USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 677 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -2.8! K(o=-2.8!,f=-1.4) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.467! USER MOD Single : A 13 GLN : amide:sc= -11.7! C(o=-12!,f=-19!) USER MOD Single : A 15 ASN : amide:sc= -5.29! C(o=-5.3!,f=-11!) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0246 USER MOD Single : A 20 GLN : amide:sc= -0.639 K(o=-0.64,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.695 K(o=-0.69,f=-0.017) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 69:sc= 0.161 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 0:sc= 1.07 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.23) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.867 X(o=-0.87,f=-0.61) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.445 USER MOD Single : A 55 SER OG : rot 69:sc= 1.03 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 69 THR OG1 : rot -120:sc=-0.00668 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -142:sc= 0.995 (180deg=0.309) USER MOD Single : A 78 ASN : amide:sc= -9.33! C(o=-9.3!,f=-23!) USER MOD Single : A 79 HIS : no HE2:sc= -18.4! C(o=-18!,f=-18!) USER MOD Single : A 80 THR OG1 : rot 179:sc= -3.39! USER MOD Single : A 83 HIS : no HE2:sc= -5.83! C(o=-5.8!,f=-7.8!) USER MOD Single : A 85 SER OG : rot -61:sc= 0.878 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot -62:sc= 0.804 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -3.01! C(o=-3!,f=-5.3!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.749 20.096 -1.648 1.00 0.00 N ATOM 2 CA ALA A 1 13.085 19.027 -0.857 1.00 0.00 C ATOM 3 C ALA A 1 12.122 19.618 0.165 1.00 0.00 C ATOM 4 O ALA A 1 12.502 20.466 0.971 1.00 0.00 O ATOM 5 CB ALA A 1 14.125 18.167 -0.155 1.00 0.00 C ATOM 0 H1 ALA A 1 14.399 19.666 -2.336 1.00 0.00 H new ATOM 0 H2 ALA A 1 13.030 20.652 -2.152 1.00 0.00 H new ATOM 0 H3 ALA A 1 14.284 20.719 -1.010 1.00 0.00 H new ATOM 0 HA ALA A 1 12.513 18.405 -1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 1 13.625 17.388 0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 1 14.778 17.707 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 1 14.719 18.789 0.515 1.00 0.00 H new ATOM 13 N PRO A 2 10.858 19.171 0.147 1.00 0.00 N ATOM 14 CA PRO A 2 9.836 19.653 1.081 1.00 0.00 C ATOM 15 C PRO A 2 10.210 19.376 2.534 1.00 0.00 C ATOM 16 O PRO A 2 10.577 18.255 2.888 1.00 0.00 O ATOM 17 CB PRO A 2 8.580 18.862 0.693 1.00 0.00 C ATOM 18 CG PRO A 2 9.079 17.693 -0.085 1.00 0.00 C ATOM 19 CD PRO A 2 10.327 18.160 -0.778 1.00 0.00 C ATOM 0 HA PRO A 2 9.706 20.733 1.015 1.00 0.00 H new ATOM 0 HB2 PRO A 2 8.029 18.541 1.577 1.00 0.00 H new ATOM 0 HB3 PRO A 2 7.900 19.470 0.097 1.00 0.00 H new ATOM 0 HG2 PRO A 2 9.290 16.849 0.571 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.334 17.358 -0.807 1.00 0.00 H new ATOM 0 HD2 PRO A 2 11.033 17.344 -0.933 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.110 18.584 -1.758 1.00 0.00 H new ATOM 27 N ASP A 3 10.112 20.403 3.371 1.00 0.00 N ATOM 28 CA ASP A 3 10.437 20.270 4.787 1.00 0.00 C ATOM 29 C ASP A 3 9.177 20.021 5.606 1.00 0.00 C ATOM 30 O ASP A 3 8.841 20.795 6.504 1.00 0.00 O ATOM 31 CB ASP A 3 11.148 21.525 5.294 1.00 0.00 C ATOM 32 CG ASP A 3 11.844 21.299 6.624 1.00 0.00 C ATOM 33 OD1 ASP A 3 11.483 20.331 7.325 1.00 0.00 O ATOM 34 OD2 ASP A 3 12.749 22.089 6.963 1.00 0.00 O ATOM 0 H ASP A 3 9.810 21.337 3.094 1.00 0.00 H new ATOM 0 HA ASP A 3 11.104 19.416 4.903 1.00 0.00 H new ATOM 0 HB2 ASP A 3 11.880 21.848 4.554 1.00 0.00 H new ATOM 0 HB3 ASP A 3 10.423 22.332 5.399 1.00 0.00 H new ATOM 39 N VAL A 4 8.482 18.937 5.284 1.00 0.00 N ATOM 40 CA VAL A 4 7.253 18.579 5.978 1.00 0.00 C ATOM 41 C VAL A 4 7.427 17.288 6.771 1.00 0.00 C ATOM 42 O VAL A 4 8.482 16.655 6.723 1.00 0.00 O ATOM 43 CB VAL A 4 6.084 18.406 4.989 1.00 0.00 C ATOM 44 CG1 VAL A 4 5.009 19.454 5.238 1.00 0.00 C ATOM 45 CG2 VAL A 4 6.583 18.478 3.552 1.00 0.00 C ATOM 0 H VAL A 4 8.751 18.289 4.544 1.00 0.00 H new ATOM 0 HA VAL A 4 7.025 19.395 6.663 1.00 0.00 H new ATOM 0 HB VAL A 4 5.643 17.422 5.149 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.193 19.314 4.529 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.629 19.351 6.254 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.434 20.449 5.109 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.743 18.354 2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.052 19.446 3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.311 17.686 3.380 1.00 0.00 H new ATOM 55 N GLN A 5 6.385 16.902 7.499 1.00 0.00 N ATOM 56 CA GLN A 5 6.423 15.683 8.299 1.00 0.00 C ATOM 57 C GLN A 5 6.822 14.488 7.439 1.00 0.00 C ATOM 58 O GLN A 5 6.629 14.497 6.224 1.00 0.00 O ATOM 59 CB GLN A 5 5.059 15.430 8.944 1.00 0.00 C ATOM 60 CG GLN A 5 5.102 14.447 10.101 1.00 0.00 C ATOM 61 CD GLN A 5 4.040 13.372 9.984 1.00 0.00 C ATOM 62 OE1 GLN A 5 3.171 13.243 10.846 1.00 0.00 O ATOM 63 NE2 GLN A 5 4.102 12.593 8.910 1.00 0.00 N ATOM 0 H GLN A 5 5.505 17.415 7.552 1.00 0.00 H new ATOM 0 HA GLN A 5 7.168 15.811 9.084 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.654 16.378 9.299 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.373 15.054 8.185 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.086 13.979 10.141 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.967 14.987 11.038 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.839 12.734 8.219 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.412 11.854 8.776 1.00 0.00 H new ATOM 72 N ASP A 6 7.380 13.463 8.074 1.00 0.00 N ATOM 73 CA ASP A 6 7.806 12.265 7.359 1.00 0.00 C ATOM 74 C ASP A 6 6.906 11.080 7.690 1.00 0.00 C ATOM 75 O ASP A 6 6.037 11.172 8.556 1.00 0.00 O ATOM 76 CB ASP A 6 9.262 11.925 7.698 1.00 0.00 C ATOM 77 CG ASP A 6 9.908 12.958 8.601 1.00 0.00 C ATOM 78 OD1 ASP A 6 9.440 13.121 9.746 1.00 0.00 O ATOM 79 OD2 ASP A 6 10.883 13.604 8.162 1.00 0.00 O ATOM 0 H ASP A 6 7.548 13.437 9.080 1.00 0.00 H new ATOM 0 HA ASP A 6 7.729 12.470 6.291 1.00 0.00 H new ATOM 0 HB2 ASP A 6 9.300 10.950 8.183 1.00 0.00 H new ATOM 0 HB3 ASP A 6 9.837 11.845 6.775 1.00 0.00 H new ATOM 84 N CYS A 7 7.127 9.970 6.989 1.00 0.00 N ATOM 85 CA CYS A 7 6.353 8.744 7.186 1.00 0.00 C ATOM 86 C CYS A 7 5.194 8.943 8.161 1.00 0.00 C ATOM 87 O CYS A 7 5.371 8.859 9.377 1.00 0.00 O ATOM 88 CB CYS A 7 7.264 7.626 7.693 1.00 0.00 C ATOM 89 SG CYS A 7 8.471 7.036 6.462 1.00 0.00 S ATOM 0 H CYS A 7 7.846 9.894 6.270 1.00 0.00 H new ATOM 0 HA CYS A 7 5.929 8.470 6.220 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.802 7.980 8.573 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.647 6.786 8.013 1.00 0.00 H new ATOM 94 N PRO A 8 3.988 9.200 7.634 1.00 0.00 N ATOM 95 CA PRO A 8 2.791 9.399 8.448 1.00 0.00 C ATOM 96 C PRO A 8 2.145 8.076 8.847 1.00 0.00 C ATOM 97 O PRO A 8 0.956 8.024 9.158 1.00 0.00 O ATOM 98 CB PRO A 8 1.877 10.174 7.505 1.00 0.00 C ATOM 99 CG PRO A 8 2.221 9.649 6.153 1.00 0.00 C ATOM 100 CD PRO A 8 3.692 9.309 6.193 1.00 0.00 C ATOM 0 HA PRO A 8 3.001 9.909 9.388 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.826 10.007 7.742 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.053 11.248 7.572 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.625 8.768 5.914 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.014 10.392 5.383 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.901 8.376 5.670 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.295 10.083 5.718 1.00 0.00 H new ATOM 108 N GLU A 9 2.937 7.008 8.829 1.00 0.00 N ATOM 109 CA GLU A 9 2.440 5.685 9.182 1.00 0.00 C ATOM 110 C GLU A 9 1.545 5.133 8.078 1.00 0.00 C ATOM 111 O GLU A 9 0.680 5.836 7.557 1.00 0.00 O ATOM 112 CB GLU A 9 1.672 5.740 10.502 1.00 0.00 C ATOM 113 CG GLU A 9 1.505 4.382 11.161 1.00 0.00 C ATOM 114 CD GLU A 9 0.119 4.184 11.742 1.00 0.00 C ATOM 115 OE1 GLU A 9 -0.826 3.953 10.958 1.00 0.00 O ATOM 116 OE2 GLU A 9 -0.021 4.260 12.980 1.00 0.00 O ATOM 0 H GLU A 9 3.924 7.034 8.574 1.00 0.00 H new ATOM 0 HA GLU A 9 3.295 5.020 9.299 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.193 6.407 11.189 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.687 6.172 10.323 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.703 3.600 10.428 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.246 4.273 11.953 1.00 0.00 H new ATOM 123 N CYS A 10 1.762 3.872 7.722 1.00 0.00 N ATOM 124 CA CYS A 10 0.979 3.225 6.675 1.00 0.00 C ATOM 125 C CYS A 10 -0.458 2.980 7.127 1.00 0.00 C ATOM 126 O CYS A 10 -0.707 2.632 8.281 1.00 0.00 O ATOM 127 CB CYS A 10 1.636 1.905 6.269 1.00 0.00 C ATOM 128 SG CYS A 10 0.486 0.686 5.557 1.00 0.00 S ATOM 0 H CYS A 10 2.475 3.276 8.144 1.00 0.00 H new ATOM 0 HA CYS A 10 0.950 3.893 5.814 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.423 2.112 5.544 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.116 1.467 7.144 1.00 0.00 H new ATOM 133 N THR A 11 -1.402 3.157 6.205 1.00 0.00 N ATOM 134 CA THR A 11 -2.812 2.949 6.503 1.00 0.00 C ATOM 135 C THR A 11 -3.640 3.103 5.242 1.00 0.00 C ATOM 136 O THR A 11 -3.134 2.926 4.138 1.00 0.00 O ATOM 137 CB THR A 11 -3.290 3.923 7.584 1.00 0.00 C ATOM 138 OG1 THR A 11 -4.698 4.070 7.551 1.00 0.00 O ATOM 139 CG2 THR A 11 -2.683 5.302 7.461 1.00 0.00 C ATOM 0 H THR A 11 -1.213 3.444 5.245 1.00 0.00 H new ATOM 0 HA THR A 11 -2.939 1.935 6.883 1.00 0.00 H new ATOM 0 HB THR A 11 -2.964 3.481 8.526 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.978 4.695 8.252 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.065 5.940 8.258 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.598 5.231 7.542 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.947 5.731 6.494 1.00 0.00 H new ATOM 147 N LEU A 12 -4.912 3.421 5.408 1.00 0.00 N ATOM 148 CA LEU A 12 -5.803 3.580 4.274 1.00 0.00 C ATOM 149 C LEU A 12 -5.969 5.028 3.882 1.00 0.00 C ATOM 150 O LEU A 12 -6.088 5.914 4.729 1.00 0.00 O ATOM 151 CB LEU A 12 -7.177 3.008 4.594 1.00 0.00 C ATOM 152 CG LEU A 12 -7.338 1.503 4.413 1.00 0.00 C ATOM 153 CD1 LEU A 12 -6.379 0.760 5.323 1.00 0.00 C ATOM 154 CD2 LEU A 12 -8.774 1.110 4.704 1.00 0.00 C ATOM 0 H LEU A 12 -5.350 3.574 6.316 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.350 3.041 3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.420 3.257 5.627 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.912 3.509 3.964 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.102 1.234 3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.504 -0.314 5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.354 1.041 5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.588 1.018 6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.890 0.034 4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.025 1.382 5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.440 1.632 4.017 1.00 0.00 H new ATOM 166 N GLN A 13 -6.014 5.249 2.584 1.00 0.00 N ATOM 167 CA GLN A 13 -6.212 6.575 2.052 1.00 0.00 C ATOM 168 C GLN A 13 -7.523 6.627 1.334 1.00 0.00 C ATOM 169 O GLN A 13 -7.619 6.891 0.137 1.00 0.00 O ATOM 170 CB GLN A 13 -5.085 6.948 1.159 1.00 0.00 C ATOM 171 CG GLN A 13 -3.906 7.401 1.965 1.00 0.00 C ATOM 172 CD GLN A 13 -3.470 6.372 2.988 1.00 0.00 C ATOM 173 OE1 GLN A 13 -3.371 5.186 2.689 1.00 0.00 O ATOM 174 NE2 GLN A 13 -3.218 6.825 4.211 1.00 0.00 N ATOM 0 H GLN A 13 -5.915 4.520 1.877 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.234 7.299 2.866 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.805 6.095 0.541 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.397 7.743 0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.074 7.617 1.295 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.155 8.332 2.475 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.313 7.820 4.416 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.930 6.178 4.945 1.00 0.00 H new ATOM 183 N GLU A 14 -8.507 6.328 2.128 1.00 0.00 N ATOM 184 CA GLU A 14 -9.903 6.265 1.714 1.00 0.00 C ATOM 185 C GLU A 14 -10.099 6.809 0.315 1.00 0.00 C ATOM 186 O GLU A 14 -9.545 7.842 -0.056 1.00 0.00 O ATOM 187 CB GLU A 14 -10.803 7.021 2.686 1.00 0.00 C ATOM 188 CG GLU A 14 -12.281 6.906 2.345 1.00 0.00 C ATOM 189 CD GLU A 14 -13.136 7.870 3.143 1.00 0.00 C ATOM 190 OE1 GLU A 14 -12.951 7.947 4.376 1.00 0.00 O ATOM 191 OE2 GLU A 14 -13.993 8.546 2.535 1.00 0.00 O ATOM 0 H GLU A 14 -8.371 6.112 3.116 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.182 5.211 1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.638 6.641 3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.519 8.073 2.691 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.421 7.096 1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.616 5.886 2.534 1.00 0.00 H new ATOM 198 N ASN A 15 -10.890 6.090 -0.451 1.00 0.00 N ATOM 199 CA ASN A 15 -11.181 6.459 -1.820 1.00 0.00 C ATOM 200 C ASN A 15 -12.470 7.251 -1.945 1.00 0.00 C ATOM 201 O ASN A 15 -13.500 6.708 -2.343 1.00 0.00 O ATOM 202 CB ASN A 15 -11.273 5.220 -2.697 1.00 0.00 C ATOM 203 CG ASN A 15 -10.372 5.307 -3.900 1.00 0.00 C ATOM 204 OD1 ASN A 15 -10.742 5.852 -4.940 1.00 0.00 O ATOM 205 ND2 ASN A 15 -9.181 4.767 -3.758 1.00 0.00 N ATOM 0 H ASN A 15 -11.350 5.233 -0.143 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.360 7.094 -2.152 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.008 4.341 -2.110 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.303 5.085 -3.026 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -8.516 4.788 -4.531 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -8.923 4.327 -2.875 1.00 0.00 H new ATOM 212 N PRO A 16 -12.429 8.561 -1.668 1.00 0.00 N ATOM 213 CA PRO A 16 -13.602 9.410 -1.823 1.00 0.00 C ATOM 214 C PRO A 16 -13.977 9.477 -3.292 1.00 0.00 C ATOM 215 O PRO A 16 -14.918 10.160 -3.697 1.00 0.00 O ATOM 216 CB PRO A 16 -13.139 10.773 -1.305 1.00 0.00 C ATOM 217 CG PRO A 16 -11.655 10.749 -1.459 1.00 0.00 C ATOM 218 CD PRO A 16 -11.241 9.319 -1.248 1.00 0.00 C ATOM 0 HA PRO A 16 -14.481 9.050 -1.289 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -13.584 11.587 -1.878 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -13.427 10.921 -0.264 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -11.359 11.099 -2.448 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.176 11.405 -0.732 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.366 9.061 -1.845 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.985 9.123 -0.207 1.00 0.00 H new ATOM 226 N PHE A 17 -13.204 8.735 -4.072 1.00 0.00 N ATOM 227 CA PHE A 17 -13.371 8.636 -5.507 1.00 0.00 C ATOM 228 C PHE A 17 -14.324 7.504 -5.849 1.00 0.00 C ATOM 229 O PHE A 17 -15.347 7.702 -6.504 1.00 0.00 O ATOM 230 CB PHE A 17 -12.011 8.358 -6.153 1.00 0.00 C ATOM 231 CG PHE A 17 -11.924 8.823 -7.575 1.00 0.00 C ATOM 232 CD1 PHE A 17 -12.159 10.148 -7.895 1.00 0.00 C ATOM 233 CD2 PHE A 17 -11.614 7.935 -8.591 1.00 0.00 C ATOM 234 CE1 PHE A 17 -12.085 10.583 -9.203 1.00 0.00 C ATOM 235 CE2 PHE A 17 -11.538 8.362 -9.902 1.00 0.00 C ATOM 236 CZ PHE A 17 -11.774 9.688 -10.210 1.00 0.00 C ATOM 0 H PHE A 17 -12.430 8.176 -3.714 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.782 9.573 -5.882 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.232 8.849 -5.569 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.811 7.287 -6.115 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.403 10.851 -7.112 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.430 6.897 -8.356 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -12.270 11.621 -9.439 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -11.294 7.660 -10.686 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.716 10.025 -11.235 1.00 0.00 H new ATOM 246 N PHE A 18 -13.960 6.312 -5.401 1.00 0.00 N ATOM 247 CA PHE A 18 -14.749 5.121 -5.646 1.00 0.00 C ATOM 248 C PHE A 18 -15.984 5.087 -4.751 1.00 0.00 C ATOM 249 O PHE A 18 -17.031 4.573 -5.145 1.00 0.00 O ATOM 250 CB PHE A 18 -13.881 3.885 -5.412 1.00 0.00 C ATOM 251 CG PHE A 18 -12.597 3.908 -6.194 1.00 0.00 C ATOM 252 CD1 PHE A 18 -12.524 4.599 -7.389 1.00 0.00 C ATOM 253 CD2 PHE A 18 -11.470 3.240 -5.740 1.00 0.00 C ATOM 254 CE1 PHE A 18 -11.352 4.626 -8.121 1.00 0.00 C ATOM 255 CE2 PHE A 18 -10.294 3.262 -6.468 1.00 0.00 C ATOM 256 CZ PHE A 18 -10.236 3.957 -7.661 1.00 0.00 C ATOM 0 H PHE A 18 -13.112 6.146 -4.859 1.00 0.00 H new ATOM 0 HA PHE A 18 -15.093 5.132 -6.680 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -13.651 3.806 -4.350 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -14.448 2.994 -5.682 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -13.394 5.124 -7.755 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.511 2.696 -4.808 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -11.310 5.170 -9.053 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.423 2.737 -6.105 1.00 0.00 H new ATOM 0 HZ PHE A 18 -9.320 3.977 -8.232 1.00 0.00 H new ATOM 266 N SER A 19 -15.848 5.638 -3.546 1.00 0.00 N ATOM 267 CA SER A 19 -16.939 5.684 -2.578 1.00 0.00 C ATOM 268 C SER A 19 -18.271 5.329 -3.222 1.00 0.00 C ATOM 269 O SER A 19 -18.681 5.936 -4.212 1.00 0.00 O ATOM 270 CB SER A 19 -17.024 7.070 -1.938 1.00 0.00 C ATOM 271 OG SER A 19 -18.106 7.813 -2.472 1.00 0.00 O ATOM 0 H SER A 19 -14.982 6.063 -3.216 1.00 0.00 H new ATOM 0 HA SER A 19 -16.727 4.943 -1.807 1.00 0.00 H new ATOM 0 HB2 SER A 19 -17.145 6.969 -0.859 1.00 0.00 H new ATOM 0 HB3 SER A 19 -16.091 7.609 -2.105 1.00 0.00 H new ATOM 0 HG SER A 19 -18.140 8.695 -2.045 1.00 0.00 H new ATOM 277 N GLN A 20 -18.938 4.341 -2.649 1.00 0.00 N ATOM 278 CA GLN A 20 -20.229 3.893 -3.155 1.00 0.00 C ATOM 279 C GLN A 20 -21.365 4.490 -2.334 1.00 0.00 C ATOM 280 O GLN A 20 -21.135 5.293 -1.429 1.00 0.00 O ATOM 281 CB GLN A 20 -20.314 2.366 -3.128 1.00 0.00 C ATOM 282 CG GLN A 20 -18.961 1.678 -3.049 1.00 0.00 C ATOM 283 CD GLN A 20 -19.083 0.181 -2.844 1.00 0.00 C ATOM 284 OE1 GLN A 20 -19.502 -0.550 -3.742 1.00 0.00 O ATOM 285 NE2 GLN A 20 -18.720 -0.282 -1.653 1.00 0.00 N ATOM 0 H GLN A 20 -18.607 3.831 -1.830 1.00 0.00 H new ATOM 0 HA GLN A 20 -20.326 4.234 -4.186 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -20.917 2.060 -2.273 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -20.833 2.024 -4.023 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -18.404 1.872 -3.966 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -18.385 2.108 -2.229 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -18.378 0.361 -0.938 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -18.783 -1.280 -1.453 1.00 0.00 H new ATOM 294 N PRO A 21 -22.611 4.102 -2.636 1.00 0.00 N ATOM 295 CA PRO A 21 -23.787 4.598 -1.921 1.00 0.00 C ATOM 296 C PRO A 21 -23.789 4.163 -0.460 1.00 0.00 C ATOM 297 O PRO A 21 -24.684 3.442 -0.019 1.00 0.00 O ATOM 298 CB PRO A 21 -24.971 3.967 -2.667 1.00 0.00 C ATOM 299 CG PRO A 21 -24.411 3.474 -3.960 1.00 0.00 C ATOM 300 CD PRO A 21 -22.970 3.148 -3.694 1.00 0.00 C ATOM 0 HA PRO A 21 -23.820 5.687 -1.904 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -25.407 3.150 -2.092 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -25.763 4.697 -2.835 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -24.952 2.594 -4.308 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -24.502 4.232 -4.738 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -22.842 2.116 -3.368 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -22.354 3.280 -4.584 1.00 0.00 H new ATOM 308 N GLY A 22 -22.780 4.602 0.285 1.00 0.00 N ATOM 309 CA GLY A 22 -22.688 4.243 1.686 1.00 0.00 C ATOM 310 C GLY A 22 -21.388 3.548 2.027 1.00 0.00 C ATOM 311 O GLY A 22 -21.343 2.724 2.941 1.00 0.00 O ATOM 0 H GLY A 22 -22.026 5.199 -0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -22.785 5.142 2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.522 3.591 1.945 1.00 0.00 H new ATOM 315 N ALA A 23 -20.327 3.871 1.298 1.00 0.00 N ATOM 316 CA ALA A 23 -19.034 3.256 1.547 1.00 0.00 C ATOM 317 C ALA A 23 -17.901 4.074 0.962 1.00 0.00 C ATOM 318 O ALA A 23 -17.914 4.451 -0.209 1.00 0.00 O ATOM 319 CB ALA A 23 -19.016 1.839 1.003 1.00 0.00 C ATOM 0 H ALA A 23 -20.338 4.550 0.536 1.00 0.00 H new ATOM 0 HA ALA A 23 -18.881 3.221 2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -18.043 1.388 1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -19.792 1.251 1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -19.201 1.859 -0.071 1.00 0.00 H new ATOM 325 N PRO A 24 -16.907 4.359 1.805 1.00 0.00 N ATOM 326 CA PRO A 24 -15.735 5.135 1.456 1.00 0.00 C ATOM 327 C PRO A 24 -14.554 4.263 1.083 1.00 0.00 C ATOM 328 O PRO A 24 -13.758 3.860 1.931 1.00 0.00 O ATOM 329 CB PRO A 24 -15.473 5.882 2.755 1.00 0.00 C ATOM 330 CG PRO A 24 -15.951 4.964 3.843 1.00 0.00 C ATOM 331 CD PRO A 24 -16.853 3.941 3.208 1.00 0.00 C ATOM 0 HA PRO A 24 -15.882 5.772 0.584 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.414 6.111 2.870 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.008 6.831 2.778 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.107 4.479 4.334 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -16.487 5.524 4.610 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -16.452 2.933 3.312 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -17.843 3.939 3.665 1.00 0.00 H new ATOM 339 N ILE A 25 -14.461 3.978 -0.200 1.00 0.00 N ATOM 340 CA ILE A 25 -13.407 3.159 -0.739 1.00 0.00 C ATOM 341 C ILE A 25 -12.042 3.554 -0.210 1.00 0.00 C ATOM 342 O ILE A 25 -11.939 4.452 0.626 1.00 0.00 O ATOM 343 CB ILE A 25 -13.437 3.230 -2.250 1.00 0.00 C ATOM 344 CG1 ILE A 25 -14.795 2.761 -2.719 1.00 0.00 C ATOM 345 CG2 ILE A 25 -12.355 2.340 -2.802 1.00 0.00 C ATOM 346 CD1 ILE A 25 -15.245 1.562 -1.939 1.00 0.00 C ATOM 0 H ILE A 25 -15.123 4.314 -0.900 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.581 2.132 -0.416 1.00 0.00 H new ATOM 0 HB ILE A 25 -13.265 4.249 -2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -15.521 3.566 -2.607 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -14.753 2.515 -3.780 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.368 2.384 -3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -11.385 2.677 -2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.528 1.314 -2.478 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -16.225 1.243 -2.295 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -14.529 0.751 -2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -15.309 1.819 -0.882 1.00 0.00 H new ATOM 358 N LEU A 26 -10.990 2.838 -0.632 1.00 0.00 N ATOM 359 CA LEU A 26 -9.657 3.112 -0.099 1.00 0.00 C ATOM 360 C LEU A 26 -8.507 2.609 -0.929 1.00 0.00 C ATOM 361 O LEU A 26 -8.625 2.254 -2.099 1.00 0.00 O ATOM 362 CB LEU A 26 -9.565 2.453 1.254 1.00 0.00 C ATOM 363 CG LEU A 26 -10.914 2.314 1.892 1.00 0.00 C ATOM 364 CD1 LEU A 26 -11.209 0.875 2.238 1.00 0.00 C ATOM 365 CD2 LEU A 26 -11.051 3.219 3.104 1.00 0.00 C ATOM 0 H LEU A 26 -11.036 2.087 -1.321 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.559 4.197 -0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.108 1.469 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.914 3.040 1.902 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.658 2.635 1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.194 0.806 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.190 0.271 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.456 0.507 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.041 3.093 3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.292 2.957 3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.918 4.257 2.800 1.00 0.00 H new ATOM 377 N GLN A 27 -7.386 2.598 -0.240 1.00 0.00 N ATOM 378 CA GLN A 27 -6.110 2.153 -0.783 1.00 0.00 C ATOM 379 C GLN A 27 -5.004 2.369 0.248 1.00 0.00 C ATOM 380 O GLN A 27 -4.470 3.471 0.382 1.00 0.00 O ATOM 381 CB GLN A 27 -5.789 2.903 -2.072 1.00 0.00 C ATOM 382 CG GLN A 27 -4.332 2.795 -2.491 1.00 0.00 C ATOM 383 CD GLN A 27 -4.167 2.601 -3.986 1.00 0.00 C ATOM 384 OE1 GLN A 27 -3.240 1.929 -4.438 1.00 0.00 O ATOM 385 NE2 GLN A 27 -5.066 3.194 -4.762 1.00 0.00 N ATOM 0 H GLN A 27 -7.330 2.903 0.732 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.176 1.090 -1.013 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.419 2.517 -2.874 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.045 3.955 -1.944 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.802 3.697 -2.185 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.868 1.959 -1.967 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.818 3.742 -4.344 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.005 3.102 -5.776 1.00 0.00 H new ATOM 394 N CYS A 28 -4.682 1.311 0.982 1.00 0.00 N ATOM 395 CA CYS A 28 -3.660 1.371 2.020 1.00 0.00 C ATOM 396 C CYS A 28 -2.421 2.108 1.520 1.00 0.00 C ATOM 397 O CYS A 28 -1.654 1.571 0.721 1.00 0.00 O ATOM 398 CB CYS A 28 -3.272 -0.040 2.478 1.00 0.00 C ATOM 399 SG CYS A 28 -4.235 -0.661 3.897 1.00 0.00 S ATOM 0 H CYS A 28 -5.117 0.395 0.876 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.076 1.917 2.866 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.396 -0.728 1.641 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.214 -0.046 2.741 1.00 0.00 H new ATOM 404 N MET A 29 -2.228 3.338 1.989 1.00 0.00 N ATOM 405 CA MET A 29 -1.075 4.134 1.573 1.00 0.00 C ATOM 406 C MET A 29 -0.347 4.734 2.773 1.00 0.00 C ATOM 407 O MET A 29 -0.963 5.065 3.787 1.00 0.00 O ATOM 408 CB MET A 29 -1.512 5.246 0.617 1.00 0.00 C ATOM 409 CG MET A 29 -1.419 4.859 -0.852 1.00 0.00 C ATOM 410 SD MET A 29 -2.456 5.886 -1.911 1.00 0.00 S ATOM 411 CE MET A 29 -1.466 5.954 -3.403 1.00 0.00 C ATOM 0 H MET A 29 -2.849 3.803 2.652 1.00 0.00 H new ATOM 0 HA MET A 29 -0.383 3.468 1.057 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.540 5.527 0.846 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.895 6.127 0.792 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.382 4.938 -1.179 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.711 3.815 -0.967 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.979 6.557 -4.153 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.498 6.402 -3.177 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.318 4.945 -3.788 1.00 0.00 H new ATOM 421 N GLY A 30 0.971 4.873 2.648 1.00 0.00 N ATOM 422 CA GLY A 30 1.769 5.432 3.725 1.00 0.00 C ATOM 423 C GLY A 30 3.176 4.867 3.755 1.00 0.00 C ATOM 424 O GLY A 30 3.669 4.359 2.748 1.00 0.00 O ATOM 0 H GLY A 30 1.501 4.608 1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.818 6.515 3.613 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.279 5.232 4.678 1.00 0.00 H new ATOM 428 N CYS A 31 3.826 4.952 4.912 1.00 0.00 N ATOM 429 CA CYS A 31 5.185 4.441 5.062 1.00 0.00 C ATOM 430 C CYS A 31 5.327 3.624 6.343 1.00 0.00 C ATOM 431 O CYS A 31 5.212 4.156 7.448 1.00 0.00 O ATOM 432 CB CYS A 31 6.191 5.594 5.065 1.00 0.00 C ATOM 433 SG CYS A 31 7.757 5.215 5.919 1.00 0.00 S ATOM 0 H CYS A 31 3.435 5.369 5.757 1.00 0.00 H new ATOM 0 HA CYS A 31 5.392 3.789 4.214 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.410 5.873 4.034 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.732 6.461 5.539 1.00 0.00 H new ATOM 438 N CYS A 32 5.582 2.329 6.187 1.00 0.00 N ATOM 439 CA CYS A 32 5.745 1.439 7.331 1.00 0.00 C ATOM 440 C CYS A 32 6.987 1.811 8.136 1.00 0.00 C ATOM 441 O CYS A 32 7.898 0.999 8.305 1.00 0.00 O ATOM 442 CB CYS A 32 5.838 -0.017 6.865 1.00 0.00 C ATOM 443 SG CYS A 32 4.403 -0.581 5.890 1.00 0.00 S ATOM 0 H CYS A 32 5.680 1.873 5.280 1.00 0.00 H new ATOM 0 HA CYS A 32 4.872 1.550 7.974 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.741 -0.138 6.266 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.946 -0.660 7.738 1.00 0.00 H new ATOM 448 N PHE A 33 7.014 3.046 8.632 1.00 0.00 N ATOM 449 CA PHE A 33 8.138 3.533 9.425 1.00 0.00 C ATOM 450 C PHE A 33 9.458 3.337 8.684 1.00 0.00 C ATOM 451 O PHE A 33 9.939 4.245 8.008 1.00 0.00 O ATOM 452 CB PHE A 33 8.180 2.820 10.778 1.00 0.00 C ATOM 453 CG PHE A 33 6.959 3.062 11.619 1.00 0.00 C ATOM 454 CD1 PHE A 33 6.104 4.115 11.334 1.00 0.00 C ATOM 455 CD2 PHE A 33 6.665 2.237 12.693 1.00 0.00 C ATOM 456 CE1 PHE A 33 4.979 4.341 12.104 1.00 0.00 C ATOM 457 CE2 PHE A 33 5.541 2.459 13.468 1.00 0.00 C ATOM 458 CZ PHE A 33 4.698 3.512 13.173 1.00 0.00 C ATOM 0 H PHE A 33 6.268 3.728 8.498 1.00 0.00 H new ATOM 0 HA PHE A 33 7.998 4.601 9.591 1.00 0.00 H new ATOM 0 HB2 PHE A 33 8.291 1.748 10.612 1.00 0.00 H new ATOM 0 HB3 PHE A 33 9.062 3.151 11.327 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.320 4.767 10.500 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.321 1.412 12.927 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.320 5.164 11.871 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.323 1.809 14.303 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.820 3.687 13.777 1.00 0.00 H new ATOM 468 N SER A 34 10.034 2.144 8.823 1.00 0.00 N ATOM 469 CA SER A 34 11.302 1.802 8.177 1.00 0.00 C ATOM 470 C SER A 34 11.841 2.953 7.330 1.00 0.00 C ATOM 471 O SER A 34 12.641 3.762 7.804 1.00 0.00 O ATOM 472 CB SER A 34 11.130 0.552 7.313 1.00 0.00 C ATOM 473 OG SER A 34 10.576 -0.513 8.066 1.00 0.00 O ATOM 0 H SER A 34 9.638 1.390 9.384 1.00 0.00 H new ATOM 0 HA SER A 34 12.029 1.605 8.965 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.483 0.778 6.465 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.095 0.251 6.906 1.00 0.00 H new ATOM 0 HG SER A 34 9.646 -0.304 8.293 1.00 0.00 H new ATOM 479 N ARG A 35 11.407 3.020 6.076 1.00 0.00 N ATOM 480 CA ARG A 35 11.857 4.071 5.171 1.00 0.00 C ATOM 481 C ARG A 35 11.160 3.962 3.817 1.00 0.00 C ATOM 482 O ARG A 35 10.173 3.241 3.674 1.00 0.00 O ATOM 483 CB ARG A 35 13.375 3.991 4.989 1.00 0.00 C ATOM 484 CG ARG A 35 14.147 4.886 5.945 1.00 0.00 C ATOM 485 CD ARG A 35 14.958 5.932 5.197 1.00 0.00 C ATOM 486 NE ARG A 35 14.262 7.214 5.122 1.00 0.00 N ATOM 487 CZ ARG A 35 14.646 8.309 5.776 1.00 0.00 C ATOM 488 NH1 ARG A 35 15.712 8.281 6.566 1.00 0.00 N ATOM 489 NH2 ARG A 35 13.957 9.435 5.646 1.00 0.00 N ATOM 0 H ARG A 35 10.746 2.361 5.664 1.00 0.00 H new ATOM 0 HA ARG A 35 11.599 5.035 5.610 1.00 0.00 H new ATOM 0 HB2 ARG A 35 13.696 2.959 5.130 1.00 0.00 H new ATOM 0 HB3 ARG A 35 13.625 4.265 3.964 1.00 0.00 H new ATOM 0 HG2 ARG A 35 13.452 5.380 6.624 1.00 0.00 H new ATOM 0 HG3 ARG A 35 14.813 4.278 6.557 1.00 0.00 H new ATOM 0 HD2 ARG A 35 15.918 6.070 5.694 1.00 0.00 H new ATOM 0 HD3 ARG A 35 15.169 5.575 4.189 1.00 0.00 H new ATOM 0 HE ARG A 35 13.431 7.274 4.533 1.00 0.00 H new ATOM 0 HH11 ARG A 35 16.243 7.417 6.675 1.00 0.00 H new ATOM 0 HH12 ARG A 35 16.000 9.123 7.064 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.133 9.462 5.045 1.00 0.00 H new ATOM 0 HH22 ARG A 35 14.251 10.274 6.147 1.00 0.00 H new ATOM 503 N ALA A 36 11.679 4.684 2.827 1.00 0.00 N ATOM 504 CA ALA A 36 11.106 4.669 1.484 1.00 0.00 C ATOM 505 C ALA A 36 9.709 5.280 1.476 1.00 0.00 C ATOM 506 O ALA A 36 8.935 5.092 2.416 1.00 0.00 O ATOM 507 CB ALA A 36 11.066 3.248 0.944 1.00 0.00 C ATOM 0 H ALA A 36 12.495 5.287 2.930 1.00 0.00 H new ATOM 0 HA ALA A 36 11.742 5.274 0.838 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.637 3.251 -0.058 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.078 2.846 0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.455 2.627 1.599 1.00 0.00 H new ATOM 513 N TYR A 37 9.387 6.009 0.410 1.00 0.00 N ATOM 514 CA TYR A 37 8.078 6.642 0.292 1.00 0.00 C ATOM 515 C TYR A 37 7.187 5.889 -0.691 1.00 0.00 C ATOM 516 O TYR A 37 6.062 5.516 -0.357 1.00 0.00 O ATOM 517 CB TYR A 37 8.215 8.103 -0.145 1.00 0.00 C ATOM 518 CG TYR A 37 9.223 8.889 0.662 1.00 0.00 C ATOM 519 CD1 TYR A 37 10.569 8.543 0.662 1.00 0.00 C ATOM 520 CD2 TYR A 37 8.827 9.982 1.420 1.00 0.00 C ATOM 521 CE1 TYR A 37 11.491 9.264 1.396 1.00 0.00 C ATOM 522 CE2 TYR A 37 9.743 10.709 2.156 1.00 0.00 C ATOM 523 CZ TYR A 37 11.072 10.346 2.141 1.00 0.00 C ATOM 524 OH TYR A 37 11.986 11.070 2.871 1.00 0.00 O ATOM 0 H TYR A 37 10.011 6.175 -0.380 1.00 0.00 H new ATOM 0 HA TYR A 37 7.611 6.611 1.276 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.502 8.133 -1.196 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.242 8.589 -0.067 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.900 7.696 0.079 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.786 10.269 1.435 1.00 0.00 H new ATOM 0 HE1 TYR A 37 12.533 8.982 1.386 1.00 0.00 H new ATOM 0 HE2 TYR A 37 9.419 11.558 2.740 1.00 0.00 H new ATOM 0 HH TYR A 37 11.528 11.800 3.338 1.00 0.00 H new ATOM 534 N PRO A 38 7.674 5.652 -1.922 1.00 0.00 N ATOM 535 CA PRO A 38 6.904 4.939 -2.945 1.00 0.00 C ATOM 536 C PRO A 38 6.415 3.583 -2.452 1.00 0.00 C ATOM 537 O PRO A 38 7.214 2.724 -2.079 1.00 0.00 O ATOM 538 CB PRO A 38 7.901 4.763 -4.093 1.00 0.00 C ATOM 539 CG PRO A 38 8.901 5.847 -3.899 1.00 0.00 C ATOM 540 CD PRO A 38 9.004 6.055 -2.413 1.00 0.00 C ATOM 0 HA PRO A 38 6.004 5.484 -3.231 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.372 3.780 -4.061 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.408 4.849 -5.061 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.866 5.568 -4.322 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.586 6.762 -4.400 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.796 5.447 -1.975 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.226 7.093 -2.166 1.00 0.00 H new ATOM 548 N THR A 39 5.099 3.397 -2.453 1.00 0.00 N ATOM 549 CA THR A 39 4.504 2.143 -2.005 1.00 0.00 C ATOM 550 C THR A 39 5.437 0.968 -2.296 1.00 0.00 C ATOM 551 O THR A 39 5.954 0.834 -3.404 1.00 0.00 O ATOM 552 CB THR A 39 3.146 1.933 -2.687 1.00 0.00 C ATOM 553 OG1 THR A 39 2.107 1.876 -1.725 1.00 0.00 O ATOM 554 CG2 THR A 39 3.068 0.670 -3.519 1.00 0.00 C ATOM 0 H THR A 39 4.425 4.098 -2.759 1.00 0.00 H new ATOM 0 HA THR A 39 4.352 2.196 -0.927 1.00 0.00 H new ATOM 0 HB THR A 39 3.029 2.788 -3.353 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.248 1.743 -2.178 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.078 0.591 -3.969 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.822 0.705 -4.305 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.247 -0.197 -2.883 1.00 0.00 H new ATOM 562 N PRO A 40 5.667 0.106 -1.294 1.00 0.00 N ATOM 563 CA PRO A 40 6.545 -1.061 -1.429 1.00 0.00 C ATOM 564 C PRO A 40 6.170 -1.932 -2.623 1.00 0.00 C ATOM 565 O PRO A 40 4.994 -2.213 -2.856 1.00 0.00 O ATOM 566 CB PRO A 40 6.348 -1.830 -0.113 1.00 0.00 C ATOM 567 CG PRO A 40 5.148 -1.219 0.534 1.00 0.00 C ATOM 568 CD PRO A 40 5.092 0.201 0.051 1.00 0.00 C ATOM 0 HA PRO A 40 7.580 -0.767 -1.605 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.194 -2.893 -0.299 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.226 -1.742 0.527 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.241 -1.759 0.262 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.229 -1.258 1.620 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.071 0.581 0.029 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.667 0.870 0.691 1.00 0.00 H new ATOM 576 N LEU A 41 7.178 -2.348 -3.384 1.00 0.00 N ATOM 577 CA LEU A 41 6.956 -3.177 -4.562 1.00 0.00 C ATOM 578 C LEU A 41 7.306 -4.639 -4.286 1.00 0.00 C ATOM 579 O LEU A 41 6.534 -5.363 -3.658 1.00 0.00 O ATOM 580 CB LEU A 41 7.783 -2.651 -5.737 1.00 0.00 C ATOM 581 CG LEU A 41 7.517 -1.195 -6.118 1.00 0.00 C ATOM 582 CD1 LEU A 41 8.760 -0.350 -5.887 1.00 0.00 C ATOM 583 CD2 LEU A 41 7.066 -1.099 -7.567 1.00 0.00 C ATOM 0 H LEU A 41 8.157 -2.124 -3.205 1.00 0.00 H new ATOM 0 HA LEU A 41 5.897 -3.126 -4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.840 -2.759 -5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.590 -3.279 -6.607 1.00 0.00 H new ATOM 0 HG LEU A 41 6.718 -0.811 -5.484 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.554 0.684 -6.163 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.040 -0.395 -4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.578 -0.732 -6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.881 -0.056 -7.822 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.844 -1.499 -8.217 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.150 -1.674 -7.702 1.00 0.00 H new ATOM 595 N ARG A 42 8.473 -5.066 -4.761 1.00 0.00 N ATOM 596 CA ARG A 42 8.927 -6.437 -4.569 1.00 0.00 C ATOM 597 C ARG A 42 10.445 -6.481 -4.435 1.00 0.00 C ATOM 598 O ARG A 42 10.983 -7.141 -3.545 1.00 0.00 O ATOM 599 CB ARG A 42 8.477 -7.310 -5.743 1.00 0.00 C ATOM 600 CG ARG A 42 9.201 -8.643 -5.827 1.00 0.00 C ATOM 601 CD ARG A 42 8.339 -9.698 -6.501 1.00 0.00 C ATOM 602 NE ARG A 42 8.711 -11.051 -6.097 1.00 0.00 N ATOM 603 CZ ARG A 42 9.430 -11.877 -6.852 1.00 0.00 C ATOM 604 NH1 ARG A 42 9.873 -11.486 -8.040 1.00 0.00 N ATOM 605 NH2 ARG A 42 9.711 -13.097 -6.413 1.00 0.00 N ATOM 0 H ARG A 42 9.123 -4.478 -5.284 1.00 0.00 H new ATOM 0 HA ARG A 42 8.485 -6.824 -3.651 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.406 -7.493 -5.658 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.634 -6.762 -6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 42 10.130 -8.520 -6.383 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.471 -8.977 -4.825 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.292 -9.522 -6.255 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.432 -9.605 -7.583 1.00 0.00 H new ATOM 0 HE ARG A 42 8.402 -11.382 -5.183 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.663 -10.547 -8.379 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.424 -12.124 -8.614 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.376 -13.400 -5.498 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.262 -13.732 -6.990 1.00 0.00 H new ATOM 619 N SER A 43 11.128 -5.768 -5.325 1.00 0.00 N ATOM 620 CA SER A 43 12.585 -5.712 -5.314 1.00 0.00 C ATOM 621 C SER A 43 13.086 -4.574 -6.198 1.00 0.00 C ATOM 622 O SER A 43 13.557 -4.803 -7.312 1.00 0.00 O ATOM 623 CB SER A 43 13.175 -7.040 -5.791 1.00 0.00 C ATOM 624 OG SER A 43 13.007 -8.053 -4.815 1.00 0.00 O ATOM 0 H SER A 43 10.693 -5.219 -6.066 1.00 0.00 H new ATOM 0 HA SER A 43 12.910 -5.529 -4.290 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.693 -7.343 -6.720 1.00 0.00 H new ATOM 0 HB3 SER A 43 14.235 -6.913 -6.009 1.00 0.00 H new ATOM 0 HG SER A 43 12.538 -7.684 -4.038 1.00 0.00 H new ATOM 630 N LYS A 44 12.980 -3.348 -5.695 1.00 0.00 N ATOM 631 CA LYS A 44 13.423 -2.176 -6.443 1.00 0.00 C ATOM 632 C LYS A 44 13.933 -1.090 -5.504 1.00 0.00 C ATOM 633 O LYS A 44 13.267 -0.079 -5.286 1.00 0.00 O ATOM 634 CB LYS A 44 12.283 -1.629 -7.303 1.00 0.00 C ATOM 635 CG LYS A 44 12.760 -0.885 -8.541 1.00 0.00 C ATOM 636 CD LYS A 44 11.620 -0.154 -9.230 1.00 0.00 C ATOM 637 CE LYS A 44 12.132 0.782 -10.312 1.00 0.00 C ATOM 638 NZ LYS A 44 12.100 0.144 -11.656 1.00 0.00 N ATOM 0 H LYS A 44 12.592 -3.140 -4.775 1.00 0.00 H new ATOM 0 HA LYS A 44 14.243 -2.483 -7.093 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.641 -2.455 -7.610 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.672 -0.958 -6.699 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.534 -0.171 -8.261 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.214 -1.590 -9.237 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.934 -0.879 -9.669 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.053 0.415 -8.493 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.526 1.688 -10.325 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.153 1.085 -10.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.457 0.814 -12.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.698 -0.707 -11.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.122 -0.122 -11.891 1.00 0.00 H new ATOM 652 N LYS A 45 15.120 -1.309 -4.952 1.00 0.00 N ATOM 653 CA LYS A 45 15.727 -0.353 -4.037 1.00 0.00 C ATOM 654 C LYS A 45 17.248 -0.408 -4.132 1.00 0.00 C ATOM 655 O LYS A 45 17.808 -1.323 -4.735 1.00 0.00 O ATOM 656 CB LYS A 45 15.285 -0.639 -2.601 1.00 0.00 C ATOM 657 CG LYS A 45 13.965 0.017 -2.225 1.00 0.00 C ATOM 658 CD LYS A 45 13.247 -0.760 -1.131 1.00 0.00 C ATOM 659 CE LYS A 45 14.231 -1.379 -0.149 1.00 0.00 C ATOM 660 NZ LYS A 45 13.753 -1.287 1.259 1.00 0.00 N ATOM 0 H LYS A 45 15.682 -2.143 -5.123 1.00 0.00 H new ATOM 0 HA LYS A 45 15.396 0.646 -4.319 1.00 0.00 H new ATOM 0 HB2 LYS A 45 15.196 -1.717 -2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 45 16.060 -0.294 -1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 45 14.148 1.037 -1.888 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.326 0.082 -3.106 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.568 -0.095 -0.597 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.638 -1.544 -1.580 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.392 -2.425 -0.409 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.195 -0.877 -0.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.454 -1.721 1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.624 -0.288 1.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.846 -1.788 1.351 1.00 0.00 H new ATOM 674 N THR A 46 17.912 0.573 -3.530 1.00 0.00 N ATOM 675 CA THR A 46 19.368 0.629 -3.548 1.00 0.00 C ATOM 676 C THR A 46 19.873 1.933 -2.937 1.00 0.00 C ATOM 677 O THR A 46 20.807 1.931 -2.135 1.00 0.00 O ATOM 678 CB THR A 46 19.889 0.471 -4.981 1.00 0.00 C ATOM 679 OG1 THR A 46 20.846 -0.570 -5.051 1.00 0.00 O ATOM 680 CG2 THR A 46 20.535 1.723 -5.540 1.00 0.00 C ATOM 0 H THR A 46 17.466 1.338 -3.025 1.00 0.00 H new ATOM 0 HA THR A 46 19.748 -0.195 -2.944 1.00 0.00 H new ATOM 0 HB THR A 46 19.006 0.246 -5.579 1.00 0.00 H new ATOM 0 HG1 THR A 46 21.167 -0.658 -5.973 1.00 0.00 H new ATOM 0 HG21 THR A 46 20.878 1.532 -6.557 1.00 0.00 H new ATOM 0 HG22 THR A 46 19.808 2.535 -5.549 1.00 0.00 H new ATOM 0 HG23 THR A 46 21.384 2.003 -4.917 1.00 0.00 H new ATOM 688 N MET A 47 19.251 3.043 -3.318 1.00 0.00 N ATOM 689 CA MET A 47 19.643 4.349 -2.803 1.00 0.00 C ATOM 690 C MET A 47 19.440 4.422 -1.293 1.00 0.00 C ATOM 691 O MET A 47 18.478 3.871 -0.757 1.00 0.00 O ATOM 692 CB MET A 47 18.845 5.457 -3.493 1.00 0.00 C ATOM 693 CG MET A 47 17.396 5.543 -3.041 1.00 0.00 C ATOM 694 SD MET A 47 16.321 6.258 -4.301 1.00 0.00 S ATOM 695 CE MET A 47 14.704 5.964 -3.589 1.00 0.00 C ATOM 0 H MET A 47 18.475 3.065 -3.980 1.00 0.00 H new ATOM 0 HA MET A 47 20.703 4.491 -3.016 1.00 0.00 H new ATOM 0 HB2 MET A 47 19.332 6.414 -3.304 1.00 0.00 H new ATOM 0 HB3 MET A 47 18.871 5.293 -4.570 1.00 0.00 H new ATOM 0 HG2 MET A 47 17.038 4.545 -2.786 1.00 0.00 H new ATOM 0 HG3 MET A 47 17.337 6.144 -2.134 1.00 0.00 H new ATOM 0 HE1 MET A 47 13.936 6.353 -4.257 1.00 0.00 H new ATOM 0 HE2 MET A 47 14.556 4.893 -3.451 1.00 0.00 H new ATOM 0 HE3 MET A 47 14.634 6.467 -2.624 1.00 0.00 H new ATOM 705 N LEU A 48 20.356 5.103 -0.614 1.00 0.00 N ATOM 706 CA LEU A 48 20.285 5.250 0.835 1.00 0.00 C ATOM 707 C LEU A 48 20.471 3.904 1.529 1.00 0.00 C ATOM 708 O LEU A 48 19.645 3.495 2.343 1.00 0.00 O ATOM 709 CB LEU A 48 18.950 5.877 1.244 1.00 0.00 C ATOM 710 CG LEU A 48 19.057 7.278 1.849 1.00 0.00 C ATOM 711 CD1 LEU A 48 18.410 8.308 0.936 1.00 0.00 C ATOM 712 CD2 LEU A 48 18.417 7.313 3.229 1.00 0.00 C ATOM 0 H LEU A 48 21.158 5.563 -1.045 1.00 0.00 H new ATOM 0 HA LEU A 48 21.093 5.911 1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 48 18.303 5.923 0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 48 18.463 5.221 1.966 1.00 0.00 H new ATOM 0 HG LEU A 48 20.113 7.527 1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 48 18.497 9.298 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 48 18.912 8.303 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 48 17.357 8.063 0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 48 18.502 8.317 3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 48 17.364 7.042 3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 48 18.925 6.605 3.884 1.00 0.00 H new ATOM 724 N VAL A 49 21.567 3.228 1.195 1.00 0.00 N ATOM 725 CA VAL A 49 21.892 1.925 1.771 1.00 0.00 C ATOM 726 C VAL A 49 22.670 1.078 0.770 1.00 0.00 C ATOM 727 O VAL A 49 22.386 1.100 -0.428 1.00 0.00 O ATOM 728 CB VAL A 49 20.631 1.154 2.206 1.00 0.00 C ATOM 729 CG1 VAL A 49 19.661 1.016 1.044 1.00 0.00 C ATOM 730 CG2 VAL A 49 21.009 -0.213 2.758 1.00 0.00 C ATOM 0 H VAL A 49 22.253 3.566 0.520 1.00 0.00 H new ATOM 0 HA VAL A 49 22.502 2.114 2.654 1.00 0.00 H new ATOM 0 HB VAL A 49 20.136 1.718 2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 49 18.777 0.469 1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 49 19.367 2.006 0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 49 20.143 0.474 0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 49 20.107 -0.745 3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 49 21.527 -0.786 1.989 1.00 0.00 H new ATOM 0 HG23 VAL A 49 21.664 -0.089 3.620 1.00 0.00 H new ATOM 740 N GLN A 50 23.657 0.339 1.264 1.00 0.00 N ATOM 741 CA GLN A 50 24.482 -0.507 0.407 1.00 0.00 C ATOM 742 C GLN A 50 23.768 -1.810 0.062 1.00 0.00 C ATOM 743 O GLN A 50 22.549 -1.913 0.188 1.00 0.00 O ATOM 744 CB GLN A 50 25.818 -0.806 1.087 1.00 0.00 C ATOM 745 CG GLN A 50 26.980 -0.018 0.507 1.00 0.00 C ATOM 746 CD GLN A 50 26.639 1.444 0.299 1.00 0.00 C ATOM 747 OE1 GLN A 50 26.536 1.916 -0.833 1.00 0.00 O ATOM 748 NE2 GLN A 50 26.460 2.169 1.395 1.00 0.00 N ATOM 0 H GLN A 50 23.906 0.308 2.253 1.00 0.00 H new ATOM 0 HA GLN A 50 24.665 0.035 -0.521 1.00 0.00 H new ATOM 0 HB2 GLN A 50 25.733 -0.584 2.151 1.00 0.00 H new ATOM 0 HB3 GLN A 50 26.031 -1.871 0.999 1.00 0.00 H new ATOM 0 HG2 GLN A 50 27.838 -0.097 1.174 1.00 0.00 H new ATOM 0 HG3 GLN A 50 27.275 -0.459 -0.445 1.00 0.00 H new ATOM 0 HE21 GLN A 50 26.555 1.736 2.314 1.00 0.00 H new ATOM 0 HE22 GLN A 50 26.227 3.159 1.319 1.00 0.00 H new ATOM 757 N LYS A 51 24.539 -2.802 -0.377 1.00 0.00 N ATOM 758 CA LYS A 51 23.986 -4.101 -0.743 1.00 0.00 C ATOM 759 C LYS A 51 23.917 -5.026 0.468 1.00 0.00 C ATOM 760 O LYS A 51 23.960 -6.248 0.330 1.00 0.00 O ATOM 761 CB LYS A 51 24.833 -4.750 -1.842 1.00 0.00 C ATOM 762 CG LYS A 51 24.944 -3.911 -3.106 1.00 0.00 C ATOM 763 CD LYS A 51 25.876 -4.556 -4.122 1.00 0.00 C ATOM 764 CE LYS A 51 27.333 -4.228 -3.835 1.00 0.00 C ATOM 765 NZ LYS A 51 27.698 -2.863 -4.303 1.00 0.00 N ATOM 0 H LYS A 51 25.550 -2.730 -0.488 1.00 0.00 H new ATOM 0 HA LYS A 51 22.974 -3.942 -1.116 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.834 -4.939 -1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 51 24.402 -5.718 -2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 51 23.956 -3.783 -3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.312 -2.917 -2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 51 25.737 -5.637 -4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 51 25.616 -4.213 -5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 51 27.518 -4.306 -2.764 1.00 0.00 H new ATOM 0 HE3 LYS A 51 27.973 -4.962 -4.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 28.699 -2.679 -4.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 27.546 -2.796 -5.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 27.105 -2.160 -3.818 1.00 0.00 H new ATOM 779 N ASN A 52 23.814 -4.438 1.655 1.00 0.00 N ATOM 780 CA ASN A 52 23.744 -5.217 2.886 1.00 0.00 C ATOM 781 C ASN A 52 22.300 -5.385 3.349 1.00 0.00 C ATOM 782 O ASN A 52 21.665 -4.429 3.794 1.00 0.00 O ATOM 783 CB ASN A 52 24.568 -4.550 3.990 1.00 0.00 C ATOM 784 CG ASN A 52 25.592 -3.577 3.442 1.00 0.00 C ATOM 785 OD1 ASN A 52 26.389 -3.923 2.569 1.00 0.00 O ATOM 786 ND2 ASN A 52 25.573 -2.350 3.951 1.00 0.00 N ATOM 0 H ASN A 52 23.777 -3.428 1.791 1.00 0.00 H new ATOM 0 HA ASN A 52 24.157 -6.204 2.679 1.00 0.00 H new ATOM 0 HB2 ASN A 52 23.899 -4.023 4.671 1.00 0.00 H new ATOM 0 HB3 ASN A 52 25.077 -5.317 4.573 1.00 0.00 H new ATOM 0 HD21 ASN A 52 26.237 -1.650 3.620 1.00 0.00 H new ATOM 0 HD22 ASN A 52 24.895 -2.108 4.673 1.00 0.00 H new ATOM 793 N VAL A 53 21.790 -6.607 3.246 1.00 0.00 N ATOM 794 CA VAL A 53 20.424 -6.905 3.660 1.00 0.00 C ATOM 795 C VAL A 53 20.358 -8.243 4.388 1.00 0.00 C ATOM 796 O VAL A 53 21.286 -9.048 4.312 1.00 0.00 O ATOM 797 CB VAL A 53 19.461 -6.937 2.459 1.00 0.00 C ATOM 798 CG1 VAL A 53 18.020 -6.984 2.939 1.00 0.00 C ATOM 799 CG2 VAL A 53 19.690 -5.735 1.555 1.00 0.00 C ATOM 0 H VAL A 53 22.303 -7.409 2.879 1.00 0.00 H new ATOM 0 HA VAL A 53 20.116 -6.106 4.335 1.00 0.00 H new ATOM 0 HB VAL A 53 19.660 -7.838 1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 53 17.351 -7.006 2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 53 17.866 -7.879 3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 53 17.808 -6.100 3.541 1.00 0.00 H new ATOM 0 HG21 VAL A 53 19.000 -5.777 0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 53 19.520 -4.818 2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 53 20.715 -5.748 1.185 1.00 0.00 H new ATOM 809 N THR A 54 19.258 -8.473 5.098 1.00 0.00 N ATOM 810 CA THR A 54 19.078 -9.713 5.846 1.00 0.00 C ATOM 811 C THR A 54 18.014 -10.598 5.200 1.00 0.00 C ATOM 812 O THR A 54 18.313 -11.410 4.325 1.00 0.00 O ATOM 813 CB THR A 54 18.690 -9.403 7.292 1.00 0.00 C ATOM 814 OG1 THR A 54 17.623 -8.472 7.337 1.00 0.00 O ATOM 815 CG2 THR A 54 19.831 -8.833 8.109 1.00 0.00 C ATOM 0 H THR A 54 18.479 -7.819 5.171 1.00 0.00 H new ATOM 0 HA THR A 54 20.024 -10.254 5.834 1.00 0.00 H new ATOM 0 HB THR A 54 18.397 -10.360 7.724 1.00 0.00 H new ATOM 0 HG1 THR A 54 17.388 -8.288 8.271 1.00 0.00 H new ATOM 0 HG21 THR A 54 19.488 -8.636 9.125 1.00 0.00 H new ATOM 0 HG22 THR A 54 20.652 -9.549 8.136 1.00 0.00 H new ATOM 0 HG23 THR A 54 20.175 -7.904 7.655 1.00 0.00 H new ATOM 823 N SER A 55 16.769 -10.432 5.636 1.00 0.00 N ATOM 824 CA SER A 55 15.659 -11.213 5.100 1.00 0.00 C ATOM 825 C SER A 55 14.329 -10.543 5.419 1.00 0.00 C ATOM 826 O SER A 55 13.332 -11.214 5.686 1.00 0.00 O ATOM 827 CB SER A 55 15.674 -12.631 5.675 1.00 0.00 C ATOM 828 OG SER A 55 14.784 -12.745 6.773 1.00 0.00 O ATOM 0 H SER A 55 16.503 -9.764 6.359 1.00 0.00 H new ATOM 0 HA SER A 55 15.776 -11.268 4.018 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.394 -13.344 4.900 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.684 -12.887 5.994 1.00 0.00 H new ATOM 0 HG SER A 55 13.860 -12.670 6.454 1.00 0.00 H new ATOM 834 N GLU A 56 14.321 -9.215 5.393 1.00 0.00 N ATOM 835 CA GLU A 56 13.112 -8.456 5.685 1.00 0.00 C ATOM 836 C GLU A 56 12.186 -8.411 4.474 1.00 0.00 C ATOM 837 O GLU A 56 12.628 -8.564 3.334 1.00 0.00 O ATOM 838 CB GLU A 56 13.469 -7.034 6.122 1.00 0.00 C ATOM 839 CG GLU A 56 13.416 -6.828 7.628 1.00 0.00 C ATOM 840 CD GLU A 56 12.015 -6.533 8.128 1.00 0.00 C ATOM 841 OE1 GLU A 56 11.045 -6.904 7.434 1.00 0.00 O ATOM 842 OE2 GLU A 56 11.888 -5.932 9.216 1.00 0.00 O ATOM 0 H GLU A 56 15.137 -8.643 5.173 1.00 0.00 H new ATOM 0 HA GLU A 56 12.589 -8.959 6.498 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.471 -6.794 5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.785 -6.333 5.644 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.795 -7.720 8.126 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.076 -6.005 7.902 1.00 0.00 H new ATOM 849 N SER A 57 10.900 -8.196 4.733 1.00 0.00 N ATOM 850 CA SER A 57 9.902 -8.123 3.672 1.00 0.00 C ATOM 851 C SER A 57 8.533 -7.768 4.246 1.00 0.00 C ATOM 852 O SER A 57 7.782 -8.644 4.672 1.00 0.00 O ATOM 853 CB SER A 57 9.823 -9.452 2.918 1.00 0.00 C ATOM 854 OG SER A 57 9.161 -9.294 1.674 1.00 0.00 O ATOM 0 H SER A 57 10.524 -8.069 5.672 1.00 0.00 H new ATOM 0 HA SER A 57 10.203 -7.341 2.975 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.828 -9.840 2.752 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.294 -10.187 3.524 1.00 0.00 H new ATOM 0 HG SER A 57 9.125 -10.157 1.211 1.00 0.00 H new ATOM 860 N THR A 58 8.216 -6.477 4.253 1.00 0.00 N ATOM 861 CA THR A 58 6.937 -6.002 4.772 1.00 0.00 C ATOM 862 C THR A 58 6.216 -5.154 3.727 1.00 0.00 C ATOM 863 O THR A 58 6.851 -4.451 2.941 1.00 0.00 O ATOM 864 CB THR A 58 7.151 -5.192 6.051 1.00 0.00 C ATOM 865 OG1 THR A 58 8.524 -4.892 6.227 1.00 0.00 O ATOM 866 CG2 THR A 58 6.672 -5.900 7.302 1.00 0.00 C ATOM 0 H THR A 58 8.828 -5.739 3.905 1.00 0.00 H new ATOM 0 HA THR A 58 6.317 -6.868 5.004 1.00 0.00 H new ATOM 0 HB THR A 58 6.559 -4.286 5.920 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.642 -4.372 7.049 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.855 -5.268 8.171 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.604 -6.103 7.219 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.212 -6.840 7.417 1.00 0.00 H new ATOM 874 N CYS A 59 4.889 -5.232 3.716 1.00 0.00 N ATOM 875 CA CYS A 59 4.088 -4.476 2.755 1.00 0.00 C ATOM 876 C CYS A 59 2.655 -4.302 3.250 1.00 0.00 C ATOM 877 O CYS A 59 2.086 -5.203 3.865 1.00 0.00 O ATOM 878 CB CYS A 59 4.086 -5.189 1.401 1.00 0.00 C ATOM 879 SG CYS A 59 2.854 -4.551 0.220 1.00 0.00 S ATOM 0 H CYS A 59 4.346 -5.808 4.359 1.00 0.00 H new ATOM 0 HA CYS A 59 4.534 -3.488 2.645 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.077 -5.102 0.956 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.901 -6.251 1.563 1.00 0.00 H new ATOM 884 N CYS A 60 2.073 -3.139 2.971 1.00 0.00 N ATOM 885 CA CYS A 60 0.704 -2.850 3.386 1.00 0.00 C ATOM 886 C CYS A 60 -0.294 -3.599 2.511 1.00 0.00 C ATOM 887 O CYS A 60 -0.497 -3.252 1.347 1.00 0.00 O ATOM 888 CB CYS A 60 0.427 -1.348 3.313 1.00 0.00 C ATOM 889 SG CYS A 60 1.629 -0.325 4.219 1.00 0.00 S ATOM 0 H CYS A 60 2.528 -2.382 2.460 1.00 0.00 H new ATOM 0 HA CYS A 60 0.588 -3.183 4.417 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.421 -1.041 2.267 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.570 -1.154 3.708 1.00 0.00 H new ATOM 894 N VAL A 61 -0.915 -4.625 3.078 1.00 0.00 N ATOM 895 CA VAL A 61 -1.894 -5.421 2.352 1.00 0.00 C ATOM 896 C VAL A 61 -3.198 -5.528 3.131 1.00 0.00 C ATOM 897 O VAL A 61 -3.569 -6.611 3.580 1.00 0.00 O ATOM 898 CB VAL A 61 -1.367 -6.839 2.062 1.00 0.00 C ATOM 899 CG1 VAL A 61 -0.115 -6.779 1.203 1.00 0.00 C ATOM 900 CG2 VAL A 61 -1.099 -7.585 3.360 1.00 0.00 C ATOM 0 H VAL A 61 -0.757 -4.925 4.040 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.076 -4.910 1.406 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.131 -7.384 1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.242 -7.790 1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.346 -6.288 0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.658 -6.215 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.727 -8.585 3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.354 -7.044 3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.023 -7.662 3.933 1.00 0.00 H new ATOM 910 N ALA A 62 -3.884 -4.395 3.283 1.00 0.00 N ATOM 911 CA ALA A 62 -5.156 -4.341 4.004 1.00 0.00 C ATOM 912 C ALA A 62 -5.438 -5.631 4.761 1.00 0.00 C ATOM 913 O ALA A 62 -5.701 -6.671 4.158 1.00 0.00 O ATOM 914 CB ALA A 62 -6.292 -4.054 3.038 1.00 0.00 C ATOM 0 H ALA A 62 -3.577 -3.495 2.913 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.082 -3.536 4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.234 -4.016 3.585 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.119 -3.097 2.547 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.340 -4.843 2.288 1.00 0.00 H new ATOM 920 N LYS A 63 -5.410 -5.554 6.084 1.00 0.00 N ATOM 921 CA LYS A 63 -5.690 -6.712 6.909 1.00 0.00 C ATOM 922 C LYS A 63 -7.050 -7.268 6.542 1.00 0.00 C ATOM 923 O LYS A 63 -7.257 -8.479 6.489 1.00 0.00 O ATOM 924 CB LYS A 63 -5.669 -6.329 8.382 1.00 0.00 C ATOM 925 CG LYS A 63 -5.434 -7.510 9.296 1.00 0.00 C ATOM 926 CD LYS A 63 -5.569 -7.114 10.753 1.00 0.00 C ATOM 927 CE LYS A 63 -4.242 -6.646 11.323 1.00 0.00 C ATOM 928 NZ LYS A 63 -4.061 -7.078 12.735 1.00 0.00 N ATOM 0 H LYS A 63 -5.197 -4.703 6.604 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.925 -7.469 6.736 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.888 -5.587 8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.617 -5.858 8.643 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.148 -8.300 9.064 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.439 -7.918 9.118 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.309 -6.319 10.849 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.936 -7.963 11.330 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.427 -7.040 10.716 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.186 -5.559 11.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.143 -6.739 13.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.824 -6.682 13.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.089 -8.116 12.787 1.00 0.00 H new ATOM 942 N SER A 64 -7.965 -6.354 6.261 1.00 0.00 N ATOM 943 CA SER A 64 -9.310 -6.712 5.861 1.00 0.00 C ATOM 944 C SER A 64 -9.753 -5.798 4.732 1.00 0.00 C ATOM 945 O SER A 64 -9.606 -4.579 4.816 1.00 0.00 O ATOM 946 CB SER A 64 -10.285 -6.622 7.038 1.00 0.00 C ATOM 947 OG SER A 64 -10.774 -7.904 7.391 1.00 0.00 O ATOM 0 H SER A 64 -7.795 -5.349 6.304 1.00 0.00 H new ATOM 0 HA SER A 64 -9.310 -7.746 5.517 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.785 -6.171 7.895 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.118 -5.970 6.776 1.00 0.00 H new ATOM 0 HG SER A 64 -11.393 -7.821 8.146 1.00 0.00 H new ATOM 953 N TYR A 65 -10.262 -6.387 3.663 1.00 0.00 N ATOM 954 CA TYR A 65 -10.684 -5.611 2.509 1.00 0.00 C ATOM 955 C TYR A 65 -12.161 -5.775 2.219 1.00 0.00 C ATOM 956 O TYR A 65 -12.759 -6.805 2.534 1.00 0.00 O ATOM 957 CB TYR A 65 -9.903 -6.061 1.275 1.00 0.00 C ATOM 958 CG TYR A 65 -9.617 -7.546 1.256 1.00 0.00 C ATOM 959 CD1 TYR A 65 -10.554 -8.448 0.767 1.00 0.00 C ATOM 960 CD2 TYR A 65 -8.411 -8.045 1.729 1.00 0.00 C ATOM 961 CE1 TYR A 65 -10.295 -9.806 0.749 1.00 0.00 C ATOM 962 CE2 TYR A 65 -8.144 -9.401 1.715 1.00 0.00 C ATOM 963 CZ TYR A 65 -9.090 -10.276 1.224 1.00 0.00 C ATOM 964 OH TYR A 65 -8.829 -11.627 1.209 1.00 0.00 O ATOM 0 H TYR A 65 -10.393 -7.394 3.570 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.489 -4.563 2.738 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.466 -5.795 0.380 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.960 -5.516 1.232 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -11.500 -8.082 0.395 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.669 -7.362 2.115 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -11.033 -10.495 0.365 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -7.200 -9.773 2.086 1.00 0.00 H new ATOM 0 HH TYR A 65 -7.936 -11.792 1.577 1.00 0.00 H new ATOM 974 N ASN A 66 -12.734 -4.779 1.554 1.00 0.00 N ATOM 975 CA ASN A 66 -14.131 -4.860 1.155 1.00 0.00 C ATOM 976 C ASN A 66 -14.190 -4.591 -0.327 1.00 0.00 C ATOM 977 O ASN A 66 -15.184 -4.115 -0.874 1.00 0.00 O ATOM 978 CB ASN A 66 -15.002 -3.875 1.930 1.00 0.00 C ATOM 979 CG ASN A 66 -16.075 -4.561 2.749 1.00 0.00 C ATOM 980 OD1 ASN A 66 -15.893 -4.830 3.937 1.00 0.00 O ATOM 981 ND2 ASN A 66 -17.207 -4.845 2.115 1.00 0.00 N ATOM 0 H ASN A 66 -12.260 -3.918 1.283 1.00 0.00 H new ATOM 0 HA ASN A 66 -14.525 -5.851 1.382 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.371 -3.281 2.591 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.471 -3.183 1.230 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -17.969 -5.304 2.613 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -17.314 -4.604 1.130 1.00 0.00 H new ATOM 988 N ARG A 67 -13.066 -4.904 -0.935 1.00 0.00 N ATOM 989 CA ARG A 67 -12.836 -4.732 -2.361 1.00 0.00 C ATOM 990 C ARG A 67 -14.074 -4.211 -3.073 1.00 0.00 C ATOM 991 O ARG A 67 -15.137 -4.833 -3.056 1.00 0.00 O ATOM 992 CB ARG A 67 -12.373 -6.049 -2.966 1.00 0.00 C ATOM 993 CG ARG A 67 -11.082 -5.946 -3.764 1.00 0.00 C ATOM 994 CD ARG A 67 -10.768 -7.247 -4.485 1.00 0.00 C ATOM 995 NE ARG A 67 -11.382 -7.301 -5.808 1.00 0.00 N ATOM 996 CZ ARG A 67 -12.459 -8.026 -6.098 1.00 0.00 C ATOM 997 NH1 ARG A 67 -13.045 -8.763 -5.162 1.00 0.00 N ATOM 998 NH2 ARG A 67 -12.950 -8.015 -7.329 1.00 0.00 N ATOM 0 H ARG A 67 -12.263 -5.296 -0.442 1.00 0.00 H new ATOM 0 HA ARG A 67 -12.055 -3.983 -2.495 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -12.236 -6.776 -2.165 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -13.159 -6.435 -3.615 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.165 -5.137 -4.490 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.259 -5.691 -3.096 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.688 -7.356 -4.582 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.121 -8.087 -3.887 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.960 -6.750 -6.555 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.670 -8.776 -4.214 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -13.871 -9.316 -5.391 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.502 -7.451 -8.052 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.776 -8.570 -7.554 1.00 0.00 H new ATOM 1012 N VAL A 68 -13.912 -3.055 -3.692 1.00 0.00 N ATOM 1013 CA VAL A 68 -14.992 -2.400 -4.421 1.00 0.00 C ATOM 1014 C VAL A 68 -14.577 -2.113 -5.855 1.00 0.00 C ATOM 1015 O VAL A 68 -14.704 -0.986 -6.336 1.00 0.00 O ATOM 1016 CB VAL A 68 -15.398 -1.073 -3.747 1.00 0.00 C ATOM 1017 CG1 VAL A 68 -15.607 -1.262 -2.253 1.00 0.00 C ATOM 1018 CG2 VAL A 68 -14.346 -0.002 -3.998 1.00 0.00 C ATOM 0 H VAL A 68 -13.031 -2.542 -3.706 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.843 -3.081 -4.414 1.00 0.00 H new ATOM 0 HB VAL A 68 -16.341 -0.749 -4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.892 -0.311 -1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -16.397 -1.994 -2.086 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.682 -1.616 -1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -14.650 0.927 -3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -13.390 -0.328 -3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -14.244 0.163 -5.071 1.00 0.00 H new ATOM 1028 N THR A 69 -14.070 -3.137 -6.525 1.00 0.00 N ATOM 1029 CA THR A 69 -13.619 -3.004 -7.900 1.00 0.00 C ATOM 1030 C THR A 69 -14.373 -1.898 -8.622 1.00 0.00 C ATOM 1031 O THR A 69 -15.594 -1.946 -8.769 1.00 0.00 O ATOM 1032 CB THR A 69 -13.777 -4.316 -8.655 1.00 0.00 C ATOM 1033 OG1 THR A 69 -12.929 -5.313 -8.114 1.00 0.00 O ATOM 1034 CG2 THR A 69 -13.459 -4.184 -10.127 1.00 0.00 C ATOM 0 H THR A 69 -13.961 -4.073 -6.135 1.00 0.00 H new ATOM 0 HA THR A 69 -12.562 -2.741 -7.871 1.00 0.00 H new ATOM 0 HB THR A 69 -14.824 -4.598 -8.545 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.310 -5.627 -8.806 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.588 -5.150 -10.615 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.131 -3.455 -10.580 1.00 0.00 H new ATOM 0 HG23 THR A 69 -12.428 -3.852 -10.248 1.00 0.00 H new ATOM 1042 N VAL A 70 -13.624 -0.904 -9.060 1.00 0.00 N ATOM 1043 CA VAL A 70 -14.186 0.239 -9.766 1.00 0.00 C ATOM 1044 C VAL A 70 -13.432 0.506 -11.057 1.00 0.00 C ATOM 1045 O VAL A 70 -12.602 -0.294 -11.488 1.00 0.00 O ATOM 1046 CB VAL A 70 -14.139 1.516 -8.905 1.00 0.00 C ATOM 1047 CG1 VAL A 70 -15.484 2.225 -8.917 1.00 0.00 C ATOM 1048 CG2 VAL A 70 -13.715 1.194 -7.480 1.00 0.00 C ATOM 0 H VAL A 70 -12.612 -0.863 -8.939 1.00 0.00 H new ATOM 0 HA VAL A 70 -15.224 -0.011 -9.986 1.00 0.00 H new ATOM 0 HB VAL A 70 -13.396 2.186 -9.337 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -15.427 3.124 -8.303 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -15.741 2.500 -9.940 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -16.249 1.560 -8.517 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -13.689 2.111 -6.892 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -14.428 0.499 -7.037 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -12.724 0.741 -7.489 1.00 0.00 H new ATOM 1058 N MET A 71 -13.730 1.641 -11.664 1.00 0.00 N ATOM 1059 CA MET A 71 -13.086 2.036 -12.908 1.00 0.00 C ATOM 1060 C MET A 71 -13.092 0.895 -13.907 1.00 0.00 C ATOM 1061 O MET A 71 -14.126 0.276 -14.157 1.00 0.00 O ATOM 1062 CB MET A 71 -11.651 2.486 -12.645 1.00 0.00 C ATOM 1063 CG MET A 71 -11.569 3.684 -11.734 1.00 0.00 C ATOM 1064 SD MET A 71 -9.877 4.224 -11.430 1.00 0.00 S ATOM 1065 CE MET A 71 -9.714 5.516 -12.660 1.00 0.00 C ATOM 0 H MET A 71 -14.417 2.309 -11.315 1.00 0.00 H new ATOM 0 HA MET A 71 -13.650 2.869 -13.329 1.00 0.00 H new ATOM 0 HB2 MET A 71 -11.092 1.661 -12.203 1.00 0.00 H new ATOM 0 HB3 MET A 71 -11.171 2.724 -13.594 1.00 0.00 H new ATOM 0 HG2 MET A 71 -12.134 4.507 -12.173 1.00 0.00 H new ATOM 0 HG3 MET A 71 -12.044 3.443 -10.783 1.00 0.00 H new ATOM 0 HE1 MET A 71 -8.717 5.952 -12.600 1.00 0.00 H new ATOM 0 HE2 MET A 71 -9.867 5.094 -13.653 1.00 0.00 H new ATOM 0 HE3 MET A 71 -10.460 6.290 -12.476 1.00 0.00 H new ATOM 1075 N GLY A 72 -11.930 0.626 -14.477 1.00 0.00 N ATOM 1076 CA GLY A 72 -11.815 -0.432 -15.443 1.00 0.00 C ATOM 1077 C GLY A 72 -11.560 -1.783 -14.802 1.00 0.00 C ATOM 1078 O GLY A 72 -11.085 -2.710 -15.459 1.00 0.00 O ATOM 0 H GLY A 72 -11.063 1.127 -14.284 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.730 -0.481 -16.033 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.003 -0.202 -16.133 1.00 0.00 H new ATOM 1082 N GLY A 73 -11.874 -1.893 -13.515 1.00 0.00 N ATOM 1083 CA GLY A 73 -11.669 -3.140 -12.802 1.00 0.00 C ATOM 1084 C GLY A 73 -10.706 -2.990 -11.641 1.00 0.00 C ATOM 1085 O GLY A 73 -10.103 -3.966 -11.196 1.00 0.00 O ATOM 0 H GLY A 73 -12.268 -1.139 -12.952 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.627 -3.505 -12.431 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.287 -3.892 -13.493 1.00 0.00 H new ATOM 1089 N PHE A 74 -10.561 -1.763 -11.152 1.00 0.00 N ATOM 1090 CA PHE A 74 -9.664 -1.488 -10.036 1.00 0.00 C ATOM 1091 C PHE A 74 -10.008 -2.359 -8.835 1.00 0.00 C ATOM 1092 O PHE A 74 -10.972 -3.122 -8.868 1.00 0.00 O ATOM 1093 CB PHE A 74 -9.738 -0.012 -9.643 1.00 0.00 C ATOM 1094 CG PHE A 74 -8.906 0.883 -10.516 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -8.941 0.751 -11.893 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -8.089 1.854 -9.960 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -8.176 1.571 -12.701 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -7.322 2.677 -10.762 1.00 0.00 C ATOM 1099 CZ PHE A 74 -7.366 2.535 -12.135 1.00 0.00 C ATOM 0 H PHE A 74 -11.052 -0.944 -11.511 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.649 -1.722 -10.356 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.777 0.316 -9.686 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.412 0.097 -8.609 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -9.573 -0.001 -12.341 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.051 1.969 -8.887 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.212 1.458 -13.774 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.689 3.430 -10.316 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.768 3.177 -12.765 1.00 0.00 H new ATOM 1109 N LYS A 75 -9.213 -2.238 -7.778 1.00 0.00 N ATOM 1110 CA LYS A 75 -9.433 -3.013 -6.564 1.00 0.00 C ATOM 1111 C LYS A 75 -8.848 -2.302 -5.345 1.00 0.00 C ATOM 1112 O LYS A 75 -7.638 -2.325 -5.119 1.00 0.00 O ATOM 1113 CB LYS A 75 -8.808 -4.404 -6.696 1.00 0.00 C ATOM 1114 CG LYS A 75 -9.121 -5.101 -8.009 1.00 0.00 C ATOM 1115 CD LYS A 75 -8.156 -4.678 -9.105 1.00 0.00 C ATOM 1116 CE LYS A 75 -7.756 -5.853 -9.980 1.00 0.00 C ATOM 1117 NZ LYS A 75 -8.193 -5.663 -11.390 1.00 0.00 N ATOM 0 H LYS A 75 -8.410 -1.610 -7.738 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.509 -3.114 -6.425 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.727 -4.316 -6.592 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.158 -5.028 -5.873 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.067 -6.181 -7.871 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.142 -4.869 -8.312 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.618 -3.906 -9.720 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.266 -4.237 -8.657 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.674 -5.979 -9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.195 -6.768 -9.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.510 -6.573 -11.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.977 -4.981 -11.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.398 -5.302 -11.954 1.00 0.00 H new ATOM 1131 N VAL A 76 -9.718 -1.681 -4.560 1.00 0.00 N ATOM 1132 CA VAL A 76 -9.305 -0.969 -3.350 1.00 0.00 C ATOM 1133 C VAL A 76 -9.498 -1.844 -2.154 1.00 0.00 C ATOM 1134 O VAL A 76 -9.565 -1.366 -1.021 1.00 0.00 O ATOM 1135 CB VAL A 76 -10.154 0.299 -3.137 1.00 0.00 C ATOM 1136 CG1 VAL A 76 -9.750 1.387 -4.124 1.00 0.00 C ATOM 1137 CG2 VAL A 76 -11.612 -0.093 -3.319 1.00 0.00 C ATOM 0 H VAL A 76 -10.722 -1.654 -4.738 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.256 -0.698 -3.472 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.997 0.704 -2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.361 2.274 -3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.699 1.638 -3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.901 1.029 -5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -12.245 0.783 -3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -11.760 -0.486 -4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -11.877 -0.857 -2.588 1.00 0.00 H new ATOM 1147 N GLU A 77 -9.622 -3.122 -2.425 1.00 0.00 N ATOM 1148 CA GLU A 77 -9.866 -4.096 -1.372 1.00 0.00 C ATOM 1149 C GLU A 77 -10.593 -3.378 -0.257 1.00 0.00 C ATOM 1150 O GLU A 77 -10.333 -3.590 0.925 1.00 0.00 O ATOM 1151 CB GLU A 77 -8.545 -4.685 -0.873 1.00 0.00 C ATOM 1152 CG GLU A 77 -8.445 -6.191 -1.032 1.00 0.00 C ATOM 1153 CD GLU A 77 -7.561 -6.596 -2.194 1.00 0.00 C ATOM 1154 OE1 GLU A 77 -6.324 -6.495 -2.062 1.00 0.00 O ATOM 1155 OE2 GLU A 77 -8.107 -7.014 -3.237 1.00 0.00 O ATOM 0 H GLU A 77 -9.559 -3.517 -3.363 1.00 0.00 H new ATOM 0 HA GLU A 77 -10.468 -4.926 -1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.722 -4.217 -1.414 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.420 -4.431 0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.052 -6.625 -0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.443 -6.604 -1.178 1.00 0.00 H new ATOM 1162 N ASN A 78 -11.477 -2.478 -0.689 1.00 0.00 N ATOM 1163 CA ASN A 78 -12.239 -1.617 0.195 1.00 0.00 C ATOM 1164 C ASN A 78 -11.701 -1.778 1.601 1.00 0.00 C ATOM 1165 O ASN A 78 -12.406 -2.163 2.533 1.00 0.00 O ATOM 1166 CB ASN A 78 -13.715 -1.947 0.134 1.00 0.00 C ATOM 1167 CG ASN A 78 -14.566 -0.828 0.673 1.00 0.00 C ATOM 1168 OD1 ASN A 78 -15.297 -0.164 -0.059 1.00 0.00 O ATOM 1169 ND2 ASN A 78 -14.469 -0.608 1.966 1.00 0.00 N ATOM 0 H ASN A 78 -11.681 -2.330 -1.677 1.00 0.00 H new ATOM 0 HA ASN A 78 -12.132 -0.579 -0.120 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.998 -2.153 -0.898 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.907 -2.856 0.704 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -15.013 0.138 2.399 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -13.849 -1.184 2.536 1.00 0.00 H new ATOM 1176 N HIS A 79 -10.409 -1.538 1.697 1.00 0.00 N ATOM 1177 CA HIS A 79 -9.663 -1.703 2.925 1.00 0.00 C ATOM 1178 C HIS A 79 -10.438 -1.362 4.170 1.00 0.00 C ATOM 1179 O HIS A 79 -10.829 -0.223 4.415 1.00 0.00 O ATOM 1180 CB HIS A 79 -8.365 -0.915 2.866 1.00 0.00 C ATOM 1181 CG HIS A 79 -7.524 -1.392 1.753 1.00 0.00 C ATOM 1182 ND1 HIS A 79 -6.258 -0.955 1.478 1.00 0.00 N ATOM 1183 CD2 HIS A 79 -7.832 -2.297 0.813 1.00 0.00 C ATOM 1184 CE1 HIS A 79 -5.839 -1.595 0.377 1.00 0.00 C ATOM 1185 NE2 HIS A 79 -6.762 -2.429 -0.068 1.00 0.00 N ATOM 0 H HIS A 79 -9.841 -1.218 0.912 1.00 0.00 H new ATOM 0 HA HIS A 79 -9.444 -2.768 3.001 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -8.582 0.146 2.738 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.826 -1.019 3.808 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -5.728 -0.267 2.013 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -8.764 -2.839 0.749 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -4.874 -1.448 -0.085 1.00 0.00 H new ATOM 1193 N THR A 80 -10.605 -2.382 4.972 1.00 0.00 N ATOM 1194 CA THR A 80 -11.284 -2.249 6.246 1.00 0.00 C ATOM 1195 C THR A 80 -10.261 -2.348 7.369 1.00 0.00 C ATOM 1196 O THR A 80 -10.541 -2.014 8.520 1.00 0.00 O ATOM 1197 CB THR A 80 -12.362 -3.318 6.397 1.00 0.00 C ATOM 1198 OG1 THR A 80 -11.946 -4.327 7.297 1.00 0.00 O ATOM 1199 CG2 THR A 80 -12.720 -3.981 5.085 1.00 0.00 C ATOM 0 H THR A 80 -10.278 -3.326 4.767 1.00 0.00 H new ATOM 0 HA THR A 80 -11.776 -1.277 6.294 1.00 0.00 H new ATOM 0 HB THR A 80 -13.242 -2.799 6.777 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.658 -4.993 7.393 1.00 0.00 H new ATOM 0 HG21 THR A 80 -13.491 -4.732 5.255 1.00 0.00 H new ATOM 0 HG22 THR A 80 -13.092 -3.230 4.388 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.835 -4.459 4.665 1.00 0.00 H new ATOM 1207 N ALA A 81 -9.061 -2.805 7.012 1.00 0.00 N ATOM 1208 CA ALA A 81 -7.977 -2.946 7.969 1.00 0.00 C ATOM 1209 C ALA A 81 -6.646 -3.053 7.233 1.00 0.00 C ATOM 1210 O ALA A 81 -6.592 -3.576 6.122 1.00 0.00 O ATOM 1211 CB ALA A 81 -8.210 -4.164 8.848 1.00 0.00 C ATOM 0 H ALA A 81 -8.820 -3.084 6.061 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.947 -2.065 8.610 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.391 -4.260 9.561 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.150 -4.049 9.388 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.256 -5.058 8.226 1.00 0.00 H new ATOM 1217 N CYS A 82 -5.579 -2.548 7.842 1.00 0.00 N ATOM 1218 CA CYS A 82 -4.260 -2.591 7.217 1.00 0.00 C ATOM 1219 C CYS A 82 -3.238 -3.260 8.134 1.00 0.00 C ATOM 1220 O CYS A 82 -3.465 -3.398 9.335 1.00 0.00 O ATOM 1221 CB CYS A 82 -3.790 -1.178 6.861 1.00 0.00 C ATOM 1222 SG CYS A 82 -2.835 -1.076 5.309 1.00 0.00 S ATOM 0 H CYS A 82 -5.599 -2.107 8.761 1.00 0.00 H new ATOM 0 HA CYS A 82 -4.343 -3.181 6.304 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -4.660 -0.527 6.782 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -3.178 -0.794 7.677 1.00 0.00 H new ATOM 1227 N HIS A 83 -2.109 -3.664 7.558 1.00 0.00 N ATOM 1228 CA HIS A 83 -1.047 -4.309 8.323 1.00 0.00 C ATOM 1229 C HIS A 83 0.166 -4.593 7.443 1.00 0.00 C ATOM 1230 O HIS A 83 0.123 -5.461 6.570 1.00 0.00 O ATOM 1231 CB HIS A 83 -1.543 -5.607 8.959 1.00 0.00 C ATOM 1232 CG HIS A 83 -2.028 -6.618 7.971 1.00 0.00 C ATOM 1233 ND1 HIS A 83 -2.034 -7.971 8.229 1.00 0.00 N ATOM 1234 CD2 HIS A 83 -2.522 -6.473 6.719 1.00 0.00 C ATOM 1235 CE1 HIS A 83 -2.510 -8.616 7.180 1.00 0.00 C ATOM 1236 NE2 HIS A 83 -2.815 -7.731 6.250 1.00 0.00 N ATOM 0 H HIS A 83 -1.906 -3.556 6.564 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.750 -3.622 9.116 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.735 -6.045 9.545 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.351 -5.375 9.653 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -1.720 -8.407 9.096 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -2.660 -5.543 6.188 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.629 -9.686 7.097 1.00 0.00 H new ATOM 1245 N CYS A 84 1.247 -3.857 7.680 1.00 0.00 N ATOM 1246 CA CYS A 84 2.475 -4.029 6.912 1.00 0.00 C ATOM 1247 C CYS A 84 2.972 -5.467 7.005 1.00 0.00 C ATOM 1248 O CYS A 84 3.381 -5.926 8.071 1.00 0.00 O ATOM 1249 CB CYS A 84 3.559 -3.070 7.413 1.00 0.00 C ATOM 1250 SG CYS A 84 3.116 -1.307 7.283 1.00 0.00 S ATOM 0 H CYS A 84 1.298 -3.135 8.399 1.00 0.00 H new ATOM 0 HA CYS A 84 2.256 -3.802 5.869 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.780 -3.302 8.455 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.474 -3.246 6.847 1.00 0.00 H new ATOM 1255 N SER A 85 2.928 -6.175 5.883 1.00 0.00 N ATOM 1256 CA SER A 85 3.368 -7.564 5.836 1.00 0.00 C ATOM 1257 C SER A 85 3.579 -8.018 4.395 1.00 0.00 C ATOM 1258 O SER A 85 3.503 -7.214 3.465 1.00 0.00 O ATOM 1259 CB SER A 85 2.339 -8.464 6.522 1.00 0.00 C ATOM 1260 OG SER A 85 1.018 -8.045 6.227 1.00 0.00 O ATOM 0 H SER A 85 2.592 -5.809 4.992 1.00 0.00 H new ATOM 0 HA SER A 85 4.319 -7.640 6.363 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.478 -9.495 6.196 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.497 -8.446 7.600 1.00 0.00 H new ATOM 0 HG SER A 85 0.883 -7.133 6.558 1.00 0.00 H new ATOM 1266 N THR A 86 3.849 -9.308 4.217 1.00 0.00 N ATOM 1267 CA THR A 86 4.075 -9.864 2.887 1.00 0.00 C ATOM 1268 C THR A 86 3.187 -9.183 1.852 1.00 0.00 C ATOM 1269 O THR A 86 1.960 -9.225 1.946 1.00 0.00 O ATOM 1270 CB THR A 86 3.818 -11.372 2.882 1.00 0.00 C ATOM 1271 OG1 THR A 86 3.728 -11.861 1.555 1.00 0.00 O ATOM 1272 CG2 THR A 86 2.548 -11.767 3.602 1.00 0.00 C ATOM 0 H THR A 86 3.916 -9.987 4.976 1.00 0.00 H new ATOM 0 HA THR A 86 5.117 -9.682 2.623 1.00 0.00 H new ATOM 0 HB THR A 86 4.666 -11.810 3.409 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.565 -12.827 1.573 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.428 -12.850 3.560 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.606 -11.448 4.643 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.694 -11.288 3.123 1.00 0.00 H new ATOM 1280 N CYS A 87 3.815 -8.555 0.865 1.00 0.00 N ATOM 1281 CA CYS A 87 3.084 -7.863 -0.189 1.00 0.00 C ATOM 1282 C CYS A 87 2.321 -8.851 -1.065 1.00 0.00 C ATOM 1283 O CYS A 87 2.307 -10.053 -0.798 1.00 0.00 O ATOM 1284 CB CYS A 87 4.042 -7.040 -1.050 1.00 0.00 C ATOM 1285 SG CYS A 87 3.385 -5.412 -1.540 1.00 0.00 S ATOM 0 H CYS A 87 4.830 -8.511 0.773 1.00 0.00 H new ATOM 0 HA CYS A 87 2.365 -7.195 0.285 1.00 0.00 H new ATOM 0 HB2 CYS A 87 4.973 -6.895 -0.502 1.00 0.00 H new ATOM 0 HB3 CYS A 87 4.286 -7.607 -1.948 1.00 0.00 H new ATOM 1290 N TYR A 88 1.687 -8.334 -2.113 1.00 0.00 N ATOM 1291 CA TYR A 88 0.919 -9.166 -3.032 1.00 0.00 C ATOM 1292 C TYR A 88 1.840 -9.921 -3.985 1.00 0.00 C ATOM 1293 O TYR A 88 2.718 -9.329 -4.614 1.00 0.00 O ATOM 1294 CB TYR A 88 -0.063 -8.308 -3.831 1.00 0.00 C ATOM 1295 CG TYR A 88 -0.612 -7.130 -3.057 1.00 0.00 C ATOM 1296 CD1 TYR A 88 0.071 -5.921 -3.018 1.00 0.00 C ATOM 1297 CD2 TYR A 88 -1.814 -7.227 -2.367 1.00 0.00 C ATOM 1298 CE1 TYR A 88 -0.428 -4.842 -2.313 1.00 0.00 C ATOM 1299 CE2 TYR A 88 -2.320 -6.152 -1.660 1.00 0.00 C ATOM 1300 CZ TYR A 88 -1.624 -4.963 -1.636 1.00 0.00 C ATOM 1301 OH TYR A 88 -2.124 -3.892 -0.933 1.00 0.00 O ATOM 0 H TYR A 88 1.690 -7.341 -2.347 1.00 0.00 H new ATOM 0 HA TYR A 88 0.361 -9.893 -2.442 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.436 -7.941 -4.728 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.893 -8.933 -4.161 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.007 -5.823 -3.547 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.362 -8.157 -2.383 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.116 -3.909 -2.292 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.256 -6.244 -1.129 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.496 -3.645 -0.223 1.00 0.00 H new ATOM 1311 N TYR A 89 1.634 -11.230 -4.089 1.00 0.00 N ATOM 1312 CA TYR A 89 2.446 -12.063 -4.968 1.00 0.00 C ATOM 1313 C TYR A 89 1.796 -12.196 -6.343 1.00 0.00 C ATOM 1314 O TYR A 89 0.718 -12.773 -6.479 1.00 0.00 O ATOM 1315 CB TYR A 89 2.649 -13.447 -4.351 1.00 0.00 C ATOM 1316 CG TYR A 89 1.380 -14.055 -3.797 1.00 0.00 C ATOM 1317 CD1 TYR A 89 0.463 -14.677 -4.634 1.00 0.00 C ATOM 1318 CD2 TYR A 89 1.099 -14.006 -2.436 1.00 0.00 C ATOM 1319 CE1 TYR A 89 -0.697 -15.234 -4.133 1.00 0.00 C ATOM 1320 CE2 TYR A 89 -0.060 -14.562 -1.928 1.00 0.00 C ATOM 1321 CZ TYR A 89 -0.954 -15.174 -2.781 1.00 0.00 C ATOM 1322 OH TYR A 89 -2.109 -15.729 -2.279 1.00 0.00 O ATOM 0 H TYR A 89 0.912 -11.736 -3.576 1.00 0.00 H new ATOM 0 HA TYR A 89 3.417 -11.582 -5.089 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.062 -14.115 -5.106 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.386 -13.375 -3.552 1.00 0.00 H new ATOM 0 HD1 TYR A 89 0.660 -14.726 -5.695 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.797 -13.526 -1.766 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.399 -15.714 -4.798 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.264 -14.517 -0.868 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.138 -15.602 -1.308 1.00 0.00 H new ATOM 1332 N HIS A 90 2.461 -11.654 -7.359 1.00 0.00 N ATOM 1333 CA HIS A 90 1.950 -11.709 -8.726 1.00 0.00 C ATOM 1334 C HIS A 90 3.085 -11.596 -9.740 1.00 0.00 C ATOM 1335 O HIS A 90 3.068 -12.254 -10.780 1.00 0.00 O ATOM 1336 CB HIS A 90 0.934 -10.589 -8.956 1.00 0.00 C ATOM 1337 CG HIS A 90 -0.411 -10.867 -8.356 1.00 0.00 C ATOM 1338 ND1 HIS A 90 -0.668 -10.762 -7.005 1.00 0.00 N ATOM 1339 CD2 HIS A 90 -1.578 -11.247 -8.930 1.00 0.00 C ATOM 1340 CE1 HIS A 90 -1.935 -11.063 -6.774 1.00 0.00 C ATOM 1341 NE2 HIS A 90 -2.508 -11.361 -7.926 1.00 0.00 N ATOM 0 H HIS A 90 3.355 -11.172 -7.262 1.00 0.00 H new ATOM 0 HA HIS A 90 1.460 -12.673 -8.864 1.00 0.00 H new ATOM 0 HB2 HIS A 90 1.326 -9.663 -8.536 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.818 -10.429 -10.028 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -1.746 -11.427 -9.982 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -2.418 -11.065 -5.808 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -3.484 -11.632 -8.050 1.00 0.00 H new ATOM 1350 N LYS A 91 4.071 -10.760 -9.428 1.00 0.00 N ATOM 1351 CA LYS A 91 5.216 -10.561 -10.310 1.00 0.00 C ATOM 1352 C LYS A 91 4.797 -10.631 -11.775 1.00 0.00 C ATOM 1353 O LYS A 91 5.380 -11.376 -12.564 1.00 0.00 O ATOM 1354 CB LYS A 91 6.298 -11.607 -10.026 1.00 0.00 C ATOM 1355 CG LYS A 91 5.947 -12.563 -8.896 1.00 0.00 C ATOM 1356 CD LYS A 91 6.658 -13.896 -9.058 1.00 0.00 C ATOM 1357 CE LYS A 91 5.679 -15.010 -9.389 1.00 0.00 C ATOM 1358 NZ LYS A 91 6.362 -16.197 -9.974 1.00 0.00 N ATOM 0 H LYS A 91 4.100 -10.209 -8.570 1.00 0.00 H new ATOM 0 HA LYS A 91 5.621 -9.568 -10.114 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.480 -12.183 -10.933 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.229 -11.096 -9.781 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.222 -12.116 -7.941 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.869 -12.724 -8.875 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.404 -13.818 -9.849 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.192 -14.140 -8.139 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.148 -15.307 -8.485 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.932 -14.639 -10.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.658 -16.933 -10.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.848 -15.921 -10.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.057 -16.567 -9.295 1.00 0.00 H new ATOM 1372 N SER A 92 3.781 -9.850 -12.136 1.00 0.00 N ATOM 1373 CA SER A 92 3.285 -9.826 -13.508 1.00 0.00 C ATOM 1374 C SER A 92 2.846 -11.218 -13.951 1.00 0.00 C ATOM 1375 O SER A 92 3.176 -12.194 -13.244 1.00 0.00 O ATOM 1376 CB SER A 92 4.364 -9.292 -14.453 1.00 0.00 C ATOM 1377 OG SER A 92 3.896 -8.173 -15.187 1.00 0.00 O ATOM 1378 OXT SER A 92 2.176 -11.320 -14.999 1.00 0.00 O ATOM 0 H SER A 92 3.287 -9.227 -11.498 1.00 0.00 H new ATOM 0 HA SER A 92 2.420 -9.163 -13.545 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.247 -9.010 -13.879 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.670 -10.080 -15.142 1.00 0.00 H new ATOM 0 HG SER A 92 4.606 -7.851 -15.781 1.00 0.00 H new TER 1384 SER A 92