USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=15 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 28 GLN : amide:sc= -0.65 K(o=-0.36,f=-2.6) USER MOD Set 1.2: A 62 LYS NZ :NH3+ 179:sc= 0.294 (180deg=-0.0237) USER MOD Set 2.1: A 18 CYS SG : rot 180:sc= 0.455 USER MOD Set 2.2: A 65 TYR OH : rot -26:sc= 0.511 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot -64:sc= 1.27 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -144:sc= 1.06 (180deg=0.619) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 174:sc= 0 (180deg=-0.031) USER MOD Single : A 15 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= 0.882 K(o=0.88,f=-0.13) USER MOD Single : A 33 ASN : amide:sc= 2.2 K(o=2.2,f=-0.29) USER MOD Single : A 34 GLN : amide:sc= 1.16 K(o=1.2,f=-0.11) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot -160:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -164:sc= 0.992 (180deg=-0.0461) USER MOD Single : A 50 ASN : amide:sc= -0.984 X(o=-0.98,f=-0.7) USER MOD Single : A 55 GLN : amide:sc= -0.0651 K(o=-0.065,f=-1.6!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 1.2 K(o=1.2,f=-0.13) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.388 K(o=0.39,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -8.713 8.364 -13.440 1.00 4.28 N ATOM 2 CA SER A 2 -7.569 8.787 -14.249 1.00 3.14 C ATOM 3 C SER A 2 -6.622 7.588 -14.310 1.00 1.86 C ATOM 4 O SER A 2 -6.638 6.843 -15.289 1.00 2.04 O ATOM 5 CB SER A 2 -6.863 10.040 -13.699 1.00 4.62 C ATOM 6 OG SER A 2 -7.507 11.213 -14.153 1.00 5.52 O ATOM 0 HA SER A 2 -7.907 9.083 -15.242 1.00 3.14 H new ATOM 0 HB2 SER A 2 -6.865 10.016 -12.609 1.00 4.62 H new ATOM 0 HB3 SER A 2 -5.820 10.045 -14.016 1.00 4.62 H new ATOM 0 HG SER A 2 -7.046 11.999 -13.793 1.00 5.52 H new ATOM 12 N GLY A 3 -5.870 7.365 -13.231 1.00 1.68 N ATOM 13 CA GLY A 3 -4.956 6.246 -13.130 1.00 0.92 C ATOM 14 C GLY A 3 -5.694 4.941 -12.880 1.00 0.78 C ATOM 15 O GLY A 3 -6.925 4.881 -12.914 1.00 1.28 O ATOM 0 H GLY A 3 -5.884 7.962 -12.404 1.00 1.68 H new ATOM 0 HA2 GLY A 3 -4.375 6.166 -14.049 1.00 0.92 H new ATOM 0 HA3 GLY A 3 -4.249 6.425 -12.320 1.00 0.92 H new ATOM 19 N THR A 4 -4.920 3.888 -12.611 1.00 0.57 N ATOM 20 CA THR A 4 -5.461 2.580 -12.290 1.00 0.43 C ATOM 21 C THR A 4 -5.433 2.436 -10.784 1.00 0.38 C ATOM 22 O THR A 4 -4.511 2.909 -10.118 1.00 0.49 O ATOM 23 CB THR A 4 -4.645 1.462 -12.944 1.00 0.51 C ATOM 24 OG1 THR A 4 -4.373 1.840 -14.263 1.00 0.85 O ATOM 25 CG2 THR A 4 -5.395 0.127 -12.965 1.00 0.70 C ATOM 0 H THR A 4 -3.901 3.925 -12.611 1.00 0.57 H new ATOM 0 HA THR A 4 -6.479 2.497 -12.672 1.00 0.43 H new ATOM 0 HB THR A 4 -3.734 1.320 -12.362 1.00 0.51 H new ATOM 0 HG1 THR A 4 -3.849 1.139 -14.703 1.00 0.85 H new ATOM 0 HG21 THR A 4 -4.773 -0.632 -13.439 1.00 0.70 H new ATOM 0 HG22 THR A 4 -5.624 -0.178 -11.944 1.00 0.70 H new ATOM 0 HG23 THR A 4 -6.322 0.239 -13.527 1.00 0.70 H new ATOM 33 N ARG A 5 -6.450 1.756 -10.270 1.00 0.32 N ATOM 34 CA ARG A 5 -6.568 1.466 -8.862 1.00 0.33 C ATOM 35 C ARG A 5 -6.089 0.039 -8.615 1.00 0.33 C ATOM 36 O ARG A 5 -6.608 -0.916 -9.187 1.00 0.60 O ATOM 37 CB ARG A 5 -8.012 1.659 -8.415 1.00 0.54 C ATOM 38 CG ARG A 5 -8.095 1.459 -6.896 1.00 0.64 C ATOM 39 CD ARG A 5 -9.430 0.853 -6.485 1.00 0.86 C ATOM 40 NE ARG A 5 -10.473 1.883 -6.351 1.00 1.51 N ATOM 41 CZ ARG A 5 -11.282 2.340 -7.321 1.00 2.40 C ATOM 42 NH1 ARG A 5 -11.275 1.777 -8.533 1.00 3.06 N ATOM 43 NH2 ARG A 5 -12.098 3.370 -7.069 1.00 3.48 N ATOM 0 H ARG A 5 -7.219 1.390 -10.831 1.00 0.32 H new ATOM 0 HA ARG A 5 -5.949 2.147 -8.278 1.00 0.33 H new ATOM 0 HB2 ARG A 5 -8.359 2.657 -8.683 1.00 0.54 H new ATOM 0 HB3 ARG A 5 -8.662 0.948 -8.925 1.00 0.54 H new ATOM 0 HG2 ARG A 5 -7.283 0.809 -6.569 1.00 0.64 H new ATOM 0 HG3 ARG A 5 -7.959 2.417 -6.394 1.00 0.64 H new ATOM 0 HD2 ARG A 5 -9.739 0.115 -7.226 1.00 0.86 H new ATOM 0 HD3 ARG A 5 -9.315 0.325 -5.538 1.00 0.86 H new ATOM 0 HE ARG A 5 -10.594 2.293 -5.425 1.00 1.51 H new ATOM 0 HH11 ARG A 5 -10.652 0.993 -8.728 1.00 3.06 H new ATOM 0 HH12 ARG A 5 -11.893 2.131 -9.263 1.00 3.06 H new ATOM 0 HH21 ARG A 5 -12.103 3.803 -6.145 1.00 3.48 H new ATOM 0 HH22 ARG A 5 -12.715 3.723 -7.801 1.00 3.48 H new ATOM 57 N TYR A 6 -5.115 -0.084 -7.724 1.00 0.23 N ATOM 58 CA TYR A 6 -4.568 -1.335 -7.239 1.00 0.24 C ATOM 59 C TYR A 6 -4.969 -1.605 -5.798 1.00 0.24 C ATOM 60 O TYR A 6 -4.859 -0.695 -4.980 1.00 0.34 O ATOM 61 CB TYR A 6 -3.066 -1.277 -7.425 1.00 0.28 C ATOM 62 CG TYR A 6 -2.643 -0.863 -8.813 1.00 0.34 C ATOM 63 CD1 TYR A 6 -3.189 -1.526 -9.923 1.00 1.76 C ATOM 64 CD2 TYR A 6 -1.761 0.212 -9.005 1.00 1.60 C ATOM 65 CE1 TYR A 6 -2.784 -1.187 -11.217 1.00 1.80 C ATOM 66 CE2 TYR A 6 -1.343 0.535 -10.305 1.00 1.65 C ATOM 67 CZ TYR A 6 -1.793 -0.211 -11.408 1.00 0.70 C ATOM 68 OH TYR A 6 -1.399 0.140 -12.664 1.00 0.93 O ATOM 0 H TYR A 6 -4.666 0.728 -7.302 1.00 0.23 H new ATOM 0 HA TYR A 6 -4.973 -2.173 -7.807 1.00 0.24 H new ATOM 0 HB2 TYR A 6 -2.646 -0.577 -6.703 1.00 0.28 H new ATOM 0 HB3 TYR A 6 -2.643 -2.257 -7.203 1.00 0.28 H new ATOM 0 HD1 TYR A 6 -3.926 -2.302 -9.777 1.00 1.76 H new ATOM 0 HD2 TYR A 6 -1.408 0.785 -8.160 1.00 1.60 H new ATOM 0 HE1 TYR A 6 -3.233 -1.675 -12.069 1.00 1.80 H new ATOM 0 HE2 TYR A 6 -0.669 1.365 -10.460 1.00 1.65 H new ATOM 0 HH TYR A 6 -0.980 -0.630 -13.103 1.00 0.93 H new ATOM 78 N SER A 7 -5.424 -2.833 -5.490 1.00 0.26 N ATOM 79 CA SER A 7 -5.696 -3.273 -4.127 1.00 0.27 C ATOM 80 C SER A 7 -4.608 -4.250 -3.661 1.00 0.26 C ATOM 81 O SER A 7 -4.006 -4.939 -4.493 1.00 0.29 O ATOM 82 CB SER A 7 -7.091 -3.910 -4.084 1.00 0.32 C ATOM 83 OG SER A 7 -7.385 -4.392 -2.787 1.00 2.02 O ATOM 0 H SER A 7 -5.612 -3.548 -6.193 1.00 0.26 H new ATOM 0 HA SER A 7 -5.680 -2.424 -3.444 1.00 0.27 H new ATOM 0 HB2 SER A 7 -7.840 -3.176 -4.382 1.00 0.32 H new ATOM 0 HB3 SER A 7 -7.144 -4.729 -4.801 1.00 0.32 H new ATOM 0 HG SER A 7 -8.279 -4.792 -2.782 1.00 2.02 H new ATOM 89 N TRP A 8 -4.367 -4.326 -2.345 1.00 0.25 N ATOM 90 CA TRP A 8 -3.618 -5.398 -1.693 1.00 0.29 C ATOM 91 C TRP A 8 -4.315 -5.775 -0.379 1.00 0.30 C ATOM 92 O TRP A 8 -5.031 -4.948 0.191 1.00 0.37 O ATOM 93 CB TRP A 8 -2.196 -4.952 -1.358 1.00 0.32 C ATOM 94 CG TRP A 8 -1.300 -4.406 -2.423 1.00 0.34 C ATOM 95 CD1 TRP A 8 -0.137 -4.924 -2.843 1.00 0.48 C ATOM 96 CD2 TRP A 8 -1.374 -3.155 -3.134 1.00 0.40 C ATOM 97 NE1 TRP A 8 0.597 -3.874 -3.405 1.00 0.80 N ATOM 98 CE2 TRP A 8 -0.057 -2.651 -3.231 1.00 0.81 C ATOM 99 CE3 TRP A 8 -2.084 -2.774 -4.287 1.00 0.80 C ATOM 100 CZ2 TRP A 8 0.042 -1.393 -3.880 1.00 1.04 C ATOM 101 CZ3 TRP A 8 -1.290 -2.440 -5.429 1.00 0.76 C ATOM 102 CH2 TRP A 8 -0.328 -1.458 -5.212 1.00 0.46 C ATOM 0 H TRP A 8 -4.700 -3.620 -1.689 1.00 0.25 H new ATOM 0 HA TRP A 8 -3.579 -6.246 -2.377 1.00 0.29 H new ATOM 0 HB2 TRP A 8 -2.272 -4.191 -0.581 1.00 0.32 H new ATOM 0 HB3 TRP A 8 -1.686 -5.808 -0.917 1.00 0.32 H new ATOM 0 HD1 TRP A 8 0.174 -5.955 -2.763 1.00 0.48 H new ATOM 0 HE1 TRP A 8 1.493 -3.986 -3.880 1.00 0.80 H new ATOM 0 HE3 TRP A 8 -3.163 -2.736 -4.309 1.00 0.80 H new ATOM 0 HZ2 TRP A 8 0.369 -0.488 -3.390 1.00 1.04 H new ATOM 0 HZ3 TRP A 8 -1.427 -2.915 -6.389 1.00 0.76 H new ATOM 0 HH2 TRP A 8 0.079 -0.825 -5.987 1.00 0.46 H new ATOM 113 N LYS A 9 -4.048 -6.984 0.135 1.00 0.31 N ATOM 114 CA LYS A 9 -4.433 -7.412 1.476 1.00 0.30 C ATOM 115 C LYS A 9 -3.151 -7.404 2.286 1.00 0.40 C ATOM 116 O LYS A 9 -2.198 -8.055 1.860 1.00 0.66 O ATOM 117 CB LYS A 9 -4.995 -8.843 1.468 1.00 0.41 C ATOM 118 CG LYS A 9 -6.308 -8.941 0.691 1.00 1.62 C ATOM 119 CD LYS A 9 -6.171 -9.822 -0.553 1.00 1.24 C ATOM 120 CE LYS A 9 -6.361 -11.329 -0.363 1.00 1.19 C ATOM 121 NZ LYS A 9 -6.582 -11.979 -1.677 1.00 1.86 N ATOM 0 H LYS A 9 -3.547 -7.703 -0.386 1.00 0.31 H new ATOM 0 HA LYS A 9 -5.204 -6.756 1.880 1.00 0.30 H new ATOM 0 HB2 LYS A 9 -4.262 -9.518 1.026 1.00 0.41 H new ATOM 0 HB3 LYS A 9 -5.156 -9.175 2.494 1.00 0.41 H new ATOM 0 HG2 LYS A 9 -7.084 -9.347 1.340 1.00 1.62 H new ATOM 0 HG3 LYS A 9 -6.630 -7.943 0.395 1.00 1.62 H new ATOM 0 HD2 LYS A 9 -6.896 -9.480 -1.292 1.00 1.24 H new ATOM 0 HD3 LYS A 9 -5.181 -9.656 -0.978 1.00 1.24 H new ATOM 0 HE2 LYS A 9 -5.483 -11.757 0.121 1.00 1.19 H new ATOM 0 HE3 LYS A 9 -7.211 -11.517 0.293 1.00 1.19 H new ATOM 0 HZ1 LYS A 9 -7.264 -12.757 -1.569 1.00 1.86 H new ATOM 0 HZ2 LYS A 9 -6.957 -11.281 -2.351 1.00 1.86 H new ATOM 0 HZ3 LYS A 9 -5.681 -12.356 -2.034 1.00 1.86 H new ATOM 135 N VAL A 10 -3.115 -6.674 3.400 1.00 0.33 N ATOM 136 CA VAL A 10 -2.004 -6.654 4.331 1.00 0.39 C ATOM 137 C VAL A 10 -2.365 -7.455 5.588 1.00 0.51 C ATOM 138 O VAL A 10 -3.529 -7.778 5.809 1.00 1.07 O ATOM 139 CB VAL A 10 -1.641 -5.192 4.664 1.00 0.47 C ATOM 140 CG1 VAL A 10 -0.149 -5.101 4.975 1.00 0.58 C ATOM 141 CG2 VAL A 10 -1.919 -4.220 3.508 1.00 0.49 C ATOM 0 H VAL A 10 -3.883 -6.065 3.681 1.00 0.33 H new ATOM 0 HA VAL A 10 -1.129 -7.124 3.882 1.00 0.39 H new ATOM 0 HB VAL A 10 -2.263 -4.909 5.513 1.00 0.47 H new ATOM 0 HG11 VAL A 10 0.111 -4.069 5.211 1.00 0.58 H new ATOM 0 HG12 VAL A 10 0.084 -5.738 5.828 1.00 0.58 H new ATOM 0 HG13 VAL A 10 0.424 -5.431 4.108 1.00 0.58 H new ATOM 0 HG21 VAL A 10 -1.642 -3.209 3.808 1.00 0.49 H new ATOM 0 HG22 VAL A 10 -1.333 -4.514 2.637 1.00 0.49 H new ATOM 0 HG23 VAL A 10 -2.980 -4.246 3.258 1.00 0.49 H new ATOM 151 N SER A 11 -1.358 -7.755 6.411 1.00 0.28 N ATOM 152 CA SER A 11 -1.506 -8.221 7.778 1.00 0.37 C ATOM 153 C SER A 11 -0.487 -7.471 8.638 1.00 0.48 C ATOM 154 O SER A 11 0.712 -7.595 8.399 1.00 0.77 O ATOM 155 CB SER A 11 -1.268 -9.734 7.838 1.00 0.60 C ATOM 156 OG SER A 11 -2.465 -10.430 7.538 1.00 1.07 O ATOM 0 H SER A 11 -0.382 -7.675 6.126 1.00 0.28 H new ATOM 0 HA SER A 11 -2.513 -8.029 8.149 1.00 0.37 H new ATOM 0 HB2 SER A 11 -0.488 -10.015 7.130 1.00 0.60 H new ATOM 0 HB3 SER A 11 -0.914 -10.015 8.830 1.00 0.60 H new ATOM 0 HG SER A 11 -2.301 -11.395 7.578 1.00 1.07 H new ATOM 162 N GLY A 12 -0.964 -6.692 9.614 1.00 0.48 N ATOM 163 CA GLY A 12 -0.174 -5.955 10.591 1.00 0.67 C ATOM 164 C GLY A 12 -0.646 -4.504 10.720 1.00 0.75 C ATOM 165 O GLY A 12 -0.489 -3.884 11.773 1.00 0.98 O ATOM 0 H GLY A 12 -1.966 -6.555 9.746 1.00 0.48 H new ATOM 0 HA2 GLY A 12 -0.242 -6.448 11.561 1.00 0.67 H new ATOM 0 HA3 GLY A 12 0.876 -5.972 10.298 1.00 0.67 H new ATOM 169 N MET A 13 -1.182 -3.928 9.641 1.00 0.68 N ATOM 170 CA MET A 13 -1.532 -2.522 9.586 1.00 0.82 C ATOM 171 C MET A 13 -2.838 -2.253 10.341 1.00 1.00 C ATOM 172 O MET A 13 -3.855 -1.975 9.709 1.00 1.39 O ATOM 173 CB MET A 13 -1.624 -2.082 8.118 1.00 0.88 C ATOM 174 CG MET A 13 -1.731 -0.555 8.004 1.00 1.65 C ATOM 175 SD MET A 13 -2.361 0.095 6.434 1.00 1.92 S ATOM 176 CE MET A 13 -4.109 -0.347 6.549 1.00 2.20 C ATOM 0 H MET A 13 -1.383 -4.435 8.779 1.00 0.68 H new ATOM 0 HA MET A 13 -0.756 -1.935 10.078 1.00 0.82 H new ATOM 0 HB2 MET A 13 -0.745 -2.429 7.575 1.00 0.88 H new ATOM 0 HB3 MET A 13 -2.492 -2.546 7.650 1.00 0.88 H new ATOM 0 HG2 MET A 13 -2.377 -0.197 8.806 1.00 1.65 H new ATOM 0 HG3 MET A 13 -0.743 -0.130 8.178 1.00 1.65 H new ATOM 0 HE1 MET A 13 -4.649 0.081 5.704 1.00 2.20 H new ATOM 0 HE2 MET A 13 -4.212 -1.432 6.533 1.00 2.20 H new ATOM 0 HE3 MET A 13 -4.522 0.043 7.479 1.00 2.20 H new ATOM 186 N ASP A 14 -2.790 -2.242 11.676 1.00 0.97 N ATOM 187 CA ASP A 14 -3.888 -1.731 12.492 1.00 1.10 C ATOM 188 C ASP A 14 -3.362 -1.029 13.748 1.00 0.99 C ATOM 189 O ASP A 14 -3.654 -1.413 14.878 1.00 1.44 O ATOM 190 CB ASP A 14 -4.936 -2.821 12.764 1.00 1.64 C ATOM 191 CG ASP A 14 -6.326 -2.204 12.859 1.00 2.53 C ATOM 192 OD1 ASP A 14 -6.831 -1.794 11.790 1.00 3.53 O ATOM 193 OD2 ASP A 14 -6.862 -2.135 13.984 1.00 3.05 O ATOM 0 H ASP A 14 -1.995 -2.585 12.215 1.00 0.97 H new ATOM 0 HA ASP A 14 -4.417 -0.961 11.931 1.00 1.10 H new ATOM 0 HB2 ASP A 14 -4.914 -3.564 11.967 1.00 1.64 H new ATOM 0 HB3 ASP A 14 -4.697 -3.342 13.691 1.00 1.64 H new ATOM 198 N CYS A 15 -2.560 0.024 13.546 1.00 0.59 N ATOM 199 CA CYS A 15 -2.134 0.922 14.615 1.00 0.60 C ATOM 200 C CYS A 15 -1.722 2.260 14.014 1.00 0.88 C ATOM 201 O CYS A 15 -1.146 2.287 12.919 1.00 2.40 O ATOM 202 CB CYS A 15 -0.940 0.347 15.381 1.00 0.83 C ATOM 203 SG CYS A 15 -1.185 0.556 17.163 1.00 1.30 S ATOM 0 H CYS A 15 -2.189 0.274 12.629 1.00 0.59 H new ATOM 0 HA CYS A 15 -2.969 1.046 15.305 1.00 0.60 H new ATOM 0 HB2 CYS A 15 -0.821 -0.710 15.144 1.00 0.83 H new ATOM 0 HB3 CYS A 15 -0.023 0.848 15.071 1.00 0.83 H new ATOM 0 HG CYS A 15 -0.166 0.062 17.802 1.00 1.30 H new ATOM 209 N ALA A 16 -1.987 3.362 14.731 1.00 0.88 N ATOM 210 CA ALA A 16 -1.817 4.727 14.243 1.00 0.91 C ATOM 211 C ALA A 16 -0.351 5.156 14.126 1.00 1.31 C ATOM 212 O ALA A 16 0.116 6.091 14.771 1.00 2.86 O ATOM 213 CB ALA A 16 -2.643 5.694 15.099 1.00 1.04 C ATOM 0 H ALA A 16 -2.334 3.321 15.689 1.00 0.88 H new ATOM 0 HA ALA A 16 -2.195 4.758 13.221 1.00 0.91 H new ATOM 0 HB1 ALA A 16 -2.511 6.711 14.729 1.00 1.04 H new ATOM 0 HB2 ALA A 16 -3.697 5.421 15.042 1.00 1.04 H new ATOM 0 HB3 ALA A 16 -2.309 5.639 16.135 1.00 1.04 H new ATOM 219 N ALA A 17 0.368 4.489 13.233 1.00 0.65 N ATOM 220 CA ALA A 17 1.808 4.564 13.047 1.00 0.76 C ATOM 221 C ALA A 17 2.170 3.762 11.798 1.00 0.59 C ATOM 222 O ALA A 17 2.873 4.253 10.913 1.00 0.60 O ATOM 223 CB ALA A 17 2.525 3.998 14.281 1.00 1.17 C ATOM 0 H ALA A 17 -0.069 3.840 12.578 1.00 0.65 H new ATOM 0 HA ALA A 17 2.122 5.600 12.922 1.00 0.76 H new ATOM 0 HB1 ALA A 17 3.603 4.057 14.134 1.00 1.17 H new ATOM 0 HB2 ALA A 17 2.246 4.577 15.161 1.00 1.17 H new ATOM 0 HB3 ALA A 17 2.235 2.957 14.425 1.00 1.17 H new ATOM 229 N CYS A 18 1.650 2.530 11.713 1.00 0.54 N ATOM 230 CA CYS A 18 1.869 1.666 10.570 1.00 0.49 C ATOM 231 C CYS A 18 1.133 2.253 9.378 1.00 0.32 C ATOM 232 O CYS A 18 1.647 2.213 8.266 1.00 0.31 O ATOM 233 CB CYS A 18 1.402 0.240 10.874 1.00 0.69 C ATOM 234 SG CYS A 18 2.597 -0.561 11.971 1.00 1.80 S ATOM 0 H CYS A 18 1.068 2.115 12.440 1.00 0.54 H new ATOM 0 HA CYS A 18 2.933 1.608 10.341 1.00 0.49 H new ATOM 0 HB2 CYS A 18 0.418 0.260 11.342 1.00 0.69 H new ATOM 0 HB3 CYS A 18 1.304 -0.328 9.949 1.00 0.69 H new ATOM 0 HG CYS A 18 2.202 -1.772 12.232 1.00 1.80 H new ATOM 240 N ALA A 19 -0.044 2.849 9.613 1.00 0.32 N ATOM 241 CA ALA A 19 -0.774 3.521 8.550 1.00 0.38 C ATOM 242 C ALA A 19 0.112 4.547 7.845 1.00 0.38 C ATOM 243 O ALA A 19 0.229 4.507 6.620 1.00 0.45 O ATOM 244 CB ALA A 19 -2.076 4.154 9.043 1.00 0.52 C ATOM 0 H ALA A 19 -0.501 2.875 10.525 1.00 0.32 H new ATOM 0 HA ALA A 19 -1.056 2.758 7.825 1.00 0.38 H new ATOM 0 HB1 ALA A 19 -2.581 4.642 8.210 1.00 0.52 H new ATOM 0 HB2 ALA A 19 -2.723 3.380 9.457 1.00 0.52 H new ATOM 0 HB3 ALA A 19 -1.853 4.891 9.814 1.00 0.52 H new ATOM 250 N ARG A 20 0.779 5.434 8.600 1.00 0.35 N ATOM 251 CA ARG A 20 1.682 6.361 7.976 1.00 0.41 C ATOM 252 C ARG A 20 2.771 5.611 7.219 1.00 0.34 C ATOM 253 O ARG A 20 2.998 5.888 6.050 1.00 0.36 O ATOM 254 CB ARG A 20 2.261 7.416 8.905 1.00 0.51 C ATOM 255 CG ARG A 20 1.224 8.317 9.599 1.00 0.69 C ATOM 256 CD ARG A 20 0.977 7.983 11.081 1.00 1.25 C ATOM 257 NE ARG A 20 0.300 9.113 11.741 1.00 1.37 N ATOM 258 CZ ARG A 20 0.348 9.422 13.050 1.00 2.27 C ATOM 259 NH1 ARG A 20 0.751 8.531 13.962 1.00 3.47 N ATOM 260 NH2 ARG A 20 -0.011 10.648 13.452 1.00 2.72 N ATOM 0 H ARG A 20 0.702 5.514 9.614 1.00 0.35 H new ATOM 0 HA ARG A 20 1.080 6.932 7.269 1.00 0.41 H new ATOM 0 HB2 ARG A 20 2.855 6.917 9.670 1.00 0.51 H new ATOM 0 HB3 ARG A 20 2.942 8.046 8.333 1.00 0.51 H new ATOM 0 HG2 ARG A 20 1.553 9.353 9.523 1.00 0.69 H new ATOM 0 HG3 ARG A 20 0.279 8.243 9.061 1.00 0.69 H new ATOM 0 HD2 ARG A 20 0.367 7.083 11.164 1.00 1.25 H new ATOM 0 HD3 ARG A 20 1.924 7.773 11.579 1.00 1.25 H new ATOM 0 HE ARG A 20 -0.261 9.722 11.146 1.00 1.37 H new ATOM 0 HH11 ARG A 20 1.030 7.594 13.671 1.00 3.47 H new ATOM 0 HH12 ARG A 20 0.779 8.788 14.949 1.00 3.47 H new ATOM 0 HH21 ARG A 20 -0.318 11.340 12.768 1.00 2.72 H new ATOM 0 HH22 ARG A 20 0.022 10.890 14.442 1.00 2.72 H new ATOM 274 N LYS A 21 3.444 4.650 7.854 1.00 0.29 N ATOM 275 CA LYS A 21 4.464 3.879 7.149 1.00 0.28 C ATOM 276 C LYS A 21 3.952 3.353 5.802 1.00 0.23 C ATOM 277 O LYS A 21 4.639 3.506 4.798 1.00 0.25 O ATOM 278 CB LYS A 21 4.988 2.743 8.029 1.00 0.36 C ATOM 279 CG LYS A 21 6.350 3.062 8.655 1.00 0.77 C ATOM 280 CD LYS A 21 6.269 4.214 9.665 1.00 0.99 C ATOM 281 CE LYS A 21 7.630 4.403 10.355 1.00 1.83 C ATOM 282 NZ LYS A 21 7.505 5.114 11.645 1.00 3.13 N ATOM 0 H LYS A 21 3.305 4.393 8.831 1.00 0.29 H new ATOM 0 HA LYS A 21 5.295 4.551 6.932 1.00 0.28 H new ATOM 0 HB2 LYS A 21 4.267 2.540 8.821 1.00 0.36 H new ATOM 0 HB3 LYS A 21 5.070 1.835 7.432 1.00 0.36 H new ATOM 0 HG2 LYS A 21 6.737 2.172 9.152 1.00 0.77 H new ATOM 0 HG3 LYS A 21 7.058 3.321 7.868 1.00 0.77 H new ATOM 0 HD2 LYS A 21 5.978 5.134 9.158 1.00 0.99 H new ATOM 0 HD3 LYS A 21 5.501 4.003 10.409 1.00 0.99 H new ATOM 0 HE2 LYS A 21 8.090 3.429 10.521 1.00 1.83 H new ATOM 0 HE3 LYS A 21 8.295 4.961 9.697 1.00 1.83 H new ATOM 0 HZ1 LYS A 21 8.446 5.220 12.076 1.00 3.13 H new ATOM 0 HZ2 LYS A 21 7.090 6.054 11.485 1.00 3.13 H new ATOM 0 HZ3 LYS A 21 6.891 4.569 12.284 1.00 3.13 H new ATOM 296 N VAL A 22 2.749 2.780 5.759 1.00 0.25 N ATOM 297 CA VAL A 22 2.133 2.309 4.535 1.00 0.30 C ATOM 298 C VAL A 22 1.981 3.439 3.529 1.00 0.29 C ATOM 299 O VAL A 22 2.469 3.327 2.406 1.00 0.36 O ATOM 300 CB VAL A 22 0.768 1.681 4.854 1.00 0.37 C ATOM 301 CG1 VAL A 22 -0.095 1.484 3.607 1.00 0.46 C ATOM 302 CG2 VAL A 22 0.963 0.305 5.508 1.00 0.46 C ATOM 0 H VAL A 22 2.174 2.632 6.588 1.00 0.25 H new ATOM 0 HA VAL A 22 2.779 1.554 4.087 1.00 0.30 H new ATOM 0 HB VAL A 22 0.261 2.373 5.526 1.00 0.37 H new ATOM 0 HG11 VAL A 22 -1.048 1.037 3.891 1.00 0.46 H new ATOM 0 HG12 VAL A 22 -0.274 2.449 3.132 1.00 0.46 H new ATOM 0 HG13 VAL A 22 0.421 0.826 2.908 1.00 0.46 H new ATOM 0 HG21 VAL A 22 -0.010 -0.133 5.731 1.00 0.46 H new ATOM 0 HG22 VAL A 22 1.507 -0.348 4.826 1.00 0.46 H new ATOM 0 HG23 VAL A 22 1.530 0.418 6.432 1.00 0.46 H new ATOM 312 N GLU A 23 1.258 4.503 3.888 1.00 0.26 N ATOM 313 CA GLU A 23 0.927 5.507 2.893 1.00 0.29 C ATOM 314 C GLU A 23 2.230 6.123 2.397 1.00 0.25 C ATOM 315 O GLU A 23 2.484 6.215 1.205 1.00 0.28 O ATOM 316 CB GLU A 23 -0.084 6.531 3.421 1.00 0.37 C ATOM 317 CG GLU A 23 0.441 7.326 4.612 1.00 0.40 C ATOM 318 CD GLU A 23 -0.628 8.245 5.181 1.00 0.72 C ATOM 319 OE1 GLU A 23 -1.065 9.123 4.407 1.00 1.54 O ATOM 320 OE2 GLU A 23 -0.964 8.065 6.372 1.00 2.12 O ATOM 0 H GLU A 23 0.904 4.683 4.828 1.00 0.26 H new ATOM 0 HA GLU A 23 0.418 5.049 2.045 1.00 0.29 H new ATOM 0 HB2 GLU A 23 -0.348 7.220 2.619 1.00 0.37 H new ATOM 0 HB3 GLU A 23 -0.999 6.014 3.711 1.00 0.37 H new ATOM 0 HG2 GLU A 23 0.783 6.640 5.387 1.00 0.40 H new ATOM 0 HG3 GLU A 23 1.304 7.916 4.305 1.00 0.40 H new ATOM 327 N ASN A 24 3.118 6.454 3.323 1.00 0.24 N ATOM 328 CA ASN A 24 4.406 7.041 3.014 1.00 0.25 C ATOM 329 C ASN A 24 5.209 6.087 2.125 1.00 0.27 C ATOM 330 O ASN A 24 5.800 6.525 1.139 1.00 0.37 O ATOM 331 CB ASN A 24 5.134 7.420 4.304 1.00 0.28 C ATOM 332 CG ASN A 24 4.530 8.664 4.974 1.00 0.34 C ATOM 333 OD1 ASN A 24 5.091 9.751 4.890 1.00 0.49 O ATOM 334 ND2 ASN A 24 3.383 8.518 5.634 1.00 0.32 N ATOM 0 H ASN A 24 2.959 6.319 4.321 1.00 0.24 H new ATOM 0 HA ASN A 24 4.274 7.964 2.450 1.00 0.25 H new ATOM 0 HB2 ASN A 24 5.096 6.581 4.999 1.00 0.28 H new ATOM 0 HB3 ASN A 24 6.186 7.604 4.084 1.00 0.28 H new ATOM 0 HD21 ASN A 24 2.949 9.323 6.086 1.00 0.32 H new ATOM 0 HD22 ASN A 24 2.939 7.602 5.688 1.00 0.32 H new ATOM 341 N ALA A 25 5.172 4.781 2.413 1.00 0.26 N ATOM 342 CA ALA A 25 5.801 3.761 1.580 1.00 0.29 C ATOM 343 C ALA A 25 5.296 3.771 0.134 1.00 0.24 C ATOM 344 O ALA A 25 5.989 3.242 -0.733 1.00 0.29 O ATOM 345 CB ALA A 25 5.660 2.366 2.201 1.00 0.38 C ATOM 0 H ALA A 25 4.701 4.405 3.236 1.00 0.26 H new ATOM 0 HA ALA A 25 6.860 4.015 1.541 1.00 0.29 H new ATOM 0 HB1 ALA A 25 6.139 1.630 1.555 1.00 0.38 H new ATOM 0 HB2 ALA A 25 6.137 2.354 3.181 1.00 0.38 H new ATOM 0 HB3 ALA A 25 4.603 2.121 2.309 1.00 0.38 H new ATOM 351 N VAL A 26 4.130 4.365 -0.151 1.00 0.23 N ATOM 352 CA VAL A 26 3.659 4.560 -1.511 1.00 0.25 C ATOM 353 C VAL A 26 3.884 5.987 -2.016 1.00 0.24 C ATOM 354 O VAL A 26 4.259 6.203 -3.165 1.00 0.27 O ATOM 355 CB VAL A 26 2.209 4.103 -1.645 1.00 0.40 C ATOM 356 CG1 VAL A 26 2.043 2.689 -1.086 1.00 1.85 C ATOM 357 CG2 VAL A 26 1.092 4.974 -1.081 1.00 1.76 C ATOM 0 H VAL A 26 3.493 4.721 0.562 1.00 0.23 H new ATOM 0 HA VAL A 26 4.263 3.931 -2.165 1.00 0.25 H new ATOM 0 HB VAL A 26 2.066 4.173 -2.723 1.00 0.40 H new ATOM 0 HG11 VAL A 26 1.004 2.377 -1.189 1.00 1.85 H new ATOM 0 HG12 VAL A 26 2.684 2.002 -1.638 1.00 1.85 H new ATOM 0 HG13 VAL A 26 2.323 2.679 -0.032 1.00 1.85 H new ATOM 0 HG21 VAL A 26 0.130 4.496 -1.265 1.00 1.76 H new ATOM 0 HG22 VAL A 26 1.235 5.100 -0.008 1.00 1.76 H new ATOM 0 HG23 VAL A 26 1.111 5.950 -1.566 1.00 1.76 H new ATOM 367 N ARG A 27 3.685 6.977 -1.151 1.00 0.24 N ATOM 368 CA ARG A 27 3.886 8.383 -1.487 1.00 0.24 C ATOM 369 C ARG A 27 5.340 8.596 -1.911 1.00 0.24 C ATOM 370 O ARG A 27 5.629 9.438 -2.754 1.00 0.31 O ATOM 371 CB ARG A 27 3.537 9.295 -0.303 1.00 0.27 C ATOM 372 CG ARG A 27 2.047 9.242 0.084 1.00 0.37 C ATOM 373 CD ARG A 27 1.716 10.099 1.313 1.00 0.72 C ATOM 374 NE ARG A 27 1.600 11.530 0.985 1.00 1.13 N ATOM 375 CZ ARG A 27 0.527 12.106 0.415 1.00 2.51 C ATOM 376 NH1 ARG A 27 -0.519 11.358 0.048 1.00 3.46 N ATOM 377 NH2 ARG A 27 0.506 13.428 0.212 1.00 3.49 N ATOM 0 H ARG A 27 3.378 6.825 -0.190 1.00 0.24 H new ATOM 0 HA ARG A 27 3.221 8.644 -2.310 1.00 0.24 H new ATOM 0 HB2 ARG A 27 4.140 9.008 0.558 1.00 0.27 H new ATOM 0 HB3 ARG A 27 3.805 10.322 -0.552 1.00 0.27 H new ATOM 0 HG2 ARG A 27 1.446 9.580 -0.760 1.00 0.37 H new ATOM 0 HG3 ARG A 27 1.765 8.208 0.282 1.00 0.37 H new ATOM 0 HD2 ARG A 27 0.781 9.753 1.753 1.00 0.72 H new ATOM 0 HD3 ARG A 27 2.492 9.964 2.067 1.00 0.72 H new ATOM 0 HE ARG A 27 2.394 12.130 1.207 1.00 1.13 H new ATOM 0 HH11 ARG A 27 -0.503 10.350 0.200 1.00 3.46 H new ATOM 0 HH12 ARG A 27 -1.332 11.796 -0.384 1.00 3.46 H new ATOM 0 HH21 ARG A 27 1.304 13.999 0.490 1.00 3.49 H new ATOM 0 HH22 ARG A 27 -0.308 13.865 -0.220 1.00 3.49 H new ATOM 391 N GLN A 28 6.250 7.806 -1.332 1.00 0.26 N ATOM 392 CA GLN A 28 7.669 7.847 -1.641 1.00 0.32 C ATOM 393 C GLN A 28 7.993 7.430 -3.082 1.00 0.33 C ATOM 394 O GLN A 28 9.134 7.605 -3.500 1.00 0.38 O ATOM 395 CB GLN A 28 8.483 7.072 -0.597 1.00 0.37 C ATOM 396 CG GLN A 28 8.441 5.543 -0.768 1.00 0.34 C ATOM 397 CD GLN A 28 9.263 4.788 0.298 1.00 0.41 C ATOM 398 OE1 GLN A 28 9.344 3.557 0.326 1.00 0.99 O ATOM 399 NE2 GLN A 28 9.927 5.513 1.198 1.00 1.19 N ATOM 0 H GLN A 28 6.010 7.111 -0.625 1.00 0.26 H new ATOM 0 HA GLN A 28 7.974 8.892 -1.582 1.00 0.32 H new ATOM 0 HB2 GLN A 28 9.521 7.403 -0.644 1.00 0.37 H new ATOM 0 HB3 GLN A 28 8.112 7.325 0.396 1.00 0.37 H new ATOM 0 HG2 GLN A 28 7.405 5.207 -0.723 1.00 0.34 H new ATOM 0 HG3 GLN A 28 8.817 5.284 -1.758 1.00 0.34 H new ATOM 0 HE21 GLN A 28 9.864 6.531 1.180 1.00 1.19 H new ATOM 0 HE22 GLN A 28 10.498 5.050 1.905 1.00 1.19 H new ATOM 408 N LEU A 29 7.050 6.798 -3.796 1.00 0.30 N ATOM 409 CA LEU A 29 7.227 6.428 -5.194 1.00 0.29 C ATOM 410 C LEU A 29 7.268 7.690 -6.064 1.00 0.32 C ATOM 411 O LEU A 29 8.209 8.474 -5.994 1.00 0.42 O ATOM 412 CB LEU A 29 6.160 5.412 -5.608 1.00 0.31 C ATOM 413 CG LEU A 29 6.126 4.128 -4.755 1.00 0.35 C ATOM 414 CD1 LEU A 29 5.790 2.973 -5.669 1.00 0.40 C ATOM 415 CD2 LEU A 29 7.387 3.719 -3.984 1.00 0.54 C ATOM 0 H LEU A 29 6.143 6.532 -3.412 1.00 0.30 H new ATOM 0 HA LEU A 29 8.185 5.928 -5.341 1.00 0.29 H new ATOM 0 HB2 LEU A 29 5.182 5.891 -5.557 1.00 0.31 H new ATOM 0 HB3 LEU A 29 6.326 5.136 -6.649 1.00 0.31 H new ATOM 0 HG LEU A 29 5.393 4.362 -3.983 1.00 0.35 H new ATOM 0 HD11 LEU A 29 5.759 2.049 -5.091 1.00 0.40 H new ATOM 0 HD12 LEU A 29 4.818 3.145 -6.131 1.00 0.40 H new ATOM 0 HD13 LEU A 29 6.551 2.890 -6.445 1.00 0.40 H new ATOM 0 HD21 LEU A 29 7.195 2.796 -3.437 1.00 0.54 H new ATOM 0 HD22 LEU A 29 8.207 3.562 -4.685 1.00 0.54 H new ATOM 0 HD23 LEU A 29 7.656 4.508 -3.282 1.00 0.54 H new ATOM 427 N ALA A 30 6.255 7.886 -6.905 1.00 0.31 N ATOM 428 CA ALA A 30 6.162 9.021 -7.817 1.00 0.33 C ATOM 429 C ALA A 30 4.837 8.941 -8.558 1.00 0.34 C ATOM 430 O ALA A 30 4.085 9.907 -8.626 1.00 0.38 O ATOM 431 CB ALA A 30 7.314 9.000 -8.833 1.00 0.33 C ATOM 0 H ALA A 30 5.462 7.248 -6.972 1.00 0.31 H new ATOM 0 HA ALA A 30 6.225 9.946 -7.243 1.00 0.33 H new ATOM 0 HB1 ALA A 30 7.224 9.855 -9.503 1.00 0.33 H new ATOM 0 HB2 ALA A 30 8.266 9.051 -8.305 1.00 0.33 H new ATOM 0 HB3 ALA A 30 7.270 8.079 -9.414 1.00 0.33 H new ATOM 437 N GLY A 31 4.566 7.761 -9.114 1.00 0.34 N ATOM 438 CA GLY A 31 3.407 7.557 -9.977 1.00 0.35 C ATOM 439 C GLY A 31 2.097 7.385 -9.202 1.00 0.36 C ATOM 440 O GLY A 31 1.025 7.330 -9.800 1.00 0.49 O ATOM 0 H GLY A 31 5.139 6.928 -8.980 1.00 0.34 H new ATOM 0 HA2 GLY A 31 3.312 8.407 -10.653 1.00 0.35 H new ATOM 0 HA3 GLY A 31 3.574 6.675 -10.595 1.00 0.35 H new ATOM 444 N VAL A 32 2.187 7.254 -7.876 1.00 0.29 N ATOM 445 CA VAL A 32 1.043 7.125 -6.993 1.00 0.33 C ATOM 446 C VAL A 32 0.336 8.473 -6.878 1.00 0.47 C ATOM 447 O VAL A 32 0.976 9.479 -6.578 1.00 0.71 O ATOM 448 CB VAL A 32 1.517 6.609 -5.625 1.00 0.46 C ATOM 449 CG1 VAL A 32 0.383 6.655 -4.592 1.00 0.63 C ATOM 450 CG2 VAL A 32 2.047 5.177 -5.781 1.00 0.43 C ATOM 0 H VAL A 32 3.080 7.235 -7.384 1.00 0.29 H new ATOM 0 HA VAL A 32 0.328 6.407 -7.395 1.00 0.33 H new ATOM 0 HB VAL A 32 2.316 7.255 -5.262 1.00 0.46 H new ATOM 0 HG11 VAL A 32 0.748 6.284 -3.634 1.00 0.63 H new ATOM 0 HG12 VAL A 32 0.038 7.682 -4.476 1.00 0.63 H new ATOM 0 HG13 VAL A 32 -0.444 6.031 -4.931 1.00 0.63 H new ATOM 0 HG21 VAL A 32 2.385 4.806 -4.813 1.00 0.43 H new ATOM 0 HG22 VAL A 32 1.252 4.534 -6.159 1.00 0.43 H new ATOM 0 HG23 VAL A 32 2.881 5.172 -6.482 1.00 0.43 H new ATOM 460 N ASN A 33 -0.984 8.481 -7.077 1.00 0.39 N ATOM 461 CA ASN A 33 -1.804 9.676 -6.989 1.00 0.49 C ATOM 462 C ASN A 33 -2.473 9.710 -5.617 1.00 0.52 C ATOM 463 O ASN A 33 -2.273 10.643 -4.842 1.00 0.87 O ATOM 464 CB ASN A 33 -2.900 9.681 -8.067 1.00 0.88 C ATOM 465 CG ASN A 33 -2.460 9.312 -9.475 1.00 0.83 C ATOM 466 OD1 ASN A 33 -1.412 9.743 -9.946 1.00 2.12 O ATOM 467 ND2 ASN A 33 -3.293 8.536 -10.156 1.00 0.84 N ATOM 0 H ASN A 33 -1.515 7.641 -7.307 1.00 0.39 H new ATOM 0 HA ASN A 33 -1.164 10.546 -7.138 1.00 0.49 H new ATOM 0 HB2 ASN A 33 -3.684 8.989 -7.761 1.00 0.88 H new ATOM 0 HB3 ASN A 33 -3.346 10.675 -8.097 1.00 0.88 H new ATOM 0 HD21 ASN A 33 -3.074 8.272 -11.117 1.00 0.84 H new ATOM 0 HD22 ASN A 33 -4.153 8.203 -9.719 1.00 0.84 H new ATOM 474 N GLN A 34 -3.334 8.718 -5.352 1.00 0.47 N ATOM 475 CA GLN A 34 -4.347 8.776 -4.304 1.00 0.54 C ATOM 476 C GLN A 34 -4.378 7.426 -3.581 1.00 0.64 C ATOM 477 O GLN A 34 -4.874 6.430 -4.106 1.00 1.40 O ATOM 478 CB GLN A 34 -5.722 9.146 -4.898 1.00 0.63 C ATOM 479 CG GLN A 34 -5.721 10.462 -5.696 1.00 1.27 C ATOM 480 CD GLN A 34 -6.900 10.556 -6.659 1.00 0.90 C ATOM 481 OE1 GLN A 34 -7.825 11.329 -6.431 1.00 1.30 O ATOM 482 NE2 GLN A 34 -6.889 9.799 -7.754 1.00 0.94 N ATOM 0 H GLN A 34 -3.341 7.840 -5.872 1.00 0.47 H new ATOM 0 HA GLN A 34 -4.099 9.554 -3.582 1.00 0.54 H new ATOM 0 HB2 GLN A 34 -6.055 8.338 -5.549 1.00 0.63 H new ATOM 0 HB3 GLN A 34 -6.448 9.223 -4.089 1.00 0.63 H new ATOM 0 HG2 GLN A 34 -5.752 11.304 -5.004 1.00 1.27 H new ATOM 0 HG3 GLN A 34 -4.790 10.544 -6.256 1.00 1.27 H new ATOM 0 HE21 GLN A 34 -6.111 9.162 -7.926 1.00 0.94 H new ATOM 0 HE22 GLN A 34 -7.659 9.856 -8.421 1.00 0.94 H new ATOM 491 N VAL A 35 -3.813 7.382 -2.376 1.00 0.35 N ATOM 492 CA VAL A 35 -3.690 6.170 -1.583 1.00 0.35 C ATOM 493 C VAL A 35 -4.880 6.033 -0.630 1.00 0.29 C ATOM 494 O VAL A 35 -5.298 7.013 -0.017 1.00 0.40 O ATOM 495 CB VAL A 35 -2.325 6.152 -0.874 1.00 0.48 C ATOM 496 CG1 VAL A 35 -2.004 7.427 -0.079 1.00 1.46 C ATOM 497 CG2 VAL A 35 -2.214 4.931 0.044 1.00 1.43 C ATOM 0 H VAL A 35 -3.422 8.206 -1.919 1.00 0.35 H new ATOM 0 HA VAL A 35 -3.720 5.292 -2.228 1.00 0.35 H new ATOM 0 HB VAL A 35 -1.586 6.098 -1.674 1.00 0.48 H new ATOM 0 HG11 VAL A 35 -1.024 7.328 0.388 1.00 1.46 H new ATOM 0 HG12 VAL A 35 -2.000 8.284 -0.752 1.00 1.46 H new ATOM 0 HG13 VAL A 35 -2.760 7.575 0.692 1.00 1.46 H new ATOM 0 HG21 VAL A 35 -1.242 4.934 0.538 1.00 1.43 H new ATOM 0 HG22 VAL A 35 -3.003 4.968 0.795 1.00 1.43 H new ATOM 0 HG23 VAL A 35 -2.318 4.021 -0.547 1.00 1.43 H new ATOM 507 N GLN A 36 -5.426 4.818 -0.508 1.00 0.31 N ATOM 508 CA GLN A 36 -6.507 4.471 0.395 1.00 0.44 C ATOM 509 C GLN A 36 -6.066 3.331 1.314 1.00 0.32 C ATOM 510 O GLN A 36 -6.335 2.152 1.055 1.00 0.41 O ATOM 511 CB GLN A 36 -7.736 4.105 -0.440 1.00 0.84 C ATOM 512 CG GLN A 36 -8.548 5.351 -0.788 1.00 1.08 C ATOM 513 CD GLN A 36 -9.081 5.290 -2.219 1.00 1.15 C ATOM 514 OE1 GLN A 36 -10.209 4.872 -2.458 1.00 1.74 O ATOM 515 NE2 GLN A 36 -8.262 5.686 -3.191 1.00 1.32 N ATOM 0 H GLN A 36 -5.107 4.023 -1.062 1.00 0.31 H new ATOM 0 HA GLN A 36 -6.767 5.313 1.036 1.00 0.44 H new ATOM 0 HB2 GLN A 36 -7.423 3.603 -1.355 1.00 0.84 H new ATOM 0 HB3 GLN A 36 -8.360 3.402 0.112 1.00 0.84 H new ATOM 0 HG2 GLN A 36 -9.381 5.450 -0.092 1.00 1.08 H new ATOM 0 HG3 GLN A 36 -7.925 6.238 -0.668 1.00 1.08 H new ATOM 0 HE21 GLN A 36 -7.329 6.029 -2.963 1.00 1.32 H new ATOM 0 HE22 GLN A 36 -8.568 5.646 -4.163 1.00 1.32 H new ATOM 524 N VAL A 37 -5.500 3.716 2.457 1.00 0.23 N ATOM 525 CA VAL A 37 -5.260 2.860 3.602 1.00 0.27 C ATOM 526 C VAL A 37 -6.529 2.955 4.456 1.00 0.39 C ATOM 527 O VAL A 37 -6.936 4.039 4.866 1.00 0.69 O ATOM 528 CB VAL A 37 -3.990 3.314 4.372 1.00 0.37 C ATOM 529 CG1 VAL A 37 -2.911 3.885 3.445 1.00 1.59 C ATOM 530 CG2 VAL A 37 -4.196 4.378 5.463 1.00 1.67 C ATOM 0 H VAL A 37 -5.186 4.674 2.610 1.00 0.23 H new ATOM 0 HA VAL A 37 -5.068 1.826 3.314 1.00 0.27 H new ATOM 0 HB VAL A 37 -3.690 2.379 4.846 1.00 0.37 H new ATOM 0 HG11 VAL A 37 -2.046 4.186 4.036 1.00 1.59 H new ATOM 0 HG12 VAL A 37 -2.611 3.124 2.724 1.00 1.59 H new ATOM 0 HG13 VAL A 37 -3.308 4.751 2.915 1.00 1.59 H new ATOM 0 HG21 VAL A 37 -3.238 4.612 5.928 1.00 1.67 H new ATOM 0 HG22 VAL A 37 -4.613 5.281 5.017 1.00 1.67 H new ATOM 0 HG23 VAL A 37 -4.883 3.996 6.219 1.00 1.67 H new ATOM 540 N LEU A 38 -7.219 1.828 4.635 1.00 0.36 N ATOM 541 CA LEU A 38 -8.369 1.709 5.507 1.00 0.42 C ATOM 542 C LEU A 38 -8.026 0.649 6.553 1.00 0.45 C ATOM 543 O LEU A 38 -7.862 -0.525 6.212 1.00 0.42 O ATOM 544 CB LEU A 38 -9.586 1.328 4.657 1.00 0.41 C ATOM 545 CG LEU A 38 -10.784 0.862 5.484 1.00 0.43 C ATOM 546 CD1 LEU A 38 -11.255 1.906 6.503 1.00 0.52 C ATOM 547 CD2 LEU A 38 -11.945 0.494 4.555 1.00 0.44 C ATOM 0 H LEU A 38 -6.981 0.956 4.162 1.00 0.36 H new ATOM 0 HA LEU A 38 -8.612 2.640 6.018 1.00 0.42 H new ATOM 0 HB2 LEU A 38 -9.882 2.187 4.055 1.00 0.41 H new ATOM 0 HB3 LEU A 38 -9.302 0.536 3.964 1.00 0.41 H new ATOM 0 HG LEU A 38 -10.455 -0.010 6.049 1.00 0.43 H new ATOM 0 HD11 LEU A 38 -12.108 1.514 7.058 1.00 0.52 H new ATOM 0 HD12 LEU A 38 -10.444 2.130 7.196 1.00 0.52 H new ATOM 0 HD13 LEU A 38 -11.549 2.817 5.981 1.00 0.52 H new ATOM 0 HD21 LEU A 38 -12.796 0.163 5.150 1.00 0.44 H new ATOM 0 HD22 LEU A 38 -12.231 1.366 3.967 1.00 0.44 H new ATOM 0 HD23 LEU A 38 -11.635 -0.309 3.886 1.00 0.44 H new ATOM 559 N PHE A 39 -7.915 1.079 7.811 1.00 0.77 N ATOM 560 CA PHE A 39 -7.755 0.194 8.953 1.00 0.89 C ATOM 561 C PHE A 39 -8.947 -0.744 9.100 1.00 0.90 C ATOM 562 O PHE A 39 -9.980 -0.560 8.455 1.00 1.54 O ATOM 563 CB PHE A 39 -7.617 1.030 10.233 1.00 1.45 C ATOM 564 CG PHE A 39 -6.318 1.774 10.394 1.00 1.02 C ATOM 565 CD1 PHE A 39 -5.126 1.043 10.323 1.00 1.34 C ATOM 566 CD2 PHE A 39 -6.311 3.078 10.922 1.00 2.29 C ATOM 567 CE1 PHE A 39 -3.939 1.577 10.834 1.00 1.90 C ATOM 568 CE2 PHE A 39 -5.116 3.626 11.414 1.00 2.66 C ATOM 569 CZ PHE A 39 -3.938 2.864 11.396 1.00 2.17 C ATOM 0 H PHE A 39 -7.935 2.067 8.063 1.00 0.77 H new ATOM 0 HA PHE A 39 -6.860 -0.406 8.792 1.00 0.89 H new ATOM 0 HB2 PHE A 39 -8.433 1.752 10.262 1.00 1.45 H new ATOM 0 HB3 PHE A 39 -7.744 0.370 11.091 1.00 1.45 H new ATOM 0 HD1 PHE A 39 -5.123 0.062 9.871 1.00 1.34 H new ATOM 0 HD2 PHE A 39 -7.223 3.656 10.949 1.00 2.29 H new ATOM 0 HE1 PHE A 39 -3.026 1.002 10.797 1.00 1.90 H new ATOM 0 HE2 PHE A 39 -5.103 4.632 11.806 1.00 2.66 H new ATOM 0 HZ PHE A 39 -3.028 3.268 11.815 1.00 2.17 H new ATOM 579 N ALA A 40 -8.779 -1.764 9.942 1.00 0.83 N ATOM 580 CA ALA A 40 -9.729 -2.817 10.263 1.00 0.86 C ATOM 581 C ALA A 40 -9.971 -3.773 9.090 1.00 0.66 C ATOM 582 O ALA A 40 -9.929 -4.988 9.257 1.00 0.86 O ATOM 583 CB ALA A 40 -11.038 -2.248 10.822 1.00 1.17 C ATOM 0 H ALA A 40 -7.905 -1.880 10.455 1.00 0.83 H new ATOM 0 HA ALA A 40 -9.274 -3.416 11.052 1.00 0.86 H new ATOM 0 HB1 ALA A 40 -11.722 -3.065 11.050 1.00 1.17 H new ATOM 0 HB2 ALA A 40 -10.831 -1.684 11.732 1.00 1.17 H new ATOM 0 HB3 ALA A 40 -11.493 -1.589 10.083 1.00 1.17 H new ATOM 589 N THR A 41 -10.200 -3.231 7.890 1.00 0.48 N ATOM 590 CA THR A 41 -10.256 -4.000 6.659 1.00 0.40 C ATOM 591 C THR A 41 -8.850 -4.517 6.329 1.00 0.46 C ATOM 592 O THR A 41 -8.708 -5.527 5.644 1.00 0.87 O ATOM 593 CB THR A 41 -10.861 -3.150 5.531 1.00 0.57 C ATOM 594 OG1 THR A 41 -11.987 -2.422 5.989 1.00 0.77 O ATOM 595 CG2 THR A 41 -11.364 -4.047 4.396 1.00 1.08 C ATOM 0 H THR A 41 -10.353 -2.232 7.753 1.00 0.48 H new ATOM 0 HA THR A 41 -10.908 -4.866 6.777 1.00 0.40 H new ATOM 0 HB THR A 41 -10.075 -2.476 5.190 1.00 0.57 H new ATOM 0 HG1 THR A 41 -12.535 -2.150 5.223 1.00 0.77 H new ATOM 0 HG21 THR A 41 -11.789 -3.429 3.605 1.00 1.08 H new ATOM 0 HG22 THR A 41 -10.533 -4.627 3.995 1.00 1.08 H new ATOM 0 HG23 THR A 41 -12.128 -4.724 4.778 1.00 1.08 H new ATOM 603 N GLU A 42 -7.818 -3.805 6.807 1.00 0.50 N ATOM 604 CA GLU A 42 -6.412 -4.162 6.661 1.00 0.71 C ATOM 605 C GLU A 42 -6.063 -4.351 5.181 1.00 0.66 C ATOM 606 O GLU A 42 -5.244 -5.186 4.790 1.00 0.91 O ATOM 607 CB GLU A 42 -6.095 -5.370 7.555 1.00 1.06 C ATOM 608 CG GLU A 42 -4.639 -5.338 8.031 1.00 2.23 C ATOM 609 CD GLU A 42 -4.376 -6.367 9.120 1.00 3.12 C ATOM 610 OE1 GLU A 42 -4.974 -7.461 9.057 1.00 3.55 O ATOM 611 OE2 GLU A 42 -3.522 -6.058 9.976 1.00 4.34 O ATOM 0 H GLU A 42 -7.952 -2.935 7.323 1.00 0.50 H new ATOM 0 HA GLU A 42 -5.767 -3.354 7.006 1.00 0.71 H new ATOM 0 HB2 GLU A 42 -6.762 -5.373 8.417 1.00 1.06 H new ATOM 0 HB3 GLU A 42 -6.281 -6.292 7.004 1.00 1.06 H new ATOM 0 HG2 GLU A 42 -3.977 -5.526 7.186 1.00 2.23 H new ATOM 0 HG3 GLU A 42 -4.402 -4.343 8.407 1.00 2.23 H new ATOM 618 N LYS A 43 -6.710 -3.529 4.350 1.00 0.47 N ATOM 619 CA LYS A 43 -6.580 -3.598 2.906 1.00 0.63 C ATOM 620 C LYS A 43 -5.973 -2.292 2.439 1.00 0.40 C ATOM 621 O LYS A 43 -6.364 -1.215 2.909 1.00 0.44 O ATOM 622 CB LYS A 43 -7.927 -3.914 2.235 1.00 0.96 C ATOM 623 CG LYS A 43 -8.911 -2.738 2.226 1.00 1.21 C ATOM 624 CD LYS A 43 -8.810 -1.890 0.944 1.00 0.98 C ATOM 625 CE LYS A 43 -9.270 -0.456 1.232 1.00 0.82 C ATOM 626 NZ LYS A 43 -8.165 0.385 1.742 1.00 2.94 N ATOM 0 H LYS A 43 -7.341 -2.795 4.670 1.00 0.47 H new ATOM 0 HA LYS A 43 -5.923 -4.418 2.615 1.00 0.63 H new ATOM 0 HB2 LYS A 43 -7.744 -4.229 1.208 1.00 0.96 H new ATOM 0 HB3 LYS A 43 -8.389 -4.757 2.750 1.00 0.96 H new ATOM 0 HG2 LYS A 43 -9.927 -3.119 2.326 1.00 1.21 H new ATOM 0 HG3 LYS A 43 -8.722 -2.104 3.092 1.00 1.21 H new ATOM 0 HD2 LYS A 43 -7.783 -1.886 0.580 1.00 0.98 H new ATOM 0 HD3 LYS A 43 -9.425 -2.328 0.158 1.00 0.98 H new ATOM 0 HE2 LYS A 43 -9.672 -0.014 0.321 1.00 0.82 H new ATOM 0 HE3 LYS A 43 -10.079 -0.474 1.962 1.00 0.82 H new ATOM 0 HZ1 LYS A 43 -8.556 1.246 2.175 1.00 2.94 H new ATOM 0 HZ2 LYS A 43 -7.625 -0.146 2.454 1.00 2.94 H new ATOM 0 HZ3 LYS A 43 -7.537 0.647 0.956 1.00 2.94 H new ATOM 640 N LEU A 44 -5.046 -2.384 1.493 1.00 0.33 N ATOM 641 CA LEU A 44 -4.411 -1.227 0.909 1.00 0.31 C ATOM 642 C LEU A 44 -5.081 -0.977 -0.425 1.00 0.29 C ATOM 643 O LEU A 44 -5.320 -1.941 -1.147 1.00 0.38 O ATOM 644 CB LEU A 44 -2.923 -1.515 0.664 1.00 0.44 C ATOM 645 CG LEU A 44 -1.967 -0.442 1.204 1.00 0.62 C ATOM 646 CD1 LEU A 44 -0.831 -0.256 0.209 1.00 0.52 C ATOM 647 CD2 LEU A 44 -2.565 0.950 1.431 1.00 1.34 C ATOM 0 H LEU A 44 -4.718 -3.272 1.113 1.00 0.33 H new ATOM 0 HA LEU A 44 -4.501 -0.367 1.573 1.00 0.31 H new ATOM 0 HB2 LEU A 44 -2.671 -2.471 1.123 1.00 0.44 H new ATOM 0 HB3 LEU A 44 -2.759 -1.623 -0.408 1.00 0.44 H new ATOM 0 HG LEU A 44 -1.664 -0.820 2.180 1.00 0.62 H new ATOM 0 HD11 LEU A 44 -0.143 0.504 0.580 1.00 0.52 H new ATOM 0 HD12 LEU A 44 -0.298 -1.199 0.085 1.00 0.52 H new ATOM 0 HD13 LEU A 44 -1.237 0.060 -0.752 1.00 0.52 H new ATOM 0 HD21 LEU A 44 -1.794 1.619 1.813 1.00 1.34 H new ATOM 0 HD22 LEU A 44 -2.949 1.339 0.488 1.00 1.34 H new ATOM 0 HD23 LEU A 44 -3.378 0.883 2.154 1.00 1.34 H new ATOM 659 N VAL A 45 -5.344 0.286 -0.765 1.00 0.25 N ATOM 660 CA VAL A 45 -5.565 0.671 -2.144 1.00 0.25 C ATOM 661 C VAL A 45 -4.610 1.786 -2.534 1.00 0.28 C ATOM 662 O VAL A 45 -4.251 2.609 -1.697 1.00 0.53 O ATOM 663 CB VAL A 45 -7.041 1.024 -2.372 1.00 0.32 C ATOM 664 CG1 VAL A 45 -7.283 1.940 -3.577 1.00 0.62 C ATOM 665 CG2 VAL A 45 -7.753 -0.295 -2.627 1.00 0.59 C ATOM 0 H VAL A 45 -5.407 1.054 -0.097 1.00 0.25 H new ATOM 0 HA VAL A 45 -5.348 -0.170 -2.802 1.00 0.25 H new ATOM 0 HB VAL A 45 -7.405 1.566 -1.499 1.00 0.32 H new ATOM 0 HG11 VAL A 45 -8.350 2.143 -3.671 1.00 0.62 H new ATOM 0 HG12 VAL A 45 -6.746 2.878 -3.435 1.00 0.62 H new ATOM 0 HG13 VAL A 45 -6.925 1.451 -4.483 1.00 0.62 H new ATOM 0 HG21 VAL A 45 -8.813 -0.109 -2.797 1.00 0.59 H new ATOM 0 HG22 VAL A 45 -7.323 -0.777 -3.505 1.00 0.59 H new ATOM 0 HG23 VAL A 45 -7.633 -0.946 -1.761 1.00 0.59 H new ATOM 675 N VAL A 46 -4.204 1.797 -3.804 1.00 0.25 N ATOM 676 CA VAL A 46 -3.339 2.791 -4.399 1.00 0.23 C ATOM 677 C VAL A 46 -3.908 3.132 -5.775 1.00 0.23 C ATOM 678 O VAL A 46 -4.020 2.242 -6.615 1.00 0.28 O ATOM 679 CB VAL A 46 -1.925 2.195 -4.493 1.00 0.31 C ATOM 680 CG1 VAL A 46 -1.005 3.072 -5.338 1.00 0.42 C ATOM 681 CG2 VAL A 46 -1.318 2.050 -3.094 1.00 0.33 C ATOM 0 H VAL A 46 -4.487 1.076 -4.468 1.00 0.25 H new ATOM 0 HA VAL A 46 -3.284 3.705 -3.808 1.00 0.23 H new ATOM 0 HB VAL A 46 -2.014 1.218 -4.967 1.00 0.31 H new ATOM 0 HG11 VAL A 46 -0.014 2.621 -5.384 1.00 0.42 H new ATOM 0 HG12 VAL A 46 -1.411 3.159 -6.346 1.00 0.42 H new ATOM 0 HG13 VAL A 46 -0.933 4.062 -4.889 1.00 0.42 H new ATOM 0 HG21 VAL A 46 -0.317 1.627 -3.174 1.00 0.33 H new ATOM 0 HG22 VAL A 46 -1.261 3.029 -2.619 1.00 0.33 H new ATOM 0 HG23 VAL A 46 -1.944 1.390 -2.493 1.00 0.33 H new ATOM 691 N ASP A 47 -4.238 4.404 -6.013 1.00 0.26 N ATOM 692 CA ASP A 47 -4.590 4.912 -7.334 1.00 0.23 C ATOM 693 C ASP A 47 -3.323 5.510 -7.924 1.00 0.22 C ATOM 694 O ASP A 47 -2.705 6.346 -7.262 1.00 0.38 O ATOM 695 CB ASP A 47 -5.627 6.021 -7.178 1.00 0.44 C ATOM 696 CG ASP A 47 -6.034 6.634 -8.508 1.00 2.40 C ATOM 697 OD1 ASP A 47 -6.890 6.022 -9.182 1.00 2.99 O ATOM 698 OD2 ASP A 47 -5.511 7.732 -8.802 1.00 4.03 O ATOM 0 H ASP A 47 -4.267 5.115 -5.283 1.00 0.26 H new ATOM 0 HA ASP A 47 -4.994 4.123 -7.968 1.00 0.23 H new ATOM 0 HB2 ASP A 47 -6.511 5.620 -6.682 1.00 0.44 H new ATOM 0 HB3 ASP A 47 -5.225 6.801 -6.531 1.00 0.44 H new ATOM 703 N ALA A 48 -2.904 5.054 -9.106 1.00 0.28 N ATOM 704 CA ALA A 48 -1.641 5.452 -9.709 1.00 0.28 C ATOM 705 C ALA A 48 -1.746 5.425 -11.233 1.00 0.33 C ATOM 706 O ALA A 48 -2.248 4.453 -11.803 1.00 0.51 O ATOM 707 CB ALA A 48 -0.546 4.490 -9.240 1.00 0.35 C ATOM 0 H ALA A 48 -3.438 4.394 -9.671 1.00 0.28 H new ATOM 0 HA ALA A 48 -1.396 6.469 -9.403 1.00 0.28 H new ATOM 0 HB1 ALA A 48 0.406 4.778 -9.685 1.00 0.35 H new ATOM 0 HB2 ALA A 48 -0.466 4.532 -8.154 1.00 0.35 H new ATOM 0 HB3 ALA A 48 -0.798 3.475 -9.547 1.00 0.35 H new ATOM 713 N ASP A 49 -1.238 6.458 -11.909 1.00 0.35 N ATOM 714 CA ASP A 49 -1.207 6.512 -13.369 1.00 0.39 C ATOM 715 C ASP A 49 0.079 5.841 -13.873 1.00 0.37 C ATOM 716 O ASP A 49 0.865 6.455 -14.588 1.00 0.51 O ATOM 717 CB ASP A 49 -1.336 7.969 -13.856 1.00 0.54 C ATOM 718 CG ASP A 49 -2.775 8.469 -13.882 1.00 0.79 C ATOM 719 OD1 ASP A 49 -3.285 8.807 -12.795 1.00 1.40 O ATOM 720 OD2 ASP A 49 -3.359 8.491 -14.985 1.00 2.11 O ATOM 0 H ASP A 49 -0.837 7.280 -11.458 1.00 0.35 H new ATOM 0 HA ASP A 49 -2.056 5.966 -13.780 1.00 0.39 H new ATOM 0 HB2 ASP A 49 -0.745 8.616 -13.207 1.00 0.54 H new ATOM 0 HB3 ASP A 49 -0.912 8.049 -14.857 1.00 0.54 H new ATOM 725 N ASN A 50 0.273 4.565 -13.514 1.00 0.32 N ATOM 726 CA ASN A 50 1.357 3.680 -13.963 1.00 0.40 C ATOM 727 C ASN A 50 1.345 2.406 -13.125 1.00 0.56 C ATOM 728 O ASN A 50 0.814 2.424 -12.016 1.00 1.68 O ATOM 729 CB ASN A 50 2.765 4.312 -13.893 1.00 0.43 C ATOM 730 CG ASN A 50 3.292 4.652 -12.495 1.00 0.50 C ATOM 731 OD1 ASN A 50 4.440 5.063 -12.361 1.00 1.35 O ATOM 732 ND2 ASN A 50 2.515 4.480 -11.428 1.00 0.57 N ATOM 0 H ASN A 50 -0.359 4.095 -12.865 1.00 0.32 H new ATOM 0 HA ASN A 50 1.163 3.474 -15.016 1.00 0.40 H new ATOM 0 HB2 ASN A 50 3.470 3.629 -14.367 1.00 0.43 H new ATOM 0 HB3 ASN A 50 2.759 5.226 -14.487 1.00 0.43 H new ATOM 0 HD21 ASN A 50 2.874 4.690 -10.497 1.00 0.57 H new ATOM 0 HD22 ASN A 50 1.561 4.138 -11.542 1.00 0.57 H new ATOM 739 N ASP A 51 1.990 1.343 -13.609 1.00 0.84 N ATOM 740 CA ASP A 51 2.142 0.098 -12.873 1.00 0.80 C ATOM 741 C ASP A 51 3.313 0.202 -11.900 1.00 0.58 C ATOM 742 O ASP A 51 4.467 0.273 -12.320 1.00 0.70 O ATOM 743 CB ASP A 51 2.340 -1.066 -13.850 1.00 1.08 C ATOM 744 CG ASP A 51 1.068 -1.345 -14.635 1.00 2.42 C ATOM 745 OD1 ASP A 51 0.045 -1.621 -13.966 1.00 3.07 O ATOM 746 OD2 ASP A 51 1.138 -1.252 -15.876 1.00 3.99 O ATOM 0 H ASP A 51 2.424 1.328 -14.532 1.00 0.84 H new ATOM 0 HA ASP A 51 1.237 -0.090 -12.295 1.00 0.80 H new ATOM 0 HB2 ASP A 51 3.152 -0.833 -14.539 1.00 1.08 H new ATOM 0 HB3 ASP A 51 2.635 -1.960 -13.300 1.00 1.08 H new ATOM 751 N ILE A 52 3.017 0.191 -10.598 1.00 0.40 N ATOM 752 CA ILE A 52 4.012 0.231 -9.528 1.00 0.28 C ATOM 753 C ILE A 52 3.704 -0.805 -8.440 1.00 0.25 C ATOM 754 O ILE A 52 4.212 -0.696 -7.330 1.00 0.26 O ATOM 755 CB ILE A 52 4.115 1.659 -8.945 1.00 0.32 C ATOM 756 CG1 ILE A 52 2.756 2.317 -8.648 1.00 0.38 C ATOM 757 CG2 ILE A 52 4.920 2.567 -9.882 1.00 0.51 C ATOM 758 CD1 ILE A 52 1.869 1.509 -7.697 1.00 0.63 C ATOM 0 H ILE A 52 2.058 0.153 -10.253 1.00 0.40 H new ATOM 0 HA ILE A 52 4.982 -0.032 -9.950 1.00 0.28 H new ATOM 0 HB ILE A 52 4.626 1.543 -7.989 1.00 0.32 H new ATOM 0 HG12 ILE A 52 2.928 3.304 -8.218 1.00 0.38 H new ATOM 0 HG13 ILE A 52 2.223 2.466 -9.587 1.00 0.38 H new ATOM 0 HG21 ILE A 52 4.982 3.568 -9.455 1.00 0.51 H new ATOM 0 HG22 ILE A 52 5.925 2.163 -10.006 1.00 0.51 H new ATOM 0 HG23 ILE A 52 4.427 2.617 -10.853 1.00 0.51 H new ATOM 0 HD11 ILE A 52 0.930 2.039 -7.537 1.00 0.63 H new ATOM 0 HD12 ILE A 52 1.665 0.531 -8.133 1.00 0.63 H new ATOM 0 HD13 ILE A 52 2.380 1.381 -6.743 1.00 0.63 H new ATOM 770 N ARG A 53 2.884 -1.821 -8.718 1.00 0.27 N ATOM 771 CA ARG A 53 2.377 -2.705 -7.662 1.00 0.32 C ATOM 772 C ARG A 53 3.515 -3.427 -6.965 1.00 0.27 C ATOM 773 O ARG A 53 3.589 -3.433 -5.740 1.00 0.29 O ATOM 774 CB ARG A 53 1.366 -3.734 -8.174 1.00 0.40 C ATOM 775 CG ARG A 53 0.313 -3.027 -9.014 1.00 0.52 C ATOM 776 CD ARG A 53 -0.914 -3.865 -9.384 1.00 0.62 C ATOM 777 NE ARG A 53 -0.736 -5.316 -9.195 1.00 0.68 N ATOM 778 CZ ARG A 53 -1.505 -6.064 -8.385 1.00 1.82 C ATOM 779 NH1 ARG A 53 -2.212 -5.491 -7.405 1.00 3.61 N ATOM 780 NH2 ARG A 53 -1.601 -7.384 -8.559 1.00 2.05 N ATOM 0 H ARG A 53 2.558 -2.052 -9.657 1.00 0.27 H new ATOM 0 HA ARG A 53 1.860 -2.056 -6.955 1.00 0.32 H new ATOM 0 HB2 ARG A 53 1.872 -4.494 -8.769 1.00 0.40 H new ATOM 0 HB3 ARG A 53 0.895 -4.247 -7.335 1.00 0.40 H new ATOM 0 HG2 ARG A 53 -0.024 -2.143 -8.473 1.00 0.52 H new ATOM 0 HG3 ARG A 53 0.783 -2.678 -9.934 1.00 0.52 H new ATOM 0 HD2 ARG A 53 -1.761 -3.533 -8.783 1.00 0.62 H new ATOM 0 HD3 ARG A 53 -1.169 -3.675 -10.427 1.00 0.62 H new ATOM 0 HE ARG A 53 0.014 -5.779 -9.708 1.00 0.68 H new ATOM 0 HH11 ARG A 53 -2.170 -4.481 -7.269 1.00 3.61 H new ATOM 0 HH12 ARG A 53 -2.794 -6.064 -6.794 1.00 3.61 H new ATOM 0 HH21 ARG A 53 -1.087 -7.838 -9.314 1.00 2.05 H new ATOM 0 HH22 ARG A 53 -2.188 -7.939 -7.937 1.00 2.05 H new ATOM 794 N ALA A 54 4.418 -3.991 -7.768 1.00 0.25 N ATOM 795 CA ALA A 54 5.631 -4.617 -7.280 1.00 0.24 C ATOM 796 C ALA A 54 6.465 -3.613 -6.487 1.00 0.22 C ATOM 797 O ALA A 54 7.176 -3.993 -5.561 1.00 0.22 O ATOM 798 CB ALA A 54 6.434 -5.156 -8.465 1.00 0.28 C ATOM 0 H ALA A 54 4.320 -4.022 -8.783 1.00 0.25 H new ATOM 0 HA ALA A 54 5.369 -5.442 -6.617 1.00 0.24 H new ATOM 0 HB1 ALA A 54 7.347 -5.627 -8.101 1.00 0.28 H new ATOM 0 HB2 ALA A 54 5.837 -5.890 -9.005 1.00 0.28 H new ATOM 0 HB3 ALA A 54 6.691 -4.335 -9.134 1.00 0.28 H new ATOM 804 N GLN A 55 6.394 -2.327 -6.850 1.00 0.21 N ATOM 805 CA GLN A 55 7.194 -1.310 -6.197 1.00 0.21 C ATOM 806 C GLN A 55 6.595 -0.989 -4.835 1.00 0.21 C ATOM 807 O GLN A 55 7.316 -0.940 -3.836 1.00 0.22 O ATOM 808 CB GLN A 55 7.365 -0.092 -7.120 1.00 0.27 C ATOM 809 CG GLN A 55 8.614 0.722 -6.755 1.00 0.47 C ATOM 810 CD GLN A 55 8.847 1.900 -7.701 1.00 1.42 C ATOM 811 OE1 GLN A 55 8.955 3.043 -7.268 1.00 2.97 O ATOM 812 NE2 GLN A 55 8.934 1.642 -9.003 1.00 0.96 N ATOM 0 H GLN A 55 5.789 -1.976 -7.592 1.00 0.21 H new ATOM 0 HA GLN A 55 8.204 -1.675 -6.008 1.00 0.21 H new ATOM 0 HB2 GLN A 55 7.437 -0.426 -8.155 1.00 0.27 H new ATOM 0 HB3 GLN A 55 6.482 0.544 -7.051 1.00 0.27 H new ATOM 0 HG2 GLN A 55 8.515 1.094 -5.735 1.00 0.47 H new ATOM 0 HG3 GLN A 55 9.486 0.069 -6.773 1.00 0.47 H new ATOM 0 HE21 GLN A 55 8.841 0.684 -9.340 1.00 0.96 H new ATOM 0 HE22 GLN A 55 9.094 2.402 -9.664 1.00 0.96 H new ATOM 821 N VAL A 56 5.270 -0.826 -4.778 1.00 0.22 N ATOM 822 CA VAL A 56 4.606 -0.575 -3.521 1.00 0.21 C ATOM 823 C VAL A 56 4.806 -1.791 -2.615 1.00 0.21 C ATOM 824 O VAL A 56 5.198 -1.658 -1.458 1.00 0.22 O ATOM 825 CB VAL A 56 3.127 -0.292 -3.765 1.00 0.24 C ATOM 826 CG1 VAL A 56 2.386 -0.400 -2.428 1.00 0.35 C ATOM 827 CG2 VAL A 56 2.987 1.136 -4.298 1.00 0.37 C ATOM 0 H VAL A 56 4.651 -0.865 -5.588 1.00 0.22 H new ATOM 0 HA VAL A 56 5.030 0.301 -3.031 1.00 0.21 H new ATOM 0 HB VAL A 56 2.714 -1.001 -4.482 1.00 0.24 H new ATOM 0 HG11 VAL A 56 1.326 -0.201 -2.583 1.00 0.35 H new ATOM 0 HG12 VAL A 56 2.511 -1.404 -2.023 1.00 0.35 H new ATOM 0 HG13 VAL A 56 2.794 0.328 -1.726 1.00 0.35 H new ATOM 0 HG21 VAL A 56 1.935 1.356 -4.478 1.00 0.37 H new ATOM 0 HG22 VAL A 56 3.384 1.838 -3.565 1.00 0.37 H new ATOM 0 HG23 VAL A 56 3.543 1.232 -5.231 1.00 0.37 H new ATOM 837 N GLU A 57 4.530 -2.986 -3.147 1.00 0.22 N ATOM 838 CA GLU A 57 4.795 -4.222 -2.437 1.00 0.22 C ATOM 839 C GLU A 57 6.211 -4.237 -1.903 1.00 0.24 C ATOM 840 O GLU A 57 6.364 -4.311 -0.698 1.00 0.28 O ATOM 841 CB GLU A 57 4.502 -5.432 -3.311 1.00 0.26 C ATOM 842 CG GLU A 57 5.061 -6.733 -2.724 1.00 0.34 C ATOM 843 CD GLU A 57 4.518 -7.967 -3.428 1.00 1.25 C ATOM 844 OE1 GLU A 57 4.030 -7.806 -4.567 1.00 2.42 O ATOM 845 OE2 GLU A 57 4.604 -9.040 -2.793 1.00 2.17 O ATOM 0 H GLU A 57 4.121 -3.114 -4.073 1.00 0.22 H new ATOM 0 HA GLU A 57 4.122 -4.279 -1.582 1.00 0.22 H new ATOM 0 HB2 GLU A 57 3.424 -5.530 -3.440 1.00 0.26 H new ATOM 0 HB3 GLU A 57 4.928 -5.272 -4.301 1.00 0.26 H new ATOM 0 HG2 GLU A 57 6.148 -6.724 -2.799 1.00 0.34 H new ATOM 0 HG3 GLU A 57 4.815 -6.785 -1.663 1.00 0.34 H new ATOM 852 N SER A 58 7.235 -4.138 -2.755 1.00 0.23 N ATOM 853 CA SER A 58 8.621 -4.150 -2.303 1.00 0.26 C ATOM 854 C SER A 58 8.811 -3.185 -1.126 1.00 0.29 C ATOM 855 O SER A 58 9.393 -3.548 -0.103 1.00 0.32 O ATOM 856 CB SER A 58 9.550 -3.823 -3.479 1.00 0.30 C ATOM 857 OG SER A 58 10.905 -3.964 -3.101 1.00 0.53 O ATOM 0 H SER A 58 7.125 -4.048 -3.765 1.00 0.23 H new ATOM 0 HA SER A 58 8.880 -5.145 -1.941 1.00 0.26 H new ATOM 0 HB2 SER A 58 9.331 -4.485 -4.317 1.00 0.30 H new ATOM 0 HB3 SER A 58 9.367 -2.804 -3.821 1.00 0.30 H new ATOM 0 HG SER A 58 11.481 -3.753 -3.865 1.00 0.53 H new ATOM 863 N ALA A 59 8.265 -1.970 -1.243 1.00 0.29 N ATOM 864 CA ALA A 59 8.297 -0.970 -0.189 1.00 0.30 C ATOM 865 C ALA A 59 7.693 -1.478 1.124 1.00 0.29 C ATOM 866 O ALA A 59 8.313 -1.329 2.177 1.00 0.36 O ATOM 867 CB ALA A 59 7.594 0.306 -0.644 1.00 0.29 C ATOM 0 H ALA A 59 7.784 -1.657 -2.086 1.00 0.29 H new ATOM 0 HA ALA A 59 9.346 -0.750 0.010 1.00 0.30 H new ATOM 0 HB1 ALA A 59 7.627 1.045 0.157 1.00 0.29 H new ATOM 0 HB2 ALA A 59 8.097 0.704 -1.526 1.00 0.29 H new ATOM 0 HB3 ALA A 59 6.556 0.082 -0.889 1.00 0.29 H new ATOM 873 N LEU A 60 6.484 -2.041 1.071 1.00 0.25 N ATOM 874 CA LEU A 60 5.747 -2.525 2.235 1.00 0.27 C ATOM 875 C LEU A 60 6.440 -3.744 2.838 1.00 0.30 C ATOM 876 O LEU A 60 6.589 -3.862 4.057 1.00 0.35 O ATOM 877 CB LEU A 60 4.316 -2.866 1.802 1.00 0.24 C ATOM 878 CG LEU A 60 3.485 -1.605 1.597 1.00 0.38 C ATOM 879 CD1 LEU A 60 2.333 -1.812 0.619 1.00 0.93 C ATOM 880 CD2 LEU A 60 2.907 -1.141 2.929 1.00 0.97 C ATOM 0 H LEU A 60 5.980 -2.175 0.195 1.00 0.25 H new ATOM 0 HA LEU A 60 5.718 -1.752 3.003 1.00 0.27 H new ATOM 0 HB2 LEU A 60 4.341 -3.442 0.877 1.00 0.24 H new ATOM 0 HB3 LEU A 60 3.845 -3.496 2.557 1.00 0.24 H new ATOM 0 HG LEU A 60 4.156 -0.855 1.179 1.00 0.38 H new ATOM 0 HD11 LEU A 60 1.775 -0.882 0.511 1.00 0.93 H new ATOM 0 HD12 LEU A 60 2.729 -2.112 -0.351 1.00 0.93 H new ATOM 0 HD13 LEU A 60 1.670 -2.590 0.997 1.00 0.93 H new ATOM 0 HD21 LEU A 60 2.314 -0.239 2.774 1.00 0.97 H new ATOM 0 HD22 LEU A 60 2.273 -1.925 3.343 1.00 0.97 H new ATOM 0 HD23 LEU A 60 3.719 -0.926 3.623 1.00 0.97 H new ATOM 892 N GLN A 61 6.893 -4.637 1.965 1.00 0.30 N ATOM 893 CA GLN A 61 7.702 -5.783 2.340 1.00 0.40 C ATOM 894 C GLN A 61 8.922 -5.312 3.137 1.00 0.45 C ATOM 895 O GLN A 61 9.113 -5.766 4.262 1.00 0.50 O ATOM 896 CB GLN A 61 8.069 -6.619 1.098 1.00 0.43 C ATOM 897 CG GLN A 61 7.501 -8.048 1.154 1.00 0.53 C ATOM 898 CD GLN A 61 7.094 -8.538 -0.234 1.00 1.18 C ATOM 899 OE1 GLN A 61 7.918 -8.585 -1.142 1.00 2.59 O ATOM 900 NE2 GLN A 61 5.819 -8.880 -0.403 1.00 0.72 N ATOM 0 H GLN A 61 6.704 -4.581 0.964 1.00 0.30 H new ATOM 0 HA GLN A 61 7.131 -6.446 2.990 1.00 0.40 H new ATOM 0 HB2 GLN A 61 7.695 -6.119 0.205 1.00 0.43 H new ATOM 0 HB3 GLN A 61 9.154 -6.667 1.005 1.00 0.43 H new ATOM 0 HG2 GLN A 61 8.247 -8.722 1.576 1.00 0.53 H new ATOM 0 HG3 GLN A 61 6.637 -8.073 1.818 1.00 0.53 H new ATOM 0 HE21 GLN A 61 5.168 -8.825 0.380 1.00 0.72 H new ATOM 0 HE22 GLN A 61 5.493 -9.197 -1.316 1.00 0.72 H new ATOM 909 N LYS A 62 9.719 -4.373 2.604 1.00 0.46 N ATOM 910 CA LYS A 62 10.870 -3.885 3.364 1.00 0.48 C ATOM 911 C LYS A 62 10.436 -3.138 4.632 1.00 0.48 C ATOM 912 O LYS A 62 11.115 -3.214 5.652 1.00 0.54 O ATOM 913 CB LYS A 62 11.860 -3.070 2.512 1.00 0.62 C ATOM 914 CG LYS A 62 11.322 -1.718 2.030 1.00 1.96 C ATOM 915 CD LYS A 62 12.445 -0.779 1.567 1.00 2.03 C ATOM 916 CE LYS A 62 11.916 0.491 0.871 1.00 4.05 C ATOM 917 NZ LYS A 62 10.886 1.218 1.653 1.00 4.99 N ATOM 0 H LYS A 62 9.592 -3.952 1.684 1.00 0.46 H new ATOM 0 HA LYS A 62 11.422 -4.769 3.683 1.00 0.48 H new ATOM 0 HB2 LYS A 62 12.766 -2.900 3.094 1.00 0.62 H new ATOM 0 HB3 LYS A 62 12.146 -3.663 1.644 1.00 0.62 H new ATOM 0 HG2 LYS A 62 10.623 -1.879 1.209 1.00 1.96 H new ATOM 0 HG3 LYS A 62 10.763 -1.243 2.836 1.00 1.96 H new ATOM 0 HD2 LYS A 62 13.049 -0.491 2.428 1.00 2.03 H new ATOM 0 HD3 LYS A 62 13.102 -1.316 0.882 1.00 2.03 H new ATOM 0 HE2 LYS A 62 12.752 1.163 0.677 1.00 4.05 H new ATOM 0 HE3 LYS A 62 11.497 0.216 -0.097 1.00 4.05 H new ATOM 0 HZ1 LYS A 62 10.590 2.068 1.132 1.00 4.99 H new ATOM 0 HZ2 LYS A 62 10.063 0.600 1.803 1.00 4.99 H new ATOM 0 HZ3 LYS A 62 11.282 1.497 2.574 1.00 4.99 H new ATOM 931 N ALA A 63 9.325 -2.392 4.572 1.00 0.44 N ATOM 932 CA ALA A 63 8.795 -1.683 5.733 1.00 0.46 C ATOM 933 C ALA A 63 8.440 -2.667 6.851 1.00 0.49 C ATOM 934 O ALA A 63 8.583 -2.338 8.025 1.00 0.55 O ATOM 935 CB ALA A 63 7.588 -0.829 5.338 1.00 0.45 C ATOM 0 H ALA A 63 8.775 -2.267 3.722 1.00 0.44 H new ATOM 0 HA ALA A 63 9.567 -1.013 6.112 1.00 0.46 H new ATOM 0 HB1 ALA A 63 7.207 -0.309 6.217 1.00 0.45 H new ATOM 0 HB2 ALA A 63 7.889 -0.099 4.586 1.00 0.45 H new ATOM 0 HB3 ALA A 63 6.807 -1.470 4.929 1.00 0.45 H new ATOM 941 N GLY A 64 8.000 -3.870 6.473 1.00 0.51 N ATOM 942 CA GLY A 64 7.871 -5.011 7.363 1.00 0.58 C ATOM 943 C GLY A 64 6.424 -5.471 7.479 1.00 0.54 C ATOM 944 O GLY A 64 5.967 -5.763 8.582 1.00 0.69 O ATOM 0 H GLY A 64 7.718 -4.075 5.514 1.00 0.51 H new ATOM 0 HA2 GLY A 64 8.486 -5.832 6.994 1.00 0.58 H new ATOM 0 HA3 GLY A 64 8.250 -4.748 8.350 1.00 0.58 H new ATOM 948 N TYR A 65 5.707 -5.553 6.352 1.00 0.41 N ATOM 949 CA TYR A 65 4.348 -6.076 6.316 1.00 0.41 C ATOM 950 C TYR A 65 4.242 -7.090 5.181 1.00 0.46 C ATOM 951 O TYR A 65 4.636 -6.784 4.055 1.00 1.02 O ATOM 952 CB TYR A 65 3.345 -4.935 6.111 1.00 0.48 C ATOM 953 CG TYR A 65 3.619 -3.694 6.936 1.00 0.61 C ATOM 954 CD1 TYR A 65 3.429 -3.715 8.330 1.00 1.89 C ATOM 955 CD2 TYR A 65 4.153 -2.549 6.321 1.00 1.98 C ATOM 956 CE1 TYR A 65 3.763 -2.588 9.101 1.00 1.94 C ATOM 957 CE2 TYR A 65 4.447 -1.408 7.087 1.00 2.07 C ATOM 958 CZ TYR A 65 4.267 -1.433 8.479 1.00 0.97 C ATOM 959 OH TYR A 65 4.586 -0.333 9.220 1.00 1.18 O ATOM 0 H TYR A 65 6.059 -5.257 5.442 1.00 0.41 H new ATOM 0 HA TYR A 65 4.116 -6.563 7.263 1.00 0.41 H new ATOM 0 HB2 TYR A 65 3.340 -4.660 5.056 1.00 0.48 H new ATOM 0 HB3 TYR A 65 2.346 -5.300 6.350 1.00 0.48 H new ATOM 0 HD1 TYR A 65 3.027 -4.596 8.807 1.00 1.89 H new ATOM 0 HD2 TYR A 65 4.338 -2.546 5.257 1.00 1.98 H new ATOM 0 HE1 TYR A 65 3.632 -2.610 10.173 1.00 1.94 H new ATOM 0 HE2 TYR A 65 4.811 -0.513 6.605 1.00 2.07 H new ATOM 0 HH TYR A 65 4.049 -0.324 10.040 1.00 1.18 H new ATOM 969 N SER A 66 3.705 -8.281 5.454 1.00 0.53 N ATOM 970 CA SER A 66 3.464 -9.256 4.405 1.00 0.48 C ATOM 971 C SER A 66 2.099 -8.949 3.807 1.00 0.40 C ATOM 972 O SER A 66 1.084 -9.141 4.478 1.00 0.66 O ATOM 973 CB SER A 66 3.502 -10.677 4.966 1.00 0.66 C ATOM 974 OG SER A 66 4.721 -10.888 5.652 1.00 1.97 O ATOM 0 H SER A 66 3.433 -8.586 6.388 1.00 0.53 H new ATOM 0 HA SER A 66 4.239 -9.194 3.641 1.00 0.48 H new ATOM 0 HB2 SER A 66 2.662 -10.834 5.642 1.00 0.66 H new ATOM 0 HB3 SER A 66 3.399 -11.400 4.157 1.00 0.66 H new ATOM 0 HG SER A 66 4.741 -11.799 6.012 1.00 1.97 H new ATOM 980 N LEU A 67 2.084 -8.464 2.566 1.00 0.51 N ATOM 981 CA LEU A 67 0.858 -8.311 1.803 1.00 0.50 C ATOM 982 C LEU A 67 0.655 -9.485 0.853 1.00 0.54 C ATOM 983 O LEU A 67 1.503 -10.371 0.757 1.00 0.59 O ATOM 984 CB LEU A 67 0.794 -6.943 1.097 1.00 0.40 C ATOM 985 CG LEU A 67 1.908 -6.592 0.105 1.00 0.39 C ATOM 986 CD1 LEU A 67 1.855 -7.468 -1.150 1.00 0.83 C ATOM 987 CD2 LEU A 67 1.670 -5.122 -0.258 1.00 0.94 C ATOM 0 H LEU A 67 2.923 -8.168 2.067 1.00 0.51 H new ATOM 0 HA LEU A 67 0.020 -8.326 2.499 1.00 0.50 H new ATOM 0 HB2 LEU A 67 -0.156 -6.886 0.566 1.00 0.40 H new ATOM 0 HB3 LEU A 67 0.776 -6.171 1.866 1.00 0.40 H new ATOM 0 HG LEU A 67 2.891 -6.761 0.544 1.00 0.39 H new ATOM 0 HD11 LEU A 67 2.662 -7.185 -1.826 1.00 0.83 H new ATOM 0 HD12 LEU A 67 1.968 -8.515 -0.868 1.00 0.83 H new ATOM 0 HD13 LEU A 67 0.897 -7.328 -1.651 1.00 0.83 H new ATOM 0 HD21 LEU A 67 2.430 -4.795 -0.967 1.00 0.94 H new ATOM 0 HD22 LEU A 67 0.683 -5.013 -0.708 1.00 0.94 H new ATOM 0 HD23 LEU A 67 1.727 -4.511 0.643 1.00 0.94 H new ATOM 999 N ARG A 68 -0.466 -9.467 0.134 1.00 0.68 N ATOM 1000 CA ARG A 68 -0.658 -10.205 -1.097 1.00 0.77 C ATOM 1001 C ARG A 68 -1.196 -9.205 -2.102 1.00 0.82 C ATOM 1002 O ARG A 68 -2.005 -8.343 -1.737 1.00 1.18 O ATOM 1003 CB ARG A 68 -1.656 -11.342 -0.895 1.00 0.94 C ATOM 1004 CG ARG A 68 -1.046 -12.399 0.032 1.00 0.54 C ATOM 1005 CD ARG A 68 -1.820 -13.721 -0.007 1.00 1.20 C ATOM 1006 NE ARG A 68 -1.028 -14.794 0.616 1.00 1.61 N ATOM 1007 CZ ARG A 68 -1.338 -16.101 0.593 1.00 2.60 C ATOM 1008 NH1 ARG A 68 -2.508 -16.497 0.080 1.00 3.47 N ATOM 1009 NH2 ARG A 68 -0.477 -17.003 1.077 1.00 3.21 N ATOM 0 H ARG A 68 -1.284 -8.921 0.406 1.00 0.68 H new ATOM 0 HA ARG A 68 0.274 -10.656 -1.437 1.00 0.77 H new ATOM 0 HB2 ARG A 68 -2.581 -10.956 -0.466 1.00 0.94 H new ATOM 0 HB3 ARG A 68 -1.913 -11.790 -1.855 1.00 0.94 H new ATOM 0 HG2 ARG A 68 -0.010 -12.578 -0.256 1.00 0.54 H new ATOM 0 HG3 ARG A 68 -1.031 -12.019 1.053 1.00 0.54 H new ATOM 0 HD2 ARG A 68 -2.770 -13.610 0.516 1.00 1.20 H new ATOM 0 HD3 ARG A 68 -2.053 -13.984 -1.039 1.00 1.20 H new ATOM 0 HE ARG A 68 -0.175 -14.523 1.105 1.00 1.61 H new ATOM 0 HH11 ARG A 68 -3.161 -15.808 -0.292 1.00 3.47 H new ATOM 0 HH12 ARG A 68 -2.747 -17.488 0.061 1.00 3.47 H new ATOM 0 HH21 ARG A 68 0.416 -16.699 1.464 1.00 3.21 H new ATOM 0 HH22 ARG A 68 -0.714 -17.995 1.059 1.00 3.21 H new ATOM 1023 N ASP A 69 -0.716 -9.298 -3.340 1.00 0.70 N ATOM 1024 CA ASP A 69 -1.078 -8.416 -4.412 1.00 0.69 C ATOM 1025 C ASP A 69 -2.474 -8.785 -4.867 1.00 0.65 C ATOM 1026 O ASP A 69 -2.708 -9.863 -5.409 1.00 0.84 O ATOM 1027 CB ASP A 69 -0.067 -8.542 -5.553 1.00 0.82 C ATOM 1028 CG ASP A 69 0.035 -9.951 -6.129 1.00 1.83 C ATOM 1029 OD1 ASP A 69 0.248 -10.874 -5.308 1.00 3.12 O ATOM 1030 OD2 ASP A 69 -0.105 -10.056 -7.369 1.00 2.40 O ATOM 0 H ASP A 69 -0.046 -10.015 -3.618 1.00 0.70 H new ATOM 0 HA ASP A 69 -1.068 -7.377 -4.082 1.00 0.69 H new ATOM 0 HB2 ASP A 69 -0.344 -7.852 -6.350 1.00 0.82 H new ATOM 0 HB3 ASP A 69 0.915 -8.234 -5.193 1.00 0.82 H new ATOM 1035 N GLU A 70 -3.422 -7.887 -4.625 1.00 0.59 N ATOM 1036 CA GLU A 70 -4.769 -8.119 -5.096 1.00 0.55 C ATOM 1037 C GLU A 70 -4.876 -7.825 -6.582 1.00 0.47 C ATOM 1038 O GLU A 70 -3.896 -7.463 -7.232 1.00 0.65 O ATOM 1039 CB GLU A 70 -5.817 -7.363 -4.267 1.00 0.72 C ATOM 1040 CG GLU A 70 -6.521 -8.343 -3.355 1.00 0.56 C ATOM 1041 CD GLU A 70 -7.373 -9.360 -4.098 1.00 1.31 C ATOM 1042 OE1 GLU A 70 -7.758 -9.048 -5.246 1.00 2.36 O ATOM 1043 OE2 GLU A 70 -7.571 -10.443 -3.502 1.00 2.41 O ATOM 0 H GLU A 70 -3.282 -7.013 -4.117 1.00 0.59 H new ATOM 0 HA GLU A 70 -4.992 -9.177 -4.955 1.00 0.55 H new ATOM 0 HB2 GLU A 70 -5.339 -6.579 -3.680 1.00 0.72 H new ATOM 0 HB3 GLU A 70 -6.537 -6.875 -4.924 1.00 0.72 H new ATOM 0 HG2 GLU A 70 -5.777 -8.871 -2.759 1.00 0.56 H new ATOM 0 HG3 GLU A 70 -7.153 -7.790 -2.660 1.00 0.56 H new ATOM 1050 N GLN A 71 -6.077 -7.981 -7.113 1.00 0.52 N ATOM 1051 CA GLN A 71 -6.410 -7.620 -8.475 1.00 0.50 C ATOM 1052 C GLN A 71 -6.324 -6.098 -8.657 1.00 0.62 C ATOM 1053 O GLN A 71 -6.372 -5.323 -7.694 1.00 0.76 O ATOM 1054 CB GLN A 71 -7.824 -8.116 -8.771 1.00 0.62 C ATOM 1055 CG GLN A 71 -8.005 -9.627 -8.520 1.00 1.95 C ATOM 1056 CD GLN A 71 -9.441 -9.901 -8.105 1.00 2.72 C ATOM 1057 OE1 GLN A 71 -10.202 -10.511 -8.849 1.00 3.30 O ATOM 1058 NE2 GLN A 71 -9.814 -9.398 -6.936 1.00 3.41 N ATOM 0 H GLN A 71 -6.864 -8.372 -6.594 1.00 0.52 H new ATOM 0 HA GLN A 71 -5.705 -8.080 -9.168 1.00 0.50 H new ATOM 0 HB2 GLN A 71 -8.532 -7.565 -8.152 1.00 0.62 H new ATOM 0 HB3 GLN A 71 -8.069 -7.895 -9.810 1.00 0.62 H new ATOM 0 HG2 GLN A 71 -7.762 -10.188 -9.422 1.00 1.95 H new ATOM 0 HG3 GLN A 71 -7.320 -9.962 -7.742 1.00 1.95 H new ATOM 0 HE21 GLN A 71 -9.139 -8.899 -6.357 1.00 3.41 H new ATOM 0 HE22 GLN A 71 -10.776 -9.510 -6.616 1.00 3.41 H new ATOM 1067 N ALA A 72 -6.228 -5.656 -9.912 1.00 0.80 N ATOM 1068 CA ALA A 72 -6.275 -4.243 -10.260 1.00 1.00 C ATOM 1069 C ALA A 72 -7.726 -3.764 -10.273 1.00 1.35 C ATOM 1070 O ALA A 72 -8.273 -3.432 -11.322 1.00 2.93 O ATOM 1071 CB ALA A 72 -5.581 -4.017 -11.602 1.00 1.31 C ATOM 0 H ALA A 72 -6.115 -6.274 -10.716 1.00 0.80 H new ATOM 0 HA ALA A 72 -5.741 -3.656 -9.513 1.00 1.00 H new ATOM 0 HB1 ALA A 72 -5.619 -2.958 -11.858 1.00 1.31 H new ATOM 0 HB2 ALA A 72 -4.541 -4.336 -11.532 1.00 1.31 H new ATOM 0 HB3 ALA A 72 -6.087 -4.595 -12.375 1.00 1.31 H new ATOM 1077 N ALA A 73 -8.333 -3.747 -9.086 1.00 1.20 N ATOM 1078 CA ALA A 73 -9.708 -3.326 -8.848 1.00 1.34 C ATOM 1079 C ALA A 73 -10.721 -4.285 -9.474 1.00 1.52 C ATOM 1080 O ALA A 73 -11.589 -3.871 -10.241 1.00 2.45 O ATOM 1081 CB ALA A 73 -9.927 -1.876 -9.290 1.00 1.60 C ATOM 0 H ALA A 73 -7.858 -4.039 -8.232 1.00 1.20 H new ATOM 0 HA ALA A 73 -9.880 -3.364 -7.772 1.00 1.34 H new ATOM 0 HB1 ALA A 73 -10.962 -1.590 -9.100 1.00 1.60 H new ATOM 0 HB2 ALA A 73 -9.261 -1.220 -8.730 1.00 1.60 H new ATOM 0 HB3 ALA A 73 -9.715 -1.784 -10.355 1.00 1.60 H new ATOM 1087 N GLU A 74 -10.634 -5.543 -9.052 1.00 2.15 N ATOM 1088 CA GLU A 74 -11.728 -6.493 -9.015 1.00 2.65 C ATOM 1089 C GLU A 74 -11.630 -7.086 -7.602 1.00 4.64 C ATOM 1090 O GLU A 74 -12.195 -8.174 -7.352 1.00 5.75 O ATOM 1091 CB GLU A 74 -11.585 -7.545 -10.127 1.00 3.62 C ATOM 1092 CG GLU A 74 -11.533 -6.913 -11.527 1.00 4.43 C ATOM 1093 CD GLU A 74 -11.742 -7.950 -12.624 1.00 6.01 C ATOM 1094 OE1 GLU A 74 -12.923 -8.195 -12.953 1.00 6.39 O ATOM 1095 OE2 GLU A 74 -10.720 -8.471 -13.119 1.00 7.31 O ATOM 1096 OXT GLU A 74 -10.910 -6.453 -6.791 1.00 5.80 O ATOM 0 H GLU A 74 -9.758 -5.940 -8.713 1.00 2.15 H new ATOM 0 HA GLU A 74 -12.706 -6.048 -9.199 1.00 2.65 H new ATOM 0 HB2 GLU A 74 -10.678 -8.126 -9.960 1.00 3.62 H new ATOM 0 HB3 GLU A 74 -12.423 -8.240 -10.076 1.00 3.62 H new ATOM 0 HG2 GLU A 74 -12.298 -6.141 -11.606 1.00 4.43 H new ATOM 0 HG3 GLU A 74 -10.570 -6.423 -11.669 1.00 4.43 H new TER 1103 GLU A 74