USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 516 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 SER OG : rot -47:sc= 0.496 USER MOD Set 1.2: A 69 LYS NZ :NH3+ -164:sc=-0.00333 (180deg=-0.467) USER MOD Set 2.1: A 13 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Set 2.2: A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASN :FLIP amide:sc= 0.0735 F(o=-3.4!,f=0.074) USER MOD Single : A 1 ASN N :NH3+ -160:sc= 0.178 (180deg=0.0812) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.32 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot -116:sc= 0.929 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -115:sc= 0.352 USER MOD Single : A 41 LYS NZ :NH3+ 142:sc= 0.821 (180deg=-0.191) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -1.09 K(o=-1.1,f=-4.7!) USER MOD Single : A 53 GLN : amide:sc= -0.821 K(o=-0.82,f=-3.3!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot -170:sc= -0.0907 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.444 K(o=-0.44,f=-3.5!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -10.595 3.261 12.758 1.00 0.00 N ATOM 2 CA ASN A 1 -10.004 2.799 11.496 1.00 0.00 C ATOM 3 C ASN A 1 -9.963 1.283 11.464 1.00 0.00 C ATOM 4 O ASN A 1 -9.511 0.668 12.421 1.00 0.00 O ATOM 5 CB ASN A 1 -8.587 3.357 11.315 1.00 0.00 C ATOM 6 CG ASN A 1 -8.199 3.479 9.853 1.00 0.00 C ATOM 7 OD1 ASN A 1 -8.293 2.396 9.105 1.00 0.00 O flip ATOM 8 ND2 ASN A 1 -7.824 4.536 9.395 1.00 0.00 N flip ATOM 0 H1 ASN A 1 -10.930 4.239 12.647 1.00 0.00 H new ATOM 0 H2 ASN A 1 -11.396 2.648 13.012 1.00 0.00 H new ATOM 0 H3 ASN A 1 -9.879 3.224 13.511 1.00 0.00 H new ATOM 0 HA ASN A 1 -10.626 3.163 10.678 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -8.521 4.336 11.789 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -7.875 2.708 11.825 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -7.760 5.358 9.995 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -7.572 4.604 8.409 1.00 0.00 H new ATOM 17 N GLU A 2 -10.326 0.705 10.322 1.00 0.00 N ATOM 18 CA GLU A 2 -10.403 -0.753 10.184 1.00 0.00 C ATOM 19 C GLU A 2 -9.399 -1.223 9.149 1.00 0.00 C ATOM 20 O GLU A 2 -8.644 -2.151 9.388 1.00 0.00 O ATOM 21 CB GLU A 2 -11.795 -1.221 9.772 1.00 0.00 C ATOM 22 CG GLU A 2 -12.941 -0.391 10.351 1.00 0.00 C ATOM 23 CD GLU A 2 -12.860 -0.208 11.858 1.00 0.00 C ATOM 24 OE1 GLU A 2 -13.102 -1.210 12.558 1.00 0.00 O ATOM 25 OE2 GLU A 2 -12.497 0.923 12.291 1.00 0.00 O ATOM 0 H GLU A 2 -10.572 1.221 9.477 1.00 0.00 H new ATOM 0 HA GLU A 2 -10.178 -1.182 11.160 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -11.863 -1.202 8.684 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -11.922 -2.258 10.082 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.945 0.589 9.874 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.888 -0.871 10.102 1.00 0.00 H new ATOM 32 N CYS A 3 -9.319 -0.529 8.009 1.00 0.00 N ATOM 33 CA CYS A 3 -8.383 -0.866 6.941 1.00 0.00 C ATOM 34 C CYS A 3 -6.976 -1.096 7.489 1.00 0.00 C ATOM 35 O CYS A 3 -6.406 -2.175 7.331 1.00 0.00 O ATOM 36 CB CYS A 3 -8.350 0.259 5.912 1.00 0.00 C ATOM 37 SG CYS A 3 -9.781 0.306 4.832 1.00 0.00 S ATOM 0 H CYS A 3 -9.903 0.282 7.804 1.00 0.00 H new ATOM 0 HA CYS A 3 -8.723 -1.789 6.472 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -8.271 1.212 6.434 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.452 0.154 5.303 1.00 0.00 H new ATOM 42 N VAL A 4 -6.449 -0.094 8.198 1.00 0.00 N ATOM 43 CA VAL A 4 -5.128 -0.188 8.823 1.00 0.00 C ATOM 44 C VAL A 4 -5.044 -1.348 9.812 1.00 0.00 C ATOM 45 O VAL A 4 -4.004 -1.969 9.950 1.00 0.00 O ATOM 46 CB VAL A 4 -4.769 1.118 9.546 1.00 0.00 C ATOM 47 CG1 VAL A 4 -5.410 1.187 10.937 1.00 0.00 C ATOM 48 CG2 VAL A 4 -3.254 1.249 9.659 1.00 0.00 C ATOM 0 H VAL A 4 -6.921 0.797 8.354 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.415 -0.368 8.018 1.00 0.00 H new ATOM 0 HB VAL A 4 -5.163 1.947 8.958 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -5.134 2.125 11.419 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.494 1.134 10.841 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.058 0.351 11.542 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.006 2.178 10.173 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.857 0.405 10.223 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.814 1.258 8.662 1.00 0.00 H new ATOM 58 N SER A 5 -6.166 -1.679 10.453 1.00 0.00 N ATOM 59 CA SER A 5 -6.253 -2.758 11.423 1.00 0.00 C ATOM 60 C SER A 5 -5.966 -4.096 10.760 1.00 0.00 C ATOM 61 O SER A 5 -5.434 -5.013 11.378 1.00 0.00 O ATOM 62 CB SER A 5 -7.640 -2.798 12.067 1.00 0.00 C ATOM 63 OG SER A 5 -7.583 -3.439 13.319 1.00 0.00 O ATOM 0 H SER A 5 -7.051 -1.194 10.306 1.00 0.00 H new ATOM 0 HA SER A 5 -5.507 -2.572 12.196 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.021 -1.784 12.188 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.336 -3.324 11.414 1.00 0.00 H new ATOM 0 HG SER A 5 -8.477 -3.455 13.719 1.00 0.00 H new ATOM 69 N LYS A 6 -6.296 -4.214 9.467 1.00 0.00 N ATOM 70 CA LYS A 6 -6.012 -5.408 8.687 1.00 0.00 C ATOM 71 C LYS A 6 -4.720 -5.298 7.882 1.00 0.00 C ATOM 72 O LYS A 6 -4.275 -6.279 7.278 1.00 0.00 O ATOM 73 CB LYS A 6 -7.193 -5.695 7.774 1.00 0.00 C ATOM 74 CG LYS A 6 -8.265 -6.567 8.414 1.00 0.00 C ATOM 75 CD LYS A 6 -7.775 -8.003 8.610 1.00 0.00 C ATOM 76 CE LYS A 6 -8.530 -8.678 9.752 1.00 0.00 C ATOM 77 NZ LYS A 6 -8.037 -10.056 9.983 1.00 0.00 N ATOM 0 H LYS A 6 -6.767 -3.479 8.939 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.864 -6.235 9.382 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.641 -4.750 7.467 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.831 -6.185 6.870 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.552 -6.145 9.377 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.157 -6.568 7.787 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.915 -8.570 7.689 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.706 -8.002 8.824 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.416 -8.091 10.663 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.595 -8.704 9.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.569 -10.489 10.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.169 -10.621 9.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.026 -10.027 10.227 1.00 0.00 H new ATOM 91 N GLY A 7 -4.139 -4.106 7.839 1.00 0.00 N ATOM 92 CA GLY A 7 -2.911 -3.864 7.111 1.00 0.00 C ATOM 93 C GLY A 7 -3.172 -3.537 5.656 1.00 0.00 C ATOM 94 O GLY A 7 -2.394 -3.944 4.804 1.00 0.00 O ATOM 0 H GLY A 7 -4.511 -3.281 8.311 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.369 -3.041 7.577 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.271 -4.744 7.176 1.00 0.00 H new ATOM 98 N PHE A 8 -4.317 -2.942 5.339 1.00 0.00 N ATOM 99 CA PHE A 8 -4.662 -2.555 3.980 1.00 0.00 C ATOM 100 C PHE A 8 -4.190 -1.141 3.659 1.00 0.00 C ATOM 101 O PHE A 8 -3.832 -0.381 4.555 1.00 0.00 O ATOM 102 CB PHE A 8 -6.170 -2.678 3.781 1.00 0.00 C ATOM 103 CG PHE A 8 -6.646 -4.102 3.731 1.00 0.00 C ATOM 104 CD1 PHE A 8 -6.321 -4.921 2.642 1.00 0.00 C ATOM 105 CD2 PHE A 8 -7.417 -4.612 4.774 1.00 0.00 C ATOM 106 CE1 PHE A 8 -6.769 -6.248 2.594 1.00 0.00 C ATOM 107 CE2 PHE A 8 -7.850 -5.940 4.726 1.00 0.00 C ATOM 108 CZ PHE A 8 -7.537 -6.764 3.644 1.00 0.00 C ATOM 0 H PHE A 8 -5.036 -2.714 6.025 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.150 -3.228 3.292 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.681 -2.159 4.592 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.450 -2.175 2.855 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -5.722 -4.527 1.834 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.678 -3.985 5.614 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.522 -6.872 1.748 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.438 -6.336 5.541 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.883 -7.787 3.617 1.00 0.00 H new ATOM 118 N GLY A 9 -4.250 -0.783 2.379 1.00 0.00 N ATOM 119 CA GLY A 9 -3.841 0.538 1.924 1.00 0.00 C ATOM 120 C GLY A 9 -4.979 1.310 1.279 1.00 0.00 C ATOM 121 O GLY A 9 -5.679 0.805 0.406 1.00 0.00 O ATOM 0 H GLY A 9 -4.581 -1.397 1.635 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.454 1.106 2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.025 0.436 1.209 1.00 0.00 H new ATOM 125 N CYS A 10 -5.222 2.524 1.760 1.00 0.00 N ATOM 126 CA CYS A 10 -6.271 3.373 1.219 1.00 0.00 C ATOM 127 C CYS A 10 -5.855 3.975 -0.104 1.00 0.00 C ATOM 128 O CYS A 10 -4.729 4.434 -0.210 1.00 0.00 O ATOM 129 CB CYS A 10 -6.594 4.487 2.207 1.00 0.00 C ATOM 130 SG CYS A 10 -7.115 3.866 3.813 1.00 0.00 S ATOM 0 H CYS A 10 -4.701 2.943 2.530 1.00 0.00 H new ATOM 0 HA CYS A 10 -7.156 2.758 1.055 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -5.715 5.119 2.335 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -7.382 5.116 1.793 1.00 0.00 H new ATOM 135 N LEU A 11 -6.781 4.035 -1.060 1.00 0.00 N ATOM 136 CA LEU A 11 -6.511 4.596 -2.378 1.00 0.00 C ATOM 137 C LEU A 11 -7.771 5.107 -3.048 1.00 0.00 C ATOM 138 O LEU A 11 -8.844 4.660 -2.726 1.00 0.00 O ATOM 139 CB LEU A 11 -5.854 3.539 -3.274 1.00 0.00 C ATOM 140 CG LEU A 11 -4.414 3.174 -2.895 1.00 0.00 C ATOM 141 CD1 LEU A 11 -3.913 2.049 -3.782 1.00 0.00 C ATOM 142 CD2 LEU A 11 -3.501 4.394 -3.015 1.00 0.00 C ATOM 0 H LEU A 11 -7.736 3.697 -0.941 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.837 5.441 -2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.461 2.634 -3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.863 3.900 -4.303 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.401 2.838 -1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.889 1.796 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.550 1.174 -3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.939 2.368 -4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.483 4.115 -2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.514 4.759 -4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.854 5.180 -2.347 1.00 0.00 H new ATOM 154 N PRO A 12 -7.680 6.059 -3.970 1.00 0.00 N ATOM 155 CA PRO A 12 -8.821 6.612 -4.683 1.00 0.00 C ATOM 156 C PRO A 12 -9.430 5.591 -5.607 1.00 0.00 C ATOM 157 O PRO A 12 -8.703 4.975 -6.363 1.00 0.00 O ATOM 158 CB PRO A 12 -8.261 7.798 -5.446 1.00 0.00 C ATOM 159 CG PRO A 12 -6.787 7.467 -5.621 1.00 0.00 C ATOM 160 CD PRO A 12 -6.435 6.661 -4.392 1.00 0.00 C ATOM 0 HA PRO A 12 -9.625 6.909 -4.010 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.758 7.923 -6.408 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.398 8.728 -4.893 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.613 6.897 -6.534 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.182 8.371 -5.690 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.687 5.902 -4.619 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.018 7.296 -3.610 1.00 0.00 H new ATOM 168 N GLN A 13 -10.757 5.452 -5.608 1.00 0.00 N ATOM 169 CA GLN A 13 -11.464 4.506 -6.476 1.00 0.00 C ATOM 170 C GLN A 13 -10.968 4.595 -7.918 1.00 0.00 C ATOM 171 O GLN A 13 -11.086 3.651 -8.676 1.00 0.00 O ATOM 172 CB GLN A 13 -12.959 4.834 -6.459 1.00 0.00 C ATOM 173 CG GLN A 13 -13.625 4.756 -5.094 1.00 0.00 C ATOM 174 CD GLN A 13 -14.966 5.445 -5.036 1.00 0.00 C ATOM 175 OE1 GLN A 13 -15.651 5.593 -6.028 1.00 0.00 O ATOM 176 NE2 GLN A 13 -15.356 5.857 -3.850 1.00 0.00 N ATOM 0 H GLN A 13 -11.375 5.994 -5.004 1.00 0.00 H new ATOM 0 HA GLN A 13 -11.278 3.499 -6.102 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -13.098 5.839 -6.856 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -13.472 4.150 -7.135 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -13.752 3.709 -4.820 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.964 5.202 -4.351 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -14.755 5.716 -3.038 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -16.260 6.317 -3.742 1.00 0.00 H new ATOM 185 N SER A 14 -10.479 5.764 -8.316 1.00 0.00 N ATOM 186 CA SER A 14 -9.859 5.950 -9.611 1.00 0.00 C ATOM 187 C SER A 14 -8.637 5.059 -9.835 1.00 0.00 C ATOM 188 O SER A 14 -8.507 4.459 -10.891 1.00 0.00 O ATOM 189 CB SER A 14 -9.472 7.416 -9.796 1.00 0.00 C ATOM 190 OG SER A 14 -8.581 7.853 -8.789 1.00 0.00 O ATOM 0 H SER A 14 -10.504 6.608 -7.744 1.00 0.00 H new ATOM 0 HA SER A 14 -10.600 5.655 -10.354 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.010 7.550 -10.774 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.370 8.034 -9.781 1.00 0.00 H new ATOM 0 HG SER A 14 -8.353 8.794 -8.940 1.00 0.00 H new ATOM 196 N ASP A 15 -7.737 5.013 -8.857 1.00 0.00 N ATOM 197 CA ASP A 15 -6.552 4.162 -8.907 1.00 0.00 C ATOM 198 C ASP A 15 -6.845 2.723 -8.465 1.00 0.00 C ATOM 199 O ASP A 15 -6.245 1.773 -8.951 1.00 0.00 O ATOM 200 CB ASP A 15 -5.457 4.762 -8.022 1.00 0.00 C ATOM 201 CG ASP A 15 -4.062 4.450 -8.559 1.00 0.00 C ATOM 202 OD1 ASP A 15 -3.693 3.262 -8.583 1.00 0.00 O ATOM 203 OD2 ASP A 15 -3.375 5.428 -8.929 1.00 0.00 O ATOM 0 H ASP A 15 -7.809 5.567 -8.004 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.221 4.120 -9.945 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.590 5.842 -7.961 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.553 4.371 -7.009 1.00 0.00 H new ATOM 208 N CYS A 16 -7.807 2.554 -7.553 1.00 0.00 N ATOM 209 CA CYS A 16 -8.190 1.250 -7.055 1.00 0.00 C ATOM 210 C CYS A 16 -9.359 0.660 -7.852 1.00 0.00 C ATOM 211 O CYS A 16 -10.434 1.258 -7.947 1.00 0.00 O ATOM 212 CB CYS A 16 -8.527 1.330 -5.570 1.00 0.00 C ATOM 213 SG CYS A 16 -8.678 -0.260 -4.761 1.00 0.00 S ATOM 0 H CYS A 16 -8.336 3.325 -7.145 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.341 0.579 -7.185 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.754 1.909 -5.065 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -9.463 1.875 -5.451 1.00 0.00 H new ATOM 218 N PRO A 17 -9.208 -0.561 -8.365 1.00 0.00 N ATOM 219 CA PRO A 17 -10.250 -1.231 -9.128 1.00 0.00 C ATOM 220 C PRO A 17 -11.452 -1.587 -8.271 1.00 0.00 C ATOM 221 O PRO A 17 -11.317 -1.813 -7.076 1.00 0.00 O ATOM 222 CB PRO A 17 -9.576 -2.478 -9.670 1.00 0.00 C ATOM 223 CG PRO A 17 -8.442 -2.760 -8.707 1.00 0.00 C ATOM 224 CD PRO A 17 -8.028 -1.393 -8.207 1.00 0.00 C ATOM 0 HA PRO A 17 -10.647 -0.590 -9.915 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.273 -3.315 -9.716 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.204 -2.318 -10.682 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.766 -3.402 -7.888 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.616 -3.269 -9.203 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.710 -1.434 -7.165 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.189 -1.000 -8.781 1.00 0.00 H new ATOM 232 N GLN A 18 -12.637 -1.680 -8.876 1.00 0.00 N ATOM 233 CA GLN A 18 -13.861 -2.065 -8.172 1.00 0.00 C ATOM 234 C GLN A 18 -13.702 -3.375 -7.402 1.00 0.00 C ATOM 235 O GLN A 18 -14.248 -3.532 -6.318 1.00 0.00 O ATOM 236 CB GLN A 18 -15.041 -2.156 -9.144 1.00 0.00 C ATOM 237 CG GLN A 18 -14.868 -3.256 -10.183 1.00 0.00 C ATOM 238 CD GLN A 18 -16.092 -3.468 -11.035 1.00 0.00 C ATOM 239 OE1 GLN A 18 -16.439 -2.660 -11.877 1.00 0.00 O ATOM 240 NE2 GLN A 18 -16.807 -4.549 -10.798 1.00 0.00 N ATOM 0 H GLN A 18 -12.775 -1.490 -9.869 1.00 0.00 H new ATOM 0 HA GLN A 18 -14.064 -1.283 -7.440 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -15.957 -2.336 -8.581 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -15.162 -1.199 -9.652 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.024 -3.009 -10.827 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.620 -4.189 -9.677 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.503 -5.216 -10.089 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.665 -4.718 -11.323 1.00 0.00 H new ATOM 249 N GLU A 19 -12.927 -4.296 -7.957 1.00 0.00 N ATOM 250 CA GLU A 19 -12.668 -5.597 -7.370 1.00 0.00 C ATOM 251 C GLU A 19 -11.733 -5.483 -6.173 1.00 0.00 C ATOM 252 O GLU A 19 -11.641 -6.421 -5.380 1.00 0.00 O ATOM 253 CB GLU A 19 -12.066 -6.563 -8.402 1.00 0.00 C ATOM 254 CG GLU A 19 -10.976 -5.934 -9.282 1.00 0.00 C ATOM 255 CD GLU A 19 -11.536 -5.312 -10.566 1.00 0.00 C ATOM 256 OE1 GLU A 19 -12.740 -5.009 -10.591 1.00 0.00 O ATOM 257 OE2 GLU A 19 -10.759 -5.087 -11.509 1.00 0.00 O ATOM 0 H GLU A 19 -12.451 -4.153 -8.848 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.626 -5.994 -7.034 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.646 -7.422 -7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -12.864 -6.939 -9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.452 -5.168 -8.711 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.241 -6.696 -9.543 1.00 0.00 H new ATOM 264 N ALA A 20 -11.054 -4.343 -6.062 1.00 0.00 N ATOM 265 CA ALA A 20 -10.177 -4.052 -4.961 1.00 0.00 C ATOM 266 C ALA A 20 -10.849 -3.253 -3.862 1.00 0.00 C ATOM 267 O ALA A 20 -10.480 -3.345 -2.700 1.00 0.00 O ATOM 268 CB ALA A 20 -8.959 -3.310 -5.457 1.00 0.00 C ATOM 0 H ALA A 20 -11.108 -3.593 -6.751 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.887 -5.009 -4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.299 -3.093 -4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.430 -3.925 -6.185 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.268 -2.376 -5.927 1.00 0.00 H new ATOM 274 N ARG A 21 -11.826 -2.418 -4.221 1.00 0.00 N ATOM 275 CA ARG A 21 -12.571 -1.599 -3.272 1.00 0.00 C ATOM 276 C ARG A 21 -13.164 -2.477 -2.176 1.00 0.00 C ATOM 277 O ARG A 21 -14.062 -3.276 -2.428 1.00 0.00 O ATOM 278 CB ARG A 21 -13.669 -0.814 -3.979 1.00 0.00 C ATOM 279 CG ARG A 21 -13.167 -0.027 -5.184 1.00 0.00 C ATOM 280 CD ARG A 21 -14.265 0.858 -5.746 1.00 0.00 C ATOM 281 NE ARG A 21 -13.818 1.595 -6.936 1.00 0.00 N ATOM 282 CZ ARG A 21 -14.628 2.093 -7.856 1.00 0.00 C ATOM 283 NH1 ARG A 21 -15.926 1.977 -7.728 1.00 0.00 N ATOM 284 NH2 ARG A 21 -14.150 2.742 -8.885 1.00 0.00 N ATOM 0 H ARG A 21 -12.123 -2.293 -5.189 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.884 -0.885 -2.818 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -14.448 -1.504 -4.303 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.128 -0.125 -3.270 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.313 0.585 -4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.819 -0.715 -5.954 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.130 0.246 -6.002 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.589 1.564 -4.982 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.815 1.732 -7.061 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.318 1.501 -6.916 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.545 2.363 -8.441 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.143 2.869 -8.985 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.784 3.122 -9.588 1.00 0.00 H new ATOM 298 N LEU A 22 -12.678 -2.314 -0.951 1.00 0.00 N ATOM 299 CA LEU A 22 -13.165 -3.081 0.180 1.00 0.00 C ATOM 300 C LEU A 22 -14.220 -2.285 0.941 1.00 0.00 C ATOM 301 O LEU A 22 -14.471 -1.111 0.665 1.00 0.00 O ATOM 302 CB LEU A 22 -12.003 -3.462 1.098 1.00 0.00 C ATOM 303 CG LEU A 22 -10.853 -4.233 0.445 1.00 0.00 C ATOM 304 CD1 LEU A 22 -9.569 -4.058 1.252 1.00 0.00 C ATOM 305 CD2 LEU A 22 -11.212 -5.706 0.310 1.00 0.00 C ATOM 0 H LEU A 22 -11.940 -1.650 -0.719 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.627 -3.998 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.599 -2.550 1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.396 -4.063 1.918 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.685 -3.830 -0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.761 -4.612 0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.308 -3.001 1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.720 -4.436 2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.384 -6.241 -0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.405 -6.125 1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.104 -5.808 -0.308 1.00 0.00 H new ATOM 317 N SER A 23 -14.777 -2.900 1.979 1.00 0.00 N ATOM 318 CA SER A 23 -15.802 -2.287 2.822 1.00 0.00 C ATOM 319 C SER A 23 -15.370 -2.246 4.279 1.00 0.00 C ATOM 320 O SER A 23 -16.171 -2.426 5.186 1.00 0.00 O ATOM 321 CB SER A 23 -17.136 -3.014 2.667 1.00 0.00 C ATOM 322 OG SER A 23 -16.961 -4.413 2.791 1.00 0.00 O ATOM 0 H SER A 23 -14.528 -3.848 2.263 1.00 0.00 H new ATOM 0 HA SER A 23 -15.935 -1.257 2.490 1.00 0.00 H new ATOM 0 HB2 SER A 23 -17.838 -2.662 3.423 1.00 0.00 H new ATOM 0 HB3 SER A 23 -17.572 -2.782 1.695 1.00 0.00 H new ATOM 0 HG SER A 23 -17.827 -4.861 2.691 1.00 0.00 H new ATOM 328 N TYR A 24 -14.071 -2.054 4.509 1.00 0.00 N ATOM 329 CA TYR A 24 -13.538 -1.982 5.859 1.00 0.00 C ATOM 330 C TYR A 24 -13.904 -0.661 6.515 1.00 0.00 C ATOM 331 O TYR A 24 -13.804 -0.545 7.708 1.00 0.00 O ATOM 332 CB TYR A 24 -12.023 -2.167 5.830 1.00 0.00 C ATOM 333 CG TYR A 24 -11.594 -3.590 5.617 1.00 0.00 C ATOM 334 CD1 TYR A 24 -11.552 -4.487 6.691 1.00 0.00 C ATOM 335 CD2 TYR A 24 -11.244 -4.024 4.340 1.00 0.00 C ATOM 336 CE1 TYR A 24 -11.174 -5.820 6.475 1.00 0.00 C ATOM 337 CE2 TYR A 24 -10.866 -5.359 4.116 1.00 0.00 C ATOM 338 CZ TYR A 24 -10.844 -6.266 5.185 1.00 0.00 C ATOM 339 OH TYR A 24 -10.446 -7.549 4.977 1.00 0.00 O ATOM 0 H TYR A 24 -13.372 -1.946 3.774 1.00 0.00 H new ATOM 0 HA TYR A 24 -13.980 -2.783 6.451 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -11.605 -1.548 5.036 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.604 -1.807 6.769 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -11.810 -4.153 7.685 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.263 -3.328 3.514 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -11.136 -6.508 7.306 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -10.593 -5.685 3.123 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.521 -7.556 4.654 1.00 0.00 H new ATOM 349 N GLY A 25 -14.314 0.345 5.746 1.00 0.00 N ATOM 350 CA GLY A 25 -14.700 1.637 6.285 1.00 0.00 C ATOM 351 C GLY A 25 -13.595 2.252 7.132 1.00 0.00 C ATOM 352 O GLY A 25 -13.593 2.190 8.349 1.00 0.00 O ATOM 0 H GLY A 25 -14.386 0.282 4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.948 2.312 5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.600 1.524 6.889 1.00 0.00 H new ATOM 356 N GLY A 26 -12.622 2.870 6.484 1.00 0.00 N ATOM 357 CA GLY A 26 -11.508 3.483 7.193 1.00 0.00 C ATOM 358 C GLY A 26 -10.499 4.118 6.262 1.00 0.00 C ATOM 359 O GLY A 26 -9.324 4.180 6.597 1.00 0.00 O ATOM 0 H GLY A 26 -12.579 2.961 5.469 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.891 4.240 7.877 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.010 2.727 7.800 1.00 0.00 H new ATOM 363 N CYS A 27 -10.943 4.523 5.075 1.00 0.00 N ATOM 364 CA CYS A 27 -10.090 5.175 4.101 1.00 0.00 C ATOM 365 C CYS A 27 -10.651 6.517 3.681 1.00 0.00 C ATOM 366 O CYS A 27 -11.861 6.710 3.727 1.00 0.00 O ATOM 367 CB CYS A 27 -9.916 4.256 2.897 1.00 0.00 C ATOM 368 SG CYS A 27 -8.798 2.911 3.251 1.00 0.00 S ATOM 0 H CYS A 27 -11.908 4.405 4.766 1.00 0.00 H new ATOM 0 HA CYS A 27 -9.118 5.366 4.556 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -10.886 3.855 2.602 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -9.538 4.831 2.052 1.00 0.00 H new ATOM 373 N SER A 28 -9.774 7.396 3.188 1.00 0.00 N ATOM 374 CA SER A 28 -10.174 8.731 2.738 1.00 0.00 C ATOM 375 C SER A 28 -11.382 8.659 1.809 1.00 0.00 C ATOM 376 O SER A 28 -12.340 9.404 1.957 1.00 0.00 O ATOM 377 CB SER A 28 -9.016 9.420 2.014 1.00 0.00 C ATOM 378 OG SER A 28 -8.136 10.024 2.933 1.00 0.00 O ATOM 0 H SER A 28 -8.777 7.205 3.090 1.00 0.00 H new ATOM 0 HA SER A 28 -10.445 9.310 3.621 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.474 8.691 1.411 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.407 10.173 1.330 1.00 0.00 H new ATOM 0 HG SER A 28 -7.403 10.457 2.448 1.00 0.00 H new ATOM 384 N THR A 29 -11.352 7.720 0.867 1.00 0.00 N ATOM 385 CA THR A 29 -12.426 7.513 -0.104 1.00 0.00 C ATOM 386 C THR A 29 -12.796 6.046 -0.199 1.00 0.00 C ATOM 387 O THR A 29 -13.937 5.672 0.038 1.00 0.00 O ATOM 388 CB THR A 29 -12.048 8.060 -1.487 1.00 0.00 C ATOM 389 OG1 THR A 29 -12.948 7.568 -2.465 1.00 0.00 O ATOM 390 CG2 THR A 29 -10.628 7.647 -1.881 1.00 0.00 C ATOM 0 H THR A 29 -10.572 7.073 0.754 1.00 0.00 H new ATOM 0 HA THR A 29 -13.295 8.067 0.250 1.00 0.00 H new ATOM 0 HB THR A 29 -12.100 9.148 -1.435 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.701 7.923 -3.345 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.392 8.051 -2.866 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.920 8.036 -1.150 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.560 6.559 -1.909 1.00 0.00 H new ATOM 398 N VAL A 30 -11.837 5.205 -0.579 1.00 0.00 N ATOM 399 CA VAL A 30 -12.046 3.773 -0.749 1.00 0.00 C ATOM 400 C VAL A 30 -10.803 2.989 -0.349 1.00 0.00 C ATOM 401 O VAL A 30 -9.675 3.415 -0.560 1.00 0.00 O ATOM 402 CB VAL A 30 -12.469 3.435 -2.176 1.00 0.00 C ATOM 403 CG1 VAL A 30 -11.370 3.756 -3.154 1.00 0.00 C ATOM 404 CG2 VAL A 30 -12.827 1.968 -2.312 1.00 0.00 C ATOM 0 H VAL A 30 -10.883 5.504 -0.779 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.860 3.479 -0.086 1.00 0.00 H new ATOM 0 HB VAL A 30 -13.347 4.042 -2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.697 3.506 -4.163 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.135 4.819 -3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.481 3.176 -2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -13.124 1.760 -3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.962 1.357 -2.053 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -13.653 1.731 -1.641 1.00 0.00 H new ATOM 414 N CYS A 31 -10.999 1.856 0.312 1.00 0.00 N ATOM 415 CA CYS A 31 -9.903 0.977 0.676 1.00 0.00 C ATOM 416 C CYS A 31 -9.500 0.062 -0.474 1.00 0.00 C ATOM 417 O CYS A 31 -10.367 -0.475 -1.156 1.00 0.00 O ATOM 418 CB CYS A 31 -10.308 0.166 1.902 1.00 0.00 C ATOM 419 SG CYS A 31 -8.977 -0.264 3.040 1.00 0.00 S ATOM 0 H CYS A 31 -11.917 1.524 0.608 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.029 1.586 0.909 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.062 0.729 2.452 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -10.782 -0.755 1.563 1.00 0.00 H new ATOM 424 N CYS A 32 -8.200 -0.153 -0.632 1.00 0.00 N ATOM 425 CA CYS A 32 -7.657 -1.022 -1.662 1.00 0.00 C ATOM 426 C CYS A 32 -6.940 -2.213 -1.040 1.00 0.00 C ATOM 427 O CYS A 32 -6.119 -2.097 -0.121 1.00 0.00 O ATOM 428 CB CYS A 32 -6.707 -0.240 -2.565 1.00 0.00 C ATOM 429 SG CYS A 32 -6.759 -0.748 -4.288 1.00 0.00 S ATOM 0 H CYS A 32 -7.488 0.277 -0.041 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.483 -1.399 -2.265 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.951 0.820 -2.501 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.689 -0.356 -2.193 1.00 0.00 H new ATOM 434 N ASP A 33 -7.271 -3.400 -1.508 1.00 0.00 N ATOM 435 CA ASP A 33 -6.656 -4.637 -1.070 1.00 0.00 C ATOM 436 C ASP A 33 -5.267 -4.831 -1.667 1.00 0.00 C ATOM 437 O ASP A 33 -5.080 -5.254 -2.793 1.00 0.00 O ATOM 438 CB ASP A 33 -7.544 -5.841 -1.377 1.00 0.00 C ATOM 439 CG ASP A 33 -8.346 -5.689 -2.653 1.00 0.00 C ATOM 440 OD1 ASP A 33 -7.770 -5.165 -3.620 1.00 0.00 O ATOM 441 OD2 ASP A 33 -9.498 -6.166 -2.635 1.00 0.00 O ATOM 0 H ASP A 33 -7.990 -3.534 -2.219 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.542 -4.562 0.011 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.921 -6.732 -1.452 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.228 -6.000 -0.544 1.00 0.00 H new ATOM 446 N LEU A 34 -4.229 -4.658 -0.858 1.00 0.00 N ATOM 447 CA LEU A 34 -2.856 -4.803 -1.329 1.00 0.00 C ATOM 448 C LEU A 34 -2.594 -6.242 -1.748 1.00 0.00 C ATOM 449 O LEU A 34 -1.955 -6.488 -2.747 1.00 0.00 O ATOM 450 CB LEU A 34 -1.874 -4.413 -0.230 1.00 0.00 C ATOM 451 CG LEU A 34 -2.119 -3.034 0.396 1.00 0.00 C ATOM 452 CD1 LEU A 34 -1.631 -3.044 1.836 1.00 0.00 C ATOM 453 CD2 LEU A 34 -1.407 -1.954 -0.390 1.00 0.00 C ATOM 0 H LEU A 34 -4.312 -4.417 0.130 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.717 -4.144 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.915 -5.166 0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.864 -4.435 -0.640 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.187 -2.818 0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.803 -2.066 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.175 -3.803 2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.565 -3.271 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.594 -0.985 0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.335 -2.153 -0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.778 -1.946 -1.415 1.00 0.00 H new ATOM 465 N SER A 35 -3.154 -7.207 -1.016 1.00 0.00 N ATOM 466 CA SER A 35 -2.994 -8.623 -1.336 1.00 0.00 C ATOM 467 C SER A 35 -3.377 -8.931 -2.783 1.00 0.00 C ATOM 468 O SER A 35 -2.802 -9.825 -3.398 1.00 0.00 O ATOM 469 CB SER A 35 -3.847 -9.474 -0.396 1.00 0.00 C ATOM 470 OG SER A 35 -3.215 -9.589 0.866 1.00 0.00 O ATOM 0 H SER A 35 -3.727 -7.029 -0.191 1.00 0.00 H new ATOM 0 HA SER A 35 -1.939 -8.865 -1.207 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.832 -9.023 -0.278 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.999 -10.464 -0.827 1.00 0.00 H new ATOM 0 HG SER A 35 -3.770 -10.135 1.461 1.00 0.00 H new ATOM 476 N LYS A 36 -4.359 -8.192 -3.311 1.00 0.00 N ATOM 477 CA LYS A 36 -4.792 -8.333 -4.694 1.00 0.00 C ATOM 478 C LYS A 36 -4.032 -7.405 -5.641 1.00 0.00 C ATOM 479 O LYS A 36 -3.786 -7.774 -6.781 1.00 0.00 O ATOM 480 CB LYS A 36 -6.295 -8.063 -4.795 1.00 0.00 C ATOM 481 CG LYS A 36 -7.127 -8.973 -3.887 1.00 0.00 C ATOM 482 CD LYS A 36 -8.568 -9.068 -4.393 1.00 0.00 C ATOM 483 CE LYS A 36 -9.368 -10.082 -3.575 1.00 0.00 C ATOM 484 NZ LYS A 36 -10.766 -10.183 -4.056 1.00 0.00 N ATOM 0 H LYS A 36 -4.871 -7.482 -2.788 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.574 -9.356 -5.001 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.490 -7.023 -4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.615 -8.199 -5.828 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.682 -9.967 -3.853 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.119 -8.585 -2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.044 -8.089 -4.333 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.570 -9.359 -5.443 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.889 -11.059 -3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.363 -9.789 -2.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.282 -10.879 -3.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.229 -9.255 -3.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.770 -10.486 -5.051 1.00 0.00 H new ATOM 498 N LEU A 37 -3.644 -6.232 -5.152 1.00 0.00 N ATOM 499 CA LEU A 37 -2.948 -5.230 -5.941 1.00 0.00 C ATOM 500 C LEU A 37 -1.490 -5.624 -6.100 1.00 0.00 C ATOM 501 O LEU A 37 -1.043 -5.986 -7.180 1.00 0.00 O ATOM 502 CB LEU A 37 -3.062 -3.841 -5.288 1.00 0.00 C ATOM 503 CG LEU A 37 -4.295 -3.023 -5.674 1.00 0.00 C ATOM 504 CD1 LEU A 37 -4.394 -2.849 -7.183 1.00 0.00 C ATOM 505 CD2 LEU A 37 -5.559 -3.665 -5.152 1.00 0.00 C ATOM 0 H LEU A 37 -3.807 -5.950 -4.185 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.413 -5.177 -6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.058 -3.968 -4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.173 -3.266 -5.545 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.184 -2.040 -5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.281 -2.263 -7.424 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.507 -2.332 -7.549 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.465 -3.827 -7.658 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.420 -3.062 -5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.659 -4.666 -5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.511 -3.731 -4.065 1.00 0.00 H new ATOM 517 N THR A 38 -0.739 -5.543 -5.009 1.00 0.00 N ATOM 518 CA THR A 38 0.659 -5.906 -4.982 1.00 0.00 C ATOM 519 C THR A 38 1.037 -6.640 -3.702 1.00 0.00 C ATOM 520 O THR A 38 0.622 -6.314 -2.589 1.00 0.00 O ATOM 521 CB THR A 38 1.513 -4.661 -5.154 1.00 0.00 C ATOM 522 OG1 THR A 38 2.801 -5.159 -5.151 1.00 0.00 O ATOM 523 CG2 THR A 38 1.283 -3.632 -4.056 1.00 0.00 C ATOM 0 H THR A 38 -1.095 -5.218 -4.110 1.00 0.00 H new ATOM 0 HA THR A 38 0.843 -6.593 -5.808 1.00 0.00 H new ATOM 0 HB THR A 38 1.274 -4.112 -6.065 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.279 -4.824 -4.364 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.920 -2.765 -4.231 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.238 -3.322 -4.061 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.526 -4.071 -3.089 1.00 0.00 H new ATOM 531 N GLY A 39 1.966 -7.581 -3.807 1.00 0.00 N ATOM 532 CA GLY A 39 2.447 -8.317 -2.653 1.00 0.00 C ATOM 533 C GLY A 39 3.553 -7.586 -1.911 1.00 0.00 C ATOM 534 O GLY A 39 4.416 -8.240 -1.335 1.00 0.00 O ATOM 0 H GLY A 39 2.402 -7.852 -4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.616 -8.499 -1.971 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.814 -9.291 -2.976 1.00 0.00 H new ATOM 538 N CYS A 40 3.514 -6.254 -1.878 1.00 0.00 N ATOM 539 CA CYS A 40 4.531 -5.446 -1.211 1.00 0.00 C ATOM 540 C CYS A 40 4.656 -5.840 0.256 1.00 0.00 C ATOM 541 O CYS A 40 5.752 -5.963 0.784 1.00 0.00 O ATOM 542 CB CYS A 40 4.185 -3.956 -1.314 1.00 0.00 C ATOM 543 SG CYS A 40 5.660 -2.895 -1.277 1.00 0.00 S ATOM 0 H CYS A 40 2.774 -5.705 -2.315 1.00 0.00 H new ATOM 0 HA CYS A 40 5.484 -5.627 -1.708 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.636 -3.777 -2.238 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.524 -3.682 -0.492 1.00 0.00 H new ATOM 548 N LYS A 41 3.515 -6.118 0.899 1.00 0.00 N ATOM 549 CA LYS A 41 3.486 -6.554 2.289 1.00 0.00 C ATOM 550 C LYS A 41 3.788 -8.040 2.430 1.00 0.00 C ATOM 551 O LYS A 41 4.309 -8.493 3.438 1.00 0.00 O ATOM 552 CB LYS A 41 2.139 -6.194 2.919 1.00 0.00 C ATOM 553 CG LYS A 41 0.981 -7.077 2.437 1.00 0.00 C ATOM 554 CD LYS A 41 -0.095 -7.233 3.506 1.00 0.00 C ATOM 555 CE LYS A 41 -1.101 -6.099 3.422 1.00 0.00 C ATOM 556 NZ LYS A 41 -2.423 -6.510 3.951 1.00 0.00 N ATOM 0 H LYS A 41 2.594 -6.046 0.468 1.00 0.00 H new ATOM 0 HA LYS A 41 4.276 -6.028 2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.221 -6.276 4.003 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.909 -5.153 2.694 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.541 -6.642 1.540 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.364 -8.059 2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.605 -8.188 3.380 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.365 -7.245 4.494 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.733 -5.241 3.985 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.205 -5.779 2.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.850 -5.718 4.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.044 -6.780 3.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.304 -7.321 4.591 1.00 0.00 H new ATOM 570 N GLY A 42 3.431 -8.816 1.403 1.00 0.00 N ATOM 571 CA GLY A 42 3.599 -10.259 1.423 1.00 0.00 C ATOM 572 C GLY A 42 5.067 -10.639 1.366 1.00 0.00 C ATOM 573 O GLY A 42 5.491 -11.585 2.018 1.00 0.00 O ATOM 0 H GLY A 42 3.020 -8.457 0.541 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.149 -10.668 2.328 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.073 -10.701 0.577 1.00 0.00 H new ATOM 577 N LYS A 43 5.858 -9.870 0.611 1.00 0.00 N ATOM 578 CA LYS A 43 7.297 -10.081 0.504 1.00 0.00 C ATOM 579 C LYS A 43 8.054 -9.534 1.714 1.00 0.00 C ATOM 580 O LYS A 43 9.269 -9.399 1.661 1.00 0.00 O ATOM 581 CB LYS A 43 7.832 -9.461 -0.788 1.00 0.00 C ATOM 582 CG LYS A 43 7.180 -10.041 -2.044 1.00 0.00 C ATOM 583 CD LYS A 43 8.062 -9.801 -3.270 1.00 0.00 C ATOM 584 CE LYS A 43 7.255 -9.944 -4.561 1.00 0.00 C ATOM 585 NZ LYS A 43 8.138 -10.078 -5.744 1.00 0.00 N ATOM 0 H LYS A 43 5.514 -9.085 0.058 1.00 0.00 H new ATOM 0 HA LYS A 43 7.465 -11.158 0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.666 -8.384 -0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.910 -9.616 -0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.014 -11.110 -1.913 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.203 -9.583 -2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.499 -8.804 -3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.889 -10.512 -3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.606 -10.817 -4.490 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.609 -9.075 -4.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.557 -10.173 -6.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.740 -9.234 -5.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.737 -10.921 -5.636 1.00 0.00 H new ATOM 599 N GLY A 44 7.336 -9.195 2.782 1.00 0.00 N ATOM 600 CA GLY A 44 7.936 -8.658 3.986 1.00 0.00 C ATOM 601 C GLY A 44 8.281 -7.188 3.836 1.00 0.00 C ATOM 602 O GLY A 44 9.362 -6.764 4.235 1.00 0.00 O ATOM 0 H GLY A 44 6.321 -9.288 2.830 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.250 -8.787 4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.839 -9.221 4.225 1.00 0.00 H new ATOM 606 N GLY A 45 7.387 -6.417 3.226 1.00 0.00 N ATOM 607 CA GLY A 45 7.592 -4.991 3.037 1.00 0.00 C ATOM 608 C GLY A 45 6.579 -4.147 3.789 1.00 0.00 C ATOM 609 O GLY A 45 5.601 -4.665 4.324 1.00 0.00 O ATOM 0 H GLY A 45 6.504 -6.764 2.851 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.596 -4.726 3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.535 -4.758 1.974 1.00 0.00 H new ATOM 613 N GLU A 46 6.824 -2.848 3.847 1.00 0.00 N ATOM 614 CA GLU A 46 5.931 -1.902 4.491 1.00 0.00 C ATOM 615 C GLU A 46 5.990 -0.521 3.841 1.00 0.00 C ATOM 616 O GLU A 46 6.997 -0.121 3.256 1.00 0.00 O ATOM 617 CB GLU A 46 6.288 -1.827 5.983 1.00 0.00 C ATOM 618 CG GLU A 46 5.398 -0.875 6.785 1.00 0.00 C ATOM 619 CD GLU A 46 3.958 -1.383 6.916 1.00 0.00 C ATOM 620 OE1 GLU A 46 3.344 -1.684 5.868 1.00 0.00 O ATOM 621 OE2 GLU A 46 3.460 -1.416 8.058 1.00 0.00 O ATOM 0 H GLU A 46 7.657 -2.418 3.444 1.00 0.00 H new ATOM 0 HA GLU A 46 4.905 -2.251 4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.217 -2.825 6.414 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.326 -1.510 6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.823 -0.738 7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.392 0.103 6.303 1.00 0.00 H new ATOM 628 N CYS A 47 4.923 0.261 3.986 1.00 0.00 N ATOM 629 CA CYS A 47 4.877 1.624 3.490 1.00 0.00 C ATOM 630 C CYS A 47 5.715 2.580 4.334 1.00 0.00 C ATOM 631 O CYS A 47 5.627 2.595 5.560 1.00 0.00 O ATOM 632 CB CYS A 47 3.434 2.107 3.435 1.00 0.00 C ATOM 633 SG CYS A 47 3.172 3.452 2.252 1.00 0.00 S ATOM 0 H CYS A 47 4.067 -0.038 4.453 1.00 0.00 H new ATOM 0 HA CYS A 47 5.305 1.619 2.488 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.788 1.270 3.171 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.132 2.442 4.427 1.00 0.00 H new ATOM 638 N ASN A 48 6.551 3.373 3.676 1.00 0.00 N ATOM 639 CA ASN A 48 7.401 4.348 4.331 1.00 0.00 C ATOM 640 C ASN A 48 7.400 5.697 3.600 1.00 0.00 C ATOM 641 O ASN A 48 7.295 5.767 2.375 1.00 0.00 O ATOM 642 CB ASN A 48 8.824 3.793 4.448 1.00 0.00 C ATOM 643 CG ASN A 48 8.970 2.770 5.550 1.00 0.00 C ATOM 644 OD1 ASN A 48 9.633 2.982 6.561 1.00 0.00 O ATOM 645 ND2 ASN A 48 8.411 1.605 5.350 1.00 0.00 N ATOM 0 H ASN A 48 6.656 3.354 2.662 1.00 0.00 H new ATOM 0 HA ASN A 48 7.001 4.530 5.328 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.110 3.340 3.499 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.515 4.616 4.630 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.524 0.860 6.038 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.862 1.441 4.506 1.00 0.00 H new ATOM 652 N PRO A 49 7.560 6.789 4.358 1.00 0.00 N ATOM 653 CA PRO A 49 7.592 8.132 3.798 1.00 0.00 C ATOM 654 C PRO A 49 8.839 8.356 2.958 1.00 0.00 C ATOM 655 O PRO A 49 9.859 7.709 3.172 1.00 0.00 O ATOM 656 CB PRO A 49 7.557 9.059 5.006 1.00 0.00 C ATOM 657 CG PRO A 49 8.129 8.222 6.140 1.00 0.00 C ATOM 658 CD PRO A 49 7.726 6.800 5.802 1.00 0.00 C ATOM 0 HA PRO A 49 6.755 8.312 3.123 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.151 9.957 4.836 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.541 9.386 5.227 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.213 8.324 6.201 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.725 8.531 7.104 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.489 6.088 6.117 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.802 6.521 6.308 1.00 0.00 H new ATOM 666 N LEU A 50 8.785 9.347 2.069 1.00 0.00 N ATOM 667 CA LEU A 50 9.933 9.716 1.237 1.00 0.00 C ATOM 668 C LEU A 50 11.133 10.166 2.072 1.00 0.00 C ATOM 669 O LEU A 50 12.256 10.222 1.583 1.00 0.00 O ATOM 670 CB LEU A 50 9.551 10.839 0.260 1.00 0.00 C ATOM 671 CG LEU A 50 8.199 10.681 -0.437 1.00 0.00 C ATOM 672 CD1 LEU A 50 7.991 11.788 -1.467 1.00 0.00 C ATOM 673 CD2 LEU A 50 8.097 9.330 -1.122 1.00 0.00 C ATOM 0 H LEU A 50 7.953 9.913 1.905 1.00 0.00 H new ATOM 0 HA LEU A 50 10.220 8.822 0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.550 11.784 0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.326 10.911 -0.503 1.00 0.00 H new ATOM 0 HG LEU A 50 7.424 10.751 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.023 11.657 -1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.020 12.758 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.781 11.741 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.126 9.242 -1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.888 9.239 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.204 8.538 -0.381 1.00 0.00 H new ATOM 685 N ASP A 51 10.884 10.472 3.342 1.00 0.00 N ATOM 686 CA ASP A 51 11.917 10.885 4.274 1.00 0.00 C ATOM 687 C ASP A 51 12.618 9.679 4.903 1.00 0.00 C ATOM 688 O ASP A 51 13.635 9.820 5.587 1.00 0.00 O ATOM 689 CB ASP A 51 11.315 11.773 5.366 1.00 0.00 C ATOM 690 CG ASP A 51 10.289 12.767 4.826 1.00 0.00 C ATOM 691 OD1 ASP A 51 10.664 13.566 3.942 1.00 0.00 O ATOM 692 OD2 ASP A 51 9.126 12.683 5.280 1.00 0.00 O ATOM 0 H ASP A 51 9.951 10.439 3.752 1.00 0.00 H new ATOM 0 HA ASP A 51 12.663 11.453 3.718 1.00 0.00 H new ATOM 0 HB2 ASP A 51 10.842 11.143 6.119 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.115 12.320 5.865 1.00 0.00 H new ATOM 697 N ARG A 52 12.071 8.476 4.702 1.00 0.00 N ATOM 698 CA ARG A 52 12.633 7.239 5.219 1.00 0.00 C ATOM 699 C ARG A 52 13.517 6.592 4.164 1.00 0.00 C ATOM 700 O ARG A 52 13.096 6.323 3.048 1.00 0.00 O ATOM 701 CB ARG A 52 11.506 6.306 5.656 1.00 0.00 C ATOM 702 CG ARG A 52 11.911 5.401 6.814 1.00 0.00 C ATOM 703 CD ARG A 52 12.796 4.254 6.340 1.00 0.00 C ATOM 704 NE ARG A 52 13.659 3.760 7.415 1.00 0.00 N ATOM 705 CZ ARG A 52 13.262 2.918 8.344 1.00 0.00 C ATOM 706 NH1 ARG A 52 12.032 2.479 8.368 1.00 0.00 N ATOM 707 NH2 ARG A 52 14.096 2.518 9.268 1.00 0.00 N ATOM 0 H ARG A 52 11.213 8.340 4.167 1.00 0.00 H new ATOM 0 HA ARG A 52 13.253 7.451 6.090 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.640 6.900 5.949 1.00 0.00 H new ATOM 0 HB3 ARG A 52 11.199 5.692 4.810 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.441 5.985 7.566 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.018 5.000 7.294 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.172 3.440 5.971 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.410 4.589 5.504 1.00 0.00 H new ATOM 0 HE ARG A 52 14.624 4.088 7.445 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.366 2.789 7.660 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.738 1.826 9.094 1.00 0.00 H new ATOM 0 HH21 ARG A 52 15.057 2.859 9.270 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.785 1.865 9.987 1.00 0.00 H new ATOM 721 N GLN A 53 14.736 6.247 4.562 1.00 0.00 N ATOM 722 CA GLN A 53 15.672 5.553 3.692 1.00 0.00 C ATOM 723 C GLN A 53 15.382 4.058 3.630 1.00 0.00 C ATOM 724 O GLN A 53 15.400 3.373 4.657 1.00 0.00 O ATOM 725 CB GLN A 53 17.106 5.769 4.173 1.00 0.00 C ATOM 726 CG GLN A 53 17.476 7.248 4.279 1.00 0.00 C ATOM 727 CD GLN A 53 17.043 7.868 5.600 1.00 0.00 C ATOM 728 OE1 GLN A 53 16.781 7.198 6.592 1.00 0.00 O ATOM 729 NE2 GLN A 53 16.952 9.174 5.630 1.00 0.00 N ATOM 0 H GLN A 53 15.101 6.441 5.495 1.00 0.00 H new ATOM 0 HA GLN A 53 15.552 5.968 2.691 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.233 5.296 5.147 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.793 5.275 3.486 1.00 0.00 H new ATOM 0 HG2 GLN A 53 18.555 7.357 4.167 1.00 0.00 H new ATOM 0 HG3 GLN A 53 17.013 7.794 3.457 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.173 9.720 4.797 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.660 9.645 6.486 1.00 0.00 H new ATOM 738 N CYS A 54 15.107 3.551 2.434 1.00 0.00 N ATOM 739 CA CYS A 54 14.827 2.141 2.212 1.00 0.00 C ATOM 740 C CYS A 54 14.722 1.827 0.718 1.00 0.00 C ATOM 741 O CYS A 54 14.724 2.719 -0.126 1.00 0.00 O ATOM 742 CB CYS A 54 13.526 1.749 2.925 1.00 0.00 C ATOM 743 SG CYS A 54 13.393 -0.041 3.166 1.00 0.00 S ATOM 0 H CYS A 54 15.072 4.114 1.584 1.00 0.00 H new ATOM 0 HA CYS A 54 15.653 1.560 2.622 1.00 0.00 H new ATOM 0 HB2 CYS A 54 13.479 2.249 3.892 1.00 0.00 H new ATOM 0 HB3 CYS A 54 12.674 2.100 2.343 1.00 0.00 H new ATOM 748 N LYS A 55 14.662 0.538 0.380 1.00 0.00 N ATOM 749 CA LYS A 55 14.532 0.086 -0.999 1.00 0.00 C ATOM 750 C LYS A 55 13.074 0.118 -1.434 1.00 0.00 C ATOM 751 O LYS A 55 12.284 -0.705 -0.981 1.00 0.00 O ATOM 752 CB LYS A 55 15.115 -1.320 -1.135 1.00 0.00 C ATOM 753 CG LYS A 55 15.471 -1.656 -2.586 1.00 0.00 C ATOM 754 CD LYS A 55 15.787 -3.149 -2.722 1.00 0.00 C ATOM 755 CE LYS A 55 16.619 -3.423 -3.977 1.00 0.00 C ATOM 756 NZ LYS A 55 17.446 -4.644 -3.828 1.00 0.00 N ATOM 0 H LYS A 55 14.703 -0.221 1.060 1.00 0.00 H new ATOM 0 HA LYS A 55 15.089 0.758 -1.652 1.00 0.00 H new ATOM 0 HB2 LYS A 55 16.007 -1.404 -0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.396 -2.048 -0.760 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.642 -1.391 -3.242 1.00 0.00 H new ATOM 0 HG3 LYS A 55 16.330 -1.065 -2.903 1.00 0.00 H new ATOM 0 HD2 LYS A 55 16.329 -3.491 -1.840 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.858 -3.718 -2.766 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.957 -3.534 -4.836 1.00 0.00 H new ATOM 0 HE3 LYS A 55 17.264 -2.568 -4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 17.996 -4.799 -4.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 18.095 -4.528 -3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.828 -5.463 -3.659 1.00 0.00 H new ATOM 770 N GLU A 56 12.746 1.024 -2.341 1.00 0.00 N ATOM 771 CA GLU A 56 11.395 1.162 -2.872 1.00 0.00 C ATOM 772 C GLU A 56 11.361 0.901 -4.369 1.00 0.00 C ATOM 773 O GLU A 56 12.158 1.439 -5.139 1.00 0.00 O ATOM 774 CB GLU A 56 10.823 2.537 -2.542 1.00 0.00 C ATOM 775 CG GLU A 56 11.517 3.660 -3.325 1.00 0.00 C ATOM 776 CD GLU A 56 11.588 4.982 -2.571 1.00 0.00 C ATOM 777 OE1 GLU A 56 11.449 4.975 -1.331 1.00 0.00 O ATOM 778 OE2 GLU A 56 11.698 6.002 -3.289 1.00 0.00 O ATOM 0 H GLU A 56 13.412 1.689 -2.733 1.00 0.00 H new ATOM 0 HA GLU A 56 10.768 0.410 -2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.756 2.547 -2.765 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.927 2.724 -1.473 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.528 3.342 -3.578 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.987 3.816 -4.265 1.00 0.00 H new ATOM 785 N LEU A 57 10.457 0.028 -4.801 1.00 0.00 N ATOM 786 CA LEU A 57 10.322 -0.289 -6.215 1.00 0.00 C ATOM 787 C LEU A 57 9.422 0.727 -6.910 1.00 0.00 C ATOM 788 O LEU A 57 8.547 1.326 -6.297 1.00 0.00 O ATOM 789 CB LEU A 57 9.762 -1.700 -6.383 1.00 0.00 C ATOM 790 CG LEU A 57 10.618 -2.818 -5.776 1.00 0.00 C ATOM 791 CD1 LEU A 57 9.767 -4.049 -5.489 1.00 0.00 C ATOM 792 CD2 LEU A 57 11.751 -3.190 -6.728 1.00 0.00 C ATOM 0 H LEU A 57 9.809 -0.471 -4.192 1.00 0.00 H new ATOM 0 HA LEU A 57 11.308 -0.244 -6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.771 -1.737 -5.931 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.634 -1.899 -7.447 1.00 0.00 H new ATOM 0 HG LEU A 57 11.040 -2.455 -4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.392 -4.831 -5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.976 -3.789 -4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.323 -4.409 -6.417 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.352 -3.985 -6.286 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.333 -3.535 -7.674 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.379 -2.317 -6.905 1.00 0.00 H new ATOM 804 N GLN A 58 9.588 0.864 -8.223 1.00 0.00 N ATOM 805 CA GLN A 58 8.773 1.783 -9.017 1.00 0.00 C ATOM 806 C GLN A 58 7.328 1.295 -9.124 1.00 0.00 C ATOM 807 O GLN A 58 6.400 2.091 -9.178 1.00 0.00 O ATOM 808 CB GLN A 58 9.363 1.925 -10.425 1.00 0.00 C ATOM 809 CG GLN A 58 10.703 2.665 -10.432 1.00 0.00 C ATOM 810 CD GLN A 58 11.551 2.284 -11.631 1.00 0.00 C ATOM 811 OE1 GLN A 58 11.692 3.025 -12.583 1.00 0.00 O ATOM 812 NE2 GLN A 58 12.130 1.100 -11.601 1.00 0.00 N ATOM 0 H GLN A 58 10.283 0.348 -8.763 1.00 0.00 H new ATOM 0 HA GLN A 58 8.776 2.750 -8.513 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.497 0.935 -10.860 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.655 2.458 -11.059 1.00 0.00 H new ATOM 0 HG2 GLN A 58 10.524 3.740 -10.440 1.00 0.00 H new ATOM 0 HG3 GLN A 58 11.248 2.439 -9.515 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.001 0.490 -10.794 1.00 0.00 H new ATOM 0 HE22 GLN A 58 12.707 0.794 -12.385 1.00 0.00 H new ATOM 821 N ALA A 59 7.146 -0.026 -9.168 1.00 0.00 N ATOM 822 CA ALA A 59 5.816 -0.616 -9.241 1.00 0.00 C ATOM 823 C ALA A 59 5.152 -0.692 -7.866 1.00 0.00 C ATOM 824 O ALA A 59 3.940 -0.559 -7.746 1.00 0.00 O ATOM 825 CB ALA A 59 5.915 -2.008 -9.859 1.00 0.00 C ATOM 0 H ALA A 59 7.907 -0.705 -9.154 1.00 0.00 H new ATOM 0 HA ALA A 59 5.192 0.023 -9.866 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.921 -2.453 -9.915 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.336 -1.932 -10.862 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.559 -2.635 -9.242 1.00 0.00 H new ATOM 831 N GLU A 60 5.968 -0.855 -6.822 1.00 0.00 N ATOM 832 CA GLU A 60 5.459 -0.939 -5.460 1.00 0.00 C ATOM 833 C GLU A 60 5.163 0.441 -4.904 1.00 0.00 C ATOM 834 O GLU A 60 4.254 0.616 -4.103 1.00 0.00 O ATOM 835 CB GLU A 60 6.474 -1.632 -4.557 1.00 0.00 C ATOM 836 CG GLU A 60 6.739 -3.080 -4.938 1.00 0.00 C ATOM 837 CD GLU A 60 5.484 -3.909 -5.053 1.00 0.00 C ATOM 838 OE1 GLU A 60 4.925 -3.851 -6.166 1.00 0.00 O ATOM 839 OE2 GLU A 60 5.145 -4.596 -4.060 1.00 0.00 O ATOM 0 H GLU A 60 6.982 -0.931 -6.898 1.00 0.00 H new ATOM 0 HA GLU A 60 4.535 -1.517 -5.486 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.413 -1.079 -4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.117 -1.595 -3.528 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.271 -3.106 -5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.395 -3.530 -4.193 1.00 0.00 H new ATOM 846 N SER A 61 5.916 1.451 -5.338 1.00 0.00 N ATOM 847 CA SER A 61 5.724 2.825 -4.902 1.00 0.00 C ATOM 848 C SER A 61 4.297 3.295 -5.144 1.00 0.00 C ATOM 849 O SER A 61 3.738 4.020 -4.322 1.00 0.00 O ATOM 850 CB SER A 61 6.695 3.756 -5.623 1.00 0.00 C ATOM 851 OG SER A 61 6.521 3.822 -7.014 1.00 0.00 O ATOM 0 H SER A 61 6.679 1.334 -6.005 1.00 0.00 H new ATOM 0 HA SER A 61 5.919 2.855 -3.830 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.590 4.759 -5.209 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.714 3.430 -5.413 1.00 0.00 H new ATOM 0 HG SER A 61 6.439 2.915 -7.377 1.00 0.00 H new ATOM 857 N ALA A 62 3.716 2.872 -6.271 1.00 0.00 N ATOM 858 CA ALA A 62 2.343 3.206 -6.609 1.00 0.00 C ATOM 859 C ALA A 62 1.359 2.741 -5.538 1.00 0.00 C ATOM 860 O ALA A 62 0.406 3.453 -5.243 1.00 0.00 O ATOM 861 CB ALA A 62 1.980 2.594 -7.958 1.00 0.00 C ATOM 0 H ALA A 62 4.187 2.292 -6.966 1.00 0.00 H new ATOM 0 HA ALA A 62 2.270 4.292 -6.667 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.949 2.847 -8.207 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.646 2.986 -8.727 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.085 1.510 -7.906 1.00 0.00 H new ATOM 867 N SER A 63 1.622 1.580 -4.937 1.00 0.00 N ATOM 868 CA SER A 63 0.782 1.032 -3.880 1.00 0.00 C ATOM 869 C SER A 63 0.595 2.028 -2.744 1.00 0.00 C ATOM 870 O SER A 63 -0.533 2.355 -2.383 1.00 0.00 O ATOM 871 CB SER A 63 1.393 -0.254 -3.335 1.00 0.00 C ATOM 872 OG SER A 63 0.614 -0.792 -2.302 1.00 0.00 O ATOM 0 H SER A 63 2.424 0.996 -5.172 1.00 0.00 H new ATOM 0 HA SER A 63 -0.195 0.818 -4.313 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.487 -0.983 -4.140 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.399 -0.053 -2.967 1.00 0.00 H new ATOM 0 HG SER A 63 1.105 -1.521 -1.868 1.00 0.00 H new ATOM 878 N CYS A 64 1.707 2.524 -2.194 1.00 0.00 N ATOM 879 CA CYS A 64 1.666 3.500 -1.118 1.00 0.00 C ATOM 880 C CYS A 64 0.879 4.745 -1.525 1.00 0.00 C ATOM 881 O CYS A 64 0.012 5.207 -0.787 1.00 0.00 O ATOM 882 CB CYS A 64 3.089 3.874 -0.713 1.00 0.00 C ATOM 883 SG CYS A 64 3.850 2.743 0.464 1.00 0.00 S ATOM 0 H CYS A 64 2.649 2.259 -2.483 1.00 0.00 H new ATOM 0 HA CYS A 64 1.154 3.054 -0.266 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.709 3.918 -1.609 1.00 0.00 H new ATOM 0 HB3 CYS A 64 3.080 4.875 -0.282 1.00 0.00 H new ATOM 888 N GLY A 65 1.208 5.302 -2.689 1.00 0.00 N ATOM 889 CA GLY A 65 0.533 6.481 -3.197 1.00 0.00 C ATOM 890 C GLY A 65 1.469 7.668 -3.312 1.00 0.00 C ATOM 891 O GLY A 65 2.645 7.623 -2.942 1.00 0.00 O ATOM 0 H GLY A 65 1.945 4.947 -3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.106 6.261 -4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.296 6.736 -2.537 1.00 0.00 H new ATOM 895 N LYS A 66 0.955 8.772 -3.857 1.00 0.00 N ATOM 896 CA LYS A 66 1.733 9.997 -4.023 1.00 0.00 C ATOM 897 C LYS A 66 2.190 10.525 -2.668 1.00 0.00 C ATOM 898 O LYS A 66 1.380 10.733 -1.774 1.00 0.00 O ATOM 899 CB LYS A 66 0.908 11.061 -4.748 1.00 0.00 C ATOM 900 CG LYS A 66 0.670 10.722 -6.220 1.00 0.00 C ATOM 901 CD LYS A 66 0.440 11.996 -7.042 1.00 0.00 C ATOM 902 CE LYS A 66 1.768 12.674 -7.392 1.00 0.00 C ATOM 903 NZ LYS A 66 1.555 13.994 -8.033 1.00 0.00 N ATOM 0 H LYS A 66 -0.006 8.841 -4.193 1.00 0.00 H new ATOM 0 HA LYS A 66 2.612 9.765 -4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.053 11.175 -4.246 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.419 12.021 -4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.528 10.178 -6.616 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.194 10.064 -6.311 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.098 11.750 -7.957 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.187 12.687 -6.479 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.362 12.800 -6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.340 12.032 -8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.475 14.424 -8.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.009 13.870 -8.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.031 14.615 -7.384 1.00 0.00 H new ATOM 917 N GLY A 67 3.485 10.804 -2.560 1.00 0.00 N ATOM 918 CA GLY A 67 4.058 11.303 -1.313 1.00 0.00 C ATOM 919 C GLY A 67 4.530 10.199 -0.378 1.00 0.00 C ATOM 920 O GLY A 67 4.919 10.480 0.750 1.00 0.00 O ATOM 0 H GLY A 67 4.157 10.694 -3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.899 11.956 -1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.314 11.911 -0.798 1.00 0.00 H new ATOM 924 N GLN A 68 4.497 8.953 -0.842 1.00 0.00 N ATOM 925 CA GLN A 68 4.927 7.803 -0.064 1.00 0.00 C ATOM 926 C GLN A 68 5.654 6.791 -0.943 1.00 0.00 C ATOM 927 O GLN A 68 5.553 6.818 -2.175 1.00 0.00 O ATOM 928 CB GLN A 68 3.715 7.153 0.599 1.00 0.00 C ATOM 929 CG GLN A 68 3.179 7.938 1.793 1.00 0.00 C ATOM 930 CD GLN A 68 3.967 7.697 3.066 1.00 0.00 C ATOM 931 OE1 GLN A 68 4.728 6.760 3.195 1.00 0.00 O ATOM 932 NE2 GLN A 68 3.787 8.545 4.052 1.00 0.00 N ATOM 0 H GLN A 68 4.167 8.715 -1.777 1.00 0.00 H new ATOM 0 HA GLN A 68 5.622 8.141 0.704 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.921 7.045 -0.140 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.985 6.149 0.926 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.197 9.002 1.558 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.137 7.666 1.961 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.146 9.331 3.938 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.288 8.418 4.932 1.00 0.00 H new ATOM 941 N LYS A 69 6.397 5.892 -0.304 1.00 0.00 N ATOM 942 CA LYS A 69 7.147 4.851 -0.991 1.00 0.00 C ATOM 943 C LYS A 69 7.051 3.514 -0.273 1.00 0.00 C ATOM 944 O LYS A 69 7.102 3.425 0.945 1.00 0.00 O ATOM 945 CB LYS A 69 8.606 5.272 -1.109 1.00 0.00 C ATOM 946 CG LYS A 69 8.854 6.308 -2.206 1.00 0.00 C ATOM 947 CD LYS A 69 8.695 5.721 -3.603 1.00 0.00 C ATOM 948 CE LYS A 69 9.099 6.714 -4.688 1.00 0.00 C ATOM 949 NZ LYS A 69 8.741 6.223 -6.039 1.00 0.00 N ATOM 0 H LYS A 69 6.495 5.867 0.711 1.00 0.00 H new ATOM 0 HA LYS A 69 6.713 4.722 -1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.937 5.679 -0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.216 4.391 -1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 69 8.159 7.138 -2.082 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.859 6.715 -2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.304 4.821 -3.690 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.658 5.420 -3.754 1.00 0.00 H new ATOM 0 HE2 LYS A 69 8.609 7.671 -4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.173 6.891 -4.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.257 6.772 -6.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.996 5.218 -6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.718 6.334 -6.189 1.00 0.00 H new ATOM 963 N CYS A 70 6.897 2.444 -1.042 1.00 0.00 N ATOM 964 CA CYS A 70 6.783 1.099 -0.486 1.00 0.00 C ATOM 965 C CYS A 70 8.164 0.504 -0.228 1.00 0.00 C ATOM 966 O CYS A 70 8.873 0.170 -1.178 1.00 0.00 O ATOM 967 CB CYS A 70 5.977 0.198 -1.420 1.00 0.00 C ATOM 968 SG CYS A 70 5.039 -1.093 -0.551 1.00 0.00 S ATOM 0 H CYS A 70 6.848 2.481 -2.060 1.00 0.00 H new ATOM 0 HA CYS A 70 6.256 1.167 0.466 1.00 0.00 H new ATOM 0 HB2 CYS A 70 5.286 0.812 -1.997 1.00 0.00 H new ATOM 0 HB3 CYS A 70 6.655 -0.273 -2.132 1.00 0.00 H new ATOM 973 N CYS A 71 8.564 0.429 1.034 1.00 0.00 N ATOM 974 CA CYS A 71 9.831 -0.176 1.422 1.00 0.00 C ATOM 975 C CYS A 71 9.709 -1.689 1.590 1.00 0.00 C ATOM 976 O CYS A 71 8.642 -2.221 1.872 1.00 0.00 O ATOM 977 CB CYS A 71 10.343 0.483 2.701 1.00 0.00 C ATOM 978 SG CYS A 71 11.491 -0.456 3.734 1.00 0.00 S ATOM 0 H CYS A 71 8.019 0.786 1.818 1.00 0.00 H new ATOM 0 HA CYS A 71 10.552 -0.007 0.622 1.00 0.00 H new ATOM 0 HB2 CYS A 71 10.830 1.418 2.424 1.00 0.00 H new ATOM 0 HB3 CYS A 71 9.479 0.743 3.312 1.00 0.00 H new ATOM 983 N VAL A 72 10.828 -2.389 1.456 1.00 0.00 N ATOM 984 CA VAL A 72 10.896 -3.828 1.653 1.00 0.00 C ATOM 985 C VAL A 72 12.007 -4.198 2.625 1.00 0.00 C ATOM 986 O VAL A 72 13.090 -3.606 2.604 1.00 0.00 O ATOM 987 CB VAL A 72 11.075 -4.530 0.305 1.00 0.00 C ATOM 988 CG1 VAL A 72 12.483 -4.301 -0.252 1.00 0.00 C ATOM 989 CG2 VAL A 72 10.799 -6.028 0.430 1.00 0.00 C ATOM 0 H VAL A 72 11.722 -1.968 1.205 1.00 0.00 H new ATOM 0 HA VAL A 72 9.959 -4.165 2.095 1.00 0.00 H new ATOM 0 HB VAL A 72 10.354 -4.099 -0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.583 -4.811 -1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.650 -3.233 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.220 -4.696 0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.933 -6.505 -0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.492 -6.467 1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.776 -6.182 0.772 1.00 0.00 H new ATOM 999 N TRP A 73 11.765 -5.228 3.424 1.00 0.00 N ATOM 1000 CA TRP A 73 12.742 -5.762 4.356 1.00 0.00 C ATOM 1001 C TRP A 73 13.085 -7.212 4.048 1.00 0.00 C ATOM 1002 O TRP A 73 12.590 -7.800 3.089 1.00 0.00 O ATOM 1003 CB TRP A 73 12.214 -5.610 5.781 1.00 0.00 C ATOM 1004 CG TRP A 73 11.858 -4.218 6.154 1.00 0.00 C ATOM 1005 CD1 TRP A 73 10.641 -3.766 6.533 1.00 0.00 C ATOM 1006 CD2 TRP A 73 12.741 -3.072 6.158 1.00 0.00 C ATOM 1007 NE1 TRP A 73 10.713 -2.412 6.784 1.00 0.00 N ATOM 1008 CE2 TRP A 73 11.984 -1.940 6.574 1.00 0.00 C ATOM 1009 CE3 TRP A 73 14.106 -2.883 5.865 1.00 0.00 C ATOM 1010 CZ2 TRP A 73 12.545 -0.669 6.698 1.00 0.00 C ATOM 1011 CZ3 TRP A 73 14.675 -1.607 5.980 1.00 0.00 C ATOM 1012 CH2 TRP A 73 13.901 -0.511 6.392 1.00 0.00 C ATOM 0 H TRP A 73 10.872 -5.721 3.441 1.00 0.00 H new ATOM 0 HA TRP A 73 13.667 -5.195 4.252 1.00 0.00 H new ATOM 0 HB2 TRP A 73 11.334 -6.242 5.900 1.00 0.00 H new ATOM 0 HB3 TRP A 73 12.968 -5.979 6.477 1.00 0.00 H new ATOM 0 HD1 TRP A 73 9.751 -4.371 6.625 1.00 0.00 H new ATOM 0 HE1 TRP A 73 9.926 -1.838 7.086 1.00 0.00 H new ATOM 0 HE3 TRP A 73 14.713 -3.720 5.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 11.948 0.171 7.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 15.721 -1.466 5.749 1.00 0.00 H new ATOM 0 HH2 TRP A 73 14.357 0.465 6.474 1.00 0.00 H new ATOM 1023 N LEU A 74 13.973 -7.784 4.855 1.00 0.00 N ATOM 1024 CA LEU A 74 14.387 -9.173 4.733 1.00 0.00 C ATOM 1025 C LEU A 74 14.185 -9.942 6.033 1.00 0.00 C ATOM 1026 O LEU A 74 13.907 -9.347 7.078 1.00 0.00 O ATOM 1027 CB LEU A 74 15.840 -9.231 4.248 1.00 0.00 C ATOM 1028 CG LEU A 74 16.852 -8.485 5.133 1.00 0.00 C ATOM 1029 CD1 LEU A 74 17.141 -9.263 6.411 1.00 0.00 C ATOM 1030 CD2 LEU A 74 18.149 -8.259 4.354 1.00 0.00 C ATOM 0 H LEU A 74 14.429 -7.288 5.621 1.00 0.00 H new ATOM 0 HA LEU A 74 13.755 -9.664 3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 74 16.142 -10.276 4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.887 -8.818 3.241 1.00 0.00 H new ATOM 0 HG LEU A 74 16.422 -7.523 5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 74 17.860 -8.712 7.018 1.00 0.00 H new ATOM 0 HD12 LEU A 74 16.217 -9.395 6.974 1.00 0.00 H new ATOM 0 HD13 LEU A 74 17.554 -10.239 6.157 1.00 0.00 H new ATOM 0 HD21 LEU A 74 18.864 -7.730 4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 74 18.568 -9.221 4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 74 17.940 -7.665 3.464 1.00 0.00 H new ATOM 1042 N HIS A 75 14.369 -11.261 5.969 1.00 0.00 N ATOM 1043 CA HIS A 75 14.283 -12.138 7.130 1.00 0.00 C ATOM 1044 C HIS A 75 15.591 -12.909 7.365 1.00 0.00 C ATOM 1045 O HIS A 75 15.818 -13.880 6.615 1.00 0.00 O ATOM 1046 CB HIS A 75 13.086 -13.085 6.960 1.00 0.00 C ATOM 1047 CG HIS A 75 12.914 -14.005 8.140 1.00 0.00 C ATOM 1048 ND1 HIS A 75 13.051 -13.606 9.450 1.00 0.00 N ATOM 1049 CD2 HIS A 75 12.614 -15.340 8.132 1.00 0.00 C ATOM 1050 CE1 HIS A 75 12.843 -14.672 10.237 1.00 0.00 C ATOM 1051 NE2 HIS A 75 12.570 -15.738 9.458 1.00 0.00 N ATOM 1052 OXT HIS A 75 16.290 -12.553 8.331 1.00 0.00 O ATOM 0 H HIS A 75 14.584 -11.752 5.101 1.00 0.00 H new ATOM 0 HA HIS A 75 14.129 -11.528 8.020 1.00 0.00 H new ATOM 0 HB2 HIS A 75 12.178 -12.498 6.824 1.00 0.00 H new ATOM 0 HB3 HIS A 75 13.220 -13.679 6.056 1.00 0.00 H new ATOM 0 HD2 HIS A 75 12.445 -15.960 7.264 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.887 -14.676 11.316 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.365 -16.681 9.790 1.00 0.00 H new TER 1061 HIS A 75