USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 563 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Set 2.1: A 7 ASN : amide:sc= -0.475 K(o=-0.39,f=0.43) USER MOD Set 2.2: A 67 ASN : amide:sc= 0.0819 K(o=-0.39,f=0.43) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0274) USER MOD Single : A 18 CYS SG : rot -100:sc= -0.0277 USER MOD Single : A 23 SER OG : rot 180:sc= -0.243 USER MOD Single : A 28 LYS NZ :NH3+ -178:sc= 0.0626 (180deg=0.0612) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -17:sc= 0.107 USER MOD Single : A 34 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.13) USER MOD Single : A 37 THR OG1 : rot -70:sc= -2.5! USER MOD Single : A 38 GLN : amide:sc= -0.021 X(o=-0.021,f=-0.018) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.01 K(o=-1,f=-2.3!) USER MOD Single : A 46 LYS NZ :NH3+ 174:sc= 0.141 (180deg=0.128) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -54:sc= 0.136 USER MOD Single : A 63 HIS : no HD1:sc=-0.000946 X(o=-0.00095,f=0) USER MOD Single : A 65 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.26) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.387 6.574 6.089 1.00 0.65 N ATOM 2 CA MET A 1 9.444 5.465 5.763 1.00 0.49 C ATOM 3 C MET A 1 8.038 5.805 6.273 1.00 0.44 C ATOM 4 O MET A 1 7.872 6.341 7.354 1.00 0.61 O ATOM 5 CB MET A 1 9.929 4.172 6.422 1.00 0.73 C ATOM 6 CG MET A 1 9.975 3.064 5.373 1.00 0.94 C ATOM 7 SD MET A 1 10.679 1.566 6.099 1.00 1.35 S ATOM 8 CE MET A 1 11.029 0.730 4.533 1.00 1.70 C ATOM 0 H1 MET A 1 11.337 6.336 5.740 1.00 0.65 H new ATOM 0 H2 MET A 1 10.061 7.451 5.635 1.00 0.65 H new ATOM 0 H3 MET A 1 10.421 6.709 7.120 1.00 0.65 H new ATOM 0 HA MET A 1 9.408 5.333 4.682 1.00 0.49 H new ATOM 0 HB2 MET A 1 10.918 4.319 6.857 1.00 0.73 H new ATOM 0 HB3 MET A 1 9.261 3.891 7.236 1.00 0.73 H new ATOM 0 HG2 MET A 1 8.971 2.862 5.000 1.00 0.94 H new ATOM 0 HG3 MET A 1 10.574 3.382 4.520 1.00 0.94 H new ATOM 0 HE1 MET A 1 11.480 -0.242 4.732 1.00 1.70 H new ATOM 0 HE2 MET A 1 10.101 0.593 3.979 1.00 1.70 H new ATOM 0 HE3 MET A 1 11.718 1.335 3.943 1.00 1.70 H new ATOM 18 N ILE A 2 7.025 5.489 5.497 1.00 0.35 N ATOM 19 CA ILE A 2 5.619 5.782 5.922 1.00 0.36 C ATOM 20 C ILE A 2 4.805 4.483 5.955 1.00 0.35 C ATOM 21 O ILE A 2 5.188 3.483 5.373 1.00 0.37 O ATOM 22 CB ILE A 2 4.966 6.771 4.943 1.00 0.38 C ATOM 23 CG1 ILE A 2 4.960 6.186 3.523 1.00 0.39 C ATOM 24 CG2 ILE A 2 5.745 8.088 4.941 1.00 0.42 C ATOM 25 CD1 ILE A 2 3.847 6.844 2.704 1.00 0.54 C ATOM 0 H ILE A 2 7.114 5.040 4.586 1.00 0.35 H new ATOM 0 HA ILE A 2 5.638 6.224 6.918 1.00 0.36 H new ATOM 0 HB ILE A 2 3.939 6.952 5.262 1.00 0.38 H new ATOM 0 HG12 ILE A 2 5.925 6.354 3.045 1.00 0.39 H new ATOM 0 HG13 ILE A 2 4.807 5.107 3.563 1.00 0.39 H new ATOM 0 HG21 ILE A 2 5.278 8.786 4.246 1.00 0.42 H new ATOM 0 HG22 ILE A 2 5.739 8.516 5.943 1.00 0.42 H new ATOM 0 HG23 ILE A 2 6.774 7.902 4.633 1.00 0.42 H new ATOM 0 HD11 ILE A 2 3.843 6.429 1.696 1.00 0.54 H new ATOM 0 HD12 ILE A 2 2.885 6.654 3.179 1.00 0.54 H new ATOM 0 HD13 ILE A 2 4.020 7.919 2.653 1.00 0.54 H new ATOM 37 N GLU A 3 3.681 4.498 6.629 1.00 0.38 N ATOM 38 CA GLU A 3 2.823 3.277 6.710 1.00 0.40 C ATOM 39 C GLU A 3 1.490 3.559 6.011 1.00 0.39 C ATOM 40 O GLU A 3 0.791 4.497 6.347 1.00 0.56 O ATOM 41 CB GLU A 3 2.579 2.925 8.182 1.00 0.52 C ATOM 42 CG GLU A 3 2.511 1.402 8.348 1.00 0.60 C ATOM 43 CD GLU A 3 1.086 0.914 8.066 1.00 0.57 C ATOM 44 OE1 GLU A 3 0.232 1.106 8.919 1.00 0.87 O ATOM 45 OE2 GLU A 3 0.871 0.352 7.005 1.00 0.71 O ATOM 0 H GLU A 3 3.320 5.310 7.130 1.00 0.38 H new ATOM 0 HA GLU A 3 3.318 2.438 6.221 1.00 0.40 H new ATOM 0 HB2 GLU A 3 3.379 3.332 8.800 1.00 0.52 H new ATOM 0 HB3 GLU A 3 1.649 3.379 8.525 1.00 0.52 H new ATOM 0 HG2 GLU A 3 3.212 0.921 7.666 1.00 0.60 H new ATOM 0 HG3 GLU A 3 2.808 1.123 9.359 1.00 0.60 H new ATOM 52 N VAL A 4 1.139 2.758 5.034 1.00 0.32 N ATOM 53 CA VAL A 4 -0.146 2.978 4.298 1.00 0.31 C ATOM 54 C VAL A 4 -1.042 1.741 4.433 1.00 0.30 C ATOM 55 O VAL A 4 -0.566 0.622 4.514 1.00 0.40 O ATOM 56 CB VAL A 4 0.142 3.244 2.812 1.00 0.33 C ATOM 57 CG1 VAL A 4 0.946 4.541 2.663 1.00 0.41 C ATOM 58 CG2 VAL A 4 0.947 2.083 2.221 1.00 0.41 C ATOM 0 H VAL A 4 1.688 1.960 4.714 1.00 0.32 H new ATOM 0 HA VAL A 4 -0.656 3.841 4.726 1.00 0.31 H new ATOM 0 HB VAL A 4 -0.805 3.338 2.281 1.00 0.33 H new ATOM 0 HG11 VAL A 4 1.148 4.725 1.608 1.00 0.41 H new ATOM 0 HG12 VAL A 4 0.374 5.373 3.074 1.00 0.41 H new ATOM 0 HG13 VAL A 4 1.889 4.448 3.202 1.00 0.41 H new ATOM 0 HG21 VAL A 4 1.147 2.278 1.168 1.00 0.41 H new ATOM 0 HG22 VAL A 4 1.891 1.984 2.758 1.00 0.41 H new ATOM 0 HG23 VAL A 4 0.377 1.159 2.317 1.00 0.41 H new ATOM 68 N VAL A 5 -2.339 1.939 4.453 1.00 0.27 N ATOM 69 CA VAL A 5 -3.281 0.784 4.578 1.00 0.29 C ATOM 70 C VAL A 5 -3.928 0.506 3.216 1.00 0.30 C ATOM 71 O VAL A 5 -4.296 1.419 2.500 1.00 0.45 O ATOM 72 CB VAL A 5 -4.369 1.105 5.615 1.00 0.33 C ATOM 73 CG1 VAL A 5 -3.727 1.278 6.995 1.00 0.37 C ATOM 74 CG2 VAL A 5 -5.100 2.399 5.235 1.00 0.38 C ATOM 0 H VAL A 5 -2.786 2.854 4.388 1.00 0.27 H new ATOM 0 HA VAL A 5 -2.730 -0.098 4.906 1.00 0.29 H new ATOM 0 HB VAL A 5 -5.084 0.283 5.639 1.00 0.33 H new ATOM 0 HG11 VAL A 5 -4.499 1.506 7.730 1.00 0.37 H new ATOM 0 HG12 VAL A 5 -3.218 0.357 7.277 1.00 0.37 H new ATOM 0 HG13 VAL A 5 -3.006 2.095 6.961 1.00 0.37 H new ATOM 0 HG21 VAL A 5 -5.868 2.615 5.978 1.00 0.38 H new ATOM 0 HG22 VAL A 5 -4.387 3.223 5.200 1.00 0.38 H new ATOM 0 HG23 VAL A 5 -5.565 2.280 4.256 1.00 0.38 H new ATOM 84 N VAL A 6 -4.071 -0.746 2.852 1.00 0.27 N ATOM 85 CA VAL A 6 -4.701 -1.079 1.536 1.00 0.27 C ATOM 86 C VAL A 6 -6.010 -1.837 1.774 1.00 0.27 C ATOM 87 O VAL A 6 -6.040 -2.852 2.449 1.00 0.34 O ATOM 88 CB VAL A 6 -3.743 -1.928 0.683 1.00 0.31 C ATOM 89 CG1 VAL A 6 -2.504 -1.099 0.329 1.00 0.43 C ATOM 90 CG2 VAL A 6 -3.312 -3.183 1.454 1.00 0.37 C ATOM 0 H VAL A 6 -3.779 -1.550 3.408 1.00 0.27 H new ATOM 0 HA VAL A 6 -4.913 -0.155 0.998 1.00 0.27 H new ATOM 0 HB VAL A 6 -4.258 -2.232 -0.228 1.00 0.31 H new ATOM 0 HG11 VAL A 6 -1.825 -1.700 -0.275 1.00 0.43 H new ATOM 0 HG12 VAL A 6 -2.806 -0.216 -0.234 1.00 0.43 H new ATOM 0 HG13 VAL A 6 -1.999 -0.791 1.244 1.00 0.43 H new ATOM 0 HG21 VAL A 6 -2.634 -3.774 0.838 1.00 0.37 H new ATOM 0 HG22 VAL A 6 -2.804 -2.889 2.373 1.00 0.37 H new ATOM 0 HG23 VAL A 6 -4.191 -3.779 1.700 1.00 0.37 H new ATOM 100 N ASN A 7 -7.095 -1.342 1.225 1.00 0.31 N ATOM 101 CA ASN A 7 -8.419 -2.012 1.410 1.00 0.34 C ATOM 102 C ASN A 7 -8.781 -2.765 0.125 1.00 0.33 C ATOM 103 O ASN A 7 -8.938 -2.170 -0.928 1.00 0.42 O ATOM 104 CB ASN A 7 -9.502 -0.965 1.711 1.00 0.47 C ATOM 105 CG ASN A 7 -8.926 0.164 2.579 1.00 0.67 C ATOM 106 OD1 ASN A 7 -8.960 1.315 2.193 1.00 1.65 O ATOM 107 ND2 ASN A 7 -8.397 -0.117 3.741 1.00 0.85 N ATOM 0 H ASN A 7 -7.118 -0.497 0.654 1.00 0.31 H new ATOM 0 HA ASN A 7 -8.358 -2.709 2.246 1.00 0.34 H new ATOM 0 HB2 ASN A 7 -9.889 -0.554 0.779 1.00 0.47 H new ATOM 0 HB3 ASN A 7 -10.340 -1.436 2.224 1.00 0.47 H new ATOM 0 HD21 ASN A 7 -8.014 0.630 4.321 1.00 0.85 H new ATOM 0 HD22 ASN A 7 -8.367 -1.083 4.068 1.00 0.85 H new ATOM 114 N ASP A 8 -8.904 -4.068 0.203 1.00 0.34 N ATOM 115 CA ASP A 8 -9.243 -4.870 -1.011 1.00 0.40 C ATOM 116 C ASP A 8 -10.753 -4.820 -1.282 1.00 0.47 C ATOM 117 O ASP A 8 -11.558 -4.718 -0.372 1.00 0.56 O ATOM 118 CB ASP A 8 -8.804 -6.322 -0.807 1.00 0.49 C ATOM 119 CG ASP A 8 -8.754 -7.035 -2.161 1.00 0.61 C ATOM 120 OD1 ASP A 8 -7.830 -6.773 -2.916 1.00 0.68 O ATOM 121 OD2 ASP A 8 -9.643 -7.831 -2.423 1.00 0.90 O ATOM 0 H ASP A 8 -8.784 -4.611 1.058 1.00 0.34 H new ATOM 0 HA ASP A 8 -8.719 -4.447 -1.868 1.00 0.40 H new ATOM 0 HB2 ASP A 8 -7.824 -6.353 -0.331 1.00 0.49 H new ATOM 0 HB3 ASP A 8 -9.499 -6.833 -0.140 1.00 0.49 H new ATOM 198 N LYS A 13 -7.907 -6.083 4.511 1.00 0.42 N ATOM 199 CA LYS A 13 -7.157 -4.870 4.947 1.00 0.37 C ATOM 200 C LYS A 13 -5.733 -5.277 5.337 1.00 0.33 C ATOM 201 O LYS A 13 -5.528 -6.002 6.296 1.00 0.47 O ATOM 202 CB LYS A 13 -7.866 -4.240 6.149 1.00 0.46 C ATOM 203 CG LYS A 13 -8.903 -3.231 5.655 1.00 0.56 C ATOM 204 CD LYS A 13 -10.282 -3.892 5.614 1.00 0.77 C ATOM 205 CE LYS A 13 -11.069 -3.344 4.422 1.00 1.10 C ATOM 206 NZ LYS A 13 -11.956 -4.409 3.869 1.00 1.25 N ATOM 0 HA LYS A 13 -7.118 -4.144 4.135 1.00 0.37 H new ATOM 0 HB2 LYS A 13 -8.350 -5.013 6.746 1.00 0.46 H new ATOM 0 HB3 LYS A 13 -7.141 -3.746 6.795 1.00 0.46 H new ATOM 0 HG2 LYS A 13 -8.924 -2.363 6.314 1.00 0.56 H new ATOM 0 HG3 LYS A 13 -8.631 -2.871 4.663 1.00 0.56 H new ATOM 0 HD2 LYS A 13 -10.177 -4.974 5.529 1.00 0.77 H new ATOM 0 HD3 LYS A 13 -10.820 -3.695 6.541 1.00 0.77 H new ATOM 0 HE2 LYS A 13 -11.665 -2.486 4.732 1.00 1.10 H new ATOM 0 HE3 LYS A 13 -10.382 -2.993 3.651 1.00 1.10 H new ATOM 0 HZ1 LYS A 13 -12.488 -4.032 3.059 1.00 1.25 H new ATOM 0 HZ2 LYS A 13 -11.378 -5.215 3.557 1.00 1.25 H new ATOM 0 HZ3 LYS A 13 -12.621 -4.723 4.604 1.00 1.25 H new ATOM 220 N VAL A 14 -4.752 -4.825 4.591 1.00 0.28 N ATOM 221 CA VAL A 14 -3.334 -5.190 4.899 1.00 0.28 C ATOM 222 C VAL A 14 -2.526 -3.923 5.220 1.00 0.26 C ATOM 223 O VAL A 14 -2.798 -2.852 4.705 1.00 0.32 O ATOM 224 CB VAL A 14 -2.720 -5.905 3.687 1.00 0.35 C ATOM 225 CG1 VAL A 14 -1.331 -6.441 4.046 1.00 0.52 C ATOM 226 CG2 VAL A 14 -3.620 -7.076 3.274 1.00 0.48 C ATOM 0 H VAL A 14 -4.874 -4.218 3.781 1.00 0.28 H new ATOM 0 HA VAL A 14 -3.310 -5.853 5.764 1.00 0.28 H new ATOM 0 HB VAL A 14 -2.633 -5.197 2.863 1.00 0.35 H new ATOM 0 HG11 VAL A 14 -0.902 -6.947 3.181 1.00 0.52 H new ATOM 0 HG12 VAL A 14 -0.686 -5.613 4.339 1.00 0.52 H new ATOM 0 HG13 VAL A 14 -1.416 -7.145 4.874 1.00 0.52 H new ATOM 0 HG21 VAL A 14 -3.184 -7.584 2.414 1.00 0.48 H new ATOM 0 HG22 VAL A 14 -3.708 -7.778 4.103 1.00 0.48 H new ATOM 0 HG23 VAL A 14 -4.609 -6.700 3.011 1.00 0.48 H new ATOM 236 N ARG A 15 -1.532 -4.048 6.070 1.00 0.30 N ATOM 237 CA ARG A 15 -0.687 -2.868 6.439 1.00 0.34 C ATOM 238 C ARG A 15 0.693 -3.020 5.794 1.00 0.37 C ATOM 239 O ARG A 15 1.345 -4.039 5.942 1.00 0.54 O ATOM 240 CB ARG A 15 -0.521 -2.787 7.962 1.00 0.42 C ATOM 241 CG ARG A 15 -1.831 -3.160 8.658 1.00 0.70 C ATOM 242 CD ARG A 15 -2.637 -1.897 8.927 1.00 1.09 C ATOM 243 NE ARG A 15 -4.073 -2.255 9.022 1.00 1.80 N ATOM 244 CZ ARG A 15 -4.973 -1.377 8.703 1.00 2.51 C ATOM 245 NH1 ARG A 15 -5.370 -1.277 7.460 1.00 3.21 N ATOM 246 NH2 ARG A 15 -5.460 -0.590 9.625 1.00 2.82 N ATOM 0 H ARG A 15 -1.270 -4.922 6.526 1.00 0.30 H new ATOM 0 HA ARG A 15 -1.172 -1.959 6.085 1.00 0.34 H new ATOM 0 HB2 ARG A 15 0.274 -3.459 8.284 1.00 0.42 H new ATOM 0 HB3 ARG A 15 -0.223 -1.779 8.249 1.00 0.42 H new ATOM 0 HG2 ARG A 15 -2.405 -3.845 8.034 1.00 0.70 H new ATOM 0 HG3 ARG A 15 -1.624 -3.679 9.594 1.00 0.70 H new ATOM 0 HD2 ARG A 15 -2.304 -1.427 9.852 1.00 1.09 H new ATOM 0 HD3 ARG A 15 -2.481 -1.173 8.127 1.00 1.09 H new ATOM 0 HE ARG A 15 -4.351 -3.185 9.336 1.00 1.80 H new ATOM 0 HH11 ARG A 15 -4.972 -1.888 6.747 1.00 3.21 H new ATOM 0 HH12 ARG A 15 -6.077 -0.588 7.204 1.00 3.21 H new ATOM 0 HH21 ARG A 15 -5.132 -0.668 10.588 1.00 2.82 H new ATOM 0 HH22 ARG A 15 -6.168 0.103 9.382 1.00 2.82 H new ATOM 260 N VAL A 16 1.138 -2.016 5.082 1.00 0.28 N ATOM 261 CA VAL A 16 2.475 -2.093 4.418 1.00 0.32 C ATOM 262 C VAL A 16 3.194 -0.742 4.555 1.00 0.31 C ATOM 263 O VAL A 16 2.602 0.307 4.371 1.00 0.36 O ATOM 264 CB VAL A 16 2.282 -2.456 2.935 1.00 0.34 C ATOM 265 CG1 VAL A 16 1.456 -1.377 2.226 1.00 0.34 C ATOM 266 CG2 VAL A 16 3.645 -2.582 2.247 1.00 0.46 C ATOM 0 H VAL A 16 0.632 -1.144 4.931 1.00 0.28 H new ATOM 0 HA VAL A 16 3.085 -2.861 4.894 1.00 0.32 H new ATOM 0 HB VAL A 16 1.754 -3.408 2.877 1.00 0.34 H new ATOM 0 HG11 VAL A 16 1.328 -1.647 1.178 1.00 0.34 H new ATOM 0 HG12 VAL A 16 0.479 -1.295 2.702 1.00 0.34 H new ATOM 0 HG13 VAL A 16 1.973 -0.420 2.293 1.00 0.34 H new ATOM 0 HG21 VAL A 16 3.501 -2.839 1.198 1.00 0.46 H new ATOM 0 HG22 VAL A 16 4.178 -1.634 2.318 1.00 0.46 H new ATOM 0 HG23 VAL A 16 4.228 -3.363 2.735 1.00 0.46 H new ATOM 276 N LYS A 17 4.468 -0.764 4.884 1.00 0.35 N ATOM 277 CA LYS A 17 5.232 0.516 5.040 1.00 0.38 C ATOM 278 C LYS A 17 6.320 0.619 3.961 1.00 0.36 C ATOM 279 O LYS A 17 7.021 -0.336 3.675 1.00 0.47 O ATOM 280 CB LYS A 17 5.874 0.583 6.436 1.00 0.51 C ATOM 281 CG LYS A 17 6.784 -0.631 6.671 1.00 0.59 C ATOM 282 CD LYS A 17 6.344 -1.361 7.944 1.00 0.78 C ATOM 283 CE LYS A 17 5.701 -2.699 7.572 1.00 1.05 C ATOM 284 NZ LYS A 17 4.217 -2.592 7.688 1.00 1.39 N ATOM 0 H LYS A 17 5.009 -1.613 5.050 1.00 0.35 H new ATOM 0 HA LYS A 17 4.540 1.351 4.927 1.00 0.38 H new ATOM 0 HB2 LYS A 17 6.452 1.502 6.533 1.00 0.51 H new ATOM 0 HB3 LYS A 17 5.096 0.614 7.199 1.00 0.51 H new ATOM 0 HG2 LYS A 17 6.735 -1.306 5.817 1.00 0.59 H new ATOM 0 HG3 LYS A 17 7.821 -0.309 6.764 1.00 0.59 H new ATOM 0 HD2 LYS A 17 7.202 -1.527 8.595 1.00 0.78 H new ATOM 0 HD3 LYS A 17 5.635 -0.748 8.501 1.00 0.78 H new ATOM 0 HE2 LYS A 17 5.977 -2.976 6.555 1.00 1.05 H new ATOM 0 HE3 LYS A 17 6.071 -3.487 8.228 1.00 1.05 H new ATOM 0 HZ1 LYS A 17 3.776 -3.453 7.307 1.00 1.39 H new ATOM 0 HZ2 LYS A 17 3.954 -2.482 8.688 1.00 1.39 H new ATOM 0 HZ3 LYS A 17 3.885 -1.766 7.150 1.00 1.39 H new ATOM 298 N CYS A 18 6.459 1.782 3.367 1.00 0.32 N ATOM 299 CA CYS A 18 7.495 1.984 2.305 1.00 0.33 C ATOM 300 C CYS A 18 7.929 3.456 2.283 1.00 0.32 C ATOM 301 O CYS A 18 7.239 4.324 2.792 1.00 0.46 O ATOM 302 CB CYS A 18 6.912 1.603 0.940 1.00 0.36 C ATOM 303 SG CYS A 18 7.859 0.228 0.242 1.00 0.82 S ATOM 0 H CYS A 18 5.894 2.605 3.575 1.00 0.32 H new ATOM 0 HA CYS A 18 8.359 1.354 2.519 1.00 0.33 H new ATOM 0 HB2 CYS A 18 5.865 1.320 1.046 1.00 0.36 H new ATOM 0 HB3 CYS A 18 6.944 2.460 0.267 1.00 0.36 H new ATOM 0 HG CYS A 18 8.702 0.683 -0.637 1.00 0.82 H new ATOM 309 N LEU A 19 9.066 3.742 1.694 1.00 0.35 N ATOM 310 CA LEU A 19 9.552 5.153 1.631 1.00 0.34 C ATOM 311 C LEU A 19 8.872 5.884 0.467 1.00 0.32 C ATOM 312 O LEU A 19 8.552 5.289 -0.548 1.00 0.38 O ATOM 313 CB LEU A 19 11.068 5.158 1.418 1.00 0.39 C ATOM 314 CG LEU A 19 11.768 5.628 2.695 1.00 0.68 C ATOM 315 CD1 LEU A 19 13.076 4.855 2.873 1.00 1.06 C ATOM 316 CD2 LEU A 19 12.074 7.125 2.586 1.00 1.12 C ATOM 0 H LEU A 19 9.678 3.055 1.254 1.00 0.35 H new ATOM 0 HA LEU A 19 9.310 5.660 2.565 1.00 0.34 H new ATOM 0 HB2 LEU A 19 11.411 4.158 1.151 1.00 0.39 H new ATOM 0 HB3 LEU A 19 11.326 5.815 0.588 1.00 0.39 H new ATOM 0 HG LEU A 19 11.119 5.449 3.552 1.00 0.68 H new ATOM 0 HD11 LEU A 19 13.575 5.189 3.782 1.00 1.06 H new ATOM 0 HD12 LEU A 19 12.861 3.789 2.948 1.00 1.06 H new ATOM 0 HD13 LEU A 19 13.725 5.035 2.016 1.00 1.06 H new ATOM 0 HD21 LEU A 19 12.573 7.462 3.495 1.00 1.12 H new ATOM 0 HD22 LEU A 19 12.724 7.302 1.729 1.00 1.12 H new ATOM 0 HD23 LEU A 19 11.144 7.678 2.457 1.00 1.12 H new ATOM 328 N ALA A 20 8.658 7.171 0.608 1.00 0.33 N ATOM 329 CA ALA A 20 8.007 7.960 -0.486 1.00 0.39 C ATOM 330 C ALA A 20 8.915 7.980 -1.727 1.00 0.40 C ATOM 331 O ALA A 20 8.453 8.184 -2.836 1.00 0.46 O ATOM 332 CB ALA A 20 7.765 9.394 -0.008 1.00 0.47 C ATOM 0 H ALA A 20 8.907 7.711 1.437 1.00 0.33 H new ATOM 0 HA ALA A 20 7.055 7.496 -0.745 1.00 0.39 H new ATOM 0 HB1 ALA A 20 7.291 9.968 -0.804 1.00 0.47 H new ATOM 0 HB2 ALA A 20 7.114 9.381 0.866 1.00 0.47 H new ATOM 0 HB3 ALA A 20 8.717 9.855 0.255 1.00 0.47 H new ATOM 338 N GLU A 21 10.201 7.757 -1.549 1.00 0.41 N ATOM 339 CA GLU A 21 11.142 7.749 -2.710 1.00 0.47 C ATOM 340 C GLU A 21 11.049 6.404 -3.442 1.00 0.44 C ATOM 341 O GLU A 21 11.386 6.305 -4.608 1.00 0.49 O ATOM 342 CB GLU A 21 12.580 7.968 -2.216 1.00 0.57 C ATOM 343 CG GLU A 21 12.974 6.865 -1.222 1.00 0.57 C ATOM 344 CD GLU A 21 13.978 5.908 -1.876 1.00 0.70 C ATOM 345 OE1 GLU A 21 15.146 6.258 -1.940 1.00 0.97 O ATOM 346 OE2 GLU A 21 13.562 4.841 -2.298 1.00 0.78 O ATOM 0 H GLU A 21 10.636 7.580 -0.643 1.00 0.41 H new ATOM 0 HA GLU A 21 10.871 8.552 -3.395 1.00 0.47 H new ATOM 0 HB2 GLU A 21 13.267 7.967 -3.062 1.00 0.57 H new ATOM 0 HB3 GLU A 21 12.663 8.944 -1.739 1.00 0.57 H new ATOM 0 HG2 GLU A 21 13.411 7.309 -0.327 1.00 0.57 H new ATOM 0 HG3 GLU A 21 12.088 6.315 -0.905 1.00 0.57 H new ATOM 353 N ASP A 22 10.596 5.370 -2.765 1.00 0.40 N ATOM 354 CA ASP A 22 10.479 4.032 -3.417 1.00 0.42 C ATOM 355 C ASP A 22 9.415 4.092 -4.518 1.00 0.36 C ATOM 356 O ASP A 22 8.471 4.860 -4.441 1.00 0.43 O ATOM 357 CB ASP A 22 10.083 2.978 -2.376 1.00 0.45 C ATOM 358 CG ASP A 22 11.346 2.358 -1.769 1.00 0.57 C ATOM 359 OD1 ASP A 22 11.881 1.440 -2.371 1.00 0.76 O ATOM 360 OD2 ASP A 22 11.757 2.811 -0.714 1.00 0.72 O ATOM 0 H ASP A 22 10.303 5.401 -1.788 1.00 0.40 H new ATOM 0 HA ASP A 22 11.440 3.759 -3.853 1.00 0.42 H new ATOM 0 HB2 ASP A 22 9.477 3.434 -1.593 1.00 0.45 H new ATOM 0 HB3 ASP A 22 9.473 2.204 -2.841 1.00 0.45 H new ATOM 365 N SER A 23 9.568 3.294 -5.544 1.00 0.33 N ATOM 366 CA SER A 23 8.576 3.306 -6.661 1.00 0.31 C ATOM 367 C SER A 23 7.435 2.325 -6.372 1.00 0.28 C ATOM 368 O SER A 23 7.516 1.505 -5.473 1.00 0.33 O ATOM 369 CB SER A 23 9.273 2.909 -7.965 1.00 0.37 C ATOM 370 OG SER A 23 9.185 3.987 -8.890 1.00 0.70 O ATOM 0 H SER A 23 10.338 2.634 -5.656 1.00 0.33 H new ATOM 0 HA SER A 23 8.162 4.310 -6.755 1.00 0.31 H new ATOM 0 HB2 SER A 23 10.317 2.663 -7.773 1.00 0.37 H new ATOM 0 HB3 SER A 23 8.807 2.017 -8.383 1.00 0.37 H new ATOM 0 HG SER A 23 9.631 3.738 -9.726 1.00 0.70 H new ATOM 376 N VAL A 24 6.371 2.404 -7.143 1.00 0.29 N ATOM 377 CA VAL A 24 5.213 1.477 -6.940 1.00 0.32 C ATOM 378 C VAL A 24 5.693 0.029 -7.119 1.00 0.34 C ATOM 379 O VAL A 24 5.184 -0.876 -6.487 1.00 0.39 O ATOM 380 CB VAL A 24 4.108 1.799 -7.952 1.00 0.38 C ATOM 381 CG1 VAL A 24 2.957 0.800 -7.802 1.00 0.47 C ATOM 382 CG2 VAL A 24 3.583 3.217 -7.701 1.00 0.41 C ATOM 0 H VAL A 24 6.258 3.073 -7.905 1.00 0.29 H new ATOM 0 HA VAL A 24 4.811 1.602 -5.935 1.00 0.32 H new ATOM 0 HB VAL A 24 4.516 1.730 -8.960 1.00 0.38 H new ATOM 0 HG11 VAL A 24 2.175 1.035 -8.524 1.00 0.47 H new ATOM 0 HG12 VAL A 24 3.326 -0.210 -7.982 1.00 0.47 H new ATOM 0 HG13 VAL A 24 2.550 0.863 -6.793 1.00 0.47 H new ATOM 0 HG21 VAL A 24 2.797 3.447 -8.420 1.00 0.41 H new ATOM 0 HG22 VAL A 24 3.180 3.282 -6.690 1.00 0.41 H new ATOM 0 HG23 VAL A 24 4.398 3.932 -7.813 1.00 0.41 H new ATOM 392 N GLY A 25 6.687 -0.188 -7.958 1.00 0.35 N ATOM 393 CA GLY A 25 7.225 -1.570 -8.159 1.00 0.41 C ATOM 394 C GLY A 25 7.720 -2.110 -6.812 1.00 0.39 C ATOM 395 O GLY A 25 7.426 -3.232 -6.441 1.00 0.43 O ATOM 0 H GLY A 25 7.146 0.537 -8.510 1.00 0.35 H new ATOM 0 HA2 GLY A 25 6.450 -2.221 -8.565 1.00 0.41 H new ATOM 0 HA3 GLY A 25 8.040 -1.556 -8.882 1.00 0.41 H new ATOM 399 N ASP A 26 8.451 -1.304 -6.072 1.00 0.38 N ATOM 400 CA ASP A 26 8.953 -1.744 -4.732 1.00 0.40 C ATOM 401 C ASP A 26 7.770 -1.825 -3.757 1.00 0.36 C ATOM 402 O ASP A 26 7.708 -2.701 -2.915 1.00 0.39 O ATOM 403 CB ASP A 26 9.980 -0.733 -4.210 1.00 0.44 C ATOM 404 CG ASP A 26 10.792 -1.363 -3.073 1.00 0.51 C ATOM 405 OD1 ASP A 26 10.367 -1.251 -1.934 1.00 0.64 O ATOM 406 OD2 ASP A 26 11.826 -1.944 -3.360 1.00 0.71 O ATOM 0 H ASP A 26 8.721 -0.358 -6.342 1.00 0.38 H new ATOM 0 HA ASP A 26 9.426 -2.722 -4.820 1.00 0.40 H new ATOM 0 HB2 ASP A 26 10.645 -0.425 -5.017 1.00 0.44 H new ATOM 0 HB3 ASP A 26 9.473 0.164 -3.854 1.00 0.44 H new ATOM 411 N PHE A 27 6.831 -0.916 -3.880 1.00 0.33 N ATOM 412 CA PHE A 27 5.633 -0.916 -2.986 1.00 0.32 C ATOM 413 C PHE A 27 4.819 -2.204 -3.207 1.00 0.30 C ATOM 414 O PHE A 27 4.221 -2.734 -2.288 1.00 0.32 O ATOM 415 CB PHE A 27 4.771 0.308 -3.322 1.00 0.33 C ATOM 416 CG PHE A 27 3.597 0.399 -2.377 1.00 0.31 C ATOM 417 CD1 PHE A 27 3.811 0.503 -0.998 1.00 0.41 C ATOM 418 CD2 PHE A 27 2.294 0.384 -2.884 1.00 0.43 C ATOM 419 CE1 PHE A 27 2.721 0.591 -0.126 1.00 0.46 C ATOM 420 CE2 PHE A 27 1.203 0.472 -2.013 1.00 0.50 C ATOM 421 CZ PHE A 27 1.416 0.576 -0.635 1.00 0.45 C ATOM 0 H PHE A 27 6.846 -0.166 -4.571 1.00 0.33 H new ATOM 0 HA PHE A 27 5.947 -0.874 -1.943 1.00 0.32 H new ATOM 0 HB2 PHE A 27 5.372 1.214 -3.254 1.00 0.33 H new ATOM 0 HB3 PHE A 27 4.415 0.239 -4.350 1.00 0.33 H new ATOM 0 HD1 PHE A 27 4.818 0.515 -0.607 1.00 0.41 H new ATOM 0 HD2 PHE A 27 2.130 0.304 -3.948 1.00 0.43 H new ATOM 0 HE1 PHE A 27 2.885 0.670 0.938 1.00 0.46 H new ATOM 0 HE2 PHE A 27 0.197 0.460 -2.405 1.00 0.50 H new ATOM 0 HZ PHE A 27 0.574 0.645 0.037 1.00 0.45 H new ATOM 431 N LYS A 28 4.795 -2.704 -4.423 1.00 0.32 N ATOM 432 CA LYS A 28 4.027 -3.949 -4.724 1.00 0.33 C ATOM 433 C LYS A 28 4.812 -5.182 -4.266 1.00 0.33 C ATOM 434 O LYS A 28 4.238 -6.124 -3.750 1.00 0.36 O ATOM 435 CB LYS A 28 3.775 -4.036 -6.230 1.00 0.38 C ATOM 436 CG LYS A 28 2.595 -3.138 -6.597 1.00 0.45 C ATOM 437 CD LYS A 28 1.794 -3.783 -7.728 1.00 0.68 C ATOM 438 CE LYS A 28 0.932 -2.722 -8.415 1.00 1.04 C ATOM 439 NZ LYS A 28 1.289 -2.652 -9.861 1.00 1.79 N ATOM 0 H LYS A 28 5.280 -2.297 -5.223 1.00 0.32 H new ATOM 0 HA LYS A 28 3.077 -3.918 -4.190 1.00 0.33 H new ATOM 0 HB2 LYS A 28 4.666 -3.728 -6.778 1.00 0.38 H new ATOM 0 HB3 LYS A 28 3.565 -5.067 -6.516 1.00 0.38 H new ATOM 0 HG2 LYS A 28 1.957 -2.985 -5.727 1.00 0.45 H new ATOM 0 HG3 LYS A 28 2.954 -2.156 -6.906 1.00 0.45 H new ATOM 0 HD2 LYS A 28 2.469 -4.241 -8.450 1.00 0.68 H new ATOM 0 HD3 LYS A 28 1.163 -4.579 -7.333 1.00 0.68 H new ATOM 0 HE2 LYS A 28 -0.124 -2.967 -8.302 1.00 1.04 H new ATOM 0 HE3 LYS A 28 1.087 -1.751 -7.944 1.00 1.04 H new ATOM 0 HZ1 LYS A 28 0.728 -1.908 -10.322 1.00 1.79 H new ATOM 0 HZ2 LYS A 28 2.301 -2.433 -9.959 1.00 1.79 H new ATOM 0 HZ3 LYS A 28 1.088 -3.567 -10.313 1.00 1.79 H new ATOM 453 N LYS A 29 6.116 -5.188 -4.447 1.00 0.34 N ATOM 454 CA LYS A 29 6.931 -6.369 -4.014 1.00 0.36 C ATOM 455 C LYS A 29 6.874 -6.503 -2.483 1.00 0.32 C ATOM 456 O LYS A 29 6.984 -7.590 -1.948 1.00 0.35 O ATOM 457 CB LYS A 29 8.384 -6.209 -4.488 1.00 0.43 C ATOM 458 CG LYS A 29 9.110 -5.149 -3.656 1.00 0.46 C ATOM 459 CD LYS A 29 10.600 -5.489 -3.582 1.00 0.83 C ATOM 460 CE LYS A 29 11.135 -5.129 -2.197 1.00 0.89 C ATOM 461 NZ LYS A 29 12.559 -5.556 -2.088 1.00 1.38 N ATOM 0 H LYS A 29 6.647 -4.429 -4.874 1.00 0.34 H new ATOM 0 HA LYS A 29 6.521 -7.274 -4.462 1.00 0.36 H new ATOM 0 HB2 LYS A 29 8.906 -7.163 -4.407 1.00 0.43 H new ATOM 0 HB3 LYS A 29 8.400 -5.926 -5.541 1.00 0.43 H new ATOM 0 HG2 LYS A 29 8.973 -4.164 -4.103 1.00 0.46 H new ATOM 0 HG3 LYS A 29 8.686 -5.106 -2.653 1.00 0.46 H new ATOM 0 HD2 LYS A 29 10.752 -6.550 -3.778 1.00 0.83 H new ATOM 0 HD3 LYS A 29 11.148 -4.941 -4.349 1.00 0.83 H new ATOM 0 HE2 LYS A 29 11.053 -4.055 -2.032 1.00 0.89 H new ATOM 0 HE3 LYS A 29 10.538 -5.617 -1.427 1.00 0.89 H new ATOM 0 HZ1 LYS A 29 12.924 -5.311 -1.145 1.00 1.38 H new ATOM 0 HZ2 LYS A 29 12.625 -6.584 -2.228 1.00 1.38 H new ATOM 0 HZ3 LYS A 29 13.123 -5.071 -2.814 1.00 1.38 H new ATOM 475 N VAL A 30 6.685 -5.407 -1.779 1.00 0.31 N ATOM 476 CA VAL A 30 6.598 -5.470 -0.288 1.00 0.31 C ATOM 477 C VAL A 30 5.190 -5.943 0.101 1.00 0.28 C ATOM 478 O VAL A 30 5.025 -6.727 1.017 1.00 0.32 O ATOM 479 CB VAL A 30 6.863 -4.080 0.308 1.00 0.35 C ATOM 480 CG1 VAL A 30 6.746 -4.139 1.834 1.00 0.40 C ATOM 481 CG2 VAL A 30 8.274 -3.617 -0.073 1.00 0.42 C ATOM 0 H VAL A 30 6.588 -4.473 -2.177 1.00 0.31 H new ATOM 0 HA VAL A 30 7.344 -6.165 0.099 1.00 0.31 H new ATOM 0 HB VAL A 30 6.128 -3.378 -0.086 1.00 0.35 H new ATOM 0 HG11 VAL A 30 6.935 -3.150 2.252 1.00 0.40 H new ATOM 0 HG12 VAL A 30 5.743 -4.464 2.110 1.00 0.40 H new ATOM 0 HG13 VAL A 30 7.477 -4.845 2.228 1.00 0.40 H new ATOM 0 HG21 VAL A 30 8.460 -2.630 0.351 1.00 0.42 H new ATOM 0 HG22 VAL A 30 9.007 -4.324 0.317 1.00 0.42 H new ATOM 0 HG23 VAL A 30 8.360 -3.568 -1.158 1.00 0.42 H new ATOM 491 N LEU A 31 4.179 -5.471 -0.597 1.00 0.27 N ATOM 492 CA LEU A 31 2.773 -5.887 -0.288 1.00 0.27 C ATOM 493 C LEU A 31 2.582 -7.368 -0.641 1.00 0.26 C ATOM 494 O LEU A 31 1.963 -8.109 0.098 1.00 0.31 O ATOM 495 CB LEU A 31 1.797 -5.044 -1.116 1.00 0.30 C ATOM 496 CG LEU A 31 1.160 -3.972 -0.227 1.00 0.37 C ATOM 497 CD1 LEU A 31 0.721 -2.789 -1.091 1.00 0.56 C ATOM 498 CD2 LEU A 31 -0.060 -4.559 0.488 1.00 0.63 C ATOM 0 H LEU A 31 4.270 -4.813 -1.371 1.00 0.27 H new ATOM 0 HA LEU A 31 2.580 -5.737 0.774 1.00 0.27 H new ATOM 0 HB2 LEU A 31 2.322 -4.575 -1.949 1.00 0.30 H new ATOM 0 HB3 LEU A 31 1.024 -5.681 -1.545 1.00 0.30 H new ATOM 0 HG LEU A 31 1.887 -3.635 0.512 1.00 0.37 H new ATOM 0 HD11 LEU A 31 0.267 -2.025 -0.459 1.00 0.56 H new ATOM 0 HD12 LEU A 31 1.588 -2.370 -1.601 1.00 0.56 H new ATOM 0 HD13 LEU A 31 -0.006 -3.128 -1.829 1.00 0.56 H new ATOM 0 HD21 LEU A 31 -0.513 -3.796 1.121 1.00 0.63 H new ATOM 0 HD22 LEU A 31 -0.787 -4.897 -0.251 1.00 0.63 H new ATOM 0 HD23 LEU A 31 0.250 -5.403 1.104 1.00 0.63 H new ATOM 510 N SER A 32 3.107 -7.793 -1.771 1.00 0.26 N ATOM 511 CA SER A 32 2.969 -9.223 -2.207 1.00 0.29 C ATOM 512 C SER A 32 3.436 -10.187 -1.104 1.00 0.31 C ATOM 513 O SER A 32 2.997 -11.320 -1.047 1.00 0.34 O ATOM 514 CB SER A 32 3.804 -9.454 -3.472 1.00 0.34 C ATOM 515 OG SER A 32 5.156 -9.087 -3.225 1.00 0.42 O ATOM 0 H SER A 32 3.631 -7.202 -2.416 1.00 0.26 H new ATOM 0 HA SER A 32 1.916 -9.419 -2.412 1.00 0.29 H new ATOM 0 HB2 SER A 32 3.749 -10.501 -3.770 1.00 0.34 H new ATOM 0 HB3 SER A 32 3.402 -8.867 -4.298 1.00 0.34 H new ATOM 0 HG SER A 32 5.202 -8.531 -2.420 1.00 0.42 H new ATOM 521 N LEU A 33 4.319 -9.754 -0.231 1.00 0.36 N ATOM 522 CA LEU A 33 4.802 -10.654 0.864 1.00 0.43 C ATOM 523 C LEU A 33 3.686 -10.861 1.901 1.00 0.43 C ATOM 524 O LEU A 33 3.554 -11.929 2.469 1.00 0.50 O ATOM 525 CB LEU A 33 6.023 -10.023 1.548 1.00 0.53 C ATOM 526 CG LEU A 33 7.305 -10.750 1.117 1.00 0.57 C ATOM 527 CD1 LEU A 33 7.251 -12.212 1.569 1.00 0.63 C ATOM 528 CD2 LEU A 33 7.443 -10.690 -0.407 1.00 0.65 C ATOM 0 H LEU A 33 4.724 -8.818 -0.231 1.00 0.36 H new ATOM 0 HA LEU A 33 5.080 -11.618 0.437 1.00 0.43 H new ATOM 0 HB2 LEU A 33 6.090 -8.967 1.287 1.00 0.53 H new ATOM 0 HB3 LEU A 33 5.911 -10.078 2.631 1.00 0.53 H new ATOM 0 HG LEU A 33 8.164 -10.263 1.579 1.00 0.57 H new ATOM 0 HD11 LEU A 33 8.163 -12.722 1.260 1.00 0.63 H new ATOM 0 HD12 LEU A 33 7.161 -12.254 2.654 1.00 0.63 H new ATOM 0 HD13 LEU A 33 6.390 -12.702 1.115 1.00 0.63 H new ATOM 0 HD21 LEU A 33 8.354 -11.207 -0.710 1.00 0.65 H new ATOM 0 HD22 LEU A 33 6.581 -11.171 -0.870 1.00 0.65 H new ATOM 0 HD23 LEU A 33 7.492 -9.649 -0.727 1.00 0.65 H new ATOM 540 N GLN A 34 2.890 -9.845 2.153 1.00 0.42 N ATOM 541 CA GLN A 34 1.785 -9.970 3.155 1.00 0.48 C ATOM 542 C GLN A 34 0.557 -10.633 2.514 1.00 0.45 C ATOM 543 O GLN A 34 0.026 -11.596 3.036 1.00 0.56 O ATOM 544 CB GLN A 34 1.401 -8.579 3.669 1.00 0.52 C ATOM 545 CG GLN A 34 2.458 -8.083 4.660 1.00 0.56 C ATOM 546 CD GLN A 34 3.352 -7.042 3.981 1.00 0.48 C ATOM 547 OE1 GLN A 34 4.508 -7.303 3.708 1.00 0.68 O ATOM 548 NE2 GLN A 34 2.865 -5.864 3.693 1.00 0.65 N ATOM 0 H GLN A 34 2.961 -8.932 1.704 1.00 0.42 H new ATOM 0 HA GLN A 34 2.129 -10.588 3.984 1.00 0.48 H new ATOM 0 HB2 GLN A 34 1.317 -7.883 2.834 1.00 0.52 H new ATOM 0 HB3 GLN A 34 0.425 -8.616 4.153 1.00 0.52 H new ATOM 0 HG2 GLN A 34 1.975 -7.647 5.534 1.00 0.56 H new ATOM 0 HG3 GLN A 34 3.061 -8.920 5.013 1.00 0.56 H new ATOM 0 HE21 GLN A 34 1.896 -5.643 3.921 1.00 0.65 H new ATOM 0 HE22 GLN A 34 3.454 -5.165 3.240 1.00 0.65 H new ATOM 557 N ILE A 35 0.096 -10.117 1.395 1.00 0.40 N ATOM 558 CA ILE A 35 -1.113 -10.710 0.723 1.00 0.43 C ATOM 559 C ILE A 35 -0.748 -12.009 -0.012 1.00 0.42 C ATOM 560 O ILE A 35 -1.617 -12.809 -0.315 1.00 0.52 O ATOM 561 CB ILE A 35 -1.712 -9.716 -0.289 1.00 0.40 C ATOM 562 CG1 ILE A 35 -0.606 -9.124 -1.175 1.00 0.36 C ATOM 563 CG2 ILE A 35 -2.424 -8.586 0.455 1.00 0.49 C ATOM 564 CD1 ILE A 35 -1.231 -8.280 -2.287 1.00 0.39 C ATOM 0 H ILE A 35 0.503 -9.313 0.918 1.00 0.40 H new ATOM 0 HA ILE A 35 -1.847 -10.929 1.499 1.00 0.43 H new ATOM 0 HB ILE A 35 -2.426 -10.248 -0.918 1.00 0.40 H new ATOM 0 HG12 ILE A 35 0.065 -8.511 -0.574 1.00 0.36 H new ATOM 0 HG13 ILE A 35 -0.006 -9.925 -1.607 1.00 0.36 H new ATOM 0 HG21 ILE A 35 -2.846 -7.885 -0.265 1.00 0.49 H new ATOM 0 HG22 ILE A 35 -3.224 -9.001 1.068 1.00 0.49 H new ATOM 0 HG23 ILE A 35 -1.711 -8.064 1.093 1.00 0.49 H new ATOM 0 HD11 ILE A 35 -0.443 -7.862 -2.913 1.00 0.39 H new ATOM 0 HD12 ILE A 35 -1.884 -8.906 -2.895 1.00 0.39 H new ATOM 0 HD13 ILE A 35 -1.812 -7.470 -1.846 1.00 0.39 H new ATOM 576 N GLY A 36 0.513 -12.221 -0.320 1.00 0.38 N ATOM 577 CA GLY A 36 0.913 -13.461 -1.057 1.00 0.40 C ATOM 578 C GLY A 36 0.264 -13.431 -2.442 1.00 0.36 C ATOM 579 O GLY A 36 -0.341 -14.393 -2.878 1.00 0.45 O ATOM 0 H GLY A 36 1.280 -11.588 -0.092 1.00 0.38 H new ATOM 0 HA2 GLY A 36 1.998 -13.515 -1.148 1.00 0.40 H new ATOM 0 HA3 GLY A 36 0.595 -14.347 -0.508 1.00 0.40 H new ATOM 583 N THR A 37 0.365 -12.310 -3.117 1.00 0.32 N ATOM 584 CA THR A 37 -0.264 -12.161 -4.467 1.00 0.33 C ATOM 585 C THR A 37 0.810 -11.949 -5.548 1.00 0.32 C ATOM 586 O THR A 37 0.524 -12.053 -6.728 1.00 0.37 O ATOM 587 CB THR A 37 -1.202 -10.947 -4.430 1.00 0.34 C ATOM 588 OG1 THR A 37 -1.989 -10.992 -3.246 1.00 0.40 O ATOM 589 CG2 THR A 37 -2.120 -10.955 -5.653 1.00 0.48 C ATOM 0 H THR A 37 0.862 -11.483 -2.785 1.00 0.32 H new ATOM 0 HA THR A 37 -0.818 -13.067 -4.711 1.00 0.33 H new ATOM 0 HB THR A 37 -0.605 -10.035 -4.439 1.00 0.34 H new ATOM 0 HG1 THR A 37 -2.635 -11.726 -3.310 1.00 0.40 H new ATOM 0 HG21 THR A 37 -2.782 -10.089 -5.617 1.00 0.48 H new ATOM 0 HG22 THR A 37 -1.518 -10.914 -6.560 1.00 0.48 H new ATOM 0 HG23 THR A 37 -2.716 -11.868 -5.654 1.00 0.48 H new ATOM 597 N GLN A 38 2.035 -11.644 -5.158 1.00 0.37 N ATOM 598 CA GLN A 38 3.137 -11.410 -6.152 1.00 0.42 C ATOM 599 C GLN A 38 2.895 -10.084 -6.891 1.00 0.39 C ATOM 600 O GLN A 38 1.763 -9.674 -7.066 1.00 0.37 O ATOM 601 CB GLN A 38 3.201 -12.560 -7.173 1.00 0.49 C ATOM 602 CG GLN A 38 3.266 -13.908 -6.446 1.00 0.58 C ATOM 603 CD GLN A 38 4.652 -14.090 -5.821 1.00 0.94 C ATOM 604 OE1 GLN A 38 5.570 -14.545 -6.474 1.00 1.25 O ATOM 605 NE2 GLN A 38 4.842 -13.750 -4.575 1.00 1.19 N ATOM 0 H GLN A 38 2.317 -11.547 -4.183 1.00 0.37 H new ATOM 0 HA GLN A 38 4.084 -11.365 -5.614 1.00 0.42 H new ATOM 0 HB2 GLN A 38 2.325 -12.530 -7.822 1.00 0.49 H new ATOM 0 HB3 GLN A 38 4.076 -12.441 -7.812 1.00 0.49 H new ATOM 0 HG2 GLN A 38 2.499 -13.953 -5.673 1.00 0.58 H new ATOM 0 HG3 GLN A 38 3.062 -14.719 -7.145 1.00 0.58 H new ATOM 0 HE21 GLN A 38 4.071 -13.368 -4.027 1.00 1.19 H new ATOM 0 HE22 GLN A 38 5.762 -13.866 -4.149 1.00 1.19 H new ATOM 614 N PRO A 39 3.971 -9.454 -7.315 1.00 0.47 N ATOM 615 CA PRO A 39 3.908 -8.171 -8.049 1.00 0.51 C ATOM 616 C PRO A 39 3.466 -8.417 -9.503 1.00 0.55 C ATOM 617 O PRO A 39 4.198 -8.166 -10.444 1.00 0.89 O ATOM 618 CB PRO A 39 5.345 -7.642 -7.968 1.00 0.62 C ATOM 619 CG PRO A 39 6.249 -8.869 -7.706 1.00 0.66 C ATOM 620 CD PRO A 39 5.344 -9.962 -7.105 1.00 0.57 C ATOM 0 HA PRO A 39 3.189 -7.463 -7.638 1.00 0.51 H new ATOM 0 HB2 PRO A 39 5.628 -7.142 -8.895 1.00 0.62 H new ATOM 0 HB3 PRO A 39 5.444 -6.909 -7.168 1.00 0.62 H new ATOM 0 HG2 PRO A 39 6.711 -9.214 -8.631 1.00 0.66 H new ATOM 0 HG3 PRO A 39 7.058 -8.615 -7.021 1.00 0.66 H new ATOM 0 HD2 PRO A 39 5.494 -10.921 -7.602 1.00 0.57 H new ATOM 0 HD3 PRO A 39 5.554 -10.115 -6.046 1.00 0.57 H new ATOM 628 N ASN A 40 2.261 -8.913 -9.676 1.00 0.45 N ATOM 629 CA ASN A 40 1.730 -9.198 -11.046 1.00 0.50 C ATOM 630 C ASN A 40 0.200 -9.090 -11.033 1.00 0.47 C ATOM 631 O ASN A 40 -0.392 -8.482 -11.908 1.00 0.56 O ATOM 632 CB ASN A 40 2.131 -10.616 -11.465 1.00 0.58 C ATOM 633 CG ASN A 40 3.376 -10.559 -12.351 1.00 1.00 C ATOM 634 OD1 ASN A 40 3.280 -10.328 -13.540 1.00 1.50 O ATOM 635 ND2 ASN A 40 4.551 -10.761 -11.817 1.00 1.62 N ATOM 0 H ASN A 40 1.618 -9.134 -8.916 1.00 0.45 H new ATOM 0 HA ASN A 40 2.143 -8.477 -11.751 1.00 0.50 H new ATOM 0 HB2 ASN A 40 2.329 -11.224 -10.582 1.00 0.58 H new ATOM 0 HB3 ASN A 40 1.311 -11.092 -12.003 1.00 0.58 H new ATOM 0 HD21 ASN A 40 5.388 -10.725 -12.398 1.00 1.62 H new ATOM 0 HD22 ASN A 40 4.631 -10.955 -10.819 1.00 1.62 H new ATOM 642 N LYS A 41 -0.441 -9.675 -10.044 1.00 0.42 N ATOM 643 CA LYS A 41 -1.932 -9.612 -9.959 1.00 0.45 C ATOM 644 C LYS A 41 -2.357 -8.575 -8.906 1.00 0.39 C ATOM 645 O LYS A 41 -3.497 -8.556 -8.475 1.00 0.42 O ATOM 646 CB LYS A 41 -2.477 -10.992 -9.573 1.00 0.53 C ATOM 647 CG LYS A 41 -2.708 -11.819 -10.840 1.00 0.80 C ATOM 648 CD LYS A 41 -2.211 -13.249 -10.617 1.00 1.13 C ATOM 649 CE LYS A 41 -1.009 -13.514 -11.527 1.00 1.75 C ATOM 650 NZ LYS A 41 0.229 -13.626 -10.698 1.00 2.52 N ATOM 0 H LYS A 41 0.010 -10.194 -9.291 1.00 0.42 H new ATOM 0 HA LYS A 41 -2.335 -9.317 -10.928 1.00 0.45 H new ATOM 0 HB2 LYS A 41 -1.773 -11.502 -8.915 1.00 0.53 H new ATOM 0 HB3 LYS A 41 -3.410 -10.885 -9.020 1.00 0.53 H new ATOM 0 HG2 LYS A 41 -3.768 -11.827 -11.093 1.00 0.80 H new ATOM 0 HG3 LYS A 41 -2.183 -11.368 -11.682 1.00 0.80 H new ATOM 0 HD2 LYS A 41 -1.930 -13.390 -9.573 1.00 1.13 H new ATOM 0 HD3 LYS A 41 -3.008 -13.961 -10.831 1.00 1.13 H new ATOM 0 HE2 LYS A 41 -1.164 -14.432 -12.094 1.00 1.75 H new ATOM 0 HE3 LYS A 41 -0.903 -12.706 -12.251 1.00 1.75 H new ATOM 0 HZ1 LYS A 41 1.046 -13.806 -11.316 1.00 2.52 H new ATOM 0 HZ2 LYS A 41 0.379 -12.739 -10.176 1.00 2.52 H new ATOM 0 HZ3 LYS A 41 0.125 -14.411 -10.024 1.00 2.52 H new ATOM 664 N ILE A 42 -1.455 -7.710 -8.492 1.00 0.36 N ATOM 665 CA ILE A 42 -1.811 -6.676 -7.471 1.00 0.32 C ATOM 666 C ILE A 42 -2.106 -5.342 -8.168 1.00 0.34 C ATOM 667 O ILE A 42 -1.333 -4.871 -8.984 1.00 0.47 O ATOM 668 CB ILE A 42 -0.647 -6.488 -6.490 1.00 0.34 C ATOM 669 CG1 ILE A 42 -0.348 -7.812 -5.780 1.00 0.39 C ATOM 670 CG2 ILE A 42 -1.026 -5.432 -5.447 1.00 0.41 C ATOM 671 CD1 ILE A 42 0.987 -7.707 -5.037 1.00 0.44 C ATOM 0 H ILE A 42 -0.489 -7.679 -8.819 1.00 0.36 H new ATOM 0 HA ILE A 42 -2.694 -7.007 -6.925 1.00 0.32 H new ATOM 0 HB ILE A 42 0.237 -6.164 -7.040 1.00 0.34 H new ATOM 0 HG12 ILE A 42 -1.148 -8.049 -5.079 1.00 0.39 H new ATOM 0 HG13 ILE A 42 -0.309 -8.625 -6.506 1.00 0.39 H new ATOM 0 HG21 ILE A 42 -0.200 -5.297 -4.749 1.00 0.41 H new ATOM 0 HG22 ILE A 42 -1.237 -4.486 -5.947 1.00 0.41 H new ATOM 0 HG23 ILE A 42 -1.911 -5.760 -4.902 1.00 0.41 H new ATOM 0 HD11 ILE A 42 1.198 -8.650 -4.533 1.00 0.44 H new ATOM 0 HD12 ILE A 42 1.784 -7.490 -5.749 1.00 0.44 H new ATOM 0 HD13 ILE A 42 0.931 -6.906 -4.300 1.00 0.44 H new ATOM 683 N VAL A 43 -3.218 -4.730 -7.837 1.00 0.32 N ATOM 684 CA VAL A 43 -3.583 -3.418 -8.455 1.00 0.35 C ATOM 685 C VAL A 43 -3.836 -2.406 -7.329 1.00 0.32 C ATOM 686 O VAL A 43 -4.857 -2.445 -6.664 1.00 0.38 O ATOM 687 CB VAL A 43 -4.845 -3.588 -9.314 1.00 0.41 C ATOM 688 CG1 VAL A 43 -5.222 -2.249 -9.957 1.00 0.50 C ATOM 689 CG2 VAL A 43 -4.578 -4.620 -10.414 1.00 0.50 C ATOM 0 H VAL A 43 -3.892 -5.087 -7.160 1.00 0.32 H new ATOM 0 HA VAL A 43 -2.776 -3.061 -9.094 1.00 0.35 H new ATOM 0 HB VAL A 43 -5.665 -3.928 -8.681 1.00 0.41 H new ATOM 0 HG11 VAL A 43 -6.118 -2.377 -10.565 1.00 0.50 H new ATOM 0 HG12 VAL A 43 -5.415 -1.512 -9.177 1.00 0.50 H new ATOM 0 HG13 VAL A 43 -4.402 -1.904 -10.587 1.00 0.50 H new ATOM 0 HG21 VAL A 43 -5.473 -4.741 -11.024 1.00 0.50 H new ATOM 0 HG22 VAL A 43 -3.755 -4.278 -11.041 1.00 0.50 H new ATOM 0 HG23 VAL A 43 -4.316 -5.576 -9.960 1.00 0.50 H new ATOM 699 N LEU A 44 -2.902 -1.512 -7.103 1.00 0.29 N ATOM 700 CA LEU A 44 -3.067 -0.502 -6.011 1.00 0.28 C ATOM 701 C LEU A 44 -3.550 0.830 -6.596 1.00 0.28 C ATOM 702 O LEU A 44 -3.102 1.257 -7.645 1.00 0.36 O ATOM 703 CB LEU A 44 -1.726 -0.300 -5.298 1.00 0.32 C ATOM 704 CG LEU A 44 -1.396 -1.547 -4.471 1.00 0.38 C ATOM 705 CD1 LEU A 44 0.113 -1.788 -4.488 1.00 0.45 C ATOM 706 CD2 LEU A 44 -1.865 -1.346 -3.027 1.00 0.45 C ATOM 0 H LEU A 44 -2.031 -1.439 -7.629 1.00 0.29 H new ATOM 0 HA LEU A 44 -3.808 -0.862 -5.297 1.00 0.28 H new ATOM 0 HB2 LEU A 44 -0.938 -0.115 -6.028 1.00 0.32 H new ATOM 0 HB3 LEU A 44 -1.774 0.576 -4.652 1.00 0.32 H new ATOM 0 HG LEU A 44 -1.906 -2.409 -4.900 1.00 0.38 H new ATOM 0 HD11 LEU A 44 0.346 -2.675 -3.899 1.00 0.45 H new ATOM 0 HD12 LEU A 44 0.446 -1.936 -5.515 1.00 0.45 H new ATOM 0 HD13 LEU A 44 0.624 -0.925 -4.062 1.00 0.45 H new ATOM 0 HD21 LEU A 44 -1.629 -2.234 -2.441 1.00 0.45 H new ATOM 0 HD22 LEU A 44 -1.358 -0.482 -2.597 1.00 0.45 H new ATOM 0 HD23 LEU A 44 -2.942 -1.178 -3.014 1.00 0.45 H new ATOM 718 N GLN A 45 -4.468 1.483 -5.920 1.00 0.28 N ATOM 719 CA GLN A 45 -5.003 2.791 -6.419 1.00 0.31 C ATOM 720 C GLN A 45 -4.969 3.825 -5.289 1.00 0.33 C ATOM 721 O GLN A 45 -5.455 3.581 -4.198 1.00 0.39 O ATOM 722 CB GLN A 45 -6.454 2.619 -6.894 1.00 0.37 C ATOM 723 CG GLN A 45 -6.630 1.261 -7.582 1.00 0.45 C ATOM 724 CD GLN A 45 -7.695 1.376 -8.676 1.00 0.79 C ATOM 725 OE1 GLN A 45 -7.410 1.170 -9.838 1.00 1.22 O ATOM 726 NE2 GLN A 45 -8.918 1.699 -8.352 1.00 1.07 N ATOM 0 H GLN A 45 -4.871 1.164 -5.039 1.00 0.28 H new ATOM 0 HA GLN A 45 -4.385 3.130 -7.251 1.00 0.31 H new ATOM 0 HB2 GLN A 45 -7.133 2.695 -6.045 1.00 0.37 H new ATOM 0 HB3 GLN A 45 -6.715 3.421 -7.584 1.00 0.37 H new ATOM 0 HG2 GLN A 45 -5.684 0.935 -8.014 1.00 0.45 H new ATOM 0 HG3 GLN A 45 -6.924 0.507 -6.852 1.00 0.45 H new ATOM 0 HE21 GLN A 45 -9.158 1.872 -7.376 1.00 1.07 H new ATOM 0 HE22 GLN A 45 -9.633 1.778 -9.075 1.00 1.07 H new ATOM 735 N LYS A 46 -4.400 4.979 -5.545 1.00 0.42 N ATOM 736 CA LYS A 46 -4.330 6.036 -4.492 1.00 0.48 C ATOM 737 C LYS A 46 -5.491 7.027 -4.672 1.00 0.51 C ATOM 738 O LYS A 46 -5.435 7.922 -5.497 1.00 0.55 O ATOM 739 CB LYS A 46 -2.991 6.773 -4.603 1.00 0.51 C ATOM 740 CG LYS A 46 -2.368 6.910 -3.212 1.00 0.78 C ATOM 741 CD LYS A 46 -2.133 8.387 -2.899 1.00 1.14 C ATOM 742 CE LYS A 46 -2.437 8.645 -1.423 1.00 1.41 C ATOM 743 NZ LYS A 46 -2.657 10.102 -1.210 1.00 1.66 N ATOM 0 H LYS A 46 -3.981 5.233 -6.440 1.00 0.42 H new ATOM 0 HA LYS A 46 -4.409 5.576 -3.507 1.00 0.48 H new ATOM 0 HB2 LYS A 46 -2.317 6.227 -5.263 1.00 0.51 H new ATOM 0 HB3 LYS A 46 -3.141 7.758 -5.045 1.00 0.51 H new ATOM 0 HG2 LYS A 46 -3.026 6.469 -2.463 1.00 0.78 H new ATOM 0 HG3 LYS A 46 -1.425 6.364 -3.169 1.00 0.78 H new ATOM 0 HD2 LYS A 46 -1.101 8.658 -3.123 1.00 1.14 H new ATOM 0 HD3 LYS A 46 -2.770 9.010 -3.528 1.00 1.14 H new ATOM 0 HE2 LYS A 46 -3.321 8.084 -1.119 1.00 1.41 H new ATOM 0 HE3 LYS A 46 -1.610 8.297 -0.804 1.00 1.41 H new ATOM 0 HZ1 LYS A 46 -2.963 10.267 -0.230 1.00 1.66 H new ATOM 0 HZ2 LYS A 46 -1.771 10.616 -1.387 1.00 1.66 H new ATOM 0 HZ3 LYS A 46 -3.391 10.441 -1.864 1.00 1.66 H new ATOM 757 N GLY A 47 -6.542 6.868 -3.897 1.00 0.64 N ATOM 758 CA GLY A 47 -7.718 7.789 -3.997 1.00 0.76 C ATOM 759 C GLY A 47 -8.477 7.529 -5.304 1.00 0.74 C ATOM 760 O GLY A 47 -9.421 6.761 -5.339 1.00 0.89 O ATOM 0 H GLY A 47 -6.633 6.133 -3.195 1.00 0.64 H new ATOM 0 HA2 GLY A 47 -8.382 7.639 -3.145 1.00 0.76 H new ATOM 0 HA3 GLY A 47 -7.383 8.826 -3.961 1.00 0.76 H new ATOM 764 N GLY A 48 -8.070 8.169 -6.376 1.00 0.69 N ATOM 765 CA GLY A 48 -8.758 7.970 -7.689 1.00 0.74 C ATOM 766 C GLY A 48 -7.715 7.895 -8.809 1.00 0.69 C ATOM 767 O GLY A 48 -7.862 8.520 -9.843 1.00 0.84 O ATOM 0 H GLY A 48 -7.287 8.823 -6.396 1.00 0.69 H new ATOM 0 HA2 GLY A 48 -9.349 7.054 -7.666 1.00 0.74 H new ATOM 0 HA3 GLY A 48 -9.450 8.791 -7.877 1.00 0.74 H new ATOM 771 N SER A 49 -6.664 7.134 -8.605 1.00 0.55 N ATOM 772 CA SER A 49 -5.599 7.009 -9.648 1.00 0.54 C ATOM 773 C SER A 49 -4.914 5.642 -9.528 1.00 0.42 C ATOM 774 O SER A 49 -4.642 5.168 -8.439 1.00 0.41 O ATOM 775 CB SER A 49 -4.559 8.120 -9.460 1.00 0.63 C ATOM 776 OG SER A 49 -4.089 8.115 -8.114 1.00 0.62 O ATOM 0 H SER A 49 -6.499 6.593 -7.756 1.00 0.55 H new ATOM 0 HA SER A 49 -6.053 7.100 -10.635 1.00 0.54 H new ATOM 0 HB2 SER A 49 -3.726 7.972 -10.147 1.00 0.63 H new ATOM 0 HB3 SER A 49 -5.000 9.088 -9.698 1.00 0.63 H new ATOM 0 HG SER A 49 -3.424 8.825 -7.997 1.00 0.62 H new ATOM 782 N VAL A 50 -4.630 5.010 -10.642 1.00 0.45 N ATOM 783 CA VAL A 50 -3.957 3.676 -10.607 1.00 0.42 C ATOM 784 C VAL A 50 -2.452 3.874 -10.397 1.00 0.37 C ATOM 785 O VAL A 50 -1.822 4.677 -11.063 1.00 0.49 O ATOM 786 CB VAL A 50 -4.202 2.936 -11.930 1.00 0.57 C ATOM 787 CG1 VAL A 50 -3.558 1.547 -11.871 1.00 0.66 C ATOM 788 CG2 VAL A 50 -5.709 2.786 -12.164 1.00 0.75 C ATOM 0 H VAL A 50 -4.837 5.363 -11.576 1.00 0.45 H new ATOM 0 HA VAL A 50 -4.365 3.084 -9.787 1.00 0.42 H new ATOM 0 HB VAL A 50 -3.761 3.507 -12.747 1.00 0.57 H new ATOM 0 HG11 VAL A 50 -3.734 1.024 -12.811 1.00 0.66 H new ATOM 0 HG12 VAL A 50 -2.485 1.650 -11.708 1.00 0.66 H new ATOM 0 HG13 VAL A 50 -3.996 0.977 -11.052 1.00 0.66 H new ATOM 0 HG21 VAL A 50 -5.881 2.261 -13.103 1.00 0.75 H new ATOM 0 HG22 VAL A 50 -6.150 2.218 -11.345 1.00 0.75 H new ATOM 0 HG23 VAL A 50 -6.170 3.773 -12.211 1.00 0.75 H new ATOM 798 N LEU A 51 -1.875 3.147 -9.470 1.00 0.34 N ATOM 799 CA LEU A 51 -0.411 3.284 -9.199 1.00 0.34 C ATOM 800 C LEU A 51 0.372 2.355 -10.134 1.00 0.38 C ATOM 801 O LEU A 51 0.185 1.151 -10.128 1.00 0.54 O ATOM 802 CB LEU A 51 -0.117 2.912 -7.740 1.00 0.41 C ATOM 803 CG LEU A 51 -1.005 3.735 -6.799 1.00 0.39 C ATOM 804 CD1 LEU A 51 -0.642 3.416 -5.349 1.00 0.51 C ATOM 805 CD2 LEU A 51 -0.790 5.230 -7.059 1.00 0.43 C ATOM 0 H LEU A 51 -2.358 2.463 -8.888 1.00 0.34 H new ATOM 0 HA LEU A 51 -0.107 4.316 -9.375 1.00 0.34 H new ATOM 0 HB2 LEU A 51 -0.296 1.848 -7.584 1.00 0.41 H new ATOM 0 HB3 LEU A 51 0.934 3.095 -7.514 1.00 0.41 H new ATOM 0 HG LEU A 51 -2.050 3.484 -6.980 1.00 0.39 H new ATOM 0 HD11 LEU A 51 -1.273 4.000 -4.679 1.00 0.51 H new ATOM 0 HD12 LEU A 51 -0.798 2.354 -5.160 1.00 0.51 H new ATOM 0 HD13 LEU A 51 0.404 3.666 -5.172 1.00 0.51 H new ATOM 0 HD21 LEU A 51 -1.423 5.811 -6.388 1.00 0.43 H new ATOM 0 HD22 LEU A 51 0.255 5.484 -6.882 1.00 0.43 H new ATOM 0 HD23 LEU A 51 -1.049 5.461 -8.092 1.00 0.43 H new ATOM 817 N LYS A 52 1.247 2.913 -10.935 1.00 0.37 N ATOM 818 CA LYS A 52 2.054 2.084 -11.880 1.00 0.42 C ATOM 819 C LYS A 52 3.484 1.938 -11.350 1.00 0.38 C ATOM 820 O LYS A 52 4.041 2.860 -10.779 1.00 0.36 O ATOM 821 CB LYS A 52 2.084 2.760 -13.253 1.00 0.49 C ATOM 822 CG LYS A 52 1.357 1.883 -14.272 1.00 0.73 C ATOM 823 CD LYS A 52 2.382 1.135 -15.125 1.00 0.92 C ATOM 824 CE LYS A 52 2.058 -0.360 -15.117 1.00 1.08 C ATOM 825 NZ LYS A 52 3.325 -1.147 -15.089 1.00 1.31 N ATOM 0 H LYS A 52 1.437 3.914 -10.974 1.00 0.37 H new ATOM 0 HA LYS A 52 1.602 1.096 -11.969 1.00 0.42 H new ATOM 0 HB2 LYS A 52 1.610 3.740 -13.198 1.00 0.49 H new ATOM 0 HB3 LYS A 52 3.115 2.922 -13.567 1.00 0.49 H new ATOM 0 HG2 LYS A 52 0.708 1.173 -13.759 1.00 0.73 H new ATOM 0 HG3 LYS A 52 0.719 2.498 -14.907 1.00 0.73 H new ATOM 0 HD2 LYS A 52 2.368 1.516 -16.146 1.00 0.92 H new ATOM 0 HD3 LYS A 52 3.386 1.302 -14.736 1.00 0.92 H new ATOM 0 HE2 LYS A 52 1.447 -0.605 -14.249 1.00 1.08 H new ATOM 0 HE3 LYS A 52 1.476 -0.621 -16.001 1.00 1.08 H new ATOM 0 HZ1 LYS A 52 3.103 -2.163 -15.084 1.00 1.31 H new ATOM 0 HZ2 LYS A 52 3.893 -0.921 -15.931 1.00 1.31 H new ATOM 0 HZ3 LYS A 52 3.864 -0.906 -14.233 1.00 1.31 H new ATOM 839 N ASP A 53 4.078 0.783 -11.542 1.00 0.41 N ATOM 840 CA ASP A 53 5.477 0.543 -11.056 1.00 0.42 C ATOM 841 C ASP A 53 6.461 1.494 -11.758 1.00 0.41 C ATOM 842 O ASP A 53 7.532 1.768 -11.244 1.00 0.45 O ATOM 843 CB ASP A 53 5.878 -0.912 -11.342 1.00 0.49 C ATOM 844 CG ASP A 53 4.757 -1.863 -10.897 1.00 0.56 C ATOM 845 OD1 ASP A 53 4.497 -1.934 -9.704 1.00 0.60 O ATOM 846 OD2 ASP A 53 4.174 -2.502 -11.757 1.00 0.71 O ATOM 0 H ASP A 53 3.650 -0.011 -12.019 1.00 0.41 H new ATOM 0 HA ASP A 53 5.512 0.731 -9.983 1.00 0.42 H new ATOM 0 HB2 ASP A 53 6.075 -1.041 -12.406 1.00 0.49 H new ATOM 0 HB3 ASP A 53 6.801 -1.154 -10.816 1.00 0.49 H new ATOM 851 N HIS A 54 6.109 1.999 -12.921 1.00 0.42 N ATOM 852 CA HIS A 54 7.021 2.931 -13.658 1.00 0.45 C ATOM 853 C HIS A 54 7.037 4.322 -12.996 1.00 0.41 C ATOM 854 O HIS A 54 7.873 5.148 -13.317 1.00 0.53 O ATOM 855 CB HIS A 54 6.537 3.072 -15.105 1.00 0.51 C ATOM 856 CG HIS A 54 7.053 1.924 -15.926 1.00 0.57 C ATOM 857 ND1 HIS A 54 6.263 0.833 -16.249 1.00 1.09 N ATOM 858 CD2 HIS A 54 8.277 1.683 -16.499 1.00 0.94 C ATOM 859 CE1 HIS A 54 7.013 -0.005 -16.988 1.00 1.05 C ATOM 860 NE2 HIS A 54 8.250 0.465 -17.169 1.00 0.92 N ATOM 0 H HIS A 54 5.225 1.803 -13.391 1.00 0.42 H new ATOM 0 HA HIS A 54 8.030 2.520 -13.633 1.00 0.45 H new ATOM 0 HB2 HIS A 54 5.448 3.092 -15.134 1.00 0.51 H new ATOM 0 HB3 HIS A 54 6.884 4.016 -15.524 1.00 0.51 H new ATOM 0 HD2 HIS A 54 9.132 2.340 -16.438 1.00 0.94 H new ATOM 0 HE1 HIS A 54 6.658 -0.944 -17.386 1.00 1.05 H new ATOM 0 HE2 HIS A 54 9.011 0.025 -17.687 1.00 0.92 H new ATOM 868 N ILE A 55 6.126 4.593 -12.084 1.00 0.37 N ATOM 869 CA ILE A 55 6.096 5.933 -11.417 1.00 0.36 C ATOM 870 C ILE A 55 6.473 5.782 -9.938 1.00 0.32 C ATOM 871 O ILE A 55 6.136 4.801 -9.296 1.00 0.36 O ATOM 872 CB ILE A 55 4.687 6.535 -11.545 1.00 0.40 C ATOM 873 CG1 ILE A 55 4.371 6.779 -13.025 1.00 0.48 C ATOM 874 CG2 ILE A 55 4.615 7.870 -10.793 1.00 0.44 C ATOM 875 CD1 ILE A 55 3.572 5.601 -13.585 1.00 0.59 C ATOM 0 H ILE A 55 5.404 3.942 -11.776 1.00 0.37 H new ATOM 0 HA ILE A 55 6.814 6.597 -11.898 1.00 0.36 H new ATOM 0 HB ILE A 55 3.964 5.840 -11.118 1.00 0.40 H new ATOM 0 HG12 ILE A 55 3.803 7.702 -13.138 1.00 0.48 H new ATOM 0 HG13 ILE A 55 5.296 6.903 -13.588 1.00 0.48 H new ATOM 0 HG21 ILE A 55 3.613 8.288 -10.890 1.00 0.44 H new ATOM 0 HG22 ILE A 55 4.840 7.707 -9.739 1.00 0.44 H new ATOM 0 HG23 ILE A 55 5.341 8.565 -11.215 1.00 0.44 H new ATOM 0 HD11 ILE A 55 3.350 5.779 -14.637 1.00 0.59 H new ATOM 0 HD12 ILE A 55 4.156 4.686 -13.487 1.00 0.59 H new ATOM 0 HD13 ILE A 55 2.640 5.497 -13.030 1.00 0.59 H new ATOM 887 N SER A 56 7.179 6.751 -9.399 1.00 0.32 N ATOM 888 CA SER A 56 7.597 6.681 -7.966 1.00 0.33 C ATOM 889 C SER A 56 6.435 7.081 -7.047 1.00 0.29 C ATOM 890 O SER A 56 5.557 7.836 -7.429 1.00 0.31 O ATOM 891 CB SER A 56 8.780 7.624 -7.730 1.00 0.42 C ATOM 892 OG SER A 56 9.634 7.065 -6.741 1.00 0.63 O ATOM 0 H SER A 56 7.483 7.589 -9.895 1.00 0.32 H new ATOM 0 HA SER A 56 7.890 5.656 -7.737 1.00 0.33 H new ATOM 0 HB2 SER A 56 9.330 7.776 -8.659 1.00 0.42 H new ATOM 0 HB3 SER A 56 8.422 8.602 -7.408 1.00 0.42 H new ATOM 0 HG SER A 56 10.394 7.665 -6.588 1.00 0.63 H new ATOM 898 N LEU A 57 6.437 6.580 -5.829 1.00 0.28 N ATOM 899 CA LEU A 57 5.348 6.921 -4.855 1.00 0.29 C ATOM 900 C LEU A 57 5.329 8.437 -4.615 1.00 0.31 C ATOM 901 O LEU A 57 4.282 9.024 -4.407 1.00 0.37 O ATOM 902 CB LEU A 57 5.601 6.201 -3.525 1.00 0.32 C ATOM 903 CG LEU A 57 5.338 4.700 -3.687 1.00 0.35 C ATOM 904 CD1 LEU A 57 5.978 3.941 -2.523 1.00 0.48 C ATOM 905 CD2 LEU A 57 3.827 4.441 -3.693 1.00 0.45 C ATOM 0 H LEU A 57 7.151 5.947 -5.468 1.00 0.28 H new ATOM 0 HA LEU A 57 4.389 6.603 -5.264 1.00 0.29 H new ATOM 0 HB2 LEU A 57 6.629 6.366 -3.202 1.00 0.32 H new ATOM 0 HB3 LEU A 57 4.953 6.611 -2.750 1.00 0.32 H new ATOM 0 HG LEU A 57 5.769 4.357 -4.627 1.00 0.35 H new ATOM 0 HD11 LEU A 57 5.791 2.873 -2.638 1.00 0.48 H new ATOM 0 HD12 LEU A 57 7.053 4.123 -2.517 1.00 0.48 H new ATOM 0 HD13 LEU A 57 5.547 4.286 -1.583 1.00 0.48 H new ATOM 0 HD21 LEU A 57 3.641 3.373 -3.808 1.00 0.45 H new ATOM 0 HD22 LEU A 57 3.395 4.785 -2.753 1.00 0.45 H new ATOM 0 HD23 LEU A 57 3.369 4.980 -4.522 1.00 0.45 H new ATOM 917 N GLU A 58 6.483 9.067 -4.648 1.00 0.34 N ATOM 918 CA GLU A 58 6.558 10.545 -4.430 1.00 0.42 C ATOM 919 C GLU A 58 5.723 11.269 -5.495 1.00 0.43 C ATOM 920 O GLU A 58 5.068 12.255 -5.211 1.00 0.50 O ATOM 921 CB GLU A 58 8.018 10.998 -4.530 1.00 0.53 C ATOM 922 CG GLU A 58 8.375 11.841 -3.304 1.00 0.91 C ATOM 923 CD GLU A 58 8.067 13.316 -3.587 1.00 1.63 C ATOM 924 OE1 GLU A 58 8.948 14.001 -4.085 1.00 2.16 O ATOM 925 OE2 GLU A 58 6.958 13.736 -3.301 1.00 2.24 O ATOM 0 H GLU A 58 7.381 8.614 -4.818 1.00 0.34 H new ATOM 0 HA GLU A 58 6.166 10.786 -3.442 1.00 0.42 H new ATOM 0 HB2 GLU A 58 8.676 10.131 -4.593 1.00 0.53 H new ATOM 0 HB3 GLU A 58 8.168 11.578 -5.440 1.00 0.53 H new ATOM 0 HG2 GLU A 58 7.808 11.500 -2.438 1.00 0.91 H new ATOM 0 HG3 GLU A 58 9.431 11.719 -3.061 1.00 0.91 H new ATOM 932 N ASP A 59 5.738 10.777 -6.715 1.00 0.40 N ATOM 933 CA ASP A 59 4.942 11.420 -7.807 1.00 0.43 C ATOM 934 C ASP A 59 3.448 11.332 -7.469 1.00 0.42 C ATOM 935 O ASP A 59 2.711 12.288 -7.631 1.00 0.50 O ATOM 936 CB ASP A 59 5.205 10.696 -9.132 1.00 0.48 C ATOM 937 CG ASP A 59 6.661 10.909 -9.561 1.00 0.55 C ATOM 938 OD1 ASP A 59 6.934 11.924 -10.181 1.00 0.66 O ATOM 939 OD2 ASP A 59 7.477 10.052 -9.263 1.00 0.70 O ATOM 0 H ASP A 59 6.270 9.955 -6.999 1.00 0.40 H new ATOM 0 HA ASP A 59 5.236 12.465 -7.900 1.00 0.43 H new ATOM 0 HB2 ASP A 59 5.001 9.631 -9.022 1.00 0.48 H new ATOM 0 HB3 ASP A 59 4.531 11.071 -9.902 1.00 0.48 H new ATOM 944 N TYR A 60 3.004 10.189 -6.994 1.00 0.40 N ATOM 945 CA TYR A 60 1.560 10.020 -6.631 1.00 0.44 C ATOM 946 C TYR A 60 1.235 10.828 -5.362 1.00 0.45 C ATOM 947 O TYR A 60 0.083 11.103 -5.082 1.00 0.52 O ATOM 948 CB TYR A 60 1.268 8.538 -6.379 1.00 0.45 C ATOM 949 CG TYR A 60 1.227 7.799 -7.698 1.00 0.39 C ATOM 950 CD1 TYR A 60 0.201 8.060 -8.614 1.00 0.44 C ATOM 951 CD2 TYR A 60 2.214 6.854 -8.002 1.00 0.46 C ATOM 952 CE1 TYR A 60 0.163 7.378 -9.836 1.00 0.48 C ATOM 953 CE2 TYR A 60 2.176 6.172 -9.223 1.00 0.50 C ATOM 954 CZ TYR A 60 1.151 6.434 -10.140 1.00 0.48 C ATOM 955 OH TYR A 60 1.113 5.761 -11.345 1.00 0.60 O ATOM 0 H TYR A 60 3.584 9.364 -6.842 1.00 0.40 H new ATOM 0 HA TYR A 60 0.942 10.383 -7.452 1.00 0.44 H new ATOM 0 HB2 TYR A 60 2.036 8.110 -5.734 1.00 0.45 H new ATOM 0 HB3 TYR A 60 0.317 8.427 -5.859 1.00 0.45 H new ATOM 0 HD1 TYR A 60 -0.561 8.788 -8.378 1.00 0.44 H new ATOM 0 HD2 TYR A 60 3.004 6.652 -7.294 1.00 0.46 H new ATOM 0 HE1 TYR A 60 -0.628 7.580 -10.543 1.00 0.48 H new ATOM 0 HE2 TYR A 60 2.938 5.443 -9.458 1.00 0.50 H new ATOM 0 HH TYR A 60 0.238 5.332 -11.453 1.00 0.60 H new ATOM 965 N GLU A 61 2.244 11.204 -4.598 1.00 0.43 N ATOM 966 CA GLU A 61 2.019 11.993 -3.345 1.00 0.48 C ATOM 967 C GLU A 61 1.392 11.088 -2.274 1.00 0.45 C ATOM 968 O GLU A 61 0.269 11.290 -1.844 1.00 0.62 O ATOM 969 CB GLU A 61 1.108 13.197 -3.638 1.00 0.60 C ATOM 970 CG GLU A 61 1.774 14.481 -3.133 1.00 0.86 C ATOM 971 CD GLU A 61 2.918 14.876 -4.075 1.00 1.17 C ATOM 972 OE1 GLU A 61 2.634 15.455 -5.112 1.00 1.43 O ATOM 973 OE2 GLU A 61 4.059 14.592 -3.744 1.00 1.47 O ATOM 0 H GLU A 61 3.222 10.993 -4.796 1.00 0.43 H new ATOM 0 HA GLU A 61 2.974 12.367 -2.975 1.00 0.48 H new ATOM 0 HB2 GLU A 61 0.919 13.271 -4.709 1.00 0.60 H new ATOM 0 HB3 GLU A 61 0.142 13.061 -3.152 1.00 0.60 H new ATOM 0 HG2 GLU A 61 1.040 15.285 -3.079 1.00 0.86 H new ATOM 0 HG3 GLU A 61 2.157 14.331 -2.124 1.00 0.86 H new ATOM 980 N VAL A 62 2.125 10.091 -1.839 1.00 0.36 N ATOM 981 CA VAL A 62 1.603 9.161 -0.793 1.00 0.37 C ATOM 982 C VAL A 62 1.993 9.700 0.590 1.00 0.42 C ATOM 983 O VAL A 62 3.157 9.934 0.868 1.00 0.55 O ATOM 984 CB VAL A 62 2.204 7.764 -1.004 1.00 0.39 C ATOM 985 CG1 VAL A 62 1.674 6.803 0.064 1.00 0.47 C ATOM 986 CG2 VAL A 62 1.810 7.244 -2.390 1.00 0.46 C ATOM 0 H VAL A 62 3.068 9.882 -2.167 1.00 0.36 H new ATOM 0 HA VAL A 62 0.517 9.091 -0.862 1.00 0.37 H new ATOM 0 HB VAL A 62 3.290 7.826 -0.928 1.00 0.39 H new ATOM 0 HG11 VAL A 62 2.104 5.814 -0.091 1.00 0.47 H new ATOM 0 HG12 VAL A 62 1.952 7.169 1.053 1.00 0.47 H new ATOM 0 HG13 VAL A 62 0.588 6.742 -0.008 1.00 0.47 H new ATOM 0 HG21 VAL A 62 2.236 6.252 -2.541 1.00 0.46 H new ATOM 0 HG22 VAL A 62 0.724 7.187 -2.462 1.00 0.46 H new ATOM 0 HG23 VAL A 62 2.189 7.922 -3.154 1.00 0.46 H new ATOM 996 N HIS A 63 1.024 9.905 1.450 1.00 0.46 N ATOM 997 CA HIS A 63 1.319 10.442 2.815 1.00 0.56 C ATOM 998 C HIS A 63 1.318 9.303 3.843 1.00 0.47 C ATOM 999 O HIS A 63 0.792 8.231 3.599 1.00 0.44 O ATOM 1000 CB HIS A 63 0.247 11.469 3.193 1.00 0.69 C ATOM 1001 CG HIS A 63 0.829 12.482 4.141 1.00 0.89 C ATOM 1002 ND1 HIS A 63 0.447 12.554 5.472 1.00 1.04 N ATOM 1003 CD2 HIS A 63 1.766 13.469 3.967 1.00 1.15 C ATOM 1004 CE1 HIS A 63 1.145 13.554 6.040 1.00 1.25 C ATOM 1005 NE2 HIS A 63 1.964 14.145 5.167 1.00 1.33 N ATOM 0 H HIS A 63 0.038 9.723 1.264 1.00 0.46 H new ATOM 0 HA HIS A 63 2.302 10.914 2.810 1.00 0.56 H new ATOM 0 HB2 HIS A 63 -0.126 11.966 2.298 1.00 0.69 H new ATOM 0 HB3 HIS A 63 -0.603 10.968 3.657 1.00 0.69 H new ATOM 0 HD2 HIS A 63 2.273 13.688 3.039 1.00 1.15 H new ATOM 0 HE1 HIS A 63 1.054 13.844 7.076 1.00 1.25 H new ATOM 0 HE2 HIS A 63 2.598 14.924 5.342 1.00 1.33 H new ATOM 1013 N ASP A 64 1.900 9.536 4.997 1.00 0.51 N ATOM 1014 CA ASP A 64 1.932 8.479 6.056 1.00 0.47 C ATOM 1015 C ASP A 64 0.521 8.284 6.622 1.00 0.38 C ATOM 1016 O ASP A 64 -0.251 9.222 6.726 1.00 0.41 O ATOM 1017 CB ASP A 64 2.893 8.892 7.184 1.00 0.58 C ATOM 1018 CG ASP A 64 2.466 10.239 7.782 1.00 0.69 C ATOM 1019 OD1 ASP A 64 2.895 11.258 7.265 1.00 0.91 O ATOM 1020 OD2 ASP A 64 1.720 10.227 8.749 1.00 0.78 O ATOM 0 H ASP A 64 2.354 10.414 5.250 1.00 0.51 H new ATOM 0 HA ASP A 64 2.282 7.543 5.620 1.00 0.47 H new ATOM 0 HB2 ASP A 64 2.902 8.128 7.961 1.00 0.58 H new ATOM 0 HB3 ASP A 64 3.909 8.964 6.797 1.00 0.58 H new ATOM 1025 N GLN A 65 0.180 7.065 6.977 1.00 0.37 N ATOM 1026 CA GLN A 65 -1.182 6.773 7.529 1.00 0.38 C ATOM 1027 C GLN A 65 -2.254 7.167 6.498 1.00 0.36 C ATOM 1028 O GLN A 65 -3.330 7.622 6.848 1.00 0.45 O ATOM 1029 CB GLN A 65 -1.395 7.559 8.834 1.00 0.43 C ATOM 1030 CG GLN A 65 -0.321 7.170 9.857 1.00 0.54 C ATOM 1031 CD GLN A 65 -0.571 5.742 10.350 1.00 0.69 C ATOM 1032 OE1 GLN A 65 -1.427 5.514 11.181 1.00 0.92 O ATOM 1033 NE2 GLN A 65 0.148 4.765 9.869 1.00 0.89 N ATOM 0 H GLN A 65 0.794 6.254 6.907 1.00 0.37 H new ATOM 0 HA GLN A 65 -1.264 5.707 7.740 1.00 0.38 H new ATOM 0 HB2 GLN A 65 -1.350 8.630 8.636 1.00 0.43 H new ATOM 0 HB3 GLN A 65 -2.386 7.351 9.237 1.00 0.43 H new ATOM 0 HG2 GLN A 65 0.668 7.241 9.405 1.00 0.54 H new ATOM 0 HG3 GLN A 65 -0.338 7.863 10.698 1.00 0.54 H new ATOM 0 HE21 GLN A 65 0.867 4.956 9.171 1.00 0.89 H new ATOM 0 HE22 GLN A 65 -0.009 3.810 10.191 1.00 0.89 H new ATOM 1042 N THR A 66 -1.966 6.988 5.227 1.00 0.33 N ATOM 1043 CA THR A 66 -2.957 7.345 4.166 1.00 0.32 C ATOM 1044 C THR A 66 -3.781 6.105 3.787 1.00 0.30 C ATOM 1045 O THR A 66 -3.410 4.983 4.088 1.00 0.32 O ATOM 1046 CB THR A 66 -2.217 7.886 2.931 1.00 0.36 C ATOM 1047 OG1 THR A 66 -3.148 8.505 2.054 1.00 0.42 O ATOM 1048 CG2 THR A 66 -1.506 6.745 2.196 1.00 0.36 C ATOM 0 H THR A 66 -1.084 6.609 4.882 1.00 0.33 H new ATOM 0 HA THR A 66 -3.631 8.115 4.543 1.00 0.32 H new ATOM 0 HB THR A 66 -1.475 8.615 3.255 1.00 0.36 H new ATOM 0 HG1 THR A 66 -2.676 8.851 1.268 1.00 0.42 H new ATOM 0 HG21 THR A 66 -0.986 7.142 1.324 1.00 0.36 H new ATOM 0 HG22 THR A 66 -0.785 6.275 2.865 1.00 0.36 H new ATOM 0 HG23 THR A 66 -2.240 6.006 1.875 1.00 0.36 H new ATOM 1056 N ASN A 67 -4.897 6.303 3.126 1.00 0.32 N ATOM 1057 CA ASN A 67 -5.754 5.149 2.722 1.00 0.33 C ATOM 1058 C ASN A 67 -5.480 4.789 1.258 1.00 0.33 C ATOM 1059 O ASN A 67 -5.474 5.641 0.387 1.00 0.56 O ATOM 1060 CB ASN A 67 -7.228 5.519 2.894 1.00 0.42 C ATOM 1061 CG ASN A 67 -7.765 4.887 4.181 1.00 0.89 C ATOM 1062 OD1 ASN A 67 -7.741 5.501 5.229 1.00 1.30 O ATOM 1063 ND2 ASN A 67 -8.252 3.676 4.144 1.00 1.35 N ATOM 0 H ASN A 67 -5.250 7.219 2.849 1.00 0.32 H new ATOM 0 HA ASN A 67 -5.522 4.290 3.352 1.00 0.33 H new ATOM 0 HB2 ASN A 67 -7.340 6.603 2.934 1.00 0.42 H new ATOM 0 HB3 ASN A 67 -7.804 5.170 2.037 1.00 0.42 H new ATOM 0 HD21 ASN A 67 -8.613 3.245 4.995 1.00 1.35 H new ATOM 0 HD22 ASN A 67 -8.272 3.161 3.264 1.00 1.35 H new ATOM 1070 N LEU A 68 -5.248 3.527 0.995 1.00 0.28 N ATOM 1071 CA LEU A 68 -4.963 3.072 -0.398 1.00 0.27 C ATOM 1072 C LEU A 68 -5.961 1.976 -0.799 1.00 0.27 C ATOM 1073 O LEU A 68 -6.557 1.327 0.043 1.00 0.34 O ATOM 1074 CB LEU A 68 -3.538 2.511 -0.457 1.00 0.31 C ATOM 1075 CG LEU A 68 -2.703 3.317 -1.454 1.00 0.50 C ATOM 1076 CD1 LEU A 68 -1.301 3.543 -0.883 1.00 0.65 C ATOM 1077 CD2 LEU A 68 -2.598 2.544 -2.771 1.00 0.87 C ATOM 0 H LEU A 68 -5.244 2.785 1.695 1.00 0.28 H new ATOM 0 HA LEU A 68 -5.060 3.913 -1.085 1.00 0.27 H new ATOM 0 HB2 LEU A 68 -3.080 2.552 0.531 1.00 0.31 H new ATOM 0 HB3 LEU A 68 -3.562 1.462 -0.754 1.00 0.31 H new ATOM 0 HG LEU A 68 -3.181 4.280 -1.633 1.00 0.50 H new ATOM 0 HD11 LEU A 68 -0.707 4.117 -1.594 1.00 0.65 H new ATOM 0 HD12 LEU A 68 -1.375 4.092 0.056 1.00 0.65 H new ATOM 0 HD13 LEU A 68 -0.822 2.581 -0.704 1.00 0.65 H new ATOM 0 HD21 LEU A 68 -2.003 3.117 -3.483 1.00 0.87 H new ATOM 0 HD22 LEU A 68 -2.120 1.581 -2.591 1.00 0.87 H new ATOM 0 HD23 LEU A 68 -3.596 2.383 -3.179 1.00 0.87 H new ATOM 1089 N GLU A 69 -6.140 1.766 -2.081 1.00 0.28 N ATOM 1090 CA GLU A 69 -7.091 0.712 -2.553 1.00 0.30 C ATOM 1091 C GLU A 69 -6.304 -0.497 -3.069 1.00 0.28 C ATOM 1092 O GLU A 69 -5.179 -0.372 -3.523 1.00 0.35 O ATOM 1093 CB GLU A 69 -7.961 1.271 -3.681 1.00 0.36 C ATOM 1094 CG GLU A 69 -9.012 2.220 -3.098 1.00 0.65 C ATOM 1095 CD GLU A 69 -8.509 3.665 -3.198 1.00 0.89 C ATOM 1096 OE1 GLU A 69 -8.595 4.230 -4.276 1.00 1.06 O ATOM 1097 OE2 GLU A 69 -8.044 4.182 -2.194 1.00 1.22 O ATOM 0 H GLU A 69 -5.666 2.281 -2.823 1.00 0.28 H new ATOM 0 HA GLU A 69 -7.727 0.405 -1.723 1.00 0.30 H new ATOM 0 HB2 GLU A 69 -7.340 1.800 -4.404 1.00 0.36 H new ATOM 0 HB3 GLU A 69 -8.449 0.456 -4.215 1.00 0.36 H new ATOM 0 HG2 GLU A 69 -9.953 2.113 -3.638 1.00 0.65 H new ATOM 0 HG3 GLU A 69 -9.211 1.964 -2.057 1.00 0.65 H new ATOM 1104 N LEU A 70 -6.894 -1.666 -3.004 1.00 0.27 N ATOM 1105 CA LEU A 70 -6.201 -2.897 -3.486 1.00 0.27 C ATOM 1106 C LEU A 70 -7.170 -3.725 -4.337 1.00 0.28 C ATOM 1107 O LEU A 70 -8.310 -3.942 -3.965 1.00 0.40 O ATOM 1108 CB LEU A 70 -5.728 -3.720 -2.282 1.00 0.31 C ATOM 1109 CG LEU A 70 -4.970 -4.964 -2.761 1.00 0.36 C ATOM 1110 CD1 LEU A 70 -3.756 -4.545 -3.600 1.00 0.43 C ATOM 1111 CD2 LEU A 70 -4.496 -5.768 -1.548 1.00 0.46 C ATOM 0 H LEU A 70 -7.832 -1.819 -2.635 1.00 0.27 H new ATOM 0 HA LEU A 70 -5.338 -2.621 -4.092 1.00 0.27 H new ATOM 0 HB2 LEU A 70 -5.082 -3.113 -1.647 1.00 0.31 H new ATOM 0 HB3 LEU A 70 -6.584 -4.017 -1.675 1.00 0.31 H new ATOM 0 HG LEU A 70 -5.634 -5.576 -3.372 1.00 0.36 H new ATOM 0 HD11 LEU A 70 -3.222 -5.434 -3.937 1.00 0.43 H new ATOM 0 HD12 LEU A 70 -4.092 -3.973 -4.465 1.00 0.43 H new ATOM 0 HD13 LEU A 70 -3.090 -3.930 -2.995 1.00 0.43 H new ATOM 0 HD21 LEU A 70 -3.957 -6.653 -1.886 1.00 0.46 H new ATOM 0 HD22 LEU A 70 -3.835 -5.151 -0.938 1.00 0.46 H new ATOM 0 HD23 LEU A 70 -5.358 -6.073 -0.954 1.00 0.46 H new ATOM 1123 N TYR A 71 -6.718 -4.183 -5.479 1.00 0.26 N ATOM 1124 CA TYR A 71 -7.596 -4.996 -6.375 1.00 0.30 C ATOM 1125 C TYR A 71 -6.802 -6.183 -6.926 1.00 0.30 C ATOM 1126 O TYR A 71 -5.604 -6.099 -7.132 1.00 0.37 O ATOM 1127 CB TYR A 71 -8.083 -4.127 -7.538 1.00 0.36 C ATOM 1128 CG TYR A 71 -9.064 -3.098 -7.030 1.00 0.34 C ATOM 1129 CD1 TYR A 71 -10.424 -3.416 -6.932 1.00 0.67 C ATOM 1130 CD2 TYR A 71 -8.614 -1.826 -6.656 1.00 0.49 C ATOM 1131 CE1 TYR A 71 -11.334 -2.461 -6.463 1.00 0.84 C ATOM 1132 CE2 TYR A 71 -9.522 -0.871 -6.187 1.00 0.69 C ATOM 1133 CZ TYR A 71 -10.883 -1.190 -6.090 1.00 0.77 C ATOM 1134 OH TYR A 71 -11.780 -0.248 -5.627 1.00 1.04 O ATOM 0 H TYR A 71 -5.773 -4.027 -5.830 1.00 0.26 H new ATOM 0 HA TYR A 71 -8.453 -5.361 -5.809 1.00 0.30 H new ATOM 0 HB2 TYR A 71 -7.236 -3.632 -8.014 1.00 0.36 H new ATOM 0 HB3 TYR A 71 -8.556 -4.750 -8.297 1.00 0.36 H new ATOM 0 HD1 TYR A 71 -10.771 -4.398 -7.218 1.00 0.67 H new ATOM 0 HD2 TYR A 71 -7.565 -1.582 -6.730 1.00 0.49 H new ATOM 0 HE1 TYR A 71 -12.383 -2.705 -6.389 1.00 0.84 H new ATOM 0 HE2 TYR A 71 -9.175 0.111 -5.900 1.00 0.69 H new ATOM 0 HH TYR A 71 -11.302 0.580 -5.411 1.00 1.04 H new ATOM 1144 N TYR A 72 -7.464 -7.289 -7.166 1.00 0.33 N ATOM 1145 CA TYR A 72 -6.755 -8.489 -7.705 1.00 0.35 C ATOM 1146 C TYR A 72 -6.997 -8.591 -9.214 1.00 0.36 C ATOM 1147 O TYR A 72 -8.096 -8.873 -9.659 1.00 0.45 O ATOM 1148 CB TYR A 72 -7.280 -9.751 -7.013 1.00 0.43 C ATOM 1149 CG TYR A 72 -6.746 -9.813 -5.602 1.00 0.42 C ATOM 1150 CD1 TYR A 72 -5.385 -10.052 -5.381 1.00 1.22 C ATOM 1151 CD2 TYR A 72 -7.609 -9.625 -4.515 1.00 1.21 C ATOM 1152 CE1 TYR A 72 -4.888 -10.106 -4.074 1.00 1.26 C ATOM 1153 CE2 TYR A 72 -7.110 -9.681 -3.207 1.00 1.27 C ATOM 1154 CZ TYR A 72 -5.749 -9.920 -2.987 1.00 0.68 C ATOM 1155 OH TYR A 72 -5.256 -9.974 -1.698 1.00 0.86 O ATOM 0 H TYR A 72 -8.465 -7.411 -7.011 1.00 0.33 H new ATOM 0 HA TYR A 72 -5.686 -8.393 -7.516 1.00 0.35 H new ATOM 0 HB2 TYR A 72 -8.370 -9.745 -7.000 1.00 0.43 H new ATOM 0 HB3 TYR A 72 -6.973 -10.637 -7.568 1.00 0.43 H new ATOM 0 HD1 TYR A 72 -4.719 -10.195 -6.219 1.00 1.22 H new ATOM 0 HD2 TYR A 72 -8.659 -9.437 -4.685 1.00 1.21 H new ATOM 0 HE1 TYR A 72 -3.838 -10.292 -3.904 1.00 1.26 H new ATOM 0 HE2 TYR A 72 -7.776 -9.540 -2.369 1.00 1.27 H new ATOM 0 HH TYR A 72 -5.986 -9.823 -1.062 1.00 0.86 H new ATOM 1165 N LEU A 73 -5.974 -8.362 -10.004 1.00 0.40 N ATOM 1166 CA LEU A 73 -6.129 -8.442 -11.488 1.00 0.47 C ATOM 1167 C LEU A 73 -4.787 -8.835 -12.126 1.00 0.77 C ATOM 1168 O LEU A 73 -4.715 -9.920 -12.679 1.00 1.00 O ATOM 1169 CB LEU A 73 -6.584 -7.082 -12.027 1.00 0.56 C ATOM 1170 CG LEU A 73 -7.872 -7.256 -12.837 1.00 0.82 C ATOM 1171 CD1 LEU A 73 -8.967 -6.364 -12.250 1.00 1.36 C ATOM 1172 CD2 LEU A 73 -7.618 -6.860 -14.295 1.00 1.15 C ATOM 1173 OXT LEU A 73 -3.854 -8.047 -12.050 1.00 0.97 O ATOM 0 H LEU A 73 -5.036 -8.123 -9.681 1.00 0.40 H new ATOM 0 HA LEU A 73 -6.876 -9.196 -11.737 1.00 0.47 H new ATOM 0 HB2 LEU A 73 -6.752 -6.390 -11.202 1.00 0.56 H new ATOM 0 HB3 LEU A 73 -5.804 -6.648 -12.653 1.00 0.56 H new ATOM 0 HG LEU A 73 -8.189 -8.298 -12.794 1.00 0.82 H new ATOM 0 HD11 LEU A 73 -9.884 -6.487 -12.826 1.00 1.36 H new ATOM 0 HD12 LEU A 73 -9.149 -6.646 -11.213 1.00 1.36 H new ATOM 0 HD13 LEU A 73 -8.649 -5.322 -12.292 1.00 1.36 H new ATOM 0 HD21 LEU A 73 -8.535 -6.984 -14.871 1.00 1.15 H new ATOM 0 HD22 LEU A 73 -7.300 -5.818 -14.339 1.00 1.15 H new ATOM 0 HD23 LEU A 73 -6.838 -7.495 -14.714 1.00 1.15 H new