USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 547 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 33 ASN : amide:sc= 0.379 K(o=-0.056,f=-6.7!) USER MOD Set 1.2: A 34 GLN : amide:sc= -0.435 X(o=-0.056,f=-0.061) USER MOD Set 2.1: A 4 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 6 TYR OH : rot 165:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -127:sc= 1.24 USER MOD Single : A 9 LYS NZ :NH3+ 157:sc= 0.492 (180deg=-0.229) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 161:sc=-0.00701 (180deg=-0.673) USER MOD Single : A 15 CYS SG : rot 72:sc= -0.0856 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 1.04 K(o=1,f=-0.059) USER MOD Single : A 28 GLN : amide:sc= -0.489 X(o=-0.49,f=-0.026) USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-0.77!,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -170:sc=-0.00178 (180deg=-0.1) USER MOD Single : A 50 ASN : amide:sc= -0.68 K(o=-0.68,f=-2.4) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 89:sc= 1.23 USER MOD Single : A 61 GLN : amide:sc= -0.141 K(o=-0.14,f=-3.9!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot -111:sc= 1.21 USER MOD Single : A 66 SER OG : rot -51:sc= 0.536 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.219 F(o=-2.1!,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -7.276 9.240 -15.387 1.00 2.76 N ATOM 2 CA SER A 2 -7.937 7.962 -15.138 1.00 2.59 C ATOM 3 C SER A 2 -6.904 6.872 -14.820 1.00 1.64 C ATOM 4 O SER A 2 -6.719 5.929 -15.587 1.00 2.21 O ATOM 5 CB SER A 2 -8.859 7.604 -16.317 1.00 3.65 C ATOM 6 OG SER A 2 -9.858 6.683 -15.921 1.00 4.94 O ATOM 0 HA SER A 2 -8.573 8.044 -14.257 1.00 2.59 H new ATOM 0 HB2 SER A 2 -9.327 8.509 -16.704 1.00 3.65 H new ATOM 0 HB3 SER A 2 -8.268 7.178 -17.128 1.00 3.65 H new ATOM 0 HG SER A 2 -10.432 6.473 -16.687 1.00 4.94 H new ATOM 12 N GLY A 3 -6.220 7.020 -13.682 1.00 1.33 N ATOM 13 CA GLY A 3 -5.256 6.037 -13.227 1.00 0.80 C ATOM 14 C GLY A 3 -5.897 4.700 -12.898 1.00 0.75 C ATOM 15 O GLY A 3 -7.117 4.546 -12.937 1.00 1.22 O ATOM 0 H GLY A 3 -6.324 7.822 -13.060 1.00 1.33 H new ATOM 0 HA2 GLY A 3 -4.498 5.893 -13.997 1.00 0.80 H new ATOM 0 HA3 GLY A 3 -4.744 6.418 -12.343 1.00 0.80 H new ATOM 19 N THR A 4 -5.056 3.728 -12.546 1.00 0.60 N ATOM 20 CA THR A 4 -5.515 2.380 -12.266 1.00 0.52 C ATOM 21 C THR A 4 -5.632 2.212 -10.765 1.00 0.51 C ATOM 22 O THR A 4 -4.861 2.795 -10.001 1.00 0.59 O ATOM 23 CB THR A 4 -4.543 1.350 -12.837 1.00 0.61 C ATOM 24 OG1 THR A 4 -4.151 1.756 -14.118 1.00 0.93 O ATOM 25 CG2 THR A 4 -5.134 -0.061 -12.919 1.00 0.81 C ATOM 0 H THR A 4 -4.049 3.857 -12.449 1.00 0.60 H new ATOM 0 HA THR A 4 -6.486 2.221 -12.736 1.00 0.52 H new ATOM 0 HB THR A 4 -3.693 1.300 -12.156 1.00 0.61 H new ATOM 0 HG1 THR A 4 -3.525 1.101 -14.492 1.00 0.93 H new ATOM 0 HG21 THR A 4 -4.391 -0.743 -13.333 1.00 0.81 H new ATOM 0 HG22 THR A 4 -5.417 -0.395 -11.921 1.00 0.81 H new ATOM 0 HG23 THR A 4 -6.015 -0.050 -13.561 1.00 0.81 H new ATOM 33 N ARG A 5 -6.588 1.372 -10.383 1.00 0.53 N ATOM 34 CA ARG A 5 -6.859 1.015 -9.014 1.00 0.63 C ATOM 35 C ARG A 5 -6.162 -0.313 -8.744 1.00 0.50 C ATOM 36 O ARG A 5 -6.379 -1.271 -9.482 1.00 0.63 O ATOM 37 CB ARG A 5 -8.373 0.858 -8.834 1.00 0.92 C ATOM 38 CG ARG A 5 -8.719 0.909 -7.343 1.00 0.90 C ATOM 39 CD ARG A 5 -9.195 2.312 -6.968 1.00 1.59 C ATOM 40 NE ARG A 5 -10.511 2.604 -7.556 1.00 2.19 N ATOM 41 CZ ARG A 5 -11.143 3.787 -7.495 1.00 3.26 C ATOM 42 NH1 ARG A 5 -10.520 4.871 -7.033 1.00 4.56 N ATOM 43 NH2 ARG A 5 -12.416 3.875 -7.897 1.00 4.08 N ATOM 0 H ARG A 5 -7.210 0.911 -11.047 1.00 0.53 H new ATOM 0 HA ARG A 5 -6.499 1.779 -8.324 1.00 0.63 H new ATOM 0 HB2 ARG A 5 -8.897 1.651 -9.367 1.00 0.92 H new ATOM 0 HB3 ARG A 5 -8.705 -0.088 -9.263 1.00 0.92 H new ATOM 0 HG2 ARG A 5 -9.496 0.179 -7.116 1.00 0.90 H new ATOM 0 HG3 ARG A 5 -7.846 0.641 -6.749 1.00 0.90 H new ATOM 0 HD2 ARG A 5 -9.251 2.402 -5.883 1.00 1.59 H new ATOM 0 HD3 ARG A 5 -8.469 3.049 -7.312 1.00 1.59 H new ATOM 0 HE ARG A 5 -10.982 1.846 -8.050 1.00 2.19 H new ATOM 0 HH11 ARG A 5 -9.551 4.808 -6.720 1.00 4.56 H new ATOM 0 HH12 ARG A 5 -11.012 5.764 -6.992 1.00 4.56 H new ATOM 0 HH21 ARG A 5 -12.899 3.047 -8.246 1.00 4.08 H new ATOM 0 HH22 ARG A 5 -12.904 4.770 -7.854 1.00 4.08 H new ATOM 57 N TYR A 6 -5.314 -0.362 -7.720 1.00 0.43 N ATOM 58 CA TYR A 6 -4.630 -1.582 -7.299 1.00 0.38 C ATOM 59 C TYR A 6 -4.779 -1.839 -5.800 1.00 0.31 C ATOM 60 O TYR A 6 -4.708 -0.883 -5.037 1.00 0.37 O ATOM 61 CB TYR A 6 -3.158 -1.419 -7.629 1.00 0.45 C ATOM 62 CG TYR A 6 -2.855 -1.033 -9.056 1.00 0.60 C ATOM 63 CD1 TYR A 6 -3.121 -1.928 -10.107 1.00 2.31 C ATOM 64 CD2 TYR A 6 -2.252 0.205 -9.324 1.00 1.54 C ATOM 65 CE1 TYR A 6 -2.616 -1.668 -11.390 1.00 2.43 C ATOM 66 CE2 TYR A 6 -1.818 0.496 -10.623 1.00 1.49 C ATOM 67 CZ TYR A 6 -1.951 -0.458 -11.645 1.00 0.92 C ATOM 68 OH TYR A 6 -1.594 -0.130 -12.918 1.00 1.14 O ATOM 0 H TYR A 6 -5.080 0.453 -7.153 1.00 0.43 H new ATOM 0 HA TYR A 6 -5.073 -2.431 -7.820 1.00 0.38 H new ATOM 0 HB2 TYR A 6 -2.736 -0.662 -6.968 1.00 0.45 H new ATOM 0 HB3 TYR A 6 -2.647 -2.356 -7.407 1.00 0.45 H new ATOM 0 HD1 TYR A 6 -3.713 -2.814 -9.927 1.00 2.31 H new ATOM 0 HD2 TYR A 6 -2.123 0.929 -8.533 1.00 1.54 H new ATOM 0 HE1 TYR A 6 -2.738 -2.396 -12.178 1.00 2.43 H new ATOM 0 HE2 TYR A 6 -1.379 1.459 -10.840 1.00 1.49 H new ATOM 0 HH TYR A 6 -1.367 0.822 -12.959 1.00 1.14 H new ATOM 78 N SER A 7 -4.938 -3.099 -5.358 1.00 0.50 N ATOM 79 CA SER A 7 -5.060 -3.417 -3.924 1.00 0.66 C ATOM 80 C SER A 7 -4.035 -4.423 -3.384 1.00 0.64 C ATOM 81 O SER A 7 -3.428 -5.182 -4.142 1.00 0.66 O ATOM 82 CB SER A 7 -6.515 -3.872 -3.666 1.00 0.75 C ATOM 83 OG SER A 7 -6.782 -4.194 -2.308 1.00 2.46 O ATOM 0 H SER A 7 -4.985 -3.912 -5.972 1.00 0.50 H new ATOM 0 HA SER A 7 -4.825 -2.512 -3.364 1.00 0.66 H new ATOM 0 HB2 SER A 7 -7.195 -3.081 -3.983 1.00 0.75 H new ATOM 0 HB3 SER A 7 -6.729 -4.743 -4.285 1.00 0.75 H new ATOM 0 HG SER A 7 -7.180 -5.088 -2.256 1.00 2.46 H new ATOM 89 N TRP A 8 -3.856 -4.413 -2.053 1.00 0.61 N ATOM 90 CA TRP A 8 -3.062 -5.373 -1.284 1.00 0.69 C ATOM 91 C TRP A 8 -3.775 -5.693 0.032 1.00 0.72 C ATOM 92 O TRP A 8 -4.420 -4.810 0.604 1.00 0.91 O ATOM 93 CB TRP A 8 -1.641 -4.836 -1.010 1.00 0.67 C ATOM 94 CG TRP A 8 -0.844 -4.610 -2.246 1.00 0.56 C ATOM 95 CD1 TRP A 8 -0.472 -5.607 -3.071 1.00 0.86 C ATOM 96 CD2 TRP A 8 -0.592 -3.414 -3.029 1.00 0.84 C ATOM 97 NE1 TRP A 8 -0.422 -5.090 -4.362 1.00 1.87 N ATOM 98 CE2 TRP A 8 -0.907 -3.789 -4.346 1.00 1.83 C ATOM 99 CE3 TRP A 8 -0.464 -2.019 -2.896 1.00 2.04 C ATOM 100 CZ2 TRP A 8 -1.448 -2.793 -5.198 1.00 2.40 C ATOM 101 CZ3 TRP A 8 0.005 -1.370 -4.077 1.00 1.98 C ATOM 102 CH2 TRP A 8 -0.842 -1.533 -5.147 1.00 0.62 C ATOM 0 H TRP A 8 -4.283 -3.701 -1.461 1.00 0.61 H new ATOM 0 HA TRP A 8 -2.961 -6.285 -1.872 1.00 0.69 H new ATOM 0 HB2 TRP A 8 -1.715 -3.899 -0.459 1.00 0.67 H new ATOM 0 HB3 TRP A 8 -1.112 -5.542 -0.370 1.00 0.67 H new ATOM 0 HD1 TRP A 8 -0.252 -6.624 -2.783 1.00 0.86 H new ATOM 0 HE1 TRP A 8 -0.084 -5.586 -5.186 1.00 1.87 H new ATOM 0 HE3 TRP A 8 -0.699 -1.489 -1.985 1.00 2.04 H new ATOM 0 HZ2 TRP A 8 -2.283 -2.996 -5.852 1.00 2.40 H new ATOM 0 HZ3 TRP A 8 0.927 -0.810 -4.125 1.00 1.98 H new ATOM 0 HH2 TRP A 8 -1.023 -0.761 -5.880 1.00 0.62 H new ATOM 113 N LYS A 9 -3.617 -6.938 0.511 1.00 0.55 N ATOM 114 CA LYS A 9 -4.195 -7.429 1.760 1.00 0.48 C ATOM 115 C LYS A 9 -3.109 -7.365 2.822 1.00 0.58 C ATOM 116 O LYS A 9 -2.240 -8.225 2.901 1.00 0.92 O ATOM 117 CB LYS A 9 -4.771 -8.851 1.637 1.00 0.57 C ATOM 118 CG LYS A 9 -3.832 -9.927 1.067 1.00 2.14 C ATOM 119 CD LYS A 9 -3.763 -9.833 -0.452 1.00 2.07 C ATOM 120 CE LYS A 9 -4.630 -10.916 -1.054 1.00 2.06 C ATOM 121 NZ LYS A 9 -4.825 -10.634 -2.484 1.00 3.06 N ATOM 0 H LYS A 9 -3.068 -7.645 0.022 1.00 0.55 H new ATOM 0 HA LYS A 9 -5.043 -6.800 2.032 1.00 0.48 H new ATOM 0 HB2 LYS A 9 -5.098 -9.173 2.626 1.00 0.57 H new ATOM 0 HB3 LYS A 9 -5.659 -8.805 1.007 1.00 0.57 H new ATOM 0 HG2 LYS A 9 -2.834 -9.807 1.489 1.00 2.14 H new ATOM 0 HG3 LYS A 9 -4.185 -10.916 1.359 1.00 2.14 H new ATOM 0 HD2 LYS A 9 -4.102 -8.852 -0.784 1.00 2.07 H new ATOM 0 HD3 LYS A 9 -2.733 -9.945 -0.789 1.00 2.07 H new ATOM 0 HE2 LYS A 9 -4.160 -11.891 -0.923 1.00 2.06 H new ATOM 0 HE3 LYS A 9 -5.592 -10.955 -0.543 1.00 2.06 H new ATOM 0 HZ1 LYS A 9 -5.064 -11.515 -2.982 1.00 3.06 H new ATOM 0 HZ2 LYS A 9 -5.599 -9.950 -2.600 1.00 3.06 H new ATOM 0 HZ3 LYS A 9 -3.950 -10.238 -2.882 1.00 3.06 H new ATOM 135 N VAL A 10 -3.118 -6.308 3.611 1.00 0.55 N ATOM 136 CA VAL A 10 -1.963 -5.949 4.408 1.00 0.76 C ATOM 137 C VAL A 10 -2.123 -6.498 5.820 1.00 0.98 C ATOM 138 O VAL A 10 -2.810 -5.925 6.663 1.00 1.96 O ATOM 139 CB VAL A 10 -1.747 -4.438 4.370 1.00 0.82 C ATOM 140 CG1 VAL A 10 -0.330 -4.145 4.854 1.00 0.99 C ATOM 141 CG2 VAL A 10 -1.875 -3.937 2.932 1.00 0.62 C ATOM 0 H VAL A 10 -3.916 -5.681 3.717 1.00 0.55 H new ATOM 0 HA VAL A 10 -1.062 -6.400 3.992 1.00 0.76 H new ATOM 0 HB VAL A 10 -2.487 -3.944 5.000 1.00 0.82 H new ATOM 0 HG11 VAL A 10 -0.154 -3.069 4.835 1.00 0.99 H new ATOM 0 HG12 VAL A 10 -0.210 -4.514 5.872 1.00 0.99 H new ATOM 0 HG13 VAL A 10 0.388 -4.642 4.201 1.00 0.99 H new ATOM 0 HG21 VAL A 10 -1.720 -2.858 2.907 1.00 0.62 H new ATOM 0 HG22 VAL A 10 -1.126 -4.425 2.309 1.00 0.62 H new ATOM 0 HG23 VAL A 10 -2.870 -4.170 2.553 1.00 0.62 H new ATOM 151 N SER A 11 -1.455 -7.622 6.065 1.00 0.40 N ATOM 152 CA SER A 11 -1.527 -8.375 7.297 1.00 0.46 C ATOM 153 C SER A 11 -0.284 -7.992 8.084 1.00 0.65 C ATOM 154 O SER A 11 0.803 -8.530 7.864 1.00 0.85 O ATOM 155 CB SER A 11 -1.641 -9.874 6.997 1.00 0.70 C ATOM 156 OG SER A 11 -2.063 -10.569 8.156 1.00 0.91 O ATOM 0 H SER A 11 -0.827 -8.043 5.380 1.00 0.40 H new ATOM 0 HA SER A 11 -2.413 -8.146 7.889 1.00 0.46 H new ATOM 0 HB2 SER A 11 -2.351 -10.038 6.186 1.00 0.70 H new ATOM 0 HB3 SER A 11 -0.679 -10.260 6.661 1.00 0.70 H new ATOM 0 HG SER A 11 -2.135 -11.526 7.956 1.00 0.91 H new ATOM 162 N GLY A 12 -0.450 -6.978 8.932 1.00 0.75 N ATOM 163 CA GLY A 12 0.598 -6.461 9.794 1.00 0.99 C ATOM 164 C GLY A 12 0.269 -5.043 10.247 1.00 0.90 C ATOM 165 O GLY A 12 0.568 -4.675 11.381 1.00 1.01 O ATOM 0 H GLY A 12 -1.338 -6.486 9.037 1.00 0.75 H new ATOM 0 HA2 GLY A 12 0.714 -7.109 10.663 1.00 0.99 H new ATOM 0 HA3 GLY A 12 1.550 -6.467 9.263 1.00 0.99 H new ATOM 169 N MET A 13 -0.346 -4.232 9.374 1.00 0.75 N ATOM 170 CA MET A 13 -0.684 -2.867 9.786 1.00 0.67 C ATOM 171 C MET A 13 -1.847 -2.832 10.777 1.00 0.84 C ATOM 172 O MET A 13 -3.005 -2.889 10.369 1.00 1.20 O ATOM 173 CB MET A 13 -0.929 -1.909 8.612 1.00 0.63 C ATOM 174 CG MET A 13 -2.010 -2.328 7.607 1.00 1.24 C ATOM 175 SD MET A 13 -3.255 -1.051 7.277 1.00 1.70 S ATOM 176 CE MET A 13 -4.149 -1.827 5.918 1.00 2.00 C ATOM 0 H MET A 13 -0.609 -4.483 8.421 1.00 0.75 H new ATOM 0 HA MET A 13 0.205 -2.500 10.299 1.00 0.67 H new ATOM 0 HB2 MET A 13 -1.198 -0.933 9.017 1.00 0.63 H new ATOM 0 HB3 MET A 13 0.009 -1.782 8.072 1.00 0.63 H new ATOM 0 HG2 MET A 13 -1.530 -2.603 6.668 1.00 1.24 H new ATOM 0 HG3 MET A 13 -2.512 -3.220 7.981 1.00 1.24 H new ATOM 0 HE1 MET A 13 -5.128 -1.360 5.813 1.00 2.00 H new ATOM 0 HE2 MET A 13 -3.586 -1.701 4.993 1.00 2.00 H new ATOM 0 HE3 MET A 13 -4.274 -2.890 6.125 1.00 2.00 H new ATOM 186 N ASP A 14 -1.539 -2.659 12.067 1.00 0.94 N ATOM 187 CA ASP A 14 -2.521 -2.236 13.054 1.00 1.09 C ATOM 188 C ASP A 14 -1.900 -1.219 14.015 1.00 1.18 C ATOM 189 O ASP A 14 -1.249 -1.593 14.990 1.00 1.88 O ATOM 190 CB ASP A 14 -3.121 -3.445 13.783 1.00 1.45 C ATOM 191 CG ASP A 14 -4.335 -3.056 14.621 1.00 2.05 C ATOM 192 OD1 ASP A 14 -4.283 -1.984 15.262 1.00 3.09 O ATOM 193 OD2 ASP A 14 -5.319 -3.823 14.576 1.00 2.64 O ATOM 0 H ASP A 14 -0.605 -2.809 12.448 1.00 0.94 H new ATOM 0 HA ASP A 14 -3.347 -1.739 12.545 1.00 1.09 H new ATOM 0 HB2 ASP A 14 -3.410 -4.202 13.054 1.00 1.45 H new ATOM 0 HB3 ASP A 14 -2.364 -3.894 14.426 1.00 1.45 H new ATOM 198 N CYS A 15 -2.066 0.072 13.704 1.00 0.63 N ATOM 199 CA CYS A 15 -1.762 1.215 14.564 1.00 0.67 C ATOM 200 C CYS A 15 -1.814 2.486 13.728 1.00 0.91 C ATOM 201 O CYS A 15 -1.392 2.473 12.571 1.00 2.39 O ATOM 202 CB CYS A 15 -0.382 1.125 15.241 1.00 0.72 C ATOM 203 SG CYS A 15 -0.606 0.708 16.985 1.00 1.14 S ATOM 0 H CYS A 15 -2.435 0.359 12.798 1.00 0.63 H new ATOM 0 HA CYS A 15 -2.508 1.221 15.359 1.00 0.67 H new ATOM 0 HB2 CYS A 15 0.230 0.369 14.749 1.00 0.72 H new ATOM 0 HB3 CYS A 15 0.146 2.074 15.146 1.00 0.72 H new ATOM 0 HG CYS A 15 -0.992 -0.529 17.089 1.00 1.14 H new ATOM 209 N ALA A 16 -2.264 3.600 14.320 1.00 0.85 N ATOM 210 CA ALA A 16 -2.384 4.904 13.666 1.00 0.90 C ATOM 211 C ALA A 16 -1.013 5.579 13.481 1.00 1.14 C ATOM 212 O ALA A 16 -0.808 6.738 13.843 1.00 2.43 O ATOM 213 CB ALA A 16 -3.343 5.777 14.483 1.00 1.36 C ATOM 0 H ALA A 16 -2.562 3.616 15.295 1.00 0.85 H new ATOM 0 HA ALA A 16 -2.789 4.767 12.663 1.00 0.90 H new ATOM 0 HB1 ALA A 16 -3.442 6.753 14.007 1.00 1.36 H new ATOM 0 HB2 ALA A 16 -4.320 5.296 14.532 1.00 1.36 H new ATOM 0 HB3 ALA A 16 -2.950 5.904 15.492 1.00 1.36 H new ATOM 219 N ALA A 17 -0.065 4.848 12.898 1.00 0.88 N ATOM 220 CA ALA A 17 1.348 5.183 12.799 1.00 0.75 C ATOM 221 C ALA A 17 2.001 4.181 11.846 1.00 0.49 C ATOM 222 O ALA A 17 2.636 4.566 10.864 1.00 0.54 O ATOM 223 CB ALA A 17 2.001 5.129 14.185 1.00 1.13 C ATOM 0 H ALA A 17 -0.279 3.954 12.457 1.00 0.88 H new ATOM 0 HA ALA A 17 1.478 6.195 12.415 1.00 0.75 H new ATOM 0 HB1 ALA A 17 3.058 5.381 14.099 1.00 1.13 H new ATOM 0 HB2 ALA A 17 1.510 5.843 14.847 1.00 1.13 H new ATOM 0 HB3 ALA A 17 1.900 4.125 14.596 1.00 1.13 H new ATOM 229 N CYS A 18 1.775 2.888 12.092 1.00 0.49 N ATOM 230 CA CYS A 18 2.168 1.843 11.158 1.00 0.61 C ATOM 231 C CYS A 18 1.300 1.989 9.911 1.00 0.63 C ATOM 232 O CYS A 18 1.783 1.872 8.783 1.00 0.61 O ATOM 233 CB CYS A 18 2.058 0.457 11.801 1.00 0.91 C ATOM 234 SG CYS A 18 3.488 0.218 12.889 1.00 2.37 S ATOM 0 H CYS A 18 1.319 2.544 12.937 1.00 0.49 H new ATOM 0 HA CYS A 18 3.216 1.948 10.877 1.00 0.61 H new ATOM 0 HB2 CYS A 18 1.131 0.374 12.369 1.00 0.91 H new ATOM 0 HB3 CYS A 18 2.032 -0.316 11.033 1.00 0.91 H new ATOM 0 HG CYS A 18 3.416 -0.953 13.449 1.00 2.37 H new ATOM 240 N ALA A 19 0.029 2.349 10.120 1.00 0.76 N ATOM 241 CA ALA A 19 -0.846 2.798 9.057 1.00 0.85 C ATOM 242 C ALA A 19 -0.175 3.886 8.214 1.00 0.78 C ATOM 243 O ALA A 19 -0.118 3.775 6.995 1.00 0.87 O ATOM 244 CB ALA A 19 -2.178 3.282 9.635 1.00 1.01 C ATOM 0 H ALA A 19 -0.414 2.333 11.039 1.00 0.76 H new ATOM 0 HA ALA A 19 -1.049 1.955 8.397 1.00 0.85 H new ATOM 0 HB1 ALA A 19 -2.826 3.617 8.825 1.00 1.01 H new ATOM 0 HB2 ALA A 19 -2.660 2.465 10.171 1.00 1.01 H new ATOM 0 HB3 ALA A 19 -1.998 4.110 10.321 1.00 1.01 H new ATOM 250 N ARG A 20 0.373 4.938 8.834 1.00 0.66 N ATOM 251 CA ARG A 20 1.073 5.951 8.079 1.00 0.67 C ATOM 252 C ARG A 20 2.289 5.357 7.363 1.00 0.53 C ATOM 253 O ARG A 20 2.522 5.675 6.202 1.00 0.50 O ATOM 254 CB ARG A 20 1.421 7.151 8.959 1.00 0.76 C ATOM 255 CG ARG A 20 0.152 7.961 9.257 1.00 0.89 C ATOM 256 CD ARG A 20 0.442 9.142 10.189 1.00 1.07 C ATOM 257 NE ARG A 20 0.256 8.790 11.607 1.00 1.44 N ATOM 258 CZ ARG A 20 0.338 9.668 12.620 1.00 1.96 C ATOM 259 NH1 ARG A 20 0.696 10.934 12.376 1.00 2.56 N ATOM 260 NH2 ARG A 20 0.058 9.278 13.867 1.00 3.29 N ATOM 0 H ARG A 20 0.340 5.098 9.841 1.00 0.66 H new ATOM 0 HA ARG A 20 0.410 6.327 7.300 1.00 0.67 H new ATOM 0 HB2 ARG A 20 1.874 6.812 9.890 1.00 0.76 H new ATOM 0 HB3 ARG A 20 2.156 7.780 8.458 1.00 0.76 H new ATOM 0 HG2 ARG A 20 -0.273 8.330 8.323 1.00 0.89 H new ATOM 0 HG3 ARG A 20 -0.596 7.312 9.713 1.00 0.89 H new ATOM 0 HD2 ARG A 20 1.465 9.484 10.032 1.00 1.07 H new ATOM 0 HD3 ARG A 20 -0.214 9.974 9.934 1.00 1.07 H new ATOM 0 HE ARG A 20 0.052 7.817 11.834 1.00 1.44 H new ATOM 0 HH11 ARG A 20 0.906 11.230 11.423 1.00 2.56 H new ATOM 0 HH12 ARG A 20 0.759 11.603 13.143 1.00 2.56 H new ATOM 0 HH21 ARG A 20 -0.218 8.313 14.050 1.00 3.29 H new ATOM 0 HH22 ARG A 20 0.120 9.945 14.636 1.00 3.29 H new ATOM 274 N LYS A 21 3.064 4.485 8.008 1.00 0.46 N ATOM 275 CA LYS A 21 4.181 3.830 7.331 1.00 0.40 C ATOM 276 C LYS A 21 3.789 3.297 5.946 1.00 0.30 C ATOM 277 O LYS A 21 4.548 3.478 4.997 1.00 0.32 O ATOM 278 CB LYS A 21 4.782 2.716 8.198 1.00 0.42 C ATOM 279 CG LYS A 21 6.250 2.966 8.556 1.00 0.82 C ATOM 280 CD LYS A 21 6.395 4.119 9.559 1.00 0.94 C ATOM 281 CE LYS A 21 7.874 4.265 9.945 1.00 1.75 C ATOM 282 NZ LYS A 21 8.089 5.322 10.956 1.00 2.90 N ATOM 0 H LYS A 21 2.941 4.219 8.985 1.00 0.46 H new ATOM 0 HA LYS A 21 4.946 4.591 7.177 1.00 0.40 H new ATOM 0 HB2 LYS A 21 4.200 2.623 9.115 1.00 0.42 H new ATOM 0 HB3 LYS A 21 4.699 1.766 7.670 1.00 0.42 H new ATOM 0 HG2 LYS A 21 6.683 2.059 8.978 1.00 0.82 H new ATOM 0 HG3 LYS A 21 6.812 3.196 7.651 1.00 0.82 H new ATOM 0 HD2 LYS A 21 6.027 5.047 9.121 1.00 0.94 H new ATOM 0 HD3 LYS A 21 5.792 3.924 10.446 1.00 0.94 H new ATOM 0 HE2 LYS A 21 8.241 3.315 10.332 1.00 1.75 H new ATOM 0 HE3 LYS A 21 8.459 4.493 9.054 1.00 1.75 H new ATOM 0 HZ1 LYS A 21 9.102 5.383 11.184 1.00 2.90 H new ATOM 0 HZ2 LYS A 21 7.764 6.235 10.579 1.00 2.90 H new ATOM 0 HZ3 LYS A 21 7.553 5.093 11.817 1.00 2.90 H new ATOM 296 N VAL A 22 2.607 2.688 5.811 1.00 0.30 N ATOM 297 CA VAL A 22 2.116 2.241 4.522 1.00 0.31 C ATOM 298 C VAL A 22 2.022 3.417 3.558 1.00 0.30 C ATOM 299 O VAL A 22 2.685 3.429 2.525 1.00 0.41 O ATOM 300 CB VAL A 22 0.706 1.663 4.693 1.00 0.39 C ATOM 301 CG1 VAL A 22 0.004 1.441 3.364 1.00 0.48 C ATOM 302 CG2 VAL A 22 0.670 0.340 5.452 1.00 0.47 C ATOM 0 H VAL A 22 1.976 2.497 6.589 1.00 0.30 H new ATOM 0 HA VAL A 22 2.802 1.490 4.129 1.00 0.31 H new ATOM 0 HB VAL A 22 0.188 2.423 5.277 1.00 0.39 H new ATOM 0 HG11 VAL A 22 -0.990 1.031 3.542 1.00 0.48 H new ATOM 0 HG12 VAL A 22 -0.084 2.391 2.836 1.00 0.48 H new ATOM 0 HG13 VAL A 22 0.582 0.742 2.759 1.00 0.48 H new ATOM 0 HG21 VAL A 22 -0.361 -0.005 5.533 1.00 0.47 H new ATOM 0 HG22 VAL A 22 1.261 -0.403 4.916 1.00 0.47 H new ATOM 0 HG23 VAL A 22 1.084 0.482 6.450 1.00 0.47 H new ATOM 312 N GLU A 23 1.145 4.379 3.867 1.00 0.31 N ATOM 313 CA GLU A 23 0.771 5.391 2.895 1.00 0.36 C ATOM 314 C GLU A 23 2.046 6.107 2.488 1.00 0.36 C ATOM 315 O GLU A 23 2.311 6.297 1.313 1.00 0.37 O ATOM 316 CB GLU A 23 -0.317 6.351 3.414 1.00 0.51 C ATOM 317 CG GLU A 23 0.188 7.252 4.542 1.00 0.49 C ATOM 318 CD GLU A 23 -0.871 8.123 5.195 1.00 0.88 C ATOM 319 OE1 GLU A 23 -2.068 7.810 5.024 1.00 2.28 O ATOM 320 OE2 GLU A 23 -0.442 9.083 5.872 1.00 1.61 O ATOM 0 H GLU A 23 0.690 4.471 4.775 1.00 0.31 H new ATOM 0 HA GLU A 23 0.310 4.922 2.026 1.00 0.36 H new ATOM 0 HB2 GLU A 23 -0.674 6.970 2.591 1.00 0.51 H new ATOM 0 HB3 GLU A 23 -1.169 5.772 3.770 1.00 0.51 H new ATOM 0 HG2 GLU A 23 0.645 6.626 5.309 1.00 0.49 H new ATOM 0 HG3 GLU A 23 0.973 7.897 4.147 1.00 0.49 H new ATOM 327 N ASN A 24 2.885 6.426 3.468 1.00 0.41 N ATOM 328 CA ASN A 24 4.153 7.090 3.262 1.00 0.48 C ATOM 329 C ASN A 24 5.085 6.223 2.399 1.00 0.45 C ATOM 330 O ASN A 24 5.717 6.739 1.473 1.00 0.53 O ATOM 331 CB ASN A 24 4.733 7.440 4.634 1.00 0.59 C ATOM 332 CG ASN A 24 4.008 8.628 5.282 1.00 0.68 C ATOM 333 OD1 ASN A 24 4.425 9.774 5.140 1.00 0.81 O ATOM 334 ND2 ASN A 24 2.910 8.358 5.984 1.00 0.67 N ATOM 0 H ASN A 24 2.691 6.222 4.448 1.00 0.41 H new ATOM 0 HA ASN A 24 4.027 8.018 2.704 1.00 0.48 H new ATOM 0 HB2 ASN A 24 4.662 6.572 5.289 1.00 0.59 H new ATOM 0 HB3 ASN A 24 5.792 7.675 4.530 1.00 0.59 H new ATOM 0 HD21 ASN A 24 2.387 9.115 6.424 1.00 0.67 H new ATOM 0 HD22 ASN A 24 2.591 7.394 6.082 1.00 0.67 H new ATOM 341 N ALA A 25 5.141 4.906 2.648 1.00 0.40 N ATOM 342 CA ALA A 25 5.860 3.966 1.786 1.00 0.46 C ATOM 343 C ALA A 25 5.320 3.962 0.351 1.00 0.39 C ATOM 344 O ALA A 25 6.059 3.665 -0.585 1.00 0.47 O ATOM 345 CB ALA A 25 5.854 2.553 2.378 1.00 0.58 C ATOM 0 H ALA A 25 4.690 4.467 3.451 1.00 0.40 H new ATOM 0 HA ALA A 25 6.893 4.311 1.738 1.00 0.46 H new ATOM 0 HB1 ALA A 25 6.396 1.878 1.715 1.00 0.58 H new ATOM 0 HB2 ALA A 25 6.336 2.566 3.355 1.00 0.58 H new ATOM 0 HB3 ALA A 25 4.826 2.208 2.486 1.00 0.58 H new ATOM 351 N VAL A 26 4.046 4.301 0.165 1.00 0.41 N ATOM 352 CA VAL A 26 3.443 4.478 -1.148 1.00 0.48 C ATOM 353 C VAL A 26 3.794 5.879 -1.703 1.00 0.41 C ATOM 354 O VAL A 26 4.132 6.026 -2.874 1.00 0.46 O ATOM 355 CB VAL A 26 1.929 4.188 -1.036 1.00 0.62 C ATOM 356 CG1 VAL A 26 1.195 4.355 -2.359 1.00 1.39 C ATOM 357 CG2 VAL A 26 1.628 2.770 -0.536 1.00 1.75 C ATOM 0 H VAL A 26 3.397 4.462 0.935 1.00 0.41 H new ATOM 0 HA VAL A 26 3.843 3.773 -1.876 1.00 0.48 H new ATOM 0 HB VAL A 26 1.576 4.924 -0.314 1.00 0.62 H new ATOM 0 HG11 VAL A 26 0.136 4.138 -2.218 1.00 1.39 H new ATOM 0 HG12 VAL A 26 1.311 5.379 -2.713 1.00 1.39 H new ATOM 0 HG13 VAL A 26 1.611 3.667 -3.095 1.00 1.39 H new ATOM 0 HG21 VAL A 26 0.549 2.626 -0.478 1.00 1.75 H new ATOM 0 HG22 VAL A 26 2.055 2.042 -1.226 1.00 1.75 H new ATOM 0 HG23 VAL A 26 2.066 2.632 0.453 1.00 1.75 H new ATOM 367 N ARG A 27 3.748 6.927 -0.874 1.00 0.33 N ATOM 368 CA ARG A 27 3.922 8.312 -1.306 1.00 0.30 C ATOM 369 C ARG A 27 5.339 8.557 -1.812 1.00 0.29 C ATOM 370 O ARG A 27 5.533 9.284 -2.782 1.00 0.42 O ATOM 371 CB ARG A 27 3.593 9.304 -0.177 1.00 0.27 C ATOM 372 CG ARG A 27 2.177 9.100 0.376 1.00 0.44 C ATOM 373 CD ARG A 27 1.413 10.398 0.608 1.00 0.91 C ATOM 374 NE ARG A 27 1.993 11.174 1.716 1.00 0.66 N ATOM 375 CZ ARG A 27 1.431 12.270 2.251 1.00 1.27 C ATOM 376 NH1 ARG A 27 0.282 12.739 1.751 1.00 2.32 N ATOM 377 NH2 ARG A 27 2.022 12.891 3.278 1.00 1.76 N ATOM 0 H ARG A 27 3.587 6.833 0.129 1.00 0.33 H new ATOM 0 HA ARG A 27 3.222 8.479 -2.125 1.00 0.30 H new ATOM 0 HB2 ARG A 27 4.317 9.188 0.630 1.00 0.27 H new ATOM 0 HB3 ARG A 27 3.693 10.323 -0.550 1.00 0.27 H new ATOM 0 HG2 ARG A 27 1.613 8.477 -0.318 1.00 0.44 H new ATOM 0 HG3 ARG A 27 2.240 8.554 1.317 1.00 0.44 H new ATOM 0 HD2 ARG A 27 1.426 10.997 -0.303 1.00 0.91 H new ATOM 0 HD3 ARG A 27 0.369 10.173 0.827 1.00 0.91 H new ATOM 0 HE ARG A 27 2.882 10.858 2.104 1.00 0.66 H new ATOM 0 HH11 ARG A 27 -0.164 12.264 0.966 1.00 2.32 H new ATOM 0 HH12 ARG A 27 -0.148 13.571 2.155 1.00 2.32 H new ATOM 0 HH21 ARG A 27 2.899 12.532 3.655 1.00 1.76 H new ATOM 0 HH22 ARG A 27 1.595 13.724 3.684 1.00 1.76 H new ATOM 391 N GLN A 28 6.329 7.954 -1.150 1.00 0.32 N ATOM 392 CA GLN A 28 7.739 8.121 -1.487 1.00 0.38 C ATOM 393 C GLN A 28 8.097 7.745 -2.934 1.00 0.39 C ATOM 394 O GLN A 28 9.217 8.021 -3.351 1.00 0.47 O ATOM 395 CB GLN A 28 8.622 7.403 -0.462 1.00 0.46 C ATOM 396 CG GLN A 28 8.516 5.879 -0.577 1.00 0.48 C ATOM 397 CD GLN A 28 9.321 5.164 0.504 1.00 0.53 C ATOM 398 OE1 GLN A 28 10.144 4.301 0.216 1.00 0.59 O ATOM 399 NE2 GLN A 28 9.105 5.522 1.767 1.00 0.63 N ATOM 0 H GLN A 28 6.170 7.331 -0.358 1.00 0.32 H new ATOM 0 HA GLN A 28 7.942 9.191 -1.434 1.00 0.38 H new ATOM 0 HB2 GLN A 28 9.660 7.705 -0.603 1.00 0.46 H new ATOM 0 HB3 GLN A 28 8.334 7.711 0.543 1.00 0.46 H new ATOM 0 HG2 GLN A 28 7.470 5.582 -0.505 1.00 0.48 H new ATOM 0 HG3 GLN A 28 8.869 5.565 -1.559 1.00 0.48 H new ATOM 0 HE21 GLN A 28 8.415 6.242 1.982 1.00 0.63 H new ATOM 0 HE22 GLN A 28 9.629 5.076 2.520 1.00 0.63 H new ATOM 408 N LEU A 29 7.217 7.038 -3.656 1.00 0.36 N ATOM 409 CA LEU A 29 7.435 6.641 -5.039 1.00 0.40 C ATOM 410 C LEU A 29 7.487 7.856 -5.970 1.00 0.39 C ATOM 411 O LEU A 29 8.460 8.602 -5.982 1.00 0.46 O ATOM 412 CB LEU A 29 6.380 5.619 -5.427 1.00 0.43 C ATOM 413 CG LEU A 29 6.496 4.396 -4.512 1.00 0.62 C ATOM 414 CD1 LEU A 29 5.848 3.259 -5.264 1.00 0.61 C ATOM 415 CD2 LEU A 29 7.920 3.947 -4.154 1.00 0.86 C ATOM 0 H LEU A 29 6.321 6.725 -3.282 1.00 0.36 H new ATOM 0 HA LEU A 29 8.411 6.167 -5.144 1.00 0.40 H new ATOM 0 HB2 LEU A 29 5.385 6.057 -5.343 1.00 0.43 H new ATOM 0 HB3 LEU A 29 6.511 5.322 -6.468 1.00 0.43 H new ATOM 0 HG LEU A 29 6.032 4.668 -3.564 1.00 0.62 H new ATOM 0 HD11 LEU A 29 5.897 2.351 -4.663 1.00 0.61 H new ATOM 0 HD12 LEU A 29 4.805 3.504 -5.467 1.00 0.61 H new ATOM 0 HD13 LEU A 29 6.373 3.100 -6.206 1.00 0.61 H new ATOM 0 HD21 LEU A 29 7.873 3.074 -3.503 1.00 0.86 H new ATOM 0 HD22 LEU A 29 8.461 3.692 -5.065 1.00 0.86 H new ATOM 0 HD23 LEU A 29 8.438 4.756 -3.639 1.00 0.86 H new ATOM 427 N ALA A 30 6.446 8.024 -6.784 1.00 0.38 N ATOM 428 CA ALA A 30 6.342 9.075 -7.790 1.00 0.35 C ATOM 429 C ALA A 30 5.032 8.901 -8.545 1.00 0.39 C ATOM 430 O ALA A 30 4.252 9.835 -8.690 1.00 0.38 O ATOM 431 CB ALA A 30 7.508 8.993 -8.785 1.00 0.38 C ATOM 0 H ALA A 30 5.629 7.414 -6.759 1.00 0.38 H new ATOM 0 HA ALA A 30 6.375 10.045 -7.294 1.00 0.35 H new ATOM 0 HB1 ALA A 30 7.410 9.786 -9.526 1.00 0.38 H new ATOM 0 HB2 ALA A 30 8.451 9.110 -8.251 1.00 0.38 H new ATOM 0 HB3 ALA A 30 7.492 8.025 -9.285 1.00 0.38 H new ATOM 437 N GLY A 31 4.806 7.677 -9.027 1.00 0.45 N ATOM 438 CA GLY A 31 3.679 7.357 -9.893 1.00 0.52 C ATOM 439 C GLY A 31 2.356 7.205 -9.146 1.00 0.52 C ATOM 440 O GLY A 31 1.325 6.984 -9.777 1.00 0.78 O ATOM 0 H GLY A 31 5.406 6.878 -8.824 1.00 0.45 H new ATOM 0 HA2 GLY A 31 3.575 8.141 -10.643 1.00 0.52 H new ATOM 0 HA3 GLY A 31 3.893 6.431 -10.427 1.00 0.52 H new ATOM 444 N VAL A 32 2.371 7.257 -7.815 1.00 0.35 N ATOM 445 CA VAL A 32 1.153 7.234 -7.023 1.00 0.26 C ATOM 446 C VAL A 32 0.483 8.597 -7.145 1.00 0.27 C ATOM 447 O VAL A 32 1.183 9.607 -7.201 1.00 0.37 O ATOM 448 CB VAL A 32 1.550 6.939 -5.569 1.00 0.31 C ATOM 449 CG1 VAL A 32 0.427 7.224 -4.557 1.00 0.38 C ATOM 450 CG2 VAL A 32 2.018 5.479 -5.494 1.00 0.37 C ATOM 0 H VAL A 32 3.226 7.316 -7.262 1.00 0.35 H new ATOM 0 HA VAL A 32 0.454 6.470 -7.365 1.00 0.26 H new ATOM 0 HB VAL A 32 2.356 7.616 -5.286 1.00 0.31 H new ATOM 0 HG11 VAL A 32 0.777 6.993 -3.551 1.00 0.38 H new ATOM 0 HG12 VAL A 32 0.146 8.276 -4.612 1.00 0.38 H new ATOM 0 HG13 VAL A 32 -0.439 6.605 -4.791 1.00 0.38 H new ATOM 0 HG21 VAL A 32 2.307 5.242 -4.470 1.00 0.37 H new ATOM 0 HG22 VAL A 32 1.207 4.820 -5.804 1.00 0.37 H new ATOM 0 HG23 VAL A 32 2.873 5.337 -6.154 1.00 0.37 H new ATOM 460 N ASN A 33 -0.854 8.639 -7.123 1.00 0.29 N ATOM 461 CA ASN A 33 -1.571 9.907 -7.060 1.00 0.37 C ATOM 462 C ASN A 33 -2.532 9.944 -5.877 1.00 0.34 C ATOM 463 O ASN A 33 -2.448 10.873 -5.074 1.00 0.66 O ATOM 464 CB ASN A 33 -2.194 10.311 -8.406 1.00 0.77 C ATOM 465 CG ASN A 33 -2.378 9.183 -9.414 1.00 0.89 C ATOM 466 OD1 ASN A 33 -1.419 8.743 -10.042 1.00 2.46 O ATOM 467 ND2 ASN A 33 -3.612 8.749 -9.628 1.00 1.15 N ATOM 0 H ASN A 33 -1.453 7.814 -7.148 1.00 0.29 H new ATOM 0 HA ASN A 33 -0.839 10.691 -6.868 1.00 0.37 H new ATOM 0 HB2 ASN A 33 -3.167 10.764 -8.214 1.00 0.77 H new ATOM 0 HB3 ASN A 33 -1.568 11.080 -8.859 1.00 0.77 H new ATOM 0 HD21 ASN A 33 -3.785 8.030 -10.330 1.00 1.15 H new ATOM 0 HD22 ASN A 33 -4.388 9.134 -9.090 1.00 1.15 H new ATOM 474 N GLN A 34 -3.411 8.949 -5.712 1.00 0.47 N ATOM 475 CA GLN A 34 -4.272 8.882 -4.533 1.00 0.49 C ATOM 476 C GLN A 34 -4.139 7.515 -3.857 1.00 0.46 C ATOM 477 O GLN A 34 -4.711 6.525 -4.294 1.00 1.24 O ATOM 478 CB GLN A 34 -5.730 9.241 -4.870 1.00 0.62 C ATOM 479 CG GLN A 34 -5.947 10.726 -5.205 1.00 1.43 C ATOM 480 CD GLN A 34 -5.498 11.140 -6.605 1.00 1.71 C ATOM 481 OE1 GLN A 34 -4.796 12.131 -6.769 1.00 3.36 O ATOM 482 NE2 GLN A 34 -5.922 10.421 -7.642 1.00 0.93 N ATOM 0 H GLN A 34 -3.542 8.186 -6.376 1.00 0.47 H new ATOM 0 HA GLN A 34 -3.940 9.634 -3.817 1.00 0.49 H new ATOM 0 HB2 GLN A 34 -6.056 8.637 -5.717 1.00 0.62 H new ATOM 0 HB3 GLN A 34 -6.364 8.973 -4.025 1.00 0.62 H new ATOM 0 HG2 GLN A 34 -7.007 10.957 -5.095 1.00 1.43 H new ATOM 0 HG3 GLN A 34 -5.411 11.331 -4.473 1.00 1.43 H new ATOM 0 HE21 GLN A 34 -6.506 9.599 -7.488 1.00 0.93 H new ATOM 0 HE22 GLN A 34 -5.663 10.692 -8.591 1.00 0.93 H new ATOM 491 N VAL A 35 -3.401 7.455 -2.750 1.00 0.69 N ATOM 492 CA VAL A 35 -3.337 6.266 -1.917 1.00 0.61 C ATOM 493 C VAL A 35 -4.548 6.257 -0.977 1.00 0.57 C ATOM 494 O VAL A 35 -4.995 7.312 -0.532 1.00 0.65 O ATOM 495 CB VAL A 35 -1.987 6.211 -1.178 1.00 0.60 C ATOM 496 CG1 VAL A 35 -1.643 7.487 -0.395 1.00 1.36 C ATOM 497 CG2 VAL A 35 -1.939 5.012 -0.228 1.00 1.38 C ATOM 0 H VAL A 35 -2.833 8.231 -2.410 1.00 0.69 H new ATOM 0 HA VAL A 35 -3.387 5.361 -2.523 1.00 0.61 H new ATOM 0 HB VAL A 35 -1.237 6.111 -1.963 1.00 0.60 H new ATOM 0 HG11 VAL A 35 -0.677 7.364 0.095 1.00 1.36 H new ATOM 0 HG12 VAL A 35 -1.597 8.333 -1.080 1.00 1.36 H new ATOM 0 HG13 VAL A 35 -2.411 7.671 0.357 1.00 1.36 H new ATOM 0 HG21 VAL A 35 -0.977 4.992 0.284 1.00 1.38 H new ATOM 0 HG22 VAL A 35 -2.739 5.098 0.507 1.00 1.38 H new ATOM 0 HG23 VAL A 35 -2.066 4.091 -0.797 1.00 1.38 H new ATOM 507 N GLN A 36 -5.124 5.083 -0.713 1.00 0.56 N ATOM 508 CA GLN A 36 -6.166 4.871 0.282 1.00 0.59 C ATOM 509 C GLN A 36 -5.782 3.653 1.123 1.00 0.53 C ATOM 510 O GLN A 36 -5.868 2.513 0.674 1.00 0.71 O ATOM 511 CB GLN A 36 -7.537 4.656 -0.382 1.00 0.74 C ATOM 512 CG GLN A 36 -8.448 5.889 -0.377 1.00 1.49 C ATOM 513 CD GLN A 36 -8.494 6.581 -1.734 1.00 2.08 C ATOM 514 OE1 GLN A 36 -7.391 7.189 -2.146 1.00 2.67 O flip ATOM 515 NE2 GLN A 36 -9.518 6.565 -2.409 1.00 2.62 N flip ATOM 0 H GLN A 36 -4.866 4.227 -1.205 1.00 0.56 H new ATOM 0 HA GLN A 36 -6.250 5.755 0.914 1.00 0.59 H new ATOM 0 HB2 GLN A 36 -7.381 4.340 -1.413 1.00 0.74 H new ATOM 0 HB3 GLN A 36 -8.049 3.840 0.128 1.00 0.74 H new ATOM 0 HG2 GLN A 36 -9.456 5.592 -0.089 1.00 1.49 H new ATOM 0 HG3 GLN A 36 -8.097 6.594 0.376 1.00 1.49 H new ATOM 0 HE21 GLN A 36 -10.350 6.088 -2.062 1.00 2.62 H new ATOM 0 HE22 GLN A 36 -9.537 7.029 -3.317 1.00 2.62 H new ATOM 524 N VAL A 37 -5.388 3.899 2.368 1.00 0.34 N ATOM 525 CA VAL A 37 -5.126 2.879 3.370 1.00 0.31 C ATOM 526 C VAL A 37 -6.380 2.784 4.235 1.00 0.38 C ATOM 527 O VAL A 37 -6.731 3.752 4.907 1.00 0.52 O ATOM 528 CB VAL A 37 -3.853 3.236 4.171 1.00 0.32 C ATOM 529 CG1 VAL A 37 -2.697 3.497 3.201 1.00 1.57 C ATOM 530 CG2 VAL A 37 -3.959 4.469 5.084 1.00 1.42 C ATOM 0 H VAL A 37 -5.238 4.846 2.716 1.00 0.34 H new ATOM 0 HA VAL A 37 -4.926 1.903 2.927 1.00 0.31 H new ATOM 0 HB VAL A 37 -3.693 2.375 4.819 1.00 0.32 H new ATOM 0 HG11 VAL A 37 -1.799 3.749 3.765 1.00 1.57 H new ATOM 0 HG12 VAL A 37 -2.513 2.603 2.605 1.00 1.57 H new ATOM 0 HG13 VAL A 37 -2.956 4.325 2.541 1.00 1.57 H new ATOM 0 HG21 VAL A 37 -3.010 4.625 5.596 1.00 1.42 H new ATOM 0 HG22 VAL A 37 -4.196 5.347 4.483 1.00 1.42 H new ATOM 0 HG23 VAL A 37 -4.747 4.310 5.821 1.00 1.42 H new ATOM 540 N LEU A 38 -7.100 1.658 4.205 1.00 0.45 N ATOM 541 CA LEU A 38 -8.234 1.466 5.076 1.00 0.50 C ATOM 542 C LEU A 38 -7.733 0.581 6.213 1.00 0.45 C ATOM 543 O LEU A 38 -7.902 -0.640 6.209 1.00 0.37 O ATOM 544 CB LEU A 38 -9.408 0.924 4.257 1.00 0.55 C ATOM 545 CG LEU A 38 -10.586 0.504 5.136 1.00 0.54 C ATOM 546 CD1 LEU A 38 -10.966 1.549 6.197 1.00 0.57 C ATOM 547 CD2 LEU A 38 -11.831 0.214 4.291 1.00 0.54 C ATOM 0 H LEU A 38 -6.907 0.873 3.582 1.00 0.45 H new ATOM 0 HA LEU A 38 -8.629 2.378 5.524 1.00 0.50 H new ATOM 0 HB2 LEU A 38 -9.738 1.686 3.551 1.00 0.55 H new ATOM 0 HB3 LEU A 38 -9.074 0.069 3.669 1.00 0.55 H new ATOM 0 HG LEU A 38 -10.246 -0.396 5.649 1.00 0.54 H new ATOM 0 HD11 LEU A 38 -11.809 1.183 6.783 1.00 0.57 H new ATOM 0 HD12 LEU A 38 -10.115 1.725 6.856 1.00 0.57 H new ATOM 0 HD13 LEU A 38 -11.243 2.482 5.706 1.00 0.57 H new ATOM 0 HD21 LEU A 38 -12.652 -0.082 4.943 1.00 0.54 H new ATOM 0 HD22 LEU A 38 -12.112 1.110 3.738 1.00 0.54 H new ATOM 0 HD23 LEU A 38 -11.615 -0.592 3.590 1.00 0.54 H new ATOM 559 N PHE A 39 -7.087 1.226 7.190 1.00 0.93 N ATOM 560 CA PHE A 39 -6.712 0.603 8.451 1.00 1.15 C ATOM 561 C PHE A 39 -7.994 0.330 9.247 1.00 1.46 C ATOM 562 O PHE A 39 -8.357 1.063 10.162 1.00 2.52 O ATOM 563 CB PHE A 39 -5.680 1.469 9.199 1.00 1.89 C ATOM 564 CG PHE A 39 -5.409 1.082 10.638 1.00 0.72 C ATOM 565 CD1 PHE A 39 -5.459 -0.269 11.029 1.00 1.89 C ATOM 566 CD2 PHE A 39 -5.223 2.081 11.613 1.00 1.72 C ATOM 567 CE1 PHE A 39 -5.523 -0.597 12.390 1.00 3.04 C ATOM 568 CE2 PHE A 39 -5.159 1.735 12.974 1.00 2.33 C ATOM 569 CZ PHE A 39 -5.344 0.398 13.365 1.00 2.95 C ATOM 0 H PHE A 39 -6.810 2.205 7.121 1.00 0.93 H new ATOM 0 HA PHE A 39 -6.213 -0.352 8.288 1.00 1.15 H new ATOM 0 HB2 PHE A 39 -4.739 1.433 8.650 1.00 1.89 H new ATOM 0 HB3 PHE A 39 -6.021 2.504 9.180 1.00 1.89 H new ATOM 0 HD1 PHE A 39 -5.448 -1.050 10.283 1.00 1.89 H new ATOM 0 HD2 PHE A 39 -5.129 3.115 11.315 1.00 1.72 H new ATOM 0 HE1 PHE A 39 -5.710 -1.617 12.690 1.00 3.04 H new ATOM 0 HE2 PHE A 39 -4.968 2.495 13.717 1.00 2.33 H new ATOM 0 HZ PHE A 39 -5.349 0.136 14.413 1.00 2.95 H new ATOM 579 N ALA A 40 -8.681 -0.736 8.841 1.00 1.60 N ATOM 580 CA ALA A 40 -9.806 -1.360 9.516 1.00 1.74 C ATOM 581 C ALA A 40 -10.044 -2.685 8.798 1.00 1.25 C ATOM 582 O ALA A 40 -9.856 -3.754 9.366 1.00 1.41 O ATOM 583 CB ALA A 40 -11.051 -0.462 9.483 1.00 2.23 C ATOM 0 H ALA A 40 -8.446 -1.216 7.972 1.00 1.60 H new ATOM 0 HA ALA A 40 -9.593 -1.521 10.573 1.00 1.74 H new ATOM 0 HB1 ALA A 40 -11.873 -0.960 9.997 1.00 2.23 H new ATOM 0 HB2 ALA A 40 -10.832 0.483 9.981 1.00 2.23 H new ATOM 0 HB3 ALA A 40 -11.334 -0.270 8.448 1.00 2.23 H new ATOM 589 N THR A 41 -10.377 -2.601 7.509 1.00 0.90 N ATOM 590 CA THR A 41 -10.600 -3.739 6.627 1.00 0.55 C ATOM 591 C THR A 41 -9.303 -4.094 5.885 1.00 0.70 C ATOM 592 O THR A 41 -9.303 -4.202 4.662 1.00 1.45 O ATOM 593 CB THR A 41 -11.744 -3.379 5.663 1.00 0.79 C ATOM 594 OG1 THR A 41 -12.708 -2.589 6.337 1.00 1.04 O ATOM 595 CG2 THR A 41 -12.437 -4.622 5.100 1.00 1.25 C ATOM 0 H THR A 41 -10.502 -1.705 7.037 1.00 0.90 H new ATOM 0 HA THR A 41 -10.887 -4.623 7.196 1.00 0.55 H new ATOM 0 HB THR A 41 -11.304 -2.827 4.833 1.00 0.79 H new ATOM 0 HG1 THR A 41 -13.434 -2.361 5.719 1.00 1.04 H new ATOM 0 HG21 THR A 41 -13.237 -4.318 4.425 1.00 1.25 H new ATOM 0 HG22 THR A 41 -11.713 -5.227 4.555 1.00 1.25 H new ATOM 0 HG23 THR A 41 -12.856 -5.207 5.919 1.00 1.25 H new ATOM 603 N GLU A 42 -8.203 -4.203 6.642 1.00 0.43 N ATOM 604 CA GLU A 42 -6.859 -4.661 6.270 1.00 0.57 C ATOM 605 C GLU A 42 -6.373 -4.395 4.827 1.00 0.45 C ATOM 606 O GLU A 42 -5.571 -5.166 4.295 1.00 0.59 O ATOM 607 CB GLU A 42 -6.701 -6.137 6.674 1.00 0.93 C ATOM 608 CG GLU A 42 -7.701 -7.089 5.993 1.00 3.19 C ATOM 609 CD GLU A 42 -9.006 -7.236 6.769 1.00 4.22 C ATOM 610 OE1 GLU A 42 -8.925 -7.733 7.911 1.00 4.25 O ATOM 611 OE2 GLU A 42 -10.057 -6.854 6.212 1.00 5.48 O ATOM 0 H GLU A 42 -8.237 -3.947 7.629 1.00 0.43 H new ATOM 0 HA GLU A 42 -6.184 -4.018 6.835 1.00 0.57 H new ATOM 0 HB2 GLU A 42 -5.688 -6.461 6.435 1.00 0.93 H new ATOM 0 HB3 GLU A 42 -6.816 -6.220 7.755 1.00 0.93 H new ATOM 0 HG2 GLU A 42 -7.920 -6.721 4.991 1.00 3.19 H new ATOM 0 HG3 GLU A 42 -7.240 -8.070 5.879 1.00 3.19 H new ATOM 618 N LYS A 43 -6.794 -3.296 4.196 1.00 0.42 N ATOM 619 CA LYS A 43 -6.653 -3.119 2.757 1.00 0.54 C ATOM 620 C LYS A 43 -5.838 -1.870 2.418 1.00 0.52 C ATOM 621 O LYS A 43 -6.014 -0.801 3.011 1.00 0.60 O ATOM 622 CB LYS A 43 -8.054 -3.150 2.118 1.00 0.70 C ATOM 623 CG LYS A 43 -8.179 -2.586 0.702 1.00 1.44 C ATOM 624 CD LYS A 43 -8.467 -1.075 0.733 1.00 0.88 C ATOM 625 CE LYS A 43 -9.927 -0.701 1.003 1.00 0.65 C ATOM 626 NZ LYS A 43 -10.841 -1.149 -0.069 1.00 1.81 N ATOM 0 H LYS A 43 -7.239 -2.510 4.670 1.00 0.42 H new ATOM 0 HA LYS A 43 -6.077 -3.940 2.330 1.00 0.54 H new ATOM 0 HB2 LYS A 43 -8.398 -4.184 2.103 1.00 0.70 H new ATOM 0 HB3 LYS A 43 -8.735 -2.597 2.765 1.00 0.70 H new ATOM 0 HG2 LYS A 43 -7.258 -2.773 0.150 1.00 1.44 H new ATOM 0 HG3 LYS A 43 -8.979 -3.101 0.171 1.00 1.44 H new ATOM 0 HD2 LYS A 43 -7.842 -0.617 1.500 1.00 0.88 H new ATOM 0 HD3 LYS A 43 -8.168 -0.643 -0.222 1.00 0.88 H new ATOM 0 HE2 LYS A 43 -10.241 -1.141 1.949 1.00 0.65 H new ATOM 0 HE3 LYS A 43 -10.006 0.381 1.113 1.00 0.65 H new ATOM 0 HZ1 LYS A 43 -11.780 -0.727 0.077 1.00 1.81 H new ATOM 0 HZ2 LYS A 43 -10.467 -0.849 -0.992 1.00 1.81 H new ATOM 0 HZ3 LYS A 43 -10.920 -2.186 -0.047 1.00 1.81 H new ATOM 640 N LEU A 44 -4.998 -2.020 1.390 1.00 0.46 N ATOM 641 CA LEU A 44 -4.410 -0.944 0.597 1.00 0.47 C ATOM 642 C LEU A 44 -5.280 -0.871 -0.637 1.00 0.32 C ATOM 643 O LEU A 44 -5.448 -1.908 -1.266 1.00 0.35 O ATOM 644 CB LEU A 44 -2.980 -1.341 0.166 1.00 0.65 C ATOM 645 CG LEU A 44 -1.855 -0.592 0.876 1.00 0.63 C ATOM 646 CD1 LEU A 44 -1.516 0.781 0.320 1.00 1.21 C ATOM 647 CD2 LEU A 44 -2.208 -0.525 2.344 1.00 1.41 C ATOM 0 H LEU A 44 -4.697 -2.942 1.075 1.00 0.46 H new ATOM 0 HA LEU A 44 -4.357 -0.004 1.146 1.00 0.47 H new ATOM 0 HB2 LEU A 44 -2.849 -2.409 0.339 1.00 0.65 H new ATOM 0 HB3 LEU A 44 -2.883 -1.178 -0.907 1.00 0.65 H new ATOM 0 HG LEU A 44 -0.937 -1.154 0.704 1.00 0.63 H new ATOM 0 HD11 LEU A 44 -0.704 1.219 0.901 1.00 1.21 H new ATOM 0 HD12 LEU A 44 -1.207 0.686 -0.721 1.00 1.21 H new ATOM 0 HD13 LEU A 44 -2.394 1.425 0.380 1.00 1.21 H new ATOM 0 HD21 LEU A 44 -1.423 0.005 2.883 1.00 1.41 H new ATOM 0 HD22 LEU A 44 -3.153 0.003 2.467 1.00 1.41 H new ATOM 0 HD23 LEU A 44 -2.302 -1.535 2.742 1.00 1.41 H new ATOM 659 N VAL A 45 -5.815 0.295 -1.005 1.00 0.48 N ATOM 660 CA VAL A 45 -6.196 0.550 -2.381 1.00 0.63 C ATOM 661 C VAL A 45 -5.458 1.800 -2.842 1.00 0.82 C ATOM 662 O VAL A 45 -5.559 2.870 -2.253 1.00 1.19 O ATOM 663 CB VAL A 45 -7.714 0.560 -2.608 1.00 0.82 C ATOM 664 CG1 VAL A 45 -8.473 1.658 -1.863 1.00 2.11 C ATOM 665 CG2 VAL A 45 -7.992 0.710 -4.102 1.00 1.73 C ATOM 0 H VAL A 45 -5.991 1.070 -0.366 1.00 0.48 H new ATOM 0 HA VAL A 45 -5.888 -0.281 -3.016 1.00 0.63 H new ATOM 0 HB VAL A 45 -8.077 -0.386 -2.207 1.00 0.82 H new ATOM 0 HG11 VAL A 45 -9.537 1.582 -2.088 1.00 2.11 H new ATOM 0 HG12 VAL A 45 -8.319 1.543 -0.790 1.00 2.11 H new ATOM 0 HG13 VAL A 45 -8.105 2.634 -2.179 1.00 2.11 H new ATOM 0 HG21 VAL A 45 -9.069 0.718 -4.273 1.00 1.73 H new ATOM 0 HG22 VAL A 45 -7.561 1.645 -4.460 1.00 1.73 H new ATOM 0 HG23 VAL A 45 -7.545 -0.126 -4.641 1.00 1.73 H new ATOM 675 N VAL A 46 -4.627 1.611 -3.853 1.00 0.57 N ATOM 676 CA VAL A 46 -3.725 2.584 -4.428 1.00 0.54 C ATOM 677 C VAL A 46 -4.246 2.999 -5.807 1.00 0.50 C ATOM 678 O VAL A 46 -4.366 2.147 -6.691 1.00 0.51 O ATOM 679 CB VAL A 46 -2.351 1.895 -4.460 1.00 0.64 C ATOM 680 CG1 VAL A 46 -1.316 2.542 -5.378 1.00 0.79 C ATOM 681 CG2 VAL A 46 -1.823 1.833 -3.021 1.00 0.57 C ATOM 0 H VAL A 46 -4.564 0.708 -4.324 1.00 0.57 H new ATOM 0 HA VAL A 46 -3.648 3.510 -3.858 1.00 0.54 H new ATOM 0 HB VAL A 46 -2.504 0.904 -4.887 1.00 0.64 H new ATOM 0 HG11 VAL A 46 -0.383 1.980 -5.328 1.00 0.79 H new ATOM 0 HG12 VAL A 46 -1.686 2.539 -6.403 1.00 0.79 H new ATOM 0 HG13 VAL A 46 -1.139 3.569 -5.059 1.00 0.79 H new ATOM 0 HG21 VAL A 46 -0.847 1.348 -3.012 1.00 0.57 H new ATOM 0 HG22 VAL A 46 -1.730 2.844 -2.624 1.00 0.57 H new ATOM 0 HG23 VAL A 46 -2.517 1.263 -2.403 1.00 0.57 H new ATOM 691 N ASP A 47 -4.521 4.298 -5.989 1.00 0.48 N ATOM 692 CA ASP A 47 -4.823 4.891 -7.286 1.00 0.36 C ATOM 693 C ASP A 47 -3.532 5.512 -7.808 1.00 0.29 C ATOM 694 O ASP A 47 -3.021 6.494 -7.250 1.00 0.33 O ATOM 695 CB ASP A 47 -5.929 5.950 -7.208 1.00 0.43 C ATOM 696 CG ASP A 47 -7.310 5.371 -6.967 1.00 1.15 C ATOM 697 OD1 ASP A 47 -7.599 4.889 -5.854 1.00 2.23 O ATOM 698 OD2 ASP A 47 -8.130 5.414 -7.907 1.00 2.03 O ATOM 0 H ASP A 47 -4.538 4.971 -5.223 1.00 0.48 H new ATOM 0 HA ASP A 47 -5.196 4.116 -7.956 1.00 0.36 H new ATOM 0 HB2 ASP A 47 -5.693 6.651 -6.407 1.00 0.43 H new ATOM 0 HB3 ASP A 47 -5.940 6.520 -8.137 1.00 0.43 H new ATOM 703 N ALA A 48 -2.996 4.892 -8.860 1.00 0.34 N ATOM 704 CA ALA A 48 -1.728 5.271 -9.462 1.00 0.37 C ATOM 705 C ALA A 48 -1.881 5.310 -10.980 1.00 0.39 C ATOM 706 O ALA A 48 -2.410 4.366 -11.576 1.00 0.53 O ATOM 707 CB ALA A 48 -0.653 4.270 -9.027 1.00 0.48 C ATOM 0 H ALA A 48 -3.443 4.100 -9.322 1.00 0.34 H new ATOM 0 HA ALA A 48 -1.425 6.264 -9.130 1.00 0.37 H new ATOM 0 HB1 ALA A 48 0.303 4.545 -9.473 1.00 0.48 H new ATOM 0 HB2 ALA A 48 -0.563 4.282 -7.941 1.00 0.48 H new ATOM 0 HB3 ALA A 48 -0.933 3.269 -9.357 1.00 0.48 H new ATOM 713 N ASP A 49 -1.415 6.383 -11.624 1.00 0.46 N ATOM 714 CA ASP A 49 -1.536 6.533 -13.074 1.00 0.54 C ATOM 715 C ASP A 49 -0.382 5.792 -13.761 1.00 0.57 C ATOM 716 O ASP A 49 0.368 6.370 -14.543 1.00 0.66 O ATOM 717 CB ASP A 49 -1.625 8.025 -13.457 1.00 0.64 C ATOM 718 CG ASP A 49 -3.023 8.621 -13.306 1.00 0.81 C ATOM 719 OD1 ASP A 49 -3.642 8.431 -12.239 1.00 2.07 O ATOM 720 OD2 ASP A 49 -3.474 9.275 -14.274 1.00 1.69 O ATOM 0 H ASP A 49 -0.949 7.163 -11.161 1.00 0.46 H new ATOM 0 HA ASP A 49 -2.462 6.079 -13.426 1.00 0.54 H new ATOM 0 HB2 ASP A 49 -0.930 8.591 -12.836 1.00 0.64 H new ATOM 0 HB3 ASP A 49 -1.299 8.145 -14.490 1.00 0.64 H new ATOM 725 N ASN A 50 -0.264 4.488 -13.475 1.00 0.58 N ATOM 726 CA ASN A 50 0.807 3.573 -13.890 1.00 0.64 C ATOM 727 C ASN A 50 0.839 2.397 -12.915 1.00 0.80 C ATOM 728 O ASN A 50 0.506 2.585 -11.745 1.00 1.91 O ATOM 729 CB ASN A 50 2.207 4.233 -13.928 1.00 0.63 C ATOM 730 CG ASN A 50 2.527 5.164 -12.754 1.00 0.89 C ATOM 731 OD1 ASN A 50 3.284 6.116 -12.908 1.00 1.72 O ATOM 732 ND2 ASN A 50 1.948 4.937 -11.579 1.00 0.99 N ATOM 0 H ASN A 50 -0.965 4.012 -12.907 1.00 0.58 H new ATOM 0 HA ASN A 50 0.584 3.255 -14.909 1.00 0.64 H new ATOM 0 HB2 ASN A 50 2.960 3.446 -13.961 1.00 0.63 H new ATOM 0 HB3 ASN A 50 2.298 4.800 -14.854 1.00 0.63 H new ATOM 0 HD21 ASN A 50 2.131 5.559 -10.791 1.00 0.99 H new ATOM 0 HD22 ASN A 50 1.320 4.141 -11.465 1.00 0.99 H new ATOM 739 N ASP A 51 1.281 1.215 -13.355 1.00 0.74 N ATOM 740 CA ASP A 51 1.552 0.123 -12.429 1.00 0.62 C ATOM 741 C ASP A 51 2.819 0.445 -11.648 1.00 0.49 C ATOM 742 O ASP A 51 3.838 0.780 -12.250 1.00 0.70 O ATOM 743 CB ASP A 51 1.707 -1.208 -13.174 1.00 0.85 C ATOM 744 CG ASP A 51 1.910 -2.383 -12.220 1.00 2.14 C ATOM 745 OD1 ASP A 51 1.859 -2.181 -10.980 1.00 3.34 O ATOM 746 OD2 ASP A 51 2.034 -3.523 -12.720 1.00 2.75 O ATOM 0 H ASP A 51 1.456 0.996 -14.336 1.00 0.74 H new ATOM 0 HA ASP A 51 0.711 0.019 -11.744 1.00 0.62 H new ATOM 0 HB2 ASP A 51 0.821 -1.386 -13.784 1.00 0.85 H new ATOM 0 HB3 ASP A 51 2.556 -1.144 -13.855 1.00 0.85 H new ATOM 751 N ILE A 52 2.757 0.340 -10.321 1.00 0.37 N ATOM 752 CA ILE A 52 3.932 0.437 -9.472 1.00 0.37 C ATOM 753 C ILE A 52 3.804 -0.567 -8.328 1.00 0.38 C ATOM 754 O ILE A 52 4.445 -0.408 -7.287 1.00 0.46 O ATOM 755 CB ILE A 52 4.125 1.885 -8.968 1.00 0.42 C ATOM 756 CG1 ILE A 52 2.825 2.543 -8.485 1.00 0.40 C ATOM 757 CG2 ILE A 52 4.731 2.781 -10.057 1.00 0.67 C ATOM 758 CD1 ILE A 52 2.142 1.820 -7.324 1.00 0.43 C ATOM 0 H ILE A 52 1.888 0.185 -9.809 1.00 0.37 H new ATOM 0 HA ILE A 52 4.826 0.189 -10.044 1.00 0.37 H new ATOM 0 HB ILE A 52 4.804 1.796 -8.120 1.00 0.42 H new ATOM 0 HG12 ILE A 52 3.042 3.567 -8.181 1.00 0.40 H new ATOM 0 HG13 ILE A 52 2.129 2.599 -9.322 1.00 0.40 H new ATOM 0 HG21 ILE A 52 4.853 3.792 -9.670 1.00 0.67 H new ATOM 0 HG22 ILE A 52 5.703 2.386 -10.354 1.00 0.67 H new ATOM 0 HG23 ILE A 52 4.068 2.802 -10.922 1.00 0.67 H new ATOM 0 HD11 ILE A 52 1.232 2.353 -7.048 1.00 0.43 H new ATOM 0 HD12 ILE A 52 1.889 0.804 -7.626 1.00 0.43 H new ATOM 0 HD13 ILE A 52 2.817 1.787 -6.469 1.00 0.43 H new ATOM 770 N ARG A 53 2.976 -1.609 -8.472 1.00 0.40 N ATOM 771 CA ARG A 53 2.689 -2.406 -7.285 1.00 0.57 C ATOM 772 C ARG A 53 3.908 -3.176 -6.888 1.00 0.53 C ATOM 773 O ARG A 53 4.147 -3.290 -5.707 1.00 0.62 O ATOM 774 CB ARG A 53 1.583 -3.428 -7.411 1.00 0.76 C ATOM 775 CG ARG A 53 0.394 -2.827 -8.102 1.00 0.77 C ATOM 776 CD ARG A 53 -0.688 -3.874 -8.339 1.00 0.84 C ATOM 777 NE ARG A 53 -0.245 -5.222 -8.766 1.00 0.90 N ATOM 778 CZ ARG A 53 0.409 -5.544 -9.893 1.00 1.93 C ATOM 779 NH1 ARG A 53 0.893 -4.584 -10.676 1.00 3.06 N ATOM 780 NH2 ARG A 53 0.582 -6.825 -10.228 1.00 2.42 N ATOM 0 H ARG A 53 2.523 -1.903 -9.337 1.00 0.40 H new ATOM 0 HA ARG A 53 2.366 -1.663 -6.556 1.00 0.57 H new ATOM 0 HB2 ARG A 53 1.939 -4.292 -7.972 1.00 0.76 H new ATOM 0 HB3 ARG A 53 1.295 -3.786 -6.423 1.00 0.76 H new ATOM 0 HG2 ARG A 53 -0.009 -2.013 -7.499 1.00 0.77 H new ATOM 0 HG3 ARG A 53 0.702 -2.396 -9.054 1.00 0.77 H new ATOM 0 HD2 ARG A 53 -1.260 -3.983 -7.418 1.00 0.84 H new ATOM 0 HD3 ARG A 53 -1.372 -3.488 -9.095 1.00 0.84 H new ATOM 0 HE ARG A 53 -0.461 -5.992 -8.132 1.00 0.90 H new ATOM 0 HH11 ARG A 53 0.767 -3.605 -10.420 1.00 3.06 H new ATOM 0 HH12 ARG A 53 1.390 -4.827 -11.533 1.00 3.06 H new ATOM 0 HH21 ARG A 53 0.217 -7.563 -9.627 1.00 2.42 H new ATOM 0 HH22 ARG A 53 1.080 -7.065 -11.085 1.00 2.42 H new ATOM 794 N ALA A 54 4.695 -3.676 -7.838 1.00 0.53 N ATOM 795 CA ALA A 54 5.948 -4.312 -7.482 1.00 0.60 C ATOM 796 C ALA A 54 6.761 -3.375 -6.590 1.00 0.49 C ATOM 797 O ALA A 54 7.454 -3.825 -5.679 1.00 0.46 O ATOM 798 CB ALA A 54 6.721 -4.676 -8.747 1.00 0.74 C ATOM 0 H ALA A 54 4.489 -3.652 -8.837 1.00 0.53 H new ATOM 0 HA ALA A 54 5.752 -5.230 -6.928 1.00 0.60 H new ATOM 0 HB1 ALA A 54 7.662 -5.154 -8.474 1.00 0.74 H new ATOM 0 HB2 ALA A 54 6.128 -5.362 -9.351 1.00 0.74 H new ATOM 0 HB3 ALA A 54 6.926 -3.772 -9.321 1.00 0.74 H new ATOM 804 N GLN A 55 6.629 -2.062 -6.820 1.00 0.43 N ATOM 805 CA GLN A 55 7.381 -1.071 -6.083 1.00 0.39 C ATOM 806 C GLN A 55 6.799 -0.946 -4.674 1.00 0.32 C ATOM 807 O GLN A 55 7.518 -1.029 -3.677 1.00 0.32 O ATOM 808 CB GLN A 55 7.358 0.255 -6.864 1.00 0.45 C ATOM 809 CG GLN A 55 8.729 0.937 -6.930 1.00 0.54 C ATOM 810 CD GLN A 55 9.403 0.714 -8.281 1.00 1.06 C ATOM 811 OE1 GLN A 55 10.255 -0.156 -8.426 1.00 2.50 O ATOM 812 NE2 GLN A 55 9.024 1.502 -9.284 1.00 0.89 N ATOM 0 H GLN A 55 5.999 -1.671 -7.520 1.00 0.43 H new ATOM 0 HA GLN A 55 8.425 -1.365 -5.974 1.00 0.39 H new ATOM 0 HB2 GLN A 55 7.003 0.067 -7.877 1.00 0.45 H new ATOM 0 HB3 GLN A 55 6.644 0.933 -6.397 1.00 0.45 H new ATOM 0 HG2 GLN A 55 8.613 2.006 -6.753 1.00 0.54 H new ATOM 0 HG3 GLN A 55 9.367 0.550 -6.136 1.00 0.54 H new ATOM 0 HE21 GLN A 55 8.312 2.216 -9.130 1.00 0.89 H new ATOM 0 HE22 GLN A 55 9.445 1.392 -10.206 1.00 0.89 H new ATOM 821 N VAL A 56 5.479 -0.772 -4.597 1.00 0.33 N ATOM 822 CA VAL A 56 4.782 -0.618 -3.332 1.00 0.27 C ATOM 823 C VAL A 56 4.944 -1.883 -2.487 1.00 0.22 C ATOM 824 O VAL A 56 5.248 -1.808 -1.305 1.00 0.22 O ATOM 825 CB VAL A 56 3.304 -0.317 -3.589 1.00 0.28 C ATOM 826 CG1 VAL A 56 2.461 -0.602 -2.343 1.00 0.40 C ATOM 827 CG2 VAL A 56 3.081 1.150 -3.933 1.00 0.51 C ATOM 0 H VAL A 56 4.868 -0.735 -5.413 1.00 0.33 H new ATOM 0 HA VAL A 56 5.213 0.217 -2.780 1.00 0.27 H new ATOM 0 HB VAL A 56 3.008 -0.956 -4.421 1.00 0.28 H new ATOM 0 HG11 VAL A 56 1.415 -0.380 -2.553 1.00 0.40 H new ATOM 0 HG12 VAL A 56 2.561 -1.652 -2.069 1.00 0.40 H new ATOM 0 HG13 VAL A 56 2.806 0.023 -1.519 1.00 0.40 H new ATOM 0 HG21 VAL A 56 2.020 1.325 -4.109 1.00 0.51 H new ATOM 0 HG22 VAL A 56 3.419 1.773 -3.105 1.00 0.51 H new ATOM 0 HG23 VAL A 56 3.644 1.403 -4.831 1.00 0.51 H new ATOM 837 N GLU A 57 4.711 -3.045 -3.089 1.00 0.27 N ATOM 838 CA GLU A 57 4.757 -4.339 -2.444 1.00 0.20 C ATOM 839 C GLU A 57 6.159 -4.528 -1.893 1.00 0.28 C ATOM 840 O GLU A 57 6.288 -4.724 -0.691 1.00 0.37 O ATOM 841 CB GLU A 57 4.228 -5.449 -3.372 1.00 0.37 C ATOM 842 CG GLU A 57 4.885 -6.827 -3.211 1.00 0.61 C ATOM 843 CD GLU A 57 3.960 -8.000 -3.533 1.00 1.62 C ATOM 844 OE1 GLU A 57 2.910 -7.767 -4.171 1.00 3.02 O ATOM 845 OE2 GLU A 57 4.303 -9.108 -3.073 1.00 2.24 O ATOM 0 H GLU A 57 4.476 -3.106 -4.080 1.00 0.27 H new ATOM 0 HA GLU A 57 4.077 -4.400 -1.594 1.00 0.20 H new ATOM 0 HB2 GLU A 57 3.157 -5.557 -3.203 1.00 0.37 H new ATOM 0 HB3 GLU A 57 4.357 -5.125 -4.405 1.00 0.37 H new ATOM 0 HG2 GLU A 57 5.759 -6.879 -3.860 1.00 0.61 H new ATOM 0 HG3 GLU A 57 5.242 -6.930 -2.186 1.00 0.61 H new ATOM 852 N SER A 58 7.198 -4.366 -2.718 1.00 0.27 N ATOM 853 CA SER A 58 8.572 -4.338 -2.227 1.00 0.27 C ATOM 854 C SER A 58 8.717 -3.429 -0.997 1.00 0.29 C ATOM 855 O SER A 58 9.227 -3.850 0.042 1.00 0.36 O ATOM 856 CB SER A 58 9.506 -3.880 -3.349 1.00 0.26 C ATOM 857 OG SER A 58 9.577 -4.859 -4.367 1.00 2.15 O ATOM 0 H SER A 58 7.110 -4.253 -3.728 1.00 0.27 H new ATOM 0 HA SER A 58 8.846 -5.346 -1.916 1.00 0.27 H new ATOM 0 HB2 SER A 58 9.148 -2.939 -3.766 1.00 0.26 H new ATOM 0 HB3 SER A 58 10.502 -3.692 -2.947 1.00 0.26 H new ATOM 0 HG SER A 58 8.873 -4.694 -5.029 1.00 2.15 H new ATOM 863 N ALA A 59 8.267 -2.179 -1.112 1.00 0.26 N ATOM 864 CA ALA A 59 8.382 -1.196 -0.046 1.00 0.29 C ATOM 865 C ALA A 59 7.655 -1.617 1.234 1.00 0.23 C ATOM 866 O ALA A 59 8.185 -1.439 2.325 1.00 0.24 O ATOM 867 CB ALA A 59 7.831 0.140 -0.531 1.00 0.32 C ATOM 0 H ALA A 59 7.811 -1.823 -1.952 1.00 0.26 H new ATOM 0 HA ALA A 59 9.440 -1.110 0.202 1.00 0.29 H new ATOM 0 HB1 ALA A 59 7.916 0.879 0.266 1.00 0.32 H new ATOM 0 HB2 ALA A 59 8.400 0.475 -1.399 1.00 0.32 H new ATOM 0 HB3 ALA A 59 6.783 0.023 -0.807 1.00 0.32 H new ATOM 873 N LEU A 60 6.439 -2.146 1.119 1.00 0.23 N ATOM 874 CA LEU A 60 5.599 -2.544 2.240 1.00 0.21 C ATOM 875 C LEU A 60 6.219 -3.779 2.895 1.00 0.21 C ATOM 876 O LEU A 60 6.317 -3.871 4.121 1.00 0.24 O ATOM 877 CB LEU A 60 4.189 -2.867 1.723 1.00 0.23 C ATOM 878 CG LEU A 60 3.330 -1.677 1.292 1.00 0.49 C ATOM 879 CD1 LEU A 60 2.124 -2.143 0.475 1.00 1.10 C ATOM 880 CD2 LEU A 60 2.755 -0.896 2.467 1.00 0.94 C ATOM 0 H LEU A 60 6.000 -2.314 0.214 1.00 0.23 H new ATOM 0 HA LEU A 60 5.529 -1.740 2.972 1.00 0.21 H new ATOM 0 HB2 LEU A 60 4.284 -3.544 0.874 1.00 0.23 H new ATOM 0 HB3 LEU A 60 3.655 -3.408 2.504 1.00 0.23 H new ATOM 0 HG LEU A 60 4.003 -1.043 0.715 1.00 0.49 H new ATOM 0 HD11 LEU A 60 1.528 -1.279 0.180 1.00 1.10 H new ATOM 0 HD12 LEU A 60 2.469 -2.667 -0.416 1.00 1.10 H new ATOM 0 HD13 LEU A 60 1.514 -2.815 1.078 1.00 1.10 H new ATOM 0 HD21 LEU A 60 2.156 -0.065 2.094 1.00 0.94 H new ATOM 0 HD22 LEU A 60 2.128 -1.554 3.069 1.00 0.94 H new ATOM 0 HD23 LEU A 60 3.569 -0.509 3.080 1.00 0.94 H new ATOM 892 N GLN A 61 6.667 -4.716 2.056 1.00 0.23 N ATOM 893 CA GLN A 61 7.395 -5.892 2.511 1.00 0.31 C ATOM 894 C GLN A 61 8.593 -5.441 3.354 1.00 0.34 C ATOM 895 O GLN A 61 8.748 -5.883 4.490 1.00 0.38 O ATOM 896 CB GLN A 61 7.823 -6.782 1.326 1.00 0.37 C ATOM 897 CG GLN A 61 7.122 -8.151 1.301 1.00 0.59 C ATOM 898 CD GLN A 61 5.621 -8.088 1.001 1.00 1.64 C ATOM 899 OE1 GLN A 61 4.833 -7.644 1.829 1.00 3.65 O ATOM 900 NE2 GLN A 61 5.197 -8.583 -0.159 1.00 0.88 N ATOM 0 H GLN A 61 6.533 -4.677 1.046 1.00 0.23 H new ATOM 0 HA GLN A 61 6.742 -6.506 3.131 1.00 0.31 H new ATOM 0 HB2 GLN A 61 7.612 -6.258 0.394 1.00 0.37 H new ATOM 0 HB3 GLN A 61 8.901 -6.936 1.368 1.00 0.37 H new ATOM 0 HG2 GLN A 61 7.604 -8.779 0.551 1.00 0.59 H new ATOM 0 HG3 GLN A 61 7.267 -8.638 2.265 1.00 0.59 H new ATOM 0 HE21 GLN A 61 5.869 -8.947 -0.834 1.00 0.88 H new ATOM 0 HE22 GLN A 61 4.200 -8.598 -0.373 1.00 0.88 H new ATOM 909 N LYS A 62 9.412 -4.527 2.819 1.00 0.33 N ATOM 910 CA LYS A 62 10.539 -3.965 3.558 1.00 0.36 C ATOM 911 C LYS A 62 10.061 -3.296 4.852 1.00 0.38 C ATOM 912 O LYS A 62 10.652 -3.501 5.909 1.00 0.50 O ATOM 913 CB LYS A 62 11.305 -2.967 2.673 1.00 0.43 C ATOM 914 CG LYS A 62 12.501 -2.341 3.409 1.00 1.34 C ATOM 915 CD LYS A 62 13.047 -1.132 2.639 1.00 1.68 C ATOM 916 CE LYS A 62 14.060 -0.374 3.512 1.00 2.95 C ATOM 917 NZ LYS A 62 14.530 0.869 2.868 1.00 3.82 N ATOM 0 H LYS A 62 9.311 -4.162 1.872 1.00 0.33 H new ATOM 0 HA LYS A 62 11.216 -4.774 3.832 1.00 0.36 H new ATOM 0 HB2 LYS A 62 11.658 -3.475 1.776 1.00 0.43 H new ATOM 0 HB3 LYS A 62 10.627 -2.178 2.347 1.00 0.43 H new ATOM 0 HG2 LYS A 62 12.197 -2.033 4.409 1.00 1.34 H new ATOM 0 HG3 LYS A 62 13.288 -3.085 3.531 1.00 1.34 H new ATOM 0 HD2 LYS A 62 13.524 -1.462 1.716 1.00 1.68 H new ATOM 0 HD3 LYS A 62 12.229 -0.469 2.356 1.00 1.68 H new ATOM 0 HE2 LYS A 62 13.602 -0.134 4.472 1.00 2.95 H new ATOM 0 HE3 LYS A 62 14.914 -1.019 3.719 1.00 2.95 H new ATOM 0 HZ1 LYS A 62 15.211 1.347 3.492 1.00 3.82 H new ATOM 0 HZ2 LYS A 62 14.991 0.639 1.964 1.00 3.82 H new ATOM 0 HZ3 LYS A 62 13.720 1.497 2.694 1.00 3.82 H new ATOM 931 N ALA A 63 9.041 -2.438 4.752 1.00 0.30 N ATOM 932 CA ALA A 63 8.523 -1.654 5.865 1.00 0.32 C ATOM 933 C ALA A 63 8.128 -2.558 7.031 1.00 0.34 C ATOM 934 O ALA A 63 8.356 -2.204 8.185 1.00 0.43 O ATOM 935 CB ALA A 63 7.339 -0.802 5.402 1.00 0.33 C ATOM 0 H ALA A 63 8.546 -2.270 3.876 1.00 0.30 H new ATOM 0 HA ALA A 63 9.310 -0.987 6.218 1.00 0.32 H new ATOM 0 HB1 ALA A 63 6.959 -0.220 6.242 1.00 0.33 H new ATOM 0 HB2 ALA A 63 7.664 -0.127 4.610 1.00 0.33 H new ATOM 0 HB3 ALA A 63 6.549 -1.451 5.024 1.00 0.33 H new ATOM 941 N GLY A 64 7.556 -3.722 6.714 1.00 0.37 N ATOM 942 CA GLY A 64 7.313 -4.790 7.670 1.00 0.46 C ATOM 943 C GLY A 64 5.857 -5.223 7.623 1.00 0.47 C ATOM 944 O GLY A 64 5.188 -5.268 8.654 1.00 0.68 O ATOM 0 H GLY A 64 7.246 -3.947 5.769 1.00 0.37 H new ATOM 0 HA2 GLY A 64 7.959 -5.639 7.448 1.00 0.46 H new ATOM 0 HA3 GLY A 64 7.566 -4.452 8.675 1.00 0.46 H new ATOM 948 N TYR A 65 5.368 -5.546 6.424 1.00 0.35 N ATOM 949 CA TYR A 65 4.024 -6.058 6.212 1.00 0.42 C ATOM 950 C TYR A 65 4.094 -7.341 5.394 1.00 0.39 C ATOM 951 O TYR A 65 5.163 -7.724 4.921 1.00 1.04 O ATOM 952 CB TYR A 65 3.180 -4.986 5.515 1.00 0.64 C ATOM 953 CG TYR A 65 3.078 -3.688 6.294 1.00 0.73 C ATOM 954 CD1 TYR A 65 2.596 -3.715 7.614 1.00 1.65 C ATOM 955 CD2 TYR A 65 3.598 -2.489 5.770 1.00 2.04 C ATOM 956 CE1 TYR A 65 2.710 -2.582 8.431 1.00 1.74 C ATOM 957 CE2 TYR A 65 3.629 -1.326 6.562 1.00 2.05 C ATOM 958 CZ TYR A 65 3.213 -1.384 7.904 1.00 0.94 C ATOM 959 OH TYR A 65 3.325 -0.297 8.714 1.00 1.08 O ATOM 0 H TYR A 65 5.908 -5.456 5.563 1.00 0.35 H new ATOM 0 HA TYR A 65 3.551 -6.294 7.165 1.00 0.42 H new ATOM 0 HB2 TYR A 65 3.610 -4.778 4.535 1.00 0.64 H new ATOM 0 HB3 TYR A 65 2.177 -5.378 5.347 1.00 0.64 H new ATOM 0 HD1 TYR A 65 2.136 -4.612 8.000 1.00 1.65 H new ATOM 0 HD2 TYR A 65 3.974 -2.462 4.758 1.00 2.04 H new ATOM 0 HE1 TYR A 65 2.410 -2.632 9.467 1.00 1.74 H new ATOM 0 HE2 TYR A 65 3.971 -0.392 6.141 1.00 2.05 H new ATOM 0 HH TYR A 65 2.672 0.382 8.443 1.00 1.08 H new ATOM 969 N SER A 66 2.947 -8.001 5.232 1.00 0.65 N ATOM 970 CA SER A 66 2.780 -9.107 4.312 1.00 0.55 C ATOM 971 C SER A 66 1.521 -8.825 3.495 1.00 0.53 C ATOM 972 O SER A 66 0.518 -8.381 4.059 1.00 0.74 O ATOM 973 CB SER A 66 2.715 -10.426 5.092 1.00 0.62 C ATOM 974 OG SER A 66 1.664 -10.440 6.038 1.00 2.13 O ATOM 0 H SER A 66 2.098 -7.772 5.749 1.00 0.65 H new ATOM 0 HA SER A 66 3.623 -9.206 3.629 1.00 0.55 H new ATOM 0 HB2 SER A 66 2.583 -11.252 4.393 1.00 0.62 H new ATOM 0 HB3 SER A 66 3.663 -10.590 5.604 1.00 0.62 H new ATOM 0 HG SER A 66 1.716 -9.636 6.597 1.00 2.13 H new ATOM 980 N LEU A 67 1.607 -9.030 2.178 1.00 0.56 N ATOM 981 CA LEU A 67 0.557 -8.843 1.198 1.00 0.59 C ATOM 982 C LEU A 67 0.877 -9.718 -0.003 1.00 0.61 C ATOM 983 O LEU A 67 1.967 -10.284 -0.069 1.00 0.61 O ATOM 984 CB LEU A 67 0.472 -7.381 0.771 1.00 0.48 C ATOM 985 CG LEU A 67 1.816 -6.820 0.301 1.00 0.35 C ATOM 986 CD1 LEU A 67 1.997 -6.863 -1.205 1.00 0.80 C ATOM 987 CD2 LEU A 67 1.967 -5.382 0.771 1.00 0.87 C ATOM 0 H LEU A 67 2.474 -9.353 1.749 1.00 0.56 H new ATOM 0 HA LEU A 67 -0.405 -9.120 1.628 1.00 0.59 H new ATOM 0 HB2 LEU A 67 -0.258 -7.284 -0.033 1.00 0.48 H new ATOM 0 HB3 LEU A 67 0.107 -6.784 1.607 1.00 0.48 H new ATOM 0 HG LEU A 67 2.582 -7.460 0.738 1.00 0.35 H new ATOM 0 HD11 LEU A 67 2.971 -6.450 -1.466 1.00 0.80 H new ATOM 0 HD12 LEU A 67 1.936 -7.895 -1.549 1.00 0.80 H new ATOM 0 HD13 LEU A 67 1.213 -6.275 -1.683 1.00 0.80 H new ATOM 0 HD21 LEU A 67 2.926 -4.988 0.434 1.00 0.87 H new ATOM 0 HD22 LEU A 67 1.160 -4.777 0.357 1.00 0.87 H new ATOM 0 HD23 LEU A 67 1.924 -5.349 1.860 1.00 0.87 H new ATOM 999 N ARG A 68 -0.085 -9.832 -0.924 1.00 0.79 N ATOM 1000 CA ARG A 68 -0.052 -10.733 -2.065 1.00 0.85 C ATOM 1001 C ARG A 68 -0.857 -10.081 -3.190 1.00 1.07 C ATOM 1002 O ARG A 68 -2.093 -10.109 -3.103 1.00 1.73 O ATOM 1003 CB ARG A 68 -0.676 -12.090 -1.688 1.00 0.99 C ATOM 1004 CG ARG A 68 -0.266 -12.616 -0.308 1.00 0.75 C ATOM 1005 CD ARG A 68 -0.403 -14.140 -0.237 1.00 1.25 C ATOM 1006 NE ARG A 68 0.029 -14.652 1.074 1.00 1.75 N ATOM 1007 CZ ARG A 68 0.087 -15.952 1.407 1.00 2.65 C ATOM 1008 NH1 ARG A 68 -0.265 -16.881 0.512 1.00 3.18 N ATOM 1009 NH2 ARG A 68 0.496 -16.316 2.629 1.00 3.61 N ATOM 0 H ARG A 68 -0.938 -9.275 -0.888 1.00 0.79 H new ATOM 0 HA ARG A 68 0.976 -10.911 -2.381 1.00 0.85 H new ATOM 0 HB2 ARG A 68 -1.762 -11.998 -1.720 1.00 0.99 H new ATOM 0 HB3 ARG A 68 -0.396 -12.826 -2.441 1.00 0.99 H new ATOM 0 HG2 ARG A 68 0.765 -12.330 -0.098 1.00 0.75 H new ATOM 0 HG3 ARG A 68 -0.888 -12.155 0.460 1.00 0.75 H new ATOM 0 HD2 ARG A 68 -1.440 -14.424 -0.418 1.00 1.25 H new ATOM 0 HD3 ARG A 68 0.195 -14.599 -1.025 1.00 1.25 H new ATOM 0 HE ARG A 68 0.304 -13.970 1.781 1.00 1.75 H new ATOM 0 HH11 ARG A 68 -0.576 -16.601 -0.418 1.00 3.18 H new ATOM 0 HH12 ARG A 68 -0.223 -17.870 0.760 1.00 3.18 H new ATOM 0 HH21 ARG A 68 0.764 -15.605 3.310 1.00 3.61 H new ATOM 0 HH22 ARG A 68 0.539 -17.304 2.879 1.00 3.61 H new ATOM 1023 N ASP A 69 -0.172 -9.447 -4.158 1.00 0.73 N ATOM 1024 CA ASP A 69 -0.775 -8.554 -5.144 1.00 0.69 C ATOM 1025 C ASP A 69 -2.228 -8.854 -5.459 1.00 0.57 C ATOM 1026 O ASP A 69 -2.578 -9.842 -6.100 1.00 0.86 O ATOM 1027 CB ASP A 69 0.071 -8.260 -6.381 1.00 0.91 C ATOM 1028 CG ASP A 69 -0.017 -9.273 -7.509 1.00 1.78 C ATOM 1029 OD1 ASP A 69 0.205 -10.473 -7.250 1.00 2.69 O ATOM 1030 OD2 ASP A 69 -0.251 -8.785 -8.641 1.00 2.72 O ATOM 0 H ASP A 69 0.836 -9.548 -4.273 1.00 0.73 H new ATOM 0 HA ASP A 69 -0.789 -7.601 -4.615 1.00 0.69 H new ATOM 0 HB2 ASP A 69 -0.221 -7.285 -6.772 1.00 0.91 H new ATOM 0 HB3 ASP A 69 1.113 -8.180 -6.072 1.00 0.91 H new ATOM 1035 N GLU A 70 -3.097 -8.021 -4.890 1.00 0.39 N ATOM 1036 CA GLU A 70 -4.502 -8.268 -4.998 1.00 0.48 C ATOM 1037 C GLU A 70 -4.968 -7.771 -6.348 1.00 0.58 C ATOM 1038 O GLU A 70 -4.288 -7.019 -7.047 1.00 0.69 O ATOM 1039 CB GLU A 70 -5.220 -7.590 -3.843 1.00 0.64 C ATOM 1040 CG GLU A 70 -6.633 -8.100 -3.615 1.00 0.69 C ATOM 1041 CD GLU A 70 -6.930 -7.914 -2.153 1.00 2.35 C ATOM 1042 OE1 GLU A 70 -7.281 -6.776 -1.775 1.00 3.88 O ATOM 1043 OE2 GLU A 70 -6.635 -8.913 -1.466 1.00 3.39 O ATOM 0 H GLU A 70 -2.842 -7.187 -4.361 1.00 0.39 H new ATOM 0 HA GLU A 70 -4.728 -9.332 -4.934 1.00 0.48 H new ATOM 0 HB2 GLU A 70 -4.640 -7.735 -2.932 1.00 0.64 H new ATOM 0 HB3 GLU A 70 -5.257 -6.517 -4.030 1.00 0.64 H new ATOM 0 HG2 GLU A 70 -7.347 -7.549 -4.228 1.00 0.69 H new ATOM 0 HG3 GLU A 70 -6.715 -9.150 -3.896 1.00 0.69 H new ATOM 1050 N GLN A 71 -6.159 -8.231 -6.692 1.00 0.73 N ATOM 1051 CA GLN A 71 -6.787 -7.861 -7.934 1.00 0.83 C ATOM 1052 C GLN A 71 -6.906 -6.342 -8.014 1.00 0.81 C ATOM 1053 O GLN A 71 -7.108 -5.666 -7.004 1.00 0.98 O ATOM 1054 CB GLN A 71 -8.134 -8.580 -8.115 1.00 1.00 C ATOM 1055 CG GLN A 71 -8.081 -9.589 -9.269 1.00 2.09 C ATOM 1056 CD GLN A 71 -8.037 -8.914 -10.641 1.00 3.47 C ATOM 1057 OE1 GLN A 71 -6.881 -8.400 -11.060 1.00 3.78 O flip ATOM 1058 NE2 GLN A 71 -9.038 -8.856 -11.340 1.00 5.16 N flip ATOM 0 H GLN A 71 -6.710 -8.868 -6.116 1.00 0.73 H new ATOM 0 HA GLN A 71 -6.164 -8.187 -8.767 1.00 0.83 H new ATOM 0 HB2 GLN A 71 -8.400 -9.095 -7.192 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -8.917 -7.846 -8.307 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -7.202 -10.223 -9.152 1.00 2.09 H new ATOM 0 HG3 GLN A 71 -8.953 -10.241 -9.217 1.00 2.09 H new ATOM 0 HE21 GLN A 71 -9.916 -9.254 -11.007 1.00 5.16 H new ATOM 0 HE22 GLN A 71 -8.995 -8.410 -12.256 1.00 5.16 H new ATOM 1067 N ALA A 72 -6.746 -5.816 -9.228 1.00 0.76 N ATOM 1068 CA ALA A 72 -6.849 -4.395 -9.486 1.00 0.77 C ATOM 1069 C ALA A 72 -8.223 -3.915 -9.030 1.00 0.85 C ATOM 1070 O ALA A 72 -8.350 -3.042 -8.173 1.00 1.64 O ATOM 1071 CB ALA A 72 -6.603 -4.142 -10.977 1.00 0.91 C ATOM 0 H ALA A 72 -6.541 -6.372 -10.058 1.00 0.76 H new ATOM 0 HA ALA A 72 -6.099 -3.833 -8.930 1.00 0.77 H new ATOM 0 HB1 ALA A 72 -6.678 -3.074 -11.182 1.00 0.91 H new ATOM 0 HB2 ALA A 72 -5.607 -4.494 -11.246 1.00 0.91 H new ATOM 0 HB3 ALA A 72 -7.348 -4.678 -11.565 1.00 0.91 H new ATOM 1077 N ALA A 73 -9.246 -4.554 -9.596 1.00 1.23 N ATOM 1078 CA ALA A 73 -10.656 -4.372 -9.325 1.00 1.37 C ATOM 1079 C ALA A 73 -11.378 -5.400 -10.200 1.00 1.70 C ATOM 1080 O ALA A 73 -10.715 -6.082 -10.984 1.00 2.46 O ATOM 1081 CB ALA A 73 -11.064 -2.934 -9.658 1.00 1.35 C ATOM 0 H ALA A 73 -9.089 -5.266 -10.310 1.00 1.23 H new ATOM 0 HA ALA A 73 -10.910 -4.524 -8.276 1.00 1.37 H new ATOM 0 HB1 ALA A 73 -12.126 -2.800 -9.453 1.00 1.35 H new ATOM 0 HB2 ALA A 73 -10.486 -2.241 -9.046 1.00 1.35 H new ATOM 0 HB3 ALA A 73 -10.870 -2.736 -10.712 1.00 1.35 H new ATOM 1087 N GLU A 74 -12.699 -5.492 -10.074 1.00 2.17 N ATOM 1088 CA GLU A 74 -13.578 -6.259 -10.934 1.00 2.71 C ATOM 1089 C GLU A 74 -14.750 -5.316 -11.213 1.00 3.93 C ATOM 1090 O GLU A 74 -14.893 -4.364 -10.405 1.00 4.77 O ATOM 1091 CB GLU A 74 -14.051 -7.535 -10.222 1.00 3.37 C ATOM 1092 CG GLU A 74 -12.895 -8.469 -9.833 1.00 3.90 C ATOM 1093 CD GLU A 74 -13.405 -9.758 -9.201 1.00 5.10 C ATOM 1094 OE1 GLU A 74 -13.977 -10.574 -9.954 1.00 5.91 O ATOM 1095 OE2 GLU A 74 -13.217 -9.903 -7.973 1.00 5.74 O ATOM 1096 OXT GLU A 74 -15.462 -5.543 -12.214 1.00 4.79 O ATOM 0 H GLU A 74 -13.204 -5.008 -9.332 1.00 2.17 H new ATOM 0 HA GLU A 74 -13.088 -6.589 -11.850 1.00 2.71 H new ATOM 0 HB2 GLU A 74 -14.606 -7.260 -9.325 1.00 3.37 H new ATOM 0 HB3 GLU A 74 -14.742 -8.072 -10.872 1.00 3.37 H new ATOM 0 HG2 GLU A 74 -12.304 -8.706 -10.718 1.00 3.90 H new ATOM 0 HG3 GLU A 74 -12.232 -7.958 -9.135 1.00 3.90 H new TER 1103 GLU A 74