USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 814 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 61 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -139:sc= -0.809 (180deg=-2.39!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc=-0.000577 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -2 K(o=-2,f=-2.7!) USER MOD Single : A 22 LYS NZ :NH3+ -160:sc= -0.0707 (180deg=-0.596) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.7!) USER MOD Single : A 40 ASN : amide:sc= -1.23 K(o=-1.2,f=-2!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.441 USER MOD Single : A 43 LYS NZ :NH3+ -162:sc= -0.0708 (180deg=-0.471) USER MOD Single : A 45 GLN : amide:sc= -4.59! K(o=-4.6!,f=-2) USER MOD Single : A 47 SER OG : rot -78:sc= 0.589 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.433 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.779 X(o=-0.78,f=-1.3) USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= -0.528 (180deg=-0.758) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.47 X(o=-1.5,f=-1.8) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -27:sc= 0.44 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -152:sc= -0.0679 (180deg=-0.68) USER MOD Single : A 87 LYS NZ :NH3+ -161:sc= -0.0473 (180deg=-0.552) USER MOD Single : A 93 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-3!) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -2.22 K(o=-2.2,f=-7.2!) USER MOD Single : A 96 HIS : no HE2:sc= 0.646 K(o=0.65,f=-3.2!) USER MOD Single : A 97 HIS : no HD1:sc= -0.569 K(o=-0.57,f=-1.4) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.467 13.696 14.867 1.00 1.00 N ATOM 2 CA MET A 1 -5.268 12.251 15.171 1.00 1.00 C ATOM 3 C MET A 1 -4.883 11.523 13.881 1.00 1.00 C ATOM 4 O MET A 1 -4.311 10.434 13.911 1.00 1.00 O ATOM 5 CB MET A 1 -6.578 11.670 15.744 1.00 1.00 C ATOM 6 CG MET A 1 -6.929 12.357 17.079 1.00 1.00 C ATOM 7 SD MET A 1 -8.475 11.655 17.738 1.00 1.00 S ATOM 8 CE MET A 1 -7.786 10.283 18.707 1.00 1.00 C ATOM 0 H1 MET A 1 -5.055 14.271 15.629 1.00 1.00 H new ATOM 0 H2 MET A 1 -5.001 13.929 13.967 1.00 1.00 H new ATOM 0 H3 MET A 1 -6.484 13.898 14.792 1.00 1.00 H new ATOM 0 HA MET A 1 -4.473 12.123 15.906 1.00 1.00 H new ATOM 0 HB2 MET A 1 -7.389 11.811 15.030 1.00 1.00 H new ATOM 0 HB3 MET A 1 -6.471 10.596 15.897 1.00 1.00 H new ATOM 0 HG2 MET A 1 -6.120 12.217 17.796 1.00 1.00 H new ATOM 0 HG3 MET A 1 -7.040 13.431 16.929 1.00 1.00 H new ATOM 0 HE1 MET A 1 -8.596 9.734 19.188 1.00 1.00 H new ATOM 0 HE2 MET A 1 -7.235 9.613 18.048 1.00 1.00 H new ATOM 0 HE3 MET A 1 -7.113 10.677 19.468 1.00 1.00 H new ATOM 20 N LYS A 2 -5.205 12.130 12.743 1.00 1.00 N ATOM 21 CA LYS A 2 -4.908 11.540 11.413 1.00 1.00 C ATOM 22 C LYS A 2 -4.352 12.608 10.465 1.00 1.00 C ATOM 23 O LYS A 2 -4.528 13.808 10.672 1.00 1.00 O ATOM 24 CB LYS A 2 -6.200 10.930 10.815 1.00 1.00 C ATOM 25 CG LYS A 2 -6.699 9.761 11.699 1.00 1.00 C ATOM 26 CD LYS A 2 -7.972 9.129 11.089 1.00 1.00 C ATOM 27 CE LYS A 2 -8.469 7.969 11.974 1.00 1.00 C ATOM 28 NZ LYS A 2 -9.692 7.370 11.368 1.00 1.00 N ATOM 0 H LYS A 2 -5.674 13.035 12.700 1.00 1.00 H new ATOM 0 HA LYS A 2 -4.158 10.758 11.535 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -6.972 11.696 10.742 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -6.008 10.574 9.803 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -5.918 9.006 11.789 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -6.911 10.122 12.705 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -8.752 9.884 10.995 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -7.760 8.764 10.084 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -7.690 7.212 12.071 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -8.688 8.332 12.978 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -10.028 6.587 11.965 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -10.435 8.094 11.297 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -9.468 7.010 10.418 1.00 1.00 H new ATOM 42 N THR A 3 -3.673 12.146 9.420 1.00 1.00 N ATOM 43 CA THR A 3 -3.082 13.037 8.417 1.00 1.00 C ATOM 44 C THR A 3 -2.000 13.929 9.050 1.00 1.00 C ATOM 45 O THR A 3 -1.609 14.949 8.483 1.00 1.00 O ATOM 46 CB THR A 3 -4.205 13.892 7.735 1.00 1.00 C ATOM 47 OG1 THR A 3 -5.378 13.097 7.638 1.00 1.00 O ATOM 48 CG2 THR A 3 -3.798 14.353 6.317 1.00 1.00 C ATOM 0 H THR A 3 -3.516 11.154 9.242 1.00 1.00 H new ATOM 0 HA THR A 3 -2.598 12.435 7.648 1.00 1.00 H new ATOM 0 HB THR A 3 -4.375 14.781 8.342 1.00 1.00 H new ATOM 0 HG1 THR A 3 -6.092 13.618 7.215 1.00 1.00 H new ATOM 0 HG21 THR A 3 -4.604 14.942 5.881 1.00 1.00 H new ATOM 0 HG22 THR A 3 -2.896 14.961 6.377 1.00 1.00 H new ATOM 0 HG23 THR A 3 -3.607 13.481 5.692 1.00 1.00 H new ATOM 56 N LEU A 4 -1.518 13.532 10.223 1.00 1.00 N ATOM 57 CA LEU A 4 -0.487 14.294 10.940 1.00 1.00 C ATOM 58 C LEU A 4 0.839 14.304 10.164 1.00 1.00 C ATOM 59 O LEU A 4 1.220 15.317 9.577 1.00 1.00 O ATOM 60 CB LEU A 4 -0.268 13.675 12.346 1.00 1.00 C ATOM 61 CG LEU A 4 -1.603 13.581 13.148 1.00 1.00 C ATOM 62 CD1 LEU A 4 -1.328 12.892 14.510 1.00 1.00 C ATOM 63 CD2 LEU A 4 -2.241 14.993 13.383 1.00 1.00 C ATOM 0 H LEU A 4 -1.822 12.685 10.703 1.00 1.00 H new ATOM 0 HA LEU A 4 -0.829 15.324 11.039 1.00 1.00 H new ATOM 0 HB2 LEU A 4 0.165 12.680 12.242 1.00 1.00 H new ATOM 0 HB3 LEU A 4 0.449 14.279 12.902 1.00 1.00 H new ATOM 0 HG LEU A 4 -2.313 12.995 12.565 1.00 1.00 H new ATOM 0 HD11 LEU A 4 -2.257 12.823 15.077 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -0.932 11.891 14.338 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -0.602 13.477 15.074 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -3.169 14.884 13.945 1.00 1.00 H new ATOM 0 HD22 LEU A 4 -1.547 15.617 13.946 1.00 1.00 H new ATOM 0 HD23 LEU A 4 -2.452 15.462 12.422 1.00 1.00 H new ATOM 75 N TYR A 5 1.540 13.174 10.172 1.00 1.00 N ATOM 76 CA TYR A 5 2.827 13.047 9.480 1.00 1.00 C ATOM 77 C TYR A 5 3.312 11.595 9.547 1.00 1.00 C ATOM 78 O TYR A 5 4.472 11.309 9.249 1.00 1.00 O ATOM 79 CB TYR A 5 3.881 13.984 10.125 1.00 1.00 C ATOM 80 CG TYR A 5 3.927 13.728 11.640 1.00 1.00 C ATOM 81 CD1 TYR A 5 4.726 12.689 12.158 1.00 1.00 C ATOM 82 CD2 TYR A 5 3.169 14.523 12.527 1.00 1.00 C ATOM 83 CE1 TYR A 5 4.766 12.454 13.540 1.00 1.00 C ATOM 84 CE2 TYR A 5 3.215 14.278 13.907 1.00 1.00 C ATOM 85 CZ TYR A 5 4.011 13.246 14.410 1.00 1.00 C ATOM 86 OH TYR A 5 4.054 13.008 15.769 1.00 1.00 O ATOM 0 H TYR A 5 1.239 12.326 10.652 1.00 1.00 H new ATOM 0 HA TYR A 5 2.694 13.335 8.437 1.00 1.00 H new ATOM 0 HB2 TYR A 5 4.862 13.805 9.684 1.00 1.00 H new ATOM 0 HB3 TYR A 5 3.628 15.026 9.928 1.00 1.00 H new ATOM 0 HD1 TYR A 5 5.309 12.073 11.489 1.00 1.00 H new ATOM 0 HD2 TYR A 5 2.552 15.322 12.142 1.00 1.00 H new ATOM 0 HE1 TYR A 5 5.382 11.659 13.933 1.00 1.00 H new ATOM 0 HE2 TYR A 5 2.634 14.888 14.582 1.00 1.00 H new ATOM 0 HH TYR A 5 3.473 13.648 16.232 1.00 1.00 H new ATOM 96 N ASP A 6 2.428 10.675 9.916 1.00 1.00 N ATOM 97 CA ASP A 6 2.771 9.252 10.020 1.00 1.00 C ATOM 98 C ASP A 6 3.122 8.687 8.645 1.00 1.00 C ATOM 99 O ASP A 6 3.598 7.559 8.532 1.00 1.00 O ATOM 100 CB ASP A 6 1.574 8.479 10.610 1.00 1.00 C ATOM 101 CG ASP A 6 1.237 9.019 12.001 1.00 1.00 C ATOM 102 OD1 ASP A 6 2.161 9.236 12.765 1.00 1.00 O ATOM 103 OD2 ASP A 6 0.062 9.209 12.279 1.00 1.00 O ATOM 0 H ASP A 6 1.458 10.887 10.151 1.00 1.00 H new ATOM 0 HA ASP A 6 3.637 9.143 10.673 1.00 1.00 H new ATOM 0 HB2 ASP A 6 0.709 8.576 9.954 1.00 1.00 H new ATOM 0 HB3 ASP A 6 1.811 7.417 10.671 1.00 1.00 H new ATOM 108 N LEU A 7 2.879 9.480 7.606 1.00 1.00 N ATOM 109 CA LEU A 7 3.164 9.070 6.230 1.00 1.00 C ATOM 110 C LEU A 7 2.407 7.764 5.882 1.00 1.00 C ATOM 111 O LEU A 7 3.030 6.704 5.818 1.00 1.00 O ATOM 112 CB LEU A 7 4.705 8.889 6.035 1.00 1.00 C ATOM 113 CG LEU A 7 5.100 8.779 4.499 1.00 1.00 C ATOM 114 CD1 LEU A 7 5.302 10.188 3.875 1.00 1.00 C ATOM 115 CD2 LEU A 7 6.411 7.962 4.331 1.00 1.00 C ATOM 0 H LEU A 7 2.483 10.416 7.689 1.00 1.00 H new ATOM 0 HA LEU A 7 2.817 9.849 5.552 1.00 1.00 H new ATOM 0 HB2 LEU A 7 5.229 9.732 6.485 1.00 1.00 H new ATOM 0 HB3 LEU A 7 5.034 7.992 6.560 1.00 1.00 H new ATOM 0 HG LEU A 7 4.283 8.272 3.985 1.00 1.00 H new ATOM 0 HD11 LEU A 7 5.572 10.085 2.824 1.00 1.00 H new ATOM 0 HD12 LEU A 7 4.377 10.759 3.958 1.00 1.00 H new ATOM 0 HD13 LEU A 7 6.099 10.710 4.405 1.00 1.00 H new ATOM 0 HD21 LEU A 7 6.666 7.897 3.273 1.00 1.00 H new ATOM 0 HD22 LEU A 7 7.219 8.457 4.870 1.00 1.00 H new ATOM 0 HD23 LEU A 7 6.268 6.959 4.732 1.00 1.00 H new ATOM 127 N PRO A 8 1.123 7.809 5.657 1.00 1.00 N ATOM 128 CA PRO A 8 0.318 6.579 5.301 1.00 1.00 C ATOM 129 C PRO A 8 0.868 5.864 4.061 1.00 1.00 C ATOM 130 O PRO A 8 2.051 5.957 3.735 1.00 1.00 O ATOM 131 CB PRO A 8 -1.121 7.143 5.060 1.00 1.00 C ATOM 132 CG PRO A 8 -1.157 8.378 5.912 1.00 1.00 C ATOM 133 CD PRO A 8 0.234 9.005 5.717 1.00 1.00 C ATOM 0 HA PRO A 8 0.349 5.819 6.082 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -1.291 7.375 4.009 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -1.888 6.428 5.357 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -1.949 9.057 5.597 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -1.343 8.136 6.958 1.00 1.00 H new ATOM 0 HD2 PRO A 8 0.288 9.597 4.803 1.00 1.00 H new ATOM 0 HD3 PRO A 8 0.500 9.667 6.541 1.00 1.00 H new ATOM 141 N ILE A 9 -0.012 5.154 3.361 1.00 1.00 N ATOM 142 CA ILE A 9 0.369 4.416 2.156 1.00 1.00 C ATOM 143 C ILE A 9 0.482 5.397 0.979 1.00 1.00 C ATOM 144 O ILE A 9 -0.361 6.267 0.764 1.00 1.00 O ATOM 145 CB ILE A 9 -0.696 3.316 1.849 1.00 1.00 C ATOM 146 CG1 ILE A 9 -0.792 2.337 3.067 1.00 1.00 C ATOM 147 CG2 ILE A 9 -0.301 2.520 0.563 1.00 1.00 C ATOM 148 CD1 ILE A 9 -1.967 1.358 2.903 1.00 1.00 C ATOM 0 H ILE A 9 -0.999 5.073 3.607 1.00 1.00 H new ATOM 0 HA ILE A 9 1.332 3.930 2.310 1.00 1.00 H new ATOM 0 HB ILE A 9 -1.662 3.792 1.681 1.00 1.00 H new ATOM 0 HG12 ILE A 9 0.139 1.779 3.162 1.00 1.00 H new ATOM 0 HG13 ILE A 9 -0.917 2.908 3.987 1.00 1.00 H new ATOM 0 HG21 ILE A 9 -1.053 1.757 0.362 1.00 1.00 H new ATOM 0 HG22 ILE A 9 -0.242 3.203 -0.284 1.00 1.00 H new ATOM 0 HG23 ILE A 9 0.668 2.044 0.713 1.00 1.00 H new ATOM 0 HD11 ILE A 9 -2.008 0.691 3.764 1.00 1.00 H new ATOM 0 HD12 ILE A 9 -2.900 1.918 2.833 1.00 1.00 H new ATOM 0 HD13 ILE A 9 -1.827 0.771 1.996 1.00 1.00 H new ATOM 160 N VAL A 10 1.535 5.217 0.187 1.00 1.00 N ATOM 161 CA VAL A 10 1.803 6.074 -0.990 1.00 1.00 C ATOM 162 C VAL A 10 1.557 5.278 -2.259 1.00 1.00 C ATOM 163 O VAL A 10 1.912 4.102 -2.355 1.00 1.00 O ATOM 164 CB VAL A 10 3.275 6.576 -0.957 1.00 1.00 C ATOM 165 CG1 VAL A 10 3.530 7.599 -2.103 1.00 1.00 C ATOM 166 CG2 VAL A 10 3.556 7.251 0.409 1.00 1.00 C ATOM 0 H VAL A 10 2.228 4.483 0.331 1.00 1.00 H new ATOM 0 HA VAL A 10 1.137 6.936 -0.968 1.00 1.00 H new ATOM 0 HB VAL A 10 3.940 5.724 -1.095 1.00 1.00 H new ATOM 0 HG11 VAL A 10 4.565 7.939 -2.064 1.00 1.00 H new ATOM 0 HG12 VAL A 10 3.341 7.122 -3.065 1.00 1.00 H new ATOM 0 HG13 VAL A 10 2.863 8.453 -1.984 1.00 1.00 H new ATOM 0 HG21 VAL A 10 4.587 7.604 0.435 1.00 1.00 H new ATOM 0 HG22 VAL A 10 2.880 8.095 0.544 1.00 1.00 H new ATOM 0 HG23 VAL A 10 3.399 6.529 1.211 1.00 1.00 H new ATOM 176 N LEU A 11 0.956 5.914 -3.258 1.00 1.00 N ATOM 177 CA LEU A 11 0.661 5.223 -4.530 1.00 1.00 C ATOM 178 C LEU A 11 1.774 5.512 -5.556 1.00 1.00 C ATOM 179 O LEU A 11 2.018 6.656 -5.939 1.00 1.00 O ATOM 180 CB LEU A 11 -0.737 5.675 -5.079 1.00 1.00 C ATOM 181 CG LEU A 11 -1.431 4.554 -5.957 1.00 1.00 C ATOM 182 CD1 LEU A 11 -0.458 3.909 -6.975 1.00 1.00 C ATOM 183 CD2 LEU A 11 -2.071 3.444 -5.069 1.00 1.00 C ATOM 0 H LEU A 11 0.663 6.891 -3.225 1.00 1.00 H new ATOM 0 HA LEU A 11 0.626 4.148 -4.354 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -1.387 5.932 -4.243 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -0.615 6.578 -5.677 1.00 1.00 H new ATOM 0 HG LEU A 11 -2.218 5.059 -6.517 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -0.985 3.148 -7.550 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -0.077 4.675 -7.650 1.00 1.00 H new ATOM 0 HD13 LEU A 11 0.374 3.449 -6.442 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -2.538 2.692 -5.706 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -1.298 2.975 -4.460 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -2.825 3.888 -4.419 1.00 1.00 H new ATOM 195 N ARG A 12 2.449 4.457 -5.997 1.00 1.00 N ATOM 196 CA ARG A 12 3.544 4.570 -6.991 1.00 1.00 C ATOM 197 C ARG A 12 3.089 4.017 -8.340 1.00 1.00 C ATOM 198 O ARG A 12 2.210 3.160 -8.428 1.00 1.00 O ATOM 199 CB ARG A 12 4.796 3.806 -6.487 1.00 1.00 C ATOM 200 CG ARG A 12 5.996 3.986 -7.464 1.00 1.00 C ATOM 201 CD ARG A 12 7.276 3.362 -6.872 1.00 1.00 C ATOM 202 NE ARG A 12 8.389 3.548 -7.808 1.00 1.00 N ATOM 203 CZ ARG A 12 9.636 3.149 -7.529 1.00 1.00 C ATOM 204 NH1 ARG A 12 9.907 2.555 -6.397 1.00 1.00 N ATOM 205 NH2 ARG A 12 10.591 3.354 -8.398 1.00 1.00 N ATOM 0 H ARG A 12 2.266 3.502 -5.688 1.00 1.00 H new ATOM 0 HA ARG A 12 3.803 5.621 -7.117 1.00 1.00 H new ATOM 0 HB2 ARG A 12 5.072 4.168 -5.497 1.00 1.00 H new ATOM 0 HB3 ARG A 12 4.562 2.746 -6.385 1.00 1.00 H new ATOM 0 HG2 ARG A 12 5.766 3.518 -8.421 1.00 1.00 H new ATOM 0 HG3 ARG A 12 6.158 5.046 -7.658 1.00 1.00 H new ATOM 0 HD2 ARG A 12 7.511 3.827 -5.914 1.00 1.00 H new ATOM 0 HD3 ARG A 12 7.121 2.300 -6.681 1.00 1.00 H new ATOM 0 HE ARG A 12 8.206 3.998 -8.705 1.00 1.00 H new ATOM 0 HH11 ARG A 12 9.165 2.392 -5.716 1.00 1.00 H new ATOM 0 HH12 ARG A 12 10.860 2.255 -6.194 1.00 1.00 H new ATOM 0 HH21 ARG A 12 10.384 3.816 -9.284 1.00 1.00 H new ATOM 0 HH22 ARG A 12 11.543 3.052 -8.190 1.00 1.00 H new ATOM 219 N ASN A 13 3.709 4.511 -9.408 1.00 1.00 N ATOM 220 CA ASN A 13 3.399 4.083 -10.766 1.00 1.00 C ATOM 221 C ASN A 13 1.910 4.291 -11.080 1.00 1.00 C ATOM 222 O ASN A 13 1.258 3.443 -11.688 1.00 1.00 O ATOM 223 CB ASN A 13 3.818 2.603 -10.941 1.00 1.00 C ATOM 224 CG ASN A 13 3.855 2.210 -12.417 1.00 1.00 C ATOM 225 OD1 ASN A 13 3.135 2.780 -13.236 1.00 1.00 O ATOM 226 ND2 ASN A 13 4.668 1.263 -12.803 1.00 1.00 N ATOM 0 H ASN A 13 4.441 5.220 -9.355 1.00 1.00 H new ATOM 0 HA ASN A 13 3.960 4.691 -11.475 1.00 1.00 H new ATOM 0 HB2 ASN A 13 4.800 2.445 -10.495 1.00 1.00 H new ATOM 0 HB3 ASN A 13 3.119 1.959 -10.408 1.00 1.00 H new ATOM 0 HD21 ASN A 13 4.707 0.994 -13.786 1.00 1.00 H new ATOM 0 HD22 ASN A 13 5.263 0.793 -12.121 1.00 1.00 H new ATOM 233 N LEU A 14 1.380 5.434 -10.657 1.00 1.00 N ATOM 234 CA LEU A 14 -0.044 5.756 -10.896 1.00 1.00 C ATOM 235 C LEU A 14 -0.244 6.244 -12.359 1.00 1.00 C ATOM 236 O LEU A 14 0.305 7.299 -12.681 1.00 1.00 O ATOM 237 CB LEU A 14 -0.515 6.907 -9.945 1.00 1.00 C ATOM 238 CG LEU A 14 -2.047 7.278 -10.161 1.00 1.00 C ATOM 239 CD1 LEU A 14 -2.999 6.253 -9.502 1.00 1.00 C ATOM 240 CD2 LEU A 14 -2.343 8.687 -9.592 1.00 1.00 C ATOM 0 H LEU A 14 1.898 6.153 -10.152 1.00 1.00 H new ATOM 0 HA LEU A 14 -0.624 4.852 -10.709 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -0.359 6.607 -8.909 1.00 1.00 H new ATOM 0 HB3 LEU A 14 0.099 7.791 -10.117 1.00 1.00 H new ATOM 0 HG LEU A 14 -2.227 7.262 -11.236 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -4.033 6.551 -9.678 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -2.827 5.267 -9.934 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -2.809 6.217 -8.429 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -3.395 8.928 -9.746 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -2.120 8.703 -8.525 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -1.723 9.423 -10.103 1.00 1.00 H new ATOM 252 N PRO A 15 -1.068 5.624 -13.159 1.00 1.00 N ATOM 253 CA PRO A 15 -1.346 6.186 -14.533 1.00 1.00 C ATOM 254 C PRO A 15 -1.851 7.657 -14.464 1.00 1.00 C ATOM 255 O PRO A 15 -2.440 8.105 -13.482 1.00 1.00 O ATOM 256 CB PRO A 15 -2.373 5.194 -15.159 1.00 1.00 C ATOM 257 CG PRO A 15 -2.160 3.909 -14.386 1.00 1.00 C ATOM 258 CD PRO A 15 -1.793 4.347 -12.956 1.00 1.00 C ATOM 0 HA PRO A 15 -0.451 6.257 -15.152 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -3.395 5.558 -15.054 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -2.193 5.053 -16.225 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -3.060 3.295 -14.390 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -1.364 3.311 -14.830 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -2.680 4.483 -12.338 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -1.168 3.606 -12.457 1.00 1.00 H new ATOM 266 N GLU A 16 -1.561 8.426 -15.509 1.00 1.00 N ATOM 267 CA GLU A 16 -1.944 9.861 -15.564 1.00 1.00 C ATOM 268 C GLU A 16 -3.429 10.068 -15.915 1.00 1.00 C ATOM 269 O GLU A 16 -4.003 11.123 -15.643 1.00 1.00 O ATOM 270 CB GLU A 16 -1.038 10.591 -16.585 1.00 1.00 C ATOM 271 CG GLU A 16 -1.185 9.964 -17.992 1.00 1.00 C ATOM 272 CD GLU A 16 -0.252 10.666 -18.982 1.00 1.00 C ATOM 273 OE1 GLU A 16 0.929 10.357 -18.975 1.00 1.00 O ATOM 274 OE2 GLU A 16 -0.733 11.504 -19.727 1.00 1.00 O ATOM 0 H GLU A 16 -1.063 8.094 -16.335 1.00 1.00 H new ATOM 0 HA GLU A 16 -1.802 10.282 -14.569 1.00 1.00 H new ATOM 0 HB2 GLU A 16 -1.302 11.648 -16.623 1.00 1.00 H new ATOM 0 HB3 GLU A 16 0.002 10.534 -16.263 1.00 1.00 H new ATOM 0 HG2 GLU A 16 -0.950 8.900 -17.951 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -2.218 10.050 -18.330 1.00 1.00 H new ATOM 281 N ASP A 17 -4.044 9.062 -16.530 1.00 1.00 N ATOM 282 CA ASP A 17 -5.467 9.137 -16.947 1.00 1.00 C ATOM 283 C ASP A 17 -6.401 8.489 -15.911 1.00 1.00 C ATOM 284 O ASP A 17 -7.623 8.485 -16.059 1.00 1.00 O ATOM 285 CB ASP A 17 -5.596 8.413 -18.298 1.00 1.00 C ATOM 286 CG ASP A 17 -4.700 9.087 -19.343 1.00 1.00 C ATOM 287 OD1 ASP A 17 -4.562 10.300 -19.288 1.00 1.00 O ATOM 288 OD2 ASP A 17 -4.177 8.382 -20.190 1.00 1.00 O ATOM 0 H ASP A 17 -3.590 8.177 -16.757 1.00 1.00 H new ATOM 0 HA ASP A 17 -5.763 10.182 -17.031 1.00 1.00 H new ATOM 0 HB2 ASP A 17 -5.314 7.366 -18.187 1.00 1.00 H new ATOM 0 HB3 ASP A 17 -6.634 8.430 -18.631 1.00 1.00 H new ATOM 293 N LEU A 18 -5.815 7.930 -14.858 1.00 1.00 N ATOM 294 CA LEU A 18 -6.592 7.265 -13.783 1.00 1.00 C ATOM 295 C LEU A 18 -6.309 7.945 -12.443 1.00 1.00 C ATOM 296 O LEU A 18 -5.218 8.472 -12.219 1.00 1.00 O ATOM 297 CB LEU A 18 -6.193 5.768 -13.696 1.00 1.00 C ATOM 298 CG LEU A 18 -6.400 5.032 -15.068 1.00 1.00 C ATOM 299 CD1 LEU A 18 -5.903 3.529 -15.007 1.00 1.00 C ATOM 300 CD2 LEU A 18 -7.899 5.119 -15.533 1.00 1.00 C ATOM 0 H LEU A 18 -4.805 7.917 -14.713 1.00 1.00 H new ATOM 0 HA LEU A 18 -7.655 7.344 -14.012 1.00 1.00 H new ATOM 0 HB2 LEU A 18 -5.149 5.686 -13.393 1.00 1.00 H new ATOM 0 HB3 LEU A 18 -6.788 5.277 -12.926 1.00 1.00 H new ATOM 0 HG LEU A 18 -5.788 5.544 -15.810 1.00 1.00 H new ATOM 0 HD11 LEU A 18 -6.063 3.053 -15.975 1.00 1.00 H new ATOM 0 HD12 LEU A 18 -4.841 3.507 -14.763 1.00 1.00 H new ATOM 0 HD13 LEU A 18 -6.463 2.991 -14.242 1.00 1.00 H new ATOM 0 HD21 LEU A 18 -8.015 4.602 -16.485 1.00 1.00 H new ATOM 0 HD22 LEU A 18 -8.540 4.651 -14.785 1.00 1.00 H new ATOM 0 HD23 LEU A 18 -8.183 6.165 -15.651 1.00 1.00 H new ATOM 312 N VAL A 19 -7.274 7.916 -11.529 1.00 1.00 N ATOM 313 CA VAL A 19 -7.104 8.528 -10.188 1.00 1.00 C ATOM 314 C VAL A 19 -7.768 7.665 -9.129 1.00 1.00 C ATOM 315 O VAL A 19 -8.705 6.910 -9.389 1.00 1.00 O ATOM 316 CB VAL A 19 -7.700 9.968 -10.137 1.00 1.00 C ATOM 317 CG1 VAL A 19 -6.946 10.893 -11.123 1.00 1.00 C ATOM 318 CG2 VAL A 19 -9.216 9.945 -10.484 1.00 1.00 C ATOM 0 H VAL A 19 -8.184 7.480 -11.678 1.00 1.00 H new ATOM 0 HA VAL A 19 -6.034 8.593 -9.989 1.00 1.00 H new ATOM 0 HB VAL A 19 -7.581 10.354 -9.125 1.00 1.00 H new ATOM 0 HG11 VAL A 19 -7.371 11.896 -11.079 1.00 1.00 H new ATOM 0 HG12 VAL A 19 -5.892 10.933 -10.850 1.00 1.00 H new ATOM 0 HG13 VAL A 19 -7.044 10.502 -12.136 1.00 1.00 H new ATOM 0 HG21 VAL A 19 -9.614 10.959 -10.443 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -9.354 9.541 -11.487 1.00 1.00 H new ATOM 0 HG23 VAL A 19 -9.744 9.319 -9.765 1.00 1.00 H new ATOM 328 N LEU A 20 -7.272 7.801 -7.903 1.00 1.00 N ATOM 329 CA LEU A 20 -7.768 7.057 -6.739 1.00 1.00 C ATOM 330 C LEU A 20 -8.750 7.935 -5.961 1.00 1.00 C ATOM 331 O LEU A 20 -8.590 9.153 -5.876 1.00 1.00 O ATOM 332 CB LEU A 20 -6.522 6.647 -5.851 1.00 1.00 C ATOM 333 CG LEU A 20 -6.548 5.133 -5.452 1.00 1.00 C ATOM 334 CD1 LEU A 20 -5.207 4.725 -4.815 1.00 1.00 C ATOM 335 CD2 LEU A 20 -7.713 4.843 -4.473 1.00 1.00 C ATOM 0 H LEU A 20 -6.506 8.437 -7.682 1.00 1.00 H new ATOM 0 HA LEU A 20 -8.298 6.154 -7.042 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -5.603 6.861 -6.397 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -6.505 7.258 -4.948 1.00 1.00 H new ATOM 0 HG LEU A 20 -6.703 4.545 -6.356 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -5.240 3.670 -4.543 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -4.400 4.891 -5.529 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -5.031 5.325 -3.922 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -7.712 3.785 -4.209 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -7.588 5.442 -3.571 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -8.660 5.097 -4.949 1.00 1.00 H new ATOM 347 N GLU A 21 -9.772 7.314 -5.381 1.00 1.00 N ATOM 348 CA GLU A 21 -10.791 8.033 -4.595 1.00 1.00 C ATOM 349 C GLU A 21 -10.201 8.609 -3.302 1.00 1.00 C ATOM 350 O GLU A 21 -10.523 9.726 -2.895 1.00 1.00 O ATOM 351 CB GLU A 21 -11.951 7.065 -4.222 1.00 1.00 C ATOM 352 CG GLU A 21 -12.405 6.267 -5.458 1.00 1.00 C ATOM 353 CD GLU A 21 -12.909 7.200 -6.565 1.00 1.00 C ATOM 354 OE1 GLU A 21 -13.429 8.255 -6.238 1.00 1.00 O ATOM 355 OE2 GLU A 21 -12.756 6.846 -7.722 1.00 1.00 O ATOM 0 H GLU A 21 -9.924 6.307 -5.436 1.00 1.00 H new ATOM 0 HA GLU A 21 -11.161 8.854 -5.210 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -11.624 6.380 -3.440 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -12.790 7.632 -3.819 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -11.575 5.669 -5.833 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -13.196 5.573 -5.175 1.00 1.00 H new ATOM 362 N LYS A 22 -9.347 7.834 -2.642 1.00 1.00 N ATOM 363 CA LYS A 22 -8.730 8.301 -1.358 1.00 1.00 C ATOM 364 C LYS A 22 -7.553 7.388 -0.902 1.00 1.00 C ATOM 365 O LYS A 22 -7.533 6.233 -1.326 1.00 1.00 O ATOM 366 CB LYS A 22 -9.830 8.334 -0.261 1.00 1.00 C ATOM 367 CG LYS A 22 -10.521 6.956 -0.134 1.00 1.00 C ATOM 368 CD LYS A 22 -11.604 7.008 0.972 1.00 1.00 C ATOM 369 CE LYS A 22 -12.333 5.655 1.065 1.00 1.00 C ATOM 370 NZ LYS A 22 -12.999 5.374 -0.235 1.00 1.00 N ATOM 0 H LYS A 22 -9.058 6.904 -2.944 1.00 1.00 H new ATOM 0 HA LYS A 22 -8.317 9.297 -1.520 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -9.388 8.614 0.695 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -10.570 9.096 -0.505 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -10.974 6.678 -1.086 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -9.783 6.190 0.104 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -11.144 7.248 1.931 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -12.319 7.801 0.754 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -11.625 4.862 1.305 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -13.070 5.678 1.868 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -13.750 4.669 -0.095 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -13.413 6.251 -0.610 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -12.300 5.005 -0.911 1.00 1.00 H new ATOM 384 N PRO A 23 -6.625 7.834 -0.101 1.00 1.00 N ATOM 385 CA PRO A 23 -5.477 6.963 0.380 1.00 1.00 C ATOM 386 C PRO A 23 -5.918 5.584 0.898 1.00 1.00 C ATOM 387 O PRO A 23 -6.109 5.362 2.094 1.00 1.00 O ATOM 388 CB PRO A 23 -4.824 7.817 1.503 1.00 1.00 C ATOM 389 CG PRO A 23 -5.031 9.220 1.023 1.00 1.00 C ATOM 390 CD PRO A 23 -6.474 9.218 0.467 1.00 1.00 C ATOM 0 HA PRO A 23 -4.795 6.716 -0.434 1.00 1.00 H new ATOM 0 HB2 PRO A 23 -5.300 7.646 2.468 1.00 1.00 H new ATOM 0 HB3 PRO A 23 -3.766 7.584 1.624 1.00 1.00 H new ATOM 0 HG2 PRO A 23 -4.917 9.940 1.834 1.00 1.00 H new ATOM 0 HG3 PRO A 23 -4.307 9.489 0.254 1.00 1.00 H new ATOM 0 HD2 PRO A 23 -7.207 9.413 1.250 1.00 1.00 H new ATOM 0 HD3 PRO A 23 -6.612 9.983 -0.297 1.00 1.00 H new ATOM 398 N LEU A 24 -6.074 4.652 -0.036 1.00 1.00 N ATOM 399 CA LEU A 24 -6.486 3.221 0.285 1.00 1.00 C ATOM 400 C LEU A 24 -7.385 3.070 1.594 1.00 1.00 C ATOM 401 O LEU A 24 -7.303 3.969 2.431 1.00 1.00 O ATOM 402 CB LEU A 24 -5.161 2.411 0.457 1.00 1.00 C ATOM 403 CG LEU A 24 -4.233 2.441 -0.828 1.00 1.00 C ATOM 404 CD1 LEU A 24 -4.995 2.010 -2.109 1.00 1.00 C ATOM 405 CD2 LEU A 24 -3.544 3.831 -1.053 1.00 1.00 C ATOM 0 H LEU A 24 -5.930 4.826 -1.031 1.00 1.00 H new ATOM 0 HA LEU A 24 -7.112 2.853 -0.528 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -4.607 2.812 1.306 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -5.405 1.376 0.696 1.00 1.00 H new ATOM 0 HG LEU A 24 -3.446 1.712 -0.632 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -4.319 2.046 -2.964 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -5.370 0.994 -1.985 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -5.832 2.687 -2.280 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -2.922 3.788 -1.947 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -4.307 4.599 -1.178 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -2.923 4.073 -0.191 1.00 1.00 H new ATOM 417 N PRO A 25 -8.152 2.030 1.782 1.00 1.00 N ATOM 418 CA PRO A 25 -8.976 1.892 3.041 1.00 1.00 C ATOM 419 C PRO A 25 -8.120 1.854 4.314 1.00 1.00 C ATOM 420 O PRO A 25 -8.617 2.115 5.409 1.00 1.00 O ATOM 421 CB PRO A 25 -9.746 0.548 2.824 1.00 1.00 C ATOM 422 CG PRO A 25 -8.850 -0.201 1.873 1.00 1.00 C ATOM 423 CD PRO A 25 -8.397 0.876 0.876 1.00 1.00 C ATOM 0 HA PRO A 25 -9.635 2.747 3.195 1.00 1.00 H new ATOM 0 HB2 PRO A 25 -9.885 0.006 3.760 1.00 1.00 H new ATOM 0 HB3 PRO A 25 -10.737 0.713 2.401 1.00 1.00 H new ATOM 0 HG2 PRO A 25 -8.002 -0.650 2.391 1.00 1.00 H new ATOM 0 HG3 PRO A 25 -9.383 -1.010 1.374 1.00 1.00 H new ATOM 0 HD2 PRO A 25 -7.499 0.582 0.334 1.00 1.00 H new ATOM 0 HD3 PRO A 25 -9.162 1.094 0.131 1.00 1.00 H new ATOM 431 N GLU A 26 -6.847 1.498 4.175 1.00 1.00 N ATOM 432 CA GLU A 26 -5.895 1.399 5.303 1.00 1.00 C ATOM 433 C GLU A 26 -6.209 0.162 6.145 1.00 1.00 C ATOM 434 O GLU A 26 -7.363 -0.078 6.502 1.00 1.00 O ATOM 435 CB GLU A 26 -5.884 2.689 6.188 1.00 1.00 C ATOM 436 CG GLU A 26 -4.706 2.660 7.196 1.00 1.00 C ATOM 437 CD GLU A 26 -4.669 3.944 8.040 1.00 1.00 C ATOM 438 OE1 GLU A 26 -5.305 4.916 7.658 1.00 1.00 O ATOM 439 OE2 GLU A 26 -3.998 3.935 9.058 1.00 1.00 O ATOM 0 H GLU A 26 -6.432 1.266 3.273 1.00 1.00 H new ATOM 0 HA GLU A 26 -4.894 1.301 4.882 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -5.802 3.570 5.552 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -6.827 2.772 6.728 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -4.804 1.794 7.850 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -3.765 2.548 6.657 1.00 1.00 H new ATOM 446 N VAL A 27 -5.190 -0.630 6.466 1.00 1.00 N ATOM 447 CA VAL A 27 -5.325 -1.878 7.241 1.00 1.00 C ATOM 448 C VAL A 27 -4.146 -2.035 8.219 1.00 1.00 C ATOM 449 O VAL A 27 -3.130 -1.341 8.143 1.00 1.00 O ATOM 450 CB VAL A 27 -5.400 -3.091 6.242 1.00 1.00 C ATOM 451 CG1 VAL A 27 -6.809 -3.176 5.598 1.00 1.00 C ATOM 452 CG2 VAL A 27 -4.333 -2.928 5.122 1.00 1.00 C ATOM 0 H VAL A 27 -4.228 -0.427 6.195 1.00 1.00 H new ATOM 0 HA VAL A 27 -6.239 -1.847 7.834 1.00 1.00 H new ATOM 0 HB VAL A 27 -5.205 -4.007 6.800 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -6.844 -4.020 4.910 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -7.558 -3.312 6.378 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -7.016 -2.255 5.053 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -4.394 -3.773 4.436 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -4.517 -2.003 4.576 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -3.339 -2.894 5.568 1.00 1.00 H new ATOM 462 N SER A 28 -4.294 -2.955 9.166 1.00 1.00 N ATOM 463 CA SER A 28 -3.260 -3.225 10.191 1.00 1.00 C ATOM 464 C SER A 28 -2.243 -4.281 9.698 1.00 1.00 C ATOM 465 O SER A 28 -2.586 -5.238 9.003 1.00 1.00 O ATOM 466 CB SER A 28 -3.946 -3.728 11.471 1.00 1.00 C ATOM 467 OG SER A 28 -4.833 -2.724 11.939 1.00 1.00 O ATOM 0 H SER A 28 -5.126 -3.539 9.255 1.00 1.00 H new ATOM 0 HA SER A 28 -2.716 -2.301 10.390 1.00 1.00 H new ATOM 0 HB2 SER A 28 -4.492 -4.650 11.269 1.00 1.00 H new ATOM 0 HB3 SER A 28 -3.201 -3.959 12.233 1.00 1.00 H new ATOM 0 HG SER A 28 -5.278 -3.035 12.755 1.00 1.00 H new ATOM 473 N VAL A 29 -0.981 -4.103 10.075 1.00 1.00 N ATOM 474 CA VAL A 29 0.124 -5.029 9.685 1.00 1.00 C ATOM 475 C VAL A 29 0.628 -5.789 10.926 1.00 1.00 C ATOM 476 O VAL A 29 0.798 -5.181 11.984 1.00 1.00 O ATOM 477 CB VAL A 29 1.320 -4.201 9.079 1.00 1.00 C ATOM 478 CG1 VAL A 29 0.841 -3.368 7.852 1.00 1.00 C ATOM 479 CG2 VAL A 29 1.949 -3.242 10.147 1.00 1.00 C ATOM 0 H VAL A 29 -0.676 -3.323 10.657 1.00 1.00 H new ATOM 0 HA VAL A 29 -0.252 -5.736 8.945 1.00 1.00 H new ATOM 0 HB VAL A 29 2.082 -4.912 8.760 1.00 1.00 H new ATOM 0 HG11 VAL A 29 1.680 -2.803 7.446 1.00 1.00 H new ATOM 0 HG12 VAL A 29 0.452 -4.039 7.086 1.00 1.00 H new ATOM 0 HG13 VAL A 29 0.056 -2.679 8.164 1.00 1.00 H new ATOM 0 HG21 VAL A 29 2.771 -2.685 9.697 1.00 1.00 H new ATOM 0 HG22 VAL A 29 1.190 -2.545 10.502 1.00 1.00 H new ATOM 0 HG23 VAL A 29 2.324 -3.828 10.986 1.00 1.00 H new ATOM 489 N THR A 30 0.910 -7.083 10.820 1.00 1.00 N ATOM 490 CA THR A 30 1.428 -7.864 11.969 1.00 1.00 C ATOM 491 C THR A 30 2.825 -8.367 11.642 1.00 1.00 C ATOM 492 O THR A 30 3.001 -9.128 10.689 1.00 1.00 O ATOM 493 CB THR A 30 0.492 -9.071 12.255 1.00 1.00 C ATOM 494 OG1 THR A 30 -0.850 -8.610 12.281 1.00 1.00 O ATOM 495 CG2 THR A 30 0.822 -9.709 13.625 1.00 1.00 C ATOM 0 H THR A 30 0.794 -7.622 9.962 1.00 1.00 H new ATOM 0 HA THR A 30 1.464 -7.227 12.853 1.00 1.00 H new ATOM 0 HB THR A 30 0.633 -9.818 11.474 1.00 1.00 H new ATOM 0 HG1 THR A 30 -1.451 -9.363 12.459 1.00 1.00 H new ATOM 0 HG21 THR A 30 0.154 -10.552 13.804 1.00 1.00 H new ATOM 0 HG22 THR A 30 1.855 -10.058 13.625 1.00 1.00 H new ATOM 0 HG23 THR A 30 0.690 -8.968 14.413 1.00 1.00 H new ATOM 503 N ILE A 31 3.823 -7.989 12.434 1.00 1.00 N ATOM 504 CA ILE A 31 5.221 -8.406 12.246 1.00 1.00 C ATOM 505 C ILE A 31 5.784 -8.930 13.583 1.00 1.00 C ATOM 506 O ILE A 31 5.307 -8.596 14.667 1.00 1.00 O ATOM 507 CB ILE A 31 6.048 -7.199 11.717 1.00 1.00 C ATOM 508 CG1 ILE A 31 5.540 -6.771 10.297 1.00 1.00 C ATOM 509 CG2 ILE A 31 7.562 -7.524 11.645 1.00 1.00 C ATOM 510 CD1 ILE A 31 5.684 -7.877 9.205 1.00 1.00 C ATOM 0 H ILE A 31 3.689 -7.376 13.238 1.00 1.00 H new ATOM 0 HA ILE A 31 5.281 -9.211 11.514 1.00 1.00 H new ATOM 0 HB ILE A 31 5.909 -6.379 12.422 1.00 1.00 H new ATOM 0 HG12 ILE A 31 4.491 -6.483 10.370 1.00 1.00 H new ATOM 0 HG13 ILE A 31 6.092 -5.887 9.977 1.00 1.00 H new ATOM 0 HG21 ILE A 31 8.103 -6.655 11.271 1.00 1.00 H new ATOM 0 HG22 ILE A 31 7.927 -7.778 12.640 1.00 1.00 H new ATOM 0 HG23 ILE A 31 7.722 -8.368 10.973 1.00 1.00 H new ATOM 0 HD11 ILE A 31 5.310 -7.500 8.253 1.00 1.00 H new ATOM 0 HD12 ILE A 31 6.734 -8.150 9.100 1.00 1.00 H new ATOM 0 HD13 ILE A 31 5.109 -8.755 9.498 1.00 1.00 H new ATOM 522 N ARG A 32 6.820 -9.758 13.492 1.00 1.00 N ATOM 523 CA ARG A 32 7.482 -10.354 14.682 1.00 1.00 C ATOM 524 C ARG A 32 9.002 -10.177 14.579 1.00 1.00 C ATOM 525 O ARG A 32 9.614 -10.523 13.569 1.00 1.00 O ATOM 526 CB ARG A 32 7.108 -11.859 14.796 1.00 1.00 C ATOM 527 CG ARG A 32 7.504 -12.643 13.518 1.00 1.00 C ATOM 528 CD ARG A 32 7.095 -14.123 13.650 1.00 1.00 C ATOM 529 NE ARG A 32 7.833 -14.749 14.753 1.00 1.00 N ATOM 530 CZ ARG A 32 9.150 -15.005 14.682 1.00 1.00 C ATOM 531 NH1 ARG A 32 9.820 -14.773 13.581 1.00 1.00 N ATOM 532 NH2 ARG A 32 9.767 -15.502 15.719 1.00 1.00 N ATOM 0 H ARG A 32 7.234 -10.043 12.604 1.00 1.00 H new ATOM 0 HA ARG A 32 7.137 -9.843 15.581 1.00 1.00 H new ATOM 0 HB2 ARG A 32 7.609 -12.295 15.661 1.00 1.00 H new ATOM 0 HB3 ARG A 32 6.036 -11.956 14.966 1.00 1.00 H new ATOM 0 HG2 ARG A 32 7.020 -12.201 12.647 1.00 1.00 H new ATOM 0 HG3 ARG A 32 8.579 -12.569 13.356 1.00 1.00 H new ATOM 0 HD2 ARG A 32 6.023 -14.198 13.830 1.00 1.00 H new ATOM 0 HD3 ARG A 32 7.300 -14.650 12.718 1.00 1.00 H new ATOM 0 HE ARG A 32 7.328 -14.999 15.604 1.00 1.00 H new ATOM 0 HH11 ARG A 32 9.342 -14.393 12.764 1.00 1.00 H new ATOM 0 HH12 ARG A 32 10.820 -14.972 13.541 1.00 1.00 H new ATOM 0 HH21 ARG A 32 9.249 -15.694 16.577 1.00 1.00 H new ATOM 0 HH22 ARG A 32 10.767 -15.699 15.672 1.00 1.00 H new ATOM 546 N ALA A 33 9.613 -9.634 15.626 1.00 1.00 N ATOM 547 CA ALA A 33 11.064 -9.402 15.643 1.00 1.00 C ATOM 548 C ALA A 33 11.549 -9.086 17.075 1.00 1.00 C ATOM 549 O ALA A 33 10.761 -9.013 18.018 1.00 1.00 O ATOM 550 CB ALA A 33 11.442 -8.266 14.621 1.00 1.00 C ATOM 0 H ALA A 33 9.131 -9.344 16.477 1.00 1.00 H new ATOM 0 HA ALA A 33 11.577 -10.311 15.328 1.00 1.00 H new ATOM 0 HB1 ALA A 33 12.519 -8.102 14.641 1.00 1.00 H new ATOM 0 HB2 ALA A 33 11.139 -8.564 13.617 1.00 1.00 H new ATOM 0 HB3 ALA A 33 10.929 -7.344 14.896 1.00 1.00 H new ATOM 556 N TYR A 34 12.855 -8.882 17.214 1.00 1.00 N ATOM 557 CA TYR A 34 13.462 -8.585 18.518 1.00 1.00 C ATOM 558 C TYR A 34 13.032 -7.178 19.016 1.00 1.00 C ATOM 559 O TYR A 34 12.809 -6.298 18.185 1.00 1.00 O ATOM 560 CB TYR A 34 15.006 -8.657 18.377 1.00 1.00 C ATOM 561 CG TYR A 34 15.447 -10.102 18.088 1.00 1.00 C ATOM 562 CD1 TYR A 34 15.528 -10.571 16.758 1.00 1.00 C ATOM 563 CD2 TYR A 34 15.774 -10.972 19.147 1.00 1.00 C ATOM 564 CE1 TYR A 34 15.930 -11.888 16.500 1.00 1.00 C ATOM 565 CE2 TYR A 34 16.174 -12.287 18.879 1.00 1.00 C ATOM 566 CZ TYR A 34 16.253 -12.744 17.559 1.00 1.00 C ATOM 567 OH TYR A 34 16.652 -14.039 17.301 1.00 1.00 O ATOM 0 H TYR A 34 13.519 -8.916 16.441 1.00 1.00 H new ATOM 0 HA TYR A 34 13.123 -9.317 19.251 1.00 1.00 H new ATOM 0 HB2 TYR A 34 15.336 -8.001 17.572 1.00 1.00 H new ATOM 0 HB3 TYR A 34 15.479 -8.301 19.292 1.00 1.00 H new ATOM 0 HD1 TYR A 34 15.280 -9.913 15.938 1.00 1.00 H new ATOM 0 HD2 TYR A 34 15.716 -10.624 20.168 1.00 1.00 H new ATOM 0 HE1 TYR A 34 15.991 -12.243 15.482 1.00 1.00 H new ATOM 0 HE2 TYR A 34 16.422 -12.951 19.694 1.00 1.00 H new ATOM 0 HH TYR A 34 16.840 -14.498 18.146 1.00 1.00 H new ATOM 577 N PRO A 35 12.921 -6.952 20.296 1.00 1.00 N ATOM 578 CA PRO A 35 12.515 -5.596 20.825 1.00 1.00 C ATOM 579 C PRO A 35 13.628 -4.541 20.640 1.00 1.00 C ATOM 580 O PRO A 35 13.358 -3.343 20.540 1.00 1.00 O ATOM 581 CB PRO A 35 12.220 -5.873 22.328 1.00 1.00 C ATOM 582 CG PRO A 35 13.168 -6.987 22.664 1.00 1.00 C ATOM 583 CD PRO A 35 13.144 -7.902 21.427 1.00 1.00 C ATOM 0 HA PRO A 35 11.660 -5.177 20.295 1.00 1.00 H new ATOM 0 HB2 PRO A 35 12.401 -4.991 22.943 1.00 1.00 H new ATOM 0 HB3 PRO A 35 11.182 -6.166 22.487 1.00 1.00 H new ATOM 0 HG2 PRO A 35 14.172 -6.609 22.858 1.00 1.00 H new ATOM 0 HG3 PRO A 35 12.850 -7.522 23.559 1.00 1.00 H new ATOM 0 HD2 PRO A 35 14.080 -8.449 21.314 1.00 1.00 H new ATOM 0 HD3 PRO A 35 12.348 -8.644 21.491 1.00 1.00 H new ATOM 591 N GLU A 36 14.876 -4.999 20.630 1.00 1.00 N ATOM 592 CA GLU A 36 16.036 -4.095 20.481 1.00 1.00 C ATOM 593 C GLU A 36 16.005 -3.357 19.118 1.00 1.00 C ATOM 594 O GLU A 36 16.282 -2.160 19.027 1.00 1.00 O ATOM 595 CB GLU A 36 17.349 -4.928 20.662 1.00 1.00 C ATOM 596 CG GLU A 36 17.713 -5.748 19.383 1.00 1.00 C ATOM 597 CD GLU A 36 18.798 -6.794 19.686 1.00 1.00 C ATOM 598 OE1 GLU A 36 19.663 -6.507 20.494 1.00 1.00 O ATOM 599 OE2 GLU A 36 18.741 -7.865 19.099 1.00 1.00 O ATOM 0 H GLU A 36 15.120 -5.985 20.722 1.00 1.00 H new ATOM 0 HA GLU A 36 15.997 -3.322 21.248 1.00 1.00 H new ATOM 0 HB2 GLU A 36 18.172 -4.256 20.906 1.00 1.00 H new ATOM 0 HB3 GLU A 36 17.232 -5.608 21.506 1.00 1.00 H new ATOM 0 HG2 GLU A 36 16.822 -6.245 19.000 1.00 1.00 H new ATOM 0 HG3 GLU A 36 18.062 -5.073 18.602 1.00 1.00 H new ATOM 606 N ILE A 37 15.665 -4.084 18.059 1.00 1.00 N ATOM 607 CA ILE A 37 15.603 -3.460 16.703 1.00 1.00 C ATOM 608 C ILE A 37 14.256 -2.751 16.510 1.00 1.00 C ATOM 609 O ILE A 37 14.165 -1.758 15.788 1.00 1.00 O ATOM 610 CB ILE A 37 15.863 -4.501 15.561 1.00 1.00 C ATOM 611 CG1 ILE A 37 14.723 -5.578 15.516 1.00 1.00 C ATOM 612 CG2 ILE A 37 17.260 -5.176 15.763 1.00 1.00 C ATOM 613 CD1 ILE A 37 15.064 -6.736 14.544 1.00 1.00 C ATOM 0 H ILE A 37 15.431 -5.076 18.088 1.00 1.00 H new ATOM 0 HA ILE A 37 16.402 -2.721 16.640 1.00 1.00 H new ATOM 0 HB ILE A 37 15.863 -3.978 14.605 1.00 1.00 H new ATOM 0 HG12 ILE A 37 14.562 -5.979 16.517 1.00 1.00 H new ATOM 0 HG13 ILE A 37 13.790 -5.107 15.207 1.00 1.00 H new ATOM 0 HG21 ILE A 37 17.434 -5.898 14.965 1.00 1.00 H new ATOM 0 HG22 ILE A 37 18.039 -4.414 15.739 1.00 1.00 H new ATOM 0 HG23 ILE A 37 17.282 -5.686 16.726 1.00 1.00 H new ATOM 0 HD11 ILE A 37 14.250 -7.461 14.542 1.00 1.00 H new ATOM 0 HD12 ILE A 37 15.199 -6.339 13.538 1.00 1.00 H new ATOM 0 HD13 ILE A 37 15.983 -7.224 14.868 1.00 1.00 H new ATOM 625 N LEU A 38 13.210 -3.265 17.147 1.00 1.00 N ATOM 626 CA LEU A 38 11.859 -2.642 17.039 1.00 1.00 C ATOM 627 C LEU A 38 11.806 -1.346 17.852 1.00 1.00 C ATOM 628 O LEU A 38 11.112 -0.397 17.483 1.00 1.00 O ATOM 629 CB LEU A 38 10.748 -3.621 17.509 1.00 1.00 C ATOM 630 CG LEU A 38 10.542 -4.820 16.507 1.00 1.00 C ATOM 631 CD1 LEU A 38 9.743 -5.952 17.200 1.00 1.00 C ATOM 632 CD2 LEU A 38 9.762 -4.367 15.228 1.00 1.00 C ATOM 0 H LEU A 38 13.250 -4.096 17.738 1.00 1.00 H new ATOM 0 HA LEU A 38 11.678 -2.409 15.990 1.00 1.00 H new ATOM 0 HB2 LEU A 38 11.005 -4.013 18.493 1.00 1.00 H new ATOM 0 HB3 LEU A 38 9.810 -3.077 17.618 1.00 1.00 H new ATOM 0 HG LEU A 38 11.528 -5.177 16.210 1.00 1.00 H new ATOM 0 HD11 LEU A 38 9.603 -6.778 16.503 1.00 1.00 H new ATOM 0 HD12 LEU A 38 10.292 -6.303 18.073 1.00 1.00 H new ATOM 0 HD13 LEU A 38 8.770 -5.572 17.512 1.00 1.00 H new ATOM 0 HD21 LEU A 38 9.637 -5.217 14.558 1.00 1.00 H new ATOM 0 HD22 LEU A 38 8.783 -3.984 15.516 1.00 1.00 H new ATOM 0 HD23 LEU A 38 10.322 -3.583 14.719 1.00 1.00 H new ATOM 644 N ASN A 39 12.545 -1.303 18.957 1.00 1.00 N ATOM 645 CA ASN A 39 12.583 -0.107 19.819 1.00 1.00 C ATOM 646 C ASN A 39 13.424 0.978 19.154 1.00 1.00 C ATOM 647 O ASN A 39 13.346 2.150 19.524 1.00 1.00 O ATOM 648 CB ASN A 39 13.174 -0.465 21.212 1.00 1.00 C ATOM 649 CG ASN A 39 12.201 -1.337 22.021 1.00 1.00 C ATOM 650 OD1 ASN A 39 11.018 -1.432 21.691 1.00 1.00 O ATOM 651 ND2 ASN A 39 12.637 -1.967 23.076 1.00 1.00 N ATOM 0 H ASN A 39 13.126 -2.075 19.283 1.00 1.00 H new ATOM 0 HA ASN A 39 11.567 0.263 19.959 1.00 1.00 H new ATOM 0 HB2 ASN A 39 14.119 -0.993 21.084 1.00 1.00 H new ATOM 0 HB3 ASN A 39 13.392 0.450 21.764 1.00 1.00 H new ATOM 0 HD21 ASN A 39 11.998 -2.539 23.629 1.00 1.00 H new ATOM 0 HD22 ASN A 39 13.617 -1.888 23.349 1.00 1.00 H new ATOM 658 N ASN A 40 14.229 0.596 18.167 1.00 1.00 N ATOM 659 CA ASN A 40 15.102 1.528 17.436 1.00 1.00 C ATOM 660 C ASN A 40 14.479 1.888 16.088 1.00 1.00 C ATOM 661 O ASN A 40 14.643 3.009 15.605 1.00 1.00 O ATOM 662 CB ASN A 40 16.484 0.861 17.225 1.00 1.00 C ATOM 663 CG ASN A 40 17.481 1.834 16.577 1.00 1.00 C ATOM 664 OD1 ASN A 40 17.090 2.876 16.049 1.00 1.00 O ATOM 665 ND2 ASN A 40 18.757 1.553 16.590 1.00 1.00 N ATOM 0 H ASN A 40 14.299 -0.370 17.846 1.00 1.00 H new ATOM 0 HA ASN A 40 15.222 2.445 18.013 1.00 1.00 H new ATOM 0 HB2 ASN A 40 16.876 0.520 18.183 1.00 1.00 H new ATOM 0 HB3 ASN A 40 16.372 -0.021 16.595 1.00 1.00 H new ATOM 0 HD21 ASN A 40 19.425 2.195 16.164 1.00 1.00 H new ATOM 0 HD22 ASN A 40 19.085 0.691 17.026 1.00 1.00 H new ATOM 672 N LEU A 41 13.770 0.944 15.475 1.00 1.00 N ATOM 673 CA LEU A 41 13.136 1.166 14.169 1.00 1.00 C ATOM 674 C LEU A 41 12.132 2.318 14.281 1.00 1.00 C ATOM 675 O LEU A 41 11.439 2.486 15.283 1.00 1.00 O ATOM 676 CB LEU A 41 12.407 -0.148 13.639 1.00 1.00 C ATOM 677 CG LEU A 41 12.855 -0.560 12.201 1.00 1.00 C ATOM 678 CD1 LEU A 41 12.192 -1.905 11.811 1.00 1.00 C ATOM 679 CD2 LEU A 41 12.451 0.530 11.178 1.00 1.00 C ATOM 0 H LEU A 41 13.617 0.012 15.860 1.00 1.00 H new ATOM 0 HA LEU A 41 13.914 1.422 13.450 1.00 1.00 H new ATOM 0 HB2 LEU A 41 12.609 -0.970 14.325 1.00 1.00 H new ATOM 0 HB3 LEU A 41 11.329 0.014 13.645 1.00 1.00 H new ATOM 0 HG LEU A 41 13.939 -0.671 12.191 1.00 1.00 H new ATOM 0 HD11 LEU A 41 12.507 -2.188 10.807 1.00 1.00 H new ATOM 0 HD12 LEU A 41 12.494 -2.678 12.518 1.00 1.00 H new ATOM 0 HD13 LEU A 41 11.108 -1.796 11.833 1.00 1.00 H new ATOM 0 HD21 LEU A 41 12.770 0.229 10.180 1.00 1.00 H new ATOM 0 HD22 LEU A 41 11.368 0.657 11.190 1.00 1.00 H new ATOM 0 HD23 LEU A 41 12.930 1.473 11.443 1.00 1.00 H new ATOM 691 N THR A 42 12.057 3.131 13.232 1.00 1.00 N ATOM 692 CA THR A 42 11.116 4.266 13.203 1.00 1.00 C ATOM 693 C THR A 42 10.239 4.170 11.956 1.00 1.00 C ATOM 694 O THR A 42 10.638 3.681 10.899 1.00 1.00 O ATOM 695 CB THR A 42 11.886 5.592 13.243 1.00 1.00 C ATOM 696 OG1 THR A 42 10.973 6.657 13.035 1.00 1.00 O ATOM 697 CG2 THR A 42 12.995 5.603 12.172 1.00 1.00 C ATOM 0 H THR A 42 12.628 3.034 12.392 1.00 1.00 H new ATOM 0 HA THR A 42 10.471 4.230 14.081 1.00 1.00 H new ATOM 0 HB THR A 42 12.364 5.711 14.215 1.00 1.00 H new ATOM 0 HG1 THR A 42 11.454 7.510 13.060 1.00 1.00 H new ATOM 0 HG21 THR A 42 13.532 6.551 12.214 1.00 1.00 H new ATOM 0 HG22 THR A 42 13.690 4.784 12.359 1.00 1.00 H new ATOM 0 HG23 THR A 42 12.549 5.482 11.185 1.00 1.00 H new ATOM 705 N LYS A 43 8.998 4.623 12.102 1.00 1.00 N ATOM 706 CA LYS A 43 8.028 4.569 11.007 1.00 1.00 C ATOM 707 C LYS A 43 8.568 5.206 9.713 1.00 1.00 C ATOM 708 O LYS A 43 8.332 4.679 8.627 1.00 1.00 O ATOM 709 CB LYS A 43 6.728 5.256 11.472 1.00 1.00 C ATOM 710 CG LYS A 43 6.998 6.742 11.837 1.00 1.00 C ATOM 711 CD LYS A 43 5.736 7.364 12.466 1.00 1.00 C ATOM 712 CE LYS A 43 5.983 8.844 12.813 1.00 1.00 C ATOM 713 NZ LYS A 43 7.111 8.944 13.781 1.00 1.00 N ATOM 0 H LYS A 43 8.638 5.031 12.965 1.00 1.00 H new ATOM 0 HA LYS A 43 7.830 3.525 10.763 1.00 1.00 H new ATOM 0 HB2 LYS A 43 5.978 5.200 10.683 1.00 1.00 H new ATOM 0 HB3 LYS A 43 6.322 4.731 12.337 1.00 1.00 H new ATOM 0 HG2 LYS A 43 7.833 6.809 12.534 1.00 1.00 H new ATOM 0 HG3 LYS A 43 7.283 7.299 10.944 1.00 1.00 H new ATOM 0 HD2 LYS A 43 4.898 7.281 11.774 1.00 1.00 H new ATOM 0 HD3 LYS A 43 5.461 6.814 13.366 1.00 1.00 H new ATOM 0 HE2 LYS A 43 6.214 9.407 11.909 1.00 1.00 H new ATOM 0 HE3 LYS A 43 5.082 9.284 13.241 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 7.088 9.874 14.246 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 7.021 8.196 14.498 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 8.013 8.832 13.276 1.00 1.00 H new ATOM 727 N GLU A 44 9.290 6.317 9.816 1.00 1.00 N ATOM 728 CA GLU A 44 9.843 6.997 8.623 1.00 1.00 C ATOM 729 C GLU A 44 10.758 6.063 7.818 1.00 1.00 C ATOM 730 O GLU A 44 10.987 6.279 6.628 1.00 1.00 O ATOM 731 CB GLU A 44 10.609 8.290 9.021 1.00 1.00 C ATOM 732 CG GLU A 44 11.768 7.963 9.983 1.00 1.00 C ATOM 733 CD GLU A 44 12.504 9.235 10.402 1.00 1.00 C ATOM 734 OE1 GLU A 44 13.303 9.716 9.615 1.00 1.00 O ATOM 735 OE2 GLU A 44 12.262 9.708 11.503 1.00 1.00 O ATOM 0 H GLU A 44 9.511 6.772 10.701 1.00 1.00 H new ATOM 0 HA GLU A 44 9.001 7.275 7.990 1.00 1.00 H new ATOM 0 HB2 GLU A 44 10.998 8.778 8.127 1.00 1.00 H new ATOM 0 HB3 GLU A 44 9.924 8.993 9.495 1.00 1.00 H new ATOM 0 HG2 GLU A 44 11.381 7.455 10.866 1.00 1.00 H new ATOM 0 HG3 GLU A 44 12.464 7.277 9.500 1.00 1.00 H new ATOM 742 N GLN A 45 11.271 5.016 8.454 1.00 1.00 N ATOM 743 CA GLN A 45 12.165 4.052 7.788 1.00 1.00 C ATOM 744 C GLN A 45 11.374 3.091 6.914 1.00 1.00 C ATOM 745 O GLN A 45 11.813 2.743 5.818 1.00 1.00 O ATOM 746 CB GLN A 45 12.977 3.261 8.836 1.00 1.00 C ATOM 747 CG GLN A 45 14.020 2.331 8.165 1.00 1.00 C ATOM 748 CD GLN A 45 14.879 1.652 9.225 1.00 1.00 C ATOM 749 OE1 GLN A 45 15.123 2.221 10.289 1.00 1.00 O ATOM 750 NE2 GLN A 45 15.349 0.464 8.998 1.00 1.00 N ATOM 0 H GLN A 45 11.087 4.805 9.435 1.00 1.00 H new ATOM 0 HA GLN A 45 12.851 4.612 7.153 1.00 1.00 H new ATOM 0 HB2 GLN A 45 13.485 3.956 9.504 1.00 1.00 H new ATOM 0 HB3 GLN A 45 12.300 2.667 9.449 1.00 1.00 H new ATOM 0 HG2 GLN A 45 13.512 1.579 7.561 1.00 1.00 H new ATOM 0 HG3 GLN A 45 14.652 2.908 7.490 1.00 1.00 H new ATOM 0 HE21 GLN A 45 15.145 -0.005 8.115 1.00 1.00 H new ATOM 0 HE22 GLN A 45 15.922 -0.001 9.702 1.00 1.00 H new ATOM 759 N ILE A 46 10.205 2.661 7.380 1.00 1.00 N ATOM 760 CA ILE A 46 9.371 1.717 6.643 1.00 1.00 C ATOM 761 C ILE A 46 8.873 2.358 5.336 1.00 1.00 C ATOM 762 O ILE A 46 8.294 3.444 5.335 1.00 1.00 O ATOM 763 CB ILE A 46 8.158 1.281 7.533 1.00 1.00 C ATOM 764 CG1 ILE A 46 8.631 0.913 8.977 1.00 1.00 C ATOM 765 CG2 ILE A 46 7.437 0.066 6.899 1.00 1.00 C ATOM 766 CD1 ILE A 46 9.735 -0.161 8.990 1.00 1.00 C ATOM 0 H ILE A 46 9.811 2.955 8.274 1.00 1.00 H new ATOM 0 HA ILE A 46 9.962 0.836 6.392 1.00 1.00 H new ATOM 0 HB ILE A 46 7.466 2.121 7.594 1.00 1.00 H new ATOM 0 HG12 ILE A 46 8.999 1.811 9.473 1.00 1.00 H new ATOM 0 HG13 ILE A 46 7.778 0.557 9.554 1.00 1.00 H new ATOM 0 HG21 ILE A 46 6.596 -0.227 7.528 1.00 1.00 H new ATOM 0 HG22 ILE A 46 7.072 0.336 5.908 1.00 1.00 H new ATOM 0 HG23 ILE A 46 8.134 -0.768 6.815 1.00 1.00 H new ATOM 0 HD11 ILE A 46 10.022 -0.375 10.019 1.00 1.00 H new ATOM 0 HD12 ILE A 46 9.362 -1.071 8.521 1.00 1.00 H new ATOM 0 HD13 ILE A 46 10.603 0.202 8.439 1.00 1.00 H new ATOM 778 N SER A 47 9.099 1.678 4.215 1.00 1.00 N ATOM 779 CA SER A 47 8.681 2.154 2.882 1.00 1.00 C ATOM 780 C SER A 47 7.550 1.265 2.339 1.00 1.00 C ATOM 781 O SER A 47 7.771 0.136 1.903 1.00 1.00 O ATOM 782 CB SER A 47 9.883 2.119 1.934 1.00 1.00 C ATOM 783 OG SER A 47 9.518 2.705 0.695 1.00 1.00 O ATOM 0 H SER A 47 9.578 0.778 4.196 1.00 1.00 H new ATOM 0 HA SER A 47 8.313 3.177 2.958 1.00 1.00 H new ATOM 0 HB2 SER A 47 10.722 2.659 2.372 1.00 1.00 H new ATOM 0 HB3 SER A 47 10.211 1.091 1.781 1.00 1.00 H new ATOM 0 HG SER A 47 8.998 2.062 0.170 1.00 1.00 H new ATOM 789 N LEU A 48 6.332 1.792 2.361 1.00 1.00 N ATOM 790 CA LEU A 48 5.133 1.058 1.883 1.00 1.00 C ATOM 791 C LEU A 48 4.508 1.778 0.698 1.00 1.00 C ATOM 792 O LEU A 48 4.315 2.992 0.719 1.00 1.00 O ATOM 793 CB LEU A 48 4.095 0.991 3.049 1.00 1.00 C ATOM 794 CG LEU A 48 4.580 0.004 4.181 1.00 1.00 C ATOM 795 CD1 LEU A 48 4.041 0.437 5.570 1.00 1.00 C ATOM 796 CD2 LEU A 48 4.123 -1.446 3.887 1.00 1.00 C ATOM 0 H LEU A 48 6.132 2.731 2.705 1.00 1.00 H new ATOM 0 HA LEU A 48 5.423 0.055 1.570 1.00 1.00 H new ATOM 0 HB2 LEU A 48 3.948 1.987 3.468 1.00 1.00 H new ATOM 0 HB3 LEU A 48 3.130 0.662 2.663 1.00 1.00 H new ATOM 0 HG LEU A 48 5.669 0.041 4.195 1.00 1.00 H new ATOM 0 HD11 LEU A 48 4.391 -0.261 6.330 1.00 1.00 H new ATOM 0 HD12 LEU A 48 4.401 1.439 5.804 1.00 1.00 H new ATOM 0 HD13 LEU A 48 2.951 0.438 5.553 1.00 1.00 H new ATOM 0 HD21 LEU A 48 4.470 -2.105 4.682 1.00 1.00 H new ATOM 0 HD22 LEU A 48 3.035 -1.481 3.836 1.00 1.00 H new ATOM 0 HD23 LEU A 48 4.542 -1.774 2.935 1.00 1.00 H new ATOM 808 N TRP A 49 4.156 1.015 -0.333 1.00 1.00 N ATOM 809 CA TRP A 49 3.521 1.552 -1.523 1.00 1.00 C ATOM 810 C TRP A 49 2.843 0.424 -2.292 1.00 1.00 C ATOM 811 O TRP A 49 2.846 -0.735 -1.877 1.00 1.00 O ATOM 812 CB TRP A 49 4.560 2.299 -2.402 1.00 1.00 C ATOM 813 CG TRP A 49 5.479 1.321 -3.100 1.00 1.00 C ATOM 814 CD1 TRP A 49 5.222 0.723 -4.289 1.00 1.00 C ATOM 815 CD2 TRP A 49 6.769 0.804 -2.661 1.00 1.00 C ATOM 816 NE1 TRP A 49 6.278 -0.100 -4.617 1.00 1.00 N ATOM 817 CE2 TRP A 49 7.255 -0.090 -3.646 1.00 1.00 C ATOM 818 CE3 TRP A 49 7.562 1.028 -1.522 1.00 1.00 C ATOM 819 CZ2 TRP A 49 8.479 -0.740 -3.506 1.00 1.00 C ATOM 820 CZ3 TRP A 49 8.797 0.372 -1.377 1.00 1.00 C ATOM 821 CH2 TRP A 49 9.253 -0.511 -2.367 1.00 1.00 C ATOM 0 H TRP A 49 4.305 0.006 -0.363 1.00 1.00 H new ATOM 0 HA TRP A 49 2.759 2.276 -1.234 1.00 1.00 H new ATOM 0 HB2 TRP A 49 4.044 2.911 -3.142 1.00 1.00 H new ATOM 0 HB3 TRP A 49 5.147 2.977 -1.782 1.00 1.00 H new ATOM 0 HD1 TRP A 49 4.332 0.868 -4.884 1.00 1.00 H new ATOM 0 HE1 TRP A 49 6.330 -0.650 -5.475 1.00 1.00 H new ATOM 0 HE3 TRP A 49 7.221 1.707 -0.755 1.00 1.00 H new ATOM 0 HZ2 TRP A 49 8.827 -1.416 -4.273 1.00 1.00 H new ATOM 0 HZ3 TRP A 49 9.399 0.549 -0.498 1.00 1.00 H new ATOM 0 HH2 TRP A 49 10.202 -1.013 -2.248 1.00 1.00 H new ATOM 832 N ILE A 50 2.254 0.767 -3.433 1.00 1.00 N ATOM 833 CA ILE A 50 1.555 -0.224 -4.278 1.00 1.00 C ATOM 834 C ILE A 50 1.817 0.097 -5.759 1.00 1.00 C ATOM 835 O ILE A 50 2.002 1.247 -6.159 1.00 1.00 O ATOM 836 CB ILE A 50 0.019 -0.202 -3.993 1.00 1.00 C ATOM 837 CG1 ILE A 50 -0.255 -0.330 -2.457 1.00 1.00 C ATOM 838 CG2 ILE A 50 -0.690 -1.354 -4.755 1.00 1.00 C ATOM 839 CD1 ILE A 50 -1.751 -0.202 -2.136 1.00 1.00 C ATOM 0 H ILE A 50 2.241 1.718 -3.802 1.00 1.00 H new ATOM 0 HA ILE A 50 1.934 -1.219 -4.045 1.00 1.00 H new ATOM 0 HB ILE A 50 -0.380 0.750 -4.343 1.00 1.00 H new ATOM 0 HG12 ILE A 50 0.113 -1.292 -2.100 1.00 1.00 H new ATOM 0 HG13 ILE A 50 0.299 0.441 -1.923 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -1.759 -1.325 -4.546 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -0.526 -1.236 -5.826 1.00 1.00 H new ATOM 0 HG23 ILE A 50 -0.283 -2.311 -4.429 1.00 1.00 H new ATOM 0 HD11 ILE A 50 -1.902 -0.296 -1.061 1.00 1.00 H new ATOM 0 HD12 ILE A 50 -2.113 0.771 -2.469 1.00 1.00 H new ATOM 0 HD13 ILE A 50 -2.302 -0.990 -2.650 1.00 1.00 H new ATOM 851 N ASP A 51 1.812 -0.951 -6.575 1.00 1.00 N ATOM 852 CA ASP A 51 2.038 -0.827 -8.028 1.00 1.00 C ATOM 853 C ASP A 51 0.703 -0.868 -8.790 1.00 1.00 C ATOM 854 O ASP A 51 0.111 -1.935 -8.957 1.00 1.00 O ATOM 855 CB ASP A 51 2.931 -2.009 -8.464 1.00 1.00 C ATOM 856 CG ASP A 51 4.287 -1.958 -7.750 1.00 1.00 C ATOM 857 OD1 ASP A 51 4.697 -0.877 -7.350 1.00 1.00 O ATOM 858 OD2 ASP A 51 4.902 -3.005 -7.620 1.00 1.00 O ATOM 0 H ASP A 51 1.653 -1.908 -6.260 1.00 1.00 H new ATOM 0 HA ASP A 51 2.519 0.125 -8.253 1.00 1.00 H new ATOM 0 HB2 ASP A 51 2.431 -2.951 -8.238 1.00 1.00 H new ATOM 0 HB3 ASP A 51 3.082 -1.978 -9.543 1.00 1.00 H new ATOM 863 N ALA A 52 0.243 0.285 -9.262 1.00 1.00 N ATOM 864 CA ALA A 52 -1.027 0.372 -10.017 1.00 1.00 C ATOM 865 C ALA A 52 -0.832 -0.125 -11.447 1.00 1.00 C ATOM 866 O ALA A 52 -1.800 -0.394 -12.158 1.00 1.00 O ATOM 867 CB ALA A 52 -1.554 1.839 -10.018 1.00 1.00 C ATOM 0 H ALA A 52 0.721 1.178 -9.142 1.00 1.00 H new ATOM 0 HA ALA A 52 -1.766 -0.263 -9.529 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -2.489 1.889 -10.577 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -1.726 2.164 -8.992 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -0.816 2.490 -10.486 1.00 1.00 H new ATOM 873 N THR A 53 0.420 -0.262 -11.873 1.00 1.00 N ATOM 874 CA THR A 53 0.705 -0.750 -13.227 1.00 1.00 C ATOM 875 C THR A 53 0.129 -2.153 -13.390 1.00 1.00 C ATOM 876 O THR A 53 -0.197 -2.832 -12.417 1.00 1.00 O ATOM 877 CB THR A 53 2.233 -0.764 -13.528 1.00 1.00 C ATOM 878 OG1 THR A 53 2.505 -1.637 -14.619 1.00 1.00 O ATOM 879 CG2 THR A 53 3.030 -1.241 -12.299 1.00 1.00 C ATOM 0 H THR A 53 1.245 -0.047 -11.313 1.00 1.00 H new ATOM 0 HA THR A 53 0.238 -0.069 -13.938 1.00 1.00 H new ATOM 0 HB THR A 53 2.536 0.253 -13.778 1.00 1.00 H new ATOM 0 HG1 THR A 53 3.467 -1.640 -14.804 1.00 1.00 H new ATOM 0 HG21 THR A 53 4.094 -1.242 -12.534 1.00 1.00 H new ATOM 0 HG22 THR A 53 2.844 -0.569 -11.461 1.00 1.00 H new ATOM 0 HG23 THR A 53 2.716 -2.250 -12.031 1.00 1.00 H new ATOM 887 N GLY A 54 0.014 -2.595 -14.637 1.00 1.00 N ATOM 888 CA GLY A 54 -0.537 -3.912 -14.952 1.00 1.00 C ATOM 889 C GLY A 54 -2.043 -3.956 -14.670 1.00 1.00 C ATOM 890 O GLY A 54 -2.819 -4.433 -15.499 1.00 1.00 O ATOM 0 H GLY A 54 0.298 -2.056 -15.455 1.00 1.00 H new ATOM 0 HA2 GLY A 54 -0.352 -4.147 -16.000 1.00 1.00 H new ATOM 0 HA3 GLY A 54 -0.030 -4.674 -14.360 1.00 1.00 H new ATOM 894 N LYS A 55 -2.453 -3.457 -13.508 1.00 1.00 N ATOM 895 CA LYS A 55 -3.876 -3.452 -13.117 1.00 1.00 C ATOM 896 C LYS A 55 -4.688 -2.600 -14.104 1.00 1.00 C ATOM 897 O LYS A 55 -4.136 -1.924 -14.971 1.00 1.00 O ATOM 898 CB LYS A 55 -4.048 -2.913 -11.658 1.00 1.00 C ATOM 899 CG LYS A 55 -3.620 -3.960 -10.576 1.00 1.00 C ATOM 900 CD LYS A 55 -2.084 -4.166 -10.552 1.00 1.00 C ATOM 901 CE LYS A 55 -1.697 -5.148 -9.429 1.00 1.00 C ATOM 902 NZ LYS A 55 -0.227 -5.379 -9.452 1.00 1.00 N ATOM 0 H LYS A 55 -1.827 -3.049 -12.814 1.00 1.00 H new ATOM 0 HA LYS A 55 -4.248 -4.476 -13.145 1.00 1.00 H new ATOM 0 HB2 LYS A 55 -3.454 -2.007 -11.537 1.00 1.00 H new ATOM 0 HB3 LYS A 55 -5.090 -2.635 -11.498 1.00 1.00 H new ATOM 0 HG2 LYS A 55 -3.958 -3.627 -9.594 1.00 1.00 H new ATOM 0 HG3 LYS A 55 -4.112 -4.912 -10.777 1.00 1.00 H new ATOM 0 HD2 LYS A 55 -1.746 -4.551 -11.514 1.00 1.00 H new ATOM 0 HD3 LYS A 55 -1.584 -3.210 -10.398 1.00 1.00 H new ATOM 0 HE2 LYS A 55 -1.997 -4.746 -8.461 1.00 1.00 H new ATOM 0 HE3 LYS A 55 -2.226 -6.092 -9.560 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 0.032 -6.042 -8.694 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 0.047 -5.781 -10.371 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 0.269 -4.476 -9.307 1.00 1.00 H new ATOM 916 N ALA A 56 -6.009 -2.661 -13.971 1.00 1.00 N ATOM 917 CA ALA A 56 -6.944 -1.928 -14.837 1.00 1.00 C ATOM 918 C ALA A 56 -8.059 -1.325 -13.990 1.00 1.00 C ATOM 919 O ALA A 56 -8.089 -1.447 -12.766 1.00 1.00 O ATOM 920 CB ALA A 56 -7.533 -2.886 -15.890 1.00 1.00 C ATOM 0 H ALA A 56 -6.471 -3.223 -13.256 1.00 1.00 H new ATOM 0 HA ALA A 56 -6.414 -1.124 -15.348 1.00 1.00 H new ATOM 0 HB1 ALA A 56 -8.226 -2.341 -16.531 1.00 1.00 H new ATOM 0 HB2 ALA A 56 -6.727 -3.300 -16.496 1.00 1.00 H new ATOM 0 HB3 ALA A 56 -8.063 -3.696 -15.389 1.00 1.00 H new ATOM 926 N VAL A 57 -8.969 -0.626 -14.659 1.00 1.00 N ATOM 927 CA VAL A 57 -10.092 0.022 -14.003 1.00 1.00 C ATOM 928 C VAL A 57 -10.988 -1.016 -13.316 1.00 1.00 C ATOM 929 O VAL A 57 -11.243 -2.103 -13.830 1.00 1.00 O ATOM 930 CB VAL A 57 -10.902 0.842 -15.051 1.00 1.00 C ATOM 931 CG1 VAL A 57 -12.063 1.621 -14.374 1.00 1.00 C ATOM 932 CG2 VAL A 57 -9.960 1.836 -15.776 1.00 1.00 C ATOM 0 H VAL A 57 -8.947 -0.494 -15.670 1.00 1.00 H new ATOM 0 HA VAL A 57 -9.716 0.699 -13.236 1.00 1.00 H new ATOM 0 HB VAL A 57 -11.331 0.147 -15.773 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -12.612 2.185 -15.129 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -12.737 0.917 -13.885 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -11.656 2.308 -13.632 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -10.529 2.408 -16.509 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -9.519 2.516 -15.048 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -9.169 1.284 -16.283 1.00 1.00 H new ATOM 942 N GLY A 58 -11.468 -0.665 -12.128 1.00 1.00 N ATOM 943 CA GLY A 58 -12.347 -1.524 -11.317 1.00 1.00 C ATOM 944 C GLY A 58 -11.721 -1.786 -9.964 1.00 1.00 C ATOM 945 O GLY A 58 -10.639 -1.285 -9.653 1.00 1.00 O ATOM 0 H GLY A 58 -11.260 0.232 -11.689 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -13.318 -1.045 -11.190 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -12.522 -2.468 -11.833 1.00 1.00 H new ATOM 949 N GLU A 59 -12.411 -2.578 -9.150 1.00 1.00 N ATOM 950 CA GLU A 59 -11.940 -2.920 -7.793 1.00 1.00 C ATOM 951 C GLU A 59 -11.347 -4.343 -7.730 1.00 1.00 C ATOM 952 O GLU A 59 -11.976 -5.328 -8.121 1.00 1.00 O ATOM 953 CB GLU A 59 -13.111 -2.754 -6.780 1.00 1.00 C ATOM 954 CG GLU A 59 -14.354 -3.558 -7.230 1.00 1.00 C ATOM 955 CD GLU A 59 -15.503 -3.356 -6.238 1.00 1.00 C ATOM 956 OE1 GLU A 59 -16.151 -2.326 -6.317 1.00 1.00 O ATOM 957 OE2 GLU A 59 -15.713 -4.232 -5.413 1.00 1.00 O ATOM 0 H GLU A 59 -13.305 -3.002 -9.399 1.00 1.00 H new ATOM 0 HA GLU A 59 -11.135 -2.235 -7.526 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -12.793 -3.091 -5.793 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -13.370 -1.699 -6.688 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -14.663 -3.237 -8.225 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -14.106 -4.617 -7.299 1.00 1.00 H new ATOM 964 N HIS A 60 -10.126 -4.419 -7.214 1.00 1.00 N ATOM 965 CA HIS A 60 -9.410 -5.688 -7.073 1.00 1.00 C ATOM 966 C HIS A 60 -8.529 -5.674 -5.824 1.00 1.00 C ATOM 967 O HIS A 60 -8.117 -4.626 -5.327 1.00 1.00 O ATOM 968 CB HIS A 60 -8.553 -5.933 -8.333 1.00 1.00 C ATOM 969 CG HIS A 60 -9.440 -5.916 -9.552 1.00 1.00 C ATOM 970 ND1 HIS A 60 -10.333 -6.936 -9.831 1.00 1.00 N ATOM 971 CD2 HIS A 60 -9.592 -4.996 -10.565 1.00 1.00 C ATOM 972 CE1 HIS A 60 -10.979 -6.614 -10.966 1.00 1.00 C ATOM 973 NE2 HIS A 60 -10.566 -5.442 -11.455 1.00 1.00 N ATOM 0 H HIS A 60 -9.603 -3.608 -6.882 1.00 1.00 H new ATOM 0 HA HIS A 60 -10.134 -6.496 -6.965 1.00 1.00 H new ATOM 0 HB2 HIS A 60 -7.784 -5.165 -8.418 1.00 1.00 H new ATOM 0 HB3 HIS A 60 -8.039 -6.891 -8.256 1.00 1.00 H new ATOM 0 HD2 HIS A 60 -9.041 -4.071 -10.655 1.00 1.00 H new ATOM 0 HE1 HIS A 60 -11.739 -7.228 -11.426 1.00 1.00 H new ATOM 0 HE2 HIS A 60 -10.894 -4.974 -12.300 1.00 1.00 H new ATOM 982 N THR A 61 -8.218 -6.865 -5.325 1.00 1.00 N ATOM 983 CA THR A 61 -7.365 -7.039 -4.144 1.00 1.00 C ATOM 984 C THR A 61 -5.899 -7.062 -4.592 1.00 1.00 C ATOM 985 O THR A 61 -5.568 -7.651 -5.620 1.00 1.00 O ATOM 986 CB THR A 61 -7.733 -8.362 -3.434 1.00 1.00 C ATOM 987 OG1 THR A 61 -9.123 -8.349 -3.144 1.00 1.00 O ATOM 988 CG2 THR A 61 -6.953 -8.512 -2.112 1.00 1.00 C ATOM 0 H THR A 61 -8.549 -7.743 -5.726 1.00 1.00 H new ATOM 0 HA THR A 61 -7.515 -6.216 -3.446 1.00 1.00 H new ATOM 0 HB THR A 61 -7.478 -9.196 -4.088 1.00 1.00 H new ATOM 0 HG1 THR A 61 -9.371 -9.184 -2.695 1.00 1.00 H new ATOM 0 HG21 THR A 61 -7.229 -9.450 -1.631 1.00 1.00 H new ATOM 0 HG22 THR A 61 -5.883 -8.511 -2.319 1.00 1.00 H new ATOM 0 HG23 THR A 61 -7.195 -7.680 -1.450 1.00 1.00 H new ATOM 996 N VAL A 62 -5.019 -6.421 -3.828 1.00 1.00 N ATOM 997 CA VAL A 62 -3.573 -6.369 -4.185 1.00 1.00 C ATOM 998 C VAL A 62 -2.694 -6.506 -2.938 1.00 1.00 C ATOM 999 O VAL A 62 -3.059 -6.116 -1.829 1.00 1.00 O ATOM 1000 CB VAL A 62 -3.251 -5.033 -4.924 1.00 1.00 C ATOM 1001 CG1 VAL A 62 -4.049 -4.944 -6.251 1.00 1.00 C ATOM 1002 CG2 VAL A 62 -3.597 -3.820 -4.019 1.00 1.00 C ATOM 0 H VAL A 62 -5.260 -5.931 -2.966 1.00 1.00 H new ATOM 0 HA VAL A 62 -3.356 -7.206 -4.848 1.00 1.00 H new ATOM 0 HB VAL A 62 -2.185 -5.013 -5.151 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -3.814 -4.007 -6.755 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -3.778 -5.780 -6.895 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -5.117 -4.983 -6.037 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -3.367 -2.895 -4.547 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -4.658 -3.842 -3.771 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -3.009 -3.870 -3.103 1.00 1.00 H new ATOM 1012 N LYS A 63 -1.510 -7.075 -3.140 1.00 1.00 N ATOM 1013 CA LYS A 63 -0.539 -7.288 -2.059 1.00 1.00 C ATOM 1014 C LYS A 63 0.510 -6.166 -2.050 1.00 1.00 C ATOM 1015 O LYS A 63 0.912 -5.615 -3.073 1.00 1.00 O ATOM 1016 CB LYS A 63 0.148 -8.656 -2.276 1.00 1.00 C ATOM 1017 CG LYS A 63 -0.901 -9.802 -2.147 1.00 1.00 C ATOM 1018 CD LYS A 63 -0.254 -11.227 -2.390 1.00 1.00 C ATOM 1019 CE LYS A 63 -0.386 -11.664 -3.876 1.00 1.00 C ATOM 1020 NZ LYS A 63 0.157 -10.606 -4.774 1.00 1.00 N ATOM 0 H LYS A 63 -1.192 -7.402 -4.052 1.00 1.00 H new ATOM 0 HA LYS A 63 -1.053 -7.278 -1.098 1.00 1.00 H new ATOM 0 HB2 LYS A 63 0.614 -8.687 -3.261 1.00 1.00 H new ATOM 0 HB3 LYS A 63 0.943 -8.794 -1.543 1.00 1.00 H new ATOM 0 HG2 LYS A 63 -1.351 -9.772 -1.154 1.00 1.00 H new ATOM 0 HG3 LYS A 63 -1.704 -9.641 -2.866 1.00 1.00 H new ATOM 0 HD2 LYS A 63 0.799 -11.203 -2.108 1.00 1.00 H new ATOM 0 HD3 LYS A 63 -0.739 -11.963 -1.748 1.00 1.00 H new ATOM 0 HE2 LYS A 63 0.151 -12.599 -4.037 1.00 1.00 H new ATOM 0 HE3 LYS A 63 -1.432 -11.853 -4.116 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 0.236 -10.979 -5.742 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 -0.482 -9.786 -4.770 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 1.097 -10.314 -4.438 1.00 1.00 H new ATOM 1034 N ILE A 64 0.970 -5.830 -0.848 1.00 1.00 N ATOM 1035 CA ILE A 64 1.992 -4.776 -0.657 1.00 1.00 C ATOM 1036 C ILE A 64 3.381 -5.431 -0.677 1.00 1.00 C ATOM 1037 O ILE A 64 3.556 -6.531 -0.153 1.00 1.00 O ATOM 1038 CB ILE A 64 1.755 -4.024 0.712 1.00 1.00 C ATOM 1039 CG1 ILE A 64 0.222 -3.735 0.931 1.00 1.00 C ATOM 1040 CG2 ILE A 64 2.528 -2.681 0.719 1.00 1.00 C ATOM 1041 CD1 ILE A 64 -0.602 -4.989 1.328 1.00 1.00 C ATOM 0 H ILE A 64 0.657 -6.268 0.018 1.00 1.00 H new ATOM 0 HA ILE A 64 1.921 -4.042 -1.460 1.00 1.00 H new ATOM 0 HB ILE A 64 2.116 -4.664 1.517 1.00 1.00 H new ATOM 0 HG12 ILE A 64 0.112 -2.979 1.708 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -0.193 -3.314 0.015 1.00 1.00 H new ATOM 0 HG21 ILE A 64 2.359 -2.169 1.666 1.00 1.00 H new ATOM 0 HG22 ILE A 64 3.594 -2.874 0.596 1.00 1.00 H new ATOM 0 HG23 ILE A 64 2.176 -2.054 -0.100 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -1.647 -4.710 1.461 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -0.524 -5.740 0.542 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -0.214 -5.399 2.261 1.00 1.00 H new ATOM 1053 N TYR A 65 4.377 -4.779 -1.266 1.00 1.00 N ATOM 1054 CA TYR A 65 5.750 -5.316 -1.340 1.00 1.00 C ATOM 1055 C TYR A 65 6.525 -4.985 -0.060 1.00 1.00 C ATOM 1056 O TYR A 65 7.254 -5.821 0.472 1.00 1.00 O ATOM 1057 CB TYR A 65 6.485 -4.710 -2.559 1.00 1.00 C ATOM 1058 CG TYR A 65 5.796 -5.149 -3.861 1.00 1.00 C ATOM 1059 CD1 TYR A 65 6.186 -6.344 -4.502 1.00 1.00 C ATOM 1060 CD2 TYR A 65 4.765 -4.371 -4.427 1.00 1.00 C ATOM 1061 CE1 TYR A 65 5.558 -6.746 -5.686 1.00 1.00 C ATOM 1062 CE2 TYR A 65 4.141 -4.781 -5.611 1.00 1.00 C ATOM 1063 CZ TYR A 65 4.537 -5.966 -6.242 1.00 1.00 C ATOM 1064 OH TYR A 65 3.921 -6.367 -7.410 1.00 1.00 O ATOM 0 H TYR A 65 4.267 -3.866 -1.707 1.00 1.00 H new ATOM 0 HA TYR A 65 5.694 -6.399 -1.449 1.00 1.00 H new ATOM 0 HB2 TYR A 65 6.488 -3.622 -2.488 1.00 1.00 H new ATOM 0 HB3 TYR A 65 7.526 -5.032 -2.563 1.00 1.00 H new ATOM 0 HD1 TYR A 65 6.972 -6.951 -4.077 1.00 1.00 H new ATOM 0 HD2 TYR A 65 4.456 -3.455 -3.945 1.00 1.00 H new ATOM 0 HE1 TYR A 65 5.862 -7.661 -6.173 1.00 1.00 H new ATOM 0 HE2 TYR A 65 3.351 -4.181 -6.039 1.00 1.00 H new ATOM 0 HH TYR A 65 3.234 -5.714 -7.659 1.00 1.00 H new ATOM 1074 N TRP A 66 6.377 -3.754 0.419 1.00 1.00 N ATOM 1075 CA TRP A 66 7.070 -3.269 1.637 1.00 1.00 C ATOM 1076 C TRP A 66 8.604 -3.498 1.563 1.00 1.00 C ATOM 1077 O TRP A 66 9.044 -4.523 1.039 1.00 1.00 O ATOM 1078 CB TRP A 66 6.451 -3.940 2.919 1.00 1.00 C ATOM 1079 CG TRP A 66 6.989 -5.331 3.161 1.00 1.00 C ATOM 1080 CD1 TRP A 66 8.213 -5.622 3.663 1.00 1.00 C ATOM 1081 CD2 TRP A 66 6.332 -6.613 2.932 1.00 1.00 C ATOM 1082 NE1 TRP A 66 8.361 -6.995 3.720 1.00 1.00 N ATOM 1083 CE2 TRP A 66 7.229 -7.648 3.283 1.00 1.00 C ATOM 1084 CE3 TRP A 66 5.065 -6.971 2.439 1.00 1.00 C ATOM 1085 CZ2 TRP A 66 6.880 -8.990 3.155 1.00 1.00 C ATOM 1086 CZ3 TRP A 66 4.706 -8.325 2.313 1.00 1.00 C ATOM 1087 CH2 TRP A 66 5.616 -9.334 2.666 1.00 1.00 C ATOM 0 H TRP A 66 5.776 -3.054 -0.017 1.00 1.00 H new ATOM 0 HA TRP A 66 6.918 -2.192 1.702 1.00 1.00 H new ATOM 0 HB2 TRP A 66 6.660 -3.317 3.788 1.00 1.00 H new ATOM 0 HB3 TRP A 66 5.367 -3.986 2.813 1.00 1.00 H new ATOM 0 HD1 TRP A 66 8.954 -4.898 3.969 1.00 1.00 H new ATOM 0 HE1 TRP A 66 9.205 -7.467 4.046 1.00 1.00 H new ATOM 0 HE3 TRP A 66 4.363 -6.201 2.155 1.00 1.00 H new ATOM 0 HZ2 TRP A 66 7.583 -9.762 3.432 1.00 1.00 H new ATOM 0 HZ3 TRP A 66 3.726 -8.590 1.943 1.00 1.00 H new ATOM 0 HH2 TRP A 66 5.341 -10.373 2.560 1.00 1.00 H new ATOM 1098 N GLN A 67 9.392 -2.575 2.103 1.00 1.00 N ATOM 1099 CA GLN A 67 10.874 -2.699 2.102 1.00 1.00 C ATOM 1100 C GLN A 67 11.449 -2.213 3.448 1.00 1.00 C ATOM 1101 O GLN A 67 11.189 -1.096 3.899 1.00 1.00 O ATOM 1102 CB GLN A 67 11.470 -1.879 0.904 1.00 1.00 C ATOM 1103 CG GLN A 67 12.862 -2.411 0.468 1.00 1.00 C ATOM 1104 CD GLN A 67 13.859 -2.320 1.620 1.00 1.00 C ATOM 1105 OE1 GLN A 67 14.007 -1.264 2.234 1.00 1.00 O ATOM 1106 NE2 GLN A 67 14.562 -3.371 1.955 1.00 1.00 N ATOM 0 H GLN A 67 9.045 -1.727 2.551 1.00 1.00 H new ATOM 0 HA GLN A 67 11.151 -3.746 1.977 1.00 1.00 H new ATOM 0 HB2 GLN A 67 10.784 -1.923 0.058 1.00 1.00 H new ATOM 0 HB3 GLN A 67 11.556 -0.831 1.190 1.00 1.00 H new ATOM 0 HG2 GLN A 67 12.774 -3.446 0.137 1.00 1.00 H new ATOM 0 HG3 GLN A 67 13.227 -1.835 -0.382 1.00 1.00 H new ATOM 0 HE21 GLN A 67 14.442 -4.248 1.448 1.00 1.00 H new ATOM 0 HE22 GLN A 67 15.231 -3.314 2.723 1.00 1.00 H new ATOM 1115 N LEU A 68 12.252 -3.065 4.076 1.00 1.00 N ATOM 1116 CA LEU A 68 12.861 -2.738 5.377 1.00 1.00 C ATOM 1117 C LEU A 68 14.061 -3.674 5.671 1.00 1.00 C ATOM 1118 O LEU A 68 14.119 -4.774 5.119 1.00 1.00 O ATOM 1119 CB LEU A 68 11.733 -2.825 6.466 1.00 1.00 C ATOM 1120 CG LEU A 68 10.942 -4.209 6.442 1.00 1.00 C ATOM 1121 CD1 LEU A 68 11.549 -5.217 7.455 1.00 1.00 C ATOM 1122 CD2 LEU A 68 9.440 -3.979 6.796 1.00 1.00 C ATOM 0 H LEU A 68 12.501 -3.986 3.714 1.00 1.00 H new ATOM 0 HA LEU A 68 13.271 -1.728 5.377 1.00 1.00 H new ATOM 0 HB2 LEU A 68 12.177 -2.685 7.452 1.00 1.00 H new ATOM 0 HB3 LEU A 68 11.027 -2.008 6.315 1.00 1.00 H new ATOM 0 HG LEU A 68 11.027 -4.621 5.436 1.00 1.00 H new ATOM 0 HD11 LEU A 68 10.990 -6.152 7.417 1.00 1.00 H new ATOM 0 HD12 LEU A 68 12.591 -5.407 7.199 1.00 1.00 H new ATOM 0 HD13 LEU A 68 11.492 -4.801 8.461 1.00 1.00 H new ATOM 0 HD21 LEU A 68 8.911 -4.932 6.776 1.00 1.00 H new ATOM 0 HD22 LEU A 68 9.364 -3.543 7.792 1.00 1.00 H new ATOM 0 HD23 LEU A 68 8.994 -3.302 6.068 1.00 1.00 H new ATOM 1134 N PRO A 69 15.000 -3.278 6.487 1.00 1.00 N ATOM 1135 CA PRO A 69 16.217 -4.136 6.805 1.00 1.00 C ATOM 1136 C PRO A 69 15.986 -5.661 6.714 1.00 1.00 C ATOM 1137 O PRO A 69 15.264 -6.226 7.535 1.00 1.00 O ATOM 1138 CB PRO A 69 16.534 -3.716 8.254 1.00 1.00 C ATOM 1139 CG PRO A 69 16.260 -2.228 8.268 1.00 1.00 C ATOM 1140 CD PRO A 69 15.107 -1.984 7.235 1.00 1.00 C ATOM 0 HA PRO A 69 17.016 -3.974 6.082 1.00 1.00 H new ATOM 0 HB2 PRO A 69 15.905 -4.245 8.970 1.00 1.00 H new ATOM 0 HB3 PRO A 69 17.569 -3.934 8.516 1.00 1.00 H new ATOM 0 HG2 PRO A 69 15.967 -1.896 9.264 1.00 1.00 H new ATOM 0 HG3 PRO A 69 17.153 -1.666 7.995 1.00 1.00 H new ATOM 0 HD2 PRO A 69 14.171 -1.735 7.735 1.00 1.00 H new ATOM 0 HD3 PRO A 69 15.341 -1.156 6.566 1.00 1.00 H new ATOM 1148 N ALA A 70 16.590 -6.314 5.725 1.00 1.00 N ATOM 1149 CA ALA A 70 16.429 -7.760 5.542 1.00 1.00 C ATOM 1150 C ALA A 70 16.963 -8.531 6.750 1.00 1.00 C ATOM 1151 O ALA A 70 18.045 -9.117 6.728 1.00 1.00 O ATOM 1152 CB ALA A 70 17.156 -8.205 4.267 1.00 1.00 C ATOM 0 H ALA A 70 17.196 -5.868 5.036 1.00 1.00 H new ATOM 0 HA ALA A 70 15.365 -7.979 5.447 1.00 1.00 H new ATOM 0 HB1 ALA A 70 17.034 -9.280 4.135 1.00 1.00 H new ATOM 0 HB2 ALA A 70 16.735 -7.684 3.407 1.00 1.00 H new ATOM 0 HB3 ALA A 70 18.217 -7.968 4.351 1.00 1.00 H new ATOM 1158 N GLY A 71 16.174 -8.540 7.820 1.00 1.00 N ATOM 1159 CA GLY A 71 16.524 -9.230 9.071 1.00 1.00 C ATOM 1160 C GLY A 71 15.262 -9.709 9.789 1.00 1.00 C ATOM 1161 O GLY A 71 15.312 -10.672 10.554 1.00 1.00 O ATOM 0 H GLY A 71 15.270 -8.069 7.851 1.00 1.00 H new ATOM 0 HA2 GLY A 71 17.172 -10.080 8.856 1.00 1.00 H new ATOM 0 HA3 GLY A 71 17.085 -8.557 9.719 1.00 1.00 H new ATOM 1165 N ILE A 72 14.139 -9.048 9.533 1.00 1.00 N ATOM 1166 CA ILE A 72 12.847 -9.390 10.154 1.00 1.00 C ATOM 1167 C ILE A 72 12.042 -10.348 9.259 1.00 1.00 C ATOM 1168 O ILE A 72 12.315 -10.475 8.065 1.00 1.00 O ATOM 1169 CB ILE A 72 12.040 -8.076 10.403 1.00 1.00 C ATOM 1170 CG1 ILE A 72 12.903 -7.041 11.238 1.00 1.00 C ATOM 1171 CG2 ILE A 72 10.703 -8.402 11.152 1.00 1.00 C ATOM 1172 CD1 ILE A 72 13.990 -6.315 10.394 1.00 1.00 C ATOM 0 H ILE A 72 14.089 -8.258 8.890 1.00 1.00 H new ATOM 0 HA ILE A 72 13.030 -9.896 11.102 1.00 1.00 H new ATOM 0 HB ILE A 72 11.803 -7.624 9.440 1.00 1.00 H new ATOM 0 HG12 ILE A 72 12.238 -6.297 11.677 1.00 1.00 H new ATOM 0 HG13 ILE A 72 13.385 -7.565 12.064 1.00 1.00 H new ATOM 0 HG21 ILE A 72 10.147 -7.480 11.321 1.00 1.00 H new ATOM 0 HG22 ILE A 72 10.103 -9.082 10.547 1.00 1.00 H new ATOM 0 HG23 ILE A 72 10.928 -8.871 12.110 1.00 1.00 H new ATOM 0 HD11 ILE A 72 14.542 -5.622 11.030 1.00 1.00 H new ATOM 0 HD12 ILE A 72 14.678 -7.050 9.976 1.00 1.00 H new ATOM 0 HD13 ILE A 72 13.513 -5.763 9.584 1.00 1.00 H new ATOM 1184 N GLU A 73 11.063 -11.027 9.846 1.00 1.00 N ATOM 1185 CA GLU A 73 10.200 -12.006 9.118 1.00 1.00 C ATOM 1186 C GLU A 73 8.811 -11.405 8.839 1.00 1.00 C ATOM 1187 O GLU A 73 8.424 -10.384 9.408 1.00 1.00 O ATOM 1188 CB GLU A 73 10.042 -13.288 9.968 1.00 1.00 C ATOM 1189 CG GLU A 73 11.414 -13.970 10.172 1.00 1.00 C ATOM 1190 CD GLU A 73 11.279 -15.256 11.003 1.00 1.00 C ATOM 1191 OE1 GLU A 73 10.161 -15.700 11.220 1.00 1.00 O ATOM 1192 OE2 GLU A 73 12.306 -15.787 11.394 1.00 1.00 O ATOM 0 H GLU A 73 10.830 -10.930 10.834 1.00 1.00 H new ATOM 0 HA GLU A 73 10.675 -12.247 8.167 1.00 1.00 H new ATOM 0 HB2 GLU A 73 9.605 -13.040 10.935 1.00 1.00 H new ATOM 0 HB3 GLU A 73 9.356 -13.977 9.475 1.00 1.00 H new ATOM 0 HG2 GLU A 73 11.854 -14.205 9.203 1.00 1.00 H new ATOM 0 HG3 GLU A 73 12.095 -13.281 10.672 1.00 1.00 H new ATOM 1199 N MET A 74 8.059 -12.038 7.944 1.00 1.00 N ATOM 1200 CA MET A 74 6.693 -11.589 7.559 1.00 1.00 C ATOM 1201 C MET A 74 5.636 -12.589 8.081 1.00 1.00 C ATOM 1202 O MET A 74 5.497 -13.701 7.571 1.00 1.00 O ATOM 1203 CB MET A 74 6.591 -11.464 6.001 1.00 1.00 C ATOM 1204 CG MET A 74 7.332 -12.628 5.289 1.00 1.00 C ATOM 1205 SD MET A 74 7.020 -12.540 3.495 1.00 1.00 S ATOM 1206 CE MET A 74 5.509 -13.546 3.404 1.00 1.00 C ATOM 0 H MET A 74 8.365 -12.879 7.455 1.00 1.00 H new ATOM 0 HA MET A 74 6.503 -10.613 8.006 1.00 1.00 H new ATOM 0 HB2 MET A 74 5.543 -11.462 5.703 1.00 1.00 H new ATOM 0 HB3 MET A 74 7.015 -10.512 5.682 1.00 1.00 H new ATOM 0 HG2 MET A 74 8.402 -12.567 5.486 1.00 1.00 H new ATOM 0 HG3 MET A 74 6.990 -13.585 5.682 1.00 1.00 H new ATOM 0 HE1 MET A 74 5.171 -13.602 2.369 1.00 1.00 H new ATOM 0 HE2 MET A 74 5.718 -14.550 3.772 1.00 1.00 H new ATOM 0 HE3 MET A 74 4.731 -13.090 4.016 1.00 1.00 H new ATOM 1216 N VAL A 75 4.866 -12.179 9.083 1.00 1.00 N ATOM 1217 CA VAL A 75 3.822 -13.052 9.648 1.00 1.00 C ATOM 1218 C VAL A 75 2.807 -13.394 8.573 1.00 1.00 C ATOM 1219 O VAL A 75 2.850 -14.482 8.001 1.00 1.00 O ATOM 1220 CB VAL A 75 3.105 -12.357 10.849 1.00 1.00 C ATOM 1221 CG1 VAL A 75 1.984 -13.259 11.449 1.00 1.00 C ATOM 1222 CG2 VAL A 75 4.138 -12.023 11.949 1.00 1.00 C ATOM 0 H VAL A 75 4.936 -11.261 9.522 1.00 1.00 H new ATOM 0 HA VAL A 75 4.294 -13.965 10.011 1.00 1.00 H new ATOM 0 HB VAL A 75 2.642 -11.442 10.478 1.00 1.00 H new ATOM 0 HG11 VAL A 75 1.508 -12.742 12.282 1.00 1.00 H new ATOM 0 HG12 VAL A 75 1.240 -13.473 10.682 1.00 1.00 H new ATOM 0 HG13 VAL A 75 2.419 -14.193 11.803 1.00 1.00 H new ATOM 0 HG21 VAL A 75 3.635 -11.538 12.786 1.00 1.00 H new ATOM 0 HG22 VAL A 75 4.612 -12.942 12.294 1.00 1.00 H new ATOM 0 HG23 VAL A 75 4.897 -11.353 11.544 1.00 1.00 H new ATOM 1232 N SER A 76 1.878 -12.483 8.301 1.00 1.00 N ATOM 1233 CA SER A 76 0.821 -12.704 7.327 1.00 1.00 C ATOM 1234 C SER A 76 0.038 -11.417 7.098 1.00 1.00 C ATOM 1235 O SER A 76 0.064 -10.513 7.934 1.00 1.00 O ATOM 1236 CB SER A 76 -0.164 -13.727 7.923 1.00 1.00 C ATOM 1237 OG SER A 76 0.513 -14.928 8.246 1.00 1.00 O ATOM 0 H SER A 76 1.839 -11.569 8.752 1.00 1.00 H new ATOM 0 HA SER A 76 1.262 -13.047 6.391 1.00 1.00 H new ATOM 0 HB2 SER A 76 -0.632 -13.314 8.816 1.00 1.00 H new ATOM 0 HB3 SER A 76 -0.963 -13.932 7.210 1.00 1.00 H new ATOM 0 HG SER A 76 1.299 -15.026 7.669 1.00 1.00 H new ATOM 1243 N ILE A 77 -0.664 -11.341 5.972 1.00 1.00 N ATOM 1244 CA ILE A 77 -1.531 -10.188 5.688 1.00 1.00 C ATOM 1245 C ILE A 77 -0.720 -8.847 5.757 1.00 1.00 C ATOM 1246 O ILE A 77 0.459 -8.912 6.102 1.00 1.00 O ATOM 1247 CB ILE A 77 -2.796 -10.295 6.713 1.00 1.00 C ATOM 1248 CG1 ILE A 77 -2.582 -9.507 8.081 1.00 1.00 C ATOM 1249 CG2 ILE A 77 -3.153 -11.782 7.033 1.00 1.00 C ATOM 1250 CD1 ILE A 77 -3.929 -9.240 8.773 1.00 1.00 C ATOM 0 H ILE A 77 -0.655 -12.054 5.243 1.00 1.00 H new ATOM 0 HA ILE A 77 -1.921 -10.194 4.670 1.00 1.00 H new ATOM 0 HB ILE A 77 -3.623 -9.820 6.185 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -1.937 -10.085 8.742 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -2.074 -8.562 7.886 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -4.000 -11.813 7.718 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -3.414 -12.300 6.110 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -2.295 -12.271 7.494 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -3.759 -8.701 9.705 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -4.562 -8.641 8.118 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.422 -10.188 8.987 1.00 1.00 H new ATOM 1262 N PRO A 78 -1.299 -7.699 5.538 1.00 1.00 N ATOM 1263 CA PRO A 78 -2.714 -7.446 5.112 1.00 1.00 C ATOM 1264 C PRO A 78 -2.839 -7.186 3.611 1.00 1.00 C ATOM 1265 O PRO A 78 -1.866 -6.929 2.903 1.00 1.00 O ATOM 1266 CB PRO A 78 -3.044 -6.216 5.945 1.00 1.00 C ATOM 1267 CG PRO A 78 -1.815 -5.361 5.763 1.00 1.00 C ATOM 1268 CD PRO A 78 -0.630 -6.380 5.692 1.00 1.00 C ATOM 0 HA PRO A 78 -3.386 -8.290 5.269 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -3.944 -5.714 5.589 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -3.212 -6.468 6.992 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -1.879 -4.764 4.853 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -1.690 -4.665 6.593 1.00 1.00 H new ATOM 0 HD2 PRO A 78 0.030 -6.167 4.851 1.00 1.00 H new ATOM 0 HD3 PRO A 78 -0.019 -6.345 6.594 1.00 1.00 H new ATOM 1276 N ASP A 79 -4.079 -7.249 3.135 1.00 1.00 N ATOM 1277 CA ASP A 79 -4.391 -7.012 1.711 1.00 1.00 C ATOM 1278 C ASP A 79 -5.087 -5.664 1.582 1.00 1.00 C ATOM 1279 O ASP A 79 -5.657 -5.119 2.527 1.00 1.00 O ATOM 1280 CB ASP A 79 -5.281 -8.149 1.149 1.00 1.00 C ATOM 1281 CG ASP A 79 -4.716 -9.510 1.564 1.00 1.00 C ATOM 1282 OD1 ASP A 79 -3.502 -9.644 1.604 1.00 1.00 O ATOM 1283 OD2 ASP A 79 -5.506 -10.399 1.833 1.00 1.00 O ATOM 0 H ASP A 79 -4.894 -7.463 3.710 1.00 1.00 H new ATOM 0 HA ASP A 79 -3.469 -7.002 1.130 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -6.300 -8.041 1.520 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -5.328 -8.082 0.062 1.00 1.00 H new ATOM 1288 N VAL A 80 -5.047 -5.091 0.382 1.00 1.00 N ATOM 1289 CA VAL A 80 -5.659 -3.776 0.108 1.00 1.00 C ATOM 1290 C VAL A 80 -6.667 -3.898 -1.029 1.00 1.00 C ATOM 1291 O VAL A 80 -6.441 -4.544 -2.052 1.00 1.00 O ATOM 1292 CB VAL A 80 -4.546 -2.748 -0.252 1.00 1.00 C ATOM 1293 CG1 VAL A 80 -5.146 -1.329 -0.446 1.00 1.00 C ATOM 1294 CG2 VAL A 80 -3.498 -2.709 0.884 1.00 1.00 C ATOM 0 H VAL A 80 -4.595 -5.514 -0.428 1.00 1.00 H new ATOM 0 HA VAL A 80 -6.185 -3.427 0.997 1.00 1.00 H new ATOM 0 HB VAL A 80 -4.076 -3.058 -1.186 1.00 1.00 H new ATOM 0 HG11 VAL A 80 -4.350 -0.628 -0.697 1.00 1.00 H new ATOM 0 HG12 VAL A 80 -5.878 -1.351 -1.254 1.00 1.00 H new ATOM 0 HG13 VAL A 80 -5.632 -1.011 0.476 1.00 1.00 H new ATOM 0 HG21 VAL A 80 -2.718 -1.990 0.635 1.00 1.00 H new ATOM 0 HG22 VAL A 80 -3.981 -2.412 1.815 1.00 1.00 H new ATOM 0 HG23 VAL A 80 -3.055 -3.698 1.005 1.00 1.00 H new ATOM 1304 N THR A 81 -7.803 -3.231 -0.847 1.00 1.00 N ATOM 1305 CA THR A 81 -8.893 -3.227 -1.839 1.00 1.00 C ATOM 1306 C THR A 81 -9.418 -1.791 -1.999 1.00 1.00 C ATOM 1307 O THR A 81 -9.772 -1.113 -1.036 1.00 1.00 O ATOM 1308 CB THR A 81 -10.012 -4.185 -1.368 1.00 1.00 C ATOM 1309 OG1 THR A 81 -9.433 -5.444 -1.044 1.00 1.00 O ATOM 1310 CG2 THR A 81 -11.065 -4.392 -2.477 1.00 1.00 C ATOM 0 H THR A 81 -8.001 -2.678 -0.013 1.00 1.00 H new ATOM 0 HA THR A 81 -8.532 -3.573 -2.808 1.00 1.00 H new ATOM 0 HB THR A 81 -10.502 -3.748 -0.498 1.00 1.00 H new ATOM 0 HG1 THR A 81 -10.134 -6.059 -0.743 1.00 1.00 H new ATOM 0 HG21 THR A 81 -11.841 -5.070 -2.120 1.00 1.00 H new ATOM 0 HG22 THR A 81 -11.513 -3.433 -2.737 1.00 1.00 H new ATOM 0 HG23 THR A 81 -10.586 -4.820 -3.358 1.00 1.00 H new ATOM 1318 N TYR A 82 -9.466 -1.337 -3.247 1.00 1.00 N ATOM 1319 CA TYR A 82 -9.921 0.024 -3.554 1.00 1.00 C ATOM 1320 C TYR A 82 -10.666 0.041 -4.866 1.00 1.00 C ATOM 1321 O TYR A 82 -10.814 -0.977 -5.543 1.00 1.00 O ATOM 1322 CB TYR A 82 -8.711 0.984 -3.589 1.00 1.00 C ATOM 1323 CG TYR A 82 -7.723 0.602 -4.713 1.00 1.00 C ATOM 1324 CD1 TYR A 82 -6.944 -0.567 -4.599 1.00 1.00 C ATOM 1325 CD2 TYR A 82 -7.579 1.409 -5.864 1.00 1.00 C ATOM 1326 CE1 TYR A 82 -6.045 -0.915 -5.615 1.00 1.00 C ATOM 1327 CE2 TYR A 82 -6.672 1.050 -6.870 1.00 1.00 C ATOM 1328 CZ TYR A 82 -5.908 -0.109 -6.745 1.00 1.00 C ATOM 1329 OH TYR A 82 -5.022 -0.460 -7.741 1.00 1.00 O ATOM 0 H TYR A 82 -9.197 -1.886 -4.064 1.00 1.00 H new ATOM 0 HA TYR A 82 -10.605 0.360 -2.775 1.00 1.00 H new ATOM 0 HB2 TYR A 82 -9.059 2.006 -3.740 1.00 1.00 H new ATOM 0 HB3 TYR A 82 -8.198 0.961 -2.628 1.00 1.00 H new ATOM 0 HD1 TYR A 82 -7.041 -1.196 -3.726 1.00 1.00 H new ATOM 0 HD2 TYR A 82 -8.171 2.306 -5.969 1.00 1.00 H new ATOM 0 HE1 TYR A 82 -5.454 -1.814 -5.523 1.00 1.00 H new ATOM 0 HE2 TYR A 82 -6.565 1.674 -7.745 1.00 1.00 H new ATOM 0 HH TYR A 82 -5.052 0.209 -8.456 1.00 1.00 H new ATOM 1339 N THR A 83 -11.170 1.205 -5.260 1.00 1.00 N ATOM 1340 CA THR A 83 -11.947 1.350 -6.518 1.00 1.00 C ATOM 1341 C THR A 83 -11.281 2.366 -7.446 1.00 1.00 C ATOM 1342 O THR A 83 -11.330 3.577 -7.224 1.00 1.00 O ATOM 1343 CB THR A 83 -13.385 1.800 -6.156 1.00 1.00 C ATOM 1344 OG1 THR A 83 -13.904 0.914 -5.176 1.00 1.00 O ATOM 1345 CG2 THR A 83 -14.310 1.773 -7.393 1.00 1.00 C ATOM 0 H THR A 83 -11.062 2.073 -4.735 1.00 1.00 H new ATOM 0 HA THR A 83 -11.981 0.396 -7.045 1.00 1.00 H new ATOM 0 HB THR A 83 -13.345 2.822 -5.779 1.00 1.00 H new ATOM 0 HG1 THR A 83 -14.814 1.188 -4.936 1.00 1.00 H new ATOM 0 HG21 THR A 83 -15.311 2.094 -7.106 1.00 1.00 H new ATOM 0 HG22 THR A 83 -13.918 2.446 -8.155 1.00 1.00 H new ATOM 0 HG23 THR A 83 -14.354 0.760 -7.792 1.00 1.00 H new ATOM 1353 N LEU A 84 -10.669 1.866 -8.515 1.00 1.00 N ATOM 1354 CA LEU A 84 -9.978 2.725 -9.491 1.00 1.00 C ATOM 1355 C LEU A 84 -10.975 3.215 -10.516 1.00 1.00 C ATOM 1356 O LEU A 84 -11.700 2.411 -11.101 1.00 1.00 O ATOM 1357 CB LEU A 84 -8.886 1.878 -10.208 1.00 1.00 C ATOM 1358 CG LEU A 84 -7.913 2.712 -11.121 1.00 1.00 C ATOM 1359 CD1 LEU A 84 -8.615 3.279 -12.394 1.00 1.00 C ATOM 1360 CD2 LEU A 84 -7.181 3.842 -10.319 1.00 1.00 C ATOM 0 H LEU A 84 -10.633 0.870 -8.734 1.00 1.00 H new ATOM 0 HA LEU A 84 -9.524 3.578 -8.986 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -8.298 1.353 -9.455 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -9.375 1.118 -10.818 1.00 1.00 H new ATOM 0 HG LEU A 84 -7.154 2.012 -11.470 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -7.895 3.845 -12.985 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -9.007 2.455 -12.991 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -9.434 3.933 -12.097 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -6.520 4.393 -10.988 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -7.919 4.524 -9.896 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -6.595 3.396 -9.515 1.00 1.00 H new ATOM 1372 N LYS A 85 -11.032 4.520 -10.762 1.00 1.00 N ATOM 1373 CA LYS A 85 -11.945 5.118 -11.746 1.00 1.00 C ATOM 1374 C LYS A 85 -11.185 6.053 -12.686 1.00 1.00 C ATOM 1375 O LYS A 85 -10.093 6.547 -12.404 1.00 1.00 O ATOM 1376 CB LYS A 85 -13.072 5.876 -10.990 1.00 1.00 C ATOM 1377 CG LYS A 85 -14.119 4.865 -10.380 1.00 1.00 C ATOM 1378 CD LYS A 85 -15.229 4.448 -11.431 1.00 1.00 C ATOM 1379 CE LYS A 85 -16.418 5.437 -11.408 1.00 1.00 C ATOM 1380 NZ LYS A 85 -17.105 5.334 -10.095 1.00 1.00 N ATOM 0 H LYS A 85 -10.444 5.202 -10.284 1.00 1.00 H new ATOM 0 HA LYS A 85 -12.391 4.334 -12.358 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -12.638 6.481 -10.194 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -13.576 6.561 -11.672 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -13.599 3.973 -10.030 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -14.596 5.318 -9.511 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -14.795 4.419 -12.431 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -15.585 3.442 -11.209 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -16.064 6.455 -11.569 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -17.113 5.209 -12.216 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -18.107 5.588 -10.207 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -17.033 4.359 -9.741 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -16.657 5.983 -9.417 1.00 1.00 H new ATOM 1394 N ALA A 86 -11.796 6.299 -13.839 1.00 1.00 N ATOM 1395 CA ALA A 86 -11.210 7.157 -14.876 1.00 1.00 C ATOM 1396 C ALA A 86 -11.209 8.617 -14.446 1.00 1.00 C ATOM 1397 O ALA A 86 -12.182 9.107 -13.874 1.00 1.00 O ATOM 1398 CB ALA A 86 -12.008 6.989 -16.186 1.00 1.00 C ATOM 0 H ALA A 86 -12.708 5.914 -14.086 1.00 1.00 H new ATOM 0 HA ALA A 86 -10.174 6.856 -15.034 1.00 1.00 H new ATOM 0 HB1 ALA A 86 -11.576 7.625 -16.959 1.00 1.00 H new ATOM 0 HB2 ALA A 86 -11.966 5.948 -16.507 1.00 1.00 H new ATOM 0 HB3 ALA A 86 -13.046 7.276 -16.019 1.00 1.00 H new ATOM 1404 N LYS A 87 -10.107 9.312 -14.712 1.00 1.00 N ATOM 1405 CA LYS A 87 -9.973 10.721 -14.353 1.00 1.00 C ATOM 1406 C LYS A 87 -11.055 11.552 -15.054 1.00 1.00 C ATOM 1407 O LYS A 87 -11.184 11.539 -16.278 1.00 1.00 O ATOM 1408 CB LYS A 87 -8.541 11.231 -14.747 1.00 1.00 C ATOM 1409 CG LYS A 87 -8.126 12.553 -13.979 1.00 1.00 C ATOM 1410 CD LYS A 87 -8.629 13.835 -14.698 1.00 1.00 C ATOM 1411 CE LYS A 87 -8.203 15.088 -13.906 1.00 1.00 C ATOM 1412 NZ LYS A 87 -8.843 15.047 -12.558 1.00 1.00 N ATOM 0 H LYS A 87 -9.289 8.920 -15.178 1.00 1.00 H new ATOM 0 HA LYS A 87 -10.102 10.832 -13.276 1.00 1.00 H new ATOM 0 HB2 LYS A 87 -7.811 10.449 -14.536 1.00 1.00 H new ATOM 0 HB3 LYS A 87 -8.509 11.415 -15.821 1.00 1.00 H new ATOM 0 HG2 LYS A 87 -8.530 12.525 -12.967 1.00 1.00 H new ATOM 0 HG3 LYS A 87 -7.041 12.592 -13.888 1.00 1.00 H new ATOM 0 HD2 LYS A 87 -8.222 13.878 -15.708 1.00 1.00 H new ATOM 0 HD3 LYS A 87 -9.715 13.806 -14.792 1.00 1.00 H new ATOM 0 HE2 LYS A 87 -7.118 15.121 -13.808 1.00 1.00 H new ATOM 0 HE3 LYS A 87 -8.502 15.991 -14.438 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 -8.838 16.000 -12.142 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 -9.824 14.714 -12.649 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 -8.313 14.398 -11.942 1.00 1.00 H new ATOM 1426 N GLU A 88 -11.828 12.285 -14.261 1.00 1.00 N ATOM 1427 CA GLU A 88 -12.898 13.128 -14.799 1.00 1.00 C ATOM 1428 C GLU A 88 -13.356 14.114 -13.731 1.00 1.00 C ATOM 1429 O GLU A 88 -14.326 13.871 -13.013 1.00 1.00 O ATOM 1430 CB GLU A 88 -14.071 12.233 -15.267 1.00 1.00 C ATOM 1431 CG GLU A 88 -15.170 13.071 -15.968 1.00 1.00 C ATOM 1432 CD GLU A 88 -16.305 12.174 -16.490 1.00 1.00 C ATOM 1433 OE1 GLU A 88 -16.372 11.021 -16.091 1.00 1.00 O ATOM 1434 OE2 GLU A 88 -17.097 12.663 -17.281 1.00 1.00 O ATOM 0 H GLU A 88 -11.737 12.315 -13.246 1.00 1.00 H new ATOM 0 HA GLU A 88 -12.532 13.695 -15.655 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -13.699 11.470 -15.951 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -14.498 11.712 -14.410 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -15.574 13.803 -15.269 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -14.733 13.628 -16.797 1.00 1.00 H new ATOM 1441 N ASP A 89 -12.659 15.241 -13.641 1.00 1.00 N ATOM 1442 CA ASP A 89 -12.957 16.283 -12.659 1.00 1.00 C ATOM 1443 C ASP A 89 -14.428 16.801 -12.798 1.00 1.00 C ATOM 1444 O ASP A 89 -14.826 17.119 -13.920 1.00 1.00 O ATOM 1445 CB ASP A 89 -11.934 17.446 -12.855 1.00 1.00 C ATOM 1446 CG ASP A 89 -11.742 17.764 -14.338 1.00 1.00 C ATOM 1447 OD1 ASP A 89 -12.667 17.546 -15.105 1.00 1.00 O ATOM 1448 OD2 ASP A 89 -10.662 18.205 -14.689 1.00 1.00 O ATOM 0 H ASP A 89 -11.869 15.461 -14.247 1.00 1.00 H new ATOM 0 HA ASP A 89 -12.866 15.871 -11.654 1.00 1.00 H new ATOM 0 HB2 ASP A 89 -12.285 18.335 -12.331 1.00 1.00 H new ATOM 0 HB3 ASP A 89 -10.977 17.172 -12.412 1.00 1.00 H new ATOM 1453 N PRO A 90 -15.182 16.921 -11.741 1.00 1.00 N ATOM 1454 CA PRO A 90 -16.604 17.427 -11.838 1.00 1.00 C ATOM 1455 C PRO A 90 -16.660 18.952 -11.782 1.00 1.00 C ATOM 1456 O PRO A 90 -17.467 19.598 -12.451 1.00 1.00 O ATOM 1457 CB PRO A 90 -17.255 16.792 -10.588 1.00 1.00 C ATOM 1458 CG PRO A 90 -16.177 16.906 -9.544 1.00 1.00 C ATOM 1459 CD PRO A 90 -14.853 16.629 -10.308 1.00 1.00 C ATOM 0 HA PRO A 90 -17.100 17.167 -12.773 1.00 1.00 H new ATOM 0 HB2 PRO A 90 -18.160 17.322 -10.292 1.00 1.00 H new ATOM 0 HB3 PRO A 90 -17.537 15.754 -10.764 1.00 1.00 H new ATOM 0 HG2 PRO A 90 -16.171 17.896 -9.088 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -16.328 16.186 -8.740 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -14.045 17.266 -9.948 1.00 1.00 H new ATOM 0 HD3 PRO A 90 -14.527 15.597 -10.177 1.00 1.00 H new ATOM 1467 N LEU A 91 -15.792 19.522 -10.954 1.00 1.00 N ATOM 1468 CA LEU A 91 -15.716 20.970 -10.763 1.00 1.00 C ATOM 1469 C LEU A 91 -15.375 21.691 -12.071 1.00 1.00 C ATOM 1470 O LEU A 91 -15.821 22.817 -12.288 1.00 1.00 O ATOM 1471 CB LEU A 91 -14.659 21.266 -9.666 1.00 1.00 C ATOM 1472 CG LEU A 91 -13.230 20.663 -10.045 1.00 1.00 C ATOM 1473 CD1 LEU A 91 -12.296 21.763 -10.619 1.00 1.00 C ATOM 1474 CD2 LEU A 91 -12.554 20.024 -8.796 1.00 1.00 C ATOM 0 H LEU A 91 -15.120 18.996 -10.395 1.00 1.00 H new ATOM 0 HA LEU A 91 -16.689 21.345 -10.446 1.00 1.00 H new ATOM 0 HB2 LEU A 91 -14.573 22.343 -9.524 1.00 1.00 H new ATOM 0 HB3 LEU A 91 -14.992 20.845 -8.717 1.00 1.00 H new ATOM 0 HG LEU A 91 -13.389 19.897 -10.804 1.00 1.00 H new ATOM 0 HD11 LEU A 91 -11.329 21.326 -10.869 1.00 1.00 H new ATOM 0 HD12 LEU A 91 -12.744 22.189 -11.516 1.00 1.00 H new ATOM 0 HD13 LEU A 91 -12.158 22.548 -9.875 1.00 1.00 H new ATOM 0 HD21 LEU A 91 -11.581 19.619 -9.076 1.00 1.00 H new ATOM 0 HD22 LEU A 91 -12.423 20.783 -8.025 1.00 1.00 H new ATOM 0 HD23 LEU A 91 -13.184 19.222 -8.412 1.00 1.00 H new ATOM 1486 N GLU A 92 -14.602 21.036 -12.931 1.00 1.00 N ATOM 1487 CA GLU A 92 -14.208 21.632 -14.220 1.00 1.00 C ATOM 1488 C GLU A 92 -15.448 21.913 -15.078 1.00 1.00 C ATOM 1489 O GLU A 92 -15.914 21.062 -15.835 1.00 1.00 O ATOM 1490 CB GLU A 92 -13.238 20.679 -14.960 1.00 1.00 C ATOM 1491 CG GLU A 92 -12.665 21.320 -16.256 1.00 1.00 C ATOM 1492 CD GLU A 92 -11.772 22.526 -15.942 1.00 1.00 C ATOM 1493 OE1 GLU A 92 -11.251 22.594 -14.839 1.00 1.00 O ATOM 1494 OE2 GLU A 92 -11.618 23.362 -16.817 1.00 1.00 O ATOM 0 H GLU A 92 -14.234 20.099 -12.768 1.00 1.00 H new ATOM 0 HA GLU A 92 -13.700 22.579 -14.036 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -12.417 20.410 -14.295 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -13.759 19.756 -15.212 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -12.091 20.575 -16.808 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -13.486 21.633 -16.902 1.00 1.00 H new ATOM 1501 N HIS A 93 -15.993 23.118 -14.959 1.00 1.00 N ATOM 1502 CA HIS A 93 -17.187 23.513 -15.711 1.00 1.00 C ATOM 1503 C HIS A 93 -16.910 23.542 -17.218 1.00 1.00 C ATOM 1504 O HIS A 93 -17.759 23.136 -18.010 1.00 1.00 O ATOM 1505 CB HIS A 93 -17.649 24.908 -15.236 1.00 1.00 C ATOM 1506 CG HIS A 93 -17.949 24.867 -13.760 1.00 1.00 C ATOM 1507 ND1 HIS A 93 -16.983 25.125 -12.802 1.00 1.00 N ATOM 1508 CD2 HIS A 93 -19.100 24.590 -13.064 1.00 1.00 C ATOM 1509 CE1 HIS A 93 -17.561 25.000 -11.594 1.00 1.00 C ATOM 1510 NE2 HIS A 93 -18.852 24.673 -11.696 1.00 1.00 N ATOM 0 H HIS A 93 -15.627 23.846 -14.345 1.00 1.00 H new ATOM 0 HA HIS A 93 -17.971 22.778 -15.528 1.00 1.00 H new ATOM 0 HB2 HIS A 93 -16.874 25.647 -15.439 1.00 1.00 H new ATOM 0 HB3 HIS A 93 -18.536 25.216 -15.789 1.00 1.00 H new ATOM 0 HD2 HIS A 93 -20.053 24.345 -13.510 1.00 1.00 H new ATOM 0 HE1 HIS A 93 -17.045 25.146 -10.657 1.00 1.00 H new ATOM 0 HE2 HIS A 93 -19.514 24.518 -10.936 1.00 1.00 H new ATOM 1519 N HIS A 94 -15.732 24.023 -17.606 1.00 1.00 N ATOM 1520 CA HIS A 94 -15.350 24.118 -19.019 1.00 1.00 C ATOM 1521 C HIS A 94 -15.306 22.724 -19.672 1.00 1.00 C ATOM 1522 O HIS A 94 -14.604 21.820 -19.218 1.00 1.00 O ATOM 1523 CB HIS A 94 -13.971 24.808 -19.139 1.00 1.00 C ATOM 1524 CG HIS A 94 -13.608 25.024 -20.592 1.00 1.00 C ATOM 1525 ND1 HIS A 94 -14.186 26.025 -21.357 1.00 1.00 N ATOM 1526 CD2 HIS A 94 -12.743 24.363 -21.431 1.00 1.00 C ATOM 1527 CE1 HIS A 94 -13.668 25.937 -22.597 1.00 1.00 C ATOM 1528 NE2 HIS A 94 -12.784 24.942 -22.696 1.00 1.00 N ATOM 0 H HIS A 94 -15.018 24.356 -16.959 1.00 1.00 H new ATOM 0 HA HIS A 94 -16.099 24.712 -19.543 1.00 1.00 H new ATOM 0 HB2 HIS A 94 -13.991 25.765 -18.617 1.00 1.00 H new ATOM 0 HB3 HIS A 94 -13.209 24.197 -18.655 1.00 1.00 H new ATOM 0 HD2 HIS A 94 -12.125 23.522 -21.151 1.00 1.00 H new ATOM 0 HE1 HIS A 94 -13.936 26.592 -23.413 1.00 1.00 H new ATOM 0 HE2 HIS A 94 -12.253 24.665 -23.521 1.00 1.00 H new ATOM 1537 N HIS A 95 -16.056 22.555 -20.756 1.00 1.00 N ATOM 1538 CA HIS A 95 -16.106 21.275 -21.478 1.00 1.00 C ATOM 1539 C HIS A 95 -16.802 21.449 -22.831 1.00 1.00 C ATOM 1540 O HIS A 95 -16.793 20.548 -23.671 1.00 1.00 O ATOM 1541 CB HIS A 95 -16.861 20.235 -20.616 1.00 1.00 C ATOM 1542 CG HIS A 95 -18.234 20.755 -20.258 1.00 1.00 C ATOM 1543 ND1 HIS A 95 -18.665 22.033 -20.598 1.00 1.00 N ATOM 1544 CD2 HIS A 95 -19.283 20.178 -19.584 1.00 1.00 C ATOM 1545 CE1 HIS A 95 -19.918 22.177 -20.133 1.00 1.00 C ATOM 1546 NE2 HIS A 95 -20.344 21.077 -19.506 1.00 1.00 N ATOM 0 H HIS A 95 -16.641 23.286 -21.160 1.00 1.00 H new ATOM 0 HA HIS A 95 -15.090 20.926 -21.662 1.00 1.00 H new ATOM 0 HB2 HIS A 95 -16.950 19.295 -21.161 1.00 1.00 H new ATOM 0 HB3 HIS A 95 -16.295 20.024 -19.708 1.00 1.00 H new ATOM 0 HD2 HIS A 95 -19.285 19.178 -19.176 1.00 1.00 H new ATOM 0 HE1 HIS A 95 -20.509 23.073 -20.252 1.00 1.00 H new ATOM 0 HE2 HIS A 95 -21.251 20.928 -19.065 1.00 1.00 H new ATOM 1555 N HIS A 96 -17.415 22.609 -23.040 1.00 1.00 N ATOM 1556 CA HIS A 96 -18.122 22.898 -24.294 1.00 1.00 C ATOM 1557 C HIS A 96 -17.153 22.877 -25.485 1.00 1.00 C ATOM 1558 O HIS A 96 -17.489 22.366 -26.554 1.00 1.00 O ATOM 1559 CB HIS A 96 -18.825 24.272 -24.196 1.00 1.00 C ATOM 1560 CG HIS A 96 -19.652 24.533 -25.436 1.00 1.00 C ATOM 1561 ND1 HIS A 96 -19.106 25.068 -26.592 1.00 1.00 N ATOM 1562 CD2 HIS A 96 -20.977 24.303 -25.718 1.00 1.00 C ATOM 1563 CE1 HIS A 96 -20.089 25.142 -27.509 1.00 1.00 C ATOM 1564 NE2 HIS A 96 -21.250 24.689 -27.028 1.00 1.00 N ATOM 0 H HIS A 96 -17.440 23.369 -22.360 1.00 1.00 H new ATOM 0 HA HIS A 96 -18.873 22.124 -24.456 1.00 1.00 H new ATOM 0 HB2 HIS A 96 -19.464 24.298 -23.313 1.00 1.00 H new ATOM 0 HB3 HIS A 96 -18.082 25.060 -24.075 1.00 1.00 H new ATOM 0 HD1 HIS A 96 -18.136 25.354 -26.724 1.00 1.00 H new ATOM 0 HD2 HIS A 96 -21.697 23.886 -25.029 1.00 1.00 H new ATOM 0 HE1 HIS A 96 -19.955 25.521 -28.511 1.00 1.00 H new ATOM 1573 N HIS A 97 -15.959 23.437 -25.303 1.00 1.00 N ATOM 1574 CA HIS A 97 -14.942 23.493 -26.361 1.00 1.00 C ATOM 1575 C HIS A 97 -15.500 24.157 -27.629 1.00 1.00 C ATOM 1576 O HIS A 97 -16.635 24.635 -27.643 1.00 1.00 O ATOM 1577 CB HIS A 97 -14.423 22.074 -26.688 1.00 1.00 C ATOM 1578 CG HIS A 97 -13.860 21.433 -25.445 1.00 1.00 C ATOM 1579 ND1 HIS A 97 -14.376 20.256 -24.921 1.00 1.00 N ATOM 1580 CD2 HIS A 97 -12.825 21.789 -24.618 1.00 1.00 C ATOM 1581 CE1 HIS A 97 -13.656 19.951 -23.826 1.00 1.00 C ATOM 1582 NE2 HIS A 97 -12.698 20.852 -23.596 1.00 1.00 N ATOM 0 H HIS A 97 -15.666 23.864 -24.424 1.00 1.00 H new ATOM 0 HA HIS A 97 -14.111 24.097 -25.996 1.00 1.00 H new ATOM 0 HB2 HIS A 97 -15.234 21.464 -27.087 1.00 1.00 H new ATOM 0 HB3 HIS A 97 -13.655 22.127 -27.460 1.00 1.00 H new ATOM 0 HD2 HIS A 97 -12.203 22.663 -24.741 1.00 1.00 H new ATOM 0 HE1 HIS A 97 -13.832 19.083 -23.208 1.00 1.00 H new ATOM 0 HE2 HIS A 97 -12.019 20.854 -22.835 1.00 1.00 H new ATOM 1591 N HIS A 98 -14.697 24.178 -28.688 1.00 1.00 N ATOM 1592 CA HIS A 98 -15.097 24.785 -29.967 1.00 1.00 C ATOM 1593 C HIS A 98 -15.507 26.254 -29.777 1.00 1.00 C ATOM 1594 O HIS A 98 -14.663 27.115 -29.970 1.00 1.00 O ATOM 1595 CB HIS A 98 -16.259 23.988 -30.605 1.00 1.00 C ATOM 1596 CG HIS A 98 -15.856 22.547 -30.780 1.00 1.00 C ATOM 1597 ND1 HIS A 98 -16.040 21.600 -29.785 1.00 1.00 N ATOM 1598 CD2 HIS A 98 -15.281 21.879 -31.833 1.00 1.00 C ATOM 1599 CE1 HIS A 98 -15.584 20.425 -30.254 1.00 1.00 C ATOM 1600 NE2 HIS A 98 -15.110 20.539 -31.498 1.00 1.00 N ATOM 1601 OXT HIS A 98 -16.655 26.488 -29.442 1.00 1.00 O ATOM 0 H HIS A 98 -13.758 23.780 -28.692 1.00 1.00 H new ATOM 0 HA HIS A 98 -14.237 24.753 -30.636 1.00 1.00 H new ATOM 0 HB2 HIS A 98 -17.146 24.053 -29.974 1.00 1.00 H new ATOM 0 HB3 HIS A 98 -16.522 24.421 -31.570 1.00 1.00 H new ATOM 0 HD2 HIS A 98 -15.004 22.325 -32.777 1.00 1.00 H new ATOM 0 HE1 HIS A 98 -15.599 19.502 -29.694 1.00 1.00 H new ATOM 0 HE2 HIS A 98 -14.709 19.802 -32.078 1.00 1.00 H new TER 1610 HIS A 98