USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 656 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 28 MET CE :methyl -132:sc= -1.78 (180deg=-1.4) USER MOD Set 1.2: A 33 SER OG : rot -86:sc= -2.38 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 50:sc= 0.462 USER MOD Single : A 6 SER OG : rot 52:sc= 0.188 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 152:sc= 1.21 USER MOD Single : A 16 ASN : amide:sc= -8.23! C(o=-8.2!,f=-16!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.0587 X(o=-0.059,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.407 X(o=-0.41,f=0) USER MOD Single : A 45 GLN : amide:sc= -1.76 K(o=-1.8,f=-7.9!) USER MOD Single : A 47 CYS SG : rot -44:sc= -0.151 USER MOD Single : A 48 CYS SG : rot 1:sc= -3.36! USER MOD Single : A 51 TYR OH : rot -140:sc= -1.76 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -163:sc= -1.21 USER MOD Single : A 65 THR OG1 : rot -48:sc= -4.73! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.0944 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.624 -14.612 -9.722 1.00 0.00 N ATOM 2 CA GLY A 1 6.765 -15.129 -10.458 1.00 0.00 C ATOM 3 C GLY A 1 7.832 -14.048 -10.647 1.00 0.00 C ATOM 4 O GLY A 1 7.811 -13.317 -11.636 1.00 0.00 O ATOM 0 H1 GLY A 1 4.915 -15.364 -9.607 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.935 -14.284 -8.785 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.204 -13.818 -10.246 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.193 -15.977 -9.924 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.438 -15.497 -11.431 1.00 0.00 H new ATOM 8 N SER A 2 8.738 -13.981 -9.683 1.00 0.00 N ATOM 9 CA SER A 2 9.810 -13.002 -9.731 1.00 0.00 C ATOM 10 C SER A 2 11.158 -13.690 -9.506 1.00 0.00 C ATOM 11 O SER A 2 11.224 -14.742 -8.872 1.00 0.00 O ATOM 12 CB SER A 2 9.597 -11.900 -8.691 1.00 0.00 C ATOM 13 OG SER A 2 10.559 -10.856 -8.814 1.00 0.00 O ATOM 0 H SER A 2 8.752 -14.589 -8.864 1.00 0.00 H new ATOM 0 HA SER A 2 9.806 -12.539 -10.718 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.595 -11.485 -8.803 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.654 -12.330 -7.691 1.00 0.00 H new ATOM 0 HG SER A 2 10.388 -10.172 -8.134 1.00 0.00 H new ATOM 19 N SER A 3 12.200 -13.068 -10.037 1.00 0.00 N ATOM 20 CA SER A 3 13.543 -13.607 -9.902 1.00 0.00 C ATOM 21 C SER A 3 13.938 -13.662 -8.425 1.00 0.00 C ATOM 22 O SER A 3 13.235 -13.127 -7.570 1.00 0.00 O ATOM 23 CB SER A 3 14.554 -12.773 -10.692 1.00 0.00 C ATOM 24 OG SER A 3 15.469 -13.589 -11.417 1.00 0.00 O ATOM 0 H SER A 3 12.142 -12.195 -10.562 1.00 0.00 H new ATOM 0 HA SER A 3 13.549 -14.617 -10.311 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.023 -12.120 -11.385 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.106 -12.129 -10.008 1.00 0.00 H new ATOM 0 HG SER A 3 16.096 -13.019 -11.909 1.00 0.00 H new ATOM 30 N GLY A 4 15.064 -14.314 -8.171 1.00 0.00 N ATOM 31 CA GLY A 4 15.561 -14.445 -6.812 1.00 0.00 C ATOM 32 C GLY A 4 15.843 -13.074 -6.196 1.00 0.00 C ATOM 33 O GLY A 4 16.960 -12.565 -6.288 1.00 0.00 O ATOM 0 H GLY A 4 15.645 -14.757 -8.883 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.830 -14.977 -6.204 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.473 -15.043 -6.811 1.00 0.00 H new ATOM 37 N SER A 5 14.812 -12.513 -5.581 1.00 0.00 N ATOM 38 CA SER A 5 14.935 -11.210 -4.949 1.00 0.00 C ATOM 39 C SER A 5 13.596 -10.798 -4.336 1.00 0.00 C ATOM 40 O SER A 5 12.876 -9.977 -4.903 1.00 0.00 O ATOM 41 CB SER A 5 15.407 -10.155 -5.952 1.00 0.00 C ATOM 42 OG SER A 5 14.538 -10.062 -7.077 1.00 0.00 O ATOM 0 H SER A 5 13.887 -12.937 -5.507 1.00 0.00 H new ATOM 0 HA SER A 5 15.682 -11.281 -4.159 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.465 -9.185 -5.458 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.413 -10.401 -6.291 1.00 0.00 H new ATOM 0 HG SER A 5 13.611 -9.981 -6.769 1.00 0.00 H new ATOM 48 N SER A 6 13.302 -11.385 -3.185 1.00 0.00 N ATOM 49 CA SER A 6 12.062 -11.089 -2.489 1.00 0.00 C ATOM 50 C SER A 6 12.263 -11.234 -0.979 1.00 0.00 C ATOM 51 O SER A 6 11.929 -12.267 -0.401 1.00 0.00 O ATOM 52 CB SER A 6 10.931 -12.004 -2.964 1.00 0.00 C ATOM 53 OG SER A 6 11.315 -13.376 -2.956 1.00 0.00 O ATOM 0 H SER A 6 13.902 -12.064 -2.717 1.00 0.00 H new ATOM 0 HA SER A 6 11.780 -10.061 -2.715 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.061 -11.867 -2.322 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.632 -11.717 -3.972 1.00 0.00 H new ATOM 0 HG SER A 6 11.681 -13.608 -2.077 1.00 0.00 H new ATOM 59 N GLY A 7 12.806 -10.183 -0.383 1.00 0.00 N ATOM 60 CA GLY A 7 13.055 -10.180 1.049 1.00 0.00 C ATOM 61 C GLY A 7 14.019 -9.056 1.435 1.00 0.00 C ATOM 62 O GLY A 7 15.136 -9.316 1.879 1.00 0.00 O ATOM 0 H GLY A 7 13.081 -9.327 -0.865 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.114 -10.057 1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.471 -11.141 1.352 1.00 0.00 H new ATOM 66 N GLY A 8 13.551 -7.830 1.253 1.00 0.00 N ATOM 67 CA GLY A 8 14.357 -6.665 1.577 1.00 0.00 C ATOM 68 C GLY A 8 13.519 -5.386 1.526 1.00 0.00 C ATOM 69 O GLY A 8 13.676 -4.502 2.366 1.00 0.00 O ATOM 0 H GLY A 8 12.624 -7.618 0.885 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.788 -6.782 2.571 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.188 -6.587 0.876 1.00 0.00 H new ATOM 73 N THR A 9 12.646 -5.329 0.531 1.00 0.00 N ATOM 74 CA THR A 9 11.782 -4.173 0.359 1.00 0.00 C ATOM 75 C THR A 9 10.478 -4.579 -0.329 1.00 0.00 C ATOM 76 O THR A 9 10.332 -5.719 -0.768 1.00 0.00 O ATOM 77 CB THR A 9 12.567 -3.106 -0.408 1.00 0.00 C ATOM 78 OG1 THR A 9 13.191 -3.829 -1.466 1.00 0.00 O ATOM 79 CG2 THR A 9 13.737 -2.545 0.401 1.00 0.00 C ATOM 0 H THR A 9 12.518 -6.064 -0.164 1.00 0.00 H new ATOM 0 HA THR A 9 11.488 -3.753 1.321 1.00 0.00 H new ATOM 0 HB THR A 9 11.897 -2.293 -0.687 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.720 -3.213 -2.015 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.260 -1.792 -0.189 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.361 -2.090 1.317 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.426 -3.352 0.652 1.00 0.00 H new ATOM 87 N VAL A 10 9.562 -3.624 -0.402 1.00 0.00 N ATOM 88 CA VAL A 10 8.274 -3.869 -1.029 1.00 0.00 C ATOM 89 C VAL A 10 7.880 -2.651 -1.867 1.00 0.00 C ATOM 90 O VAL A 10 8.241 -1.522 -1.536 1.00 0.00 O ATOM 91 CB VAL A 10 7.233 -4.224 0.035 1.00 0.00 C ATOM 92 CG1 VAL A 10 5.814 -4.008 -0.493 1.00 0.00 C ATOM 93 CG2 VAL A 10 7.422 -5.661 0.528 1.00 0.00 C ATOM 0 H VAL A 10 9.686 -2.680 -0.037 1.00 0.00 H new ATOM 0 HA VAL A 10 8.334 -4.723 -1.704 1.00 0.00 H new ATOM 0 HB VAL A 10 7.380 -3.556 0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.094 -4.268 0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.685 -2.962 -0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.651 -4.640 -1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.670 -5.888 1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.315 -6.350 -0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.416 -5.769 0.962 1.00 0.00 H new ATOM 103 N LYS A 11 7.145 -2.920 -2.935 1.00 0.00 N ATOM 104 CA LYS A 11 6.698 -1.860 -3.823 1.00 0.00 C ATOM 105 C LYS A 11 5.301 -1.402 -3.400 1.00 0.00 C ATOM 106 O LYS A 11 4.403 -2.222 -3.219 1.00 0.00 O ATOM 107 CB LYS A 11 6.781 -2.313 -5.282 1.00 0.00 C ATOM 108 CG LYS A 11 8.206 -2.170 -5.821 1.00 0.00 C ATOM 109 CD LYS A 11 8.579 -3.359 -6.708 1.00 0.00 C ATOM 110 CE LYS A 11 9.928 -3.951 -6.292 1.00 0.00 C ATOM 111 NZ LYS A 11 10.837 -4.036 -7.456 1.00 0.00 N ATOM 0 H LYS A 11 6.847 -3.857 -3.206 1.00 0.00 H new ATOM 0 HA LYS A 11 7.355 -0.994 -3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.461 -3.352 -5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.097 -1.720 -5.890 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.292 -1.245 -6.392 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.907 -2.098 -4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.806 -4.124 -6.641 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.623 -3.041 -7.750 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.379 -3.333 -5.515 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.780 -4.943 -5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.748 -4.440 -7.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.412 -4.644 -8.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.992 -3.084 -7.846 1.00 0.00 H new ATOM 125 N VAL A 12 5.162 -0.092 -3.255 1.00 0.00 N ATOM 126 CA VAL A 12 3.890 0.486 -2.856 1.00 0.00 C ATOM 127 C VAL A 12 3.391 1.420 -3.961 1.00 0.00 C ATOM 128 O VAL A 12 3.975 2.476 -4.196 1.00 0.00 O ATOM 129 CB VAL A 12 4.034 1.184 -1.503 1.00 0.00 C ATOM 130 CG1 VAL A 12 2.843 2.106 -1.232 1.00 0.00 C ATOM 131 CG2 VAL A 12 4.204 0.164 -0.375 1.00 0.00 C ATOM 0 H VAL A 12 5.909 0.585 -3.407 1.00 0.00 H new ATOM 0 HA VAL A 12 3.140 -0.294 -2.726 1.00 0.00 H new ATOM 0 HB VAL A 12 4.933 1.799 -1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.970 2.590 -0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.786 2.865 -2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.924 1.521 -1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.304 0.687 0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.332 -0.489 -0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.097 -0.434 -0.556 1.00 0.00 H new ATOM 141 N TYR A 13 2.316 0.996 -4.609 1.00 0.00 N ATOM 142 CA TYR A 13 1.731 1.781 -5.683 1.00 0.00 C ATOM 143 C TYR A 13 0.861 2.910 -5.126 1.00 0.00 C ATOM 144 O TYR A 13 -0.129 2.655 -4.441 1.00 0.00 O ATOM 145 CB TYR A 13 0.848 0.817 -6.477 1.00 0.00 C ATOM 146 CG TYR A 13 1.630 -0.193 -7.320 1.00 0.00 C ATOM 147 CD1 TYR A 13 2.587 0.247 -8.212 1.00 0.00 C ATOM 148 CD2 TYR A 13 1.379 -1.543 -7.188 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.323 -0.703 -9.005 1.00 0.00 C ATOM 150 CE2 TYR A 13 2.115 -2.493 -7.981 1.00 0.00 C ATOM 151 CZ TYR A 13 3.051 -2.026 -8.851 1.00 0.00 C ATOM 152 OH TYR A 13 3.746 -2.924 -9.600 1.00 0.00 O ATOM 0 H TYR A 13 1.835 0.119 -4.411 1.00 0.00 H new ATOM 0 HA TYR A 13 2.510 2.235 -6.295 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.205 0.275 -5.784 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.196 1.394 -7.132 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.784 1.304 -8.315 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.630 -1.887 -6.490 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.074 -0.372 -9.707 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.928 -3.553 -7.887 1.00 0.00 H new ATOM 0 HH TYR A 13 3.806 -3.775 -9.118 1.00 0.00 H new ATOM 162 N LEU A 14 1.262 4.133 -5.440 1.00 0.00 N ATOM 163 CA LEU A 14 0.531 5.301 -4.980 1.00 0.00 C ATOM 164 C LEU A 14 -0.517 5.686 -6.025 1.00 0.00 C ATOM 165 O LEU A 14 -0.420 5.286 -7.184 1.00 0.00 O ATOM 166 CB LEU A 14 1.498 6.435 -4.633 1.00 0.00 C ATOM 167 CG LEU A 14 2.009 6.463 -3.191 1.00 0.00 C ATOM 168 CD1 LEU A 14 3.278 7.309 -3.075 1.00 0.00 C ATOM 169 CD2 LEU A 14 0.915 6.937 -2.231 1.00 0.00 C ATOM 0 H LEU A 14 2.084 4.340 -6.007 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.005 5.076 -4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.357 6.370 -5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.003 7.384 -4.841 1.00 0.00 H new ATOM 0 HG LEU A 14 2.273 5.446 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.620 7.312 -2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.055 6.888 -3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.064 8.331 -3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.304 6.948 -1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.598 7.942 -2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.063 6.259 -2.287 1.00 0.00 H new ATOM 181 N PRO A 15 -1.523 6.478 -5.566 1.00 0.00 N ATOM 182 CA PRO A 15 -2.589 6.921 -6.448 1.00 0.00 C ATOM 183 C PRO A 15 -2.100 8.026 -7.387 1.00 0.00 C ATOM 184 O PRO A 15 -2.382 9.203 -7.166 1.00 0.00 O ATOM 185 CB PRO A 15 -3.702 7.380 -5.520 1.00 0.00 C ATOM 186 CG PRO A 15 -3.049 7.612 -4.168 1.00 0.00 C ATOM 187 CD PRO A 15 -1.671 6.972 -4.200 1.00 0.00 C ATOM 0 HA PRO A 15 -2.942 6.131 -7.111 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.168 8.293 -5.891 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.487 6.627 -5.450 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.970 8.679 -3.961 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.654 7.177 -3.372 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.893 7.695 -3.954 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.594 6.161 -3.475 1.00 0.00 H new ATOM 195 N ASN A 16 -1.376 7.608 -8.415 1.00 0.00 N ATOM 196 CA ASN A 16 -0.845 8.548 -9.388 1.00 0.00 C ATOM 197 C ASN A 16 0.178 7.835 -10.273 1.00 0.00 C ATOM 198 O ASN A 16 1.239 8.383 -10.567 1.00 0.00 O ATOM 199 CB ASN A 16 -0.140 9.717 -8.697 1.00 0.00 C ATOM 200 CG ASN A 16 0.568 9.254 -7.422 1.00 0.00 C ATOM 201 OD1 ASN A 16 0.653 8.075 -7.122 1.00 0.00 O ATOM 202 ND2 ASN A 16 1.068 10.246 -6.691 1.00 0.00 N ATOM 0 H ASN A 16 -1.145 6.631 -8.595 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.678 8.928 -9.979 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.585 10.163 -9.378 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.867 10.492 -8.453 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.558 10.041 -5.820 1.00 0.00 H new ATOM 0 HD22 ASN A 16 0.961 11.212 -7.001 1.00 0.00 H new ATOM 209 N LYS A 17 -0.176 6.622 -10.674 1.00 0.00 N ATOM 210 CA LYS A 17 0.699 5.829 -11.520 1.00 0.00 C ATOM 211 C LYS A 17 2.123 5.877 -10.962 1.00 0.00 C ATOM 212 O LYS A 17 3.089 5.700 -11.701 1.00 0.00 O ATOM 213 CB LYS A 17 0.594 6.284 -12.977 1.00 0.00 C ATOM 214 CG LYS A 17 -0.657 5.708 -13.643 1.00 0.00 C ATOM 215 CD LYS A 17 -0.333 4.414 -14.391 1.00 0.00 C ATOM 216 CE LYS A 17 -1.321 4.179 -15.535 1.00 0.00 C ATOM 217 NZ LYS A 17 -0.802 4.757 -16.795 1.00 0.00 N ATOM 0 H LYS A 17 -1.057 6.170 -10.428 1.00 0.00 H new ATOM 0 HA LYS A 17 0.389 4.784 -11.514 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.565 7.373 -13.020 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.481 5.967 -13.525 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.419 5.515 -12.888 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.073 6.439 -14.336 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.682 4.463 -14.786 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.365 3.572 -13.699 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.492 3.110 -15.662 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.283 4.629 -15.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.485 4.589 -17.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.661 5.780 -16.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.105 4.309 -17.035 1.00 0.00 H new ATOM 231 N GLN A 18 2.206 6.116 -9.661 1.00 0.00 N ATOM 232 CA GLN A 18 3.496 6.190 -8.995 1.00 0.00 C ATOM 233 C GLN A 18 3.669 5.006 -8.041 1.00 0.00 C ATOM 234 O GLN A 18 2.697 4.335 -7.697 1.00 0.00 O ATOM 235 CB GLN A 18 3.655 7.519 -8.255 1.00 0.00 C ATOM 236 CG GLN A 18 4.071 8.636 -9.215 1.00 0.00 C ATOM 237 CD GLN A 18 5.427 9.222 -8.819 1.00 0.00 C ATOM 238 OE1 GLN A 18 6.387 9.197 -9.572 1.00 0.00 O ATOM 239 NE2 GLN A 18 5.453 9.750 -7.598 1.00 0.00 N ATOM 0 H GLN A 18 1.402 6.261 -9.051 1.00 0.00 H new ATOM 0 HA GLN A 18 4.278 6.138 -9.752 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.716 7.783 -7.769 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.402 7.414 -7.468 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.122 8.246 -10.232 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.316 9.422 -9.213 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.613 9.738 -7.019 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.313 10.167 -7.241 1.00 0.00 H new ATOM 248 N ARG A 19 4.913 4.787 -7.641 1.00 0.00 N ATOM 249 CA ARG A 19 5.225 3.696 -6.734 1.00 0.00 C ATOM 250 C ARG A 19 6.409 4.072 -5.840 1.00 0.00 C ATOM 251 O ARG A 19 7.252 4.880 -6.227 1.00 0.00 O ATOM 252 CB ARG A 19 5.562 2.418 -7.505 1.00 0.00 C ATOM 253 CG ARG A 19 6.699 2.661 -8.500 1.00 0.00 C ATOM 254 CD ARG A 19 6.155 3.143 -9.846 1.00 0.00 C ATOM 255 NE ARG A 19 6.921 4.322 -10.309 1.00 0.00 N ATOM 256 CZ ARG A 19 6.970 4.732 -11.584 1.00 0.00 C ATOM 257 NH1 ARG A 19 6.297 4.063 -12.530 1.00 0.00 N ATOM 258 NH2 ARG A 19 7.692 5.812 -11.913 1.00 0.00 N ATOM 0 H ARG A 19 5.716 5.346 -7.928 1.00 0.00 H new ATOM 0 HA ARG A 19 4.344 3.513 -6.119 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.848 1.632 -6.806 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.678 2.066 -8.037 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.389 3.402 -8.096 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.266 1.741 -8.641 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.223 2.343 -10.583 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.100 3.399 -9.750 1.00 0.00 H new ATOM 0 HE ARG A 19 7.444 4.855 -9.615 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.747 3.241 -12.280 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.335 4.376 -13.500 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.204 6.322 -11.193 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.729 6.124 -12.883 1.00 0.00 H new ATOM 272 N THR A 20 6.435 3.467 -4.661 1.00 0.00 N ATOM 273 CA THR A 20 7.501 3.728 -3.710 1.00 0.00 C ATOM 274 C THR A 20 7.948 2.428 -3.039 1.00 0.00 C ATOM 275 O THR A 20 7.117 1.635 -2.599 1.00 0.00 O ATOM 276 CB THR A 20 7.003 4.783 -2.719 1.00 0.00 C ATOM 277 OG1 THR A 20 8.194 5.291 -2.125 1.00 0.00 O ATOM 278 CG2 THR A 20 6.234 4.168 -1.547 1.00 0.00 C ATOM 0 H THR A 20 5.735 2.797 -4.343 1.00 0.00 H new ATOM 0 HA THR A 20 8.387 4.121 -4.208 1.00 0.00 H new ATOM 0 HB THR A 20 6.363 5.496 -3.239 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.964 5.983 -1.470 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.903 4.959 -0.874 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.367 3.627 -1.925 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.884 3.480 -1.006 1.00 0.00 H new ATOM 286 N VAL A 21 9.259 2.248 -2.983 1.00 0.00 N ATOM 287 CA VAL A 21 9.826 1.057 -2.374 1.00 0.00 C ATOM 288 C VAL A 21 10.045 1.309 -0.880 1.00 0.00 C ATOM 289 O VAL A 21 10.716 2.267 -0.500 1.00 0.00 O ATOM 290 CB VAL A 21 11.108 0.654 -3.106 1.00 0.00 C ATOM 291 CG1 VAL A 21 11.357 -0.851 -2.986 1.00 0.00 C ATOM 292 CG2 VAL A 21 11.060 1.087 -4.573 1.00 0.00 C ATOM 0 H VAL A 21 9.945 2.907 -3.350 1.00 0.00 H new ATOM 0 HA VAL A 21 9.138 0.217 -2.465 1.00 0.00 H new ATOM 0 HB VAL A 21 11.942 1.170 -2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 21 12.274 -1.111 -3.515 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.455 -1.121 -1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.519 -1.394 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.983 0.789 -5.071 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.212 0.611 -5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.951 2.170 -4.629 1.00 0.00 H new ATOM 302 N VAL A 22 9.467 0.431 -0.074 1.00 0.00 N ATOM 303 CA VAL A 22 9.590 0.545 1.369 1.00 0.00 C ATOM 304 C VAL A 22 10.375 -0.653 1.906 1.00 0.00 C ATOM 305 O VAL A 22 10.447 -1.695 1.255 1.00 0.00 O ATOM 306 CB VAL A 22 8.205 0.686 2.003 1.00 0.00 C ATOM 307 CG1 VAL A 22 8.312 0.880 3.517 1.00 0.00 C ATOM 308 CG2 VAL A 22 7.420 1.830 1.358 1.00 0.00 C ATOM 0 H VAL A 22 8.912 -0.363 -0.393 1.00 0.00 H new ATOM 0 HA VAL A 22 10.147 1.444 1.635 1.00 0.00 H new ATOM 0 HB VAL A 22 7.658 -0.239 1.822 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.313 0.978 3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.813 0.019 3.960 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.886 1.782 3.729 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.439 1.908 1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.963 2.765 1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.298 1.632 0.293 1.00 0.00 H new ATOM 318 N THR A 23 10.942 -0.467 3.089 1.00 0.00 N ATOM 319 CA THR A 23 11.719 -1.520 3.721 1.00 0.00 C ATOM 320 C THR A 23 10.804 -2.451 4.519 1.00 0.00 C ATOM 321 O THR A 23 9.781 -2.019 5.048 1.00 0.00 O ATOM 322 CB THR A 23 12.805 -0.860 4.572 1.00 0.00 C ATOM 323 OG1 THR A 23 13.596 -0.141 3.630 1.00 0.00 O ATOM 324 CG2 THR A 23 13.777 -1.878 5.174 1.00 0.00 C ATOM 0 H THR A 23 10.879 0.397 3.627 1.00 0.00 H new ATOM 0 HA THR A 23 12.207 -2.152 2.979 1.00 0.00 H new ATOM 0 HB THR A 23 12.339 -0.285 5.372 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.324 0.319 4.098 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.527 -1.357 5.768 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.228 -2.573 5.810 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.268 -2.430 4.373 1.00 0.00 H new ATOM 332 N VAL A 24 11.205 -3.712 4.580 1.00 0.00 N ATOM 333 CA VAL A 24 10.434 -4.709 5.304 1.00 0.00 C ATOM 334 C VAL A 24 10.900 -4.748 6.761 1.00 0.00 C ATOM 335 O VAL A 24 12.010 -5.193 7.049 1.00 0.00 O ATOM 336 CB VAL A 24 10.543 -6.065 4.604 1.00 0.00 C ATOM 337 CG1 VAL A 24 9.392 -6.987 5.012 1.00 0.00 C ATOM 338 CG2 VAL A 24 10.598 -5.895 3.085 1.00 0.00 C ATOM 0 H VAL A 24 12.054 -4.067 4.140 1.00 0.00 H new ATOM 0 HA VAL A 24 9.376 -4.445 5.308 1.00 0.00 H new ATOM 0 HB VAL A 24 11.475 -6.532 4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.493 -7.944 4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.419 -7.147 6.090 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.443 -6.527 4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.675 -6.874 2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.691 -5.397 2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.466 -5.293 2.817 1.00 0.00 H new ATOM 348 N ARG A 25 10.029 -4.276 7.641 1.00 0.00 N ATOM 349 CA ARG A 25 10.338 -4.252 9.060 1.00 0.00 C ATOM 350 C ARG A 25 9.501 -5.296 9.803 1.00 0.00 C ATOM 351 O ARG A 25 9.108 -6.307 9.224 1.00 0.00 O ATOM 352 CB ARG A 25 10.066 -2.871 9.659 1.00 0.00 C ATOM 353 CG ARG A 25 10.538 -1.762 8.716 1.00 0.00 C ATOM 354 CD ARG A 25 11.417 -0.751 9.455 1.00 0.00 C ATOM 355 NE ARG A 25 12.623 -0.447 8.653 1.00 0.00 N ATOM 356 CZ ARG A 25 13.693 0.208 9.123 1.00 0.00 C ATOM 357 NH1 ARG A 25 13.713 0.633 10.393 1.00 0.00 N ATOM 358 NH2 ARG A 25 14.742 0.439 8.322 1.00 0.00 N ATOM 0 H ARG A 25 9.109 -3.907 7.398 1.00 0.00 H new ATOM 0 HA ARG A 25 11.397 -4.483 9.173 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.999 -2.759 9.853 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.576 -2.780 10.618 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.096 -2.198 7.887 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.675 -1.253 8.286 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.855 0.164 9.642 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.708 -1.151 10.426 1.00 0.00 H new ATOM 0 HE ARG A 25 12.641 -0.756 7.681 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.914 0.458 11.002 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.528 1.132 10.751 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.726 0.116 7.355 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.557 0.938 8.680 1.00 0.00 H new ATOM 372 N ASP A 26 9.254 -5.014 11.074 1.00 0.00 N ATOM 373 CA ASP A 26 8.472 -5.916 11.902 1.00 0.00 C ATOM 374 C ASP A 26 7.818 -5.123 13.036 1.00 0.00 C ATOM 375 O ASP A 26 6.627 -5.279 13.301 1.00 0.00 O ATOM 376 CB ASP A 26 9.356 -6.995 12.529 1.00 0.00 C ATOM 377 CG ASP A 26 8.795 -8.417 12.451 1.00 0.00 C ATOM 378 OD1 ASP A 26 7.874 -8.707 13.245 1.00 0.00 O ATOM 379 OD2 ASP A 26 9.300 -9.180 11.600 1.00 0.00 O ATOM 0 H ASP A 26 9.582 -4.174 11.550 1.00 0.00 H new ATOM 0 HA ASP A 26 7.721 -6.388 11.269 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.329 -6.977 12.038 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.523 -6.743 13.576 1.00 0.00 H new ATOM 384 N GLY A 27 8.627 -4.290 13.674 1.00 0.00 N ATOM 385 CA GLY A 27 8.142 -3.472 14.773 1.00 0.00 C ATOM 386 C GLY A 27 7.294 -2.307 14.258 1.00 0.00 C ATOM 387 O GLY A 27 7.587 -1.147 14.544 1.00 0.00 O ATOM 0 H GLY A 27 9.614 -4.164 13.451 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.550 -4.085 15.453 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.987 -3.087 15.344 1.00 0.00 H new ATOM 391 N MET A 28 6.260 -2.657 13.507 1.00 0.00 N ATOM 392 CA MET A 28 5.367 -1.655 12.949 1.00 0.00 C ATOM 393 C MET A 28 4.231 -2.311 12.162 1.00 0.00 C ATOM 394 O MET A 28 4.323 -3.480 11.789 1.00 0.00 O ATOM 395 CB MET A 28 6.157 -0.725 12.026 1.00 0.00 C ATOM 396 CG MET A 28 6.367 -1.364 10.652 1.00 0.00 C ATOM 397 SD MET A 28 7.707 -0.550 9.798 1.00 0.00 S ATOM 398 CE MET A 28 6.867 0.920 9.234 1.00 0.00 C ATOM 0 H MET A 28 6.021 -3.620 13.272 1.00 0.00 H new ATOM 0 HA MET A 28 4.933 -1.084 13.770 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.625 0.220 11.914 1.00 0.00 H new ATOM 0 HB3 MET A 28 7.123 -0.495 12.476 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.589 -2.425 10.765 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.452 -1.290 10.064 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.083 1.080 8.178 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.792 0.800 9.371 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.212 1.779 9.809 1.00 0.00 H new ATOM 408 N SER A 29 3.186 -1.530 11.932 1.00 0.00 N ATOM 409 CA SER A 29 2.033 -2.020 11.196 1.00 0.00 C ATOM 410 C SER A 29 2.030 -1.439 9.781 1.00 0.00 C ATOM 411 O SER A 29 3.024 -0.865 9.339 1.00 0.00 O ATOM 412 CB SER A 29 0.729 -1.669 11.917 1.00 0.00 C ATOM 413 OG SER A 29 0.491 -0.264 11.934 1.00 0.00 O ATOM 0 H SER A 29 3.114 -0.561 12.242 1.00 0.00 H new ATOM 0 HA SER A 29 2.102 -3.106 11.136 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.104 -2.172 11.426 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.768 -2.043 12.940 1.00 0.00 H new ATOM 0 HG SER A 29 -0.351 -0.080 12.401 1.00 0.00 H new ATOM 419 N VAL A 30 0.900 -1.607 9.109 1.00 0.00 N ATOM 420 CA VAL A 30 0.755 -1.107 7.752 1.00 0.00 C ATOM 421 C VAL A 30 0.529 0.406 7.793 1.00 0.00 C ATOM 422 O VAL A 30 1.042 1.137 6.947 1.00 0.00 O ATOM 423 CB VAL A 30 -0.366 -1.860 7.034 1.00 0.00 C ATOM 424 CG1 VAL A 30 -0.600 -1.290 5.633 1.00 0.00 C ATOM 425 CG2 VAL A 30 -0.069 -3.359 6.974 1.00 0.00 C ATOM 0 H VAL A 30 0.077 -2.082 9.479 1.00 0.00 H new ATOM 0 HA VAL A 30 1.665 -1.285 7.180 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.282 -1.723 7.608 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.402 -1.843 5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.879 -0.239 5.710 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.314 -1.381 5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.882 -3.871 6.459 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.864 -3.524 6.434 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.023 -3.752 7.986 1.00 0.00 H new ATOM 435 N TYR A 31 -0.240 0.831 8.785 1.00 0.00 N ATOM 436 CA TYR A 31 -0.540 2.243 8.947 1.00 0.00 C ATOM 437 C TYR A 31 0.742 3.061 9.111 1.00 0.00 C ATOM 438 O TYR A 31 1.015 3.961 8.318 1.00 0.00 O ATOM 439 CB TYR A 31 -1.369 2.354 10.229 1.00 0.00 C ATOM 440 CG TYR A 31 -1.568 3.789 10.719 1.00 0.00 C ATOM 441 CD1 TYR A 31 -2.654 4.522 10.284 1.00 0.00 C ATOM 442 CD2 TYR A 31 -0.662 4.351 11.595 1.00 0.00 C ATOM 443 CE1 TYR A 31 -2.842 5.873 10.746 1.00 0.00 C ATOM 444 CE2 TYR A 31 -0.850 5.702 12.057 1.00 0.00 C ATOM 445 CZ TYR A 31 -1.931 6.397 11.609 1.00 0.00 C ATOM 446 OH TYR A 31 -2.108 7.673 12.045 1.00 0.00 O ATOM 0 H TYR A 31 -0.664 0.222 9.485 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.068 2.626 8.073 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.345 1.901 10.058 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.882 1.777 11.015 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.362 4.082 9.597 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.188 3.778 11.934 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.688 6.457 10.414 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.149 6.153 12.743 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.381 7.913 12.657 1.00 0.00 H new ATOM 456 N ASP A 32 1.496 2.720 10.146 1.00 0.00 N ATOM 457 CA ASP A 32 2.743 3.411 10.424 1.00 0.00 C ATOM 458 C ASP A 32 3.688 3.249 9.232 1.00 0.00 C ATOM 459 O ASP A 32 4.614 4.040 9.057 1.00 0.00 O ATOM 460 CB ASP A 32 3.434 2.826 11.657 1.00 0.00 C ATOM 461 CG ASP A 32 2.916 3.350 12.998 1.00 0.00 C ATOM 462 OD1 ASP A 32 1.862 2.842 13.437 1.00 0.00 O ATOM 463 OD2 ASP A 32 3.587 4.247 13.554 1.00 0.00 O ATOM 0 H ASP A 32 1.267 1.974 10.802 1.00 0.00 H new ATOM 0 HA ASP A 32 2.513 4.461 10.603 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.320 1.742 11.639 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.502 3.035 11.590 1.00 0.00 H new ATOM 468 N SER A 33 3.422 2.220 8.442 1.00 0.00 N ATOM 469 CA SER A 33 4.236 1.944 7.271 1.00 0.00 C ATOM 470 C SER A 33 3.807 2.844 6.111 1.00 0.00 C ATOM 471 O SER A 33 4.591 3.662 5.631 1.00 0.00 O ATOM 472 CB SER A 33 4.138 0.472 6.865 1.00 0.00 C ATOM 473 OG SER A 33 5.282 -0.272 7.274 1.00 0.00 O ATOM 0 H SER A 33 2.653 1.566 8.590 1.00 0.00 H new ATOM 0 HA SER A 33 5.276 2.155 7.521 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.243 0.033 7.306 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.027 0.401 5.783 1.00 0.00 H new ATOM 0 HG SER A 33 5.982 -0.197 6.592 1.00 0.00 H new ATOM 479 N LEU A 34 2.562 2.664 5.693 1.00 0.00 N ATOM 480 CA LEU A 34 2.019 3.450 4.598 1.00 0.00 C ATOM 481 C LEU A 34 1.883 4.908 5.042 1.00 0.00 C ATOM 482 O LEU A 34 1.716 5.800 4.211 1.00 0.00 O ATOM 483 CB LEU A 34 0.712 2.835 4.095 1.00 0.00 C ATOM 484 CG LEU A 34 0.838 1.850 2.931 1.00 0.00 C ATOM 485 CD1 LEU A 34 1.546 2.497 1.739 1.00 0.00 C ATOM 486 CD2 LEU A 34 1.530 0.560 3.378 1.00 0.00 C ATOM 0 H LEU A 34 1.914 1.985 6.093 1.00 0.00 H new ATOM 0 HA LEU A 34 2.698 3.438 3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.231 2.323 4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.047 3.643 3.791 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.165 1.580 2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.622 1.775 0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.976 3.363 1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.545 2.814 2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.607 -0.123 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.528 0.792 3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.948 0.091 4.171 1.00 0.00 H new ATOM 498 N ASP A 35 1.959 5.105 6.350 1.00 0.00 N ATOM 499 CA ASP A 35 1.846 6.440 6.913 1.00 0.00 C ATOM 500 C ASP A 35 2.642 7.422 6.051 1.00 0.00 C ATOM 501 O ASP A 35 2.097 8.413 5.569 1.00 0.00 O ATOM 502 CB ASP A 35 2.414 6.488 8.333 1.00 0.00 C ATOM 503 CG ASP A 35 2.608 7.894 8.904 1.00 0.00 C ATOM 504 OD1 ASP A 35 1.635 8.676 8.830 1.00 0.00 O ATOM 505 OD2 ASP A 35 3.724 8.155 9.402 1.00 0.00 O ATOM 0 H ASP A 35 2.097 4.363 7.036 1.00 0.00 H new ATOM 0 HA ASP A 35 0.790 6.708 6.938 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.748 5.932 8.994 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.375 5.973 8.342 1.00 0.00 H new ATOM 510 N LYS A 36 3.919 7.111 5.883 1.00 0.00 N ATOM 511 CA LYS A 36 4.796 7.954 5.088 1.00 0.00 C ATOM 512 C LYS A 36 4.303 7.971 3.639 1.00 0.00 C ATOM 513 O LYS A 36 4.034 9.035 3.084 1.00 0.00 O ATOM 514 CB LYS A 36 6.251 7.505 5.237 1.00 0.00 C ATOM 515 CG LYS A 36 6.813 7.912 6.600 1.00 0.00 C ATOM 516 CD LYS A 36 7.789 9.082 6.462 1.00 0.00 C ATOM 517 CE LYS A 36 7.142 10.252 5.719 1.00 0.00 C ATOM 518 NZ LYS A 36 6.448 11.150 6.669 1.00 0.00 N ATOM 0 H LYS A 36 4.367 6.287 6.284 1.00 0.00 H new ATOM 0 HA LYS A 36 4.766 8.982 5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.315 6.423 5.122 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.855 7.947 4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.996 8.191 7.266 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.320 7.062 7.057 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.112 9.409 7.450 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.680 8.755 5.927 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.903 10.809 5.173 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.433 9.875 4.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.015 11.939 6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.708 10.619 7.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.133 11.524 7.356 1.00 0.00 H new ATOM 532 N ALA A 37 4.199 6.780 3.068 1.00 0.00 N ATOM 533 CA ALA A 37 3.744 6.645 1.695 1.00 0.00 C ATOM 534 C ALA A 37 2.607 7.636 1.440 1.00 0.00 C ATOM 535 O ALA A 37 2.438 8.118 0.321 1.00 0.00 O ATOM 536 CB ALA A 37 3.323 5.197 1.437 1.00 0.00 C ATOM 0 H ALA A 37 4.422 5.899 3.532 1.00 0.00 H new ATOM 0 HA ALA A 37 4.549 6.880 0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.982 5.095 0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.173 4.536 1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.514 4.927 2.116 1.00 0.00 H new ATOM 542 N LEU A 38 1.856 7.912 2.497 1.00 0.00 N ATOM 543 CA LEU A 38 0.740 8.837 2.401 1.00 0.00 C ATOM 544 C LEU A 38 1.231 10.254 2.703 1.00 0.00 C ATOM 545 O LEU A 38 1.231 11.115 1.825 1.00 0.00 O ATOM 546 CB LEU A 38 -0.413 8.381 3.298 1.00 0.00 C ATOM 547 CG LEU A 38 -1.022 7.018 2.966 1.00 0.00 C ATOM 548 CD1 LEU A 38 -2.306 6.782 3.764 1.00 0.00 C ATOM 549 CD2 LEU A 38 -1.249 6.871 1.460 1.00 0.00 C ATOM 0 H LEU A 38 1.999 7.511 3.424 1.00 0.00 H new ATOM 0 HA LEU A 38 0.339 8.847 1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.058 8.357 4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.203 9.131 3.250 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.312 6.246 3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.719 5.806 3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.083 6.814 4.830 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.033 7.557 3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.683 5.893 1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.929 7.650 1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.297 6.965 0.938 1.00 0.00 H new ATOM 561 N LYS A 39 1.637 10.453 3.949 1.00 0.00 N ATOM 562 CA LYS A 39 2.129 11.751 4.378 1.00 0.00 C ATOM 563 C LYS A 39 2.987 12.358 3.266 1.00 0.00 C ATOM 564 O LYS A 39 2.757 13.492 2.849 1.00 0.00 O ATOM 565 CB LYS A 39 2.854 11.632 5.719 1.00 0.00 C ATOM 566 CG LYS A 39 1.864 11.370 6.856 1.00 0.00 C ATOM 567 CD LYS A 39 2.109 12.324 8.027 1.00 0.00 C ATOM 568 CE LYS A 39 1.249 11.942 9.234 1.00 0.00 C ATOM 569 NZ LYS A 39 1.033 13.116 10.109 1.00 0.00 N ATOM 0 H LYS A 39 1.635 9.737 4.675 1.00 0.00 H new ATOM 0 HA LYS A 39 1.299 12.436 4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.582 10.822 5.672 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.409 12.549 5.919 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.844 11.492 6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.960 10.339 7.196 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.163 12.301 8.305 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.881 13.346 7.722 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.289 11.552 8.895 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.736 11.146 9.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.448 12.839 10.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.950 13.471 10.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.549 13.864 9.573 1.00 0.00 H new ATOM 583 N VAL A 40 3.959 11.577 2.818 1.00 0.00 N ATOM 584 CA VAL A 40 4.853 12.024 1.764 1.00 0.00 C ATOM 585 C VAL A 40 4.050 12.795 0.714 1.00 0.00 C ATOM 586 O VAL A 40 4.463 13.867 0.275 1.00 0.00 O ATOM 587 CB VAL A 40 5.611 10.830 1.179 1.00 0.00 C ATOM 588 CG1 VAL A 40 4.661 9.888 0.438 1.00 0.00 C ATOM 589 CG2 VAL A 40 6.746 11.296 0.266 1.00 0.00 C ATOM 0 H VAL A 40 4.147 10.637 3.166 1.00 0.00 H new ATOM 0 HA VAL A 40 5.605 12.705 2.164 1.00 0.00 H new ATOM 0 HB VAL A 40 6.054 10.275 2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.225 9.048 0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.904 9.517 1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.176 10.427 -0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.269 10.428 -0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.335 11.885 -0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.445 11.908 0.837 1.00 0.00 H new ATOM 599 N ARG A 41 2.917 12.218 0.341 1.00 0.00 N ATOM 600 CA ARG A 41 2.052 12.837 -0.650 1.00 0.00 C ATOM 601 C ARG A 41 1.085 13.812 0.025 1.00 0.00 C ATOM 602 O ARG A 41 0.709 14.825 -0.562 1.00 0.00 O ATOM 603 CB ARG A 41 1.251 11.784 -1.417 1.00 0.00 C ATOM 604 CG ARG A 41 2.179 10.839 -2.182 1.00 0.00 C ATOM 605 CD ARG A 41 1.556 10.418 -3.515 1.00 0.00 C ATOM 606 NE ARG A 41 1.280 11.613 -4.344 1.00 0.00 N ATOM 607 CZ ARG A 41 0.085 12.212 -4.423 1.00 0.00 C ATOM 608 NH1 ARG A 41 -0.953 11.732 -3.724 1.00 0.00 N ATOM 609 NH2 ARG A 41 -0.074 13.291 -5.202 1.00 0.00 N ATOM 0 H ARG A 41 2.578 11.328 0.707 1.00 0.00 H new ATOM 0 HA ARG A 41 2.686 13.377 -1.353 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.636 11.212 -0.722 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.572 12.275 -2.114 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.135 11.330 -2.362 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.383 9.956 -1.577 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.230 9.745 -4.045 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.632 9.868 -3.337 1.00 0.00 H new ATOM 0 HE ARG A 41 2.048 12.005 -4.889 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.833 10.910 -3.132 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.863 12.188 -3.784 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.715 13.656 -5.735 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.984 13.747 -5.262 1.00 0.00 H new ATOM 623 N GLY A 42 0.710 13.472 1.249 1.00 0.00 N ATOM 624 CA GLY A 42 -0.205 14.305 2.010 1.00 0.00 C ATOM 625 C GLY A 42 -1.555 13.608 2.194 1.00 0.00 C ATOM 626 O GLY A 42 -2.517 14.222 2.655 1.00 0.00 O ATOM 0 H GLY A 42 1.023 12.631 1.733 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.228 14.531 2.985 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.349 15.256 1.497 1.00 0.00 H new ATOM 630 N LEU A 43 -1.584 12.336 1.824 1.00 0.00 N ATOM 631 CA LEU A 43 -2.801 11.550 1.943 1.00 0.00 C ATOM 632 C LEU A 43 -3.109 11.316 3.423 1.00 0.00 C ATOM 633 O LEU A 43 -2.375 11.779 4.294 1.00 0.00 O ATOM 634 CB LEU A 43 -2.686 10.261 1.127 1.00 0.00 C ATOM 635 CG LEU A 43 -2.753 10.420 -0.393 1.00 0.00 C ATOM 636 CD1 LEU A 43 -2.147 9.206 -1.099 1.00 0.00 C ATOM 637 CD2 LEU A 43 -4.186 10.695 -0.853 1.00 0.00 C ATOM 0 H LEU A 43 -0.785 11.830 1.442 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.648 12.092 1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.743 9.777 1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.484 9.586 1.437 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.154 11.286 -0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.208 9.345 -2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.103 9.098 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.698 8.309 -0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.205 10.804 -1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.828 9.864 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.547 11.613 -0.390 1.00 0.00 H new ATOM 649 N ASN A 44 -4.197 10.599 3.661 1.00 0.00 N ATOM 650 CA ASN A 44 -4.612 10.298 5.021 1.00 0.00 C ATOM 651 C ASN A 44 -5.215 8.893 5.067 1.00 0.00 C ATOM 652 O ASN A 44 -5.681 8.380 4.051 1.00 0.00 O ATOM 653 CB ASN A 44 -5.678 11.285 5.502 1.00 0.00 C ATOM 654 CG ASN A 44 -5.543 11.549 7.004 1.00 0.00 C ATOM 655 OD1 ASN A 44 -4.899 12.489 7.439 1.00 0.00 O ATOM 656 ND2 ASN A 44 -6.183 10.669 7.767 1.00 0.00 N ATOM 0 H ASN A 44 -4.804 10.218 2.935 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.735 10.370 5.665 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.584 12.223 4.954 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -6.670 10.888 5.287 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.153 10.758 8.783 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.704 9.905 7.337 1.00 0.00 H new ATOM 663 N GLN A 45 -5.185 8.309 6.256 1.00 0.00 N ATOM 664 CA GLN A 45 -5.722 6.973 6.447 1.00 0.00 C ATOM 665 C GLN A 45 -7.212 7.043 6.788 1.00 0.00 C ATOM 666 O GLN A 45 -7.693 6.298 7.640 1.00 0.00 O ATOM 667 CB GLN A 45 -4.947 6.220 7.531 1.00 0.00 C ATOM 668 CG GLN A 45 -3.533 5.878 7.057 1.00 0.00 C ATOM 669 CD GLN A 45 -2.533 6.949 7.497 1.00 0.00 C ATOM 670 OE1 GLN A 45 -2.770 8.141 7.386 1.00 0.00 O ATOM 671 NE2 GLN A 45 -1.404 6.460 8.002 1.00 0.00 N ATOM 0 H GLN A 45 -4.797 8.737 7.097 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.608 6.421 5.514 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.894 6.828 8.434 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.478 5.305 7.793 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.235 4.910 7.459 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.521 5.789 5.971 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.269 5.451 8.067 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.673 7.094 8.325 1.00 0.00 H new ATOM 680 N ASP A 46 -7.900 7.946 6.105 1.00 0.00 N ATOM 681 CA ASP A 46 -9.326 8.123 6.324 1.00 0.00 C ATOM 682 C ASP A 46 -10.064 7.982 4.992 1.00 0.00 C ATOM 683 O ASP A 46 -11.097 7.318 4.918 1.00 0.00 O ATOM 684 CB ASP A 46 -9.627 9.514 6.887 1.00 0.00 C ATOM 685 CG ASP A 46 -10.823 9.581 7.839 1.00 0.00 C ATOM 686 OD1 ASP A 46 -11.959 9.632 7.320 1.00 0.00 O ATOM 687 OD2 ASP A 46 -10.574 9.580 9.064 1.00 0.00 O ATOM 0 H ASP A 46 -7.497 8.563 5.400 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.655 7.366 7.036 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.743 9.876 7.412 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.805 10.195 6.055 1.00 0.00 H new ATOM 692 N CYS A 47 -9.505 8.617 3.972 1.00 0.00 N ATOM 693 CA CYS A 47 -10.098 8.570 2.646 1.00 0.00 C ATOM 694 C CYS A 47 -9.114 7.872 1.705 1.00 0.00 C ATOM 695 O CYS A 47 -8.989 8.249 0.541 1.00 0.00 O ATOM 696 CB CYS A 47 -10.475 9.966 2.145 1.00 0.00 C ATOM 697 SG CYS A 47 -11.657 9.833 0.755 1.00 0.00 S ATOM 0 H CYS A 47 -8.648 9.167 4.037 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.029 8.005 2.681 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -10.918 10.545 2.955 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.581 10.500 1.823 1.00 0.00 H new ATOM 0 HG CYS A 47 -11.268 8.895 -0.057 1.00 0.00 H new ATOM 703 N CYS A 48 -8.440 6.866 2.244 1.00 0.00 N ATOM 704 CA CYS A 48 -7.472 6.113 1.466 1.00 0.00 C ATOM 705 C CYS A 48 -7.616 4.632 1.825 1.00 0.00 C ATOM 706 O CYS A 48 -8.139 4.295 2.886 1.00 0.00 O ATOM 707 CB CYS A 48 -6.046 6.619 1.695 1.00 0.00 C ATOM 708 SG CYS A 48 -5.869 8.314 1.028 1.00 0.00 S ATOM 0 H CYS A 48 -8.546 6.555 3.210 1.00 0.00 H new ATOM 0 HA CYS A 48 -7.670 6.250 0.403 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.816 6.613 2.760 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.333 5.952 1.211 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.006 8.708 0.537 1.00 0.00 H new ATOM 714 N VAL A 49 -7.142 3.788 0.920 1.00 0.00 N ATOM 715 CA VAL A 49 -7.212 2.352 1.127 1.00 0.00 C ATOM 716 C VAL A 49 -6.010 1.685 0.454 1.00 0.00 C ATOM 717 O VAL A 49 -5.467 2.211 -0.516 1.00 0.00 O ATOM 718 CB VAL A 49 -8.553 1.815 0.624 1.00 0.00 C ATOM 719 CG1 VAL A 49 -8.823 2.272 -0.812 1.00 0.00 C ATOM 720 CG2 VAL A 49 -8.609 0.290 0.733 1.00 0.00 C ATOM 0 H VAL A 49 -6.708 4.072 0.042 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.162 2.117 2.190 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.338 2.225 1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.782 1.877 -1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.847 3.361 -0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.032 1.904 -1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.573 -0.066 0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.811 -0.147 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.483 -0.005 1.775 1.00 0.00 H new ATOM 730 N VAL A 50 -5.631 0.537 0.996 1.00 0.00 N ATOM 731 CA VAL A 50 -4.504 -0.207 0.460 1.00 0.00 C ATOM 732 C VAL A 50 -4.970 -1.606 0.050 1.00 0.00 C ATOM 733 O VAL A 50 -5.513 -2.347 0.868 1.00 0.00 O ATOM 734 CB VAL A 50 -3.362 -0.232 1.478 1.00 0.00 C ATOM 735 CG1 VAL A 50 -2.137 -0.954 0.911 1.00 0.00 C ATOM 736 CG2 VAL A 50 -3.002 1.184 1.934 1.00 0.00 C ATOM 0 H VAL A 50 -6.084 0.104 1.801 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.115 0.281 -0.434 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.704 -0.788 2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.340 -0.957 1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.404 -1.981 0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.794 -0.439 0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.188 1.137 2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.689 1.775 1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.872 1.649 2.397 1.00 0.00 H new ATOM 746 N TYR A 51 -4.741 -1.923 -1.215 1.00 0.00 N ATOM 747 CA TYR A 51 -5.131 -3.220 -1.744 1.00 0.00 C ATOM 748 C TYR A 51 -3.923 -4.154 -1.851 1.00 0.00 C ATOM 749 O TYR A 51 -2.834 -3.725 -2.228 1.00 0.00 O ATOM 750 CB TYR A 51 -5.682 -2.955 -3.146 1.00 0.00 C ATOM 751 CG TYR A 51 -6.551 -1.700 -3.246 1.00 0.00 C ATOM 752 CD1 TYR A 51 -7.490 -1.431 -2.271 1.00 0.00 C ATOM 753 CD2 TYR A 51 -6.397 -0.837 -4.312 1.00 0.00 C ATOM 754 CE1 TYR A 51 -8.308 -0.250 -2.365 1.00 0.00 C ATOM 755 CE2 TYR A 51 -7.215 0.344 -4.407 1.00 0.00 C ATOM 756 CZ TYR A 51 -8.130 0.579 -3.429 1.00 0.00 C ATOM 757 OH TYR A 51 -8.903 1.695 -3.518 1.00 0.00 O ATOM 0 H TYR A 51 -4.290 -1.305 -1.890 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.862 -3.697 -1.091 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.848 -2.863 -3.842 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.269 -3.817 -3.464 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.611 -2.107 -1.437 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.663 -1.048 -5.075 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.046 -0.027 -1.608 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.104 1.027 -5.236 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.171 1.834 -4.450 1.00 0.00 H new ATOM 767 N ARG A 52 -4.158 -5.413 -1.512 1.00 0.00 N ATOM 768 CA ARG A 52 -3.103 -6.411 -1.566 1.00 0.00 C ATOM 769 C ARG A 52 -3.278 -7.302 -2.797 1.00 0.00 C ATOM 770 O ARG A 52 -4.367 -7.815 -3.047 1.00 0.00 O ATOM 771 CB ARG A 52 -3.107 -7.284 -0.309 1.00 0.00 C ATOM 772 CG ARG A 52 -3.254 -6.429 0.951 1.00 0.00 C ATOM 773 CD ARG A 52 -2.277 -6.882 2.038 1.00 0.00 C ATOM 774 NE ARG A 52 -2.224 -8.360 2.088 1.00 0.00 N ATOM 775 CZ ARG A 52 -3.133 -9.124 2.709 1.00 0.00 C ATOM 776 NH1 ARG A 52 -4.171 -8.554 3.336 1.00 0.00 N ATOM 777 NH2 ARG A 52 -3.004 -10.457 2.702 1.00 0.00 N ATOM 0 H ARG A 52 -5.063 -5.765 -1.199 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.151 -5.884 -1.627 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.925 -8.002 -0.363 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.182 -7.858 -0.258 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.073 -5.382 0.708 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.276 -6.497 1.324 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.284 -6.481 1.836 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.589 -6.488 3.005 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.447 -8.827 1.620 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.269 -7.539 3.341 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.863 -9.135 3.809 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.214 -10.890 2.224 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.696 -11.039 3.175 1.00 0.00 H new ATOM 791 N LEU A 53 -2.188 -7.458 -3.534 1.00 0.00 N ATOM 792 CA LEU A 53 -2.206 -8.278 -4.734 1.00 0.00 C ATOM 793 C LEU A 53 -2.083 -9.751 -4.341 1.00 0.00 C ATOM 794 O LEU A 53 -0.990 -10.228 -4.041 1.00 0.00 O ATOM 795 CB LEU A 53 -1.132 -7.812 -5.718 1.00 0.00 C ATOM 796 CG LEU A 53 -1.633 -7.057 -6.951 1.00 0.00 C ATOM 797 CD1 LEU A 53 -1.865 -8.014 -8.122 1.00 0.00 C ATOM 798 CD2 LEU A 53 -2.884 -6.239 -6.622 1.00 0.00 C ATOM 0 H LEU A 53 -1.286 -7.030 -3.323 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.155 -8.166 -5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.432 -7.170 -5.183 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.572 -8.685 -6.054 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.860 -6.353 -7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.221 -7.452 -8.986 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.930 -8.514 -8.374 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.610 -8.758 -7.841 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.220 -5.712 -7.515 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.674 -6.906 -6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.651 -5.516 -5.840 1.00 0.00 H new ATOM 810 N ILE A 54 -3.220 -10.432 -4.356 1.00 0.00 N ATOM 811 CA ILE A 54 -3.253 -11.841 -4.005 1.00 0.00 C ATOM 812 C ILE A 54 -3.745 -12.650 -5.207 1.00 0.00 C ATOM 813 O ILE A 54 -4.950 -12.772 -5.426 1.00 0.00 O ATOM 814 CB ILE A 54 -4.081 -12.059 -2.737 1.00 0.00 C ATOM 815 CG1 ILE A 54 -3.312 -11.602 -1.495 1.00 0.00 C ATOM 816 CG2 ILE A 54 -4.540 -13.514 -2.624 1.00 0.00 C ATOM 817 CD1 ILE A 54 -3.882 -10.292 -0.948 1.00 0.00 C ATOM 0 H ILE A 54 -4.125 -10.033 -4.606 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.251 -12.198 -3.768 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.978 -11.444 -2.805 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.363 -12.374 -0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.259 -11.469 -1.743 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.126 -13.641 -1.714 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.152 -13.771 -3.489 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.669 -14.169 -2.589 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.318 -9.990 -0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.807 -9.516 -1.710 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.928 -10.435 -0.678 1.00 0.00 H new ATOM 829 N LYS A 55 -2.789 -13.182 -5.954 1.00 0.00 N ATOM 830 CA LYS A 55 -3.110 -13.976 -7.128 1.00 0.00 C ATOM 831 C LYS A 55 -3.338 -13.045 -8.320 1.00 0.00 C ATOM 832 O LYS A 55 -2.743 -13.231 -9.381 1.00 0.00 O ATOM 833 CB LYS A 55 -4.290 -14.906 -6.839 1.00 0.00 C ATOM 834 CG LYS A 55 -3.992 -16.332 -7.307 1.00 0.00 C ATOM 835 CD LYS A 55 -3.580 -17.220 -6.131 1.00 0.00 C ATOM 836 CE LYS A 55 -2.091 -17.060 -5.818 1.00 0.00 C ATOM 837 NZ LYS A 55 -1.642 -18.111 -4.879 1.00 0.00 N ATOM 0 H LYS A 55 -1.791 -13.079 -5.769 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.276 -14.628 -7.387 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.503 -14.907 -5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.183 -14.534 -7.342 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.873 -16.751 -7.792 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.196 -16.315 -8.051 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.170 -16.962 -5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.796 -18.262 -6.365 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.512 -17.116 -6.740 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.908 -16.076 -5.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.629 -17.987 -4.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.182 -18.039 -3.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.798 -19.047 -5.305 1.00 0.00 H new ATOM 851 N GLY A 56 -4.202 -12.063 -8.107 1.00 0.00 N ATOM 852 CA GLY A 56 -4.516 -11.103 -9.152 1.00 0.00 C ATOM 853 C GLY A 56 -5.807 -10.347 -8.831 1.00 0.00 C ATOM 854 O GLY A 56 -6.620 -10.096 -9.720 1.00 0.00 O ATOM 0 H GLY A 56 -4.694 -11.911 -7.227 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.694 -10.396 -9.261 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.620 -11.620 -10.106 1.00 0.00 H new ATOM 858 N ARG A 57 -5.955 -10.005 -7.560 1.00 0.00 N ATOM 859 CA ARG A 57 -7.133 -9.283 -7.111 1.00 0.00 C ATOM 860 C ARG A 57 -6.769 -8.329 -5.972 1.00 0.00 C ATOM 861 O ARG A 57 -5.942 -8.657 -5.123 1.00 0.00 O ATOM 862 CB ARG A 57 -8.221 -10.246 -6.633 1.00 0.00 C ATOM 863 CG ARG A 57 -9.220 -10.545 -7.752 1.00 0.00 C ATOM 864 CD ARG A 57 -10.175 -9.368 -7.963 1.00 0.00 C ATOM 865 NE ARG A 57 -11.486 -9.860 -8.443 1.00 0.00 N ATOM 866 CZ ARG A 57 -11.712 -10.301 -9.688 1.00 0.00 C ATOM 867 NH1 ARG A 57 -10.717 -10.316 -10.585 1.00 0.00 N ATOM 868 NH2 ARG A 57 -12.934 -10.729 -10.036 1.00 0.00 N ATOM 0 H ARG A 57 -5.278 -10.215 -6.826 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.515 -8.713 -7.958 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.765 -11.175 -6.291 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.744 -9.814 -5.780 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.683 -10.753 -8.678 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.790 -11.441 -7.506 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.302 -8.820 -7.029 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.752 -8.671 -8.686 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.266 -9.864 -7.785 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.787 -9.992 -10.320 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.890 -10.652 -11.533 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.692 -10.719 -9.353 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.106 -11.065 -10.984 1.00 0.00 H new ATOM 882 N LYS A 58 -7.405 -7.166 -5.990 1.00 0.00 N ATOM 883 CA LYS A 58 -7.158 -6.162 -4.969 1.00 0.00 C ATOM 884 C LYS A 58 -7.792 -6.615 -3.652 1.00 0.00 C ATOM 885 O LYS A 58 -9.014 -6.616 -3.515 1.00 0.00 O ATOM 886 CB LYS A 58 -7.638 -4.788 -5.442 1.00 0.00 C ATOM 887 CG LYS A 58 -6.582 -4.111 -6.318 1.00 0.00 C ATOM 888 CD LYS A 58 -6.970 -4.178 -7.796 1.00 0.00 C ATOM 889 CE LYS A 58 -6.299 -3.056 -8.591 1.00 0.00 C ATOM 890 NZ LYS A 58 -7.195 -2.577 -9.667 1.00 0.00 N ATOM 0 H LYS A 58 -8.091 -6.897 -6.696 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.088 -6.056 -4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.566 -4.896 -6.003 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.858 -4.159 -4.580 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.467 -3.070 -6.016 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.617 -4.595 -6.170 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.680 -5.144 -8.208 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.053 -4.101 -7.895 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.047 -2.231 -7.925 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.364 -3.416 -9.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.725 -1.816 -10.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.415 -3.363 -10.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.076 -2.215 -9.250 1.00 0.00 H new ATOM 904 N THR A 59 -6.931 -6.988 -2.716 1.00 0.00 N ATOM 905 CA THR A 59 -7.391 -7.442 -1.415 1.00 0.00 C ATOM 906 C THR A 59 -7.219 -6.335 -0.373 1.00 0.00 C ATOM 907 O THR A 59 -6.130 -6.153 0.171 1.00 0.00 O ATOM 908 CB THR A 59 -6.636 -8.726 -1.068 1.00 0.00 C ATOM 909 OG1 THR A 59 -7.398 -9.757 -1.690 1.00 0.00 O ATOM 910 CG2 THR A 59 -6.704 -9.061 0.424 1.00 0.00 C ATOM 0 H THR A 59 -5.918 -6.985 -2.833 1.00 0.00 H new ATOM 0 HA THR A 59 -8.457 -7.669 -1.429 1.00 0.00 H new ATOM 0 HB THR A 59 -5.594 -8.626 -1.371 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.977 -10.625 -1.516 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.152 -9.981 0.616 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.264 -8.247 1.000 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.745 -9.194 0.720 1.00 0.00 H new ATOM 918 N VAL A 60 -8.309 -5.624 -0.126 1.00 0.00 N ATOM 919 CA VAL A 60 -8.292 -4.540 0.842 1.00 0.00 C ATOM 920 C VAL A 60 -7.528 -4.987 2.089 1.00 0.00 C ATOM 921 O VAL A 60 -7.740 -6.091 2.589 1.00 0.00 O ATOM 922 CB VAL A 60 -9.722 -4.088 1.146 1.00 0.00 C ATOM 923 CG1 VAL A 60 -9.743 -3.070 2.288 1.00 0.00 C ATOM 924 CG2 VAL A 60 -10.397 -3.523 -0.105 1.00 0.00 C ATOM 0 H VAL A 60 -9.210 -5.777 -0.579 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.771 -3.673 0.436 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.289 -4.962 1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.771 -2.765 2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.321 -3.522 3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.152 -2.197 2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.412 -3.209 0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.830 -2.666 -0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.431 -4.290 -0.878 1.00 0.00 H new ATOM 934 N THR A 61 -6.654 -4.107 2.556 1.00 0.00 N ATOM 935 CA THR A 61 -5.857 -4.398 3.736 1.00 0.00 C ATOM 936 C THR A 61 -6.297 -3.517 4.907 1.00 0.00 C ATOM 937 O THR A 61 -6.840 -2.432 4.703 1.00 0.00 O ATOM 938 CB THR A 61 -4.383 -4.225 3.365 1.00 0.00 C ATOM 939 OG1 THR A 61 -3.694 -5.078 4.275 1.00 0.00 O ATOM 940 CG2 THR A 61 -3.857 -2.826 3.695 1.00 0.00 C ATOM 0 H THR A 61 -6.480 -3.193 2.139 1.00 0.00 H new ATOM 0 HA THR A 61 -6.004 -5.425 4.070 1.00 0.00 H new ATOM 0 HB THR A 61 -4.251 -4.421 2.301 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.745 -4.835 4.296 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.807 -2.756 3.412 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.432 -2.082 3.144 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.958 -2.642 4.765 1.00 0.00 H new ATOM 948 N ALA A 62 -6.046 -4.015 6.108 1.00 0.00 N ATOM 949 CA ALA A 62 -6.409 -3.287 7.312 1.00 0.00 C ATOM 950 C ALA A 62 -5.227 -2.424 7.757 1.00 0.00 C ATOM 951 O ALA A 62 -4.074 -2.836 7.639 1.00 0.00 O ATOM 952 CB ALA A 62 -6.849 -4.275 8.394 1.00 0.00 C ATOM 0 H ALA A 62 -5.595 -4.915 6.274 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.250 -2.621 7.118 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.121 -3.728 9.297 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.710 -4.843 8.040 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.030 -4.959 8.617 1.00 0.00 H new ATOM 958 N TRP A 63 -5.553 -1.243 8.260 1.00 0.00 N ATOM 959 CA TRP A 63 -4.533 -0.318 8.723 1.00 0.00 C ATOM 960 C TRP A 63 -3.904 -0.904 9.990 1.00 0.00 C ATOM 961 O TRP A 63 -2.803 -0.516 10.377 1.00 0.00 O ATOM 962 CB TRP A 63 -5.115 1.080 8.937 1.00 0.00 C ATOM 963 CG TRP A 63 -5.548 1.778 7.645 1.00 0.00 C ATOM 964 CD1 TRP A 63 -6.788 2.105 7.260 1.00 0.00 C ATOM 965 CD2 TRP A 63 -4.684 2.224 6.579 1.00 0.00 C ATOM 966 NE1 TRP A 63 -6.788 2.727 6.028 1.00 0.00 N ATOM 967 CE2 TRP A 63 -5.467 2.801 5.601 1.00 0.00 C ATOM 968 CE3 TRP A 63 -3.287 2.142 6.445 1.00 0.00 C ATOM 969 CZ2 TRP A 63 -4.945 3.342 4.419 1.00 0.00 C ATOM 970 CZ3 TRP A 63 -2.780 2.687 5.259 1.00 0.00 C ATOM 971 CH2 TRP A 63 -3.555 3.272 4.264 1.00 0.00 C ATOM 0 H TRP A 63 -6.510 -0.905 8.357 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.754 -0.196 7.971 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.974 1.007 9.604 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.372 1.699 9.441 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.677 1.907 7.841 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.606 3.069 5.524 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.655 1.694 7.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -5.580 3.789 3.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -1.711 2.650 5.106 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -3.087 3.671 3.376 1.00 0.00 H new ATOM 982 N ASP A 64 -4.631 -1.828 10.600 1.00 0.00 N ATOM 983 CA ASP A 64 -4.159 -2.471 11.814 1.00 0.00 C ATOM 984 C ASP A 64 -3.156 -3.567 11.449 1.00 0.00 C ATOM 985 O ASP A 64 -2.147 -3.741 12.130 1.00 0.00 O ATOM 986 CB ASP A 64 -5.314 -3.122 12.578 1.00 0.00 C ATOM 987 CG ASP A 64 -5.153 -3.142 14.099 1.00 0.00 C ATOM 988 OD1 ASP A 64 -4.428 -2.259 14.605 1.00 0.00 O ATOM 989 OD2 ASP A 64 -5.760 -4.041 14.722 1.00 0.00 O ATOM 0 H ASP A 64 -5.544 -2.147 10.276 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.697 -1.709 12.441 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.236 -2.594 12.332 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.430 -4.147 12.226 1.00 0.00 H new ATOM 994 N THR A 65 -3.469 -4.277 10.376 1.00 0.00 N ATOM 995 CA THR A 65 -2.608 -5.352 9.912 1.00 0.00 C ATOM 996 C THR A 65 -1.137 -4.961 10.068 1.00 0.00 C ATOM 997 O THR A 65 -0.806 -3.777 10.104 1.00 0.00 O ATOM 998 CB THR A 65 -2.999 -5.683 8.470 1.00 0.00 C ATOM 999 OG1 THR A 65 -4.424 -5.653 8.482 1.00 0.00 O ATOM 1000 CG2 THR A 65 -2.659 -7.125 8.088 1.00 0.00 C ATOM 0 H THR A 65 -4.307 -4.129 9.814 1.00 0.00 H new ATOM 0 HA THR A 65 -2.739 -6.251 10.514 1.00 0.00 H new ATOM 0 HB THR A 65 -2.492 -4.999 7.790 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.756 -6.175 9.242 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.957 -7.308 7.056 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.586 -7.285 8.190 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.192 -7.811 8.746 1.00 0.00 H new ATOM 1008 N ALA A 66 -0.293 -5.979 10.155 1.00 0.00 N ATOM 1009 CA ALA A 66 1.135 -5.756 10.306 1.00 0.00 C ATOM 1010 C ALA A 66 1.769 -5.588 8.924 1.00 0.00 C ATOM 1011 O ALA A 66 1.168 -5.949 7.913 1.00 0.00 O ATOM 1012 CB ALA A 66 1.752 -6.914 11.093 1.00 0.00 C ATOM 0 H ALA A 66 -0.571 -6.960 10.124 1.00 0.00 H new ATOM 0 HA ALA A 66 1.323 -4.842 10.869 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.823 -6.747 11.206 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.288 -6.973 12.077 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.585 -7.848 10.557 1.00 0.00 H new ATOM 1018 N ILE A 67 2.976 -5.040 8.924 1.00 0.00 N ATOM 1019 CA ILE A 67 3.698 -4.820 7.683 1.00 0.00 C ATOM 1020 C ILE A 67 4.652 -5.991 7.438 1.00 0.00 C ATOM 1021 O ILE A 67 5.285 -6.071 6.386 1.00 0.00 O ATOM 1022 CB ILE A 67 4.391 -3.456 7.701 1.00 0.00 C ATOM 1023 CG1 ILE A 67 4.927 -3.095 6.314 1.00 0.00 C ATOM 1024 CG2 ILE A 67 5.486 -3.411 8.769 1.00 0.00 C ATOM 1025 CD1 ILE A 67 3.789 -2.701 5.371 1.00 0.00 C ATOM 0 H ILE A 67 3.472 -4.742 9.764 1.00 0.00 H new ATOM 0 HA ILE A 67 3.007 -4.790 6.841 1.00 0.00 H new ATOM 0 HB ILE A 67 3.652 -2.701 7.967 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.636 -2.272 6.398 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.471 -3.943 5.898 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.963 -2.431 8.760 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.046 -3.592 9.750 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.231 -4.178 8.559 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.198 -2.449 4.392 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.095 -3.535 5.270 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.262 -1.837 5.777 1.00 0.00 H new ATOM 1037 N ALA A 68 4.725 -6.870 8.427 1.00 0.00 N ATOM 1038 CA ALA A 68 5.590 -8.033 8.332 1.00 0.00 C ATOM 1039 C ALA A 68 5.074 -8.959 7.229 1.00 0.00 C ATOM 1040 O ALA A 68 5.825 -9.340 6.332 1.00 0.00 O ATOM 1041 CB ALA A 68 5.661 -8.729 9.693 1.00 0.00 C ATOM 0 H ALA A 68 4.199 -6.800 9.298 1.00 0.00 H new ATOM 0 HA ALA A 68 6.604 -7.736 8.065 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.310 -9.602 9.622 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.062 -8.038 10.435 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.662 -9.044 9.993 1.00 0.00 H new ATOM 1047 N PRO A 69 3.763 -9.303 7.334 1.00 0.00 N ATOM 1048 CA PRO A 69 3.137 -10.177 6.357 1.00 0.00 C ATOM 1049 C PRO A 69 2.873 -9.433 5.046 1.00 0.00 C ATOM 1050 O PRO A 69 1.731 -9.345 4.598 1.00 0.00 O ATOM 1051 CB PRO A 69 1.865 -10.670 7.027 1.00 0.00 C ATOM 1052 CG PRO A 69 1.589 -9.699 8.162 1.00 0.00 C ATOM 1053 CD PRO A 69 2.844 -8.870 8.383 1.00 0.00 C ATOM 0 HA PRO A 69 3.773 -11.016 6.075 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.035 -10.692 6.321 1.00 0.00 H new ATOM 0 HB3 PRO A 69 1.990 -11.685 7.403 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.745 -9.055 7.916 1.00 0.00 H new ATOM 0 HG3 PRO A 69 1.324 -10.240 9.071 1.00 0.00 H new ATOM 0 HD2 PRO A 69 2.632 -7.803 8.309 1.00 0.00 H new ATOM 0 HD3 PRO A 69 3.264 -9.043 9.374 1.00 0.00 H new ATOM 1061 N LEU A 70 3.948 -8.918 4.468 1.00 0.00 N ATOM 1062 CA LEU A 70 3.847 -8.185 3.218 1.00 0.00 C ATOM 1063 C LEU A 70 5.026 -8.556 2.316 1.00 0.00 C ATOM 1064 O LEU A 70 4.850 -8.790 1.122 1.00 0.00 O ATOM 1065 CB LEU A 70 3.726 -6.683 3.485 1.00 0.00 C ATOM 1066 CG LEU A 70 2.323 -6.172 3.820 1.00 0.00 C ATOM 1067 CD1 LEU A 70 1.302 -6.659 2.790 1.00 0.00 C ATOM 1068 CD2 LEU A 70 1.926 -6.556 5.247 1.00 0.00 C ATOM 0 H LEU A 70 4.894 -8.994 4.843 1.00 0.00 H new ATOM 0 HA LEU A 70 2.938 -8.465 2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.391 -6.426 4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.086 -6.148 2.606 1.00 0.00 H new ATOM 0 HG LEU A 70 2.335 -5.083 3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.313 -6.282 3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.580 -6.294 1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.284 -7.749 2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.925 -6.181 5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.936 -7.641 5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.634 -6.120 5.952 1.00 0.00 H new ATOM 1080 N ASP A 71 6.203 -8.598 2.924 1.00 0.00 N ATOM 1081 CA ASP A 71 7.411 -8.937 2.191 1.00 0.00 C ATOM 1082 C ASP A 71 7.065 -9.922 1.073 1.00 0.00 C ATOM 1083 O ASP A 71 6.629 -11.040 1.339 1.00 0.00 O ATOM 1084 CB ASP A 71 8.441 -9.603 3.106 1.00 0.00 C ATOM 1085 CG ASP A 71 9.831 -9.782 2.492 1.00 0.00 C ATOM 1086 OD1 ASP A 71 10.309 -8.805 1.876 1.00 0.00 O ATOM 1087 OD2 ASP A 71 10.384 -10.891 2.653 1.00 0.00 O ATOM 0 H ASP A 71 6.345 -8.403 3.915 1.00 0.00 H new ATOM 0 HA ASP A 71 7.830 -8.016 1.786 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.535 -9.009 4.015 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.063 -10.581 3.403 1.00 0.00 H new ATOM 1092 N GLY A 72 7.273 -9.469 -0.155 1.00 0.00 N ATOM 1093 CA GLY A 72 6.988 -10.297 -1.316 1.00 0.00 C ATOM 1094 C GLY A 72 5.534 -10.133 -1.763 1.00 0.00 C ATOM 1095 O GLY A 72 4.818 -11.118 -1.933 1.00 0.00 O ATOM 0 H GLY A 72 7.635 -8.540 -0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.656 -10.026 -2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.183 -11.343 -1.078 1.00 0.00 H new ATOM 1099 N GLU A 73 5.141 -8.880 -1.940 1.00 0.00 N ATOM 1100 CA GLU A 73 3.785 -8.574 -2.364 1.00 0.00 C ATOM 1101 C GLU A 73 3.735 -7.197 -3.030 1.00 0.00 C ATOM 1102 O GLU A 73 4.772 -6.632 -3.374 1.00 0.00 O ATOM 1103 CB GLU A 73 2.812 -8.649 -1.186 1.00 0.00 C ATOM 1104 CG GLU A 73 3.051 -7.500 -0.204 1.00 0.00 C ATOM 1105 CD GLU A 73 2.184 -6.289 -0.556 1.00 0.00 C ATOM 1106 OE1 GLU A 73 0.945 -6.451 -0.531 1.00 0.00 O ATOM 1107 OE2 GLU A 73 2.781 -5.229 -0.842 1.00 0.00 O ATOM 0 H GLU A 73 5.738 -8.065 -1.798 1.00 0.00 H new ATOM 0 HA GLU A 73 3.477 -9.321 -3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.787 -8.611 -1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.931 -9.603 -0.672 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.826 -7.831 0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.103 -7.216 -0.220 1.00 0.00 H new ATOM 1114 N GLU A 74 2.519 -6.697 -3.192 1.00 0.00 N ATOM 1115 CA GLU A 74 2.320 -5.398 -3.810 1.00 0.00 C ATOM 1116 C GLU A 74 1.060 -4.732 -3.253 1.00 0.00 C ATOM 1117 O GLU A 74 -0.048 -5.224 -3.458 1.00 0.00 O ATOM 1118 CB GLU A 74 2.248 -5.521 -5.334 1.00 0.00 C ATOM 1119 CG GLU A 74 3.615 -5.265 -5.970 1.00 0.00 C ATOM 1120 CD GLU A 74 3.645 -5.752 -7.420 1.00 0.00 C ATOM 1121 OE1 GLU A 74 2.995 -6.786 -7.685 1.00 0.00 O ATOM 1122 OE2 GLU A 74 4.317 -5.079 -8.231 1.00 0.00 O ATOM 0 H GLU A 74 1.661 -7.169 -2.906 1.00 0.00 H new ATOM 0 HA GLU A 74 3.176 -4.768 -3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.897 -6.517 -5.606 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.522 -4.809 -5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.842 -4.199 -5.936 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.389 -5.774 -5.395 1.00 0.00 H new ATOM 1129 N LEU A 75 1.273 -3.623 -2.559 1.00 0.00 N ATOM 1130 CA LEU A 75 0.168 -2.885 -1.971 1.00 0.00 C ATOM 1131 C LEU A 75 -0.191 -1.705 -2.877 1.00 0.00 C ATOM 1132 O LEU A 75 0.693 -1.010 -3.375 1.00 0.00 O ATOM 1133 CB LEU A 75 0.500 -2.479 -0.534 1.00 0.00 C ATOM 1134 CG LEU A 75 0.379 -3.582 0.519 1.00 0.00 C ATOM 1135 CD1 LEU A 75 0.623 -3.028 1.924 1.00 0.00 C ATOM 1136 CD2 LEU A 75 -0.969 -4.298 0.412 1.00 0.00 C ATOM 0 H LEU A 75 2.194 -3.218 -2.391 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.718 -3.516 -1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.519 -2.094 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.157 -1.658 -0.248 1.00 0.00 H new ATOM 0 HG LEU A 75 1.154 -4.324 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.531 -3.833 2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.625 -2.602 1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.113 -2.254 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.028 -5.077 1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.775 -3.580 0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.065 -4.747 -0.576 1.00 0.00 H new ATOM 1148 N ILE A 76 -1.489 -1.515 -3.062 1.00 0.00 N ATOM 1149 CA ILE A 76 -1.975 -0.431 -3.898 1.00 0.00 C ATOM 1150 C ILE A 76 -2.749 0.566 -3.034 1.00 0.00 C ATOM 1151 O ILE A 76 -3.847 0.267 -2.567 1.00 0.00 O ATOM 1152 CB ILE A 76 -2.783 -0.983 -5.074 1.00 0.00 C ATOM 1153 CG1 ILE A 76 -1.876 -1.706 -6.072 1.00 0.00 C ATOM 1154 CG2 ILE A 76 -3.604 0.122 -5.742 1.00 0.00 C ATOM 1155 CD1 ILE A 76 -2.700 -2.506 -7.083 1.00 0.00 C ATOM 0 H ILE A 76 -2.219 -2.094 -2.647 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.140 0.112 -4.341 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.488 -1.719 -4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.255 -0.980 -6.597 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.201 -2.375 -5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.169 -0.297 -6.575 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.294 0.552 -5.016 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.935 0.899 -6.112 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.031 -3.010 -7.780 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.301 -3.248 -6.557 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.356 -1.831 -7.633 1.00 0.00 H new ATOM 1167 N VAL A 77 -2.147 1.731 -2.848 1.00 0.00 N ATOM 1168 CA VAL A 77 -2.766 2.775 -2.048 1.00 0.00 C ATOM 1169 C VAL A 77 -3.593 3.685 -2.958 1.00 0.00 C ATOM 1170 O VAL A 77 -3.040 4.417 -3.779 1.00 0.00 O ATOM 1171 CB VAL A 77 -1.697 3.531 -1.257 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -2.311 4.700 -0.484 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -0.940 2.589 -0.318 1.00 0.00 C ATOM 0 H VAL A 77 -1.237 1.976 -3.238 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.447 2.342 -1.315 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.980 3.940 -1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.530 5.221 0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.782 5.391 -1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.059 4.322 0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.186 3.152 0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.639 2.136 0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.454 1.807 -0.901 1.00 0.00 H new ATOM 1183 N GLU A 78 -4.904 3.611 -2.782 1.00 0.00 N ATOM 1184 CA GLU A 78 -5.812 4.420 -3.577 1.00 0.00 C ATOM 1185 C GLU A 78 -6.767 5.195 -2.667 1.00 0.00 C ATOM 1186 O GLU A 78 -7.104 4.734 -1.577 1.00 0.00 O ATOM 1187 CB GLU A 78 -6.586 3.556 -4.574 1.00 0.00 C ATOM 1188 CG GLU A 78 -5.710 3.186 -5.773 1.00 0.00 C ATOM 1189 CD GLU A 78 -6.567 2.751 -6.964 1.00 0.00 C ATOM 1190 OE1 GLU A 78 -7.663 3.332 -7.118 1.00 0.00 O ATOM 1191 OE2 GLU A 78 -6.107 1.846 -7.694 1.00 0.00 O ATOM 0 H GLU A 78 -5.359 3.003 -2.101 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.223 5.137 -4.148 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.935 2.649 -4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.470 4.093 -4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.095 4.040 -6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.030 2.381 -5.496 1.00 0.00 H new ATOM 1198 N VAL A 79 -7.178 6.360 -3.148 1.00 0.00 N ATOM 1199 CA VAL A 79 -8.087 7.203 -2.391 1.00 0.00 C ATOM 1200 C VAL A 79 -9.508 6.647 -2.508 1.00 0.00 C ATOM 1201 O VAL A 79 -9.918 6.203 -3.579 1.00 0.00 O ATOM 1202 CB VAL A 79 -7.973 8.653 -2.865 1.00 0.00 C ATOM 1203 CG1 VAL A 79 -8.949 9.556 -2.108 1.00 0.00 C ATOM 1204 CG2 VAL A 79 -6.536 9.163 -2.729 1.00 0.00 C ATOM 0 H VAL A 79 -6.898 6.739 -4.052 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.821 7.198 -1.334 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.241 8.682 -3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.847 10.581 -2.464 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.969 9.212 -2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.727 9.519 -1.042 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.482 10.196 -3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.229 9.112 -1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.872 8.545 -3.333 1.00 0.00 H new ATOM 1214 N LEU A 80 -10.219 6.688 -1.390 1.00 0.00 N ATOM 1215 CA LEU A 80 -11.585 6.194 -1.354 1.00 0.00 C ATOM 1216 C LEU A 80 -12.488 7.143 -2.144 1.00 0.00 C ATOM 1217 O LEU A 80 -12.727 8.273 -1.722 1.00 0.00 O ATOM 1218 CB LEU A 80 -12.037 5.976 0.092 1.00 0.00 C ATOM 1219 CG LEU A 80 -11.369 4.818 0.836 1.00 0.00 C ATOM 1220 CD1 LEU A 80 -11.479 5.003 2.350 1.00 0.00 C ATOM 1221 CD2 LEU A 80 -11.938 3.473 0.380 1.00 0.00 C ATOM 0 H LEU A 80 -9.875 7.056 -0.503 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.650 5.218 -1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.855 6.894 0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.114 5.810 0.094 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.308 4.820 0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.996 4.166 2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.989 5.933 2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.530 5.042 2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.446 2.667 0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.009 3.445 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.764 3.348 -0.689 1.00 0.00 H new ATOM 1233 N SER A 81 -12.964 6.649 -3.277 1.00 0.00 N ATOM 1234 CA SER A 81 -13.836 7.439 -4.130 1.00 0.00 C ATOM 1235 C SER A 81 -14.719 6.517 -4.973 1.00 0.00 C ATOM 1236 O SER A 81 -14.358 5.369 -5.229 1.00 0.00 O ATOM 1237 CB SER A 81 -13.025 8.370 -5.034 1.00 0.00 C ATOM 1238 OG SER A 81 -13.117 9.730 -4.620 1.00 0.00 O ATOM 0 H SER A 81 -12.763 5.711 -3.625 1.00 0.00 H new ATOM 0 HA SER A 81 -14.470 8.056 -3.493 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.980 8.060 -5.030 1.00 0.00 H new ATOM 0 HB3 SER A 81 -13.380 8.279 -6.060 1.00 0.00 H new ATOM 0 HG SER A 81 -12.584 10.292 -5.221 1.00 0.00 H new ATOM 1244 N GLY A 82 -15.859 7.054 -5.382 1.00 0.00 N ATOM 1245 CA GLY A 82 -16.796 6.294 -6.191 1.00 0.00 C ATOM 1246 C GLY A 82 -17.784 5.526 -5.310 1.00 0.00 C ATOM 1247 O GLY A 82 -17.634 5.489 -4.090 1.00 0.00 O ATOM 0 H GLY A 82 -16.155 8.006 -5.168 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -17.341 6.968 -6.852 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -16.251 5.596 -6.826 1.00 0.00 H new ATOM 1251 N PRO A 83 -18.798 4.915 -5.980 1.00 0.00 N ATOM 1252 CA PRO A 83 -19.810 4.150 -5.271 1.00 0.00 C ATOM 1253 C PRO A 83 -19.254 2.801 -4.812 1.00 0.00 C ATOM 1254 O PRO A 83 -18.994 1.921 -5.631 1.00 0.00 O ATOM 1255 CB PRO A 83 -20.961 4.015 -6.254 1.00 0.00 C ATOM 1256 CG PRO A 83 -20.373 4.303 -7.627 1.00 0.00 C ATOM 1257 CD PRO A 83 -19.007 4.937 -7.425 1.00 0.00 C ATOM 0 HA PRO A 83 -20.142 4.638 -4.355 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -21.392 3.015 -6.216 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -21.761 4.716 -6.017 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -20.285 3.383 -8.205 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -21.025 4.972 -8.189 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -18.230 4.378 -7.946 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -18.982 5.955 -7.813 1.00 0.00 H new ATOM 1265 N SER A 84 -19.090 2.679 -3.503 1.00 0.00 N ATOM 1266 CA SER A 84 -18.571 1.452 -2.924 1.00 0.00 C ATOM 1267 C SER A 84 -19.726 0.522 -2.547 1.00 0.00 C ATOM 1268 O SER A 84 -20.637 0.920 -1.823 1.00 0.00 O ATOM 1269 CB SER A 84 -17.703 1.745 -1.698 1.00 0.00 C ATOM 1270 OG SER A 84 -16.435 1.099 -1.775 1.00 0.00 O ATOM 0 H SER A 84 -19.308 3.411 -2.826 1.00 0.00 H new ATOM 0 HA SER A 84 -17.945 0.960 -3.669 1.00 0.00 H new ATOM 0 HB2 SER A 84 -17.557 2.821 -1.606 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.223 1.416 -0.798 1.00 0.00 H new ATOM 0 HG SER A 84 -15.910 1.312 -0.975 1.00 0.00 H new ATOM 1276 N SER A 85 -19.650 -0.700 -3.055 1.00 0.00 N ATOM 1277 CA SER A 85 -20.677 -1.690 -2.781 1.00 0.00 C ATOM 1278 C SER A 85 -20.235 -2.599 -1.633 1.00 0.00 C ATOM 1279 O SER A 85 -20.913 -2.689 -0.611 1.00 0.00 O ATOM 1280 CB SER A 85 -20.988 -2.521 -4.027 1.00 0.00 C ATOM 1281 OG SER A 85 -19.822 -3.146 -4.556 1.00 0.00 O ATOM 0 H SER A 85 -18.892 -1.026 -3.655 1.00 0.00 H new ATOM 0 HA SER A 85 -21.588 -1.166 -2.491 1.00 0.00 H new ATOM 0 HB2 SER A 85 -21.727 -3.283 -3.780 1.00 0.00 H new ATOM 0 HB3 SER A 85 -21.433 -1.880 -4.788 1.00 0.00 H new ATOM 0 HG SER A 85 -20.062 -3.669 -5.349 1.00 0.00 H new ATOM 1287 N GLY A 86 -19.099 -3.250 -1.840 1.00 0.00 N ATOM 1288 CA GLY A 86 -18.558 -4.149 -0.835 1.00 0.00 C ATOM 1289 C GLY A 86 -17.043 -4.294 -0.988 1.00 0.00 C ATOM 1290 O GLY A 86 -16.469 -3.838 -1.976 1.00 0.00 O ATOM 0 H GLY A 86 -18.539 -3.172 -2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -18.792 -3.771 0.160 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -19.031 -5.127 -0.924 1.00 0.00 H new TER 1294 GLY A 86