USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 646 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 16 TYR OH : rot -65:sc= 1.84 USER MOD Set 1.2: A 65 ASN : amide:sc= -2.35! C(o=0.81!,f=-3.7!) USER MOD Set 1.3: A 68 SER OG : rot -148:sc= 1.32 USER MOD Single : A 1 ILE N :NH3+ 140:sc= 0.0845 (180deg=-0.402) USER MOD Single : A 5 HIS : no HE2:sc= 0.0032 K(o=0.0032,f=-5.7!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.3 X(o=-1.3,f=-0.96) USER MOD Single : A 24 SER OG : rot -89:sc= -1.24 USER MOD Single : A 26 GLN : amide:sc=-0.00489 X(o=-0.0049,f=-0.45) USER MOD Single : A 32 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0354) USER MOD Single : A 33 ASN : amide:sc= 0.869 K(o=0.87,f=-0.01) USER MOD Single : A 35 HIS : no HE2:sc= -1.8 K(o=-1.8,f=-3.4!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 37 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.26) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0.303 X(o=0.3,f=0) USER MOD Single : A 46 SER OG : rot 91:sc= 0.425 USER MOD Single : A 49 ASN : amide:sc= -0.0329 K(o=-0.033,f=-1.5!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -1.23! C(o=-1.2!,f=-4.3!) USER MOD Single : A 60 ASN : amide:sc= -0.167 X(o=-0.17,f=0.24) USER MOD Single : A 62 ASN : amide:sc= 0.0494 K(o=0.049,f=-12!) USER MOD Single : A 72 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.09) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= -1.07 USER MOD Single : A 80 THR OG1 : rot 176:sc= 1.62 USER MOD Single : A 82 SER OG : rot 180:sc= -0.414 USER MOD Single : A 84 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.45) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -2.738 5.348 14.978 1.00 0.00 N ATOM 2 CA ILE A 1 -2.268 6.133 13.800 1.00 0.00 C ATOM 3 C ILE A 1 -3.525 6.629 13.043 1.00 0.00 C ATOM 4 O ILE A 1 -4.588 6.049 13.179 1.00 0.00 O ATOM 5 CB ILE A 1 -1.336 5.179 12.946 1.00 0.00 C ATOM 6 CG1 ILE A 1 -0.671 5.912 11.746 1.00 0.00 C ATOM 7 CG2 ILE A 1 -2.113 3.985 12.445 1.00 0.00 C ATOM 8 CD1 ILE A 1 0.559 5.072 11.254 1.00 0.00 C ATOM 0 H1 ILE A 1 -2.132 4.512 15.102 1.00 0.00 H new ATOM 0 H2 ILE A 1 -2.690 5.940 15.831 1.00 0.00 H new ATOM 0 H3 ILE A 1 -3.720 5.043 14.823 1.00 0.00 H new ATOM 0 HA ILE A 1 -1.681 7.014 14.060 1.00 0.00 H new ATOM 0 HB ILE A 1 -0.539 4.845 13.611 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -1.390 6.037 10.936 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -0.350 6.910 12.045 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -1.455 3.342 11.861 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -2.507 3.426 13.293 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -2.938 4.325 11.819 1.00 0.00 H new ATOM 0 HD11 ILE A 1 1.032 5.578 10.412 1.00 0.00 H new ATOM 0 HD12 ILE A 1 1.278 4.970 12.067 1.00 0.00 H new ATOM 0 HD13 ILE A 1 0.223 4.084 10.941 1.00 0.00 H new ATOM 22 N ASP A 2 -3.376 7.674 12.280 1.00 0.00 N ATOM 23 CA ASP A 2 -4.526 8.247 11.508 1.00 0.00 C ATOM 24 C ASP A 2 -4.130 8.523 10.058 1.00 0.00 C ATOM 25 O ASP A 2 -4.500 9.524 9.486 1.00 0.00 O ATOM 26 CB ASP A 2 -4.941 9.531 12.285 1.00 0.00 C ATOM 27 CG ASP A 2 -3.672 10.234 12.806 1.00 0.00 C ATOM 28 OD1 ASP A 2 -2.990 10.857 12.013 1.00 0.00 O ATOM 29 OD2 ASP A 2 -3.448 10.074 13.994 1.00 0.00 O ATOM 0 H ASP A 2 -2.493 8.168 12.153 1.00 0.00 H new ATOM 0 HA ASP A 2 -5.367 7.557 11.436 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -5.502 10.201 11.633 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -5.597 9.273 13.117 1.00 0.00 H new ATOM 34 N CYS A 3 -3.399 7.611 9.480 1.00 0.00 N ATOM 35 CA CYS A 3 -2.926 7.755 8.063 1.00 0.00 C ATOM 36 C CYS A 3 -2.279 9.141 7.831 1.00 0.00 C ATOM 37 O CYS A 3 -2.383 9.742 6.783 1.00 0.00 O ATOM 38 CB CYS A 3 -4.099 7.569 7.074 1.00 0.00 C ATOM 39 SG CYS A 3 -3.505 7.325 5.384 1.00 0.00 S ATOM 0 H CYS A 3 -3.100 6.750 9.937 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.179 6.981 7.887 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.700 6.712 7.377 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.749 8.443 7.110 1.00 0.00 H new ATOM 44 N GLY A 4 -1.591 9.617 8.836 1.00 0.00 N ATOM 45 CA GLY A 4 -0.913 10.945 8.725 1.00 0.00 C ATOM 46 C GLY A 4 0.436 10.753 8.018 1.00 0.00 C ATOM 47 O GLY A 4 0.913 11.634 7.333 1.00 0.00 O ATOM 0 H GLY A 4 -1.469 9.143 9.731 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.537 11.642 8.165 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.763 11.376 9.715 1.00 0.00 H new ATOM 51 N HIS A 5 1.036 9.604 8.194 1.00 0.00 N ATOM 52 CA HIS A 5 2.354 9.337 7.535 1.00 0.00 C ATOM 53 C HIS A 5 2.207 8.210 6.508 1.00 0.00 C ATOM 54 O HIS A 5 2.850 8.230 5.477 1.00 0.00 O ATOM 55 CB HIS A 5 3.403 8.912 8.567 1.00 0.00 C ATOM 56 CG HIS A 5 4.794 9.093 7.929 1.00 0.00 C ATOM 57 ND1 HIS A 5 5.074 9.014 6.666 1.00 0.00 N ATOM 58 CD2 HIS A 5 6.007 9.369 8.519 1.00 0.00 C ATOM 59 CE1 HIS A 5 6.337 9.221 6.480 1.00 0.00 C ATOM 60 NE2 HIS A 5 6.958 9.448 7.609 1.00 0.00 N ATOM 0 H HIS A 5 0.673 8.840 8.764 1.00 0.00 H new ATOM 0 HA HIS A 5 2.675 10.257 7.046 1.00 0.00 H new ATOM 0 HB2 HIS A 5 3.316 9.516 9.471 1.00 0.00 H new ATOM 0 HB3 HIS A 5 3.250 7.874 8.861 1.00 0.00 H new ATOM 0 HD1 HIS A 5 4.398 8.818 5.928 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.159 9.502 9.580 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.819 9.208 5.514 1.00 0.00 H new ATOM 68 N VAL A 6 1.385 7.239 6.795 1.00 0.00 N ATOM 69 CA VAL A 6 1.194 6.107 5.829 1.00 0.00 C ATOM 70 C VAL A 6 0.735 6.638 4.467 1.00 0.00 C ATOM 71 O VAL A 6 1.169 6.151 3.439 1.00 0.00 O ATOM 72 CB VAL A 6 0.135 5.112 6.341 1.00 0.00 C ATOM 73 CG1 VAL A 6 0.108 3.963 5.359 1.00 0.00 C ATOM 74 CG2 VAL A 6 0.495 4.614 7.720 1.00 0.00 C ATOM 0 H VAL A 6 0.836 7.175 7.652 1.00 0.00 H new ATOM 0 HA VAL A 6 2.153 5.599 5.732 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.842 5.590 6.415 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.630 3.228 5.679 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.157 4.336 4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.092 3.495 5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.265 3.913 8.064 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.462 4.112 7.685 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.549 5.457 8.409 1.00 0.00 H new ATOM 84 N ASP A 7 -0.142 7.611 4.471 1.00 0.00 N ATOM 85 CA ASP A 7 -0.642 8.203 3.178 1.00 0.00 C ATOM 86 C ASP A 7 0.517 8.584 2.253 1.00 0.00 C ATOM 87 O ASP A 7 0.491 8.327 1.066 1.00 0.00 O ATOM 88 CB ASP A 7 -1.475 9.506 3.420 1.00 0.00 C ATOM 89 CG ASP A 7 -1.553 10.362 2.120 1.00 0.00 C ATOM 90 OD1 ASP A 7 -2.417 10.086 1.300 1.00 0.00 O ATOM 91 OD2 ASP A 7 -0.728 11.254 2.011 1.00 0.00 O ATOM 0 H ASP A 7 -0.538 8.026 5.314 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.264 7.433 2.722 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.481 9.244 3.749 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.020 10.091 4.219 1.00 0.00 H new ATOM 96 N SER A 8 1.520 9.186 2.823 1.00 0.00 N ATOM 97 CA SER A 8 2.697 9.610 2.007 1.00 0.00 C ATOM 98 C SER A 8 3.645 8.429 1.729 1.00 0.00 C ATOM 99 O SER A 8 4.446 8.477 0.816 1.00 0.00 O ATOM 100 CB SER A 8 3.407 10.737 2.777 1.00 0.00 C ATOM 101 OG SER A 8 4.329 11.293 1.845 1.00 0.00 O ATOM 0 H SER A 8 1.579 9.404 3.818 1.00 0.00 H new ATOM 0 HA SER A 8 2.371 9.969 1.031 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.696 11.487 3.125 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.920 10.351 3.658 1.00 0.00 H new ATOM 0 HG SER A 8 4.822 12.026 2.270 1.00 0.00 H new ATOM 107 N LEU A 9 3.552 7.381 2.508 1.00 0.00 N ATOM 108 CA LEU A 9 4.426 6.207 2.304 1.00 0.00 C ATOM 109 C LEU A 9 3.891 5.329 1.158 1.00 0.00 C ATOM 110 O LEU A 9 4.658 4.766 0.403 1.00 0.00 O ATOM 111 CB LEU A 9 4.444 5.474 3.638 1.00 0.00 C ATOM 112 CG LEU A 9 5.252 6.223 4.743 1.00 0.00 C ATOM 113 CD1 LEU A 9 5.246 5.444 6.038 1.00 0.00 C ATOM 114 CD2 LEU A 9 6.681 6.458 4.317 1.00 0.00 C ATOM 0 H LEU A 9 2.896 7.297 3.284 1.00 0.00 H new ATOM 0 HA LEU A 9 5.437 6.488 2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.419 5.332 3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.872 4.482 3.494 1.00 0.00 H new ATOM 0 HG LEU A 9 4.765 7.186 4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.816 5.987 6.792 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.219 5.316 6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.699 4.466 5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.216 6.982 5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.165 5.501 4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.696 7.062 3.409 1.00 0.00 H new ATOM 126 N VAL A 10 2.593 5.226 1.062 1.00 0.00 N ATOM 127 CA VAL A 10 1.933 4.407 -0.016 1.00 0.00 C ATOM 128 C VAL A 10 1.779 5.205 -1.326 1.00 0.00 C ATOM 129 O VAL A 10 1.630 4.655 -2.401 1.00 0.00 O ATOM 130 CB VAL A 10 0.508 3.989 0.421 1.00 0.00 C ATOM 131 CG1 VAL A 10 0.571 3.079 1.625 1.00 0.00 C ATOM 132 CG2 VAL A 10 -0.360 5.189 0.733 1.00 0.00 C ATOM 0 H VAL A 10 1.940 5.684 1.698 1.00 0.00 H new ATOM 0 HA VAL A 10 2.572 3.539 -0.179 1.00 0.00 H new ATOM 0 HB VAL A 10 0.057 3.455 -0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.439 2.794 1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.142 2.185 1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.056 3.600 2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.351 4.852 1.036 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.091 5.763 1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.445 5.817 -0.154 1.00 0.00 H new ATOM 142 N ARG A 11 1.793 6.502 -1.196 1.00 0.00 N ATOM 143 CA ARG A 11 1.657 7.423 -2.370 1.00 0.00 C ATOM 144 C ARG A 11 2.678 7.154 -3.498 1.00 0.00 C ATOM 145 O ARG A 11 2.308 7.081 -4.653 1.00 0.00 O ATOM 146 CB ARG A 11 1.839 8.895 -1.882 1.00 0.00 C ATOM 147 CG ARG A 11 0.730 9.827 -2.400 1.00 0.00 C ATOM 148 CD ARG A 11 -0.569 9.525 -1.641 1.00 0.00 C ATOM 149 NE ARG A 11 -1.577 10.565 -2.020 1.00 0.00 N ATOM 150 CZ ARG A 11 -2.790 10.192 -2.266 1.00 0.00 C ATOM 151 NH1 ARG A 11 -3.592 10.131 -1.249 1.00 0.00 N ATOM 152 NH2 ARG A 11 -3.128 9.899 -3.484 1.00 0.00 N ATOM 0 H ARG A 11 1.896 6.980 -0.301 1.00 0.00 H new ATOM 0 HA ARG A 11 0.666 7.247 -2.788 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.847 8.915 -0.792 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.808 9.268 -2.215 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.016 10.869 -2.257 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.584 9.680 -3.470 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.935 8.530 -1.893 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.394 9.538 -0.565 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.312 11.548 -2.083 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.253 10.371 -0.317 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.562 9.843 -1.381 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.440 9.964 -4.234 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.082 9.603 -3.691 1.00 0.00 H new ATOM 166 N PRO A 12 3.945 7.046 -3.156 1.00 0.00 N ATOM 167 CA PRO A 12 5.005 6.772 -4.157 1.00 0.00 C ATOM 168 C PRO A 12 4.843 5.455 -4.923 1.00 0.00 C ATOM 169 O PRO A 12 5.270 5.370 -6.059 1.00 0.00 O ATOM 170 CB PRO A 12 6.310 6.826 -3.344 1.00 0.00 C ATOM 171 CG PRO A 12 5.845 6.411 -1.930 1.00 0.00 C ATOM 172 CD PRO A 12 4.536 7.181 -1.787 1.00 0.00 C ATOM 0 HA PRO A 12 4.973 7.505 -4.963 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.062 6.144 -3.740 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.750 7.823 -3.349 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.696 5.334 -1.849 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.569 6.691 -1.164 1.00 0.00 H new ATOM 0 HD2 PRO A 12 3.892 6.751 -1.020 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.703 8.223 -1.516 1.00 0.00 H new ATOM 180 N CYS A 13 4.248 4.440 -4.326 1.00 0.00 N ATOM 181 CA CYS A 13 4.103 3.184 -5.068 1.00 0.00 C ATOM 182 C CYS A 13 2.984 3.277 -6.104 1.00 0.00 C ATOM 183 O CYS A 13 2.951 2.524 -7.059 1.00 0.00 O ATOM 184 CB CYS A 13 3.845 2.147 -4.060 1.00 0.00 C ATOM 185 SG CYS A 13 5.251 1.640 -3.044 1.00 0.00 S ATOM 0 H CYS A 13 3.871 4.445 -3.378 1.00 0.00 H new ATOM 0 HA CYS A 13 5.001 2.949 -5.639 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.057 2.504 -3.397 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.457 1.265 -4.570 1.00 0.00 H new ATOM 190 N LEU A 14 2.072 4.191 -5.906 1.00 0.00 N ATOM 191 CA LEU A 14 0.945 4.363 -6.878 1.00 0.00 C ATOM 192 C LEU A 14 1.457 4.793 -8.262 1.00 0.00 C ATOM 193 O LEU A 14 0.859 4.484 -9.279 1.00 0.00 O ATOM 194 CB LEU A 14 -0.025 5.454 -6.419 1.00 0.00 C ATOM 195 CG LEU A 14 -1.208 4.864 -5.646 1.00 0.00 C ATOM 196 CD1 LEU A 14 -0.889 4.648 -4.187 1.00 0.00 C ATOM 197 CD2 LEU A 14 -2.349 5.829 -5.818 1.00 0.00 C ATOM 0 H LEU A 14 2.056 4.830 -5.111 1.00 0.00 H new ATOM 0 HA LEU A 14 0.447 3.395 -6.931 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.503 6.170 -5.788 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.393 6.003 -7.286 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.460 3.877 -6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.759 4.228 -3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.050 3.959 -4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.627 5.601 -3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.224 5.457 -5.285 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.066 6.802 -5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.585 5.928 -6.878 1.00 0.00 H new ATOM 209 N SER A 15 2.544 5.522 -8.274 1.00 0.00 N ATOM 210 CA SER A 15 3.122 5.987 -9.576 1.00 0.00 C ATOM 211 C SER A 15 3.341 4.826 -10.555 1.00 0.00 C ATOM 212 O SER A 15 3.385 5.019 -11.753 1.00 0.00 O ATOM 213 CB SER A 15 4.430 6.712 -9.268 1.00 0.00 C ATOM 214 OG SER A 15 3.935 7.798 -8.494 1.00 0.00 O ATOM 0 H SER A 15 3.056 5.816 -7.442 1.00 0.00 H new ATOM 0 HA SER A 15 2.422 6.662 -10.069 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.131 6.089 -8.712 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.945 7.044 -10.170 1.00 0.00 H new ATOM 0 HG SER A 15 4.682 8.367 -8.214 1.00 0.00 H new ATOM 220 N TYR A 16 3.467 3.634 -10.034 1.00 0.00 N ATOM 221 CA TYR A 16 3.679 2.436 -10.910 1.00 0.00 C ATOM 222 C TYR A 16 2.317 1.784 -11.163 1.00 0.00 C ATOM 223 O TYR A 16 1.976 1.405 -12.268 1.00 0.00 O ATOM 224 CB TYR A 16 4.589 1.440 -10.198 1.00 0.00 C ATOM 225 CG TYR A 16 4.634 0.084 -10.948 1.00 0.00 C ATOM 226 CD1 TYR A 16 4.626 -0.007 -12.331 1.00 0.00 C ATOM 227 CD2 TYR A 16 4.667 -1.084 -10.222 1.00 0.00 C ATOM 228 CE1 TYR A 16 4.643 -1.236 -12.958 1.00 0.00 C ATOM 229 CE2 TYR A 16 4.682 -2.308 -10.854 1.00 0.00 C ATOM 230 CZ TYR A 16 4.670 -2.405 -12.229 1.00 0.00 C ATOM 231 OH TYR A 16 4.662 -3.636 -12.869 1.00 0.00 O ATOM 0 H TYR A 16 3.432 3.434 -9.034 1.00 0.00 H new ATOM 0 HA TYR A 16 4.141 2.733 -11.852 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.596 1.851 -10.125 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.234 1.283 -9.179 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.606 0.895 -12.925 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.681 -1.041 -9.143 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.635 -1.282 -14.037 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.704 -3.210 -10.260 1.00 0.00 H new ATOM 0 HH TYR A 16 3.812 -3.753 -13.342 1.00 0.00 H new ATOM 241 N VAL A 17 1.579 1.655 -10.106 1.00 0.00 N ATOM 242 CA VAL A 17 0.208 1.043 -10.187 1.00 0.00 C ATOM 243 C VAL A 17 -0.660 1.723 -11.256 1.00 0.00 C ATOM 244 O VAL A 17 -1.500 1.091 -11.864 1.00 0.00 O ATOM 245 CB VAL A 17 -0.508 1.168 -8.821 1.00 0.00 C ATOM 246 CG1 VAL A 17 -1.813 0.405 -8.832 1.00 0.00 C ATOM 247 CG2 VAL A 17 0.391 0.589 -7.760 1.00 0.00 C ATOM 0 H VAL A 17 1.860 1.948 -9.170 1.00 0.00 H new ATOM 0 HA VAL A 17 0.339 -0.005 -10.458 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.720 2.218 -8.620 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.301 0.505 -7.863 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.463 0.807 -9.609 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.617 -0.648 -9.032 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.096 0.668 -6.788 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.589 -0.459 -7.983 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.332 1.139 -7.740 1.00 0.00 H new ATOM 257 N GLN A 18 -0.482 3.002 -11.469 1.00 0.00 N ATOM 258 CA GLN A 18 -1.293 3.694 -12.482 1.00 0.00 C ATOM 259 C GLN A 18 -0.992 3.201 -13.903 1.00 0.00 C ATOM 260 O GLN A 18 -1.805 3.350 -14.789 1.00 0.00 O ATOM 261 CB GLN A 18 -1.024 5.195 -12.302 1.00 0.00 C ATOM 262 CG GLN A 18 0.463 5.643 -12.340 1.00 0.00 C ATOM 263 CD GLN A 18 0.544 7.183 -12.229 1.00 0.00 C ATOM 264 OE1 GLN A 18 1.596 7.754 -12.047 1.00 0.00 O ATOM 265 NE2 GLN A 18 -0.522 7.917 -12.331 1.00 0.00 N ATOM 0 H GLN A 18 0.194 3.587 -10.978 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.353 3.481 -12.344 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.562 5.734 -13.082 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.449 5.506 -11.348 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.014 5.180 -11.521 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.930 5.310 -13.267 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.430 7.479 -12.485 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.451 8.932 -12.257 1.00 0.00 H new ATOM 274 N GLY A 19 0.166 2.625 -14.090 1.00 0.00 N ATOM 275 CA GLY A 19 0.561 2.100 -15.439 1.00 0.00 C ATOM 276 C GLY A 19 1.503 3.084 -16.144 1.00 0.00 C ATOM 277 O GLY A 19 1.417 3.299 -17.335 1.00 0.00 O ATOM 0 H GLY A 19 0.866 2.492 -13.360 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.051 1.133 -15.330 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.329 1.939 -16.048 1.00 0.00 H new ATOM 281 N GLY A 20 2.393 3.664 -15.388 1.00 0.00 N ATOM 282 CA GLY A 20 3.370 4.643 -15.962 1.00 0.00 C ATOM 283 C GLY A 20 4.767 4.359 -15.404 1.00 0.00 C ATOM 284 O GLY A 20 4.993 3.310 -14.830 1.00 0.00 O ATOM 0 H GLY A 20 2.489 3.502 -14.386 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.379 4.568 -17.049 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.068 5.661 -15.715 1.00 0.00 H new ATOM 288 N PRO A 21 5.677 5.288 -15.577 1.00 0.00 N ATOM 289 CA PRO A 21 7.060 5.138 -15.044 1.00 0.00 C ATOM 290 C PRO A 21 7.042 5.236 -13.507 1.00 0.00 C ATOM 291 O PRO A 21 6.554 6.204 -12.955 1.00 0.00 O ATOM 292 CB PRO A 21 7.831 6.265 -15.730 1.00 0.00 C ATOM 293 CG PRO A 21 6.746 7.373 -15.827 1.00 0.00 C ATOM 294 CD PRO A 21 5.500 6.588 -16.292 1.00 0.00 C ATOM 0 HA PRO A 21 7.526 4.174 -15.248 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.693 6.586 -15.146 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.203 5.969 -16.711 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.581 7.863 -14.868 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.024 8.151 -16.539 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.573 7.087 -16.010 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.477 6.460 -17.374 1.00 0.00 H new ATOM 302 N GLY A 22 7.575 4.250 -12.834 1.00 0.00 N ATOM 303 CA GLY A 22 7.581 4.291 -11.348 1.00 0.00 C ATOM 304 C GLY A 22 8.054 2.937 -10.817 1.00 0.00 C ATOM 305 O GLY A 22 8.637 2.180 -11.564 1.00 0.00 O ATOM 0 H GLY A 22 8.004 3.423 -13.250 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.239 5.085 -10.995 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.582 4.515 -10.973 1.00 0.00 H new ATOM 309 N PRO A 23 7.798 2.663 -9.560 1.00 0.00 N ATOM 310 CA PRO A 23 7.063 3.574 -8.649 1.00 0.00 C ATOM 311 C PRO A 23 7.918 4.780 -8.239 1.00 0.00 C ATOM 312 O PRO A 23 7.584 5.902 -8.564 1.00 0.00 O ATOM 313 CB PRO A 23 6.679 2.678 -7.486 1.00 0.00 C ATOM 314 CG PRO A 23 7.823 1.629 -7.416 1.00 0.00 C ATOM 315 CD PRO A 23 8.205 1.401 -8.896 1.00 0.00 C ATOM 0 HA PRO A 23 6.187 4.032 -9.108 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.600 3.243 -6.557 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.713 2.202 -7.653 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.669 1.998 -6.837 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.491 0.706 -6.942 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.273 1.214 -9.010 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.684 0.541 -9.316 1.00 0.00 H new ATOM 323 N SER A 24 8.999 4.497 -7.557 1.00 0.00 N ATOM 324 CA SER A 24 9.937 5.564 -7.066 1.00 0.00 C ATOM 325 C SER A 24 10.976 4.929 -6.146 1.00 0.00 C ATOM 326 O SER A 24 10.804 3.819 -5.675 1.00 0.00 O ATOM 327 CB SER A 24 9.144 6.605 -6.258 1.00 0.00 C ATOM 328 OG SER A 24 8.533 5.757 -5.291 1.00 0.00 O ATOM 0 H SER A 24 9.281 3.548 -7.312 1.00 0.00 H new ATOM 0 HA SER A 24 10.424 6.041 -7.917 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.788 7.358 -5.804 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.413 7.136 -6.867 1.00 0.00 H new ATOM 0 HG SER A 24 7.674 5.434 -5.635 1.00 0.00 H new ATOM 334 N GLY A 25 12.036 5.649 -5.901 1.00 0.00 N ATOM 335 CA GLY A 25 13.089 5.104 -4.997 1.00 0.00 C ATOM 336 C GLY A 25 12.529 5.152 -3.566 1.00 0.00 C ATOM 337 O GLY A 25 13.163 4.645 -2.663 1.00 0.00 O ATOM 0 H GLY A 25 12.218 6.578 -6.281 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.344 4.082 -5.276 1.00 0.00 H new ATOM 0 HA3 GLY A 25 14.003 5.693 -5.072 1.00 0.00 H new ATOM 341 N GLN A 26 11.374 5.758 -3.398 1.00 0.00 N ATOM 342 CA GLN A 26 10.774 5.837 -2.023 1.00 0.00 C ATOM 343 C GLN A 26 9.715 4.738 -1.866 1.00 0.00 C ATOM 344 O GLN A 26 9.328 4.434 -0.756 1.00 0.00 O ATOM 345 CB GLN A 26 10.134 7.235 -1.812 1.00 0.00 C ATOM 346 CG GLN A 26 11.175 8.186 -1.184 1.00 0.00 C ATOM 347 CD GLN A 26 11.458 7.648 0.224 1.00 0.00 C ATOM 348 OE1 GLN A 26 10.552 7.553 1.024 1.00 0.00 O ATOM 349 NE2 GLN A 26 12.664 7.282 0.558 1.00 0.00 N ATOM 0 H GLN A 26 10.828 6.195 -4.140 1.00 0.00 H new ATOM 0 HA GLN A 26 11.552 5.691 -1.274 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.787 7.636 -2.764 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.262 7.154 -1.164 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.087 8.212 -1.780 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.793 9.206 -1.141 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.426 7.362 -0.115 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.845 6.916 1.492 1.00 0.00 H new ATOM 358 N CYS A 27 9.262 4.157 -2.948 1.00 0.00 N ATOM 359 CA CYS A 27 8.236 3.073 -2.821 1.00 0.00 C ATOM 360 C CYS A 27 8.813 1.936 -1.966 1.00 0.00 C ATOM 361 O CYS A 27 8.136 1.390 -1.123 1.00 0.00 O ATOM 362 CB CYS A 27 7.867 2.569 -4.218 1.00 0.00 C ATOM 363 SG CYS A 27 6.749 1.146 -4.310 1.00 0.00 S ATOM 0 H CYS A 27 9.551 4.380 -3.900 1.00 0.00 H new ATOM 0 HA CYS A 27 7.336 3.453 -2.337 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.412 3.394 -4.766 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.789 2.310 -4.739 1.00 0.00 H new ATOM 368 N CYS A 28 10.064 1.612 -2.166 1.00 0.00 N ATOM 369 CA CYS A 28 10.647 0.502 -1.344 1.00 0.00 C ATOM 370 C CYS A 28 11.041 1.002 0.035 1.00 0.00 C ATOM 371 O CYS A 28 10.537 0.532 1.021 1.00 0.00 O ATOM 372 CB CYS A 28 11.839 -0.072 -2.104 1.00 0.00 C ATOM 373 SG CYS A 28 11.273 -1.211 -3.376 1.00 0.00 S ATOM 0 H CYS A 28 10.693 2.049 -2.839 1.00 0.00 H new ATOM 0 HA CYS A 28 9.908 -0.284 -1.187 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.413 0.736 -2.558 1.00 0.00 H new ATOM 0 HB3 CYS A 28 12.506 -0.588 -1.413 1.00 0.00 H new ATOM 378 N ASP A 29 11.910 1.947 0.112 1.00 0.00 N ATOM 379 CA ASP A 29 12.353 2.512 1.417 1.00 0.00 C ATOM 380 C ASP A 29 11.150 2.984 2.245 1.00 0.00 C ATOM 381 O ASP A 29 11.035 2.698 3.425 1.00 0.00 O ATOM 382 CB ASP A 29 13.228 3.713 1.111 1.00 0.00 C ATOM 383 CG ASP A 29 13.860 4.228 2.387 1.00 0.00 C ATOM 384 OD1 ASP A 29 14.616 3.466 2.961 1.00 0.00 O ATOM 385 OD2 ASP A 29 13.528 5.363 2.693 1.00 0.00 O ATOM 0 H ASP A 29 12.355 2.374 -0.701 1.00 0.00 H new ATOM 0 HA ASP A 29 12.886 1.751 1.986 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.003 3.436 0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.632 4.499 0.647 1.00 0.00 H new ATOM 390 N GLY A 30 10.294 3.691 1.562 1.00 0.00 N ATOM 391 CA GLY A 30 9.072 4.253 2.195 1.00 0.00 C ATOM 392 C GLY A 30 8.110 3.186 2.696 1.00 0.00 C ATOM 393 O GLY A 30 7.700 3.185 3.844 1.00 0.00 O ATOM 0 H GLY A 30 10.394 3.907 0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.364 4.890 3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.557 4.888 1.474 1.00 0.00 H new ATOM 397 N VAL A 31 7.769 2.259 1.846 1.00 0.00 N ATOM 398 CA VAL A 31 6.815 1.198 2.277 1.00 0.00 C ATOM 399 C VAL A 31 7.499 0.140 3.164 1.00 0.00 C ATOM 400 O VAL A 31 6.862 -0.385 4.061 1.00 0.00 O ATOM 401 CB VAL A 31 6.204 0.650 0.956 1.00 0.00 C ATOM 402 CG1 VAL A 31 5.071 -0.301 1.242 1.00 0.00 C ATOM 403 CG2 VAL A 31 5.590 1.799 0.192 1.00 0.00 C ATOM 0 H VAL A 31 8.103 2.189 0.885 1.00 0.00 H new ATOM 0 HA VAL A 31 6.022 1.574 2.923 1.00 0.00 H new ATOM 0 HB VAL A 31 6.999 0.150 0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.660 -0.671 0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.440 -1.140 1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.292 0.219 1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.158 1.428 -0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.810 2.262 0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.359 2.537 -0.035 1.00 0.00 H new ATOM 413 N LYS A 32 8.753 -0.163 2.917 1.00 0.00 N ATOM 414 CA LYS A 32 9.519 -1.168 3.721 1.00 0.00 C ATOM 415 C LYS A 32 9.437 -0.667 5.174 1.00 0.00 C ATOM 416 O LYS A 32 9.189 -1.426 6.093 1.00 0.00 O ATOM 417 CB LYS A 32 10.970 -1.166 3.185 1.00 0.00 C ATOM 418 CG LYS A 32 11.902 -2.191 3.845 1.00 0.00 C ATOM 419 CD LYS A 32 13.330 -1.903 3.279 1.00 0.00 C ATOM 420 CE LYS A 32 14.374 -2.894 3.811 1.00 0.00 C ATOM 421 NZ LYS A 32 14.124 -4.261 3.247 1.00 0.00 N ATOM 0 H LYS A 32 9.294 0.261 2.164 1.00 0.00 H new ATOM 0 HA LYS A 32 9.138 -2.187 3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.946 -1.356 2.112 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.392 -0.171 3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.885 -2.091 4.930 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.589 -3.209 3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.305 -1.954 2.190 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.626 -0.888 3.544 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.375 -2.559 3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.332 -2.928 4.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.902 -4.896 3.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.228 -4.633 3.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.069 -4.204 2.210 1.00 0.00 H new ATOM 435 N ASN A 33 9.628 0.623 5.335 1.00 0.00 N ATOM 436 CA ASN A 33 9.566 1.235 6.707 1.00 0.00 C ATOM 437 C ASN A 33 8.149 1.101 7.245 1.00 0.00 C ATOM 438 O ASN A 33 7.932 0.661 8.358 1.00 0.00 O ATOM 439 CB ASN A 33 9.912 2.718 6.653 1.00 0.00 C ATOM 440 CG ASN A 33 11.383 2.863 6.968 1.00 0.00 C ATOM 441 OD1 ASN A 33 11.800 2.736 8.099 1.00 0.00 O ATOM 442 ND2 ASN A 33 12.194 3.123 5.993 1.00 0.00 N ATOM 0 H ASN A 33 9.824 1.279 4.579 1.00 0.00 H new ATOM 0 HA ASN A 33 10.281 0.719 7.348 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.691 3.126 5.667 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.311 3.276 7.371 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.193 3.223 6.173 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.834 3.228 5.044 1.00 0.00 H new ATOM 449 N LEU A 34 7.193 1.461 6.441 1.00 0.00 N ATOM 450 CA LEU A 34 5.752 1.378 6.836 1.00 0.00 C ATOM 451 C LEU A 34 5.423 -0.002 7.417 1.00 0.00 C ATOM 452 O LEU A 34 5.042 -0.146 8.560 1.00 0.00 O ATOM 453 CB LEU A 34 4.878 1.642 5.560 1.00 0.00 C ATOM 454 CG LEU A 34 3.304 1.617 5.739 1.00 0.00 C ATOM 455 CD1 LEU A 34 2.681 1.812 4.378 1.00 0.00 C ATOM 456 CD2 LEU A 34 2.739 0.330 6.293 1.00 0.00 C ATOM 0 H LEU A 34 7.349 1.820 5.499 1.00 0.00 H new ATOM 0 HA LEU A 34 5.542 2.122 7.604 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.156 2.616 5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.144 0.898 4.809 1.00 0.00 H new ATOM 0 HG LEU A 34 3.074 2.402 6.459 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.595 1.799 4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.999 2.770 3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.998 1.008 3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.656 0.415 6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.988 -0.494 5.624 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.166 0.140 7.278 1.00 0.00 H new ATOM 468 N HIS A 35 5.590 -1.000 6.594 1.00 0.00 N ATOM 469 CA HIS A 35 5.301 -2.408 7.006 1.00 0.00 C ATOM 470 C HIS A 35 5.948 -2.736 8.360 1.00 0.00 C ATOM 471 O HIS A 35 5.284 -3.195 9.271 1.00 0.00 O ATOM 472 CB HIS A 35 5.837 -3.332 5.873 1.00 0.00 C ATOM 473 CG HIS A 35 5.223 -4.738 5.937 1.00 0.00 C ATOM 474 ND1 HIS A 35 5.612 -5.774 5.267 1.00 0.00 N ATOM 475 CD2 HIS A 35 4.160 -5.209 6.682 1.00 0.00 C ATOM 476 CE1 HIS A 35 4.867 -6.794 5.566 1.00 0.00 C ATOM 477 NE2 HIS A 35 3.950 -6.485 6.445 1.00 0.00 N ATOM 0 H HIS A 35 5.921 -0.900 5.634 1.00 0.00 H new ATOM 0 HA HIS A 35 4.230 -2.559 7.142 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.615 -2.884 4.905 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.922 -3.407 5.949 1.00 0.00 H new ATOM 0 HD1 HIS A 35 6.387 -5.787 4.604 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.579 -4.610 7.367 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.990 -7.779 5.140 1.00 0.00 H new ATOM 485 N ASN A 36 7.233 -2.487 8.427 1.00 0.00 N ATOM 486 CA ASN A 36 8.012 -2.749 9.678 1.00 0.00 C ATOM 487 C ASN A 36 7.390 -2.004 10.866 1.00 0.00 C ATOM 488 O ASN A 36 7.327 -2.519 11.962 1.00 0.00 O ATOM 489 CB ASN A 36 9.468 -2.251 9.508 1.00 0.00 C ATOM 490 CG ASN A 36 10.298 -2.762 10.694 1.00 0.00 C ATOM 491 OD1 ASN A 36 10.313 -3.935 10.994 1.00 0.00 O ATOM 492 ND2 ASN A 36 11.005 -1.938 11.407 1.00 0.00 N ATOM 0 H ASN A 36 7.783 -2.108 7.656 1.00 0.00 H new ATOM 0 HA ASN A 36 7.996 -3.823 9.865 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.885 -2.614 8.569 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.494 -1.162 9.468 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.552 -2.285 12.195 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.013 -0.944 11.179 1.00 0.00 H new ATOM 499 N GLN A 37 6.961 -0.802 10.606 1.00 0.00 N ATOM 500 CA GLN A 37 6.337 0.053 11.647 1.00 0.00 C ATOM 501 C GLN A 37 4.975 -0.521 12.083 1.00 0.00 C ATOM 502 O GLN A 37 4.688 -0.655 13.258 1.00 0.00 O ATOM 503 CB GLN A 37 6.235 1.434 10.980 1.00 0.00 C ATOM 504 CG GLN A 37 5.998 2.556 11.961 1.00 0.00 C ATOM 505 CD GLN A 37 7.259 2.779 12.799 1.00 0.00 C ATOM 506 OE1 GLN A 37 8.360 2.926 12.309 1.00 0.00 O ATOM 507 NE2 GLN A 37 7.154 2.816 14.085 1.00 0.00 N ATOM 0 H GLN A 37 7.020 -0.366 9.686 1.00 0.00 H new ATOM 0 HA GLN A 37 6.912 0.107 12.572 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.154 1.632 10.428 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.423 1.419 10.253 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.737 3.470 11.428 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.156 2.314 12.610 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.242 2.696 14.526 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.983 2.966 14.660 1.00 0.00 H new ATOM 516 N ALA A 38 4.170 -0.855 11.118 1.00 0.00 N ATOM 517 CA ALA A 38 2.814 -1.422 11.399 1.00 0.00 C ATOM 518 C ALA A 38 2.905 -2.894 11.834 1.00 0.00 C ATOM 519 O ALA A 38 2.507 -3.790 11.104 1.00 0.00 O ATOM 520 CB ALA A 38 2.004 -1.300 10.131 1.00 0.00 C ATOM 0 H ALA A 38 4.393 -0.760 10.127 1.00 0.00 H new ATOM 0 HA ALA A 38 2.343 -0.876 12.217 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.005 -1.704 10.297 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.928 -0.250 9.847 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.493 -1.857 9.332 1.00 0.00 H new ATOM 526 N ARG A 39 3.410 -3.127 13.022 1.00 0.00 N ATOM 527 CA ARG A 39 3.531 -4.552 13.494 1.00 0.00 C ATOM 528 C ARG A 39 2.338 -4.982 14.349 1.00 0.00 C ATOM 529 O ARG A 39 2.312 -6.095 14.850 1.00 0.00 O ATOM 530 CB ARG A 39 4.776 -4.746 14.362 1.00 0.00 C ATOM 531 CG ARG A 39 5.243 -6.231 14.174 1.00 0.00 C ATOM 532 CD ARG A 39 5.687 -6.934 15.479 1.00 0.00 C ATOM 533 NE ARG A 39 4.624 -6.786 16.535 1.00 0.00 N ATOM 534 CZ ARG A 39 5.011 -6.813 17.780 1.00 0.00 C ATOM 535 NH1 ARG A 39 5.694 -5.792 18.206 1.00 0.00 N ATOM 536 NH2 ARG A 39 4.712 -7.846 18.514 1.00 0.00 N ATOM 0 H ARG A 39 3.738 -2.415 13.675 1.00 0.00 H new ATOM 0 HA ARG A 39 3.583 -5.153 12.586 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.564 -4.054 14.065 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.551 -4.543 15.409 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.428 -6.801 13.728 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.071 -6.251 13.465 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.874 -7.990 15.286 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.624 -6.503 15.832 1.00 0.00 H new ATOM 0 HE ARG A 39 3.642 -6.669 16.287 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.903 -5.019 17.574 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.020 -5.764 19.172 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.182 -8.620 18.114 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.008 -7.881 19.489 1.00 0.00 H new ATOM 550 N SER A 40 1.408 -4.088 14.512 1.00 0.00 N ATOM 551 CA SER A 40 0.195 -4.412 15.332 1.00 0.00 C ATOM 552 C SER A 40 -1.049 -4.462 14.422 1.00 0.00 C ATOM 553 O SER A 40 -1.067 -3.844 13.371 1.00 0.00 O ATOM 554 CB SER A 40 0.052 -3.315 16.411 1.00 0.00 C ATOM 555 OG SER A 40 1.304 -3.313 17.098 1.00 0.00 O ATOM 0 H SER A 40 1.428 -3.148 14.117 1.00 0.00 H new ATOM 0 HA SER A 40 0.294 -5.386 15.810 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.154 -2.343 15.962 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.772 -3.534 17.091 1.00 0.00 H new ATOM 0 HG SER A 40 1.289 -2.633 17.804 1.00 0.00 H new ATOM 561 N GLN A 41 -2.086 -5.148 14.831 1.00 0.00 N ATOM 562 CA GLN A 41 -3.300 -5.232 13.988 1.00 0.00 C ATOM 563 C GLN A 41 -4.029 -3.899 13.843 1.00 0.00 C ATOM 564 O GLN A 41 -4.891 -3.757 12.995 1.00 0.00 O ATOM 565 CB GLN A 41 -4.194 -6.283 14.607 1.00 0.00 C ATOM 566 CG GLN A 41 -3.592 -7.683 14.376 1.00 0.00 C ATOM 567 CD GLN A 41 -4.638 -8.719 14.791 1.00 0.00 C ATOM 568 OE1 GLN A 41 -5.059 -8.767 15.927 1.00 0.00 O ATOM 569 NE2 GLN A 41 -5.104 -9.574 13.929 1.00 0.00 N ATOM 0 H GLN A 41 -2.137 -5.652 15.716 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.014 -5.502 12.972 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.304 -6.096 15.675 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.191 -6.229 14.169 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.321 -7.813 13.328 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.680 -7.807 14.960 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.770 -9.560 12.965 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.803 -10.259 14.217 1.00 0.00 H new ATOM 578 N SER A 42 -3.677 -2.954 14.669 1.00 0.00 N ATOM 579 CA SER A 42 -4.336 -1.621 14.598 1.00 0.00 C ATOM 580 C SER A 42 -3.589 -0.742 13.589 1.00 0.00 C ATOM 581 O SER A 42 -4.205 0.138 13.026 1.00 0.00 O ATOM 582 CB SER A 42 -4.303 -0.990 16.003 1.00 0.00 C ATOM 583 OG SER A 42 -5.086 0.194 15.926 1.00 0.00 O ATOM 0 H SER A 42 -2.962 -3.047 15.390 1.00 0.00 H new ATOM 0 HA SER A 42 -5.371 -1.716 14.270 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.707 -1.676 16.747 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.280 -0.761 16.303 1.00 0.00 H new ATOM 0 HG SER A 42 -5.098 0.635 16.801 1.00 0.00 H new ATOM 589 N ASP A 43 -2.317 -0.991 13.375 1.00 0.00 N ATOM 590 CA ASP A 43 -1.570 -0.137 12.401 1.00 0.00 C ATOM 591 C ASP A 43 -1.875 -0.602 10.964 1.00 0.00 C ATOM 592 O ASP A 43 -1.766 0.168 10.022 1.00 0.00 O ATOM 593 CB ASP A 43 -0.054 -0.225 12.726 1.00 0.00 C ATOM 594 CG ASP A 43 0.555 1.170 12.428 1.00 0.00 C ATOM 595 OD1 ASP A 43 0.132 2.075 13.130 1.00 0.00 O ATOM 596 OD2 ASP A 43 1.387 1.277 11.547 1.00 0.00 O ATOM 0 H ASP A 43 -1.776 -1.731 13.822 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.882 0.904 12.482 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.101 -0.499 13.770 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.426 -0.993 12.120 1.00 0.00 H new ATOM 601 N ARG A 44 -2.289 -1.836 10.842 1.00 0.00 N ATOM 602 CA ARG A 44 -2.618 -2.394 9.497 1.00 0.00 C ATOM 603 C ARG A 44 -3.987 -1.877 9.077 1.00 0.00 C ATOM 604 O ARG A 44 -4.138 -1.444 7.954 1.00 0.00 O ATOM 605 CB ARG A 44 -2.630 -3.898 9.574 1.00 0.00 C ATOM 606 CG ARG A 44 -1.180 -4.389 9.687 1.00 0.00 C ATOM 607 CD ARG A 44 -1.269 -5.877 9.907 1.00 0.00 C ATOM 608 NE ARG A 44 -0.070 -6.533 9.305 1.00 0.00 N ATOM 609 CZ ARG A 44 0.831 -6.997 10.110 1.00 0.00 C ATOM 610 NH1 ARG A 44 0.505 -8.046 10.805 1.00 0.00 N ATOM 611 NH2 ARG A 44 1.979 -6.394 10.187 1.00 0.00 N ATOM 0 H ARG A 44 -2.414 -2.484 11.620 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.873 -2.085 8.764 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.211 -4.229 10.435 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.105 -4.319 8.688 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.618 -4.160 8.782 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.665 -3.901 10.514 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.322 -6.097 10.973 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.179 -6.270 9.455 1.00 0.00 H new ATOM 0 HE ARG A 44 0.035 -6.613 8.294 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.421 -8.460 10.700 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.175 -8.455 11.456 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.160 -5.567 9.618 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.699 -6.747 10.817 1.00 0.00 H new ATOM 625 N GLN A 45 -4.946 -1.912 9.965 1.00 0.00 N ATOM 626 CA GLN A 45 -6.298 -1.426 9.633 1.00 0.00 C ATOM 627 C GLN A 45 -6.237 0.048 9.216 1.00 0.00 C ATOM 628 O GLN A 45 -6.911 0.458 8.291 1.00 0.00 O ATOM 629 CB GLN A 45 -7.086 -1.701 10.883 1.00 0.00 C ATOM 630 CG GLN A 45 -7.349 -3.212 10.915 1.00 0.00 C ATOM 631 CD GLN A 45 -8.178 -3.554 12.131 1.00 0.00 C ATOM 632 OE1 GLN A 45 -9.298 -3.118 12.280 1.00 0.00 O ATOM 633 NE2 GLN A 45 -7.681 -4.333 13.037 1.00 0.00 N ATOM 0 H GLN A 45 -4.838 -2.263 10.917 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.768 -1.914 8.779 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.532 -1.386 11.767 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.024 -1.145 10.880 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.870 -3.520 10.008 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.405 -3.756 10.941 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.739 -4.708 12.926 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.231 -4.572 13.862 1.00 0.00 H new ATOM 642 N SER A 46 -5.415 0.807 9.889 1.00 0.00 N ATOM 643 CA SER A 46 -5.315 2.254 9.526 1.00 0.00 C ATOM 644 C SER A 46 -4.595 2.387 8.175 1.00 0.00 C ATOM 645 O SER A 46 -5.142 2.962 7.254 1.00 0.00 O ATOM 646 CB SER A 46 -4.562 2.955 10.642 1.00 0.00 C ATOM 647 OG SER A 46 -5.331 2.663 11.809 1.00 0.00 O ATOM 0 H SER A 46 -4.820 0.499 10.658 1.00 0.00 H new ATOM 0 HA SER A 46 -6.298 2.713 9.418 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.542 2.582 10.732 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.494 4.029 10.466 1.00 0.00 H new ATOM 0 HG SER A 46 -4.991 1.845 12.229 1.00 0.00 H new ATOM 653 N ALA A 47 -3.403 1.850 8.065 1.00 0.00 N ATOM 654 CA ALA A 47 -2.643 1.940 6.770 1.00 0.00 C ATOM 655 C ALA A 47 -3.508 1.412 5.615 1.00 0.00 C ATOM 656 O ALA A 47 -3.498 1.933 4.510 1.00 0.00 O ATOM 657 CB ALA A 47 -1.390 1.110 6.884 1.00 0.00 C ATOM 0 H ALA A 47 -2.921 1.353 8.814 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.385 2.980 6.569 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.830 1.167 5.951 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.775 1.489 7.700 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.658 0.072 7.084 1.00 0.00 H new ATOM 663 N CYS A 48 -4.253 0.370 5.875 1.00 0.00 N ATOM 664 CA CYS A 48 -5.134 -0.209 4.817 1.00 0.00 C ATOM 665 C CYS A 48 -6.052 0.893 4.260 1.00 0.00 C ATOM 666 O CYS A 48 -6.136 1.087 3.057 1.00 0.00 O ATOM 667 CB CYS A 48 -5.970 -1.318 5.428 1.00 0.00 C ATOM 668 SG CYS A 48 -7.158 -2.127 4.335 1.00 0.00 S ATOM 0 H CYS A 48 -4.290 -0.106 6.776 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.529 -0.613 4.005 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.294 -2.078 5.820 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.514 -0.906 6.278 1.00 0.00 H new ATOM 673 N ASN A 49 -6.708 1.582 5.168 1.00 0.00 N ATOM 674 CA ASN A 49 -7.629 2.686 4.747 1.00 0.00 C ATOM 675 C ASN A 49 -6.912 3.658 3.817 1.00 0.00 C ATOM 676 O ASN A 49 -7.523 4.140 2.890 1.00 0.00 O ATOM 677 CB ASN A 49 -8.156 3.468 5.976 1.00 0.00 C ATOM 678 CG ASN A 49 -9.332 2.742 6.649 1.00 0.00 C ATOM 679 OD1 ASN A 49 -9.867 1.763 6.173 1.00 0.00 O ATOM 680 ND2 ASN A 49 -9.780 3.206 7.779 1.00 0.00 N ATOM 0 H ASN A 49 -6.645 1.428 6.174 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.469 2.229 4.224 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.349 3.600 6.697 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.472 4.464 5.666 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.564 2.748 8.244 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.347 4.028 8.200 1.00 0.00 H new ATOM 687 N CYS A 50 -5.659 3.917 4.079 1.00 0.00 N ATOM 688 CA CYS A 50 -4.880 4.859 3.209 1.00 0.00 C ATOM 689 C CYS A 50 -4.965 4.384 1.742 1.00 0.00 C ATOM 690 O CYS A 50 -5.462 5.060 0.856 1.00 0.00 O ATOM 691 CB CYS A 50 -3.420 4.863 3.680 1.00 0.00 C ATOM 692 SG CYS A 50 -3.050 5.358 5.374 1.00 0.00 S ATOM 0 H CYS A 50 -5.136 3.518 4.859 1.00 0.00 H new ATOM 0 HA CYS A 50 -5.288 5.867 3.277 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.025 3.857 3.537 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.861 5.522 3.015 1.00 0.00 H new ATOM 697 N LEU A 51 -4.498 3.188 1.522 1.00 0.00 N ATOM 698 CA LEU A 51 -4.509 2.594 0.149 1.00 0.00 C ATOM 699 C LEU A 51 -5.930 2.460 -0.384 1.00 0.00 C ATOM 700 O LEU A 51 -6.209 2.914 -1.474 1.00 0.00 O ATOM 701 CB LEU A 51 -3.891 1.199 0.191 1.00 0.00 C ATOM 702 CG LEU A 51 -2.380 1.252 0.454 1.00 0.00 C ATOM 703 CD1 LEU A 51 -1.942 -0.075 1.018 1.00 0.00 C ATOM 704 CD2 LEU A 51 -1.675 1.475 -0.861 1.00 0.00 C ATOM 0 H LEU A 51 -4.103 2.585 2.243 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.939 3.256 -0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.375 0.610 0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.078 0.690 -0.755 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.143 2.054 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.869 -0.052 1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.474 -0.268 1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.166 -0.866 0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.599 1.516 -0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.906 0.655 -1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.010 2.415 -1.299 1.00 0.00 H new ATOM 716 N LYS A 52 -6.778 1.835 0.401 1.00 0.00 N ATOM 717 CA LYS A 52 -8.205 1.627 0.003 1.00 0.00 C ATOM 718 C LYS A 52 -8.855 2.953 -0.382 1.00 0.00 C ATOM 719 O LYS A 52 -9.394 3.083 -1.465 1.00 0.00 O ATOM 720 CB LYS A 52 -9.011 0.995 1.179 1.00 0.00 C ATOM 721 CG LYS A 52 -8.533 -0.463 1.439 1.00 0.00 C ATOM 722 CD LYS A 52 -9.394 -1.144 2.547 1.00 0.00 C ATOM 723 CE LYS A 52 -10.829 -1.488 2.080 1.00 0.00 C ATOM 724 NZ LYS A 52 -11.640 -1.981 3.249 1.00 0.00 N ATOM 0 H LYS A 52 -6.535 1.455 1.316 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.217 0.954 -0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.882 1.594 2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.075 1.000 0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.598 -1.041 0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.485 -0.458 1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.897 -2.057 2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.449 -0.483 3.412 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.300 -0.607 1.644 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.795 -2.250 1.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.603 -2.211 2.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.194 -2.832 3.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.684 -1.241 3.978 1.00 0.00 H new ATOM 738 N GLY A 53 -8.781 3.911 0.503 1.00 0.00 N ATOM 739 CA GLY A 53 -9.380 5.256 0.250 1.00 0.00 C ATOM 740 C GLY A 53 -8.815 5.819 -1.048 1.00 0.00 C ATOM 741 O GLY A 53 -9.531 6.377 -1.856 1.00 0.00 O ATOM 0 H GLY A 53 -8.322 3.817 1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.465 5.178 0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.158 5.928 1.079 1.00 0.00 H new ATOM 745 N ILE A 54 -7.536 5.650 -1.226 1.00 0.00 N ATOM 746 CA ILE A 54 -6.877 6.161 -2.461 1.00 0.00 C ATOM 747 C ILE A 54 -7.354 5.410 -3.712 1.00 0.00 C ATOM 748 O ILE A 54 -7.948 5.994 -4.594 1.00 0.00 O ATOM 749 CB ILE A 54 -5.347 6.013 -2.219 1.00 0.00 C ATOM 750 CG1 ILE A 54 -4.903 7.130 -1.235 1.00 0.00 C ATOM 751 CG2 ILE A 54 -4.588 6.095 -3.521 1.00 0.00 C ATOM 752 CD1 ILE A 54 -3.418 6.965 -0.803 1.00 0.00 C ATOM 0 H ILE A 54 -6.916 5.179 -0.568 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.136 7.203 -2.651 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.128 5.037 -1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.038 8.104 -1.706 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.542 7.111 -0.352 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.521 5.989 -3.327 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.917 5.296 -4.185 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.777 7.059 -3.992 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.148 7.766 -0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.288 6.003 -0.308 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.776 7.010 -1.683 1.00 0.00 H new ATOM 764 N ALA A 55 -7.085 4.138 -3.757 1.00 0.00 N ATOM 765 CA ALA A 55 -7.485 3.281 -4.913 1.00 0.00 C ATOM 766 C ALA A 55 -8.935 3.582 -5.307 1.00 0.00 C ATOM 767 O ALA A 55 -9.249 3.773 -6.461 1.00 0.00 O ATOM 768 CB ALA A 55 -7.348 1.840 -4.498 1.00 0.00 C ATOM 0 H ALA A 55 -6.589 3.638 -3.019 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.847 3.484 -5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.635 1.194 -5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.313 1.638 -4.222 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.996 1.644 -3.644 1.00 0.00 H new ATOM 774 N ARG A 56 -9.787 3.632 -4.323 1.00 0.00 N ATOM 775 CA ARG A 56 -11.232 3.914 -4.563 1.00 0.00 C ATOM 776 C ARG A 56 -11.462 5.214 -5.352 1.00 0.00 C ATOM 777 O ARG A 56 -12.449 5.334 -6.049 1.00 0.00 O ATOM 778 CB ARG A 56 -11.858 3.944 -3.163 1.00 0.00 C ATOM 779 CG ARG A 56 -13.373 4.120 -3.224 1.00 0.00 C ATOM 780 CD ARG A 56 -13.885 4.119 -1.777 1.00 0.00 C ATOM 781 NE ARG A 56 -15.340 4.444 -1.823 1.00 0.00 N ATOM 782 CZ ARG A 56 -16.213 3.657 -1.283 1.00 0.00 C ATOM 783 NH1 ARG A 56 -16.411 3.776 -0.007 1.00 0.00 N ATOM 784 NH2 ARG A 56 -16.820 2.813 -2.063 1.00 0.00 N ATOM 0 H ARG A 56 -9.540 3.487 -3.344 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.694 3.154 -5.193 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.620 3.019 -2.638 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.420 4.759 -2.586 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -13.633 5.053 -3.724 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -13.832 3.313 -3.796 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.723 3.146 -1.312 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.346 4.853 -1.178 1.00 0.00 H new ATOM 0 HE ARG A 56 -15.651 5.298 -2.286 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -15.888 4.469 0.528 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -17.090 3.176 0.462 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.600 2.790 -3.059 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.516 2.174 -1.679 1.00 0.00 H new ATOM 798 N GLY A 57 -10.565 6.149 -5.203 1.00 0.00 N ATOM 799 CA GLY A 57 -10.690 7.450 -5.924 1.00 0.00 C ATOM 800 C GLY A 57 -10.239 7.306 -7.379 1.00 0.00 C ATOM 801 O GLY A 57 -10.560 8.141 -8.203 1.00 0.00 O ATOM 0 H GLY A 57 -9.742 6.068 -4.606 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -11.724 7.792 -5.891 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.087 8.208 -5.424 1.00 0.00 H new ATOM 805 N ILE A 58 -9.501 6.269 -7.683 1.00 0.00 N ATOM 806 CA ILE A 58 -9.030 6.077 -9.093 1.00 0.00 C ATOM 807 C ILE A 58 -10.194 5.424 -9.867 1.00 0.00 C ATOM 808 O ILE A 58 -11.118 4.912 -9.267 1.00 0.00 O ATOM 809 CB ILE A 58 -7.768 5.141 -9.110 1.00 0.00 C ATOM 810 CG1 ILE A 58 -6.736 5.619 -8.025 1.00 0.00 C ATOM 811 CG2 ILE A 58 -7.138 5.180 -10.487 1.00 0.00 C ATOM 812 CD1 ILE A 58 -5.537 4.642 -7.904 1.00 0.00 C ATOM 0 H ILE A 58 -9.204 5.550 -7.023 1.00 0.00 H new ATOM 0 HA ILE A 58 -8.747 7.026 -9.549 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.066 4.118 -8.880 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.371 6.613 -8.283 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.235 5.703 -7.060 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.262 4.532 -10.505 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.860 4.834 -11.227 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.839 6.202 -10.721 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.846 5.007 -7.144 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.900 3.654 -7.620 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.022 4.578 -8.862 1.00 0.00 H new ATOM 824 N HIS A 59 -10.123 5.460 -11.175 1.00 0.00 N ATOM 825 CA HIS A 59 -11.218 4.847 -11.993 1.00 0.00 C ATOM 826 C HIS A 59 -10.837 3.426 -12.415 1.00 0.00 C ATOM 827 O HIS A 59 -11.555 2.493 -12.120 1.00 0.00 O ATOM 828 CB HIS A 59 -11.473 5.676 -13.268 1.00 0.00 C ATOM 829 CG HIS A 59 -12.683 5.116 -14.048 1.00 0.00 C ATOM 830 ND1 HIS A 59 -13.114 3.892 -14.053 1.00 0.00 N ATOM 831 CD2 HIS A 59 -13.551 5.776 -14.900 1.00 0.00 C ATOM 832 CE1 HIS A 59 -14.147 3.793 -14.830 1.00 0.00 C ATOM 833 NE2 HIS A 59 -14.453 4.941 -15.377 1.00 0.00 N ATOM 0 H HIS A 59 -9.363 5.882 -11.708 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.118 4.827 -11.378 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -11.656 6.717 -13.001 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -10.586 5.661 -13.902 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -13.497 6.828 -15.140 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -14.689 2.875 -15.004 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -15.215 5.144 -16.024 1.00 0.00 H new ATOM 841 N ASN A 60 -9.747 3.280 -13.118 1.00 0.00 N ATOM 842 CA ASN A 60 -9.295 1.925 -13.578 1.00 0.00 C ATOM 843 C ASN A 60 -7.773 1.814 -13.386 1.00 0.00 C ATOM 844 O ASN A 60 -7.004 1.934 -14.320 1.00 0.00 O ATOM 845 CB ASN A 60 -9.658 1.764 -15.065 1.00 0.00 C ATOM 846 CG ASN A 60 -9.359 0.333 -15.539 1.00 0.00 C ATOM 847 OD1 ASN A 60 -8.241 -0.128 -15.597 1.00 0.00 O ATOM 848 ND2 ASN A 60 -10.345 -0.433 -15.901 1.00 0.00 N ATOM 0 H ASN A 60 -9.139 4.049 -13.399 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.784 1.141 -13.000 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.714 1.990 -15.214 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.092 2.478 -15.663 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.161 -1.385 -16.219 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.302 -0.082 -15.867 1.00 0.00 H new ATOM 855 N LEU A 61 -7.339 1.629 -12.173 1.00 0.00 N ATOM 856 CA LEU A 61 -5.903 1.502 -11.872 1.00 0.00 C ATOM 857 C LEU A 61 -5.402 0.148 -12.411 1.00 0.00 C ATOM 858 O LEU A 61 -6.082 -0.536 -13.151 1.00 0.00 O ATOM 859 CB LEU A 61 -5.823 1.628 -10.347 1.00 0.00 C ATOM 860 CG LEU A 61 -6.629 0.500 -9.606 1.00 0.00 C ATOM 861 CD1 LEU A 61 -5.856 -0.781 -9.402 1.00 0.00 C ATOM 862 CD2 LEU A 61 -7.133 0.995 -8.271 1.00 0.00 C ATOM 0 H LEU A 61 -7.947 1.559 -11.357 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.269 2.255 -12.340 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.779 1.587 -10.037 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.207 2.602 -10.046 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.463 0.262 -10.267 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.484 -1.506 -8.884 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.558 -1.184 -10.370 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.967 -0.578 -8.804 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.688 0.199 -7.774 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.288 1.290 -7.650 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.788 1.853 -8.425 1.00 0.00 H new ATOM 874 N ASN A 62 -4.219 -0.242 -12.015 1.00 0.00 N ATOM 875 CA ASN A 62 -3.667 -1.548 -12.495 1.00 0.00 C ATOM 876 C ASN A 62 -3.422 -2.487 -11.311 1.00 0.00 C ATOM 877 O ASN A 62 -2.724 -2.114 -10.388 1.00 0.00 O ATOM 878 CB ASN A 62 -2.367 -1.249 -13.213 1.00 0.00 C ATOM 879 CG ASN A 62 -1.829 -2.460 -13.923 1.00 0.00 C ATOM 880 OD1 ASN A 62 -1.595 -3.485 -13.323 1.00 0.00 O ATOM 881 ND2 ASN A 62 -1.618 -2.362 -15.199 1.00 0.00 N ATOM 0 H ASN A 62 -3.613 0.282 -11.384 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.370 -2.042 -13.166 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.526 -0.446 -13.933 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.629 -0.891 -12.495 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.248 -3.159 -15.717 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.823 -1.488 -15.684 1.00 0.00 H new ATOM 888 N GLU A 63 -3.970 -3.673 -11.363 1.00 0.00 N ATOM 889 CA GLU A 63 -3.780 -4.647 -10.244 1.00 0.00 C ATOM 890 C GLU A 63 -2.441 -5.379 -10.435 1.00 0.00 C ATOM 891 O GLU A 63 -1.768 -5.680 -9.461 1.00 0.00 O ATOM 892 CB GLU A 63 -4.948 -5.648 -10.256 1.00 0.00 C ATOM 893 CG GLU A 63 -5.100 -6.270 -8.854 1.00 0.00 C ATOM 894 CD GLU A 63 -6.072 -7.446 -8.949 1.00 0.00 C ATOM 895 OE1 GLU A 63 -7.245 -7.171 -9.130 1.00 0.00 O ATOM 896 OE2 GLU A 63 -5.544 -8.539 -8.840 1.00 0.00 O ATOM 0 H GLU A 63 -4.544 -4.012 -12.135 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.763 -4.129 -9.285 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.871 -5.145 -10.545 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.766 -6.428 -10.995 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.132 -6.607 -8.482 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.472 -5.527 -8.148 1.00 0.00 H new ATOM 903 N ASP A 64 -2.071 -5.623 -11.666 1.00 0.00 N ATOM 904 CA ASP A 64 -0.782 -6.336 -11.940 1.00 0.00 C ATOM 905 C ASP A 64 0.398 -5.542 -11.352 1.00 0.00 C ATOM 906 O ASP A 64 1.293 -6.078 -10.721 1.00 0.00 O ATOM 907 CB ASP A 64 -0.600 -6.486 -13.460 1.00 0.00 C ATOM 908 CG ASP A 64 0.625 -7.373 -13.719 1.00 0.00 C ATOM 909 OD1 ASP A 64 0.491 -8.541 -13.396 1.00 0.00 O ATOM 910 OD2 ASP A 64 1.606 -6.846 -14.215 1.00 0.00 O ATOM 0 H ASP A 64 -2.604 -5.360 -12.495 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.809 -7.321 -11.474 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.490 -6.930 -13.906 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.465 -5.509 -13.923 1.00 0.00 H new ATOM 915 N ASN A 65 0.375 -4.255 -11.553 1.00 0.00 N ATOM 916 CA ASN A 65 1.474 -3.388 -11.031 1.00 0.00 C ATOM 917 C ASN A 65 1.415 -3.334 -9.490 1.00 0.00 C ATOM 918 O ASN A 65 2.396 -3.568 -8.810 1.00 0.00 O ATOM 919 CB ASN A 65 1.310 -1.994 -11.679 1.00 0.00 C ATOM 920 CG ASN A 65 1.741 -2.023 -13.161 1.00 0.00 C ATOM 921 OD1 ASN A 65 2.150 -3.022 -13.714 1.00 0.00 O ATOM 922 ND2 ASN A 65 1.680 -0.936 -13.865 1.00 0.00 N ATOM 0 H ASN A 65 -0.360 -3.761 -12.059 1.00 0.00 H new ATOM 0 HA ASN A 65 2.456 -3.786 -11.288 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.271 -1.673 -11.604 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.909 -1.263 -11.136 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.970 -0.945 -14.843 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.342 -0.072 -13.441 1.00 0.00 H new ATOM 929 N ALA A 66 0.262 -3.022 -8.959 1.00 0.00 N ATOM 930 CA ALA A 66 0.088 -2.954 -7.468 1.00 0.00 C ATOM 931 C ALA A 66 0.684 -4.195 -6.775 1.00 0.00 C ATOM 932 O ALA A 66 1.332 -4.071 -5.749 1.00 0.00 O ATOM 933 CB ALA A 66 -1.387 -2.874 -7.155 1.00 0.00 C ATOM 0 H ALA A 66 -0.578 -2.808 -9.496 1.00 0.00 H new ATOM 0 HA ALA A 66 0.612 -2.073 -7.098 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.528 -2.824 -6.075 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.809 -1.982 -7.618 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.890 -3.758 -7.546 1.00 0.00 H new ATOM 939 N ARG A 67 0.427 -5.351 -7.345 1.00 0.00 N ATOM 940 CA ARG A 67 0.957 -6.618 -6.763 1.00 0.00 C ATOM 941 C ARG A 67 2.436 -6.795 -7.151 1.00 0.00 C ATOM 942 O ARG A 67 3.165 -7.518 -6.501 1.00 0.00 O ATOM 943 CB ARG A 67 0.125 -7.812 -7.300 1.00 0.00 C ATOM 944 CG ARG A 67 0.492 -9.108 -6.510 1.00 0.00 C ATOM 945 CD ARG A 67 -0.263 -10.329 -7.113 1.00 0.00 C ATOM 946 NE ARG A 67 0.160 -11.611 -6.428 1.00 0.00 N ATOM 947 CZ ARG A 67 0.750 -12.536 -7.121 1.00 0.00 C ATOM 948 NH1 ARG A 67 -0.019 -13.262 -7.873 1.00 0.00 N ATOM 949 NH2 ARG A 67 2.043 -12.674 -7.026 1.00 0.00 N ATOM 0 H ARG A 67 -0.130 -5.467 -8.192 1.00 0.00 H new ATOM 0 HA ARG A 67 0.881 -6.579 -5.676 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.939 -7.601 -7.197 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.320 -7.955 -8.363 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.568 -9.278 -6.553 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.229 -8.990 -5.459 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.338 -10.189 -7.002 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.059 -10.397 -8.182 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.017 -11.746 -5.433 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.024 -13.088 -7.894 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.381 -14.007 -8.444 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.578 -12.059 -6.413 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.520 -13.397 -7.565 1.00 0.00 H new ATOM 963 N SER A 68 2.852 -6.122 -8.186 1.00 0.00 N ATOM 964 CA SER A 68 4.264 -6.201 -8.678 1.00 0.00 C ATOM 965 C SER A 68 5.228 -5.366 -7.803 1.00 0.00 C ATOM 966 O SER A 68 6.422 -5.583 -7.865 1.00 0.00 O ATOM 967 CB SER A 68 4.118 -5.763 -10.192 1.00 0.00 C ATOM 968 OG SER A 68 5.343 -5.357 -10.787 1.00 0.00 O ATOM 0 H SER A 68 2.256 -5.500 -8.731 1.00 0.00 H new ATOM 0 HA SER A 68 4.730 -7.184 -8.608 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.704 -6.594 -10.764 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.403 -4.943 -10.257 1.00 0.00 H new ATOM 0 HG SER A 68 5.167 -4.663 -11.456 1.00 0.00 H new ATOM 974 N ILE A 69 4.711 -4.474 -6.995 1.00 0.00 N ATOM 975 CA ILE A 69 5.565 -3.616 -6.104 1.00 0.00 C ATOM 976 C ILE A 69 6.323 -4.471 -5.044 1.00 0.00 C ATOM 977 O ILE A 69 7.543 -4.494 -5.025 1.00 0.00 O ATOM 978 CB ILE A 69 4.602 -2.559 -5.447 1.00 0.00 C ATOM 979 CG1 ILE A 69 4.001 -1.646 -6.534 1.00 0.00 C ATOM 980 CG2 ILE A 69 5.338 -1.718 -4.433 1.00 0.00 C ATOM 981 CD1 ILE A 69 2.744 -0.961 -5.952 1.00 0.00 C ATOM 0 H ILE A 69 3.710 -4.298 -6.911 1.00 0.00 H new ATOM 0 HA ILE A 69 6.346 -3.112 -6.673 1.00 0.00 H new ATOM 0 HB ILE A 69 3.802 -3.098 -4.939 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.730 -0.899 -6.848 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.741 -2.228 -7.418 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.651 -0.995 -3.993 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.739 -2.361 -3.650 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.156 -1.190 -4.923 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.303 -0.309 -6.706 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.019 -1.720 -5.659 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.023 -0.370 -5.080 1.00 0.00 H new ATOM 993 N PRO A 70 5.607 -5.169 -4.187 1.00 0.00 N ATOM 994 CA PRO A 70 6.264 -5.982 -3.133 1.00 0.00 C ATOM 995 C PRO A 70 7.296 -7.039 -3.589 1.00 0.00 C ATOM 996 O PRO A 70 8.330 -7.107 -2.946 1.00 0.00 O ATOM 997 CB PRO A 70 5.071 -6.576 -2.331 1.00 0.00 C ATOM 998 CG PRO A 70 3.871 -6.539 -3.302 1.00 0.00 C ATOM 999 CD PRO A 70 4.110 -5.263 -4.107 1.00 0.00 C ATOM 0 HA PRO A 70 6.924 -5.351 -2.537 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.283 -7.595 -2.006 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.870 -5.991 -1.434 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.845 -7.420 -3.943 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.922 -6.506 -2.767 1.00 0.00 H new ATOM 0 HD2 PRO A 70 3.659 -5.324 -5.097 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.680 -4.392 -3.614 1.00 0.00 H new ATOM 1007 N PRO A 71 7.035 -7.820 -4.625 1.00 0.00 N ATOM 1008 CA PRO A 71 8.005 -8.847 -5.087 1.00 0.00 C ATOM 1009 C PRO A 71 9.330 -8.251 -5.565 1.00 0.00 C ATOM 1010 O PRO A 71 10.369 -8.625 -5.058 1.00 0.00 O ATOM 1011 CB PRO A 71 7.252 -9.612 -6.194 1.00 0.00 C ATOM 1012 CG PRO A 71 6.284 -8.542 -6.753 1.00 0.00 C ATOM 1013 CD PRO A 71 5.812 -7.834 -5.475 1.00 0.00 C ATOM 0 HA PRO A 71 8.315 -9.506 -4.276 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.930 -9.984 -6.962 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.716 -10.474 -5.797 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.785 -7.857 -7.437 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.455 -8.989 -7.301 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.453 -6.826 -5.682 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.994 -8.371 -4.995 1.00 0.00 H new ATOM 1021 N LYS A 72 9.264 -7.350 -6.517 1.00 0.00 N ATOM 1022 CA LYS A 72 10.521 -6.720 -7.043 1.00 0.00 C ATOM 1023 C LYS A 72 11.293 -6.022 -5.929 1.00 0.00 C ATOM 1024 O LYS A 72 12.506 -6.074 -5.873 1.00 0.00 O ATOM 1025 CB LYS A 72 10.164 -5.705 -8.157 1.00 0.00 C ATOM 1026 CG LYS A 72 9.128 -4.624 -7.742 1.00 0.00 C ATOM 1027 CD LYS A 72 8.442 -4.074 -9.046 1.00 0.00 C ATOM 1028 CE LYS A 72 9.372 -3.127 -9.816 1.00 0.00 C ATOM 1029 NZ LYS A 72 9.317 -1.772 -9.183 1.00 0.00 N ATOM 0 H LYS A 72 8.400 -7.024 -6.951 1.00 0.00 H new ATOM 0 HA LYS A 72 11.157 -7.505 -7.453 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.077 -5.207 -8.483 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.775 -6.251 -9.016 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.382 -5.050 -7.071 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.619 -3.815 -7.201 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.158 -4.908 -9.688 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.524 -3.549 -8.781 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.393 -3.508 -9.802 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.068 -3.067 -10.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.761 -1.075 -9.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.325 -1.506 -9.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.826 -1.791 -8.276 1.00 0.00 H new ATOM 1043 N CYS A 73 10.556 -5.379 -5.074 1.00 0.00 N ATOM 1044 CA CYS A 73 11.180 -4.654 -3.935 1.00 0.00 C ATOM 1045 C CYS A 73 11.864 -5.617 -2.943 1.00 0.00 C ATOM 1046 O CYS A 73 13.042 -5.499 -2.666 1.00 0.00 O ATOM 1047 CB CYS A 73 10.061 -3.894 -3.303 1.00 0.00 C ATOM 1048 SG CYS A 73 10.518 -2.611 -2.131 1.00 0.00 S ATOM 0 H CYS A 73 9.538 -5.323 -5.114 1.00 0.00 H new ATOM 0 HA CYS A 73 11.979 -3.990 -4.266 1.00 0.00 H new ATOM 0 HB2 CYS A 73 9.470 -3.436 -4.096 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.412 -4.606 -2.793 1.00 0.00 H new ATOM 1053 N GLY A 74 11.098 -6.541 -2.418 1.00 0.00 N ATOM 1054 CA GLY A 74 11.660 -7.529 -1.443 1.00 0.00 C ATOM 1055 C GLY A 74 11.171 -7.261 -0.025 1.00 0.00 C ATOM 1056 O GLY A 74 11.847 -7.601 0.927 1.00 0.00 O ATOM 0 H GLY A 74 10.105 -6.655 -2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.375 -8.538 -1.742 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.749 -7.485 -1.467 1.00 0.00 H new ATOM 1060 N VAL A 75 10.020 -6.651 0.090 1.00 0.00 N ATOM 1061 CA VAL A 75 9.445 -6.339 1.428 1.00 0.00 C ATOM 1062 C VAL A 75 8.146 -7.092 1.696 1.00 0.00 C ATOM 1063 O VAL A 75 7.776 -7.249 2.842 1.00 0.00 O ATOM 1064 CB VAL A 75 9.222 -4.822 1.459 1.00 0.00 C ATOM 1065 CG1 VAL A 75 10.500 -4.103 1.094 1.00 0.00 C ATOM 1066 CG2 VAL A 75 8.121 -4.396 0.513 1.00 0.00 C ATOM 0 H VAL A 75 9.447 -6.352 -0.700 1.00 0.00 H new ATOM 0 HA VAL A 75 10.129 -6.659 2.214 1.00 0.00 H new ATOM 0 HB VAL A 75 8.921 -4.557 2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.332 -3.026 1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.281 -4.365 1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.810 -4.399 0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.995 -3.315 0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.385 -4.682 -0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.189 -4.884 0.796 1.00 0.00 H new ATOM 1076 N ASN A 76 7.506 -7.507 0.638 1.00 0.00 N ATOM 1077 CA ASN A 76 6.215 -8.255 0.725 1.00 0.00 C ATOM 1078 C ASN A 76 5.207 -7.605 1.695 1.00 0.00 C ATOM 1079 O ASN A 76 5.239 -7.829 2.887 1.00 0.00 O ATOM 1080 CB ASN A 76 6.511 -9.678 1.174 1.00 0.00 C ATOM 1081 CG ASN A 76 5.381 -10.538 0.589 1.00 0.00 C ATOM 1082 OD1 ASN A 76 5.384 -10.864 -0.582 1.00 0.00 O ATOM 1083 ND2 ASN A 76 4.398 -10.911 1.347 1.00 0.00 N ATOM 0 H ASN A 76 7.834 -7.354 -0.316 1.00 0.00 H new ATOM 0 HA ASN A 76 5.753 -8.240 -0.262 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.484 -10.009 0.811 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.535 -9.749 2.261 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.639 -11.471 0.959 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.383 -10.644 2.331 1.00 0.00 H new ATOM 1090 N LEU A 77 4.311 -6.817 1.164 1.00 0.00 N ATOM 1091 CA LEU A 77 3.300 -6.144 2.046 1.00 0.00 C ATOM 1092 C LEU A 77 2.085 -7.049 2.190 1.00 0.00 C ATOM 1093 O LEU A 77 1.872 -7.890 1.339 1.00 0.00 O ATOM 1094 CB LEU A 77 2.827 -4.784 1.422 1.00 0.00 C ATOM 1095 CG LEU A 77 3.234 -3.626 2.356 1.00 0.00 C ATOM 1096 CD1 LEU A 77 4.733 -3.473 2.377 1.00 0.00 C ATOM 1097 CD2 LEU A 77 2.597 -2.310 1.972 1.00 0.00 C ATOM 0 H LEU A 77 4.231 -6.608 0.169 1.00 0.00 H new ATOM 0 HA LEU A 77 3.763 -5.952 3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.275 -4.647 0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.746 -4.791 1.282 1.00 0.00 H new ATOM 0 HG LEU A 77 2.870 -3.886 3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.006 -2.652 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.188 -4.396 2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.091 -3.260 1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.921 -1.533 2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.899 -2.042 0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.512 -2.405 2.014 1.00 0.00 H new ATOM 1109 N PRO A 78 1.310 -6.868 3.239 1.00 0.00 N ATOM 1110 CA PRO A 78 0.094 -7.676 3.442 1.00 0.00 C ATOM 1111 C PRO A 78 -1.042 -7.085 2.603 1.00 0.00 C ATOM 1112 O PRO A 78 -2.109 -7.665 2.552 1.00 0.00 O ATOM 1113 CB PRO A 78 -0.195 -7.610 4.949 1.00 0.00 C ATOM 1114 CG PRO A 78 0.980 -6.777 5.540 1.00 0.00 C ATOM 1115 CD PRO A 78 1.477 -5.915 4.368 1.00 0.00 C ATOM 0 HA PRO A 78 0.206 -8.714 3.128 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.156 -7.136 5.148 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.235 -8.607 5.389 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.647 -6.158 6.373 1.00 0.00 H new ATOM 0 HG3 PRO A 78 1.772 -7.423 5.920 1.00 0.00 H new ATOM 0 HD2 PRO A 78 0.883 -5.010 4.238 1.00 0.00 H new ATOM 0 HD3 PRO A 78 2.513 -5.601 4.495 1.00 0.00 H new ATOM 1123 N TYR A 79 -0.807 -5.954 1.970 1.00 0.00 N ATOM 1124 CA TYR A 79 -1.879 -5.319 1.133 1.00 0.00 C ATOM 1125 C TYR A 79 -1.285 -4.174 0.283 1.00 0.00 C ATOM 1126 O TYR A 79 -0.293 -3.593 0.668 1.00 0.00 O ATOM 1127 CB TYR A 79 -2.974 -4.830 2.135 1.00 0.00 C ATOM 1128 CG TYR A 79 -2.334 -3.983 3.237 1.00 0.00 C ATOM 1129 CD1 TYR A 79 -1.974 -2.707 2.926 1.00 0.00 C ATOM 1130 CD2 TYR A 79 -2.086 -4.465 4.513 1.00 0.00 C ATOM 1131 CE1 TYR A 79 -1.367 -1.907 3.846 1.00 0.00 C ATOM 1132 CE2 TYR A 79 -1.471 -3.656 5.449 1.00 0.00 C ATOM 1133 CZ TYR A 79 -1.110 -2.368 5.105 1.00 0.00 C ATOM 1134 OH TYR A 79 -0.467 -1.471 5.934 1.00 0.00 O ATOM 0 H TYR A 79 0.077 -5.447 1.998 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.318 -6.015 0.418 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.727 -4.245 1.607 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.486 -5.687 2.574 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.173 -2.324 1.936 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.373 -5.472 4.775 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -1.087 -0.899 3.577 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.274 -4.028 6.443 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.324 -1.882 6.812 1.00 0.00 H new ATOM 1144 N THR A 80 -1.883 -3.879 -0.839 1.00 0.00 N ATOM 1145 CA THR A 80 -1.386 -2.786 -1.748 1.00 0.00 C ATOM 1146 C THR A 80 -2.603 -1.988 -2.267 1.00 0.00 C ATOM 1147 O THR A 80 -3.642 -1.944 -1.634 1.00 0.00 O ATOM 1148 CB THR A 80 -0.568 -3.493 -2.917 1.00 0.00 C ATOM 1149 OG1 THR A 80 -0.077 -2.529 -3.850 1.00 0.00 O ATOM 1150 CG2 THR A 80 -1.464 -4.368 -3.761 1.00 0.00 C ATOM 0 H THR A 80 -2.717 -4.358 -1.179 1.00 0.00 H new ATOM 0 HA THR A 80 -0.731 -2.077 -1.242 1.00 0.00 H new ATOM 0 HB THR A 80 0.225 -4.053 -2.421 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.473 -2.978 -4.526 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.876 -4.837 -4.550 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.913 -5.140 -3.136 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.251 -3.760 -4.207 1.00 0.00 H new ATOM 1158 N ILE A 81 -2.449 -1.388 -3.414 1.00 0.00 N ATOM 1159 CA ILE A 81 -3.542 -0.583 -4.033 1.00 0.00 C ATOM 1160 C ILE A 81 -4.499 -1.589 -4.725 1.00 0.00 C ATOM 1161 O ILE A 81 -4.429 -1.787 -5.923 1.00 0.00 O ATOM 1162 CB ILE A 81 -2.875 0.416 -5.052 1.00 0.00 C ATOM 1163 CG1 ILE A 81 -1.825 1.385 -4.391 1.00 0.00 C ATOM 1164 CG2 ILE A 81 -3.918 1.288 -5.711 1.00 0.00 C ATOM 1165 CD1 ILE A 81 -0.520 0.700 -3.883 1.00 0.00 C ATOM 0 H ILE A 81 -1.590 -1.422 -3.963 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.114 0.004 -3.314 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.364 -0.222 -5.773 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.555 2.152 -5.117 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -2.301 1.893 -3.552 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.433 1.969 -6.410 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.629 0.661 -6.249 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.445 1.863 -4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.138 1.450 -3.445 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.771 -0.047 -3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.014 0.217 -4.719 1.00 0.00 H new ATOM 1177 N SER A 82 -5.352 -2.217 -3.953 1.00 0.00 N ATOM 1178 CA SER A 82 -6.310 -3.209 -4.540 1.00 0.00 C ATOM 1179 C SER A 82 -7.541 -3.298 -3.625 1.00 0.00 C ATOM 1180 O SER A 82 -7.496 -2.795 -2.516 1.00 0.00 O ATOM 1181 CB SER A 82 -5.552 -4.556 -4.637 1.00 0.00 C ATOM 1182 OG SER A 82 -5.953 -5.124 -5.875 1.00 0.00 O ATOM 0 H SER A 82 -5.427 -2.087 -2.944 1.00 0.00 H new ATOM 0 HA SER A 82 -6.661 -2.924 -5.532 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.473 -4.403 -4.606 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.806 -5.211 -3.803 1.00 0.00 H new ATOM 0 HG SER A 82 -5.504 -5.986 -6.000 1.00 0.00 H new ATOM 1188 N LEU A 83 -8.596 -3.912 -4.094 1.00 0.00 N ATOM 1189 CA LEU A 83 -9.833 -4.048 -3.270 1.00 0.00 C ATOM 1190 C LEU A 83 -10.048 -5.544 -3.000 1.00 0.00 C ATOM 1191 O LEU A 83 -11.178 -5.994 -2.950 1.00 0.00 O ATOM 1192 CB LEU A 83 -11.013 -3.439 -4.065 1.00 0.00 C ATOM 1193 CG LEU A 83 -10.771 -1.930 -4.399 1.00 0.00 C ATOM 1194 CD1 LEU A 83 -11.895 -1.443 -5.284 1.00 0.00 C ATOM 1195 CD2 LEU A 83 -10.728 -1.105 -3.135 1.00 0.00 C ATOM 0 H LEU A 83 -8.653 -4.329 -5.023 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.754 -3.524 -2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -11.155 -3.998 -4.990 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.932 -3.541 -3.487 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.814 -1.824 -4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.739 -0.391 -5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -11.913 -2.027 -6.204 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -12.845 -1.559 -4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.559 -0.059 -3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -11.676 -1.201 -2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.918 -1.459 -2.497 1.00 0.00 H new ATOM 1207 N ASN A 84 -8.962 -6.261 -2.828 1.00 0.00 N ATOM 1208 CA ASN A 84 -9.074 -7.737 -2.560 1.00 0.00 C ATOM 1209 C ASN A 84 -8.600 -8.086 -1.136 1.00 0.00 C ATOM 1210 O ASN A 84 -8.792 -9.200 -0.694 1.00 0.00 O ATOM 1211 CB ASN A 84 -8.235 -8.497 -3.638 1.00 0.00 C ATOM 1212 CG ASN A 84 -8.590 -9.999 -3.701 1.00 0.00 C ATOM 1213 OD1 ASN A 84 -8.160 -10.696 -4.596 1.00 0.00 O ATOM 1214 ND2 ASN A 84 -9.348 -10.575 -2.818 1.00 0.00 N ATOM 0 H ASN A 84 -8.010 -5.895 -2.861 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.118 -8.042 -2.624 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.405 -8.044 -4.615 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.174 -8.385 -3.415 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.557 -11.570 -2.897 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.734 -10.032 -2.046 1.00 0.00 H new ATOM 1221 N ILE A 85 -7.990 -7.152 -0.444 1.00 0.00 N ATOM 1222 CA ILE A 85 -7.517 -7.443 0.946 1.00 0.00 C ATOM 1223 C ILE A 85 -8.692 -7.233 1.911 1.00 0.00 C ATOM 1224 O ILE A 85 -9.559 -6.415 1.669 1.00 0.00 O ATOM 1225 CB ILE A 85 -6.382 -6.477 1.329 1.00 0.00 C ATOM 1226 CG1 ILE A 85 -5.207 -6.661 0.323 1.00 0.00 C ATOM 1227 CG2 ILE A 85 -5.938 -6.708 2.757 1.00 0.00 C ATOM 1228 CD1 ILE A 85 -5.183 -5.494 -0.696 1.00 0.00 C ATOM 0 H ILE A 85 -7.801 -6.208 -0.779 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.149 -8.468 1.001 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.737 -5.448 1.273 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.261 -6.701 0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.315 -7.610 -0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.135 -6.014 3.005 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.779 -6.545 3.430 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -5.579 -7.732 2.865 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.357 -5.636 -1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.123 -5.473 -1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.052 -4.551 -0.166 1.00 0.00 H new ATOM 1240 N ASP A 86 -8.674 -7.971 2.987 1.00 0.00 N ATOM 1241 CA ASP A 86 -9.746 -7.881 4.020 1.00 0.00 C ATOM 1242 C ASP A 86 -9.397 -6.876 5.118 1.00 0.00 C ATOM 1243 O ASP A 86 -10.256 -6.173 5.616 1.00 0.00 O ATOM 1244 CB ASP A 86 -9.934 -9.249 4.691 1.00 0.00 C ATOM 1245 CG ASP A 86 -10.278 -10.361 3.702 1.00 0.00 C ATOM 1246 OD1 ASP A 86 -9.463 -10.557 2.815 1.00 0.00 O ATOM 1247 OD2 ASP A 86 -11.328 -10.950 3.902 1.00 0.00 O ATOM 0 H ASP A 86 -7.943 -8.650 3.198 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.654 -7.557 3.511 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.020 -9.514 5.223 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.727 -9.176 5.436 1.00 0.00 H new ATOM 1252 N CYS A 87 -8.133 -6.834 5.477 1.00 0.00 N ATOM 1253 CA CYS A 87 -7.658 -5.907 6.550 1.00 0.00 C ATOM 1254 C CYS A 87 -8.501 -6.056 7.831 1.00 0.00 C ATOM 1255 O CYS A 87 -8.562 -5.144 8.630 1.00 0.00 O ATOM 1256 CB CYS A 87 -7.726 -4.472 6.003 1.00 0.00 C ATOM 1257 SG CYS A 87 -6.762 -4.094 4.519 1.00 0.00 S ATOM 0 H CYS A 87 -7.402 -7.413 5.064 1.00 0.00 H new ATOM 0 HA CYS A 87 -6.632 -6.152 6.823 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.770 -4.242 5.793 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.404 -3.795 6.794 1.00 0.00 H new ATOM 1262 N SER A 88 -9.116 -7.201 7.998 1.00 0.00 N ATOM 1263 CA SER A 88 -9.959 -7.446 9.208 1.00 0.00 C ATOM 1264 C SER A 88 -9.220 -8.380 10.182 1.00 0.00 C ATOM 1265 O SER A 88 -9.527 -8.371 11.359 1.00 0.00 O ATOM 1266 CB SER A 88 -11.297 -8.048 8.714 1.00 0.00 C ATOM 1267 OG SER A 88 -12.177 -8.024 9.832 1.00 0.00 O ATOM 0 H SER A 88 -9.069 -7.981 7.343 1.00 0.00 H new ATOM 0 HA SER A 88 -10.158 -6.525 9.756 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.703 -7.468 7.886 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.156 -9.066 8.351 1.00 0.00 H new ATOM 0 HG SER A 88 -13.046 -8.395 9.572 1.00 0.00 H new ATOM 1273 N ARG A 89 -8.291 -9.165 9.688 1.00 0.00 N ATOM 1274 CA ARG A 89 -7.531 -10.089 10.590 1.00 0.00 C ATOM 1275 C ARG A 89 -6.036 -10.050 10.206 1.00 0.00 C ATOM 1276 O ARG A 89 -5.352 -11.050 10.307 1.00 0.00 O ATOM 1277 CB ARG A 89 -8.122 -11.524 10.432 1.00 0.00 C ATOM 1278 CG ARG A 89 -7.679 -12.438 11.616 1.00 0.00 C ATOM 1279 CD ARG A 89 -8.269 -13.849 11.401 1.00 0.00 C ATOM 1280 NE ARG A 89 -7.935 -14.734 12.573 1.00 0.00 N ATOM 1281 CZ ARG A 89 -8.896 -15.290 13.258 1.00 0.00 C ATOM 1282 NH1 ARG A 89 -9.716 -16.050 12.602 1.00 0.00 N ATOM 1283 NH2 ARG A 89 -8.990 -15.060 14.534 1.00 0.00 N ATOM 0 H ARG A 89 -8.027 -9.206 8.704 1.00 0.00 H new ATOM 0 HA ARG A 89 -7.621 -9.785 11.633 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -9.210 -11.472 10.394 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.790 -11.957 9.488 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -6.591 -12.487 11.669 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -8.025 -12.024 12.563 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.350 -13.785 11.280 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -7.871 -14.282 10.483 1.00 0.00 H new ATOM 0 HE ARG A 89 -6.962 -14.898 12.830 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -9.592 -16.188 11.599 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -10.486 -16.510 13.089 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -8.315 -14.448 14.993 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -9.739 -15.491 15.076 1.00 0.00 H new ATOM 1297 N VAL A 90 -5.565 -8.902 9.794 1.00 0.00 N ATOM 1298 CA VAL A 90 -4.137 -8.762 9.394 1.00 0.00 C ATOM 1299 C VAL A 90 -3.382 -8.028 10.516 1.00 0.00 C ATOM 1300 O VAL A 90 -2.289 -8.486 10.813 1.00 0.00 O ATOM 1301 CB VAL A 90 -4.078 -7.955 8.065 1.00 0.00 C ATOM 1302 CG1 VAL A 90 -2.712 -8.106 7.443 1.00 0.00 C ATOM 1303 CG2 VAL A 90 -5.106 -8.454 7.077 1.00 0.00 C ATOM 1304 OXT VAL A 90 -3.911 -7.055 11.019 1.00 0.00 O ATOM 0 H VAL A 90 -6.116 -8.047 9.718 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.673 -9.736 9.239 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.284 -6.910 8.299 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.672 -7.540 6.512 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.955 -7.728 8.130 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.521 -9.159 7.236 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.041 -7.871 6.158 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.917 -9.504 6.855 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.103 -8.347 7.504 1.00 0.00 H new TER 1314 VAL A 90