USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 577 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 77 CYS SG : rot 180:sc= -0.202 USER MOD Set 1.2: A 79 SER OG : rot 180:sc= 0.0111 USER MOD Set 2.1: A 72 ASN : amide:sc= 1.36 K(o=2.3,f=-5.2!) USER MOD Set 2.2: A 74 ASN : amide:sc= 0.943 K(o=2.3,f=0.54) USER MOD Set 3.1: A 42 HIS : no HD1:sc= 0.0192 K(o=0.27,f=-9.9!) USER MOD Set 3.2: A 45 ASN : amide:sc= 0.252 K(o=0.27,f=-11!) USER MOD Set 4.1: A 13 THR OG1 : rot -143:sc= 0.971 USER MOD Set 4.2: A 69 LYS NZ :NH3+ -139:sc= 0.539! (180deg=-2.04) USER MOD Single : A 5 ASN : amide:sc= 0.182 K(o=0.18,f=-3.1!) USER MOD Single : A 18 LYS NZ :NH3+ -107:sc= 0.368 (180deg=-1.76!) USER MOD Single : A 19 TYR OH : rot -19:sc= 1.05 USER MOD Single : A 20 ASN : amide:sc= 0.841 K(o=0.84,f=-2.7) USER MOD Single : A 21 GLN : amide:sc= 0.596 K(o=0.6,f=-5.6!) USER MOD Single : A 24 THR OG1 : rot 77:sc= 1.16 USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= -1.54! (180deg=-2.2!) USER MOD Single : A 26 SER OG : rot 147:sc= 1.49 USER MOD Single : A 41 GLN : amide:sc= 1.74 K(o=1.7,f=-6.3!) USER MOD Single : A 43 CYS SG : rot 160:sc= -0.372 USER MOD Single : A 46 CYS SG : rot 180:sc= -0.409 USER MOD Single : A 47 GLN : amide:sc= -0.4 K(o=-0.4,f=-3.5!) USER MOD Single : A 49 MET CE :methyl -147:sc= 0 (180deg=-0.146) USER MOD Single : A 50 GLN : amide:sc= 0.913 K(o=0.91,f=-1.6) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0069 USER MOD Single : A 61 LYS NZ :NH3+ 137:sc= 0.907 (180deg=0.0951) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.0435 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 81 THR OG1 : rot 72:sc= 1.16 USER MOD Single : A 83 LYS NZ :NH3+ 165:sc= 1.09 (180deg=0.685) USER MOD ----------------------------------------------------------------- ATOM 14 N ALA A 2 -2.709 7.948 12.156 1.00 0.00 N ATOM 15 CA ALA A 2 -3.561 6.834 11.749 1.00 0.00 C ATOM 16 C ALA A 2 -5.036 7.252 11.652 1.00 0.00 C ATOM 17 O ALA A 2 -5.622 7.618 12.669 1.00 0.00 O ATOM 18 CB ALA A 2 -3.371 5.642 12.691 1.00 0.00 C ATOM 0 HA ALA A 2 -3.257 6.525 10.749 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.013 4.821 12.373 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.330 5.320 12.664 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.634 5.936 13.707 1.00 0.00 H new ATOM 24 N PRO A 3 -5.642 7.230 10.451 1.00 0.00 N ATOM 25 CA PRO A 3 -7.041 7.578 10.269 1.00 0.00 C ATOM 26 C PRO A 3 -7.951 6.469 10.777 1.00 0.00 C ATOM 27 O PRO A 3 -7.529 5.331 10.963 1.00 0.00 O ATOM 28 CB PRO A 3 -7.234 7.793 8.763 1.00 0.00 C ATOM 29 CG PRO A 3 -6.085 7.020 8.110 1.00 0.00 C ATOM 30 CD PRO A 3 -5.009 6.896 9.186 1.00 0.00 C ATOM 0 HA PRO A 3 -7.299 8.473 10.835 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.202 7.419 8.430 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.196 8.852 8.506 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -6.416 6.038 7.772 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.705 7.547 7.235 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.602 5.885 9.212 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -4.177 7.569 8.980 1.00 0.00 H new ATOM 38 N ALA A 4 -9.233 6.800 10.949 1.00 0.00 N ATOM 39 CA ALA A 4 -10.244 5.796 11.218 1.00 0.00 C ATOM 40 C ALA A 4 -10.321 4.840 10.024 1.00 0.00 C ATOM 41 O ALA A 4 -10.267 3.622 10.168 1.00 0.00 O ATOM 42 CB ALA A 4 -11.591 6.474 11.480 1.00 0.00 C ATOM 0 H ALA A 4 -9.587 7.756 10.905 1.00 0.00 H new ATOM 0 HA ALA A 4 -9.983 5.223 12.108 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -12.347 5.715 11.682 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -11.503 7.137 12.341 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -11.883 7.054 10.604 1.00 0.00 H new ATOM 48 N ASN A 5 -10.373 5.413 8.820 1.00 0.00 N ATOM 49 CA ASN A 5 -10.386 4.702 7.544 1.00 0.00 C ATOM 50 C ASN A 5 -8.961 4.333 7.147 1.00 0.00 C ATOM 51 O ASN A 5 -8.542 4.539 6.013 1.00 0.00 O ATOM 52 CB ASN A 5 -11.078 5.536 6.448 1.00 0.00 C ATOM 53 CG ASN A 5 -10.769 7.028 6.530 1.00 0.00 C ATOM 54 OD1 ASN A 5 -11.105 7.696 7.504 1.00 0.00 O ATOM 55 ND2 ASN A 5 -10.078 7.554 5.533 1.00 0.00 N ATOM 0 H ASN A 5 -10.409 6.426 8.705 1.00 0.00 H new ATOM 0 HA ASN A 5 -10.963 3.785 7.658 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.771 5.163 5.471 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -12.156 5.392 6.520 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.811 8.538 5.561 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.812 6.976 4.736 1.00 0.00 H new ATOM 62 N ALA A 6 -8.210 3.763 8.079 1.00 0.00 N ATOM 63 CA ALA A 6 -6.913 3.178 7.792 1.00 0.00 C ATOM 64 C ALA A 6 -7.092 1.761 7.270 1.00 0.00 C ATOM 65 O ALA A 6 -7.855 0.983 7.839 1.00 0.00 O ATOM 66 CB ALA A 6 -6.088 3.161 9.072 1.00 0.00 C ATOM 0 H ALA A 6 -8.487 3.694 9.058 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.400 3.768 7.033 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.111 2.723 8.869 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.961 4.180 9.436 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.602 2.567 9.828 1.00 0.00 H new ATOM 72 N VAL A 7 -6.366 1.405 6.208 1.00 0.00 N ATOM 73 CA VAL A 7 -6.248 0.013 5.828 1.00 0.00 C ATOM 74 C VAL A 7 -5.372 -0.683 6.861 1.00 0.00 C ATOM 75 O VAL A 7 -4.163 -0.440 6.943 1.00 0.00 O ATOM 76 CB VAL A 7 -5.671 -0.144 4.422 1.00 0.00 C ATOM 77 CG1 VAL A 7 -5.543 -1.623 4.041 1.00 0.00 C ATOM 78 CG2 VAL A 7 -6.586 0.535 3.402 1.00 0.00 C ATOM 0 H VAL A 7 -5.861 2.058 5.609 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.238 -0.443 5.805 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.684 0.319 4.417 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.130 -1.705 3.036 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.882 -2.125 4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.526 -2.092 4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.167 0.418 2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.574 0.076 3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.670 1.596 3.638 1.00 0.00 H new ATOM 88 N ALA A 8 -6.015 -1.553 7.629 1.00 0.00 N ATOM 89 CA ALA A 8 -5.382 -2.419 8.599 1.00 0.00 C ATOM 90 C ALA A 8 -4.695 -3.572 7.874 1.00 0.00 C ATOM 91 O ALA A 8 -5.187 -4.038 6.848 1.00 0.00 O ATOM 92 CB ALA A 8 -6.439 -2.958 9.564 1.00 0.00 C ATOM 0 H ALA A 8 -7.027 -1.675 7.588 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.637 -1.859 9.165 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.964 -3.611 10.296 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.920 -2.126 10.078 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.187 -3.522 9.006 1.00 0.00 H new ATOM 98 N ALA A 9 -3.573 -4.052 8.408 1.00 0.00 N ATOM 99 CA ALA A 9 -2.896 -5.238 7.890 1.00 0.00 C ATOM 100 C ALA A 9 -3.879 -6.398 7.675 1.00 0.00 C ATOM 101 O ALA A 9 -3.818 -7.090 6.662 1.00 0.00 O ATOM 102 CB ALA A 9 -1.781 -5.641 8.858 1.00 0.00 C ATOM 0 H ALA A 9 -3.108 -3.629 9.212 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.465 -5.001 6.917 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.271 -6.526 8.478 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.067 -4.823 8.951 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.210 -5.862 9.836 1.00 0.00 H new ATOM 108 N ASP A 10 -4.788 -6.595 8.633 1.00 0.00 N ATOM 109 CA ASP A 10 -5.789 -7.649 8.663 1.00 0.00 C ATOM 110 C ASP A 10 -7.138 -7.195 8.087 1.00 0.00 C ATOM 111 O ASP A 10 -8.142 -7.878 8.286 1.00 0.00 O ATOM 112 CB ASP A 10 -5.937 -8.132 10.117 1.00 0.00 C ATOM 113 CG ASP A 10 -6.375 -7.018 11.065 1.00 0.00 C ATOM 114 OD1 ASP A 10 -5.741 -5.939 10.989 1.00 0.00 O ATOM 115 OD2 ASP A 10 -7.304 -7.267 11.860 1.00 0.00 O ATOM 0 H ASP A 10 -4.843 -5.987 9.450 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.457 -8.469 8.026 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.665 -8.943 10.154 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.986 -8.541 10.458 1.00 0.00 H new ATOM 120 N ASP A 11 -7.186 -6.088 7.331 1.00 0.00 N ATOM 121 CA ASP A 11 -8.382 -5.749 6.564 1.00 0.00 C ATOM 122 C ASP A 11 -8.698 -6.893 5.587 1.00 0.00 C ATOM 123 O ASP A 11 -7.807 -7.608 5.131 1.00 0.00 O ATOM 124 CB ASP A 11 -8.184 -4.397 5.863 1.00 0.00 C ATOM 125 CG ASP A 11 -9.266 -3.987 4.880 1.00 0.00 C ATOM 126 OD1 ASP A 11 -10.403 -4.510 4.908 1.00 0.00 O ATOM 127 OD2 ASP A 11 -8.961 -3.113 4.044 1.00 0.00 O ATOM 0 H ASP A 11 -6.418 -5.423 7.238 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.244 -5.638 7.222 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.104 -3.623 6.627 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -7.232 -4.422 5.334 1.00 0.00 H new ATOM 132 N ALA A 12 -9.967 -7.063 5.225 1.00 0.00 N ATOM 133 CA ALA A 12 -10.384 -8.127 4.321 1.00 0.00 C ATOM 134 C ALA A 12 -9.831 -7.817 2.935 1.00 0.00 C ATOM 135 O ALA A 12 -9.254 -8.665 2.252 1.00 0.00 O ATOM 136 CB ALA A 12 -11.912 -8.216 4.304 1.00 0.00 C ATOM 0 H ALA A 12 -10.731 -6.469 5.549 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.999 -9.092 4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.223 -9.012 3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.275 -8.431 5.309 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.328 -7.268 3.964 1.00 0.00 H new ATOM 142 N THR A 13 -9.978 -6.554 2.544 1.00 0.00 N ATOM 143 CA THR A 13 -9.400 -6.045 1.322 1.00 0.00 C ATOM 144 C THR A 13 -7.872 -6.178 1.384 1.00 0.00 C ATOM 145 O THR A 13 -7.250 -6.597 0.409 1.00 0.00 O ATOM 146 CB THR A 13 -9.861 -4.598 1.158 1.00 0.00 C ATOM 147 OG1 THR A 13 -11.247 -4.481 1.454 1.00 0.00 O ATOM 148 CG2 THR A 13 -9.597 -4.060 -0.250 1.00 0.00 C ATOM 0 H THR A 13 -10.505 -5.859 3.074 1.00 0.00 H new ATOM 0 HA THR A 13 -9.728 -6.613 0.451 1.00 0.00 H new ATOM 0 HB THR A 13 -9.280 -4.001 1.861 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.657 -3.829 0.848 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.942 -3.028 -0.316 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.528 -4.099 -0.460 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.132 -4.669 -0.978 1.00 0.00 H new ATOM 156 N ALA A 14 -7.253 -5.866 2.532 1.00 0.00 N ATOM 157 CA ALA A 14 -5.810 -6.025 2.667 1.00 0.00 C ATOM 158 C ALA A 14 -5.406 -7.468 2.417 1.00 0.00 C ATOM 159 O ALA A 14 -4.467 -7.721 1.673 1.00 0.00 O ATOM 160 CB ALA A 14 -5.308 -5.600 4.043 1.00 0.00 C ATOM 0 H ALA A 14 -7.725 -5.509 3.363 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.353 -5.375 1.921 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.228 -5.737 4.095 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.549 -4.550 4.210 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.788 -6.209 4.809 1.00 0.00 H new ATOM 166 N ILE A 15 -6.118 -8.411 3.024 1.00 0.00 N ATOM 167 CA ILE A 15 -5.880 -9.830 2.853 1.00 0.00 C ATOM 168 C ILE A 15 -5.954 -10.162 1.361 1.00 0.00 C ATOM 169 O ILE A 15 -5.002 -10.711 0.809 1.00 0.00 O ATOM 170 CB ILE A 15 -6.850 -10.616 3.747 1.00 0.00 C ATOM 171 CG1 ILE A 15 -6.299 -10.548 5.181 1.00 0.00 C ATOM 172 CG2 ILE A 15 -7.005 -12.072 3.285 1.00 0.00 C ATOM 173 CD1 ILE A 15 -7.322 -10.982 6.225 1.00 0.00 C ATOM 0 H ILE A 15 -6.889 -8.202 3.658 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.882 -10.126 3.178 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.846 -10.177 3.692 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.416 -11.183 5.257 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.978 -9.529 5.395 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.700 -12.591 3.945 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.390 -12.091 2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.035 -12.569 3.316 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.879 -10.914 7.219 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.195 -10.331 6.172 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.624 -12.011 6.032 1.00 0.00 H new ATOM 185 N ALA A 16 -7.045 -9.775 0.693 1.00 0.00 N ATOM 186 CA ALA A 16 -7.200 -9.986 -0.744 1.00 0.00 C ATOM 187 C ALA A 16 -6.018 -9.424 -1.550 1.00 0.00 C ATOM 188 O ALA A 16 -5.569 -10.048 -2.508 1.00 0.00 O ATOM 189 CB ALA A 16 -8.523 -9.378 -1.218 1.00 0.00 C ATOM 0 H ALA A 16 -7.839 -9.310 1.132 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.213 -11.061 -0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.633 -9.538 -2.290 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.351 -9.854 -0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.528 -8.308 -1.009 1.00 0.00 H new ATOM 195 N LEU A 17 -5.516 -8.251 -1.162 1.00 0.00 N ATOM 196 CA LEU A 17 -4.406 -7.573 -1.839 1.00 0.00 C ATOM 197 C LEU A 17 -3.044 -8.026 -1.307 1.00 0.00 C ATOM 198 O LEU A 17 -2.012 -7.649 -1.861 1.00 0.00 O ATOM 199 CB LEU A 17 -4.640 -6.060 -1.793 1.00 0.00 C ATOM 200 CG LEU A 17 -5.940 -5.645 -2.510 1.00 0.00 C ATOM 201 CD1 LEU A 17 -6.124 -4.135 -2.368 1.00 0.00 C ATOM 202 CD2 LEU A 17 -5.938 -6.010 -4.000 1.00 0.00 C ATOM 0 H LEU A 17 -5.873 -7.736 -0.357 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.381 -7.860 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.681 -5.733 -0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.795 -5.550 -2.255 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.760 -6.190 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.041 -3.831 -2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.187 -3.874 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.275 -3.621 -2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.878 -5.694 -4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.108 -5.507 -4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.827 -7.089 -4.110 1.00 0.00 H new ATOM 214 N LYS A 18 -3.025 -8.869 -0.270 1.00 0.00 N ATOM 215 CA LYS A 18 -1.843 -9.215 0.488 1.00 0.00 C ATOM 216 C LYS A 18 -1.054 -7.955 0.836 1.00 0.00 C ATOM 217 O LYS A 18 0.162 -7.900 0.675 1.00 0.00 O ATOM 218 CB LYS A 18 -1.053 -10.283 -0.270 1.00 0.00 C ATOM 219 CG LYS A 18 -1.856 -11.585 -0.408 1.00 0.00 C ATOM 220 CD LYS A 18 -2.143 -12.336 0.907 1.00 0.00 C ATOM 221 CE LYS A 18 -0.881 -12.678 1.717 1.00 0.00 C ATOM 222 NZ LYS A 18 -0.455 -11.583 2.612 1.00 0.00 N ATOM 0 H LYS A 18 -3.865 -9.339 0.067 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.105 -9.659 1.448 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.791 -9.909 -1.260 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.118 -10.485 0.252 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.807 -11.355 -0.888 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.315 -12.255 -1.077 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.805 -11.729 1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.677 -13.258 0.678 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.068 -13.573 2.311 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.069 -12.915 1.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.400 -11.133 2.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.215 -10.877 2.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.250 -11.967 3.557 1.00 0.00 H new ATOM 236 N TYR A 19 -1.775 -6.951 1.337 1.00 0.00 N ATOM 237 CA TYR A 19 -1.186 -5.709 1.786 1.00 0.00 C ATOM 238 C TYR A 19 -0.473 -5.917 3.119 1.00 0.00 C ATOM 239 O TYR A 19 -0.886 -6.755 3.921 1.00 0.00 O ATOM 240 CB TYR A 19 -2.253 -4.604 1.862 1.00 0.00 C ATOM 241 CG TYR A 19 -1.971 -3.437 2.800 1.00 0.00 C ATOM 242 CD1 TYR A 19 -2.412 -3.507 4.133 1.00 0.00 C ATOM 243 CD2 TYR A 19 -1.329 -2.266 2.351 1.00 0.00 C ATOM 244 CE1 TYR A 19 -2.412 -2.361 4.939 1.00 0.00 C ATOM 245 CE2 TYR A 19 -1.228 -1.152 3.209 1.00 0.00 C ATOM 246 CZ TYR A 19 -1.888 -1.158 4.447 1.00 0.00 C ATOM 247 OH TYR A 19 -2.048 0.001 5.149 1.00 0.00 O ATOM 0 H TYR A 19 -2.789 -6.986 1.439 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.438 -5.383 1.063 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.400 -4.205 0.858 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.195 -5.062 2.164 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.752 -4.449 4.538 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.916 -2.222 1.354 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.816 -2.405 5.940 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.643 -0.294 2.913 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.783 -0.103 5.789 1.00 0.00 H new ATOM 257 N ASN A 20 0.543 -5.095 3.391 1.00 0.00 N ATOM 258 CA ASN A 20 0.911 -4.773 4.760 1.00 0.00 C ATOM 259 C ASN A 20 1.191 -3.282 4.884 1.00 0.00 C ATOM 260 O ASN A 20 1.646 -2.659 3.928 1.00 0.00 O ATOM 261 CB ASN A 20 2.064 -5.627 5.285 1.00 0.00 C ATOM 262 CG ASN A 20 2.278 -5.338 6.768 1.00 0.00 C ATOM 263 OD1 ASN A 20 1.326 -5.157 7.522 1.00 0.00 O ATOM 264 ND2 ASN A 20 3.521 -5.184 7.190 1.00 0.00 N ATOM 0 H ASN A 20 1.120 -4.645 2.680 1.00 0.00 H new ATOM 0 HA ASN A 20 0.063 -5.019 5.399 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.844 -6.684 5.138 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.975 -5.410 4.726 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.701 -4.911 8.156 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.300 -5.339 6.550 1.00 0.00 H new ATOM 271 N GLN A 21 0.907 -2.739 6.072 1.00 0.00 N ATOM 272 CA GLN A 21 1.152 -1.360 6.476 1.00 0.00 C ATOM 273 C GLN A 21 2.639 -1.023 6.429 1.00 0.00 C ATOM 274 O GLN A 21 3.007 0.091 6.063 1.00 0.00 O ATOM 275 CB GLN A 21 0.655 -1.186 7.913 1.00 0.00 C ATOM 276 CG GLN A 21 -0.865 -1.012 7.977 1.00 0.00 C ATOM 277 CD GLN A 21 -1.398 -1.101 9.399 1.00 0.00 C ATOM 278 OE1 GLN A 21 -2.104 -2.044 9.748 1.00 0.00 O ATOM 279 NE2 GLN A 21 -1.065 -0.121 10.234 1.00 0.00 N ATOM 0 H GLN A 21 0.475 -3.286 6.817 1.00 0.00 H new ATOM 0 HA GLN A 21 0.628 -0.695 5.790 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.946 -2.054 8.505 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.138 -0.318 8.361 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.136 -0.047 7.550 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.342 -1.777 7.364 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.477 0.647 9.910 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.398 -0.137 11.198 1.00 0.00 H new ATOM 288 N ASP A 22 3.475 -1.975 6.849 1.00 0.00 N ATOM 289 CA ASP A 22 4.929 -1.856 6.821 1.00 0.00 C ATOM 290 C ASP A 22 5.513 -2.830 5.793 1.00 0.00 C ATOM 291 O ASP A 22 5.644 -4.036 6.021 1.00 0.00 O ATOM 292 CB ASP A 22 5.537 -1.973 8.228 1.00 0.00 C ATOM 293 CG ASP A 22 5.552 -3.382 8.788 1.00 0.00 C ATOM 294 OD1 ASP A 22 4.484 -3.829 9.266 1.00 0.00 O ATOM 295 OD2 ASP A 22 6.624 -4.035 8.795 1.00 0.00 O ATOM 0 H ASP A 22 3.151 -2.866 7.225 1.00 0.00 H new ATOM 0 HA ASP A 22 5.206 -0.855 6.489 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.559 -1.594 8.202 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.977 -1.331 8.907 1.00 0.00 H new ATOM 300 N ALA A 23 5.861 -2.300 4.621 1.00 0.00 N ATOM 301 CA ALA A 23 6.416 -3.070 3.521 1.00 0.00 C ATOM 302 C ALA A 23 7.596 -3.932 3.981 1.00 0.00 C ATOM 303 O ALA A 23 7.789 -5.039 3.483 1.00 0.00 O ATOM 304 CB ALA A 23 6.821 -2.106 2.408 1.00 0.00 C ATOM 0 H ALA A 23 5.761 -1.307 4.411 1.00 0.00 H new ATOM 0 HA ALA A 23 5.662 -3.760 3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.240 -2.669 1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.945 -1.553 2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.567 -1.407 2.786 1.00 0.00 H new ATOM 310 N THR A 24 8.376 -3.448 4.946 1.00 0.00 N ATOM 311 CA THR A 24 9.430 -4.185 5.623 1.00 0.00 C ATOM 312 C THR A 24 9.066 -5.641 5.909 1.00 0.00 C ATOM 313 O THR A 24 9.882 -6.526 5.659 1.00 0.00 O ATOM 314 CB THR A 24 9.769 -3.421 6.909 1.00 0.00 C ATOM 315 OG1 THR A 24 8.606 -2.785 7.419 1.00 0.00 O ATOM 316 CG2 THR A 24 10.780 -2.329 6.544 1.00 0.00 C ATOM 0 H THR A 24 8.283 -2.492 5.288 1.00 0.00 H new ATOM 0 HA THR A 24 10.299 -4.246 4.968 1.00 0.00 H new ATOM 0 HB THR A 24 10.164 -4.110 7.655 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.036 -3.450 7.860 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.044 -1.764 7.438 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.676 -2.788 6.127 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.340 -1.657 5.807 1.00 0.00 H new ATOM 324 N LYS A 25 7.863 -5.888 6.429 1.00 0.00 N ATOM 325 CA LYS A 25 7.431 -7.224 6.814 1.00 0.00 C ATOM 326 C LYS A 25 6.577 -7.886 5.725 1.00 0.00 C ATOM 327 O LYS A 25 6.173 -9.036 5.888 1.00 0.00 O ATOM 328 CB LYS A 25 6.712 -7.083 8.155 1.00 0.00 C ATOM 329 CG LYS A 25 6.256 -8.391 8.806 1.00 0.00 C ATOM 330 CD LYS A 25 5.880 -8.183 10.282 1.00 0.00 C ATOM 331 CE LYS A 25 4.883 -7.031 10.490 1.00 0.00 C ATOM 332 NZ LYS A 25 5.532 -5.704 10.585 1.00 0.00 N ATOM 0 H LYS A 25 7.163 -5.164 6.594 1.00 0.00 H new ATOM 0 HA LYS A 25 8.281 -7.897 6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.375 -6.565 8.849 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.839 -6.446 8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.399 -8.789 8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.052 -9.132 8.733 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.450 -9.104 10.675 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.784 -7.982 10.857 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.172 -7.022 9.664 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.312 -7.214 11.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.810 -4.959 10.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.030 -5.625 11.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.213 -5.594 9.807 1.00 0.00 H new ATOM 346 N SER A 26 6.300 -7.193 4.616 1.00 0.00 N ATOM 347 CA SER A 26 5.595 -7.799 3.499 1.00 0.00 C ATOM 348 C SER A 26 6.424 -8.916 2.856 1.00 0.00 C ATOM 349 O SER A 26 7.654 -8.900 2.840 1.00 0.00 O ATOM 350 CB SER A 26 5.216 -6.744 2.453 1.00 0.00 C ATOM 351 OG SER A 26 4.690 -7.351 1.289 1.00 0.00 O ATOM 0 H SER A 26 6.555 -6.216 4.475 1.00 0.00 H new ATOM 0 HA SER A 26 4.679 -8.241 3.891 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.481 -6.058 2.873 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.094 -6.152 2.194 1.00 0.00 H new ATOM 0 HG SER A 26 4.006 -6.769 0.897 1.00 0.00 H new ATOM 357 N GLU A 27 5.688 -9.825 2.225 1.00 0.00 N ATOM 358 CA GLU A 27 6.120 -10.848 1.297 1.00 0.00 C ATOM 359 C GLU A 27 6.564 -10.260 -0.051 1.00 0.00 C ATOM 360 O GLU A 27 6.886 -11.015 -0.966 1.00 0.00 O ATOM 361 CB GLU A 27 4.983 -11.868 1.121 1.00 0.00 C ATOM 362 CG GLU A 27 3.672 -11.271 0.579 1.00 0.00 C ATOM 363 CD GLU A 27 2.833 -10.581 1.647 1.00 0.00 C ATOM 364 OE1 GLU A 27 3.068 -9.370 1.861 1.00 0.00 O ATOM 365 OE2 GLU A 27 2.014 -11.285 2.275 1.00 0.00 O ATOM 0 H GLU A 27 4.679 -9.862 2.369 1.00 0.00 H new ATOM 0 HA GLU A 27 6.997 -11.347 1.708 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.318 -12.654 0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.783 -12.340 2.083 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.906 -10.554 -0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.082 -12.065 0.121 1.00 0.00 H new ATOM 372 N ARG A 28 6.609 -8.931 -0.198 1.00 0.00 N ATOM 373 CA ARG A 28 7.073 -8.259 -1.402 1.00 0.00 C ATOM 374 C ARG A 28 8.383 -8.843 -1.939 1.00 0.00 C ATOM 375 O ARG A 28 8.542 -8.993 -3.144 1.00 0.00 O ATOM 376 CB ARG A 28 7.183 -6.757 -1.138 1.00 0.00 C ATOM 377 CG ARG A 28 8.126 -6.401 0.009 1.00 0.00 C ATOM 378 CD ARG A 28 8.214 -4.885 0.148 1.00 0.00 C ATOM 379 NE ARG A 28 9.104 -4.526 1.256 1.00 0.00 N ATOM 380 CZ ARG A 28 9.836 -3.408 1.356 1.00 0.00 C ATOM 381 NH1 ARG A 28 9.668 -2.397 0.509 1.00 0.00 N ATOM 382 NH2 ARG A 28 10.738 -3.285 2.332 1.00 0.00 N ATOM 0 H ARG A 28 6.316 -8.286 0.536 1.00 0.00 H new ATOM 0 HA ARG A 28 6.337 -8.427 -2.188 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.527 -6.262 -2.046 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.191 -6.363 -0.916 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.766 -6.841 0.939 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.116 -6.817 -0.178 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.584 -4.449 -0.780 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.221 -4.471 0.322 1.00 0.00 H new ATOM 0 HE ARG A 28 9.173 -5.192 2.026 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.972 -2.464 -0.234 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.235 -1.554 0.602 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.871 -4.042 3.002 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.295 -2.434 2.408 1.00 0.00 H new ATOM 396 N VAL A 29 9.306 -9.195 -1.044 1.00 0.00 N ATOM 397 CA VAL A 29 10.556 -9.873 -1.356 1.00 0.00 C ATOM 398 C VAL A 29 10.305 -11.197 -2.089 1.00 0.00 C ATOM 399 O VAL A 29 10.989 -11.500 -3.061 1.00 0.00 O ATOM 400 CB VAL A 29 11.350 -10.004 -0.044 1.00 0.00 C ATOM 401 CG1 VAL A 29 12.141 -11.306 0.075 1.00 0.00 C ATOM 402 CG2 VAL A 29 12.283 -8.806 0.166 1.00 0.00 C ATOM 0 H VAL A 29 9.196 -9.007 -0.047 1.00 0.00 H new ATOM 0 HA VAL A 29 11.160 -9.298 -2.058 1.00 0.00 H new ATOM 0 HB VAL A 29 10.596 -10.022 0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 29 12.673 -11.323 1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 29 11.457 -12.153 0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.858 -11.372 -0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.829 -8.930 1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.990 -8.746 -0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.695 -7.889 0.208 1.00 0.00 H new ATOM 412 N ALA A 30 9.322 -11.977 -1.637 1.00 0.00 N ATOM 413 CA ALA A 30 8.947 -13.224 -2.289 1.00 0.00 C ATOM 414 C ALA A 30 8.279 -12.930 -3.633 1.00 0.00 C ATOM 415 O ALA A 30 8.575 -13.579 -4.632 1.00 0.00 O ATOM 416 CB ALA A 30 8.022 -14.040 -1.380 1.00 0.00 C ATOM 0 H ALA A 30 8.767 -11.759 -0.810 1.00 0.00 H new ATOM 0 HA ALA A 30 9.844 -13.815 -2.475 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.749 -14.970 -1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.537 -14.267 -0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.121 -13.465 -1.167 1.00 0.00 H new ATOM 422 N ALA A 31 7.366 -11.954 -3.653 1.00 0.00 N ATOM 423 CA ALA A 31 6.654 -11.570 -4.867 1.00 0.00 C ATOM 424 C ALA A 31 7.615 -11.068 -5.950 1.00 0.00 C ATOM 425 O ALA A 31 7.415 -11.351 -7.129 1.00 0.00 O ATOM 426 CB ALA A 31 5.607 -10.502 -4.537 1.00 0.00 C ATOM 0 H ALA A 31 7.103 -11.412 -2.830 1.00 0.00 H new ATOM 0 HA ALA A 31 6.153 -12.454 -5.263 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.078 -10.218 -5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.896 -10.901 -3.813 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.101 -9.626 -4.116 1.00 0.00 H new ATOM 432 N ALA A 32 8.621 -10.286 -5.541 1.00 0.00 N ATOM 433 CA ALA A 32 9.603 -9.616 -6.385 1.00 0.00 C ATOM 434 C ALA A 32 8.963 -9.042 -7.652 1.00 0.00 C ATOM 435 O ALA A 32 9.379 -9.344 -8.770 1.00 0.00 O ATOM 436 CB ALA A 32 10.777 -10.553 -6.682 1.00 0.00 C ATOM 0 H ALA A 32 8.776 -10.096 -4.551 1.00 0.00 H new ATOM 0 HA ALA A 32 10.002 -8.760 -5.841 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.502 -10.039 -7.313 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.254 -10.847 -5.747 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.412 -11.441 -7.198 1.00 0.00 H new ATOM 442 N ARG A 33 7.936 -8.206 -7.469 1.00 0.00 N ATOM 443 CA ARG A 33 7.207 -7.623 -8.588 1.00 0.00 C ATOM 444 C ARG A 33 8.148 -6.774 -9.449 1.00 0.00 C ATOM 445 O ARG A 33 9.139 -6.252 -8.943 1.00 0.00 O ATOM 446 CB ARG A 33 6.021 -6.800 -8.070 1.00 0.00 C ATOM 447 CG ARG A 33 4.922 -7.697 -7.518 1.00 0.00 C ATOM 448 CD ARG A 33 3.884 -8.047 -8.572 1.00 0.00 C ATOM 449 NE ARG A 33 3.036 -6.880 -8.878 1.00 0.00 N ATOM 450 CZ ARG A 33 2.748 -6.392 -10.096 1.00 0.00 C ATOM 451 NH1 ARG A 33 2.977 -7.129 -11.188 1.00 0.00 N ATOM 452 NH2 ARG A 33 2.244 -5.164 -10.216 1.00 0.00 N ATOM 0 H ARG A 33 7.594 -7.920 -6.552 1.00 0.00 H new ATOM 0 HA ARG A 33 6.813 -8.421 -9.217 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.362 -6.118 -7.291 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.621 -6.187 -8.878 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.365 -8.613 -7.128 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.434 -7.198 -6.681 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.381 -8.389 -9.480 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.264 -8.871 -8.219 1.00 0.00 H new ATOM 0 HE ARG A 33 2.625 -6.392 -8.082 1.00 0.00 H new ATOM 0 HH11 ARG A 33 3.372 -8.065 -11.098 1.00 0.00 H new ATOM 0 HH12 ARG A 33 2.757 -6.755 -12.111 1.00 0.00 H new ATOM 0 HH21 ARG A 33 2.078 -4.597 -9.384 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.024 -4.791 -11.140 1.00 0.00 H new ATOM 466 N PRO A 34 7.856 -6.631 -10.747 1.00 0.00 N ATOM 467 CA PRO A 34 8.702 -5.892 -11.665 1.00 0.00 C ATOM 468 C PRO A 34 8.647 -4.394 -11.370 1.00 0.00 C ATOM 469 O PRO A 34 7.593 -3.866 -11.018 1.00 0.00 O ATOM 470 CB PRO A 34 8.146 -6.206 -13.055 1.00 0.00 C ATOM 471 CG PRO A 34 6.666 -6.503 -12.788 1.00 0.00 C ATOM 472 CD PRO A 34 6.690 -7.177 -11.415 1.00 0.00 C ATOM 0 HA PRO A 34 9.751 -6.176 -11.577 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.270 -5.365 -13.737 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.652 -7.059 -13.507 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.067 -5.592 -12.780 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.242 -7.156 -13.551 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.779 -6.964 -10.855 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.761 -8.261 -11.509 1.00 0.00 H new ATOM 480 N GLY A 35 9.782 -3.709 -11.550 1.00 0.00 N ATOM 481 CA GLY A 35 9.885 -2.260 -11.443 1.00 0.00 C ATOM 482 C GLY A 35 11.154 -1.835 -10.707 1.00 0.00 C ATOM 483 O GLY A 35 12.045 -1.236 -11.302 1.00 0.00 O ATOM 0 H GLY A 35 10.668 -4.160 -11.778 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.879 -1.820 -12.440 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.013 -1.871 -10.918 1.00 0.00 H new ATOM 487 N LEU A 36 11.218 -2.132 -9.409 1.00 0.00 N ATOM 488 CA LEU A 36 12.298 -1.752 -8.501 1.00 0.00 C ATOM 489 C LEU A 36 12.467 -2.927 -7.532 1.00 0.00 C ATOM 490 O LEU A 36 11.597 -3.799 -7.495 1.00 0.00 O ATOM 491 CB LEU A 36 11.925 -0.435 -7.789 1.00 0.00 C ATOM 492 CG LEU A 36 12.924 0.726 -7.928 1.00 0.00 C ATOM 493 CD1 LEU A 36 13.198 1.107 -9.386 1.00 0.00 C ATOM 494 CD2 LEU A 36 12.365 1.945 -7.185 1.00 0.00 C ATOM 0 H LEU A 36 10.486 -2.667 -8.942 1.00 0.00 H new ATOM 0 HA LEU A 36 13.242 -1.564 -9.013 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.960 -0.102 -8.171 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.793 -0.646 -6.728 1.00 0.00 H new ATOM 0 HG LEU A 36 13.872 0.398 -7.500 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.910 1.932 -9.419 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.612 0.249 -9.915 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.267 1.412 -9.863 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.063 2.777 -7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.406 2.227 -7.619 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.228 1.698 -6.132 1.00 0.00 H new ATOM 506 N PRO A 37 13.571 -3.002 -6.777 1.00 0.00 N ATOM 507 CA PRO A 37 13.879 -4.163 -5.967 1.00 0.00 C ATOM 508 C PRO A 37 12.923 -4.161 -4.768 1.00 0.00 C ATOM 509 O PRO A 37 12.533 -3.081 -4.311 1.00 0.00 O ATOM 510 CB PRO A 37 15.355 -3.994 -5.605 1.00 0.00 C ATOM 511 CG PRO A 37 15.548 -2.480 -5.541 1.00 0.00 C ATOM 512 CD PRO A 37 14.491 -1.918 -6.497 1.00 0.00 C ATOM 0 HA PRO A 37 13.742 -5.129 -6.453 1.00 0.00 H new ATOM 0 HB2 PRO A 37 15.589 -4.467 -4.651 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.004 -4.448 -6.354 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.407 -2.104 -4.528 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.554 -2.195 -5.849 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.970 -1.074 -6.046 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.953 -1.554 -7.415 1.00 0.00 H new ATOM 520 N PRO A 38 12.475 -5.341 -4.303 1.00 0.00 N ATOM 521 CA PRO A 38 11.376 -5.465 -3.360 1.00 0.00 C ATOM 522 C PRO A 38 11.548 -4.539 -2.164 1.00 0.00 C ATOM 523 O PRO A 38 10.595 -3.882 -1.756 1.00 0.00 O ATOM 524 CB PRO A 38 11.289 -6.942 -2.971 1.00 0.00 C ATOM 525 CG PRO A 38 12.622 -7.538 -3.423 1.00 0.00 C ATOM 526 CD PRO A 38 13.060 -6.642 -4.579 1.00 0.00 C ATOM 0 HA PRO A 38 10.436 -5.150 -3.813 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.145 -7.061 -1.897 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.448 -7.433 -3.462 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.354 -7.533 -2.616 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.507 -8.574 -3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.147 -6.580 -4.638 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.711 -7.035 -5.534 1.00 0.00 H new ATOM 534 N GLU A 39 12.763 -4.433 -1.632 1.00 0.00 N ATOM 535 CA GLU A 39 13.068 -3.615 -0.474 1.00 0.00 C ATOM 536 C GLU A 39 12.575 -2.168 -0.621 1.00 0.00 C ATOM 537 O GLU A 39 12.147 -1.580 0.378 1.00 0.00 O ATOM 538 CB GLU A 39 14.563 -3.671 -0.150 1.00 0.00 C ATOM 539 CG GLU A 39 15.180 -5.070 -0.281 1.00 0.00 C ATOM 540 CD GLU A 39 15.829 -5.276 -1.639 1.00 0.00 C ATOM 541 OE1 GLU A 39 15.044 -5.526 -2.576 1.00 0.00 O ATOM 542 OE2 GLU A 39 17.067 -5.148 -1.722 1.00 0.00 O ATOM 0 H GLU A 39 13.575 -4.925 -2.005 1.00 0.00 H new ATOM 0 HA GLU A 39 12.519 -4.036 0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.094 -2.988 -0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.717 -3.311 0.867 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.924 -5.214 0.503 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.407 -5.824 -0.129 1.00 0.00 H new ATOM 549 N GLU A 40 12.568 -1.614 -1.842 1.00 0.00 N ATOM 550 CA GLU A 40 12.072 -0.270 -2.119 1.00 0.00 C ATOM 551 C GLU A 40 10.683 -0.235 -2.758 1.00 0.00 C ATOM 552 O GLU A 40 10.185 0.843 -3.078 1.00 0.00 O ATOM 553 CB GLU A 40 13.102 0.502 -2.958 1.00 0.00 C ATOM 554 CG GLU A 40 13.893 1.454 -2.056 1.00 0.00 C ATOM 555 CD GLU A 40 12.985 2.536 -1.477 1.00 0.00 C ATOM 556 OE1 GLU A 40 12.489 3.367 -2.267 1.00 0.00 O ATOM 557 OE2 GLU A 40 12.685 2.453 -0.264 1.00 0.00 O ATOM 0 H GLU A 40 12.912 -2.098 -2.671 1.00 0.00 H new ATOM 0 HA GLU A 40 11.945 0.223 -1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.780 -0.195 -3.451 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.597 1.065 -3.743 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.358 0.892 -1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 40 14.699 1.916 -2.626 1.00 0.00 H new ATOM 564 N GLN A 41 10.004 -1.370 -2.915 1.00 0.00 N ATOM 565 CA GLN A 41 8.618 -1.342 -3.350 1.00 0.00 C ATOM 566 C GLN A 41 7.745 -0.969 -2.157 1.00 0.00 C ATOM 567 O GLN A 41 7.741 -1.699 -1.164 1.00 0.00 O ATOM 568 CB GLN A 41 8.193 -2.717 -3.861 1.00 0.00 C ATOM 569 CG GLN A 41 9.017 -3.159 -5.065 1.00 0.00 C ATOM 570 CD GLN A 41 8.505 -4.476 -5.633 1.00 0.00 C ATOM 571 OE1 GLN A 41 7.445 -4.973 -5.249 1.00 0.00 O ATOM 572 NE2 GLN A 41 9.272 -5.040 -6.554 1.00 0.00 N ATOM 0 H GLN A 41 10.386 -2.301 -2.750 1.00 0.00 H new ATOM 0 HA GLN A 41 8.507 -0.615 -4.155 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.299 -3.450 -3.061 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.138 -2.692 -4.133 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.980 -2.389 -5.836 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.062 -3.268 -4.773 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.142 -4.589 -6.839 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.993 -5.925 -6.978 1.00 0.00 H new ATOM 581 N HIS A 42 6.996 0.130 -2.232 1.00 0.00 N ATOM 582 CA HIS A 42 5.989 0.457 -1.232 1.00 0.00 C ATOM 583 C HIS A 42 4.964 1.424 -1.835 1.00 0.00 C ATOM 584 O HIS A 42 5.226 1.996 -2.892 1.00 0.00 O ATOM 585 CB HIS A 42 6.654 0.967 0.068 1.00 0.00 C ATOM 586 CG HIS A 42 7.946 1.731 -0.111 1.00 0.00 C ATOM 587 ND1 HIS A 42 8.196 2.643 -1.112 1.00 0.00 N ATOM 588 CD2 HIS A 42 9.123 1.511 0.556 1.00 0.00 C ATOM 589 CE1 HIS A 42 9.499 2.972 -1.068 1.00 0.00 C ATOM 590 NE2 HIS A 42 10.080 2.303 -0.056 1.00 0.00 N ATOM 0 H HIS A 42 7.072 0.814 -2.985 1.00 0.00 H new ATOM 0 HA HIS A 42 5.439 -0.438 -0.941 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.944 1.608 0.590 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.846 0.111 0.715 1.00 0.00 H new ATOM 0 HD2 HIS A 42 9.275 0.849 1.396 1.00 0.00 H new ATOM 0 HE1 HIS A 42 9.997 3.660 -1.735 1.00 0.00 H new ATOM 0 HE2 HIS A 42 11.061 2.368 0.215 1.00 0.00 H new ATOM 599 N CYS A 43 3.802 1.601 -1.201 1.00 0.00 N ATOM 600 CA CYS A 43 2.719 2.446 -1.696 1.00 0.00 C ATOM 601 C CYS A 43 3.254 3.838 -2.083 1.00 0.00 C ATOM 602 O CYS A 43 2.867 4.410 -3.097 1.00 0.00 O ATOM 603 CB CYS A 43 1.591 2.509 -0.693 1.00 0.00 C ATOM 604 SG CYS A 43 0.819 0.883 -0.386 1.00 0.00 S ATOM 0 H CYS A 43 3.586 1.151 -0.312 1.00 0.00 H new ATOM 0 HA CYS A 43 2.306 2.004 -2.603 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.970 2.909 0.248 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.832 3.204 -1.051 1.00 0.00 H new ATOM 0 HG CYS A 43 0.182 0.912 0.747 1.00 0.00 H new ATOM 609 N ALA A 44 4.214 4.359 -1.311 1.00 0.00 N ATOM 610 CA ALA A 44 4.927 5.606 -1.577 1.00 0.00 C ATOM 611 C ALA A 44 5.328 5.774 -3.049 1.00 0.00 C ATOM 612 O ALA A 44 5.246 6.878 -3.580 1.00 0.00 O ATOM 613 CB ALA A 44 6.178 5.685 -0.697 1.00 0.00 C ATOM 0 H ALA A 44 4.525 3.904 -0.453 1.00 0.00 H new ATOM 0 HA ALA A 44 4.237 6.416 -1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.707 6.617 -0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.887 5.653 0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.832 4.842 -0.918 1.00 0.00 H new ATOM 619 N ASN A 45 5.797 4.696 -3.691 1.00 0.00 N ATOM 620 CA ASN A 45 6.211 4.687 -5.092 1.00 0.00 C ATOM 621 C ASN A 45 5.373 3.689 -5.891 1.00 0.00 C ATOM 622 O ASN A 45 5.864 3.124 -6.870 1.00 0.00 O ATOM 623 CB ASN A 45 7.726 4.428 -5.229 1.00 0.00 C ATOM 624 CG ASN A 45 8.212 3.103 -4.636 1.00 0.00 C ATOM 625 OD1 ASN A 45 7.604 2.547 -3.728 1.00 0.00 O ATOM 626 ND2 ASN A 45 9.355 2.595 -5.075 1.00 0.00 N ATOM 0 H ASN A 45 5.900 3.788 -3.237 1.00 0.00 H new ATOM 0 HA ASN A 45 6.029 5.675 -5.514 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.990 4.454 -6.286 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.264 5.244 -4.746 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.728 1.742 -4.657 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.862 3.057 -5.830 1.00 0.00 H new ATOM 633 N CYS A 46 4.105 3.510 -5.505 1.00 0.00 N ATOM 634 CA CYS A 46 3.142 2.687 -6.218 1.00 0.00 C ATOM 635 C CYS A 46 2.272 3.561 -7.118 1.00 0.00 C ATOM 636 O CYS A 46 1.663 4.526 -6.666 1.00 0.00 O ATOM 637 CB CYS A 46 2.270 1.965 -5.245 1.00 0.00 C ATOM 638 SG CYS A 46 1.071 0.935 -6.106 1.00 0.00 S ATOM 0 H CYS A 46 3.718 3.946 -4.668 1.00 0.00 H new ATOM 0 HA CYS A 46 3.684 1.964 -6.828 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.883 1.347 -4.589 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.751 2.684 -4.612 1.00 0.00 H new ATOM 0 HG CYS A 46 0.327 0.317 -5.238 1.00 0.00 H new ATOM 643 N GLN A 47 2.209 3.209 -8.398 1.00 0.00 N ATOM 644 CA GLN A 47 1.429 3.850 -9.438 1.00 0.00 C ATOM 645 C GLN A 47 0.062 4.295 -8.935 1.00 0.00 C ATOM 646 O GLN A 47 -0.312 5.458 -9.109 1.00 0.00 O ATOM 647 CB GLN A 47 1.376 2.874 -10.628 1.00 0.00 C ATOM 648 CG GLN A 47 0.760 3.440 -11.911 1.00 0.00 C ATOM 649 CD GLN A 47 1.642 4.458 -12.622 1.00 0.00 C ATOM 650 OE1 GLN A 47 2.068 5.438 -12.023 1.00 0.00 O ATOM 651 NE2 GLN A 47 1.931 4.254 -13.904 1.00 0.00 N ATOM 0 H GLN A 47 2.739 2.414 -8.755 1.00 0.00 H new ATOM 0 HA GLN A 47 1.896 4.779 -9.764 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.390 2.540 -10.848 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.808 1.993 -10.329 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.548 2.618 -12.594 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.195 3.907 -11.669 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.566 3.431 -14.384 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.517 4.920 -14.407 1.00 0.00 H new ATOM 660 N PHE A 48 -0.655 3.381 -8.284 1.00 0.00 N ATOM 661 CA PHE A 48 -2.043 3.578 -7.909 1.00 0.00 C ATOM 662 C PHE A 48 -2.212 4.406 -6.629 1.00 0.00 C ATOM 663 O PHE A 48 -3.348 4.653 -6.232 1.00 0.00 O ATOM 664 CB PHE A 48 -2.722 2.205 -7.821 1.00 0.00 C ATOM 665 CG PHE A 48 -2.448 1.312 -9.023 1.00 0.00 C ATOM 666 CD1 PHE A 48 -2.669 1.800 -10.327 1.00 0.00 C ATOM 667 CD2 PHE A 48 -1.851 0.047 -8.852 1.00 0.00 C ATOM 668 CE1 PHE A 48 -2.239 1.059 -11.442 1.00 0.00 C ATOM 669 CE2 PHE A 48 -1.477 -0.717 -9.971 1.00 0.00 C ATOM 670 CZ PHE A 48 -1.648 -0.202 -11.265 1.00 0.00 C ATOM 0 H PHE A 48 -0.280 2.476 -8.002 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.533 4.174 -8.679 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.383 1.698 -6.918 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.798 2.347 -7.722 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.170 2.746 -10.470 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.680 -0.337 -7.857 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.364 1.461 -12.437 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.057 -1.703 -9.835 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.326 -0.774 -12.122 1.00 0.00 H new ATOM 680 N MET A 49 -1.121 4.841 -5.988 1.00 0.00 N ATOM 681 CA MET A 49 -1.187 5.678 -4.797 1.00 0.00 C ATOM 682 C MET A 49 -1.692 7.086 -5.143 1.00 0.00 C ATOM 683 O MET A 49 -1.402 7.608 -6.221 1.00 0.00 O ATOM 684 CB MET A 49 0.192 5.694 -4.124 1.00 0.00 C ATOM 685 CG MET A 49 0.242 6.504 -2.823 1.00 0.00 C ATOM 686 SD MET A 49 0.543 8.283 -3.006 1.00 0.00 S ATOM 687 CE MET A 49 2.268 8.288 -3.540 1.00 0.00 C ATOM 0 H MET A 49 -0.171 4.620 -6.285 1.00 0.00 H new ATOM 0 HA MET A 49 -1.907 5.265 -4.090 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.494 4.668 -3.913 1.00 0.00 H new ATOM 0 HB3 MET A 49 0.921 6.103 -4.823 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.703 6.368 -2.297 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.024 6.087 -2.188 1.00 0.00 H new ATOM 0 HE1 MET A 49 2.766 9.177 -3.153 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.769 7.397 -3.161 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.312 8.293 -4.629 1.00 0.00 H new ATOM 697 N GLN A 50 -2.449 7.685 -4.215 1.00 0.00 N ATOM 698 CA GLN A 50 -3.074 8.996 -4.322 1.00 0.00 C ATOM 699 C GLN A 50 -2.700 9.872 -3.129 1.00 0.00 C ATOM 700 O GLN A 50 -3.012 9.536 -1.985 1.00 0.00 O ATOM 701 CB GLN A 50 -4.592 8.836 -4.289 1.00 0.00 C ATOM 702 CG GLN A 50 -5.130 8.100 -5.509 1.00 0.00 C ATOM 703 CD GLN A 50 -6.636 7.940 -5.382 1.00 0.00 C ATOM 704 OE1 GLN A 50 -7.114 6.902 -4.941 1.00 0.00 O ATOM 705 NE2 GLN A 50 -7.403 8.960 -5.742 1.00 0.00 N ATOM 0 H GLN A 50 -2.649 7.237 -3.321 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.735 9.453 -5.251 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.877 8.294 -3.387 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.056 9.820 -4.229 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.888 8.653 -6.417 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.656 7.122 -5.595 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.979 9.813 -6.106 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.417 8.891 -5.655 1.00 0.00 H new ATOM 714 N ALA A 51 -2.108 11.034 -3.397 1.00 0.00 N ATOM 715 CA ALA A 51 -1.980 12.124 -2.430 1.00 0.00 C ATOM 716 C ALA A 51 -3.157 13.101 -2.544 1.00 0.00 C ATOM 717 O ALA A 51 -3.478 13.808 -1.592 1.00 0.00 O ATOM 718 CB ALA A 51 -0.631 12.817 -2.605 1.00 0.00 C ATOM 0 H ALA A 51 -1.697 11.249 -4.306 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.014 11.714 -1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.542 13.628 -1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.171 12.097 -2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.558 13.222 -3.615 1.00 0.00 H new ATOM 724 N ASP A 52 -3.830 13.086 -3.694 1.00 0.00 N ATOM 725 CA ASP A 52 -5.091 13.747 -3.999 1.00 0.00 C ATOM 726 C ASP A 52 -6.252 13.223 -3.145 1.00 0.00 C ATOM 727 O ASP A 52 -7.314 13.845 -3.107 1.00 0.00 O ATOM 728 CB ASP A 52 -5.393 13.510 -5.490 1.00 0.00 C ATOM 729 CG ASP A 52 -5.277 12.035 -5.869 1.00 0.00 C ATOM 730 OD1 ASP A 52 -4.122 11.553 -5.823 1.00 0.00 O ATOM 731 OD2 ASP A 52 -6.322 11.400 -6.130 1.00 0.00 O ATOM 0 H ASP A 52 -3.476 12.569 -4.499 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.994 14.809 -3.773 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.398 13.865 -5.717 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.703 14.096 -6.097 1.00 0.00 H new ATOM 736 N ALA A 53 -6.084 12.086 -2.464 1.00 0.00 N ATOM 737 CA ALA A 53 -7.160 11.479 -1.706 1.00 0.00 C ATOM 738 C ALA A 53 -7.443 12.285 -0.442 1.00 0.00 C ATOM 739 O ALA A 53 -6.818 12.074 0.595 1.00 0.00 O ATOM 740 CB ALA A 53 -6.802 10.039 -1.371 1.00 0.00 C ATOM 0 H ALA A 53 -5.204 11.571 -2.428 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.068 11.478 -2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.613 9.586 -0.801 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.649 9.478 -2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.887 10.020 -0.778 1.00 0.00 H new ATOM 746 N ALA A 54 -8.407 13.200 -0.533 1.00 0.00 N ATOM 747 CA ALA A 54 -8.909 13.960 0.602 1.00 0.00 C ATOM 748 C ALA A 54 -9.195 13.016 1.774 1.00 0.00 C ATOM 749 O ALA A 54 -9.943 12.053 1.626 1.00 0.00 O ATOM 750 CB ALA A 54 -10.169 14.728 0.203 1.00 0.00 C ATOM 0 H ALA A 54 -8.866 13.435 -1.413 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.154 14.681 0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.537 15.293 1.059 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.935 15.414 -0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.935 14.025 -0.124 1.00 0.00 H new ATOM 756 N GLY A 55 -8.560 13.277 2.921 1.00 0.00 N ATOM 757 CA GLY A 55 -8.551 12.375 4.066 1.00 0.00 C ATOM 758 C GLY A 55 -7.138 11.877 4.367 1.00 0.00 C ATOM 759 O GLY A 55 -6.842 11.556 5.515 1.00 0.00 O ATOM 0 H GLY A 55 -8.031 14.135 3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.952 12.889 4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.204 11.525 3.868 1.00 0.00 H new ATOM 763 N ALA A 56 -6.269 11.816 3.348 1.00 0.00 N ATOM 764 CA ALA A 56 -4.850 11.527 3.493 1.00 0.00 C ATOM 765 C ALA A 56 -4.255 12.330 4.657 1.00 0.00 C ATOM 766 O ALA A 56 -4.562 13.511 4.810 1.00 0.00 O ATOM 767 CB ALA A 56 -4.139 11.862 2.174 1.00 0.00 C ATOM 0 H ALA A 56 -6.548 11.971 2.379 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.710 10.470 3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.074 11.649 2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.559 11.257 1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.279 12.918 1.943 1.00 0.00 H new ATOM 773 N THR A 57 -3.411 11.689 5.470 1.00 0.00 N ATOM 774 CA THR A 57 -2.710 12.326 6.585 1.00 0.00 C ATOM 775 C THR A 57 -1.211 12.095 6.401 1.00 0.00 C ATOM 776 O THR A 57 -0.790 11.758 5.296 1.00 0.00 O ATOM 777 CB THR A 57 -3.265 11.889 7.958 1.00 0.00 C ATOM 778 OG1 THR A 57 -2.631 10.723 8.436 1.00 0.00 O ATOM 779 CG2 THR A 57 -4.773 11.638 7.953 1.00 0.00 C ATOM 0 H THR A 57 -3.193 10.698 5.369 1.00 0.00 H new ATOM 0 HA THR A 57 -2.886 13.402 6.577 1.00 0.00 H new ATOM 0 HB THR A 57 -3.054 12.731 8.617 1.00 0.00 H new ATOM 0 HG1 THR A 57 -3.008 10.479 9.307 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.095 11.334 8.949 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.293 12.552 7.667 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.008 10.848 7.240 1.00 0.00 H new ATOM 787 N ASP A 58 -0.386 12.286 7.431 1.00 0.00 N ATOM 788 CA ASP A 58 1.063 12.329 7.320 1.00 0.00 C ATOM 789 C ASP A 58 1.586 11.087 6.593 1.00 0.00 C ATOM 790 O ASP A 58 2.065 11.182 5.457 1.00 0.00 O ATOM 791 CB ASP A 58 1.685 12.476 8.717 1.00 0.00 C ATOM 792 CG ASP A 58 0.944 13.462 9.615 1.00 0.00 C ATOM 793 OD1 ASP A 58 -0.211 13.121 9.974 1.00 0.00 O ATOM 794 OD2 ASP A 58 1.519 14.530 9.904 1.00 0.00 O ATOM 0 H ASP A 58 -0.720 12.418 8.386 1.00 0.00 H new ATOM 0 HA ASP A 58 1.354 13.195 6.726 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.704 11.500 9.202 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.720 12.800 8.612 1.00 0.00 H new ATOM 799 N GLU A 59 1.428 9.911 7.206 1.00 0.00 N ATOM 800 CA GLU A 59 1.942 8.666 6.682 1.00 0.00 C ATOM 801 C GLU A 59 0.971 8.047 5.678 1.00 0.00 C ATOM 802 O GLU A 59 1.266 6.999 5.110 1.00 0.00 O ATOM 803 CB GLU A 59 2.139 7.669 7.829 1.00 0.00 C ATOM 804 CG GLU A 59 2.549 8.198 9.210 1.00 0.00 C ATOM 805 CD GLU A 59 1.312 8.453 10.055 1.00 0.00 C ATOM 806 OE1 GLU A 59 0.674 9.489 9.789 1.00 0.00 O ATOM 807 OE2 GLU A 59 0.909 7.571 10.843 1.00 0.00 O ATOM 0 H GLU A 59 0.931 9.807 8.091 1.00 0.00 H new ATOM 0 HA GLU A 59 2.888 8.879 6.184 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.206 7.118 7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.895 6.950 7.514 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.197 7.477 9.707 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.122 9.119 9.101 1.00 0.00 H new ATOM 814 N TRP A 60 -0.218 8.634 5.537 1.00 0.00 N ATOM 815 CA TRP A 60 -1.390 7.943 5.034 1.00 0.00 C ATOM 816 C TRP A 60 -1.901 8.596 3.766 1.00 0.00 C ATOM 817 O TRP A 60 -2.147 9.800 3.752 1.00 0.00 O ATOM 818 CB TRP A 60 -2.453 7.953 6.119 1.00 0.00 C ATOM 819 CG TRP A 60 -2.050 7.194 7.332 1.00 0.00 C ATOM 820 CD1 TRP A 60 -1.418 7.731 8.389 1.00 0.00 C ATOM 821 CD2 TRP A 60 -2.187 5.773 7.620 1.00 0.00 C ATOM 822 NE1 TRP A 60 -1.120 6.747 9.301 1.00 0.00 N ATOM 823 CE2 TRP A 60 -1.620 5.527 8.904 1.00 0.00 C ATOM 824 CE3 TRP A 60 -2.745 4.669 6.941 1.00 0.00 C ATOM 825 CZ2 TRP A 60 -1.651 4.267 9.507 1.00 0.00 C ATOM 826 CZ3 TRP A 60 -2.760 3.390 7.529 1.00 0.00 C ATOM 827 CH2 TRP A 60 -2.253 3.198 8.828 1.00 0.00 C ATOM 0 H TRP A 60 -0.389 9.612 5.773 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.132 6.914 4.782 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -2.671 8.984 6.398 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -3.375 7.529 5.721 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -1.180 8.778 8.505 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.595 6.901 10.162 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.167 4.807 5.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.216 4.118 10.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -3.163 2.551 6.980 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.327 2.230 9.301 1.00 0.00 H new ATOM 838 N LYS A 61 -2.021 7.802 2.704 1.00 0.00 N ATOM 839 CA LYS A 61 -2.462 8.248 1.390 1.00 0.00 C ATOM 840 C LYS A 61 -3.625 7.365 0.928 1.00 0.00 C ATOM 841 O LYS A 61 -3.975 6.394 1.595 1.00 0.00 O ATOM 842 CB LYS A 61 -1.267 8.229 0.412 1.00 0.00 C ATOM 843 CG LYS A 61 -0.598 9.607 0.276 1.00 0.00 C ATOM 844 CD LYS A 61 0.302 9.991 1.461 1.00 0.00 C ATOM 845 CE LYS A 61 0.181 11.475 1.833 1.00 0.00 C ATOM 846 NZ LYS A 61 0.705 11.760 3.184 1.00 0.00 N ATOM 0 H LYS A 61 -1.808 6.805 2.738 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.826 9.275 1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.531 7.503 0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.608 7.896 -0.568 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.003 9.621 -0.637 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.373 10.365 0.163 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.040 9.380 2.325 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.339 9.765 1.214 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.722 12.076 1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.865 11.776 1.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.268 12.634 3.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.088 11.877 3.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.305 10.970 3.498 1.00 0.00 H new ATOM 860 N GLY A 62 -4.244 7.708 -0.201 1.00 0.00 N ATOM 861 CA GLY A 62 -5.255 6.863 -0.820 1.00 0.00 C ATOM 862 C GLY A 62 -4.592 5.906 -1.801 1.00 0.00 C ATOM 863 O GLY A 62 -3.435 6.104 -2.168 1.00 0.00 O ATOM 0 H GLY A 62 -4.058 8.574 -0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.792 6.301 -0.055 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.990 7.479 -1.338 1.00 0.00 H new ATOM 867 N CYS A 63 -5.330 4.881 -2.228 1.00 0.00 N ATOM 868 CA CYS A 63 -4.918 3.945 -3.257 1.00 0.00 C ATOM 869 C CYS A 63 -6.142 3.732 -4.153 1.00 0.00 C ATOM 870 O CYS A 63 -7.234 3.475 -3.643 1.00 0.00 O ATOM 871 CB CYS A 63 -4.389 2.686 -2.610 1.00 0.00 C ATOM 872 SG CYS A 63 -4.123 1.421 -3.868 1.00 0.00 S ATOM 0 H CYS A 63 -6.257 4.679 -1.852 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.098 4.311 -3.875 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.455 2.898 -2.090 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -5.095 2.326 -1.862 1.00 0.00 H new ATOM 0 HG CYS A 63 -3.666 0.341 -3.307 1.00 0.00 H new ATOM 877 N GLN A 64 -5.992 3.923 -5.469 1.00 0.00 N ATOM 878 CA GLN A 64 -7.102 4.012 -6.420 1.00 0.00 C ATOM 879 C GLN A 64 -8.062 2.831 -6.281 1.00 0.00 C ATOM 880 O GLN A 64 -9.273 3.017 -6.192 1.00 0.00 O ATOM 881 CB GLN A 64 -6.560 4.109 -7.851 1.00 0.00 C ATOM 882 CG GLN A 64 -5.908 5.476 -8.109 1.00 0.00 C ATOM 883 CD GLN A 64 -5.012 5.479 -9.343 1.00 0.00 C ATOM 884 OE1 GLN A 64 -5.081 4.586 -10.181 1.00 0.00 O ATOM 885 NE2 GLN A 64 -4.143 6.477 -9.462 1.00 0.00 N ATOM 0 H GLN A 64 -5.077 4.022 -5.909 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.669 4.915 -6.194 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.830 3.318 -8.020 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -7.372 3.951 -8.561 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.687 6.228 -8.230 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.320 5.763 -7.238 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.105 7.208 -8.751 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.514 6.512 -10.264 1.00 0.00 H new ATOM 894 N LEU A 65 -7.523 1.610 -6.237 1.00 0.00 N ATOM 895 CA LEU A 65 -8.325 0.398 -6.099 1.00 0.00 C ATOM 896 C LEU A 65 -8.637 0.070 -4.631 1.00 0.00 C ATOM 897 O LEU A 65 -8.951 -1.075 -4.313 1.00 0.00 O ATOM 898 CB LEU A 65 -7.639 -0.766 -6.831 1.00 0.00 C ATOM 899 CG LEU A 65 -6.232 -1.084 -6.289 1.00 0.00 C ATOM 900 CD1 LEU A 65 -6.132 -2.554 -5.867 1.00 0.00 C ATOM 901 CD2 LEU A 65 -5.169 -0.792 -7.354 1.00 0.00 C ATOM 0 H LEU A 65 -6.520 1.437 -6.296 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.293 0.570 -6.569 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.262 -1.656 -6.747 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.566 -0.526 -7.892 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.058 -0.450 -5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.130 -2.756 -5.488 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.864 -2.759 -5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.330 -3.194 -6.727 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.181 -1.022 -6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.357 -1.407 -8.234 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.212 0.261 -7.632 1.00 0.00 H new ATOM 913 N PHE A 66 -8.569 1.062 -3.737 1.00 0.00 N ATOM 914 CA PHE A 66 -8.753 0.906 -2.300 1.00 0.00 C ATOM 915 C PHE A 66 -9.667 2.034 -1.797 1.00 0.00 C ATOM 916 O PHE A 66 -9.253 2.881 -1.008 1.00 0.00 O ATOM 917 CB PHE A 66 -7.354 0.916 -1.646 1.00 0.00 C ATOM 918 CG PHE A 66 -7.022 -0.240 -0.728 1.00 0.00 C ATOM 919 CD1 PHE A 66 -7.934 -0.672 0.252 1.00 0.00 C ATOM 920 CD2 PHE A 66 -5.737 -0.810 -0.785 1.00 0.00 C ATOM 921 CE1 PHE A 66 -7.591 -1.739 1.098 1.00 0.00 C ATOM 922 CE2 PHE A 66 -5.382 -1.848 0.090 1.00 0.00 C ATOM 923 CZ PHE A 66 -6.337 -2.361 0.982 1.00 0.00 C ATOM 0 H PHE A 66 -8.378 2.026 -4.009 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.238 -0.034 -2.039 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -6.608 0.944 -2.440 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.251 1.841 -1.079 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.893 -0.186 0.353 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.020 -0.447 -1.506 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.295 -2.083 1.841 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.380 -2.250 0.077 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.108 -3.232 1.578 1.00 0.00 H new ATOM 933 N PRO A 67 -10.924 2.082 -2.266 1.00 0.00 N ATOM 934 CA PRO A 67 -11.774 3.244 -2.083 1.00 0.00 C ATOM 935 C PRO A 67 -12.178 3.425 -0.622 1.00 0.00 C ATOM 936 O PRO A 67 -12.332 2.458 0.123 1.00 0.00 O ATOM 937 CB PRO A 67 -12.987 3.017 -2.985 1.00 0.00 C ATOM 938 CG PRO A 67 -13.058 1.494 -3.113 1.00 0.00 C ATOM 939 CD PRO A 67 -11.593 1.063 -3.056 1.00 0.00 C ATOM 0 HA PRO A 67 -11.251 4.163 -2.349 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.897 3.425 -2.545 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.860 3.496 -3.956 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.639 1.050 -2.305 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.529 1.191 -4.048 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.490 0.079 -2.598 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.164 0.995 -4.056 1.00 0.00 H new ATOM 947 N GLY A 68 -12.328 4.685 -0.205 1.00 0.00 N ATOM 948 CA GLY A 68 -12.773 5.077 1.127 1.00 0.00 C ATOM 949 C GLY A 68 -11.652 4.972 2.161 1.00 0.00 C ATOM 950 O GLY A 68 -11.465 5.865 2.987 1.00 0.00 O ATOM 0 H GLY A 68 -12.135 5.484 -0.809 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.144 6.101 1.098 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.607 4.444 1.431 1.00 0.00 H new ATOM 954 N LYS A 69 -10.925 3.858 2.130 1.00 0.00 N ATOM 955 CA LYS A 69 -9.847 3.583 3.064 1.00 0.00 C ATOM 956 C LYS A 69 -8.590 4.365 2.640 1.00 0.00 C ATOM 957 O LYS A 69 -8.531 4.890 1.529 1.00 0.00 O ATOM 958 CB LYS A 69 -9.570 2.072 3.127 1.00 0.00 C ATOM 959 CG LYS A 69 -10.818 1.199 2.911 1.00 0.00 C ATOM 960 CD LYS A 69 -10.594 -0.228 3.428 1.00 0.00 C ATOM 961 CE LYS A 69 -11.715 -1.181 2.980 1.00 0.00 C ATOM 962 NZ LYS A 69 -11.378 -2.586 3.289 1.00 0.00 N ATOM 0 H LYS A 69 -11.073 3.115 1.447 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.137 3.908 4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.826 1.817 2.372 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.135 1.833 4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.670 1.645 3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.065 1.169 1.850 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.635 -0.599 3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.541 -0.216 4.517 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.646 -0.910 3.477 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.882 -1.072 1.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.662 -3.194 2.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.353 -2.672 3.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.881 -2.883 4.149 1.00 0.00 H new ATOM 976 N LEU A 70 -7.576 4.431 3.507 1.00 0.00 N ATOM 977 CA LEU A 70 -6.286 5.058 3.237 1.00 0.00 C ATOM 978 C LEU A 70 -5.186 4.056 3.582 1.00 0.00 C ATOM 979 O LEU A 70 -5.228 3.448 4.653 1.00 0.00 O ATOM 980 CB LEU A 70 -6.128 6.321 4.094 1.00 0.00 C ATOM 981 CG LEU A 70 -7.133 7.429 3.745 1.00 0.00 C ATOM 982 CD1 LEU A 70 -7.162 8.449 4.884 1.00 0.00 C ATOM 983 CD2 LEU A 70 -6.786 8.145 2.436 1.00 0.00 C ATOM 0 H LEU A 70 -7.636 4.036 4.445 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.220 5.342 2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.244 6.054 5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.116 6.708 3.973 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.109 6.961 3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.873 9.240 4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.465 7.955 5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.169 8.880 5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.528 8.918 2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.800 8.602 2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.783 7.425 1.617 1.00 0.00 H new ATOM 995 N ILE A 71 -4.211 3.877 2.688 1.00 0.00 N ATOM 996 CA ILE A 71 -3.069 2.998 2.909 1.00 0.00 C ATOM 997 C ILE A 71 -1.932 3.817 3.506 1.00 0.00 C ATOM 998 O ILE A 71 -1.903 5.040 3.366 1.00 0.00 O ATOM 999 CB ILE A 71 -2.653 2.247 1.625 1.00 0.00 C ATOM 1000 CG1 ILE A 71 -1.719 2.981 0.646 1.00 0.00 C ATOM 1001 CG2 ILE A 71 -3.869 1.671 0.892 1.00 0.00 C ATOM 1002 CD1 ILE A 71 -2.197 4.337 0.142 1.00 0.00 C ATOM 0 H ILE A 71 -4.195 4.345 1.782 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.347 2.216 3.615 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.028 1.443 2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.753 3.118 1.133 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.552 2.335 -0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.539 1.150 -0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.391 0.972 1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.544 2.481 0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.455 4.754 -0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.145 4.217 -0.383 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.333 5.012 0.987 1.00 0.00 H new ATOM 1014 N ASN A 72 -0.991 3.162 4.184 1.00 0.00 N ATOM 1015 CA ASN A 72 0.198 3.846 4.654 1.00 0.00 C ATOM 1016 C ASN A 72 1.214 3.845 3.515 1.00 0.00 C ATOM 1017 O ASN A 72 1.420 2.801 2.904 1.00 0.00 O ATOM 1018 CB ASN A 72 0.741 3.118 5.886 1.00 0.00 C ATOM 1019 CG ASN A 72 1.794 3.960 6.595 1.00 0.00 C ATOM 1020 OD1 ASN A 72 2.831 4.294 6.022 1.00 0.00 O ATOM 1021 ND2 ASN A 72 1.532 4.316 7.849 1.00 0.00 N ATOM 0 H ASN A 72 -1.033 2.169 4.415 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.019 4.875 4.942 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -0.076 2.897 6.572 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.174 2.163 5.588 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.201 4.884 8.368 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.662 4.021 8.292 1.00 0.00 H new ATOM 1028 N VAL A 73 1.860 4.978 3.228 1.00 0.00 N ATOM 1029 CA VAL A 73 2.868 5.091 2.167 1.00 0.00 C ATOM 1030 C VAL A 73 3.931 4.005 2.288 1.00 0.00 C ATOM 1031 O VAL A 73 4.445 3.483 1.301 1.00 0.00 O ATOM 1032 CB VAL A 73 3.546 6.471 2.202 1.00 0.00 C ATOM 1033 CG1 VAL A 73 2.506 7.558 1.998 1.00 0.00 C ATOM 1034 CG2 VAL A 73 4.346 6.763 3.482 1.00 0.00 C ATOM 0 H VAL A 73 1.698 5.851 3.729 1.00 0.00 H new ATOM 0 HA VAL A 73 2.348 4.967 1.217 1.00 0.00 H new ATOM 0 HB VAL A 73 4.274 6.461 1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.990 8.534 2.023 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.019 7.419 1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.761 7.502 2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.788 7.757 3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.681 6.717 4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.137 6.021 3.594 1.00 0.00 H new ATOM 1044 N ASN A 74 4.282 3.695 3.528 1.00 0.00 N ATOM 1045 CA ASN A 74 5.316 2.718 3.842 1.00 0.00 C ATOM 1046 C ASN A 74 4.854 1.283 3.595 1.00 0.00 C ATOM 1047 O ASN A 74 5.660 0.365 3.738 1.00 0.00 O ATOM 1048 CB ASN A 74 5.683 2.855 5.322 1.00 0.00 C ATOM 1049 CG ASN A 74 6.300 4.203 5.651 1.00 0.00 C ATOM 1050 OD1 ASN A 74 7.454 4.474 5.339 1.00 0.00 O ATOM 1051 ND2 ASN A 74 5.513 5.050 6.294 1.00 0.00 N ATOM 0 H ASN A 74 3.854 4.118 4.352 1.00 0.00 H new ATOM 0 HA ASN A 74 6.168 2.916 3.192 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.789 2.712 5.929 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.382 2.064 5.593 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.860 5.974 6.551 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.559 4.779 6.532 1.00 0.00 H new ATOM 1058 N GLY A 75 3.578 1.069 3.269 1.00 0.00 N ATOM 1059 CA GLY A 75 3.012 -0.248 3.059 1.00 0.00 C ATOM 1060 C GLY A 75 3.298 -0.753 1.655 1.00 0.00 C ATOM 1061 O GLY A 75 4.060 -0.139 0.917 1.00 0.00 O ATOM 0 H GLY A 75 2.904 1.825 3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.424 -0.944 3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.935 -0.214 3.223 1.00 0.00 H new ATOM 1065 N TRP A 76 2.715 -1.894 1.296 1.00 0.00 N ATOM 1066 CA TRP A 76 2.840 -2.524 -0.013 1.00 0.00 C ATOM 1067 C TRP A 76 1.621 -3.425 -0.168 1.00 0.00 C ATOM 1068 O TRP A 76 1.095 -3.841 0.863 1.00 0.00 O ATOM 1069 CB TRP A 76 4.132 -3.354 -0.046 1.00 0.00 C ATOM 1070 CG TRP A 76 4.397 -4.166 -1.280 1.00 0.00 C ATOM 1071 CD1 TRP A 76 5.260 -3.828 -2.261 1.00 0.00 C ATOM 1072 CD2 TRP A 76 3.914 -5.501 -1.628 1.00 0.00 C ATOM 1073 NE1 TRP A 76 5.353 -4.846 -3.188 1.00 0.00 N ATOM 1074 CE2 TRP A 76 4.528 -5.899 -2.853 1.00 0.00 C ATOM 1075 CE3 TRP A 76 3.075 -6.446 -0.998 1.00 0.00 C ATOM 1076 CZ2 TRP A 76 4.306 -7.159 -3.429 1.00 0.00 C ATOM 1077 CZ3 TRP A 76 2.890 -7.732 -1.537 1.00 0.00 C ATOM 1078 CH2 TRP A 76 3.500 -8.087 -2.752 1.00 0.00 C ATOM 0 H TRP A 76 2.121 -2.424 1.934 1.00 0.00 H new ATOM 0 HA TRP A 76 2.887 -1.794 -0.821 1.00 0.00 H new ATOM 0 HB2 TRP A 76 4.973 -2.675 0.098 1.00 0.00 H new ATOM 0 HB3 TRP A 76 4.119 -4.032 0.808 1.00 0.00 H new ATOM 0 HD1 TRP A 76 5.800 -2.894 -2.313 1.00 0.00 H new ATOM 0 HE1 TRP A 76 5.953 -4.823 -4.013 1.00 0.00 H new ATOM 0 HE3 TRP A 76 2.566 -6.176 -0.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 4.750 -7.411 -4.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 2.276 -8.450 -1.014 1.00 0.00 H new ATOM 0 HH2 TRP A 76 3.349 -9.074 -3.165 1.00 0.00 H new ATOM 1089 N CYS A 77 1.212 -3.732 -1.406 1.00 0.00 N ATOM 1090 CA CYS A 77 0.287 -4.811 -1.752 1.00 0.00 C ATOM 1091 C CYS A 77 0.758 -5.481 -3.049 1.00 0.00 C ATOM 1092 O CYS A 77 1.629 -4.951 -3.740 1.00 0.00 O ATOM 1093 CB CYS A 77 -1.142 -4.328 -1.862 1.00 0.00 C ATOM 1094 SG CYS A 77 -1.478 -3.593 -3.479 1.00 0.00 S ATOM 0 H CYS A 77 1.531 -3.213 -2.224 1.00 0.00 H new ATOM 0 HA CYS A 77 0.293 -5.545 -0.946 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.822 -5.163 -1.694 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.339 -3.594 -1.081 1.00 0.00 H new ATOM 0 HG CYS A 77 -2.715 -3.196 -3.527 1.00 0.00 H new ATOM 1099 N ALA A 78 0.187 -6.644 -3.383 1.00 0.00 N ATOM 1100 CA ALA A 78 0.535 -7.412 -4.576 1.00 0.00 C ATOM 1101 C ALA A 78 0.508 -6.542 -5.834 1.00 0.00 C ATOM 1102 O ALA A 78 1.398 -6.616 -6.688 1.00 0.00 O ATOM 1103 CB ALA A 78 -0.423 -8.599 -4.710 1.00 0.00 C ATOM 0 H ALA A 78 -0.542 -7.082 -2.820 1.00 0.00 H new ATOM 0 HA ALA A 78 1.555 -7.781 -4.468 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.167 -9.175 -5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.339 -9.235 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.446 -8.233 -4.797 1.00 0.00 H new ATOM 1109 N SER A 79 -0.518 -5.699 -5.942 1.00 0.00 N ATOM 1110 CA SER A 79 -0.727 -4.814 -7.069 1.00 0.00 C ATOM 1111 C SER A 79 0.373 -3.758 -7.222 1.00 0.00 C ATOM 1112 O SER A 79 0.366 -3.066 -8.240 1.00 0.00 O ATOM 1113 CB SER A 79 -2.105 -4.158 -6.942 1.00 0.00 C ATOM 1114 OG SER A 79 -3.051 -5.130 -6.532 1.00 0.00 O ATOM 0 H SER A 79 -1.240 -5.616 -5.227 1.00 0.00 H new ATOM 0 HA SER A 79 -0.682 -5.417 -7.976 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.067 -3.343 -6.219 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.403 -3.724 -7.896 1.00 0.00 H new ATOM 0 HG SER A 79 -3.934 -4.712 -6.448 1.00 0.00 H new ATOM 1120 N TRP A 80 1.308 -3.623 -6.263 1.00 0.00 N ATOM 1121 CA TRP A 80 2.400 -2.659 -6.351 1.00 0.00 C ATOM 1122 C TRP A 80 2.992 -2.629 -7.758 1.00 0.00 C ATOM 1123 O TRP A 80 3.304 -3.677 -8.323 1.00 0.00 O ATOM 1124 CB TRP A 80 3.510 -2.923 -5.324 1.00 0.00 C ATOM 1125 CG TRP A 80 4.568 -1.860 -5.347 1.00 0.00 C ATOM 1126 CD1 TRP A 80 4.564 -0.750 -4.580 1.00 0.00 C ATOM 1127 CD2 TRP A 80 5.691 -1.701 -6.267 1.00 0.00 C ATOM 1128 NE1 TRP A 80 5.558 0.112 -4.998 1.00 0.00 N ATOM 1129 CE2 TRP A 80 6.287 -0.422 -6.045 1.00 0.00 C ATOM 1130 CE3 TRP A 80 6.252 -2.504 -7.283 1.00 0.00 C ATOM 1131 CZ2 TRP A 80 7.370 0.039 -6.814 1.00 0.00 C ATOM 1132 CZ3 TRP A 80 7.356 -2.063 -8.034 1.00 0.00 C ATOM 1133 CH2 TRP A 80 7.913 -0.797 -7.802 1.00 0.00 C ATOM 0 H TRP A 80 1.320 -4.182 -5.410 1.00 0.00 H new ATOM 0 HA TRP A 80 1.966 -1.686 -6.121 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.074 -2.978 -4.326 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.967 -3.892 -5.526 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.885 -0.564 -3.761 1.00 0.00 H new ATOM 0 HE1 TRP A 80 5.733 1.029 -4.586 1.00 0.00 H new ATOM 0 HE3 TRP A 80 5.826 -3.475 -7.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 7.779 1.024 -6.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.778 -2.703 -8.794 1.00 0.00 H new ATOM 0 HH2 TRP A 80 8.760 -0.465 -8.384 1.00 0.00 H new ATOM 1144 N THR A 81 3.087 -1.435 -8.335 1.00 0.00 N ATOM 1145 CA THR A 81 3.498 -1.175 -9.704 1.00 0.00 C ATOM 1146 C THR A 81 4.284 0.126 -9.628 1.00 0.00 C ATOM 1147 O THR A 81 3.817 1.044 -8.971 1.00 0.00 O ATOM 1148 CB THR A 81 2.221 -1.043 -10.554 1.00 0.00 C ATOM 1149 OG1 THR A 81 1.581 -2.305 -10.619 1.00 0.00 O ATOM 1150 CG2 THR A 81 2.462 -0.529 -11.975 1.00 0.00 C ATOM 0 H THR A 81 2.866 -0.578 -7.829 1.00 0.00 H new ATOM 0 HA THR A 81 4.109 -1.956 -10.156 1.00 0.00 H new ATOM 0 HB THR A 81 1.598 -0.296 -10.062 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.177 -2.512 -9.751 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.512 -0.466 -12.505 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.920 0.459 -11.932 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.126 -1.214 -12.502 1.00 0.00 H new ATOM 1158 N LEU A 82 5.472 0.217 -10.225 1.00 0.00 N ATOM 1159 CA LEU A 82 6.325 1.390 -10.070 1.00 0.00 C ATOM 1160 C LEU A 82 5.581 2.654 -10.519 1.00 0.00 C ATOM 1161 O LEU A 82 5.085 2.704 -11.644 1.00 0.00 O ATOM 1162 CB LEU A 82 7.603 1.166 -10.885 1.00 0.00 C ATOM 1163 CG LEU A 82 8.826 1.982 -10.428 1.00 0.00 C ATOM 1164 CD1 LEU A 82 9.930 1.777 -11.470 1.00 0.00 C ATOM 1165 CD2 LEU A 82 8.584 3.488 -10.295 1.00 0.00 C ATOM 0 H LEU A 82 5.865 -0.511 -10.822 1.00 0.00 H new ATOM 0 HA LEU A 82 6.590 1.532 -9.022 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.858 0.107 -10.846 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.396 1.406 -11.928 1.00 0.00 H new ATOM 0 HG LEU A 82 9.085 1.624 -9.432 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.815 2.342 -11.178 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.180 0.718 -11.532 1.00 0.00 H new ATOM 0 HD13 LEU A 82 9.582 2.125 -12.442 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.502 3.977 -9.969 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.280 3.894 -11.260 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.797 3.667 -9.562 1.00 0.00 H new ATOM 1177 N LYS A 83 5.486 3.664 -9.648 1.00 0.00 N ATOM 1178 CA LYS A 83 4.836 4.918 -9.985 1.00 0.00 C ATOM 1179 C LYS A 83 5.529 5.637 -11.147 1.00 0.00 C ATOM 1180 O LYS A 83 6.648 6.126 -11.011 1.00 0.00 O ATOM 1181 CB LYS A 83 4.690 5.808 -8.736 1.00 0.00 C ATOM 1182 CG LYS A 83 3.764 7.000 -9.021 1.00 0.00 C ATOM 1183 CD LYS A 83 2.993 7.471 -7.771 1.00 0.00 C ATOM 1184 CE LYS A 83 1.828 8.428 -8.088 1.00 0.00 C ATOM 1185 NZ LYS A 83 0.904 7.905 -9.119 1.00 0.00 N ATOM 0 H LYS A 83 5.857 3.628 -8.699 1.00 0.00 H new ATOM 0 HA LYS A 83 3.831 4.689 -10.340 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.290 5.220 -7.910 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.670 6.169 -8.425 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.355 7.828 -9.411 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.052 6.723 -9.798 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.603 6.599 -7.245 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.686 7.968 -7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.268 8.623 -7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.233 9.383 -8.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.023 8.457 -9.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.349 7.983 -10.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.690 6.907 -8.919 1.00 0.00 H new