USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 915 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 SER OG : rot 180:sc=0.000782 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -150:sc= -0.336 USER MOD Single : A 31 THR OG1 : rot 155:sc= 0.242 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0543 K(o=-0.054,f=-0.89) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 153:sc= -1.58! (180deg=-2.71!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.027 USER MOD Single : A 57 MET CE :methyl -108:sc= -1.35 (180deg=-5.87!) USER MOD Single : A 60 MET CE :methyl -169:sc= -1.38 (180deg=-1.86) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.179 F(o=-2.4,f=-0.18) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -8.27! C(o=-8.3!,f=-8.9!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -142:sc= -3.32 (180deg=-6.83!) USER MOD Single : A 82 THR OG1 : rot -140:sc= 0.242 USER MOD Single : A 84 HIS : no HD1:sc= -0.35 X(o=-0.35,f=-0.039) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 TYR OH : rot -120:sc= 0.231 USER MOD Single : A 104 LYS NZ :NH3+ -121:sc= 0.304 (180deg=-0.228) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -0.0539 X(o=-0.054,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N ARG A 3 -0.947 4.703 -1.058 1.00 22.34 N ATOM 36 CA ARG A 3 -2.070 5.435 -0.486 1.00 10.33 C ATOM 37 C ARG A 3 -2.405 4.915 0.909 1.00 72.31 C ATOM 38 O ARG A 3 -2.308 3.718 1.176 1.00 64.21 O ATOM 39 CB ARG A 3 -3.296 5.320 -1.393 1.00 14.41 C ATOM 40 CG ARG A 3 -4.434 6.249 -1.000 1.00 43.23 C ATOM 41 CD ARG A 3 -5.308 5.633 0.081 1.00 50.33 C ATOM 42 NE ARG A 3 -6.653 5.337 -0.406 1.00 23.12 N ATOM 43 CZ ARG A 3 -7.486 4.500 0.202 1.00 14.31 C ATOM 44 NH1 ARG A 3 -7.115 3.881 1.314 1.00 35.21 N ATOM 45 NH2 ARG A 3 -8.694 4.282 -0.302 1.00 53.31 N ATOM 0 HA ARG A 3 -1.784 6.484 -0.405 1.00 10.33 H new ATOM 0 HB2 ARG A 3 -3.000 5.536 -2.419 1.00 14.41 H new ATOM 0 HB3 ARG A 3 -3.655 4.291 -1.375 1.00 14.41 H new ATOM 0 HG2 ARG A 3 -4.026 7.195 -0.644 1.00 43.23 H new ATOM 0 HG3 ARG A 3 -5.042 6.473 -1.877 1.00 43.23 H new ATOM 0 HD2 ARG A 3 -4.844 4.716 0.444 1.00 50.33 H new ATOM 0 HD3 ARG A 3 -5.371 6.315 0.929 1.00 50.33 H new ATOM 0 HE ARG A 3 -6.970 5.798 -1.259 1.00 23.12 H new ATOM 0 HH11 ARG A 3 -6.188 4.047 1.705 1.00 35.21 H new ATOM 0 HH12 ARG A 3 -7.757 3.239 1.779 1.00 35.21 H new ATOM 0 HH21 ARG A 3 -8.983 4.757 -1.157 1.00 53.31 H new ATOM 0 HH22 ARG A 3 -9.333 3.639 0.165 1.00 53.31 H new ATOM 59 N GLY A 4 -2.800 5.824 1.795 1.00 33.34 N ATOM 60 CA GLY A 4 -3.143 5.437 3.152 1.00 50.34 C ATOM 61 C GLY A 4 -3.652 6.603 3.976 1.00 44.43 C ATOM 62 O GLY A 4 -3.576 7.755 3.547 1.00 44.05 O ATOM 0 H GLY A 4 -2.889 6.821 1.598 1.00 33.34 H new ATOM 0 HA2 GLY A 4 -3.904 4.657 3.123 1.00 50.34 H new ATOM 0 HA3 GLY A 4 -2.266 5.009 3.637 1.00 50.34 H new ATOM 66 N ILE A 5 -4.173 6.305 5.161 1.00 3.30 N ATOM 67 CA ILE A 5 -4.696 7.338 6.046 1.00 13.23 C ATOM 68 C ILE A 5 -3.573 8.204 6.606 1.00 25.20 C ATOM 69 O ILE A 5 -2.626 7.698 7.210 1.00 74.12 O ATOM 70 CB ILE A 5 -5.490 6.728 7.216 1.00 31.53 C ATOM 71 CG1 ILE A 5 -6.723 5.988 6.693 1.00 14.15 C ATOM 72 CG2 ILE A 5 -5.895 7.811 8.204 1.00 2.25 C ATOM 73 CD1 ILE A 5 -7.586 5.402 7.789 1.00 20.21 C ATOM 0 H ILE A 5 -4.244 5.357 5.530 1.00 3.30 H new ATOM 0 HA ILE A 5 -5.364 7.957 5.447 1.00 13.23 H new ATOM 0 HB ILE A 5 -4.852 6.012 7.734 1.00 31.53 H new ATOM 0 HG12 ILE A 5 -7.324 6.675 6.097 1.00 14.15 H new ATOM 0 HG13 ILE A 5 -6.401 5.187 6.028 1.00 14.15 H new ATOM 0 HG21 ILE A 5 -6.455 7.364 9.025 1.00 2.25 H new ATOM 0 HG22 ILE A 5 -5.002 8.297 8.597 1.00 2.25 H new ATOM 0 HG23 ILE A 5 -6.518 8.549 7.699 1.00 2.25 H new ATOM 0 HD11 ILE A 5 -8.441 4.892 7.345 1.00 20.21 H new ATOM 0 HD12 ILE A 5 -7.001 4.690 8.371 1.00 20.21 H new ATOM 0 HD13 ILE A 5 -7.938 6.201 8.441 1.00 20.21 H new ATOM 85 N VAL A 6 -3.684 9.513 6.403 1.00 60.20 N ATOM 86 CA VAL A 6 -2.679 10.450 6.890 1.00 40.22 C ATOM 87 C VAL A 6 -3.297 11.481 7.827 1.00 35.05 C ATOM 88 O VAL A 6 -3.960 12.419 7.385 1.00 45.55 O ATOM 89 CB VAL A 6 -1.984 11.182 5.726 1.00 11.44 C ATOM 90 CG1 VAL A 6 -0.998 12.212 6.256 1.00 13.53 C ATOM 91 CG2 VAL A 6 -1.287 10.187 4.811 1.00 33.13 C ATOM 0 H VAL A 6 -4.460 9.948 5.905 1.00 60.20 H new ATOM 0 HA VAL A 6 -1.939 9.865 7.436 1.00 40.22 H new ATOM 0 HB VAL A 6 -2.743 11.706 5.144 1.00 11.44 H new ATOM 0 HG11 VAL A 6 -0.517 12.719 5.420 1.00 13.53 H new ATOM 0 HG12 VAL A 6 -1.528 12.943 6.867 1.00 13.53 H new ATOM 0 HG13 VAL A 6 -0.241 11.713 6.862 1.00 13.53 H new ATOM 0 HG21 VAL A 6 -0.802 10.722 3.995 1.00 33.13 H new ATOM 0 HG22 VAL A 6 -0.538 9.634 5.378 1.00 33.13 H new ATOM 0 HG23 VAL A 6 -2.021 9.491 4.404 1.00 33.13 H new ATOM 101 N TRP A 7 -3.077 11.300 9.124 1.00 23.04 N ATOM 102 CA TRP A 7 -3.612 12.215 10.126 1.00 54.32 C ATOM 103 C TRP A 7 -2.520 13.131 10.666 1.00 42.43 C ATOM 104 O TRP A 7 -1.465 12.668 11.098 1.00 24.51 O ATOM 105 CB TRP A 7 -4.251 11.431 11.273 1.00 11.44 C ATOM 106 CG TRP A 7 -5.530 10.751 10.889 1.00 41.05 C ATOM 107 CD1 TRP A 7 -6.117 10.746 9.655 1.00 2.24 C ATOM 108 CD2 TRP A 7 -6.380 9.978 11.743 1.00 51.13 C ATOM 109 NE1 TRP A 7 -7.281 10.017 9.692 1.00 62.24 N ATOM 110 CE2 TRP A 7 -7.464 9.534 10.960 1.00 12.34 C ATOM 111 CE3 TRP A 7 -6.330 9.616 13.091 1.00 32.14 C ATOM 112 CZ2 TRP A 7 -8.488 8.749 11.484 1.00 4.03 C ATOM 113 CZ3 TRP A 7 -7.347 8.837 13.610 1.00 62.30 C ATOM 114 CH2 TRP A 7 -8.413 8.409 12.808 1.00 53.42 C ATOM 0 H TRP A 7 -2.532 10.528 9.507 1.00 23.04 H new ATOM 0 HA TRP A 7 -4.373 12.832 9.648 1.00 54.32 H new ATOM 0 HB2 TRP A 7 -3.543 10.683 11.630 1.00 11.44 H new ATOM 0 HB3 TRP A 7 -4.444 12.110 12.104 1.00 11.44 H new ATOM 0 HD1 TRP A 7 -5.724 11.242 8.780 1.00 2.24 H new ATOM 0 HE1 TRP A 7 -7.908 9.861 8.902 1.00 62.24 H new ATOM 0 HE3 TRP A 7 -5.511 9.939 13.717 1.00 32.14 H new ATOM 0 HZ2 TRP A 7 -9.312 8.420 10.868 1.00 4.03 H new ATOM 0 HZ3 TRP A 7 -7.319 8.553 14.652 1.00 62.30 H new ATOM 0 HH2 TRP A 7 -9.191 7.799 13.243 1.00 53.42 H new ATOM 125 N VAL A 8 -2.779 14.435 10.638 1.00 31.12 N ATOM 126 CA VAL A 8 -1.818 15.416 11.127 1.00 44.25 C ATOM 127 C VAL A 8 -2.480 16.410 12.074 1.00 41.22 C ATOM 128 O VAL A 8 -3.323 17.208 11.664 1.00 75.41 O ATOM 129 CB VAL A 8 -1.164 16.188 9.965 1.00 52.03 C ATOM 130 CG1 VAL A 8 -0.010 17.040 10.471 1.00 34.24 C ATOM 131 CG2 VAL A 8 -0.693 15.226 8.885 1.00 73.14 C ATOM 0 H VAL A 8 -3.647 14.836 10.282 1.00 31.12 H new ATOM 0 HA VAL A 8 -1.048 14.863 11.666 1.00 44.25 H new ATOM 0 HB VAL A 8 -1.910 16.852 9.528 1.00 52.03 H new ATOM 0 HG11 VAL A 8 0.439 17.577 9.636 1.00 34.24 H new ATOM 0 HG12 VAL A 8 -0.380 17.755 11.206 1.00 34.24 H new ATOM 0 HG13 VAL A 8 0.740 16.399 10.935 1.00 34.24 H new ATOM 0 HG21 VAL A 8 -0.234 15.788 8.072 1.00 73.14 H new ATOM 0 HG22 VAL A 8 0.037 14.535 9.306 1.00 73.14 H new ATOM 0 HG23 VAL A 8 -1.545 14.664 8.502 1.00 73.14 H new ATOM 141 N VAL A 9 -2.092 16.358 13.344 1.00 24.31 N ATOM 142 CA VAL A 9 -2.646 17.255 14.351 1.00 72.32 C ATOM 143 C VAL A 9 -1.666 18.372 14.691 1.00 33.10 C ATOM 144 O VAL A 9 -0.646 18.141 15.340 1.00 33.54 O ATOM 145 CB VAL A 9 -3.010 16.495 15.640 1.00 25.04 C ATOM 146 CG1 VAL A 9 -1.775 15.838 16.239 1.00 11.33 C ATOM 147 CG2 VAL A 9 -3.665 17.432 16.644 1.00 42.13 C ATOM 0 H VAL A 9 -1.395 15.704 13.700 1.00 24.31 H new ATOM 0 HA VAL A 9 -3.551 17.688 13.926 1.00 72.32 H new ATOM 0 HB VAL A 9 -3.725 15.711 15.389 1.00 25.04 H new ATOM 0 HG11 VAL A 9 -2.051 15.306 17.149 1.00 11.33 H new ATOM 0 HG12 VAL A 9 -1.353 15.135 15.521 1.00 11.33 H new ATOM 0 HG13 VAL A 9 -1.035 16.602 16.476 1.00 11.33 H new ATOM 0 HG21 VAL A 9 -3.916 16.878 17.549 1.00 42.13 H new ATOM 0 HG22 VAL A 9 -2.976 18.239 16.892 1.00 42.13 H new ATOM 0 HG23 VAL A 9 -4.574 17.851 16.212 1.00 42.13 H new ATOM 157 N ASP A 10 -1.983 19.584 14.249 1.00 61.12 N ATOM 158 CA ASP A 10 -1.131 20.739 14.508 1.00 71.14 C ATOM 159 C ASP A 10 -1.901 22.039 14.300 1.00 11.40 C ATOM 160 O ASP A 10 -2.930 22.062 13.625 1.00 71.04 O ATOM 161 CB ASP A 10 0.097 20.708 13.597 1.00 62.02 C ATOM 162 CG ASP A 10 -0.266 20.840 12.131 1.00 43.12 C ATOM 163 OD1 ASP A 10 -1.473 20.806 11.813 1.00 22.24 O ATOM 164 OD2 ASP A 10 0.658 20.977 11.301 1.00 75.24 O ATOM 0 H ASP A 10 -2.823 19.792 13.710 1.00 61.12 H new ATOM 0 HA ASP A 10 -0.804 20.693 15.547 1.00 71.14 H new ATOM 0 HB2 ASP A 10 0.773 21.517 13.875 1.00 62.02 H new ATOM 0 HB3 ASP A 10 0.637 19.774 13.752 1.00 62.02 H new ATOM 169 N ASP A 11 -1.396 23.120 14.886 1.00 74.42 N ATOM 170 CA ASP A 11 -2.037 24.424 14.765 1.00 5.32 C ATOM 171 C ASP A 11 -1.232 25.341 13.849 1.00 55.50 C ATOM 172 O ASP A 11 -0.478 26.195 14.316 1.00 64.24 O ATOM 173 CB ASP A 11 -2.192 25.069 16.143 1.00 34.14 C ATOM 174 CG ASP A 11 -0.871 25.198 16.875 1.00 42.20 C ATOM 175 OD1 ASP A 11 -0.236 24.156 17.143 1.00 13.31 O ATOM 176 OD2 ASP A 11 -0.471 26.341 17.179 1.00 44.34 O ATOM 0 H ASP A 11 -0.545 23.118 15.449 1.00 74.42 H new ATOM 0 HA ASP A 11 -3.025 24.278 14.327 1.00 5.32 H new ATOM 0 HB2 ASP A 11 -2.639 26.057 16.030 1.00 34.14 H new ATOM 0 HB3 ASP A 11 -2.880 24.474 16.744 1.00 34.14 H new ATOM 181 N ASP A 12 -1.399 25.159 12.544 1.00 60.22 N ATOM 182 CA ASP A 12 -0.689 25.970 11.562 1.00 62.35 C ATOM 183 C ASP A 12 -1.399 25.934 10.212 1.00 12.40 C ATOM 184 O ASP A 12 -1.677 24.863 9.673 1.00 4.02 O ATOM 185 CB ASP A 12 0.751 25.477 11.407 1.00 11.10 C ATOM 186 CG ASP A 12 1.769 26.556 11.720 1.00 13.22 C ATOM 187 OD1 ASP A 12 1.607 27.242 12.751 1.00 44.21 O ATOM 188 OD2 ASP A 12 2.726 26.715 10.934 1.00 2.30 O ATOM 0 H ASP A 12 -2.020 24.457 12.141 1.00 60.22 H new ATOM 0 HA ASP A 12 -0.676 27.000 11.919 1.00 62.35 H new ATOM 0 HB2 ASP A 12 0.914 24.625 12.068 1.00 11.10 H new ATOM 0 HB3 ASP A 12 0.903 25.123 10.387 1.00 11.10 H new ATOM 193 N SER A 13 -1.692 27.113 9.672 1.00 42.20 N ATOM 194 CA SER A 13 -2.374 27.217 8.388 1.00 55.34 C ATOM 195 C SER A 13 -1.441 26.833 7.244 1.00 72.24 C ATOM 196 O SER A 13 -1.890 26.433 6.170 1.00 71.45 O ATOM 197 CB SER A 13 -2.898 28.640 8.178 1.00 24.40 C ATOM 198 OG SER A 13 -1.879 29.597 8.412 1.00 54.13 O ATOM 0 H SER A 13 -1.468 28.009 10.104 1.00 42.20 H new ATOM 0 HA SER A 13 -3.216 26.525 8.395 1.00 55.34 H new ATOM 0 HB2 SER A 13 -3.275 28.746 7.161 1.00 24.40 H new ATOM 0 HB3 SER A 13 -3.737 28.825 8.849 1.00 24.40 H new ATOM 0 HG SER A 13 -2.237 30.498 8.270 1.00 54.13 H new ATOM 204 N SER A 14 -0.140 26.958 7.483 1.00 63.54 N ATOM 205 CA SER A 14 0.858 26.627 6.472 1.00 2.10 C ATOM 206 C SER A 14 1.113 25.123 6.431 1.00 12.41 C ATOM 207 O SER A 14 0.904 24.475 5.405 1.00 11.31 O ATOM 208 CB SER A 14 2.166 27.370 6.754 1.00 32.31 C ATOM 209 OG SER A 14 3.217 26.878 5.941 1.00 41.00 O ATOM 0 H SER A 14 0.248 27.286 8.367 1.00 63.54 H new ATOM 0 HA SER A 14 0.473 26.939 5.501 1.00 2.10 H new ATOM 0 HB2 SER A 14 2.029 28.436 6.571 1.00 32.31 H new ATOM 0 HB3 SER A 14 2.432 27.258 7.805 1.00 32.31 H new ATOM 0 HG SER A 14 4.041 27.370 6.139 1.00 41.00 H new ATOM 215 N ILE A 15 1.565 24.576 7.554 1.00 60.40 N ATOM 216 CA ILE A 15 1.847 23.149 7.647 1.00 23.45 C ATOM 217 C ILE A 15 0.635 22.320 7.236 1.00 40.45 C ATOM 218 O ILE A 15 0.774 21.251 6.641 1.00 50.42 O ATOM 219 CB ILE A 15 2.266 22.750 9.075 1.00 42.01 C ATOM 220 CG1 ILE A 15 3.375 23.675 9.582 1.00 54.04 C ATOM 221 CG2 ILE A 15 2.723 21.299 9.107 1.00 5.30 C ATOM 222 CD1 ILE A 15 4.566 23.755 8.653 1.00 23.04 C ATOM 0 H ILE A 15 1.744 25.099 8.411 1.00 60.40 H new ATOM 0 HA ILE A 15 2.672 22.946 6.964 1.00 23.45 H new ATOM 0 HB ILE A 15 1.403 22.853 9.733 1.00 42.01 H new ATOM 0 HG12 ILE A 15 2.966 24.676 9.723 1.00 54.04 H new ATOM 0 HG13 ILE A 15 3.709 23.327 10.559 1.00 54.04 H new ATOM 0 HG21 ILE A 15 3.016 21.032 10.122 1.00 5.30 H new ATOM 0 HG22 ILE A 15 1.907 20.653 8.783 1.00 5.30 H new ATOM 0 HG23 ILE A 15 3.574 21.171 8.438 1.00 5.30 H new ATOM 0 HD11 ILE A 15 5.312 24.428 9.075 1.00 23.04 H new ATOM 0 HD12 ILE A 15 5.000 22.762 8.531 1.00 23.04 H new ATOM 0 HD13 ILE A 15 4.245 24.132 7.682 1.00 23.04 H new ATOM 234 N ARG A 16 -0.554 22.822 7.554 1.00 4.22 N ATOM 235 CA ARG A 16 -1.791 22.129 7.217 1.00 60.03 C ATOM 236 C ARG A 16 -2.093 22.250 5.726 1.00 41.32 C ATOM 237 O ARG A 16 -2.661 21.341 5.122 1.00 70.33 O ATOM 238 CB ARG A 16 -2.956 22.694 8.031 1.00 2.34 C ATOM 239 CG ARG A 16 -2.989 22.201 9.469 1.00 54.51 C ATOM 240 CD ARG A 16 -4.209 21.331 9.731 1.00 4.31 C ATOM 241 NE ARG A 16 -5.452 22.092 9.648 1.00 53.23 N ATOM 242 CZ ARG A 16 -5.847 22.959 10.574 1.00 73.41 C ATOM 243 NH1 ARG A 16 -5.100 23.173 11.648 1.00 43.03 N ATOM 244 NH2 ARG A 16 -6.992 23.613 10.427 1.00 52.02 N ATOM 0 H ARG A 16 -0.686 23.706 8.045 1.00 4.22 H new ATOM 0 HA ARG A 16 -1.664 21.074 7.461 1.00 60.03 H new ATOM 0 HB2 ARG A 16 -2.895 23.782 8.030 1.00 2.34 H new ATOM 0 HB3 ARG A 16 -3.893 22.427 7.542 1.00 2.34 H new ATOM 0 HG2 ARG A 16 -2.083 21.633 9.681 1.00 54.51 H new ATOM 0 HG3 ARG A 16 -2.996 23.054 10.147 1.00 54.51 H new ATOM 0 HD2 ARG A 16 -4.234 20.515 9.008 1.00 4.31 H new ATOM 0 HD3 ARG A 16 -4.126 20.879 10.719 1.00 4.31 H new ATOM 0 HE ARG A 16 -6.050 21.950 8.834 1.00 53.23 H new ATOM 0 HH11 ARG A 16 -4.220 22.671 11.765 1.00 43.03 H new ATOM 0 HH12 ARG A 16 -5.406 23.839 12.357 1.00 43.03 H new ATOM 0 HH21 ARG A 16 -7.570 23.450 9.602 1.00 52.02 H new ATOM 0 HH22 ARG A 16 -7.294 24.278 11.139 1.00 52.02 H new ATOM 258 N TRP A 17 -1.710 23.379 5.140 1.00 25.12 N ATOM 259 CA TRP A 17 -1.940 23.619 3.720 1.00 2.21 C ATOM 260 C TRP A 17 -0.985 22.792 2.866 1.00 10.22 C ATOM 261 O TRP A 17 -1.415 21.987 2.040 1.00 64.00 O ATOM 262 CB TRP A 17 -1.773 25.106 3.400 1.00 60.52 C ATOM 263 CG TRP A 17 -1.586 25.381 1.938 1.00 24.15 C ATOM 264 CD1 TRP A 17 -2.545 25.342 0.967 1.00 32.45 C ATOM 265 CD2 TRP A 17 -0.363 25.736 1.283 1.00 31.31 C ATOM 266 NE1 TRP A 17 -1.993 25.651 -0.252 1.00 63.41 N ATOM 267 CE2 TRP A 17 -0.656 25.897 -0.085 1.00 43.33 C ATOM 268 CE3 TRP A 17 0.950 25.935 1.719 1.00 35.32 C ATOM 269 CZ2 TRP A 17 0.317 26.247 -1.018 1.00 21.11 C ATOM 270 CZ3 TRP A 17 1.914 26.281 0.792 1.00 10.32 C ATOM 271 CH2 TRP A 17 1.594 26.435 -0.563 1.00 50.33 C ATOM 0 H TRP A 17 -1.239 24.142 5.626 1.00 25.12 H new ATOM 0 HA TRP A 17 -2.961 23.316 3.486 1.00 2.21 H new ATOM 0 HB2 TRP A 17 -2.650 25.648 3.755 1.00 60.52 H new ATOM 0 HB3 TRP A 17 -0.915 25.494 3.948 1.00 60.52 H new ATOM 0 HD1 TRP A 17 -3.585 25.103 1.133 1.00 32.45 H new ATOM 0 HE1 TRP A 17 -2.497 25.691 -1.138 1.00 63.41 H new ATOM 0 HE3 TRP A 17 1.206 25.820 2.762 1.00 35.32 H new ATOM 0 HZ2 TRP A 17 0.073 26.366 -2.063 1.00 21.11 H new ATOM 0 HZ3 TRP A 17 2.932 26.435 1.118 1.00 10.32 H new ATOM 0 HH2 TRP A 17 2.370 26.707 -1.263 1.00 50.33 H new ATOM 282 N VAL A 18 0.313 22.996 3.071 1.00 74.23 N ATOM 283 CA VAL A 18 1.328 22.267 2.320 1.00 43.40 C ATOM 284 C VAL A 18 1.056 20.767 2.340 1.00 42.53 C ATOM 285 O VAL A 18 1.319 20.065 1.363 1.00 25.51 O ATOM 286 CB VAL A 18 2.738 22.530 2.883 1.00 71.34 C ATOM 287 CG1 VAL A 18 3.259 23.878 2.410 1.00 42.30 C ATOM 288 CG2 VAL A 18 2.727 22.456 4.402 1.00 71.20 C ATOM 0 H VAL A 18 0.686 23.659 3.750 1.00 74.23 H new ATOM 0 HA VAL A 18 1.281 22.627 1.292 1.00 43.40 H new ATOM 0 HB VAL A 18 3.410 21.757 2.510 1.00 71.34 H new ATOM 0 HG11 VAL A 18 4.256 24.046 2.818 1.00 42.30 H new ATOM 0 HG12 VAL A 18 3.306 23.888 1.321 1.00 42.30 H new ATOM 0 HG13 VAL A 18 2.589 24.667 2.752 1.00 42.30 H new ATOM 0 HG21 VAL A 18 3.731 22.644 4.783 1.00 71.20 H new ATOM 0 HG22 VAL A 18 2.042 23.206 4.798 1.00 71.20 H new ATOM 0 HG23 VAL A 18 2.400 21.465 4.716 1.00 71.20 H new ATOM 298 N LEU A 19 0.527 20.283 3.458 1.00 60.44 N ATOM 299 CA LEU A 19 0.218 18.865 3.605 1.00 33.44 C ATOM 300 C LEU A 19 -0.824 18.425 2.582 1.00 14.00 C ATOM 301 O LEU A 19 -0.584 17.514 1.791 1.00 75.14 O ATOM 302 CB LEU A 19 -0.288 18.577 5.020 1.00 5.54 C ATOM 303 CG LEU A 19 0.765 18.115 6.028 1.00 4.32 C ATOM 304 CD1 LEU A 19 0.141 17.919 7.401 1.00 74.43 C ATOM 305 CD2 LEU A 19 1.430 16.831 5.554 1.00 43.31 C ATOM 0 H LEU A 19 0.303 20.851 4.275 1.00 60.44 H new ATOM 0 HA LEU A 19 1.133 18.300 3.430 1.00 33.44 H new ATOM 0 HB2 LEU A 19 -0.760 19.480 5.406 1.00 5.54 H new ATOM 0 HB3 LEU A 19 -1.063 17.813 4.959 1.00 5.54 H new ATOM 0 HG LEU A 19 1.529 18.889 6.106 1.00 4.32 H new ATOM 0 HD11 LEU A 19 0.906 17.590 8.105 1.00 74.43 H new ATOM 0 HD12 LEU A 19 -0.287 18.861 7.744 1.00 74.43 H new ATOM 0 HD13 LEU A 19 -0.644 17.165 7.340 1.00 74.43 H new ATOM 0 HD21 LEU A 19 2.176 16.517 6.284 1.00 43.31 H new ATOM 0 HD22 LEU A 19 0.677 16.050 5.446 1.00 43.31 H new ATOM 0 HD23 LEU A 19 1.913 17.005 4.593 1.00 43.31 H new ATOM 317 N GLU A 20 -1.981 19.081 2.603 1.00 23.33 N ATOM 318 CA GLU A 20 -3.058 18.758 1.676 1.00 74.52 C ATOM 319 C GLU A 20 -2.559 18.774 0.234 1.00 24.40 C ATOM 320 O GLU A 20 -2.891 17.893 -0.559 1.00 73.13 O ATOM 321 CB GLU A 20 -4.214 19.747 1.838 1.00 53.05 C ATOM 322 CG GLU A 20 -5.403 19.447 0.940 1.00 63.33 C ATOM 323 CD GLU A 20 -6.669 20.144 1.396 1.00 55.20 C ATOM 324 OE1 GLU A 20 -6.562 21.172 2.096 1.00 10.34 O ATOM 325 OE2 GLU A 20 -7.769 19.661 1.052 1.00 43.42 O ATOM 0 H GLU A 20 -2.195 19.838 3.252 1.00 23.33 H new ATOM 0 HA GLU A 20 -3.413 17.754 1.908 1.00 74.52 H new ATOM 0 HB2 GLU A 20 -4.544 19.741 2.877 1.00 53.05 H new ATOM 0 HB3 GLU A 20 -3.853 20.753 1.624 1.00 53.05 H new ATOM 0 HG2 GLU A 20 -5.170 19.755 -0.079 1.00 63.33 H new ATOM 0 HG3 GLU A 20 -5.574 18.371 0.917 1.00 63.33 H new ATOM 332 N ARG A 21 -1.758 19.782 -0.097 1.00 74.33 N ATOM 333 CA ARG A 21 -1.214 19.914 -1.443 1.00 40.33 C ATOM 334 C ARG A 21 -0.409 18.676 -1.829 1.00 11.54 C ATOM 335 O ARG A 21 -0.264 18.361 -3.009 1.00 43.32 O ATOM 336 CB ARG A 21 -0.331 21.160 -1.539 1.00 30.12 C ATOM 337 CG ARG A 21 -1.092 22.418 -1.926 1.00 21.45 C ATOM 338 CD ARG A 21 -0.658 22.934 -3.288 1.00 51.23 C ATOM 339 NE ARG A 21 -1.338 22.240 -4.379 1.00 10.13 N ATOM 340 CZ ARG A 21 -1.355 22.680 -5.632 1.00 74.30 C ATOM 341 NH1 ARG A 21 -0.733 23.806 -5.952 1.00 20.12 N ATOM 342 NH2 ARG A 21 -1.996 21.992 -6.569 1.00 1.02 N ATOM 0 H ARG A 21 -1.472 20.518 0.548 1.00 74.33 H new ATOM 0 HA ARG A 21 -2.049 20.014 -2.137 1.00 40.33 H new ATOM 0 HB2 ARG A 21 0.159 21.323 -0.579 1.00 30.12 H new ATOM 0 HB3 ARG A 21 0.456 20.982 -2.272 1.00 30.12 H new ATOM 0 HG2 ARG A 21 -2.162 22.208 -1.939 1.00 21.45 H new ATOM 0 HG3 ARG A 21 -0.928 23.190 -1.174 1.00 21.45 H new ATOM 0 HD2 ARG A 21 -0.865 24.002 -3.353 1.00 51.23 H new ATOM 0 HD3 ARG A 21 0.420 22.811 -3.396 1.00 51.23 H new ATOM 0 HE ARG A 21 -1.826 21.370 -4.167 1.00 10.13 H new ATOM 0 HH11 ARG A 21 -0.239 24.337 -5.235 1.00 20.12 H new ATOM 0 HH12 ARG A 21 -0.748 24.141 -6.915 1.00 20.12 H new ATOM 0 HH21 ARG A 21 -2.476 21.125 -6.327 1.00 1.02 H new ATOM 0 HH22 ARG A 21 -2.009 22.330 -7.531 1.00 1.02 H new ATOM 356 N ALA A 22 0.112 17.979 -0.824 1.00 52.41 N ATOM 357 CA ALA A 22 0.900 16.776 -1.057 1.00 63.05 C ATOM 358 C ALA A 22 0.010 15.540 -1.120 1.00 32.33 C ATOM 359 O ALA A 22 -0.008 14.825 -2.123 1.00 35.23 O ATOM 360 CB ALA A 22 1.953 16.616 0.029 1.00 45.10 C ATOM 0 H ALA A 22 0.002 18.227 0.159 1.00 52.41 H new ATOM 0 HA ALA A 22 1.400 16.880 -2.020 1.00 63.05 H new ATOM 0 HB1 ALA A 22 2.534 15.713 -0.158 1.00 45.10 H new ATOM 0 HB2 ALA A 22 2.616 17.482 0.024 1.00 45.10 H new ATOM 0 HB3 ALA A 22 1.465 16.539 1.001 1.00 45.10 H new ATOM 366 N LEU A 23 -0.727 15.292 -0.042 1.00 50.34 N ATOM 367 CA LEU A 23 -1.620 14.141 0.026 1.00 72.12 C ATOM 368 C LEU A 23 -2.666 14.196 -1.083 1.00 42.43 C ATOM 369 O LEU A 23 -2.757 13.290 -1.910 1.00 64.33 O ATOM 370 CB LEU A 23 -2.310 14.086 1.390 1.00 22.41 C ATOM 371 CG LEU A 23 -1.425 14.380 2.602 1.00 62.21 C ATOM 372 CD1 LEU A 23 -2.210 14.200 3.892 1.00 5.11 C ATOM 373 CD2 LEU A 23 -0.195 13.484 2.594 1.00 21.32 C ATOM 0 H LEU A 23 -0.723 15.873 0.796 1.00 50.34 H new ATOM 0 HA LEU A 23 -1.021 13.240 -0.109 1.00 72.12 H new ATOM 0 HB2 LEU A 23 -3.135 14.798 1.386 1.00 22.41 H new ATOM 0 HB3 LEU A 23 -2.745 13.095 1.515 1.00 22.41 H new ATOM 0 HG LEU A 23 -1.094 15.417 2.544 1.00 62.21 H new ATOM 0 HD11 LEU A 23 -1.564 14.413 4.744 1.00 5.11 H new ATOM 0 HD12 LEU A 23 -3.059 14.884 3.900 1.00 5.11 H new ATOM 0 HD13 LEU A 23 -2.571 13.173 3.958 1.00 5.11 H new ATOM 0 HD21 LEU A 23 0.423 13.707 3.464 1.00 21.32 H new ATOM 0 HD22 LEU A 23 -0.505 12.440 2.628 1.00 21.32 H new ATOM 0 HD23 LEU A 23 0.379 13.663 1.685 1.00 21.32 H new ATOM 385 N ALA A 24 -3.452 15.268 -1.095 1.00 61.03 N ATOM 386 CA ALA A 24 -4.488 15.444 -2.105 1.00 71.02 C ATOM 387 C ALA A 24 -3.904 15.359 -3.511 1.00 52.54 C ATOM 388 O ALA A 24 -4.611 15.050 -4.470 1.00 24.22 O ATOM 389 CB ALA A 24 -5.199 16.774 -1.906 1.00 1.41 C ATOM 0 H ALA A 24 -3.391 16.027 -0.417 1.00 61.03 H new ATOM 0 HA ALA A 24 -5.212 14.637 -1.991 1.00 71.02 H new ATOM 0 HB1 ALA A 24 -5.970 16.892 -2.667 1.00 1.41 H new ATOM 0 HB2 ALA A 24 -5.658 16.797 -0.918 1.00 1.41 H new ATOM 0 HB3 ALA A 24 -4.479 17.588 -1.990 1.00 1.41 H new ATOM 395 N GLY A 25 -2.609 15.638 -3.627 1.00 72.14 N ATOM 396 CA GLY A 25 -1.953 15.588 -4.921 1.00 3.53 C ATOM 397 C GLY A 25 -1.473 14.195 -5.274 1.00 62.24 C ATOM 398 O GLY A 25 -1.509 13.795 -6.438 1.00 12.23 O ATOM 0 H GLY A 25 -2.003 15.898 -2.849 1.00 72.14 H new ATOM 0 HA2 GLY A 25 -2.644 15.936 -5.689 1.00 3.53 H new ATOM 0 HA3 GLY A 25 -1.105 16.272 -4.921 1.00 3.53 H new ATOM 402 N ALA A 26 -1.020 13.454 -4.269 1.00 30.45 N ATOM 403 CA ALA A 26 -0.531 12.097 -4.479 1.00 70.32 C ATOM 404 C ALA A 26 -1.650 11.076 -4.304 1.00 15.25 C ATOM 405 O ALA A 26 -1.425 9.871 -4.399 1.00 32.52 O ATOM 406 CB ALA A 26 0.615 11.795 -3.526 1.00 24.24 C ATOM 0 H ALA A 26 -0.981 13.771 -3.300 1.00 30.45 H new ATOM 0 HA ALA A 26 -0.166 12.024 -5.503 1.00 70.32 H new ATOM 0 HB1 ALA A 26 0.970 10.778 -3.694 1.00 24.24 H new ATOM 0 HB2 ALA A 26 1.430 12.498 -3.702 1.00 24.24 H new ATOM 0 HB3 ALA A 26 0.268 11.892 -2.497 1.00 24.24 H new ATOM 412 N GLY A 27 -2.859 11.568 -4.045 1.00 44.15 N ATOM 413 CA GLY A 27 -3.995 10.685 -3.860 1.00 20.14 C ATOM 414 C GLY A 27 -4.121 10.195 -2.431 1.00 24.42 C ATOM 415 O GLY A 27 -5.112 9.559 -2.069 1.00 40.14 O ATOM 0 H GLY A 27 -3.071 12.562 -3.960 1.00 44.15 H new ATOM 0 HA2 GLY A 27 -4.908 11.208 -4.143 1.00 20.14 H new ATOM 0 HA3 GLY A 27 -3.898 9.829 -4.527 1.00 20.14 H new ATOM 419 N LEU A 28 -3.114 10.488 -1.616 1.00 5.03 N ATOM 420 CA LEU A 28 -3.114 10.071 -0.218 1.00 13.33 C ATOM 421 C LEU A 28 -4.289 10.689 0.534 1.00 3.51 C ATOM 422 O LEU A 28 -4.674 11.830 0.276 1.00 12.45 O ATOM 423 CB LEU A 28 -1.798 10.468 0.454 1.00 74.21 C ATOM 424 CG LEU A 28 -0.521 10.079 -0.291 1.00 41.51 C ATOM 425 CD1 LEU A 28 0.672 10.845 0.260 1.00 21.21 C ATOM 426 CD2 LEU A 28 -0.284 8.579 -0.197 1.00 41.24 C ATOM 0 H LEU A 28 -2.287 11.013 -1.899 1.00 5.03 H new ATOM 0 HA LEU A 28 -3.217 8.986 -0.188 1.00 13.33 H new ATOM 0 HB2 LEU A 28 -1.797 11.549 0.596 1.00 74.21 H new ATOM 0 HB3 LEU A 28 -1.769 10.016 1.445 1.00 74.21 H new ATOM 0 HG LEU A 28 -0.642 10.342 -1.342 1.00 41.51 H new ATOM 0 HD11 LEU A 28 1.572 10.555 -0.282 1.00 21.21 H new ATOM 0 HD12 LEU A 28 0.504 11.915 0.140 1.00 21.21 H new ATOM 0 HD13 LEU A 28 0.796 10.614 1.318 1.00 21.21 H new ATOM 0 HD21 LEU A 28 0.629 8.321 -0.733 1.00 41.24 H new ATOM 0 HD22 LEU A 28 -0.184 8.291 0.850 1.00 41.24 H new ATOM 0 HD23 LEU A 28 -1.127 8.049 -0.640 1.00 41.24 H new ATOM 438 N THR A 29 -4.853 9.929 1.467 1.00 15.54 N ATOM 439 CA THR A 29 -5.983 10.402 2.258 1.00 41.42 C ATOM 440 C THR A 29 -5.574 11.557 3.165 1.00 51.42 C ATOM 441 O THR A 29 -4.829 11.369 4.127 1.00 0.43 O ATOM 442 CB THR A 29 -6.577 9.273 3.120 1.00 32.12 C ATOM 443 OG1 THR A 29 -7.048 8.212 2.282 1.00 40.15 O ATOM 444 CG2 THR A 29 -7.720 9.792 3.979 1.00 11.24 C ATOM 0 H THR A 29 -4.546 8.983 1.694 1.00 15.54 H new ATOM 0 HA THR A 29 -6.740 10.747 1.553 1.00 41.42 H new ATOM 0 HB THR A 29 -5.792 8.896 3.776 1.00 32.12 H new ATOM 0 HG1 THR A 29 -7.423 7.497 2.838 1.00 40.15 H new ATOM 0 HG21 THR A 29 -8.124 8.976 4.579 1.00 11.24 H new ATOM 0 HG22 THR A 29 -7.352 10.579 4.637 1.00 11.24 H new ATOM 0 HG23 THR A 29 -8.505 10.193 3.337 1.00 11.24 H new ATOM 452 N CYS A 30 -6.066 12.751 2.853 1.00 41.14 N ATOM 453 CA CYS A 30 -5.751 13.938 3.640 1.00 31.44 C ATOM 454 C CYS A 30 -6.757 14.121 4.773 1.00 65.14 C ATOM 455 O CYS A 30 -7.966 14.015 4.567 1.00 32.24 O ATOM 456 CB CYS A 30 -5.738 15.179 2.748 1.00 50.33 C ATOM 457 SG CYS A 30 -5.354 16.714 3.623 1.00 24.12 S ATOM 0 H CYS A 30 -6.685 12.923 2.060 1.00 41.14 H new ATOM 0 HA CYS A 30 -4.761 13.803 4.075 1.00 31.44 H new ATOM 0 HB2 CYS A 30 -5.007 15.034 1.953 1.00 50.33 H new ATOM 0 HB3 CYS A 30 -6.712 15.280 2.270 1.00 50.33 H new ATOM 0 HG CYS A 30 -5.947 17.709 3.034 1.00 24.12 H new ATOM 463 N THR A 31 -6.248 14.395 5.970 1.00 11.50 N ATOM 464 CA THR A 31 -7.101 14.591 7.136 1.00 64.32 C ATOM 465 C THR A 31 -6.546 15.681 8.046 1.00 33.41 C ATOM 466 O THR A 31 -5.350 15.972 8.026 1.00 0.50 O ATOM 467 CB THR A 31 -7.252 13.289 7.946 1.00 44.04 C ATOM 468 OG1 THR A 31 -7.483 12.186 7.062 1.00 41.31 O ATOM 469 CG2 THR A 31 -8.399 13.399 8.938 1.00 11.32 C ATOM 0 H THR A 31 -5.250 14.486 6.158 1.00 11.50 H new ATOM 0 HA THR A 31 -8.080 14.895 6.765 1.00 64.32 H new ATOM 0 HB THR A 31 -6.328 13.123 8.500 1.00 44.04 H new ATOM 0 HG1 THR A 31 -7.186 11.356 7.490 1.00 41.31 H new ATOM 0 HG21 THR A 31 -8.486 12.468 9.498 1.00 11.32 H new ATOM 0 HG22 THR A 31 -8.206 14.221 9.628 1.00 11.32 H new ATOM 0 HG23 THR A 31 -9.328 13.587 8.400 1.00 11.32 H new ATOM 477 N THR A 32 -7.423 16.280 8.845 1.00 11.44 N ATOM 478 CA THR A 32 -7.021 17.339 9.763 1.00 33.22 C ATOM 479 C THR A 32 -7.766 17.229 11.089 1.00 64.10 C ATOM 480 O THR A 32 -8.838 16.628 11.163 1.00 64.14 O ATOM 481 CB THR A 32 -7.275 18.733 9.159 1.00 72.31 C ATOM 482 OG1 THR A 32 -8.566 18.770 8.540 1.00 43.54 O ATOM 483 CG2 THR A 32 -6.205 19.082 8.135 1.00 35.13 C ATOM 0 H THR A 32 -8.416 16.050 8.875 1.00 11.44 H new ATOM 0 HA THR A 32 -5.952 17.216 9.938 1.00 33.22 H new ATOM 0 HB THR A 32 -7.237 19.467 9.964 1.00 72.31 H new ATOM 0 HG1 THR A 32 -8.721 19.660 8.160 1.00 43.54 H new ATOM 0 HG21 THR A 32 -6.405 20.071 7.722 1.00 35.13 H new ATOM 0 HG22 THR A 32 -5.227 19.081 8.616 1.00 35.13 H new ATOM 0 HG23 THR A 32 -6.215 18.345 7.332 1.00 35.13 H new ATOM 491 N PHE A 33 -7.191 17.813 12.135 1.00 50.50 N ATOM 492 CA PHE A 33 -7.801 17.781 13.459 1.00 24.23 C ATOM 493 C PHE A 33 -7.444 19.034 14.253 1.00 2.03 C ATOM 494 O PHE A 33 -8.253 19.539 15.031 1.00 42.55 O ATOM 495 CB PHE A 33 -7.348 16.534 14.222 1.00 44.01 C ATOM 496 CG PHE A 33 -7.564 15.256 13.463 1.00 24.22 C ATOM 497 CD1 PHE A 33 -6.616 14.802 12.560 1.00 23.25 C ATOM 498 CD2 PHE A 33 -8.715 14.509 13.653 1.00 60.45 C ATOM 499 CE1 PHE A 33 -6.811 13.626 11.861 1.00 71.20 C ATOM 500 CE2 PHE A 33 -8.916 13.332 12.956 1.00 23.33 C ATOM 501 CZ PHE A 33 -7.963 12.890 12.058 1.00 13.45 C ATOM 0 H PHE A 33 -6.304 18.314 12.091 1.00 50.50 H new ATOM 0 HA PHE A 33 -8.883 17.749 13.332 1.00 24.23 H new ATOM 0 HB2 PHE A 33 -6.289 16.630 14.463 1.00 44.01 H new ATOM 0 HB3 PHE A 33 -7.887 16.481 15.168 1.00 44.01 H new ATOM 0 HD1 PHE A 33 -5.714 15.374 12.401 1.00 23.25 H new ATOM 0 HD2 PHE A 33 -9.463 14.850 14.353 1.00 60.45 H new ATOM 0 HE1 PHE A 33 -6.063 13.283 11.161 1.00 71.20 H new ATOM 0 HE2 PHE A 33 -9.817 12.758 13.113 1.00 23.33 H new ATOM 0 HZ PHE A 33 -8.119 11.971 11.512 1.00 13.45 H new ATOM 511 N GLU A 34 -6.227 19.529 14.051 1.00 25.35 N ATOM 512 CA GLU A 34 -5.762 20.722 14.750 1.00 71.34 C ATOM 513 C GLU A 34 -5.364 20.392 16.185 1.00 20.43 C ATOM 514 O GLU A 34 -4.229 20.630 16.596 1.00 32.01 O ATOM 515 CB GLU A 34 -6.850 21.798 14.745 1.00 4.20 C ATOM 516 CG GLU A 34 -6.303 23.215 14.683 1.00 75.32 C ATOM 517 CD GLU A 34 -6.625 24.019 15.927 1.00 11.14 C ATOM 518 OE1 GLU A 34 -7.794 24.429 16.084 1.00 40.21 O ATOM 519 OE2 GLU A 34 -5.707 24.238 16.745 1.00 2.01 O ATOM 0 H GLU A 34 -5.546 19.123 13.410 1.00 25.35 H new ATOM 0 HA GLU A 34 -4.884 21.100 14.226 1.00 71.34 H new ATOM 0 HB2 GLU A 34 -7.508 21.634 13.892 1.00 4.20 H new ATOM 0 HB3 GLU A 34 -7.459 21.691 15.643 1.00 4.20 H new ATOM 0 HG2 GLU A 34 -5.222 23.178 14.549 1.00 75.32 H new ATOM 0 HG3 GLU A 34 -6.715 23.722 13.810 1.00 75.32 H new ATOM 526 N ASN A 35 -6.307 19.842 16.943 1.00 33.22 N ATOM 527 CA ASN A 35 -6.056 19.480 18.333 1.00 31.34 C ATOM 528 C ASN A 35 -6.232 17.979 18.545 1.00 41.11 C ATOM 529 O ASN A 35 -7.137 17.364 17.983 1.00 41.04 O ATOM 530 CB ASN A 35 -6.998 20.251 19.261 1.00 24.40 C ATOM 531 CG ASN A 35 -8.378 20.435 18.661 1.00 60.43 C ATOM 532 OD1 ASN A 35 -9.166 19.492 18.588 1.00 70.43 O ATOM 533 ND2 ASN A 35 -8.677 21.654 18.227 1.00 23.32 N ATOM 0 H ASN A 35 -7.252 19.637 16.618 1.00 33.22 H new ATOM 0 HA ASN A 35 -5.026 19.744 18.570 1.00 31.34 H new ATOM 0 HB2 ASN A 35 -7.085 19.720 20.209 1.00 24.40 H new ATOM 0 HB3 ASN A 35 -6.567 21.228 19.481 1.00 24.40 H new ATOM 0 HD21 ASN A 35 -9.591 21.838 17.813 1.00 23.32 H new ATOM 0 HD22 ASN A 35 -7.993 22.406 18.308 1.00 23.32 H new ATOM 540 N GLY A 36 -5.359 17.396 19.361 1.00 33.42 N ATOM 541 CA GLY A 36 -5.435 15.972 19.633 1.00 13.13 C ATOM 542 C GLY A 36 -6.832 15.530 20.024 1.00 44.22 C ATOM 543 O GLY A 36 -7.221 14.390 19.776 1.00 51.04 O ATOM 0 H GLY A 36 -4.601 17.884 19.838 1.00 33.42 H new ATOM 0 HA2 GLY A 36 -5.116 15.419 18.749 1.00 13.13 H new ATOM 0 HA3 GLY A 36 -4.740 15.721 20.434 1.00 13.13 H new ATOM 547 N ASN A 37 -7.587 16.435 20.639 1.00 63.13 N ATOM 548 CA ASN A 37 -8.947 16.131 21.067 1.00 54.23 C ATOM 549 C ASN A 37 -9.760 15.540 19.919 1.00 65.43 C ATOM 550 O ASN A 37 -10.476 14.555 20.096 1.00 51.12 O ATOM 551 CB ASN A 37 -9.632 17.394 21.593 1.00 34.02 C ATOM 552 CG ASN A 37 -11.142 17.255 21.643 1.00 23.23 C ATOM 553 OD1 ASN A 37 -11.680 16.497 22.450 1.00 22.42 O ATOM 554 ND2 ASN A 37 -11.832 17.988 20.778 1.00 14.43 N ATOM 0 H ASN A 37 -7.280 17.384 20.852 1.00 63.13 H new ATOM 0 HA ASN A 37 -8.893 15.394 21.868 1.00 54.23 H new ATOM 0 HB2 ASN A 37 -9.257 17.618 22.592 1.00 34.02 H new ATOM 0 HB3 ASN A 37 -9.369 18.239 20.957 1.00 34.02 H new ATOM 0 HD21 ASN A 37 -12.851 17.936 20.764 1.00 14.43 H new ATOM 0 HD22 ASN A 37 -11.344 18.603 20.127 1.00 14.43 H new ATOM 561 N GLU A 38 -9.641 16.147 18.742 1.00 1.33 N ATOM 562 CA GLU A 38 -10.364 15.680 17.566 1.00 55.24 C ATOM 563 C GLU A 38 -9.837 14.324 17.106 1.00 75.13 C ATOM 564 O GLU A 38 -10.610 13.407 16.828 1.00 33.42 O ATOM 565 CB GLU A 38 -10.246 16.698 16.429 1.00 24.11 C ATOM 566 CG GLU A 38 -11.253 17.832 16.520 1.00 71.34 C ATOM 567 CD GLU A 38 -12.496 17.575 15.690 1.00 51.22 C ATOM 568 OE1 GLU A 38 -13.431 16.927 16.205 1.00 42.31 O ATOM 569 OE2 GLU A 38 -12.534 18.023 14.525 1.00 45.44 O ATOM 0 H GLU A 38 -9.051 16.963 18.578 1.00 1.33 H new ATOM 0 HA GLU A 38 -11.414 15.569 17.837 1.00 55.24 H new ATOM 0 HB2 GLU A 38 -9.239 17.116 16.430 1.00 24.11 H new ATOM 0 HB3 GLU A 38 -10.376 16.183 15.477 1.00 24.11 H new ATOM 0 HG2 GLU A 38 -11.539 17.976 17.562 1.00 71.34 H new ATOM 0 HG3 GLU A 38 -10.783 18.758 16.188 1.00 71.34 H new ATOM 576 N VAL A 39 -8.516 14.205 17.027 1.00 61.12 N ATOM 577 CA VAL A 39 -7.884 12.962 16.601 1.00 33.42 C ATOM 578 C VAL A 39 -8.415 11.775 17.397 1.00 34.13 C ATOM 579 O VAL A 39 -8.472 10.652 16.895 1.00 32.41 O ATOM 580 CB VAL A 39 -6.353 13.027 16.758 1.00 15.33 C ATOM 581 CG1 VAL A 39 -5.754 11.630 16.735 1.00 63.32 C ATOM 582 CG2 VAL A 39 -5.743 13.897 15.669 1.00 34.32 C ATOM 0 H VAL A 39 -7.862 14.955 17.253 1.00 61.12 H new ATOM 0 HA VAL A 39 -8.128 12.828 15.547 1.00 33.42 H new ATOM 0 HB VAL A 39 -6.122 13.478 17.723 1.00 15.33 H new ATOM 0 HG11 VAL A 39 -4.672 11.696 16.847 1.00 63.32 H new ATOM 0 HG12 VAL A 39 -6.168 11.043 17.554 1.00 63.32 H new ATOM 0 HG13 VAL A 39 -5.992 11.148 15.787 1.00 63.32 H new ATOM 0 HG21 VAL A 39 -4.661 13.932 15.795 1.00 34.32 H new ATOM 0 HG22 VAL A 39 -5.981 13.477 14.692 1.00 34.32 H new ATOM 0 HG23 VAL A 39 -6.149 14.906 15.739 1.00 34.32 H new ATOM 592 N LEU A 40 -8.804 12.031 18.642 1.00 72.25 N ATOM 593 CA LEU A 40 -9.332 10.983 19.509 1.00 52.32 C ATOM 594 C LEU A 40 -10.621 10.401 18.937 1.00 62.01 C ATOM 595 O LEU A 40 -10.709 9.202 18.676 1.00 34.43 O ATOM 596 CB LEU A 40 -9.588 11.536 20.912 1.00 42.40 C ATOM 597 CG LEU A 40 -9.218 10.614 22.074 1.00 3.54 C ATOM 598 CD1 LEU A 40 -9.771 9.217 21.844 1.00 34.24 C ATOM 599 CD2 LEU A 40 -7.708 10.568 22.259 1.00 41.42 C ATOM 0 H LEU A 40 -8.764 12.955 19.073 1.00 72.25 H new ATOM 0 HA LEU A 40 -8.590 10.187 19.568 1.00 52.32 H new ATOM 0 HB2 LEU A 40 -9.031 12.467 21.021 1.00 42.40 H new ATOM 0 HB3 LEU A 40 -10.646 11.786 20.995 1.00 42.40 H new ATOM 0 HG LEU A 40 -9.664 11.013 22.985 1.00 3.54 H new ATOM 0 HD11 LEU A 40 -9.498 8.575 22.681 1.00 34.24 H new ATOM 0 HD12 LEU A 40 -10.857 9.264 21.763 1.00 34.24 H new ATOM 0 HD13 LEU A 40 -9.356 8.808 20.923 1.00 34.24 H new ATOM 0 HD21 LEU A 40 -7.463 9.907 23.090 1.00 41.42 H new ATOM 0 HD22 LEU A 40 -7.241 10.194 21.348 1.00 41.42 H new ATOM 0 HD23 LEU A 40 -7.337 11.571 22.471 1.00 41.42 H new ATOM 611 N ALA A 41 -11.617 11.259 18.742 1.00 3.24 N ATOM 612 CA ALA A 41 -12.899 10.831 18.197 1.00 22.23 C ATOM 613 C ALA A 41 -12.706 9.948 16.969 1.00 43.43 C ATOM 614 O ALA A 41 -13.478 9.020 16.732 1.00 54.43 O ATOM 615 CB ALA A 41 -13.756 12.040 17.852 1.00 61.41 C ATOM 0 H ALA A 41 -11.560 12.255 18.954 1.00 3.24 H new ATOM 0 HA ALA A 41 -13.411 10.242 18.958 1.00 22.23 H new ATOM 0 HB1 ALA A 41 -14.711 11.705 17.446 1.00 61.41 H new ATOM 0 HB2 ALA A 41 -13.931 12.630 18.751 1.00 61.41 H new ATOM 0 HB3 ALA A 41 -13.241 12.652 17.111 1.00 61.41 H new ATOM 621 N ALA A 42 -11.670 10.245 16.190 1.00 32.40 N ATOM 622 CA ALA A 42 -11.375 9.477 14.986 1.00 13.14 C ATOM 623 C ALA A 42 -10.568 8.226 15.317 1.00 15.11 C ATOM 624 O ALA A 42 -10.797 7.159 14.746 1.00 21.44 O ATOM 625 CB ALA A 42 -10.627 10.340 13.981 1.00 72.53 C ATOM 0 H ALA A 42 -11.022 11.011 16.371 1.00 32.40 H new ATOM 0 HA ALA A 42 -12.320 9.161 14.545 1.00 13.14 H new ATOM 0 HB1 ALA A 42 -10.413 9.755 13.087 1.00 72.53 H new ATOM 0 HB2 ALA A 42 -11.240 11.201 13.713 1.00 72.53 H new ATOM 0 HB3 ALA A 42 -9.691 10.684 14.422 1.00 72.53 H new ATOM 631 N LEU A 43 -9.624 8.364 16.241 1.00 41.12 N ATOM 632 CA LEU A 43 -8.782 7.244 16.647 1.00 3.43 C ATOM 633 C LEU A 43 -9.630 6.034 17.024 1.00 62.34 C ATOM 634 O LEU A 43 -9.410 4.930 16.525 1.00 2.32 O ATOM 635 CB LEU A 43 -7.897 7.648 17.828 1.00 41.41 C ATOM 636 CG LEU A 43 -6.577 8.335 17.474 1.00 74.13 C ATOM 637 CD1 LEU A 43 -5.920 8.905 18.721 1.00 33.53 C ATOM 638 CD2 LEU A 43 -5.641 7.361 16.773 1.00 51.54 C ATOM 0 H LEU A 43 -9.422 9.240 16.723 1.00 41.12 H new ATOM 0 HA LEU A 43 -8.149 6.972 15.802 1.00 3.43 H new ATOM 0 HB2 LEU A 43 -8.469 8.315 18.473 1.00 41.41 H new ATOM 0 HB3 LEU A 43 -7.674 6.755 18.411 1.00 41.41 H new ATOM 0 HG LEU A 43 -6.789 9.159 16.792 1.00 74.13 H new ATOM 0 HD11 LEU A 43 -4.982 9.390 18.449 1.00 33.53 H new ATOM 0 HD12 LEU A 43 -6.586 9.635 19.182 1.00 33.53 H new ATOM 0 HD13 LEU A 43 -5.720 8.099 19.428 1.00 33.53 H new ATOM 0 HD21 LEU A 43 -4.707 7.866 16.528 1.00 51.54 H new ATOM 0 HD22 LEU A 43 -5.435 6.517 17.431 1.00 51.54 H new ATOM 0 HD23 LEU A 43 -6.110 7.001 15.857 1.00 51.54 H new ATOM 650 N ALA A 44 -10.601 6.249 17.905 1.00 52.03 N ATOM 651 CA ALA A 44 -11.485 5.177 18.344 1.00 32.33 C ATOM 652 C ALA A 44 -12.154 4.494 17.156 1.00 42.32 C ATOM 653 O ALA A 44 -12.293 3.272 17.128 1.00 71.45 O ATOM 654 CB ALA A 44 -12.535 5.718 19.304 1.00 61.03 C ATOM 0 H ALA A 44 -10.795 7.156 18.329 1.00 52.03 H new ATOM 0 HA ALA A 44 -10.881 4.433 18.864 1.00 32.33 H new ATOM 0 HB1 ALA A 44 -13.188 4.906 19.624 1.00 61.03 H new ATOM 0 HB2 ALA A 44 -12.043 6.152 20.174 1.00 61.03 H new ATOM 0 HB3 ALA A 44 -13.127 6.484 18.802 1.00 61.03 H new ATOM 660 N SER A 45 -12.567 5.293 16.176 1.00 24.53 N ATOM 661 CA SER A 45 -13.225 4.765 14.987 1.00 50.32 C ATOM 662 C SER A 45 -12.239 3.990 14.118 1.00 3.43 C ATOM 663 O SER A 45 -12.534 2.889 13.655 1.00 65.42 O ATOM 664 CB SER A 45 -13.850 5.903 14.177 1.00 11.35 C ATOM 665 OG SER A 45 -15.206 5.628 13.874 1.00 75.34 O ATOM 0 H SER A 45 -12.457 6.307 16.183 1.00 24.53 H new ATOM 0 HA SER A 45 -14.011 4.083 15.310 1.00 50.32 H new ATOM 0 HB2 SER A 45 -13.781 6.834 14.739 1.00 11.35 H new ATOM 0 HB3 SER A 45 -13.290 6.047 13.253 1.00 11.35 H new ATOM 0 HG SER A 45 -15.583 6.371 13.358 1.00 75.34 H new ATOM 671 N LYS A 46 -11.065 4.575 13.902 1.00 72.34 N ATOM 672 CA LYS A 46 -10.033 3.941 13.090 1.00 3.02 C ATOM 673 C LYS A 46 -8.650 4.464 13.464 1.00 5.01 C ATOM 674 O LYS A 46 -8.520 5.519 14.086 1.00 30.14 O ATOM 675 CB LYS A 46 -10.299 4.190 11.604 1.00 60.32 C ATOM 676 CG LYS A 46 -10.385 2.917 10.780 1.00 65.41 C ATOM 677 CD LYS A 46 -9.536 3.008 9.523 1.00 63.11 C ATOM 678 CE LYS A 46 -8.051 3.008 9.852 1.00 43.11 C ATOM 679 NZ LYS A 46 -7.233 2.478 8.726 1.00 71.11 N ATOM 0 H LYS A 46 -10.805 5.487 14.278 1.00 72.34 H new ATOM 0 HA LYS A 46 -10.062 2.869 13.283 1.00 3.02 H new ATOM 0 HB2 LYS A 46 -11.231 4.745 11.498 1.00 60.32 H new ATOM 0 HB3 LYS A 46 -9.506 4.820 11.202 1.00 60.32 H new ATOM 0 HG2 LYS A 46 -10.056 2.070 11.382 1.00 65.41 H new ATOM 0 HG3 LYS A 46 -11.423 2.729 10.506 1.00 65.41 H new ATOM 0 HD2 LYS A 46 -9.764 2.168 8.867 1.00 63.11 H new ATOM 0 HD3 LYS A 46 -9.789 3.917 8.977 1.00 63.11 H new ATOM 0 HE2 LYS A 46 -7.731 4.023 10.087 1.00 43.11 H new ATOM 0 HE3 LYS A 46 -7.876 2.405 10.743 1.00 43.11 H new ATOM 0 HZ1 LYS A 46 -6.279 2.890 8.766 1.00 71.11 H new ATOM 0 HZ2 LYS A 46 -7.166 1.443 8.803 1.00 71.11 H new ATOM 0 HZ3 LYS A 46 -7.682 2.730 7.822 1.00 71.11 H new ATOM 693 N THR A 47 -7.617 3.721 13.080 1.00 64.54 N ATOM 694 CA THR A 47 -6.243 4.109 13.374 1.00 13.41 C ATOM 695 C THR A 47 -5.492 4.482 12.101 1.00 72.31 C ATOM 696 O THR A 47 -5.555 3.785 11.088 1.00 71.20 O ATOM 697 CB THR A 47 -5.482 2.980 14.094 1.00 1.42 C ATOM 698 OG1 THR A 47 -5.123 1.957 13.159 1.00 42.52 O ATOM 699 CG2 THR A 47 -6.328 2.382 15.208 1.00 62.01 C ATOM 0 H THR A 47 -7.706 2.846 12.564 1.00 64.54 H new ATOM 0 HA THR A 47 -6.294 4.978 14.030 1.00 13.41 H new ATOM 0 HB THR A 47 -4.579 3.403 14.533 1.00 1.42 H new ATOM 0 HG1 THR A 47 -4.638 1.244 13.625 1.00 42.52 H new ATOM 0 HG21 THR A 47 -5.770 1.587 15.702 1.00 62.01 H new ATOM 0 HG22 THR A 47 -6.575 3.157 15.934 1.00 62.01 H new ATOM 0 HG23 THR A 47 -7.247 1.973 14.788 1.00 62.01 H new ATOM 707 N PRO A 48 -4.763 5.606 12.151 1.00 40.44 N ATOM 708 CA PRO A 48 -3.984 6.096 11.009 1.00 32.12 C ATOM 709 C PRO A 48 -2.779 5.212 10.707 1.00 32.55 C ATOM 710 O PRO A 48 -2.444 4.317 11.484 1.00 2.00 O ATOM 711 CB PRO A 48 -3.528 7.485 11.461 1.00 41.50 C ATOM 712 CG PRO A 48 -3.522 7.417 12.949 1.00 14.11 C ATOM 713 CD PRO A 48 -4.642 6.486 13.325 1.00 10.41 C ATOM 0 HA PRO A 48 -4.569 6.102 10.089 1.00 32.12 H new ATOM 0 HB2 PRO A 48 -2.538 7.723 11.072 1.00 41.50 H new ATOM 0 HB3 PRO A 48 -4.206 8.260 11.103 1.00 41.50 H new ATOM 0 HG2 PRO A 48 -2.566 7.047 13.319 1.00 14.11 H new ATOM 0 HG3 PRO A 48 -3.672 8.404 13.386 1.00 14.11 H new ATOM 0 HD2 PRO A 48 -4.409 5.922 14.228 1.00 10.41 H new ATOM 0 HD3 PRO A 48 -5.568 7.028 13.518 1.00 10.41 H new ATOM 721 N ASP A 49 -2.132 5.468 9.576 1.00 70.50 N ATOM 722 CA ASP A 49 -0.963 4.695 9.172 1.00 3.25 C ATOM 723 C ASP A 49 0.322 5.369 9.644 1.00 64.24 C ATOM 724 O ASP A 49 1.249 4.705 10.108 1.00 4.11 O ATOM 725 CB ASP A 49 -0.937 4.526 7.653 1.00 64.53 C ATOM 726 CG ASP A 49 -1.108 3.080 7.228 1.00 4.15 C ATOM 727 OD1 ASP A 49 -0.538 2.194 7.899 1.00 43.22 O ATOM 728 OD2 ASP A 49 -1.811 2.835 6.226 1.00 64.14 O ATOM 0 H ASP A 49 -2.397 6.205 8.922 1.00 70.50 H new ATOM 0 HA ASP A 49 -1.029 3.712 9.637 1.00 3.25 H new ATOM 0 HB2 ASP A 49 -1.730 5.128 7.210 1.00 64.53 H new ATOM 0 HB3 ASP A 49 0.007 4.907 7.264 1.00 64.53 H new ATOM 733 N VAL A 50 0.371 6.691 9.520 1.00 42.43 N ATOM 734 CA VAL A 50 1.542 7.455 9.933 1.00 44.33 C ATOM 735 C VAL A 50 1.154 8.863 10.369 1.00 1.44 C ATOM 736 O VAL A 50 1.224 9.810 9.585 1.00 42.34 O ATOM 737 CB VAL A 50 2.580 7.549 8.798 1.00 11.22 C ATOM 738 CG1 VAL A 50 3.740 8.443 9.208 1.00 1.51 C ATOM 739 CG2 VAL A 50 3.074 6.163 8.413 1.00 5.20 C ATOM 0 H VAL A 50 -0.387 7.256 9.137 1.00 42.43 H new ATOM 0 HA VAL A 50 1.984 6.925 10.777 1.00 44.33 H new ATOM 0 HB VAL A 50 2.101 7.994 7.926 1.00 11.22 H new ATOM 0 HG11 VAL A 50 4.463 8.497 8.394 1.00 1.51 H new ATOM 0 HG12 VAL A 50 3.368 9.443 9.430 1.00 1.51 H new ATOM 0 HG13 VAL A 50 4.222 8.030 10.094 1.00 1.51 H new ATOM 0 HG21 VAL A 50 3.806 6.248 7.610 1.00 5.20 H new ATOM 0 HG22 VAL A 50 3.537 5.689 9.278 1.00 5.20 H new ATOM 0 HG23 VAL A 50 2.233 5.558 8.074 1.00 5.20 H new ATOM 749 N LEU A 51 0.745 8.995 11.626 1.00 12.22 N ATOM 750 CA LEU A 51 0.345 10.289 12.169 1.00 23.01 C ATOM 751 C LEU A 51 1.550 11.042 12.725 1.00 32.53 C ATOM 752 O LEU A 51 2.488 10.436 13.245 1.00 61.20 O ATOM 753 CB LEU A 51 -0.704 10.102 13.266 1.00 74.20 C ATOM 754 CG LEU A 51 -1.154 11.372 13.989 1.00 5.10 C ATOM 755 CD1 LEU A 51 -2.599 11.245 14.444 1.00 72.25 C ATOM 756 CD2 LEU A 51 -0.244 11.661 15.174 1.00 45.31 C ATOM 0 H LEU A 51 0.682 8.222 12.289 1.00 12.22 H new ATOM 0 HA LEU A 51 -0.086 10.877 11.359 1.00 23.01 H new ATOM 0 HB2 LEU A 51 -1.581 9.629 12.825 1.00 74.20 H new ATOM 0 HB3 LEU A 51 -0.306 9.408 14.007 1.00 74.20 H new ATOM 0 HG LEU A 51 -1.087 12.207 13.291 1.00 5.10 H new ATOM 0 HD11 LEU A 51 -2.901 12.159 14.956 1.00 72.25 H new ATOM 0 HD12 LEU A 51 -3.241 11.086 13.577 1.00 72.25 H new ATOM 0 HD13 LEU A 51 -2.693 10.399 15.125 1.00 72.25 H new ATOM 0 HD21 LEU A 51 -0.579 12.568 15.677 1.00 45.31 H new ATOM 0 HD22 LEU A 51 -0.279 10.825 15.872 1.00 45.31 H new ATOM 0 HD23 LEU A 51 0.779 11.797 14.823 1.00 45.31 H new ATOM 768 N LEU A 52 1.517 12.365 12.615 1.00 75.12 N ATOM 769 CA LEU A 52 2.605 13.202 13.109 1.00 73.42 C ATOM 770 C LEU A 52 2.220 13.876 14.422 1.00 50.24 C ATOM 771 O LEU A 52 1.715 14.999 14.430 1.00 64.05 O ATOM 772 CB LEU A 52 2.974 14.260 12.068 1.00 71.45 C ATOM 773 CG LEU A 52 3.501 13.732 10.733 1.00 45.23 C ATOM 774 CD1 LEU A 52 2.355 13.496 9.762 1.00 42.04 C ATOM 775 CD2 LEU A 52 4.515 14.701 10.140 1.00 75.54 C ATOM 0 H LEU A 52 0.748 12.882 12.188 1.00 75.12 H new ATOM 0 HA LEU A 52 3.469 12.563 13.290 1.00 73.42 H new ATOM 0 HB2 LEU A 52 2.093 14.871 11.872 1.00 71.45 H new ATOM 0 HB3 LEU A 52 3.729 14.918 12.499 1.00 71.45 H new ATOM 0 HG LEU A 52 4.000 12.779 10.912 1.00 45.23 H new ATOM 0 HD11 LEU A 52 2.750 13.120 8.818 1.00 42.04 H new ATOM 0 HD12 LEU A 52 1.666 12.765 10.184 1.00 42.04 H new ATOM 0 HD13 LEU A 52 1.827 14.434 9.587 1.00 42.04 H new ATOM 0 HD21 LEU A 52 4.880 14.310 9.190 1.00 75.54 H new ATOM 0 HD22 LEU A 52 4.041 15.669 9.976 1.00 75.54 H new ATOM 0 HD23 LEU A 52 5.351 14.819 10.829 1.00 75.54 H new ATOM 787 N SER A 53 2.464 13.184 15.530 1.00 13.51 N ATOM 788 CA SER A 53 2.141 13.716 16.849 1.00 24.02 C ATOM 789 C SER A 53 2.729 15.112 17.031 1.00 55.45 C ATOM 790 O SER A 53 3.722 15.468 16.395 1.00 35.43 O ATOM 791 CB SER A 53 2.669 12.783 17.941 1.00 33.01 C ATOM 792 OG SER A 53 2.883 13.486 19.153 1.00 65.14 O ATOM 0 H SER A 53 2.884 12.255 15.541 1.00 13.51 H new ATOM 0 HA SER A 53 1.056 13.784 16.930 1.00 24.02 H new ATOM 0 HB2 SER A 53 1.958 11.974 18.107 1.00 33.01 H new ATOM 0 HB3 SER A 53 3.602 12.325 17.613 1.00 33.01 H new ATOM 0 HG SER A 53 3.219 12.867 19.835 1.00 65.14 H new ATOM 798 N ASP A 54 2.107 15.900 17.902 1.00 63.23 N ATOM 799 CA ASP A 54 2.568 17.258 18.169 1.00 74.53 C ATOM 800 C ASP A 54 2.494 17.573 19.659 1.00 31.04 C ATOM 801 O ASP A 54 1.415 17.566 20.252 1.00 13.25 O ATOM 802 CB ASP A 54 1.732 18.267 17.379 1.00 22.43 C ATOM 803 CG ASP A 54 2.283 19.676 17.476 1.00 62.45 C ATOM 804 OD1 ASP A 54 3.366 19.929 16.908 1.00 22.30 O ATOM 805 OD2 ASP A 54 1.632 20.525 18.119 1.00 11.22 O ATOM 0 H ASP A 54 1.283 15.622 18.435 1.00 63.23 H new ATOM 0 HA ASP A 54 3.608 17.332 17.852 1.00 74.53 H new ATOM 0 HB2 ASP A 54 1.697 17.965 16.332 1.00 22.43 H new ATOM 0 HB3 ASP A 54 0.707 18.254 17.749 1.00 22.43 H new ATOM 810 N ILE A 55 3.648 17.848 20.259 1.00 74.35 N ATOM 811 CA ILE A 55 3.713 18.165 21.680 1.00 41.44 C ATOM 812 C ILE A 55 4.102 19.624 21.900 1.00 73.55 C ATOM 813 O ILE A 55 5.048 19.921 22.628 1.00 1.24 O ATOM 814 CB ILE A 55 4.721 17.261 22.413 1.00 44.13 C ATOM 815 CG1 ILE A 55 6.039 17.197 21.638 1.00 61.52 C ATOM 816 CG2 ILE A 55 4.143 15.867 22.601 1.00 34.32 C ATOM 817 CD1 ILE A 55 6.085 16.083 20.615 1.00 12.00 C ATOM 0 H ILE A 55 4.550 17.858 19.783 1.00 74.35 H new ATOM 0 HA ILE A 55 2.718 17.991 22.088 1.00 41.44 H new ATOM 0 HB ILE A 55 4.920 17.686 23.397 1.00 44.13 H new ATOM 0 HG12 ILE A 55 6.201 18.150 21.134 1.00 61.52 H new ATOM 0 HG13 ILE A 55 6.860 17.066 22.343 1.00 61.52 H new ATOM 0 HG21 ILE A 55 4.867 15.240 23.121 1.00 34.32 H new ATOM 0 HG22 ILE A 55 3.228 15.929 23.190 1.00 34.32 H new ATOM 0 HG23 ILE A 55 3.919 15.432 21.627 1.00 34.32 H new ATOM 0 HD11 ILE A 55 7.048 16.098 20.104 1.00 12.00 H new ATOM 0 HD12 ILE A 55 5.955 15.124 21.116 1.00 12.00 H new ATOM 0 HD13 ILE A 55 5.286 16.224 19.887 1.00 12.00 H new ATOM 829 N ARG A 56 3.363 20.529 21.266 1.00 64.12 N ATOM 830 CA ARG A 56 3.630 21.957 21.393 1.00 62.44 C ATOM 831 C ARG A 56 2.560 22.775 20.676 1.00 2.32 C ATOM 832 O ARG A 56 2.834 23.426 19.668 1.00 31.30 O ATOM 833 CB ARG A 56 5.010 22.292 20.824 1.00 61.23 C ATOM 834 CG ARG A 56 5.424 23.738 21.042 1.00 21.11 C ATOM 835 CD ARG A 56 6.597 24.122 20.154 1.00 60.23 C ATOM 836 NE ARG A 56 6.158 24.644 18.863 1.00 53.14 N ATOM 837 CZ ARG A 56 5.633 25.854 18.699 1.00 22.50 C ATOM 838 NH1 ARG A 56 5.484 26.661 19.740 1.00 50.33 N ATOM 839 NH2 ARG A 56 5.257 26.257 17.492 1.00 3.32 N ATOM 0 H ARG A 56 2.576 20.299 20.660 1.00 64.12 H new ATOM 0 HA ARG A 56 3.610 22.213 22.452 1.00 62.44 H new ATOM 0 HB2 ARG A 56 5.751 21.638 21.283 1.00 61.23 H new ATOM 0 HB3 ARG A 56 5.014 22.079 19.755 1.00 61.23 H new ATOM 0 HG2 ARG A 56 4.579 24.395 20.835 1.00 21.11 H new ATOM 0 HG3 ARG A 56 5.694 23.887 22.088 1.00 21.11 H new ATOM 0 HD2 ARG A 56 7.205 24.872 20.660 1.00 60.23 H new ATOM 0 HD3 ARG A 56 7.232 23.251 19.996 1.00 60.23 H new ATOM 0 HE ARG A 56 6.260 24.047 18.042 1.00 53.14 H new ATOM 0 HH11 ARG A 56 5.772 26.354 20.669 1.00 50.33 H new ATOM 0 HH12 ARG A 56 5.081 27.589 19.612 1.00 50.33 H new ATOM 0 HH21 ARG A 56 5.371 25.638 16.689 1.00 3.32 H new ATOM 0 HH22 ARG A 56 4.854 27.186 17.367 1.00 3.32 H new ATOM 853 N MET A 57 1.341 22.737 21.204 1.00 1.32 N ATOM 854 CA MET A 57 0.230 23.476 20.615 1.00 4.33 C ATOM 855 C MET A 57 -0.745 23.942 21.692 1.00 25.01 C ATOM 856 O MET A 57 -0.831 23.365 22.776 1.00 3.45 O ATOM 857 CB MET A 57 -0.501 22.608 19.590 1.00 40.14 C ATOM 858 CG MET A 57 -0.819 21.210 20.094 1.00 72.23 C ATOM 859 SD MET A 57 -2.171 20.435 19.186 1.00 41.20 S ATOM 860 CE MET A 57 -1.632 18.727 19.168 1.00 3.23 C ATOM 0 H MET A 57 1.097 22.203 22.038 1.00 1.32 H new ATOM 0 HA MET A 57 0.636 24.354 20.113 1.00 4.33 H new ATOM 0 HB2 MET A 57 -1.430 23.102 19.304 1.00 40.14 H new ATOM 0 HB3 MET A 57 0.109 22.531 18.690 1.00 40.14 H new ATOM 0 HG2 MET A 57 0.072 20.587 20.013 1.00 72.23 H new ATOM 0 HG3 MET A 57 -1.078 21.259 21.152 1.00 72.23 H new ATOM 0 HE1 MET A 57 -1.310 18.458 18.162 1.00 3.23 H new ATOM 0 HE2 MET A 57 -0.801 18.601 19.861 1.00 3.23 H new ATOM 0 HE3 MET A 57 -2.457 18.082 19.469 1.00 3.23 H new ATOM 870 N PRO A 58 -1.497 25.010 21.389 1.00 42.22 N ATOM 871 CA PRO A 58 -2.479 25.576 22.318 1.00 10.31 C ATOM 872 C PRO A 58 -3.683 24.662 22.517 1.00 52.15 C ATOM 873 O PRO A 58 -4.362 24.727 23.541 1.00 62.33 O ATOM 874 CB PRO A 58 -2.903 26.879 21.635 1.00 14.05 C ATOM 875 CG PRO A 58 -2.649 26.647 20.186 1.00 53.41 C ATOM 876 CD PRO A 58 -1.447 25.747 20.115 1.00 42.40 C ATOM 0 HA PRO A 58 -2.062 25.717 23.315 1.00 10.31 H new ATOM 0 HB2 PRO A 58 -3.954 27.100 21.822 1.00 14.05 H new ATOM 0 HB3 PRO A 58 -2.327 27.727 22.007 1.00 14.05 H new ATOM 0 HG2 PRO A 58 -3.512 26.184 19.708 1.00 53.41 H new ATOM 0 HG3 PRO A 58 -2.464 27.587 19.667 1.00 53.41 H new ATOM 0 HD2 PRO A 58 -1.499 25.074 19.259 1.00 42.40 H new ATOM 0 HD3 PRO A 58 -0.523 26.317 20.017 1.00 42.40 H new ATOM 884 N GLY A 59 -3.943 23.810 21.529 1.00 21.04 N ATOM 885 CA GLY A 59 -5.066 22.894 21.616 1.00 44.52 C ATOM 886 C GLY A 59 -5.065 22.096 22.905 1.00 40.45 C ATOM 887 O GLY A 59 -5.796 22.417 23.841 1.00 4.43 O ATOM 0 H GLY A 59 -3.396 23.738 20.671 1.00 21.04 H new ATOM 0 HA2 GLY A 59 -5.996 23.457 21.541 1.00 44.52 H new ATOM 0 HA3 GLY A 59 -5.039 22.209 20.768 1.00 44.52 H new ATOM 891 N MET A 60 -4.244 21.052 22.952 1.00 50.32 N ATOM 892 CA MET A 60 -4.152 20.206 24.136 1.00 74.34 C ATOM 893 C MET A 60 -2.710 19.776 24.386 1.00 35.22 C ATOM 894 O MET A 60 -2.032 20.323 25.256 1.00 60.03 O ATOM 895 CB MET A 60 -5.044 18.973 23.977 1.00 33.24 C ATOM 896 CG MET A 60 -4.989 18.027 25.166 1.00 74.53 C ATOM 897 SD MET A 60 -5.329 16.316 24.708 1.00 63.13 S ATOM 898 CE MET A 60 -6.639 16.540 23.508 1.00 53.44 C ATOM 0 H MET A 60 -3.633 20.772 22.185 1.00 50.32 H new ATOM 0 HA MET A 60 -4.493 20.785 24.994 1.00 74.34 H new ATOM 0 HB2 MET A 60 -6.074 19.296 23.828 1.00 33.24 H new ATOM 0 HB3 MET A 60 -4.746 18.432 23.079 1.00 33.24 H new ATOM 0 HG2 MET A 60 -4.003 18.087 25.628 1.00 74.53 H new ATOM 0 HG3 MET A 60 -5.712 18.349 25.915 1.00 74.53 H new ATOM 0 HE1 MET A 60 -7.090 15.575 23.277 1.00 53.44 H new ATOM 0 HE2 MET A 60 -7.398 17.206 23.918 1.00 53.44 H new ATOM 0 HE3 MET A 60 -6.228 16.975 22.597 1.00 53.44 H new ATOM 908 N ASP A 61 -2.249 18.794 23.620 1.00 31.40 N ATOM 909 CA ASP A 61 -0.887 18.291 23.759 1.00 72.12 C ATOM 910 C ASP A 61 -0.642 17.119 22.813 1.00 5.24 C ATOM 911 O ASP A 61 -1.498 16.774 22.001 1.00 33.40 O ATOM 912 CB ASP A 61 -0.624 17.861 25.203 1.00 52.11 C ATOM 913 CG ASP A 61 -1.751 17.020 25.771 1.00 44.30 C ATOM 914 OD1 ASP A 61 -2.264 16.147 25.042 1.00 73.34 O ATOM 915 OD2 ASP A 61 -2.119 17.236 26.945 1.00 40.53 O ATOM 0 H ASP A 61 -2.798 18.330 22.896 1.00 31.40 H new ATOM 0 HA ASP A 61 -0.200 19.096 23.497 1.00 72.12 H new ATOM 0 HB2 ASP A 61 0.306 17.294 25.247 1.00 52.11 H new ATOM 0 HB3 ASP A 61 -0.487 18.747 25.824 1.00 52.11 H new ATOM 920 N GLY A 62 0.536 16.512 22.925 1.00 42.01 N ATOM 921 CA GLY A 62 0.874 15.387 22.073 1.00 22.43 C ATOM 922 C GLY A 62 1.098 14.111 22.860 1.00 21.34 C ATOM 923 O GLY A 62 1.236 13.032 22.282 1.00 34.33 O ATOM 0 H GLY A 62 1.262 16.779 23.590 1.00 42.01 H new ATOM 0 HA2 GLY A 62 0.073 15.229 21.350 1.00 22.43 H new ATOM 0 HA3 GLY A 62 1.774 15.623 21.505 1.00 22.43 H new ATOM 927 N LEU A 63 1.137 14.232 24.183 1.00 53.34 N ATOM 928 CA LEU A 63 1.347 13.079 25.051 1.00 5.32 C ATOM 929 C LEU A 63 0.028 12.376 25.353 1.00 52.41 C ATOM 930 O LEU A 63 -0.044 11.148 25.366 1.00 25.12 O ATOM 931 CB LEU A 63 2.017 13.515 26.356 1.00 34.51 C ATOM 932 CG LEU A 63 3.506 13.849 26.268 1.00 60.03 C ATOM 933 CD1 LEU A 63 3.993 14.466 27.570 1.00 53.24 C ATOM 934 CD2 LEU A 63 4.313 12.604 25.931 1.00 22.42 C ATOM 0 H LEU A 63 1.026 15.117 24.678 1.00 53.34 H new ATOM 0 HA LEU A 63 1.999 12.377 24.531 1.00 5.32 H new ATOM 0 HB2 LEU A 63 1.491 14.391 26.736 1.00 34.51 H new ATOM 0 HB3 LEU A 63 1.886 12.721 27.091 1.00 34.51 H new ATOM 0 HG LEU A 63 3.648 14.577 25.469 1.00 60.03 H new ATOM 0 HD11 LEU A 63 5.055 14.697 27.488 1.00 53.24 H new ATOM 0 HD12 LEU A 63 3.437 15.382 27.769 1.00 53.24 H new ATOM 0 HD13 LEU A 63 3.837 13.762 28.387 1.00 53.24 H new ATOM 0 HD21 LEU A 63 5.371 12.861 25.872 1.00 22.42 H new ATOM 0 HD22 LEU A 63 4.164 11.853 26.707 1.00 22.42 H new ATOM 0 HD23 LEU A 63 3.983 12.205 24.972 1.00 22.42 H new ATOM 946 N ALA A 64 -1.015 13.164 25.593 1.00 51.45 N ATOM 947 CA ALA A 64 -2.333 12.618 25.890 1.00 73.35 C ATOM 948 C ALA A 64 -2.864 11.798 24.718 1.00 13.14 C ATOM 949 O ALA A 64 -3.576 10.811 24.910 1.00 15.50 O ATOM 950 CB ALA A 64 -3.303 13.738 26.235 1.00 35.33 C ATOM 0 H ALA A 64 -0.972 14.183 25.587 1.00 51.45 H new ATOM 0 HA ALA A 64 -2.239 11.956 26.751 1.00 73.35 H new ATOM 0 HB1 ALA A 64 -4.283 13.315 26.455 1.00 35.33 H new ATOM 0 HB2 ALA A 64 -2.938 14.280 27.107 1.00 35.33 H new ATOM 0 HB3 ALA A 64 -3.384 14.422 25.391 1.00 35.33 H new ATOM 956 N LEU A 65 -2.515 12.212 23.506 1.00 45.43 N ATOM 957 CA LEU A 65 -2.957 11.516 22.302 1.00 2.52 C ATOM 958 C LEU A 65 -2.017 10.363 21.964 1.00 55.32 C ATOM 959 O LEU A 65 -2.462 9.260 21.643 1.00 3.11 O ATOM 960 CB LEU A 65 -3.032 12.490 21.125 1.00 52.21 C ATOM 961 CG LEU A 65 -3.851 12.025 19.920 1.00 21.43 C ATOM 962 CD1 LEU A 65 -5.338 12.064 20.238 1.00 43.42 C ATOM 963 CD2 LEU A 65 -3.541 12.881 18.701 1.00 2.34 C ATOM 0 H LEU A 65 -1.927 13.027 23.330 1.00 45.43 H new ATOM 0 HA LEU A 65 -3.950 11.108 22.491 1.00 2.52 H new ATOM 0 HB2 LEU A 65 -3.452 13.430 21.483 1.00 52.21 H new ATOM 0 HB3 LEU A 65 -2.017 12.702 20.789 1.00 52.21 H new ATOM 0 HG LEU A 65 -3.576 10.995 19.694 1.00 21.43 H new ATOM 0 HD11 LEU A 65 -5.905 11.730 19.369 1.00 43.42 H new ATOM 0 HD12 LEU A 65 -5.547 11.407 21.082 1.00 43.42 H new ATOM 0 HD13 LEU A 65 -5.629 13.083 20.491 1.00 43.42 H new ATOM 0 HD21 LEU A 65 -4.133 12.535 17.854 1.00 2.34 H new ATOM 0 HD22 LEU A 65 -3.787 13.921 18.915 1.00 2.34 H new ATOM 0 HD23 LEU A 65 -2.481 12.801 18.460 1.00 2.34 H new ATOM 975 N LEU A 66 -0.717 10.625 22.039 1.00 32.34 N ATOM 976 CA LEU A 66 0.286 9.608 21.743 1.00 21.14 C ATOM 977 C LEU A 66 0.234 8.477 22.766 1.00 52.31 C ATOM 978 O LEU A 66 0.602 7.340 22.470 1.00 10.32 O ATOM 979 CB LEU A 66 1.683 10.231 21.726 1.00 11.33 C ATOM 980 CG LEU A 66 2.820 9.318 21.267 1.00 51.03 C ATOM 981 CD1 LEU A 66 2.778 9.131 19.758 1.00 11.30 C ATOM 982 CD2 LEU A 66 4.165 9.883 21.699 1.00 63.41 C ATOM 0 H LEU A 66 -0.333 11.532 22.302 1.00 32.34 H new ATOM 0 HA LEU A 66 0.067 9.193 20.759 1.00 21.14 H new ATOM 0 HB2 LEU A 66 1.661 11.105 21.076 1.00 11.33 H new ATOM 0 HB3 LEU A 66 1.913 10.587 22.730 1.00 11.33 H new ATOM 0 HG LEU A 66 2.690 8.343 21.737 1.00 51.03 H new ATOM 0 HD11 LEU A 66 3.595 8.478 19.449 1.00 11.30 H new ATOM 0 HD12 LEU A 66 1.827 8.681 19.473 1.00 11.30 H new ATOM 0 HD13 LEU A 66 2.883 10.099 19.268 1.00 11.30 H new ATOM 0 HD21 LEU A 66 4.963 9.220 21.364 1.00 63.41 H new ATOM 0 HD22 LEU A 66 4.304 10.870 21.258 1.00 63.41 H new ATOM 0 HD23 LEU A 66 4.193 9.964 22.786 1.00 63.41 H new ATOM 994 N LYS A 67 -0.228 8.797 23.970 1.00 32.31 N ATOM 995 CA LYS A 67 -0.333 7.808 25.037 1.00 40.22 C ATOM 996 C LYS A 67 -1.442 6.804 24.741 1.00 61.43 C ATOM 997 O LYS A 67 -1.464 5.708 25.301 1.00 14.22 O ATOM 998 CB LYS A 67 -0.600 8.499 26.376 1.00 53.11 C ATOM 999 CG LYS A 67 -0.733 7.535 27.542 1.00 23.11 C ATOM 1000 CD LYS A 67 -0.411 8.211 28.864 1.00 13.42 C ATOM 1001 CE LYS A 67 -0.818 7.345 30.047 1.00 43.33 C ATOM 1002 NZ LYS A 67 0.339 7.039 30.933 1.00 31.31 N ATOM 0 H LYS A 67 -0.536 9.734 24.232 1.00 32.31 H new ATOM 0 HA LYS A 67 0.613 7.270 25.095 1.00 40.22 H new ATOM 0 HB2 LYS A 67 0.211 9.197 26.583 1.00 53.11 H new ATOM 0 HB3 LYS A 67 -1.514 9.087 26.296 1.00 53.11 H new ATOM 0 HG2 LYS A 67 -1.748 7.138 27.573 1.00 23.11 H new ATOM 0 HG3 LYS A 67 -0.064 6.688 27.393 1.00 23.11 H new ATOM 0 HD2 LYS A 67 0.657 8.421 28.916 1.00 13.42 H new ATOM 0 HD3 LYS A 67 -0.927 9.170 28.919 1.00 13.42 H new ATOM 0 HE2 LYS A 67 -1.591 7.855 30.622 1.00 43.33 H new ATOM 0 HE3 LYS A 67 -1.253 6.414 29.683 1.00 43.33 H new ATOM 0 HZ1 LYS A 67 0.021 6.447 31.727 1.00 31.31 H new ATOM 0 HZ2 LYS A 67 1.066 6.530 30.391 1.00 31.31 H new ATOM 0 HZ3 LYS A 67 0.739 7.926 31.301 1.00 31.31 H new ATOM 1016 N GLN A 68 -2.358 7.184 23.856 1.00 12.13 N ATOM 1017 CA GLN A 68 -3.469 6.315 23.486 1.00 10.11 C ATOM 1018 C GLN A 68 -2.991 5.167 22.603 1.00 53.32 C ATOM 1019 O GLN A 68 -3.136 3.997 22.957 1.00 30.13 O ATOM 1020 CB GLN A 68 -4.551 7.117 22.760 1.00 31.53 C ATOM 1021 CG GLN A 68 -5.871 7.176 23.512 1.00 10.30 C ATOM 1022 CD GLN A 68 -7.070 7.015 22.599 1.00 34.41 C ATOM 1023 OE1 GLN A 68 -7.048 7.704 21.464 1.00 11.31 O flip ATOM 1024 NE2 GLN A 68 -8.007 6.278 22.910 1.00 32.13 N flip ATOM 0 H GLN A 68 -2.353 8.087 23.382 1.00 12.13 H new ATOM 0 HA GLN A 68 -3.890 5.895 24.400 1.00 10.11 H new ATOM 0 HB2 GLN A 68 -4.190 8.132 22.595 1.00 31.53 H new ATOM 0 HB3 GLN A 68 -4.721 6.676 21.778 1.00 31.53 H new ATOM 0 HG2 GLN A 68 -5.888 6.393 24.270 1.00 10.30 H new ATOM 0 HG3 GLN A 68 -5.944 8.129 24.037 1.00 10.30 H new ATOM 0 HE21 GLN A 68 -7.983 5.767 23.792 1.00 32.13 H new ATOM 0 HE22 GLN A 68 -8.807 6.179 22.285 1.00 32.13 H new ATOM 1033 N ILE A 69 -2.422 5.510 21.452 1.00 12.11 N ATOM 1034 CA ILE A 69 -1.923 4.508 20.519 1.00 22.10 C ATOM 1035 C ILE A 69 -0.949 3.556 21.204 1.00 24.34 C ATOM 1036 O ILE A 69 -0.743 2.429 20.753 1.00 33.33 O ATOM 1037 CB ILE A 69 -1.222 5.161 19.313 1.00 10.11 C ATOM 1038 CG1 ILE A 69 0.045 5.890 19.765 1.00 11.12 C ATOM 1039 CG2 ILE A 69 -2.168 6.120 18.606 1.00 11.35 C ATOM 1040 CD1 ILE A 69 0.831 6.500 18.625 1.00 33.53 C ATOM 0 H ILE A 69 -2.295 6.474 21.144 1.00 12.11 H new ATOM 0 HA ILE A 69 -2.788 3.947 20.166 1.00 22.10 H new ATOM 0 HB ILE A 69 -0.937 4.379 18.610 1.00 10.11 H new ATOM 0 HG12 ILE A 69 -0.229 6.676 20.468 1.00 11.12 H new ATOM 0 HG13 ILE A 69 0.685 5.190 20.303 1.00 11.12 H new ATOM 0 HG21 ILE A 69 -1.658 6.574 17.756 1.00 11.35 H new ATOM 0 HG22 ILE A 69 -3.044 5.574 18.255 1.00 11.35 H new ATOM 0 HG23 ILE A 69 -2.481 6.900 19.300 1.00 11.35 H new ATOM 0 HD11 ILE A 69 1.715 7.000 19.020 1.00 33.53 H new ATOM 0 HD12 ILE A 69 1.136 5.715 17.933 1.00 33.53 H new ATOM 0 HD13 ILE A 69 0.208 7.225 18.100 1.00 33.53 H new ATOM 1052 N LYS A 70 -0.351 4.016 22.299 1.00 74.34 N ATOM 1053 CA LYS A 70 0.599 3.205 23.050 1.00 5.10 C ATOM 1054 C LYS A 70 -0.056 1.922 23.551 1.00 63.25 C ATOM 1055 O LYS A 70 0.417 0.822 23.266 1.00 71.23 O ATOM 1056 CB LYS A 70 1.157 4.001 24.233 1.00 74.33 C ATOM 1057 CG LYS A 70 2.672 4.108 24.234 1.00 33.41 C ATOM 1058 CD LYS A 70 3.323 2.789 24.614 1.00 64.53 C ATOM 1059 CE LYS A 70 3.319 2.578 26.120 1.00 21.21 C ATOM 1060 NZ LYS A 70 4.253 1.493 26.531 1.00 2.31 N ATOM 0 H LYS A 70 -0.508 4.947 22.685 1.00 74.34 H new ATOM 0 HA LYS A 70 1.417 2.937 22.381 1.00 5.10 H new ATOM 0 HB2 LYS A 70 0.730 5.004 24.219 1.00 74.33 H new ATOM 0 HB3 LYS A 70 0.834 3.530 25.162 1.00 74.33 H new ATOM 0 HG2 LYS A 70 3.017 4.414 23.246 1.00 33.41 H new ATOM 0 HG3 LYS A 70 2.983 4.883 24.934 1.00 33.41 H new ATOM 0 HD2 LYS A 70 2.794 1.968 24.129 1.00 64.53 H new ATOM 0 HD3 LYS A 70 4.349 2.769 24.246 1.00 64.53 H new ATOM 0 HE2 LYS A 70 3.600 3.506 26.617 1.00 21.21 H new ATOM 0 HE3 LYS A 70 2.309 2.332 26.450 1.00 21.21 H new ATOM 0 HZ1 LYS A 70 4.221 1.380 27.564 1.00 2.31 H new ATOM 0 HZ2 LYS A 70 3.971 0.601 26.077 1.00 2.31 H new ATOM 0 HZ3 LYS A 70 5.221 1.739 26.239 1.00 2.31 H new ATOM 1074 N GLN A 71 -1.146 2.071 24.296 1.00 50.12 N ATOM 1075 CA GLN A 71 -1.866 0.923 24.835 1.00 44.15 C ATOM 1076 C GLN A 71 -2.942 0.451 23.863 1.00 34.21 C ATOM 1077 O GLN A 71 -3.438 -0.671 23.968 1.00 64.40 O ATOM 1078 CB GLN A 71 -2.497 1.277 26.182 1.00 74.10 C ATOM 1079 CG GLN A 71 -1.482 1.650 27.251 1.00 74.35 C ATOM 1080 CD GLN A 71 -2.008 1.431 28.656 1.00 44.22 C ATOM 1081 OE1 GLN A 71 -3.057 1.957 29.027 1.00 11.05 O ATOM 1082 NE2 GLN A 71 -1.279 0.652 29.446 1.00 64.41 N ATOM 0 H GLN A 71 -1.550 2.975 24.540 1.00 50.12 H new ATOM 0 HA GLN A 71 -1.152 0.112 24.979 1.00 44.15 H new ATOM 0 HB2 GLN A 71 -3.188 2.109 26.043 1.00 74.10 H new ATOM 0 HB3 GLN A 71 -3.086 0.429 26.532 1.00 74.10 H new ATOM 0 HG2 GLN A 71 -0.577 1.059 27.110 1.00 74.35 H new ATOM 0 HG3 GLN A 71 -1.201 2.696 27.131 1.00 74.35 H new ATOM 0 HE21 GLN A 71 -0.416 0.236 29.096 1.00 64.41 H new ATOM 0 HE22 GLN A 71 -1.582 0.469 30.402 1.00 64.41 H new ATOM 1091 N ARG A 72 -3.300 1.315 22.919 1.00 73.54 N ATOM 1092 CA ARG A 72 -4.320 0.986 21.929 1.00 23.04 C ATOM 1093 C ARG A 72 -3.731 0.144 20.801 1.00 0.30 C ATOM 1094 O ARG A 72 -4.148 -0.993 20.578 1.00 52.33 O ATOM 1095 CB ARG A 72 -4.937 2.264 21.358 1.00 20.22 C ATOM 1096 CG ARG A 72 -6.323 2.060 20.768 1.00 63.30 C ATOM 1097 CD ARG A 72 -7.412 2.366 21.784 1.00 23.12 C ATOM 1098 NE ARG A 72 -8.727 2.480 21.160 1.00 61.45 N ATOM 1099 CZ ARG A 72 -9.461 1.434 20.797 1.00 33.33 C ATOM 1100 NH1 ARG A 72 -9.012 0.203 20.997 1.00 24.40 N ATOM 1101 NH2 ARG A 72 -10.649 1.618 20.234 1.00 3.35 N ATOM 0 H ARG A 72 -2.900 2.248 22.818 1.00 73.54 H new ATOM 0 HA ARG A 72 -5.098 0.405 22.424 1.00 23.04 H new ATOM 0 HB2 ARG A 72 -4.994 3.014 22.147 1.00 20.22 H new ATOM 0 HB3 ARG A 72 -4.278 2.662 20.587 1.00 20.22 H new ATOM 0 HG2 ARG A 72 -6.447 2.702 19.896 1.00 63.30 H new ATOM 0 HG3 ARG A 72 -6.425 1.031 20.423 1.00 63.30 H new ATOM 0 HD2 ARG A 72 -7.436 1.579 22.538 1.00 23.12 H new ATOM 0 HD3 ARG A 72 -7.174 3.296 22.301 1.00 23.12 H new ATOM 0 HE ARG A 72 -9.103 3.414 20.994 1.00 61.45 H new ATOM 0 HH11 ARG A 72 -8.100 0.057 21.431 1.00 24.40 H new ATOM 0 HH12 ARG A 72 -9.578 -0.598 20.717 1.00 24.40 H new ATOM 0 HH21 ARG A 72 -10.999 2.563 20.080 1.00 3.35 H new ATOM 0 HH22 ARG A 72 -11.212 0.814 19.956 1.00 3.35 H new ATOM 1115 N HIS A 73 -2.760 0.711 20.092 1.00 25.51 N ATOM 1116 CA HIS A 73 -2.113 0.012 18.986 1.00 12.35 C ATOM 1117 C HIS A 73 -0.681 0.502 18.798 1.00 65.00 C ATOM 1118 O HIS A 73 -0.369 1.240 17.863 1.00 10.23 O ATOM 1119 CB HIS A 73 -2.907 0.213 17.695 1.00 31.32 C ATOM 1120 CG HIS A 73 -3.415 1.610 17.515 1.00 1.11 C ATOM 1121 ND1 HIS A 73 -2.683 2.603 16.900 1.00 44.52 N ATOM 1122 CD2 HIS A 73 -4.591 2.178 17.872 1.00 23.30 C ATOM 1123 CE1 HIS A 73 -3.385 3.722 16.888 1.00 53.04 C ATOM 1124 NE2 HIS A 73 -4.547 3.490 17.471 1.00 14.42 N ATOM 0 H HIS A 73 -2.404 1.651 20.263 1.00 25.51 H new ATOM 0 HA HIS A 73 -2.086 -1.051 19.226 1.00 12.35 H new ATOM 0 HB2 HIS A 73 -2.275 -0.047 16.846 1.00 31.32 H new ATOM 0 HB3 HIS A 73 -3.752 -0.476 17.687 1.00 31.32 H new ATOM 0 HD2 HIS A 73 -5.411 1.690 18.378 1.00 23.30 H new ATOM 0 HE1 HIS A 73 -3.063 4.666 16.472 1.00 53.04 H new ATOM 0 HE2 HIS A 73 -5.291 4.175 17.602 1.00 14.42 H new ATOM 1132 N PRO A 74 0.213 0.083 19.706 1.00 10.14 N ATOM 1133 CA PRO A 74 1.627 0.467 19.661 1.00 10.15 C ATOM 1134 C PRO A 74 2.366 -0.177 18.494 1.00 72.34 C ATOM 1135 O PRO A 74 3.533 0.123 18.243 1.00 14.54 O ATOM 1136 CB PRO A 74 2.177 -0.050 20.993 1.00 4.20 C ATOM 1137 CG PRO A 74 1.272 -1.172 21.367 1.00 62.41 C ATOM 1138 CD PRO A 74 -0.088 -0.798 20.847 1.00 32.11 C ATOM 0 HA PRO A 74 1.753 1.540 19.519 1.00 10.15 H new ATOM 0 HB2 PRO A 74 3.207 -0.390 20.890 1.00 4.20 H new ATOM 0 HB3 PRO A 74 2.173 0.732 21.753 1.00 4.20 H new ATOM 0 HG2 PRO A 74 1.613 -2.110 20.929 1.00 62.41 H new ATOM 0 HG3 PRO A 74 1.251 -1.313 22.448 1.00 62.41 H new ATOM 0 HD2 PRO A 74 -0.655 -1.676 20.538 1.00 32.11 H new ATOM 0 HD3 PRO A 74 -0.681 -0.286 21.605 1.00 32.11 H new ATOM 1146 N MET A 75 1.679 -1.064 17.782 1.00 75.44 N ATOM 1147 CA MET A 75 2.270 -1.750 16.638 1.00 3.25 C ATOM 1148 C MET A 75 2.263 -0.854 15.404 1.00 53.01 C ATOM 1149 O MET A 75 3.018 -1.078 14.457 1.00 72.31 O ATOM 1150 CB MET A 75 1.513 -3.047 16.347 1.00 43.25 C ATOM 1151 CG MET A 75 2.286 -4.300 16.726 1.00 13.20 C ATOM 1152 SD MET A 75 2.111 -5.619 15.509 1.00 43.31 S ATOM 1153 CE MET A 75 3.439 -5.213 14.378 1.00 63.24 C ATOM 0 H MET A 75 0.712 -1.325 17.977 1.00 75.44 H new ATOM 0 HA MET A 75 3.304 -1.990 16.884 1.00 3.25 H new ATOM 0 HB2 MET A 75 0.567 -3.036 16.889 1.00 43.25 H new ATOM 0 HB3 MET A 75 1.271 -3.086 15.285 1.00 43.25 H new ATOM 0 HG2 MET A 75 3.341 -4.051 16.837 1.00 13.20 H new ATOM 0 HG3 MET A 75 1.939 -4.657 17.696 1.00 13.20 H new ATOM 0 HE1 MET A 75 3.461 -5.941 13.567 1.00 63.24 H new ATOM 0 HE2 MET A 75 3.276 -4.217 13.968 1.00 63.24 H new ATOM 0 HE3 MET A 75 4.390 -5.235 14.911 1.00 63.24 H new ATOM 1163 N LEU A 76 1.405 0.161 15.420 1.00 24.41 N ATOM 1164 CA LEU A 76 1.299 1.091 14.301 1.00 25.32 C ATOM 1165 C LEU A 76 2.448 2.094 14.317 1.00 51.52 C ATOM 1166 O LEU A 76 2.762 2.700 15.342 1.00 71.30 O ATOM 1167 CB LEU A 76 -0.039 1.829 14.351 1.00 12.22 C ATOM 1168 CG LEU A 76 0.008 3.326 14.043 1.00 41.12 C ATOM 1169 CD1 LEU A 76 0.201 3.558 12.552 1.00 13.12 C ATOM 1170 CD2 LEU A 76 -1.259 4.012 14.532 1.00 74.33 C ATOM 0 H LEU A 76 0.773 0.361 16.195 1.00 24.41 H new ATOM 0 HA LEU A 76 1.355 0.517 13.376 1.00 25.32 H new ATOM 0 HB2 LEU A 76 -0.720 1.354 13.644 1.00 12.22 H new ATOM 0 HB3 LEU A 76 -0.467 1.696 15.344 1.00 12.22 H new ATOM 0 HG LEU A 76 0.858 3.759 14.571 1.00 41.12 H new ATOM 0 HD11 LEU A 76 0.232 4.629 12.351 1.00 13.12 H new ATOM 0 HD12 LEU A 76 1.137 3.101 12.231 1.00 13.12 H new ATOM 0 HD13 LEU A 76 -0.628 3.110 12.004 1.00 13.12 H new ATOM 0 HD21 LEU A 76 -1.207 5.077 14.304 1.00 74.33 H new ATOM 0 HD22 LEU A 76 -2.125 3.576 14.033 1.00 74.33 H new ATOM 0 HD23 LEU A 76 -1.354 3.876 15.609 1.00 74.33 H new ATOM 1182 N PRO A 77 3.089 2.278 13.153 1.00 4.33 N ATOM 1183 CA PRO A 77 4.211 3.211 13.007 1.00 61.55 C ATOM 1184 C PRO A 77 3.771 4.667 13.107 1.00 43.13 C ATOM 1185 O PRO A 77 2.933 5.128 12.331 1.00 24.13 O ATOM 1186 CB PRO A 77 4.743 2.908 11.603 1.00 34.34 C ATOM 1187 CG PRO A 77 3.575 2.343 10.870 1.00 43.53 C ATOM 1188 CD PRO A 77 2.769 1.591 11.891 1.00 34.33 C ATOM 0 HA PRO A 77 4.952 3.084 13.796 1.00 61.55 H new ATOM 0 HB2 PRO A 77 5.117 3.810 11.118 1.00 34.34 H new ATOM 0 HB3 PRO A 77 5.570 2.199 11.637 1.00 34.34 H new ATOM 0 HG2 PRO A 77 2.982 3.134 10.411 1.00 43.53 H new ATOM 0 HG3 PRO A 77 3.901 1.682 10.067 1.00 43.53 H new ATOM 0 HD2 PRO A 77 1.702 1.632 11.670 1.00 34.33 H new ATOM 0 HD3 PRO A 77 3.047 0.538 11.925 1.00 34.33 H new ATOM 1196 N VAL A 78 4.342 5.388 14.066 1.00 1.34 N ATOM 1197 CA VAL A 78 4.010 6.794 14.267 1.00 71.31 C ATOM 1198 C VAL A 78 5.262 7.663 14.241 1.00 52.42 C ATOM 1199 O VAL A 78 6.346 7.220 14.622 1.00 54.33 O ATOM 1200 CB VAL A 78 3.275 7.012 15.603 1.00 75.35 C ATOM 1201 CG1 VAL A 78 2.788 8.448 15.716 1.00 1.42 C ATOM 1202 CG2 VAL A 78 2.116 6.035 15.738 1.00 53.44 C ATOM 0 H VAL A 78 5.037 5.022 14.717 1.00 1.34 H new ATOM 0 HA VAL A 78 3.352 7.084 13.448 1.00 71.31 H new ATOM 0 HB VAL A 78 3.975 6.826 16.418 1.00 75.35 H new ATOM 0 HG11 VAL A 78 2.271 8.583 16.666 1.00 1.42 H new ATOM 0 HG12 VAL A 78 3.640 9.126 15.667 1.00 1.42 H new ATOM 0 HG13 VAL A 78 2.103 8.666 14.896 1.00 1.42 H new ATOM 0 HG21 VAL A 78 1.608 6.203 16.687 1.00 53.44 H new ATOM 0 HG22 VAL A 78 1.414 6.188 14.918 1.00 53.44 H new ATOM 0 HG23 VAL A 78 2.495 5.014 15.705 1.00 53.44 H new ATOM 1212 N ILE A 79 5.105 8.903 13.789 1.00 12.24 N ATOM 1213 CA ILE A 79 6.222 9.836 13.715 1.00 24.13 C ATOM 1214 C ILE A 79 5.994 11.040 14.622 1.00 3.52 C ATOM 1215 O ILE A 79 4.872 11.530 14.750 1.00 34.22 O ATOM 1216 CB ILE A 79 6.450 10.328 12.274 1.00 50.51 C ATOM 1217 CG1 ILE A 79 6.429 9.149 11.299 1.00 14.14 C ATOM 1218 CG2 ILE A 79 7.768 11.082 12.174 1.00 70.25 C ATOM 1219 CD1 ILE A 79 6.664 9.550 9.860 1.00 12.30 C ATOM 0 H ILE A 79 4.215 9.284 13.469 1.00 12.24 H new ATOM 0 HA ILE A 79 7.107 9.295 14.050 1.00 24.13 H new ATOM 0 HB ILE A 79 5.643 11.010 12.007 1.00 50.51 H new ATOM 0 HG12 ILE A 79 7.191 8.429 11.596 1.00 14.14 H new ATOM 0 HG13 ILE A 79 5.466 8.643 11.374 1.00 14.14 H new ATOM 0 HG21 ILE A 79 7.915 11.423 11.149 1.00 70.25 H new ATOM 0 HG22 ILE A 79 7.747 11.942 12.844 1.00 70.25 H new ATOM 0 HG23 ILE A 79 8.587 10.421 12.457 1.00 70.25 H new ATOM 0 HD11 ILE A 79 6.636 8.664 9.226 1.00 12.30 H new ATOM 0 HD12 ILE A 79 5.887 10.247 9.545 1.00 12.30 H new ATOM 0 HD13 ILE A 79 7.639 10.029 9.770 1.00 12.30 H new ATOM 1231 N ILE A 80 7.066 11.514 15.248 1.00 44.41 N ATOM 1232 CA ILE A 80 6.983 12.664 16.140 1.00 25.25 C ATOM 1233 C ILE A 80 7.352 13.952 15.413 1.00 13.40 C ATOM 1234 O ILE A 80 8.400 14.039 14.775 1.00 25.20 O ATOM 1235 CB ILE A 80 7.906 12.496 17.362 1.00 21.51 C ATOM 1236 CG1 ILE A 80 7.745 11.097 17.962 1.00 52.13 C ATOM 1237 CG2 ILE A 80 7.605 13.562 18.404 1.00 0.51 C ATOM 1238 CD1 ILE A 80 6.323 10.773 18.366 1.00 45.15 C ATOM 0 H ILE A 80 8.002 11.120 15.154 1.00 44.41 H new ATOM 0 HA ILE A 80 5.949 12.725 16.480 1.00 25.25 H new ATOM 0 HB ILE A 80 8.940 12.615 17.037 1.00 21.51 H new ATOM 0 HG12 ILE A 80 8.086 10.358 17.237 1.00 52.13 H new ATOM 0 HG13 ILE A 80 8.391 11.008 18.835 1.00 52.13 H new ATOM 0 HG21 ILE A 80 8.265 13.430 19.261 1.00 0.51 H new ATOM 0 HG22 ILE A 80 7.766 14.549 17.971 1.00 0.51 H new ATOM 0 HG23 ILE A 80 6.568 13.472 18.728 1.00 0.51 H new ATOM 0 HD11 ILE A 80 6.284 9.767 18.783 1.00 45.15 H new ATOM 0 HD12 ILE A 80 5.985 11.490 19.115 1.00 45.15 H new ATOM 0 HD13 ILE A 80 5.675 10.829 17.492 1.00 45.15 H new ATOM 1250 N MET A 81 6.482 14.952 15.515 1.00 3.34 N ATOM 1251 CA MET A 81 6.718 16.238 14.869 1.00 11.44 C ATOM 1252 C MET A 81 6.434 17.389 15.829 1.00 15.15 C ATOM 1253 O MET A 81 5.333 17.504 16.369 1.00 15.02 O ATOM 1254 CB MET A 81 5.845 16.373 13.620 1.00 11.33 C ATOM 1255 CG MET A 81 5.751 17.797 13.095 1.00 24.31 C ATOM 1256 SD MET A 81 4.882 17.900 11.519 1.00 61.22 S ATOM 1257 CE MET A 81 3.223 17.444 12.017 1.00 51.52 C ATOM 0 H MET A 81 5.608 14.896 16.038 1.00 3.34 H new ATOM 0 HA MET A 81 7.767 16.283 14.577 1.00 11.44 H new ATOM 0 HB2 MET A 81 6.246 15.731 12.836 1.00 11.33 H new ATOM 0 HB3 MET A 81 4.842 16.011 13.847 1.00 11.33 H new ATOM 0 HG2 MET A 81 5.238 18.418 13.830 1.00 24.31 H new ATOM 0 HG3 MET A 81 6.755 18.204 12.979 1.00 24.31 H new ATOM 0 HE1 MET A 81 2.766 16.830 11.241 1.00 51.52 H new ATOM 0 HE2 MET A 81 3.265 16.880 12.948 1.00 51.52 H new ATOM 0 HE3 MET A 81 2.627 18.345 12.165 1.00 51.52 H new ATOM 1267 N THR A 82 7.433 18.240 16.039 1.00 3.11 N ATOM 1268 CA THR A 82 7.291 19.381 16.935 1.00 30.31 C ATOM 1269 C THR A 82 8.549 20.242 16.933 1.00 20.53 C ATOM 1270 O THR A 82 9.458 20.027 16.132 1.00 51.42 O ATOM 1271 CB THR A 82 6.994 18.929 18.377 1.00 30.43 C ATOM 1272 OG1 THR A 82 6.532 20.040 19.154 1.00 74.54 O ATOM 1273 CG2 THR A 82 8.235 18.333 19.024 1.00 3.02 C ATOM 0 H THR A 82 8.350 18.161 15.600 1.00 3.11 H new ATOM 0 HA THR A 82 6.451 19.970 16.566 1.00 30.31 H new ATOM 0 HB THR A 82 6.219 18.164 18.341 1.00 30.43 H new ATOM 0 HG1 THR A 82 6.923 19.996 20.052 1.00 74.54 H new ATOM 0 HG21 THR A 82 8.001 18.021 20.042 1.00 3.02 H new ATOM 0 HG22 THR A 82 8.567 17.470 18.447 1.00 3.02 H new ATOM 0 HG23 THR A 82 9.028 19.081 19.047 1.00 3.02 H new ATOM 1281 N ALA A 83 8.595 21.215 17.836 1.00 2.54 N ATOM 1282 CA ALA A 83 9.744 22.107 17.940 1.00 33.14 C ATOM 1283 C ALA A 83 10.568 21.798 19.186 1.00 71.44 C ATOM 1284 O ALA A 83 10.357 20.779 19.845 1.00 70.13 O ATOM 1285 CB ALA A 83 9.286 23.558 17.955 1.00 30.12 C ATOM 0 H ALA A 83 7.850 21.406 18.506 1.00 2.54 H new ATOM 0 HA ALA A 83 10.378 21.946 17.068 1.00 33.14 H new ATOM 0 HB1 ALA A 83 10.154 24.213 18.033 1.00 30.12 H new ATOM 0 HB2 ALA A 83 8.747 23.779 17.034 1.00 30.12 H new ATOM 0 HB3 ALA A 83 8.629 23.723 18.809 1.00 30.12 H new ATOM 1291 N HIS A 84 11.508 22.682 19.502 1.00 10.44 N ATOM 1292 CA HIS A 84 12.364 22.503 20.669 1.00 4.14 C ATOM 1293 C HIS A 84 11.532 22.213 21.915 1.00 41.13 C ATOM 1294 O HIS A 84 11.981 21.517 22.825 1.00 5.54 O ATOM 1295 CB HIS A 84 13.223 23.748 20.894 1.00 1.12 C ATOM 1296 CG HIS A 84 12.430 24.965 21.258 1.00 12.14 C ATOM 1297 ND1 HIS A 84 12.707 25.741 22.364 1.00 44.54 N ATOM 1298 CD2 HIS A 84 11.363 25.539 20.656 1.00 54.45 C ATOM 1299 CE1 HIS A 84 11.844 26.740 22.426 1.00 63.42 C ATOM 1300 NE2 HIS A 84 11.018 26.640 21.400 1.00 13.25 N ATOM 0 H HIS A 84 11.697 23.529 18.967 1.00 10.44 H new ATOM 0 HA HIS A 84 13.016 21.650 20.482 1.00 4.14 H new ATOM 0 HB2 HIS A 84 13.944 23.544 21.686 1.00 1.12 H new ATOM 0 HB3 HIS A 84 13.794 23.954 19.989 1.00 1.12 H new ATOM 0 HD2 HIS A 84 10.873 25.195 19.757 1.00 54.45 H new ATOM 0 HE1 HIS A 84 11.818 27.507 23.186 1.00 63.42 H new ATOM 0 HE2 HIS A 84 10.249 27.277 21.194 1.00 13.25 H new ATOM 1308 N SER A 85 10.317 22.752 21.947 1.00 23.34 N ATOM 1309 CA SER A 85 9.424 22.555 23.083 1.00 21.50 C ATOM 1310 C SER A 85 9.119 21.073 23.284 1.00 45.12 C ATOM 1311 O SER A 85 8.644 20.397 22.372 1.00 74.32 O ATOM 1312 CB SER A 85 8.122 23.331 22.876 1.00 62.13 C ATOM 1313 OG SER A 85 7.579 23.756 24.114 1.00 44.23 O ATOM 0 H SER A 85 9.929 23.328 21.200 1.00 23.34 H new ATOM 0 HA SER A 85 9.924 22.930 23.976 1.00 21.50 H new ATOM 0 HB2 SER A 85 8.308 24.197 22.241 1.00 62.13 H new ATOM 0 HB3 SER A 85 7.400 22.703 22.355 1.00 62.13 H new ATOM 0 HG SER A 85 6.748 24.251 23.954 1.00 44.23 H new ATOM 1319 N ASP A 86 9.398 20.576 24.484 1.00 74.02 N ATOM 1320 CA ASP A 86 9.153 19.175 24.807 1.00 60.05 C ATOM 1321 C ASP A 86 10.016 18.260 23.944 1.00 63.14 C ATOM 1322 O ASP A 86 9.687 17.091 23.737 1.00 21.15 O ATOM 1323 CB ASP A 86 7.675 18.835 24.611 1.00 14.14 C ATOM 1324 CG ASP A 86 7.210 17.722 25.530 1.00 2.44 C ATOM 1325 OD1 ASP A 86 8.074 17.009 26.083 1.00 41.13 O ATOM 1326 OD2 ASP A 86 5.983 17.565 25.698 1.00 11.41 O ATOM 0 H ASP A 86 9.794 21.122 25.249 1.00 74.02 H new ATOM 0 HA ASP A 86 9.419 19.017 25.852 1.00 60.05 H new ATOM 0 HB2 ASP A 86 7.073 19.726 24.791 1.00 14.14 H new ATOM 0 HB3 ASP A 86 7.507 18.541 23.575 1.00 14.14 H new ATOM 1331 N LEU A 87 11.121 18.799 23.441 1.00 43.03 N ATOM 1332 CA LEU A 87 12.032 18.031 22.598 1.00 2.55 C ATOM 1333 C LEU A 87 12.575 16.819 23.348 1.00 45.12 C ATOM 1334 O LEU A 87 13.052 15.862 22.737 1.00 35.35 O ATOM 1335 CB LEU A 87 13.189 18.915 22.127 1.00 20.45 C ATOM 1336 CG LEU A 87 14.406 18.182 21.562 1.00 71.51 C ATOM 1337 CD1 LEU A 87 14.023 17.391 20.320 1.00 24.25 C ATOM 1338 CD2 LEU A 87 15.523 19.166 21.246 1.00 15.14 C ATOM 0 H LEU A 87 11.408 19.764 23.602 1.00 43.03 H new ATOM 0 HA LEU A 87 11.476 17.678 21.730 1.00 2.55 H new ATOM 0 HB2 LEU A 87 12.813 19.595 21.363 1.00 20.45 H new ATOM 0 HB3 LEU A 87 13.517 19.528 22.966 1.00 20.45 H new ATOM 0 HG LEU A 87 14.768 17.483 22.316 1.00 71.51 H new ATOM 0 HD11 LEU A 87 14.901 16.876 19.931 1.00 24.25 H new ATOM 0 HD12 LEU A 87 13.257 16.659 20.577 1.00 24.25 H new ATOM 0 HD13 LEU A 87 13.636 18.071 19.561 1.00 24.25 H new ATOM 0 HD21 LEU A 87 16.381 18.626 20.845 1.00 15.14 H new ATOM 0 HD22 LEU A 87 15.173 19.890 20.510 1.00 15.14 H new ATOM 0 HD23 LEU A 87 15.816 19.688 22.157 1.00 15.14 H new ATOM 1350 N ASP A 88 12.499 16.866 24.673 1.00 11.32 N ATOM 1351 CA ASP A 88 12.980 15.770 25.506 1.00 11.33 C ATOM 1352 C ASP A 88 12.311 14.456 25.115 1.00 42.21 C ATOM 1353 O ASP A 88 12.867 13.379 25.326 1.00 33.33 O ATOM 1354 CB ASP A 88 12.717 16.071 26.983 1.00 61.51 C ATOM 1355 CG ASP A 88 13.896 16.748 27.655 1.00 74.44 C ATOM 1356 OD1 ASP A 88 14.850 16.038 28.036 1.00 71.41 O ATOM 1357 OD2 ASP A 88 13.864 17.987 27.798 1.00 1.43 O ATOM 0 H ASP A 88 12.109 17.651 25.194 1.00 11.32 H new ATOM 0 HA ASP A 88 14.054 15.671 25.349 1.00 11.33 H new ATOM 0 HB2 ASP A 88 11.838 16.709 27.070 1.00 61.51 H new ATOM 0 HB3 ASP A 88 12.489 15.142 27.505 1.00 61.51 H new ATOM 1362 N ALA A 89 11.115 14.554 24.544 1.00 31.13 N ATOM 1363 CA ALA A 89 10.371 13.373 24.123 1.00 50.44 C ATOM 1364 C ALA A 89 11.036 12.704 22.925 1.00 42.33 C ATOM 1365 O ALA A 89 10.837 11.516 22.676 1.00 24.54 O ATOM 1366 CB ALA A 89 8.934 13.746 23.791 1.00 53.13 C ATOM 0 H ALA A 89 10.641 15.439 24.362 1.00 31.13 H new ATOM 0 HA ALA A 89 10.369 12.661 24.949 1.00 50.44 H new ATOM 0 HB1 ALA A 89 8.390 12.855 23.478 1.00 53.13 H new ATOM 0 HB2 ALA A 89 8.456 14.172 24.673 1.00 53.13 H new ATOM 0 HB3 ALA A 89 8.925 14.478 22.984 1.00 53.13 H new ATOM 1372 N ALA A 90 11.826 13.476 22.185 1.00 72.22 N ATOM 1373 CA ALA A 90 12.521 12.957 21.014 1.00 61.15 C ATOM 1374 C ALA A 90 13.349 11.726 21.367 1.00 33.10 C ATOM 1375 O ALA A 90 13.549 10.840 20.536 1.00 53.12 O ATOM 1376 CB ALA A 90 13.407 14.034 20.405 1.00 0.14 C ATOM 0 H ALA A 90 12.000 14.463 22.376 1.00 72.22 H new ATOM 0 HA ALA A 90 11.772 12.660 20.280 1.00 61.15 H new ATOM 0 HB1 ALA A 90 13.920 13.632 19.531 1.00 0.14 H new ATOM 0 HB2 ALA A 90 12.793 14.884 20.107 1.00 0.14 H new ATOM 0 HB3 ALA A 90 14.143 14.358 21.140 1.00 0.14 H new ATOM 1382 N VAL A 91 13.829 11.677 22.606 1.00 73.13 N ATOM 1383 CA VAL A 91 14.635 10.554 23.069 1.00 33.14 C ATOM 1384 C VAL A 91 13.754 9.390 23.510 1.00 70.15 C ATOM 1385 O VAL A 91 13.918 8.263 23.043 1.00 25.32 O ATOM 1386 CB VAL A 91 15.548 10.964 24.240 1.00 33.11 C ATOM 1387 CG1 VAL A 91 16.534 9.852 24.563 1.00 21.00 C ATOM 1388 CG2 VAL A 91 16.278 12.259 23.918 1.00 60.35 C ATOM 0 H VAL A 91 13.674 12.402 23.307 1.00 73.13 H new ATOM 0 HA VAL A 91 15.253 10.240 22.228 1.00 33.14 H new ATOM 0 HB VAL A 91 14.927 11.133 25.120 1.00 33.11 H new ATOM 0 HG11 VAL A 91 17.171 10.160 25.393 1.00 21.00 H new ATOM 0 HG12 VAL A 91 15.988 8.950 24.840 1.00 21.00 H new ATOM 0 HG13 VAL A 91 17.151 9.648 23.688 1.00 21.00 H new ATOM 0 HG21 VAL A 91 16.918 12.534 24.756 1.00 60.35 H new ATOM 0 HG22 VAL A 91 16.888 12.121 23.025 1.00 60.35 H new ATOM 0 HG23 VAL A 91 15.551 13.052 23.741 1.00 60.35 H new ATOM 1398 N SER A 92 12.818 9.671 24.410 1.00 31.04 N ATOM 1399 CA SER A 92 11.912 8.646 24.917 1.00 42.43 C ATOM 1400 C SER A 92 11.181 7.954 23.771 1.00 72.40 C ATOM 1401 O SER A 92 10.928 6.750 23.819 1.00 13.32 O ATOM 1402 CB SER A 92 10.900 9.263 25.884 1.00 40.31 C ATOM 1403 OG SER A 92 11.056 8.736 27.190 1.00 51.10 O ATOM 0 H SER A 92 12.667 10.600 24.804 1.00 31.04 H new ATOM 0 HA SER A 92 12.505 7.902 25.449 1.00 42.43 H new ATOM 0 HB2 SER A 92 11.028 10.345 25.907 1.00 40.31 H new ATOM 0 HB3 SER A 92 9.888 9.069 25.529 1.00 40.31 H new ATOM 0 HG SER A 92 10.399 9.147 27.789 1.00 51.10 H new ATOM 1409 N ALA A 93 10.844 8.723 22.741 1.00 10.11 N ATOM 1410 CA ALA A 93 10.144 8.184 21.582 1.00 54.52 C ATOM 1411 C ALA A 93 10.894 6.995 20.991 1.00 54.40 C ATOM 1412 O ALA A 93 10.329 5.915 20.822 1.00 74.34 O ATOM 1413 CB ALA A 93 9.954 9.267 20.530 1.00 41.13 C ATOM 0 H ALA A 93 11.045 9.722 22.686 1.00 10.11 H new ATOM 0 HA ALA A 93 9.165 7.835 21.910 1.00 54.52 H new ATOM 0 HB1 ALA A 93 9.430 8.851 19.670 1.00 41.13 H new ATOM 0 HB2 ALA A 93 9.369 10.084 20.951 1.00 41.13 H new ATOM 0 HB3 ALA A 93 10.927 9.643 20.215 1.00 41.13 H new ATOM 1419 N TYR A 94 12.168 7.202 20.679 1.00 60.04 N ATOM 1420 CA TYR A 94 12.995 6.147 20.103 1.00 15.54 C ATOM 1421 C TYR A 94 12.931 4.881 20.952 1.00 55.21 C ATOM 1422 O TYR A 94 12.794 3.776 20.427 1.00 13.52 O ATOM 1423 CB TYR A 94 14.445 6.618 19.978 1.00 15.12 C ATOM 1424 CG TYR A 94 14.659 7.633 18.878 1.00 12.23 C ATOM 1425 CD1 TYR A 94 14.231 7.382 17.581 1.00 73.13 C ATOM 1426 CD2 TYR A 94 15.289 8.844 19.137 1.00 12.42 C ATOM 1427 CE1 TYR A 94 14.425 8.306 16.573 1.00 42.23 C ATOM 1428 CE2 TYR A 94 15.486 9.775 18.136 1.00 42.33 C ATOM 1429 CZ TYR A 94 15.053 9.501 16.855 1.00 2.41 C ATOM 1430 OH TYR A 94 15.248 10.425 15.854 1.00 15.30 O ATOM 0 H TYR A 94 12.651 8.090 20.815 1.00 60.04 H new ATOM 0 HA TYR A 94 12.608 5.917 19.110 1.00 15.54 H new ATOM 0 HB2 TYR A 94 14.761 7.051 20.927 1.00 15.12 H new ATOM 0 HB3 TYR A 94 15.084 5.755 19.794 1.00 15.12 H new ATOM 0 HD1 TYR A 94 13.738 6.448 17.357 1.00 73.13 H new ATOM 0 HD2 TYR A 94 15.631 9.061 20.138 1.00 12.42 H new ATOM 0 HE1 TYR A 94 14.087 8.094 15.569 1.00 42.23 H new ATOM 0 HE2 TYR A 94 15.976 10.712 18.355 1.00 42.33 H new ATOM 0 HH TYR A 94 15.703 11.212 16.220 1.00 15.30 H new ATOM 1440 N GLN A 95 13.030 5.052 22.266 1.00 20.13 N ATOM 1441 CA GLN A 95 12.984 3.923 23.188 1.00 14.33 C ATOM 1442 C GLN A 95 11.577 3.339 23.263 1.00 12.12 C ATOM 1443 O GLN A 95 11.399 2.167 23.593 1.00 71.34 O ATOM 1444 CB GLN A 95 13.444 4.356 24.581 1.00 14.54 C ATOM 1445 CG GLN A 95 14.909 4.758 24.641 1.00 74.40 C ATOM 1446 CD GLN A 95 15.529 4.502 26.001 1.00 52.54 C ATOM 1447 OE1 GLN A 95 15.657 3.356 26.432 1.00 44.31 O ATOM 1448 NE2 GLN A 95 15.917 5.572 26.684 1.00 4.34 N ATOM 0 H GLN A 95 13.142 5.960 22.716 1.00 20.13 H new ATOM 0 HA GLN A 95 13.658 3.153 22.814 1.00 14.33 H new ATOM 0 HB2 GLN A 95 12.832 5.195 24.912 1.00 14.54 H new ATOM 0 HB3 GLN A 95 13.271 3.539 25.282 1.00 14.54 H new ATOM 0 HG2 GLN A 95 15.465 4.206 23.883 1.00 74.40 H new ATOM 0 HG3 GLN A 95 15.002 5.816 24.397 1.00 74.40 H new ATOM 0 HE21 GLN A 95 15.791 6.503 26.287 1.00 4.34 H new ATOM 0 HE22 GLN A 95 16.341 5.463 27.605 1.00 4.34 H new ATOM 1457 N GLN A 96 10.581 4.164 22.956 1.00 44.51 N ATOM 1458 CA GLN A 96 9.190 3.729 22.990 1.00 63.12 C ATOM 1459 C GLN A 96 8.808 3.028 21.691 1.00 74.14 C ATOM 1460 O GLN A 96 7.829 2.284 21.640 1.00 63.31 O ATOM 1461 CB GLN A 96 8.266 4.923 23.230 1.00 15.33 C ATOM 1462 CG GLN A 96 7.758 5.021 24.660 1.00 55.32 C ATOM 1463 CD GLN A 96 6.932 6.270 24.902 1.00 62.25 C ATOM 1464 OE1 GLN A 96 7.439 7.277 25.397 1.00 60.31 O ATOM 1465 NE2 GLN A 96 5.653 6.211 24.552 1.00 75.40 N ATOM 0 H GLN A 96 10.712 5.137 22.681 1.00 44.51 H new ATOM 0 HA GLN A 96 9.077 3.021 23.811 1.00 63.12 H new ATOM 0 HB2 GLN A 96 8.798 5.840 22.979 1.00 15.33 H new ATOM 0 HB3 GLN A 96 7.414 4.854 22.554 1.00 15.33 H new ATOM 0 HG2 GLN A 96 7.156 4.142 24.889 1.00 55.32 H new ATOM 0 HG3 GLN A 96 8.606 5.013 25.344 1.00 55.32 H new ATOM 0 HE21 GLN A 96 5.275 5.356 24.145 1.00 75.40 H new ATOM 0 HE22 GLN A 96 5.049 7.021 24.690 1.00 75.40 H new ATOM 1474 N GLY A 97 9.586 3.271 20.641 1.00 43.44 N ATOM 1475 CA GLY A 97 9.312 2.656 19.355 1.00 1.41 C ATOM 1476 C GLY A 97 8.988 3.676 18.282 1.00 54.42 C ATOM 1477 O GLY A 97 8.215 3.398 17.365 1.00 44.11 O ATOM 0 H GLY A 97 10.402 3.883 20.658 1.00 43.44 H new ATOM 0 HA2 GLY A 97 10.177 2.069 19.045 1.00 1.41 H new ATOM 0 HA3 GLY A 97 8.477 1.963 19.458 1.00 1.41 H new ATOM 1481 N ALA A 98 9.577 4.862 18.397 1.00 64.25 N ATOM 1482 CA ALA A 98 9.347 5.927 17.428 1.00 20.51 C ATOM 1483 C ALA A 98 9.895 5.549 16.056 1.00 23.12 C ATOM 1484 O ALA A 98 10.713 4.637 15.933 1.00 45.21 O ATOM 1485 CB ALA A 98 9.977 7.225 17.911 1.00 32.42 C ATOM 0 H ALA A 98 10.217 5.110 19.152 1.00 64.25 H new ATOM 0 HA ALA A 98 8.271 6.072 17.333 1.00 20.51 H new ATOM 0 HB1 ALA A 98 9.798 8.011 17.178 1.00 32.42 H new ATOM 0 HB2 ALA A 98 9.535 7.511 18.865 1.00 32.42 H new ATOM 0 HB3 ALA A 98 11.051 7.084 18.036 1.00 32.42 H new ATOM 1491 N PHE A 99 9.439 6.255 15.027 1.00 71.10 N ATOM 1492 CA PHE A 99 9.883 5.992 13.663 1.00 53.31 C ATOM 1493 C PHE A 99 10.916 7.024 13.219 1.00 72.20 C ATOM 1494 O PHE A 99 12.000 6.672 12.753 1.00 32.12 O ATOM 1495 CB PHE A 99 8.690 6.004 12.705 1.00 72.42 C ATOM 1496 CG PHE A 99 8.990 5.392 11.366 1.00 2.13 C ATOM 1497 CD1 PHE A 99 9.077 4.017 11.222 1.00 31.30 C ATOM 1498 CD2 PHE A 99 9.185 6.192 10.252 1.00 4.32 C ATOM 1499 CE1 PHE A 99 9.354 3.452 9.992 1.00 70.44 C ATOM 1500 CE2 PHE A 99 9.462 5.633 9.019 1.00 23.20 C ATOM 1501 CZ PHE A 99 9.546 4.260 8.889 1.00 53.55 C ATOM 0 H PHE A 99 8.762 7.014 15.111 1.00 71.10 H new ATOM 0 HA PHE A 99 10.348 5.006 13.642 1.00 53.31 H new ATOM 0 HB2 PHE A 99 7.860 5.466 13.164 1.00 72.42 H new ATOM 0 HB3 PHE A 99 8.361 7.033 12.560 1.00 72.42 H new ATOM 0 HD1 PHE A 99 8.927 3.380 12.081 1.00 31.30 H new ATOM 0 HD2 PHE A 99 9.120 7.266 10.348 1.00 4.32 H new ATOM 0 HE1 PHE A 99 9.420 2.379 9.893 1.00 70.44 H new ATOM 0 HE2 PHE A 99 9.613 6.268 8.159 1.00 23.20 H new ATOM 0 HZ PHE A 99 9.761 3.820 7.927 1.00 53.55 H new ATOM 1511 N ASP A 100 10.571 8.298 13.366 1.00 3.33 N ATOM 1512 CA ASP A 100 11.468 9.382 12.981 1.00 11.15 C ATOM 1513 C ASP A 100 10.965 10.719 13.516 1.00 1.35 C ATOM 1514 O ASP A 100 9.898 10.794 14.126 1.00 21.45 O ATOM 1515 CB ASP A 100 11.602 9.446 11.459 1.00 31.52 C ATOM 1516 CG ASP A 100 13.048 9.496 11.007 1.00 60.21 C ATOM 1517 OD1 ASP A 100 13.826 8.604 11.407 1.00 54.45 O ATOM 1518 OD2 ASP A 100 13.403 10.427 10.254 1.00 55.21 O ATOM 0 H ASP A 100 9.677 8.606 13.749 1.00 3.33 H new ATOM 0 HA ASP A 100 12.447 9.182 13.416 1.00 11.15 H new ATOM 0 HB2 ASP A 100 11.116 8.576 11.017 1.00 31.52 H new ATOM 0 HB3 ASP A 100 11.078 10.326 11.088 1.00 31.52 H new ATOM 1523 N TYR A 101 11.741 11.773 13.285 1.00 75.52 N ATOM 1524 CA TYR A 101 11.376 13.107 13.746 1.00 33.44 C ATOM 1525 C TYR A 101 11.272 14.079 12.575 1.00 23.03 C ATOM 1526 O TYR A 101 12.282 14.487 12.000 1.00 24.14 O ATOM 1527 CB TYR A 101 12.402 13.617 14.759 1.00 43.33 C ATOM 1528 CG TYR A 101 11.955 14.855 15.503 1.00 42.55 C ATOM 1529 CD1 TYR A 101 10.768 14.865 16.224 1.00 54.20 C ATOM 1530 CD2 TYR A 101 12.719 16.016 15.483 1.00 22.41 C ATOM 1531 CE1 TYR A 101 10.355 15.994 16.905 1.00 55.25 C ATOM 1532 CE2 TYR A 101 12.315 17.149 16.162 1.00 72.31 C ATOM 1533 CZ TYR A 101 11.132 17.133 16.871 1.00 53.21 C ATOM 1534 OH TYR A 101 10.725 18.260 17.547 1.00 14.42 O ATOM 0 H TYR A 101 12.627 11.729 12.781 1.00 75.52 H new ATOM 0 HA TYR A 101 10.400 13.043 14.228 1.00 33.44 H new ATOM 0 HB2 TYR A 101 12.613 12.827 15.479 1.00 43.33 H new ATOM 0 HB3 TYR A 101 13.336 13.833 14.240 1.00 43.33 H new ATOM 0 HD1 TYR A 101 10.157 13.975 16.253 1.00 54.20 H new ATOM 0 HD2 TYR A 101 13.645 16.033 14.927 1.00 22.41 H new ATOM 0 HE1 TYR A 101 9.429 15.985 17.461 1.00 55.25 H new ATOM 0 HE2 TYR A 101 12.922 18.042 16.138 1.00 72.31 H new ATOM 0 HH TYR A 101 10.617 19.000 16.914 1.00 14.42 H new ATOM 1544 N LEU A 102 10.044 14.447 12.227 1.00 2.15 N ATOM 1545 CA LEU A 102 9.806 15.373 11.125 1.00 23.42 C ATOM 1546 C LEU A 102 9.245 16.696 11.637 1.00 63.34 C ATOM 1547 O LEU A 102 8.052 16.976 11.527 1.00 75.13 O ATOM 1548 CB LEU A 102 8.841 14.754 10.113 1.00 60.42 C ATOM 1549 CG LEU A 102 8.778 15.432 8.744 1.00 40.11 C ATOM 1550 CD1 LEU A 102 10.141 15.402 8.070 1.00 1.22 C ATOM 1551 CD2 LEU A 102 7.732 14.763 7.865 1.00 73.13 C ATOM 0 H LEU A 102 9.198 14.118 12.692 1.00 2.15 H new ATOM 0 HA LEU A 102 10.760 15.570 10.635 1.00 23.42 H new ATOM 0 HB2 LEU A 102 9.120 13.710 9.967 1.00 60.42 H new ATOM 0 HB3 LEU A 102 7.840 14.759 10.545 1.00 60.42 H new ATOM 0 HG LEU A 102 8.490 16.473 8.889 1.00 40.11 H new ATOM 0 HD11 LEU A 102 10.077 15.889 7.097 1.00 1.22 H new ATOM 0 HD12 LEU A 102 10.866 15.928 8.692 1.00 1.22 H new ATOM 0 HD13 LEU A 102 10.459 14.368 7.938 1.00 1.22 H new ATOM 0 HD21 LEU A 102 7.701 15.259 6.895 1.00 73.13 H new ATOM 0 HD22 LEU A 102 7.990 13.713 7.728 1.00 73.13 H new ATOM 0 HD23 LEU A 102 6.755 14.837 8.342 1.00 73.13 H new ATOM 1563 N PRO A 103 10.126 17.531 12.208 1.00 70.23 N ATOM 1564 CA PRO A 103 9.742 18.840 12.745 1.00 61.32 C ATOM 1565 C PRO A 103 9.367 19.829 11.647 1.00 13.32 C ATOM 1566 O PRO A 103 9.840 19.726 10.515 1.00 1.33 O ATOM 1567 CB PRO A 103 11.003 19.306 13.477 1.00 13.21 C ATOM 1568 CG PRO A 103 12.121 18.592 12.799 1.00 13.21 C ATOM 1569 CD PRO A 103 11.564 17.262 12.372 1.00 23.05 C ATOM 0 HA PRO A 103 8.861 18.777 13.383 1.00 61.32 H new ATOM 0 HB2 PRO A 103 11.124 20.387 13.408 1.00 13.21 H new ATOM 0 HB3 PRO A 103 10.960 19.057 14.537 1.00 13.21 H new ATOM 0 HG2 PRO A 103 12.482 19.158 11.940 1.00 13.21 H new ATOM 0 HG3 PRO A 103 12.967 18.462 13.474 1.00 13.21 H new ATOM 0 HD2 PRO A 103 12.017 16.917 11.443 1.00 23.05 H new ATOM 0 HD3 PRO A 103 11.746 16.491 13.121 1.00 23.05 H new ATOM 1577 N LYS A 104 8.513 20.789 11.989 1.00 63.24 N ATOM 1578 CA LYS A 104 8.075 21.799 11.033 1.00 11.11 C ATOM 1579 C LYS A 104 8.820 23.113 11.250 1.00 73.50 C ATOM 1580 O LYS A 104 9.317 23.399 12.339 1.00 11.51 O ATOM 1581 CB LYS A 104 6.567 22.029 11.158 1.00 21.13 C ATOM 1582 CG LYS A 104 6.099 22.229 12.589 1.00 1.43 C ATOM 1583 CD LYS A 104 5.237 21.071 13.062 1.00 60.24 C ATOM 1584 CE LYS A 104 4.152 21.538 14.020 1.00 70.32 C ATOM 1585 NZ LYS A 104 4.725 22.111 15.269 1.00 35.23 N ATOM 0 H LYS A 104 8.111 20.888 12.921 1.00 63.24 H new ATOM 0 HA LYS A 104 8.299 21.436 10.030 1.00 11.11 H new ATOM 0 HB2 LYS A 104 6.291 22.904 10.569 1.00 21.13 H new ATOM 0 HB3 LYS A 104 6.041 21.176 10.728 1.00 21.13 H new ATOM 0 HG2 LYS A 104 6.964 22.331 13.244 1.00 1.43 H new ATOM 0 HG3 LYS A 104 5.533 23.158 12.661 1.00 1.43 H new ATOM 0 HD2 LYS A 104 4.779 20.582 12.202 1.00 60.24 H new ATOM 0 HD3 LYS A 104 5.863 20.327 13.555 1.00 60.24 H new ATOM 0 HE2 LYS A 104 3.531 22.287 13.528 1.00 70.32 H new ATOM 0 HE3 LYS A 104 3.502 20.699 14.270 1.00 70.32 H new ATOM 0 HZ1 LYS A 104 4.379 21.572 16.089 1.00 35.23 H new ATOM 0 HZ2 LYS A 104 5.763 22.056 15.232 1.00 35.23 H new ATOM 0 HZ3 LYS A 104 4.434 23.105 15.360 1.00 35.23 H new ATOM 1599 N PRO A 105 8.898 23.931 10.190 1.00 4.14 N ATOM 1600 CA PRO A 105 8.311 23.600 8.889 1.00 71.02 C ATOM 1601 C PRO A 105 9.052 22.465 8.190 1.00 34.34 C ATOM 1602 O PRO A 105 10.273 22.350 8.296 1.00 71.53 O ATOM 1603 CB PRO A 105 8.454 24.900 8.094 1.00 13.30 C ATOM 1604 CG PRO A 105 9.607 25.603 8.722 1.00 44.32 C ATOM 1605 CD PRO A 105 9.568 25.243 10.181 1.00 34.21 C ATOM 0 HA PRO A 105 7.282 23.252 8.983 1.00 71.02 H new ATOM 0 HB2 PRO A 105 8.639 24.700 7.039 1.00 13.30 H new ATOM 0 HB3 PRO A 105 7.546 25.500 8.150 1.00 13.30 H new ATOM 0 HG2 PRO A 105 10.548 25.291 8.268 1.00 44.32 H new ATOM 0 HG3 PRO A 105 9.528 26.681 8.584 1.00 44.32 H new ATOM 0 HD2 PRO A 105 10.569 25.186 10.608 1.00 34.21 H new ATOM 0 HD3 PRO A 105 9.015 25.981 10.762 1.00 34.21 H new ATOM 1613 N PHE A 106 8.305 21.628 7.477 1.00 43.33 N ATOM 1614 CA PHE A 106 8.892 20.501 6.761 1.00 53.20 C ATOM 1615 C PHE A 106 8.380 20.444 5.324 1.00 23.35 C ATOM 1616 O PHE A 106 7.300 20.949 5.018 1.00 44.21 O ATOM 1617 CB PHE A 106 8.571 19.190 7.481 1.00 22.22 C ATOM 1618 CG PHE A 106 7.140 18.758 7.332 1.00 43.20 C ATOM 1619 CD1 PHE A 106 6.744 17.988 6.251 1.00 64.15 C ATOM 1620 CD2 PHE A 106 6.191 19.123 8.273 1.00 40.20 C ATOM 1621 CE1 PHE A 106 5.429 17.589 6.110 1.00 35.43 C ATOM 1622 CE2 PHE A 106 4.874 18.727 8.138 1.00 30.43 C ATOM 1623 CZ PHE A 106 4.492 17.959 7.055 1.00 10.51 C ATOM 0 H PHE A 106 7.293 21.709 7.380 1.00 43.33 H new ATOM 0 HA PHE A 106 9.973 20.640 6.738 1.00 53.20 H new ATOM 0 HB2 PHE A 106 9.221 18.405 7.095 1.00 22.22 H new ATOM 0 HB3 PHE A 106 8.800 19.302 8.541 1.00 22.22 H new ATOM 0 HD1 PHE A 106 7.472 17.696 5.509 1.00 64.15 H new ATOM 0 HD2 PHE A 106 6.484 19.724 9.121 1.00 40.20 H new ATOM 0 HE1 PHE A 106 5.134 16.989 5.262 1.00 35.43 H new ATOM 0 HE2 PHE A 106 4.144 19.018 8.879 1.00 30.43 H new ATOM 0 HZ PHE A 106 3.463 17.649 6.948 1.00 10.51 H new ATOM 1633 N ASP A 107 9.164 19.825 4.448 1.00 20.14 N ATOM 1634 CA ASP A 107 8.792 19.700 3.044 1.00 54.21 C ATOM 1635 C ASP A 107 7.965 18.439 2.811 1.00 43.22 C ATOM 1636 O ASP A 107 8.485 17.325 2.875 1.00 34.54 O ATOM 1637 CB ASP A 107 10.042 19.676 2.163 1.00 74.01 C ATOM 1638 CG ASP A 107 9.870 20.485 0.892 1.00 20.32 C ATOM 1639 OD1 ASP A 107 8.711 20.745 0.506 1.00 0.11 O ATOM 1640 OD2 ASP A 107 10.895 20.858 0.284 1.00 13.12 O ATOM 0 H ASP A 107 10.061 19.402 4.686 1.00 20.14 H new ATOM 0 HA ASP A 107 8.185 20.565 2.776 1.00 54.21 H new ATOM 0 HB2 ASP A 107 10.888 20.067 2.728 1.00 74.01 H new ATOM 0 HB3 ASP A 107 10.281 18.644 1.904 1.00 74.01 H new ATOM 1645 N ILE A 108 6.677 18.623 2.541 1.00 45.53 N ATOM 1646 CA ILE A 108 5.780 17.501 2.298 1.00 21.22 C ATOM 1647 C ILE A 108 6.351 16.558 1.244 1.00 3.23 C ATOM 1648 O ILE A 108 6.044 15.366 1.231 1.00 23.03 O ATOM 1649 CB ILE A 108 4.389 17.980 1.842 1.00 3.03 C ATOM 1650 CG1 ILE A 108 4.462 18.549 0.424 1.00 54.31 C ATOM 1651 CG2 ILE A 108 3.844 19.020 2.809 1.00 3.53 C ATOM 1652 CD1 ILE A 108 5.224 19.853 0.334 1.00 20.40 C ATOM 0 H ILE A 108 6.232 19.539 2.485 1.00 45.53 H new ATOM 0 HA ILE A 108 5.680 16.968 3.243 1.00 21.22 H new ATOM 0 HB ILE A 108 3.710 17.127 1.837 1.00 3.03 H new ATOM 0 HG12 ILE A 108 4.935 17.816 -0.229 1.00 54.31 H new ATOM 0 HG13 ILE A 108 3.450 18.703 0.050 1.00 54.31 H new ATOM 0 HG21 ILE A 108 2.860 19.349 2.473 1.00 3.53 H new ATOM 0 HG22 ILE A 108 3.760 18.583 3.804 1.00 3.53 H new ATOM 0 HG23 ILE A 108 4.520 19.874 2.843 1.00 3.53 H new ATOM 0 HD11 ILE A 108 5.235 20.197 -0.700 1.00 20.40 H new ATOM 0 HD12 ILE A 108 4.739 20.602 0.961 1.00 20.40 H new ATOM 0 HD13 ILE A 108 6.247 19.701 0.677 1.00 20.40 H new ATOM 1664 N ASP A 109 7.185 17.100 0.363 1.00 12.24 N ATOM 1665 CA ASP A 109 7.802 16.307 -0.693 1.00 42.23 C ATOM 1666 C ASP A 109 8.543 15.107 -0.110 1.00 55.54 C ATOM 1667 O ASP A 109 8.527 14.019 -0.684 1.00 31.24 O ATOM 1668 CB ASP A 109 8.766 17.169 -1.510 1.00 51.23 C ATOM 1669 CG ASP A 109 8.351 17.283 -2.964 1.00 60.51 C ATOM 1670 OD1 ASP A 109 8.687 16.372 -3.750 1.00 70.21 O ATOM 1671 OD2 ASP A 109 7.690 18.281 -3.316 1.00 14.43 O ATOM 0 H ASP A 109 7.449 18.085 0.360 1.00 12.24 H new ATOM 0 HA ASP A 109 7.011 15.940 -1.347 1.00 42.23 H new ATOM 0 HB2 ASP A 109 8.819 18.165 -1.071 1.00 51.23 H new ATOM 0 HB3 ASP A 109 9.767 16.742 -1.453 1.00 51.23 H new ATOM 1676 N GLU A 110 9.191 15.316 1.031 1.00 14.04 N ATOM 1677 CA GLU A 110 9.938 14.251 1.690 1.00 3.40 C ATOM 1678 C GLU A 110 9.031 13.437 2.608 1.00 61.45 C ATOM 1679 O GLU A 110 9.314 12.277 2.907 1.00 74.13 O ATOM 1680 CB GLU A 110 11.102 14.837 2.494 1.00 75.45 C ATOM 1681 CG GLU A 110 12.443 14.200 2.174 1.00 65.33 C ATOM 1682 CD GLU A 110 13.538 14.635 3.128 1.00 3.52 C ATOM 1683 OE1 GLU A 110 13.211 15.240 4.170 1.00 5.35 O ATOM 1684 OE2 GLU A 110 14.722 14.371 2.832 1.00 25.11 O ATOM 0 H GLU A 110 9.214 16.212 1.518 1.00 14.04 H new ATOM 0 HA GLU A 110 10.334 13.589 0.919 1.00 3.40 H new ATOM 0 HB2 GLU A 110 11.163 15.908 2.302 1.00 75.45 H new ATOM 0 HB3 GLU A 110 10.896 14.715 3.557 1.00 75.45 H new ATOM 0 HG2 GLU A 110 12.344 13.115 2.211 1.00 65.33 H new ATOM 0 HG3 GLU A 110 12.730 14.459 1.155 1.00 65.33 H new ATOM 1691 N ALA A 111 7.940 14.053 3.051 1.00 44.11 N ATOM 1692 CA ALA A 111 6.991 13.386 3.933 1.00 72.23 C ATOM 1693 C ALA A 111 6.142 12.379 3.164 1.00 72.00 C ATOM 1694 O ALA A 111 5.847 11.292 3.662 1.00 54.43 O ATOM 1695 CB ALA A 111 6.102 14.410 4.623 1.00 24.14 C ATOM 0 H ALA A 111 7.692 15.013 2.813 1.00 44.11 H new ATOM 0 HA ALA A 111 7.556 12.843 4.690 1.00 72.23 H new ATOM 0 HB1 ALA A 111 5.398 13.898 5.279 1.00 24.14 H new ATOM 0 HB2 ALA A 111 6.719 15.089 5.212 1.00 24.14 H new ATOM 0 HB3 ALA A 111 5.552 14.978 3.873 1.00 24.14 H new ATOM 1701 N VAL A 112 5.751 12.747 1.948 1.00 41.40 N ATOM 1702 CA VAL A 112 4.936 11.876 1.110 1.00 10.01 C ATOM 1703 C VAL A 112 5.555 10.487 0.996 1.00 52.41 C ATOM 1704 O VAL A 112 4.850 9.479 1.018 1.00 70.04 O ATOM 1705 CB VAL A 112 4.756 12.464 -0.302 1.00 72.52 C ATOM 1706 CG1 VAL A 112 4.038 11.472 -1.205 1.00 54.43 C ATOM 1707 CG2 VAL A 112 4.001 13.783 -0.238 1.00 31.32 C ATOM 0 H VAL A 112 5.986 13.643 1.521 1.00 41.40 H new ATOM 0 HA VAL A 112 3.960 11.797 1.589 1.00 10.01 H new ATOM 0 HB VAL A 112 5.742 12.657 -0.725 1.00 72.52 H new ATOM 0 HG11 VAL A 112 3.919 11.904 -2.199 1.00 54.43 H new ATOM 0 HG12 VAL A 112 4.623 10.555 -1.276 1.00 54.43 H new ATOM 0 HG13 VAL A 112 3.057 11.245 -0.789 1.00 54.43 H new ATOM 0 HG21 VAL A 112 3.883 14.184 -1.245 1.00 31.32 H new ATOM 0 HG22 VAL A 112 3.019 13.619 0.205 1.00 31.32 H new ATOM 0 HG23 VAL A 112 4.560 14.493 0.372 1.00 31.32 H new ATOM 1717 N ALA A 113 6.878 10.443 0.875 1.00 54.34 N ATOM 1718 CA ALA A 113 7.592 9.178 0.760 1.00 43.25 C ATOM 1719 C ALA A 113 7.860 8.572 2.133 1.00 42.11 C ATOM 1720 O ALA A 113 8.052 7.362 2.262 1.00 4.33 O ATOM 1721 CB ALA A 113 8.898 9.377 0.004 1.00 21.42 C ATOM 0 H ALA A 113 7.476 11.269 0.854 1.00 54.34 H new ATOM 0 HA ALA A 113 6.964 8.483 0.202 1.00 43.25 H new ATOM 0 HB1 ALA A 113 9.422 8.424 -0.075 1.00 21.42 H new ATOM 0 HB2 ALA A 113 8.686 9.758 -0.995 1.00 21.42 H new ATOM 0 HB3 ALA A 113 9.523 10.091 0.540 1.00 21.42 H new ATOM 1727 N LEU A 114 7.872 9.419 3.156 1.00 45.40 N ATOM 1728 CA LEU A 114 8.118 8.967 4.521 1.00 12.11 C ATOM 1729 C LEU A 114 6.875 8.304 5.106 1.00 22.25 C ATOM 1730 O LEU A 114 6.973 7.417 5.955 1.00 43.02 O ATOM 1731 CB LEU A 114 8.544 10.144 5.400 1.00 12.05 C ATOM 1732 CG LEU A 114 8.546 9.889 6.908 1.00 14.22 C ATOM 1733 CD1 LEU A 114 9.748 9.047 7.306 1.00 73.33 C ATOM 1734 CD2 LEU A 114 8.539 11.206 7.672 1.00 73.45 C ATOM 0 H LEU A 114 7.714 10.423 3.066 1.00 45.40 H new ATOM 0 HA LEU A 114 8.922 8.232 4.495 1.00 12.11 H new ATOM 0 HB2 LEU A 114 9.547 10.450 5.102 1.00 12.05 H new ATOM 0 HB3 LEU A 114 7.880 10.984 5.195 1.00 12.05 H new ATOM 0 HG LEU A 114 7.641 9.338 7.165 1.00 14.22 H new ATOM 0 HD11 LEU A 114 9.732 8.876 8.382 1.00 73.33 H new ATOM 0 HD12 LEU A 114 9.710 8.090 6.786 1.00 73.33 H new ATOM 0 HD13 LEU A 114 10.665 9.571 7.035 1.00 73.33 H new ATOM 0 HD21 LEU A 114 8.541 11.005 8.743 1.00 73.45 H new ATOM 0 HD22 LEU A 114 9.426 11.783 7.410 1.00 73.45 H new ATOM 0 HD23 LEU A 114 7.646 11.774 7.411 1.00 73.45 H new ATOM 1746 N VAL A 115 5.706 8.738 4.646 1.00 2.12 N ATOM 1747 CA VAL A 115 4.444 8.184 5.121 1.00 0.34 C ATOM 1748 C VAL A 115 4.337 6.700 4.792 1.00 33.42 C ATOM 1749 O VAL A 115 3.928 5.897 5.630 1.00 30.51 O ATOM 1750 CB VAL A 115 3.240 8.923 4.507 1.00 2.44 C ATOM 1751 CG1 VAL A 115 1.935 8.303 4.981 1.00 15.40 C ATOM 1752 CG2 VAL A 115 3.293 10.404 4.852 1.00 54.23 C ATOM 0 H VAL A 115 5.607 9.472 3.945 1.00 2.12 H new ATOM 0 HA VAL A 115 4.428 8.315 6.203 1.00 0.34 H new ATOM 0 HB VAL A 115 3.288 8.824 3.423 1.00 2.44 H new ATOM 0 HG11 VAL A 115 1.096 8.838 4.537 1.00 15.40 H new ATOM 0 HG12 VAL A 115 1.899 7.256 4.679 1.00 15.40 H new ATOM 0 HG13 VAL A 115 1.874 8.370 6.067 1.00 15.40 H new ATOM 0 HG21 VAL A 115 2.435 10.911 4.411 1.00 54.23 H new ATOM 0 HG22 VAL A 115 3.269 10.526 5.935 1.00 54.23 H new ATOM 0 HG23 VAL A 115 4.213 10.837 4.458 1.00 54.23 H new ATOM 1762 N GLU A 116 4.707 6.343 3.566 1.00 21.54 N ATOM 1763 CA GLU A 116 4.652 4.953 3.127 1.00 52.32 C ATOM 1764 C GLU A 116 5.897 4.192 3.572 1.00 60.21 C ATOM 1765 O GLU A 116 5.899 2.962 3.628 1.00 75.14 O ATOM 1766 CB GLU A 116 4.514 4.882 1.605 1.00 71.05 C ATOM 1767 CG GLU A 116 5.570 5.682 0.860 1.00 75.33 C ATOM 1768 CD GLU A 116 6.068 4.973 -0.384 1.00 64.35 C ATOM 1769 OE1 GLU A 116 5.244 4.700 -1.282 1.00 32.00 O ATOM 1770 OE2 GLU A 116 7.282 4.691 -0.461 1.00 23.52 O ATOM 0 H GLU A 116 5.048 6.996 2.860 1.00 21.54 H new ATOM 0 HA GLU A 116 3.780 4.487 3.586 1.00 52.32 H new ATOM 0 HB2 GLU A 116 4.572 3.840 1.292 1.00 71.05 H new ATOM 0 HB3 GLU A 116 3.527 5.246 1.321 1.00 71.05 H new ATOM 0 HG2 GLU A 116 5.156 6.651 0.581 1.00 75.33 H new ATOM 0 HG3 GLU A 116 6.411 5.874 1.526 1.00 75.33 H new ATOM 1777 N ARG A 117 6.955 4.932 3.887 1.00 32.11 N ATOM 1778 CA ARG A 117 8.207 4.327 4.325 1.00 0.44 C ATOM 1779 C ARG A 117 7.954 3.261 5.387 1.00 14.21 C ATOM 1780 O ARG A 117 8.500 2.161 5.318 1.00 32.53 O ATOM 1781 CB ARG A 117 9.149 5.399 4.878 1.00 63.42 C ATOM 1782 CG ARG A 117 10.437 5.545 4.084 1.00 62.10 C ATOM 1783 CD ARG A 117 11.659 5.478 4.987 1.00 12.31 C ATOM 1784 NE ARG A 117 12.818 6.134 4.389 1.00 43.43 N ATOM 1785 CZ ARG A 117 13.495 5.636 3.360 1.00 23.23 C ATOM 1786 NH1 ARG A 117 13.130 4.482 2.819 1.00 41.14 N ATOM 1787 NH2 ARG A 117 14.540 6.292 2.871 1.00 32.02 N ATOM 0 H ARG A 117 6.970 5.951 3.847 1.00 32.11 H new ATOM 0 HA ARG A 117 8.673 3.852 3.462 1.00 0.44 H new ATOM 0 HB2 ARG A 117 8.629 6.357 4.890 1.00 63.42 H new ATOM 0 HB3 ARG A 117 9.395 5.157 5.912 1.00 63.42 H new ATOM 0 HG2 ARG A 117 10.494 4.757 3.333 1.00 62.10 H new ATOM 0 HG3 ARG A 117 10.430 6.495 3.549 1.00 62.10 H new ATOM 0 HD2 ARG A 117 11.429 5.949 5.943 1.00 12.31 H new ATOM 0 HD3 ARG A 117 11.900 4.435 5.194 1.00 12.31 H new ATOM 0 HE ARG A 117 13.125 7.023 4.783 1.00 43.43 H new ATOM 0 HH11 ARG A 117 12.328 3.975 3.193 1.00 41.14 H new ATOM 0 HH12 ARG A 117 13.651 4.102 2.029 1.00 41.14 H new ATOM 0 HH21 ARG A 117 14.824 7.180 3.285 1.00 32.02 H new ATOM 0 HH22 ARG A 117 15.059 5.908 2.081 1.00 32.02 H new ATOM 1801 N ALA A 118 7.122 3.596 6.368 1.00 2.33 N ATOM 1802 CA ALA A 118 6.795 2.668 7.443 1.00 24.32 C ATOM 1803 C ALA A 118 5.661 1.734 7.036 1.00 72.31 C ATOM 1804 O ALA A 118 5.713 0.530 7.292 1.00 13.54 O ATOM 1805 CB ALA A 118 6.425 3.431 8.706 1.00 3.41 C ATOM 0 H ALA A 118 6.662 4.504 6.440 1.00 2.33 H new ATOM 0 HA ALA A 118 7.677 2.060 7.645 1.00 24.32 H new ATOM 0 HB1 ALA A 118 6.183 2.725 9.500 1.00 3.41 H new ATOM 0 HB2 ALA A 118 7.266 4.051 9.016 1.00 3.41 H new ATOM 0 HB3 ALA A 118 5.560 4.064 8.508 1.00 3.41 H new ATOM 1811 N ILE A 119 4.637 2.295 6.401 1.00 5.32 N ATOM 1812 CA ILE A 119 3.491 1.512 5.959 1.00 72.24 C ATOM 1813 C ILE A 119 3.933 0.306 5.137 1.00 23.42 C ATOM 1814 O ILE A 119 3.309 -0.754 5.186 1.00 23.32 O ATOM 1815 CB ILE A 119 2.519 2.362 5.119 1.00 35.43 C ATOM 1816 CG1 ILE A 119 2.036 3.569 5.926 1.00 75.05 C ATOM 1817 CG2 ILE A 119 1.339 1.518 4.660 1.00 34.02 C ATOM 1818 CD1 ILE A 119 1.376 4.636 5.080 1.00 62.33 C ATOM 0 H ILE A 119 4.578 3.289 6.181 1.00 5.32 H new ATOM 0 HA ILE A 119 2.978 1.169 6.857 1.00 72.24 H new ATOM 0 HB ILE A 119 3.046 2.726 4.237 1.00 35.43 H new ATOM 0 HG12 ILE A 119 1.330 3.230 6.685 1.00 75.05 H new ATOM 0 HG13 ILE A 119 2.884 4.007 6.452 1.00 75.05 H new ATOM 0 HG21 ILE A 119 0.661 2.132 4.068 1.00 34.02 H new ATOM 0 HG22 ILE A 119 1.700 0.687 4.053 1.00 34.02 H new ATOM 0 HG23 ILE A 119 0.810 1.129 5.530 1.00 34.02 H new ATOM 0 HD11 ILE A 119 1.059 5.461 5.718 1.00 62.33 H new ATOM 0 HD12 ILE A 119 2.085 5.003 4.338 1.00 62.33 H new ATOM 0 HD13 ILE A 119 0.508 4.214 4.574 1.00 62.33 H new ATOM 1830 N SER A 120 5.015 0.474 4.384 1.00 43.32 N ATOM 1831 CA SER A 120 5.541 -0.600 3.550 1.00 61.03 C ATOM 1832 C SER A 120 6.134 -1.713 4.408 1.00 63.32 C ATOM 1833 O SER A 120 5.985 -2.896 4.100 1.00 21.44 O ATOM 1834 CB SER A 120 6.604 -0.057 2.592 1.00 32.42 C ATOM 1835 OG SER A 120 6.374 -0.507 1.268 1.00 42.40 O ATOM 0 H SER A 120 5.545 1.344 4.334 1.00 43.32 H new ATOM 0 HA SER A 120 4.716 -1.013 2.969 1.00 61.03 H new ATOM 0 HB2 SER A 120 6.597 1.033 2.616 1.00 32.42 H new ATOM 0 HB3 SER A 120 7.593 -0.377 2.922 1.00 32.42 H new ATOM 0 HG SER A 120 7.065 -0.145 0.675 1.00 42.40 H new ATOM 1841 N HIS A 121 6.808 -1.326 5.486 1.00 2.50 N ATOM 1842 CA HIS A 121 7.424 -2.290 6.390 1.00 3.03 C ATOM 1843 C HIS A 121 6.396 -3.299 6.891 1.00 34.31 C ATOM 1844 O HIS A 121 6.739 -4.427 7.245 1.00 24.40 O ATOM 1845 CB HIS A 121 8.069 -1.570 7.575 1.00 33.25 C ATOM 1846 CG HIS A 121 8.687 -2.498 8.576 1.00 73.13 C ATOM 1847 ND1 HIS A 121 10.004 -2.900 8.516 1.00 44.13 N ATOM 1848 CD2 HIS A 121 8.160 -3.102 9.666 1.00 30.14 C ATOM 1849 CE1 HIS A 121 10.261 -3.712 9.525 1.00 30.52 C ATOM 1850 NE2 HIS A 121 9.158 -3.851 10.239 1.00 63.20 N ATOM 0 H HIS A 121 6.941 -0.351 5.755 1.00 2.50 H new ATOM 0 HA HIS A 121 8.195 -2.827 5.838 1.00 3.03 H new ATOM 0 HB2 HIS A 121 8.834 -0.889 7.203 1.00 33.25 H new ATOM 0 HB3 HIS A 121 7.315 -0.961 8.074 1.00 33.25 H new ATOM 0 HD2 HIS A 121 7.144 -3.012 10.020 1.00 30.14 H new ATOM 0 HE1 HIS A 121 11.211 -4.182 9.731 1.00 30.52 H new ATOM 0 HE2 HIS A 121 9.063 -4.422 11.079 1.00 63.20 H new