USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1084 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 132 TYR OH : rot -117:sc= 0.0119 USER MOD Set 1.2: A 137 GLN : amide:sc= -0.701 K(o=-0.69,f=-1.5) USER MOD Set 2.1: A 124 GLN : amide:sc= -3.39 K(o=-3.4,f=-2.4!) USER MOD Set 2.2: A 128 TYR OH : rot 180:sc= 0.00564 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= -0.253 (180deg=-0.26) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot -14:sc= -1.71 USER MOD Single : A 11 SER OG : rot -150:sc= 0.0816 USER MOD Single : A 15 LYS NZ :NH3+ -137:sc= 0.0526 (180deg=0) USER MOD Single : A 20 SER OG : rot 87:sc= -1.81 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -87:sc= 0.479 USER MOD Single : A 27 GLN : amide:sc= -0.122 K(o=-0.12,f=-2!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.129 USER MOD Single : A 38 GLN : amide:sc= -0.565 X(o=-0.56,f=-0.36) USER MOD Single : A 40 MET CE :methyl 168:sc= -3.19 (180deg=-4.54!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0779 USER MOD Single : A 46 THR OG1 : rot 90:sc= 0.0704 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 91:sc= -8.68! USER MOD Single : A 57 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.23) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.35 X(o=-0.35,f=-0.11) USER MOD Single : A 64 TYR OH : rot 39:sc= 0.928 USER MOD Single : A 67 HIS : no HD1:sc= -8.75! C(o=-8.8!,f=-16!) USER MOD Single : A 69 TYR OH : rot -103:sc= 0.655 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= -2.34 USER MOD Single : A 81 THR OG1 : rot 149:sc= -2.06! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.0551 X(o=-0.055,f=-0.0033) USER MOD Single : A 85 TYR OH : rot 76:sc= -2.17! USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.334 K(o=-0.33,f=-2.7!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot -120:sc= -7.51! USER MOD Single : A 105 HIS : no HD1:sc= -6.34! C(o=-6.3!,f=-5.5!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 76:sc= -2.81 USER MOD Single : A 117 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.8) USER MOD Single : A 121 LYS NZ :NH3+ 160:sc= 0.0171 (180deg=0) USER MOD Single : A 122 MET CE :methyl -122:sc= -11.6! (180deg=-20!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 THR OG1 : rot 90:sc= 1.26 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ -135:sc= -0.386 (180deg=-1.58) USER MOD Single : A 133 GLN : amide:sc= -0.0597 X(o=-0.06,f=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.838 10.666 1.672 1.00 0.00 N ATOM 2 CA MET A 1 -11.768 11.688 1.812 1.00 0.00 C ATOM 3 C MET A 1 -10.669 11.209 2.755 1.00 0.00 C ATOM 4 O MET A 1 -10.132 11.988 3.544 1.00 0.00 O ATOM 5 CB MET A 1 -12.394 12.980 2.343 1.00 0.00 C ATOM 6 CG MET A 1 -13.202 13.738 1.303 1.00 0.00 C ATOM 7 SD MET A 1 -14.467 14.791 2.039 1.00 0.00 S ATOM 8 CE MET A 1 -13.569 16.331 2.210 1.00 0.00 C ATOM 0 H1 MET A 1 -13.589 11.032 1.052 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.439 9.800 1.258 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.237 10.450 2.608 1.00 0.00 H new ATOM 0 HA MET A 1 -11.311 11.864 0.838 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.039 12.740 3.188 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.603 13.629 2.720 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.530 14.350 0.702 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.676 13.026 0.627 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.220 17.085 2.653 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.702 16.177 2.853 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.237 16.670 1.228 1.00 0.00 H new ATOM 20 N ARG A 2 -10.339 9.925 2.668 1.00 0.00 N ATOM 21 CA ARG A 2 -9.306 9.341 3.512 1.00 0.00 C ATOM 22 C ARG A 2 -8.705 8.099 2.862 1.00 0.00 C ATOM 23 O ARG A 2 -9.101 7.704 1.765 1.00 0.00 O ATOM 24 CB ARG A 2 -9.880 8.982 4.884 1.00 0.00 C ATOM 25 CG ARG A 2 -10.086 10.184 5.791 1.00 0.00 C ATOM 26 CD ARG A 2 -11.538 10.634 5.801 1.00 0.00 C ATOM 27 NE ARG A 2 -11.965 11.079 7.125 1.00 0.00 N ATOM 28 CZ ARG A 2 -12.053 10.278 8.184 1.00 0.00 C ATOM 29 NH1 ARG A 2 -11.744 8.991 8.080 1.00 0.00 N ATOM 30 NH2 ARG A 2 -12.452 10.764 9.351 1.00 0.00 N ATOM 0 H ARG A 2 -10.774 9.268 2.020 1.00 0.00 H new ATOM 0 HA ARG A 2 -8.516 10.082 3.637 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -10.834 8.473 4.747 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -9.210 8.277 5.376 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -9.775 9.933 6.805 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -9.452 11.005 5.457 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.671 11.446 5.086 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -12.174 9.812 5.472 1.00 0.00 H new ATOM 0 HE ARG A 2 -12.210 12.062 7.245 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.437 8.611 7.185 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.814 8.382 8.896 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -12.692 11.752 9.437 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.520 10.150 10.163 1.00 0.00 H new ATOM 44 N ILE A 3 -7.747 7.489 3.549 1.00 0.00 N ATOM 45 CA ILE A 3 -7.081 6.289 3.053 1.00 0.00 C ATOM 46 C ILE A 3 -7.931 5.052 3.314 1.00 0.00 C ATOM 47 O ILE A 3 -8.751 5.036 4.232 1.00 0.00 O ATOM 48 CB ILE A 3 -5.702 6.130 3.717 1.00 0.00 C ATOM 49 CG1 ILE A 3 -4.900 4.993 3.099 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.862 5.900 5.211 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.418 5.287 3.086 1.00 0.00 C ATOM 0 H ILE A 3 -7.411 7.808 4.458 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.946 6.395 1.977 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.150 7.054 3.548 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.083 4.075 3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.244 4.819 2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.879 5.789 5.669 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.376 6.751 5.657 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.445 4.995 5.379 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.885 4.449 2.637 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.231 6.190 2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.067 5.434 4.107 1.00 0.00 H new ATOM 63 N TYR A 4 -7.747 4.019 2.497 1.00 0.00 N ATOM 64 CA TYR A 4 -8.522 2.794 2.649 1.00 0.00 C ATOM 65 C TYR A 4 -7.635 1.555 2.696 1.00 0.00 C ATOM 66 O TYR A 4 -7.912 0.622 3.447 1.00 0.00 O ATOM 67 CB TYR A 4 -9.536 2.664 1.512 1.00 0.00 C ATOM 68 CG TYR A 4 -10.581 3.758 1.504 1.00 0.00 C ATOM 69 CD1 TYR A 4 -11.060 4.303 2.690 1.00 0.00 C ATOM 70 CD2 TYR A 4 -11.088 4.246 0.307 1.00 0.00 C ATOM 71 CE1 TYR A 4 -12.013 5.303 2.682 1.00 0.00 C ATOM 72 CE2 TYR A 4 -12.042 5.247 0.291 1.00 0.00 C ATOM 73 CZ TYR A 4 -12.500 5.771 1.480 1.00 0.00 C ATOM 74 OH TYR A 4 -13.449 6.768 1.469 1.00 0.00 O ATOM 0 H TYR A 4 -7.074 4.006 1.730 1.00 0.00 H new ATOM 0 HA TYR A 4 -9.047 2.861 3.602 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -9.005 2.673 0.560 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -10.034 1.698 1.590 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -10.681 3.938 3.633 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -10.731 3.837 -0.627 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -12.375 5.716 3.612 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -12.426 5.616 -0.649 1.00 0.00 H new ATOM 0 HH TYR A 4 -13.685 6.984 0.543 1.00 0.00 H new ATOM 84 N TYR A 5 -6.575 1.532 1.893 1.00 0.00 N ATOM 85 CA TYR A 5 -5.686 0.375 1.877 1.00 0.00 C ATOM 86 C TYR A 5 -4.235 0.763 1.630 1.00 0.00 C ATOM 87 O TYR A 5 -3.937 1.779 1.003 1.00 0.00 O ATOM 88 CB TYR A 5 -6.137 -0.638 0.821 1.00 0.00 C ATOM 89 CG TYR A 5 -5.254 -1.873 0.725 1.00 0.00 C ATOM 90 CD1 TYR A 5 -3.978 -1.807 0.169 1.00 0.00 C ATOM 91 CD2 TYR A 5 -5.699 -3.104 1.186 1.00 0.00 C ATOM 92 CE1 TYR A 5 -3.177 -2.929 0.078 1.00 0.00 C ATOM 93 CE2 TYR A 5 -4.903 -4.231 1.097 1.00 0.00 C ATOM 94 CZ TYR A 5 -3.645 -4.137 0.542 1.00 0.00 C ATOM 95 OH TYR A 5 -2.853 -5.258 0.450 1.00 0.00 O ATOM 0 H TYR A 5 -6.314 2.285 1.257 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.744 -0.079 2.866 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.157 -0.951 1.046 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.161 -0.146 -0.151 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.608 -0.861 -0.198 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.684 -3.183 1.622 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.190 -2.858 -0.355 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -5.266 -5.181 1.461 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.104 -5.081 -0.157 1.00 0.00 H new ATOM 105 N ILE A 6 -3.346 -0.088 2.121 1.00 0.00 N ATOM 106 CA ILE A 6 -1.915 0.093 1.971 1.00 0.00 C ATOM 107 C ILE A 6 -1.238 -1.265 2.082 1.00 0.00 C ATOM 108 O ILE A 6 -1.857 -2.238 2.513 1.00 0.00 O ATOM 109 CB ILE A 6 -1.364 1.071 3.041 1.00 0.00 C ATOM 110 CG1 ILE A 6 -1.453 2.510 2.528 1.00 0.00 C ATOM 111 CG2 ILE A 6 0.063 0.745 3.456 1.00 0.00 C ATOM 112 CD1 ILE A 6 -0.845 3.537 3.464 1.00 0.00 C ATOM 0 H ILE A 6 -3.602 -0.929 2.638 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.705 0.529 0.994 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.984 0.958 3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.952 2.572 1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.500 2.761 2.361 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.396 1.462 4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.100 -0.261 3.874 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.717 0.800 2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.948 4.531 3.029 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.361 3.505 4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.211 3.313 3.613 1.00 0.00 H new ATOM 124 N GLY A 7 0.021 -1.336 1.695 1.00 0.00 N ATOM 125 CA GLY A 7 0.732 -2.591 1.777 1.00 0.00 C ATOM 126 C GLY A 7 1.901 -2.660 0.830 1.00 0.00 C ATOM 127 O GLY A 7 2.450 -1.635 0.426 1.00 0.00 O ATOM 0 H GLY A 7 0.562 -0.553 1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.087 -2.737 2.797 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.044 -3.408 1.559 1.00 0.00 H new ATOM 131 N VAL A 8 2.281 -3.874 0.475 1.00 0.00 N ATOM 132 CA VAL A 8 3.391 -4.080 -0.430 1.00 0.00 C ATOM 133 C VAL A 8 3.092 -5.215 -1.395 1.00 0.00 C ATOM 134 O VAL A 8 2.178 -6.007 -1.169 1.00 0.00 O ATOM 135 CB VAL A 8 4.696 -4.383 0.320 1.00 0.00 C ATOM 136 CG1 VAL A 8 5.862 -3.696 -0.368 1.00 0.00 C ATOM 137 CG2 VAL A 8 4.611 -3.950 1.777 1.00 0.00 C ATOM 0 H VAL A 8 1.835 -4.731 0.801 1.00 0.00 H new ATOM 0 HA VAL A 8 3.523 -3.151 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 8 4.855 -5.461 0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.784 -3.916 0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.945 -4.059 -1.392 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.696 -2.619 -0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.551 -4.178 2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.424 -2.877 1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.798 -4.484 2.268 1.00 0.00 H new ATOM 147 N PHE A 9 3.845 -5.277 -2.485 1.00 0.00 N ATOM 148 CA PHE A 9 3.624 -6.303 -3.490 1.00 0.00 C ATOM 149 C PHE A 9 4.873 -6.571 -4.321 1.00 0.00 C ATOM 150 O PHE A 9 5.443 -5.658 -4.916 1.00 0.00 O ATOM 151 CB PHE A 9 2.498 -5.857 -4.406 1.00 0.00 C ATOM 152 CG PHE A 9 1.187 -5.675 -3.706 1.00 0.00 C ATOM 153 CD1 PHE A 9 0.889 -4.491 -3.047 1.00 0.00 C ATOM 154 CD2 PHE A 9 0.245 -6.683 -3.719 1.00 0.00 C ATOM 155 CE1 PHE A 9 -0.327 -4.326 -2.417 1.00 0.00 C ATOM 156 CE2 PHE A 9 -0.970 -6.523 -3.090 1.00 0.00 C ATOM 157 CZ PHE A 9 -1.256 -5.343 -2.441 1.00 0.00 C ATOM 0 H PHE A 9 4.608 -4.633 -2.693 1.00 0.00 H new ATOM 0 HA PHE A 9 3.365 -7.229 -2.976 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.779 -4.917 -4.881 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.376 -6.592 -5.201 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.615 -3.692 -3.027 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.463 -7.610 -4.229 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.550 -3.401 -1.906 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.697 -7.322 -3.106 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.209 -5.214 -1.950 1.00 0.00 H new ATOM 167 N ARG A 10 5.276 -7.835 -4.385 1.00 0.00 N ATOM 168 CA ARG A 10 6.438 -8.217 -5.174 1.00 0.00 C ATOM 169 C ARG A 10 6.054 -8.308 -6.646 1.00 0.00 C ATOM 170 O ARG A 10 5.151 -9.058 -7.014 1.00 0.00 O ATOM 171 CB ARG A 10 7.005 -9.555 -4.683 1.00 0.00 C ATOM 172 CG ARG A 10 7.911 -10.252 -5.690 1.00 0.00 C ATOM 173 CD ARG A 10 7.166 -11.315 -6.483 1.00 0.00 C ATOM 174 NE ARG A 10 8.048 -12.038 -7.395 1.00 0.00 N ATOM 175 CZ ARG A 10 8.856 -13.026 -7.016 1.00 0.00 C ATOM 176 NH1 ARG A 10 8.899 -13.408 -5.746 1.00 0.00 N ATOM 177 NH2 ARG A 10 9.626 -13.631 -7.910 1.00 0.00 N ATOM 0 H ARG A 10 4.817 -8.608 -3.902 1.00 0.00 H new ATOM 0 HA ARG A 10 7.210 -7.457 -5.056 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.565 -9.385 -3.763 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.177 -10.219 -4.434 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.328 -9.514 -6.375 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.750 -10.711 -5.167 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.700 -12.020 -5.795 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.363 -10.846 -7.051 1.00 0.00 H new ATOM 0 HE ARG A 10 8.045 -11.771 -8.379 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.311 -12.944 -5.054 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.520 -14.166 -5.462 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.599 -13.339 -8.887 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.245 -14.388 -7.621 1.00 0.00 H new ATOM 191 N SER A 11 6.732 -7.534 -7.482 1.00 0.00 N ATOM 192 CA SER A 11 6.446 -7.532 -8.910 1.00 0.00 C ATOM 193 C SER A 11 6.666 -8.914 -9.511 1.00 0.00 C ATOM 194 O SER A 11 7.794 -9.296 -9.822 1.00 0.00 O ATOM 195 CB SER A 11 7.322 -6.511 -9.630 1.00 0.00 C ATOM 196 OG SER A 11 7.710 -5.463 -8.759 1.00 0.00 O ATOM 0 H SER A 11 7.481 -6.902 -7.198 1.00 0.00 H new ATOM 0 HA SER A 11 5.399 -7.258 -9.040 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.209 -7.005 -10.027 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.780 -6.098 -10.481 1.00 0.00 H new ATOM 0 HG SER A 11 7.832 -4.638 -9.274 1.00 0.00 H new ATOM 202 N GLY A 12 5.580 -9.657 -9.674 1.00 0.00 N ATOM 203 CA GLY A 12 5.668 -10.989 -10.241 1.00 0.00 C ATOM 204 C GLY A 12 5.629 -10.978 -11.755 1.00 0.00 C ATOM 205 O GLY A 12 6.261 -10.136 -12.393 1.00 0.00 O ATOM 0 H GLY A 12 4.637 -9.361 -9.423 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.592 -11.462 -9.908 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.845 -11.596 -9.864 1.00 0.00 H new ATOM 209 N GLY A 13 4.883 -11.913 -12.334 1.00 0.00 N ATOM 210 CA GLY A 13 4.777 -11.988 -13.780 1.00 0.00 C ATOM 211 C GLY A 13 3.450 -11.463 -14.291 1.00 0.00 C ATOM 212 O GLY A 13 3.285 -10.259 -14.487 1.00 0.00 O ATOM 0 H GLY A 13 4.350 -12.620 -11.828 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.588 -11.417 -14.231 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.901 -13.023 -14.097 1.00 0.00 H new ATOM 216 N GLU A 14 2.502 -12.369 -14.507 1.00 0.00 N ATOM 217 CA GLU A 14 1.181 -11.991 -14.999 1.00 0.00 C ATOM 218 C GLU A 14 0.510 -10.995 -14.056 1.00 0.00 C ATOM 219 O GLU A 14 -0.327 -10.197 -14.476 1.00 0.00 O ATOM 220 CB GLU A 14 0.298 -13.231 -15.169 1.00 0.00 C ATOM 221 CG GLU A 14 0.405 -14.224 -14.021 1.00 0.00 C ATOM 222 CD GLU A 14 -0.658 -15.303 -14.084 1.00 0.00 C ATOM 223 OE1 GLU A 14 -1.847 -14.957 -14.244 1.00 0.00 O ATOM 224 OE2 GLU A 14 -0.300 -16.495 -13.975 1.00 0.00 O ATOM 0 H GLU A 14 2.623 -13.369 -14.349 1.00 0.00 H new ATOM 0 HA GLU A 14 1.308 -11.512 -15.970 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.741 -12.915 -15.268 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.568 -13.733 -16.098 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.391 -14.689 -14.038 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.320 -13.690 -13.074 1.00 0.00 H new ATOM 231 N LYS A 15 0.888 -11.045 -12.782 1.00 0.00 N ATOM 232 CA LYS A 15 0.328 -10.145 -11.781 1.00 0.00 C ATOM 233 C LYS A 15 1.334 -9.892 -10.665 1.00 0.00 C ATOM 234 O LYS A 15 2.466 -10.373 -10.715 1.00 0.00 O ATOM 235 CB LYS A 15 -0.965 -10.722 -11.199 1.00 0.00 C ATOM 236 CG LYS A 15 -0.933 -12.230 -11.008 1.00 0.00 C ATOM 237 CD LYS A 15 -1.880 -12.932 -11.969 1.00 0.00 C ATOM 238 CE LYS A 15 -3.261 -13.111 -11.358 1.00 0.00 C ATOM 239 NZ LYS A 15 -3.872 -14.415 -11.738 1.00 0.00 N ATOM 0 H LYS A 15 1.580 -11.700 -12.419 1.00 0.00 H new ATOM 0 HA LYS A 15 0.099 -9.197 -12.269 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.163 -10.248 -10.238 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.795 -10.466 -11.858 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.082 -12.596 -11.163 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.207 -12.474 -9.982 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.960 -12.354 -12.890 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.471 -13.906 -12.238 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.189 -13.047 -10.272 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.910 -12.298 -11.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.873 -14.272 -11.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.369 -14.808 -12.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.801 -15.078 -10.939 1.00 0.00 H new ATOM 253 N ALA A 16 0.916 -9.133 -9.660 1.00 0.00 N ATOM 254 CA ALA A 16 1.781 -8.813 -8.534 1.00 0.00 C ATOM 255 C ALA A 16 1.682 -9.871 -7.443 1.00 0.00 C ATOM 256 O ALA A 16 0.598 -10.371 -7.145 1.00 0.00 O ATOM 257 CB ALA A 16 1.424 -7.448 -7.974 1.00 0.00 C ATOM 0 H ALA A 16 -0.018 -8.728 -9.603 1.00 0.00 H new ATOM 0 HA ALA A 16 2.810 -8.795 -8.893 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.077 -7.218 -7.132 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.551 -6.692 -8.749 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.387 -7.452 -7.638 1.00 0.00 H new ATOM 263 N LEU A 17 2.819 -10.201 -6.843 1.00 0.00 N ATOM 264 CA LEU A 17 2.855 -11.192 -5.778 1.00 0.00 C ATOM 265 C LEU A 17 2.541 -10.540 -4.434 1.00 0.00 C ATOM 266 O LEU A 17 3.191 -9.575 -4.034 1.00 0.00 O ATOM 267 CB LEU A 17 4.221 -11.876 -5.728 1.00 0.00 C ATOM 268 CG LEU A 17 4.317 -13.059 -4.765 1.00 0.00 C ATOM 269 CD1 LEU A 17 5.331 -14.074 -5.268 1.00 0.00 C ATOM 270 CD2 LEU A 17 4.686 -12.579 -3.369 1.00 0.00 C ATOM 0 H LEU A 17 3.726 -9.797 -7.076 1.00 0.00 H new ATOM 0 HA LEU A 17 2.097 -11.947 -5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.474 -12.221 -6.730 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.971 -11.136 -5.447 1.00 0.00 H new ATOM 0 HG LEU A 17 3.342 -13.545 -4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.386 -14.909 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.024 -14.440 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.310 -13.602 -5.347 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.750 -13.434 -2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.649 -12.070 -3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.923 -11.889 -3.008 1.00 0.00 H new ATOM 282 N GLU A 18 1.529 -11.064 -3.751 1.00 0.00 N ATOM 283 CA GLU A 18 1.110 -10.528 -2.461 1.00 0.00 C ATOM 284 C GLU A 18 2.264 -10.464 -1.462 1.00 0.00 C ATOM 285 O GLU A 18 2.690 -11.486 -0.923 1.00 0.00 O ATOM 286 CB GLU A 18 -0.027 -11.374 -1.884 1.00 0.00 C ATOM 287 CG GLU A 18 -1.227 -11.490 -2.808 1.00 0.00 C ATOM 288 CD GLU A 18 -1.969 -12.802 -2.639 1.00 0.00 C ATOM 289 OE1 GLU A 18 -1.354 -13.865 -2.865 1.00 0.00 O ATOM 290 OE2 GLU A 18 -3.166 -12.766 -2.283 1.00 0.00 O ATOM 0 H GLU A 18 0.982 -11.863 -4.071 1.00 0.00 H new ATOM 0 HA GLU A 18 0.762 -9.509 -2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.350 -12.373 -1.664 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.348 -10.939 -0.938 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.910 -10.663 -2.615 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.895 -11.395 -3.842 1.00 0.00 H new ATOM 297 N LEU A 19 2.744 -9.251 -1.201 1.00 0.00 N ATOM 298 CA LEU A 19 3.827 -9.039 -0.244 1.00 0.00 C ATOM 299 C LEU A 19 3.242 -8.851 1.152 1.00 0.00 C ATOM 300 O LEU A 19 3.407 -9.701 2.025 1.00 0.00 O ATOM 301 CB LEU A 19 4.656 -7.824 -0.642 1.00 0.00 C ATOM 302 CG LEU A 19 6.145 -7.906 -0.306 1.00 0.00 C ATOM 303 CD1 LEU A 19 6.768 -9.164 -0.896 1.00 0.00 C ATOM 304 CD2 LEU A 19 6.866 -6.674 -0.821 1.00 0.00 C ATOM 0 H LEU A 19 2.399 -8.397 -1.640 1.00 0.00 H new ATOM 0 HA LEU A 19 4.480 -9.911 -0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.551 -7.670 -1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.238 -6.944 -0.152 1.00 0.00 H new ATOM 0 HG LEU A 19 6.248 -7.951 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.828 -9.198 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.269 -10.043 -0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.654 -9.152 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.926 -6.744 -0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.747 -6.608 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.444 -5.784 -0.355 1.00 0.00 H new ATOM 316 N SER A 20 2.521 -7.750 1.337 1.00 0.00 N ATOM 317 CA SER A 20 1.861 -7.463 2.604 1.00 0.00 C ATOM 318 C SER A 20 0.513 -6.802 2.330 1.00 0.00 C ATOM 319 O SER A 20 0.322 -6.207 1.270 1.00 0.00 O ATOM 320 CB SER A 20 2.724 -6.582 3.514 1.00 0.00 C ATOM 321 OG SER A 20 2.227 -5.255 3.587 1.00 0.00 O ATOM 0 H SER A 20 2.379 -7.038 0.620 1.00 0.00 H new ATOM 0 HA SER A 20 1.707 -8.404 3.132 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.756 -7.014 4.514 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.748 -6.567 3.141 1.00 0.00 H new ATOM 0 HG SER A 20 1.553 -5.197 4.296 1.00 0.00 H new ATOM 327 N GLU A 21 -0.430 -6.914 3.262 1.00 0.00 N ATOM 328 CA GLU A 21 -1.747 -6.320 3.051 1.00 0.00 C ATOM 329 C GLU A 21 -2.317 -5.677 4.312 1.00 0.00 C ATOM 330 O GLU A 21 -2.668 -6.362 5.273 1.00 0.00 O ATOM 331 CB GLU A 21 -2.728 -7.378 2.537 1.00 0.00 C ATOM 332 CG GLU A 21 -2.333 -7.990 1.201 1.00 0.00 C ATOM 333 CD GLU A 21 -2.411 -9.505 1.208 1.00 0.00 C ATOM 334 OE1 GLU A 21 -3.511 -10.044 0.968 1.00 0.00 O ATOM 335 OE2 GLU A 21 -1.370 -10.151 1.454 1.00 0.00 O ATOM 0 H GLU A 21 -0.312 -7.399 4.151 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.616 -5.531 2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.811 -8.172 3.279 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.716 -6.927 2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.985 -7.600 0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.317 -7.683 0.951 1.00 0.00 H new ATOM 342 N VAL A 22 -2.444 -4.355 4.273 1.00 0.00 N ATOM 343 CA VAL A 22 -3.013 -3.597 5.375 1.00 0.00 C ATOM 344 C VAL A 22 -4.229 -2.820 4.873 1.00 0.00 C ATOM 345 O VAL A 22 -4.186 -2.220 3.800 1.00 0.00 O ATOM 346 CB VAL A 22 -1.978 -2.637 6.000 1.00 0.00 C ATOM 347 CG1 VAL A 22 -1.581 -1.527 5.040 1.00 0.00 C ATOM 348 CG2 VAL A 22 -2.509 -2.048 7.295 1.00 0.00 C ATOM 0 H VAL A 22 -2.156 -3.783 3.479 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.318 -4.294 6.156 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.084 -3.222 6.216 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.851 -0.875 5.520 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.143 -1.962 4.142 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.463 -0.947 4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.765 -1.374 7.720 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.427 -1.495 7.094 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.717 -2.851 8.002 1.00 0.00 H new ATOM 358 N LYS A 23 -5.327 -2.866 5.620 1.00 0.00 N ATOM 359 CA LYS A 23 -6.547 -2.188 5.192 1.00 0.00 C ATOM 360 C LYS A 23 -7.048 -1.172 6.201 1.00 0.00 C ATOM 361 O LYS A 23 -6.608 -1.127 7.351 1.00 0.00 O ATOM 362 CB LYS A 23 -7.663 -3.202 4.941 1.00 0.00 C ATOM 363 CG LYS A 23 -7.201 -4.460 4.223 1.00 0.00 C ATOM 364 CD LYS A 23 -8.374 -5.351 3.851 1.00 0.00 C ATOM 365 CE LYS A 23 -7.909 -6.624 3.160 1.00 0.00 C ATOM 366 NZ LYS A 23 -8.755 -7.794 3.523 1.00 0.00 N ATOM 0 H LYS A 23 -5.399 -3.357 6.511 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.288 -1.659 4.275 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.107 -3.483 5.896 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.447 -2.726 4.352 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.651 -4.185 3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.511 -5.012 4.861 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.937 -5.608 4.749 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.052 -4.806 3.194 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.933 -6.480 2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.873 -6.827 3.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.405 -8.641 3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.712 -7.948 4.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.739 -7.612 3.241 1.00 0.00 H new ATOM 380 N ASP A 24 -8.016 -0.388 5.747 1.00 0.00 N ATOM 381 CA ASP A 24 -8.663 0.617 6.565 1.00 0.00 C ATOM 382 C ASP A 24 -10.120 0.729 6.136 1.00 0.00 C ATOM 383 O ASP A 24 -10.427 1.248 5.063 1.00 0.00 O ATOM 384 CB ASP A 24 -7.961 1.969 6.416 1.00 0.00 C ATOM 385 CG ASP A 24 -8.566 3.037 7.305 1.00 0.00 C ATOM 386 OD1 ASP A 24 -9.793 3.255 7.220 1.00 0.00 O ATOM 387 OD2 ASP A 24 -7.814 3.655 8.086 1.00 0.00 O ATOM 0 H ASP A 24 -8.374 -0.435 4.793 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.606 0.325 7.614 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.904 1.855 6.658 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.017 2.291 5.376 1.00 0.00 H new ATOM 392 N LEU A 25 -11.008 0.222 6.976 1.00 0.00 N ATOM 393 CA LEU A 25 -12.436 0.236 6.692 1.00 0.00 C ATOM 394 C LEU A 25 -13.173 1.115 7.691 1.00 0.00 C ATOM 395 O LEU A 25 -13.805 0.622 8.625 1.00 0.00 O ATOM 396 CB LEU A 25 -12.986 -1.189 6.728 1.00 0.00 C ATOM 397 CG LEU A 25 -12.122 -2.231 6.012 1.00 0.00 C ATOM 398 CD1 LEU A 25 -12.812 -3.586 6.002 1.00 0.00 C ATOM 399 CD2 LEU A 25 -11.809 -1.782 4.592 1.00 0.00 C ATOM 0 H LEU A 25 -10.763 -0.208 7.868 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.591 0.651 5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.106 -1.491 7.769 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.979 -1.191 6.279 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.183 -2.329 6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.181 -4.312 5.489 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -12.983 -3.915 7.027 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -13.767 -3.504 5.483 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.194 -2.535 4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.739 -1.653 4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.269 -0.835 4.620 1.00 0.00 H new ATOM 411 N SER A 26 -13.070 2.421 7.492 1.00 0.00 N ATOM 412 CA SER A 26 -13.713 3.383 8.386 1.00 0.00 C ATOM 413 C SER A 26 -14.837 4.152 7.690 1.00 0.00 C ATOM 414 O SER A 26 -15.715 4.707 8.352 1.00 0.00 O ATOM 415 CB SER A 26 -12.677 4.368 8.930 1.00 0.00 C ATOM 416 OG SER A 26 -12.055 5.087 7.880 1.00 0.00 O ATOM 0 H SER A 26 -12.549 2.842 6.722 1.00 0.00 H new ATOM 0 HA SER A 26 -14.154 2.818 9.207 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.159 5.065 9.616 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.922 3.828 9.502 1.00 0.00 H new ATOM 0 HG SER A 26 -11.284 4.581 7.549 1.00 0.00 H new ATOM 422 N GLN A 27 -14.806 4.198 6.362 1.00 0.00 N ATOM 423 CA GLN A 27 -15.824 4.919 5.602 1.00 0.00 C ATOM 424 C GLN A 27 -16.904 3.978 5.070 1.00 0.00 C ATOM 425 O GLN A 27 -18.027 4.402 4.796 1.00 0.00 O ATOM 426 CB GLN A 27 -15.175 5.678 4.442 1.00 0.00 C ATOM 427 CG GLN A 27 -15.455 7.173 4.463 1.00 0.00 C ATOM 428 CD GLN A 27 -16.776 7.528 3.810 1.00 0.00 C ATOM 429 OE1 GLN A 27 -17.348 6.732 3.066 1.00 0.00 O ATOM 430 NE2 GLN A 27 -17.267 8.730 4.087 1.00 0.00 N ATOM 0 H GLN A 27 -14.091 3.747 5.791 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.302 5.627 6.278 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.097 5.518 4.471 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -15.534 5.262 3.500 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.458 7.524 5.495 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -14.648 7.697 3.951 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -16.758 9.358 4.710 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.153 9.026 3.677 1.00 0.00 H new ATOM 439 N PHE A 28 -16.559 2.705 4.918 1.00 0.00 N ATOM 440 CA PHE A 28 -17.501 1.711 4.409 1.00 0.00 C ATOM 441 C PHE A 28 -18.480 1.275 5.497 1.00 0.00 C ATOM 442 O PHE A 28 -18.174 1.349 6.687 1.00 0.00 O ATOM 443 CB PHE A 28 -16.744 0.502 3.859 1.00 0.00 C ATOM 444 CG PHE A 28 -15.422 0.867 3.251 1.00 0.00 C ATOM 445 CD1 PHE A 28 -15.362 1.611 2.085 1.00 0.00 C ATOM 446 CD2 PHE A 28 -14.240 0.484 3.860 1.00 0.00 C ATOM 447 CE1 PHE A 28 -14.144 1.963 1.536 1.00 0.00 C ATOM 448 CE2 PHE A 28 -13.022 0.836 3.317 1.00 0.00 C ATOM 449 CZ PHE A 28 -12.974 1.574 2.156 1.00 0.00 C ATOM 0 H PHE A 28 -15.635 2.335 5.139 1.00 0.00 H new ATOM 0 HA PHE A 28 -18.075 2.167 3.602 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -16.582 -0.216 4.663 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -17.359 0.006 3.108 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -16.276 1.919 1.600 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -14.272 -0.097 4.770 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -14.108 2.541 0.624 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -12.106 0.533 3.803 1.00 0.00 H new ATOM 0 HZ PHE A 28 -12.020 1.849 1.730 1.00 0.00 H new ATOM 459 N GLY A 29 -19.660 0.828 5.079 1.00 0.00 N ATOM 460 CA GLY A 29 -20.672 0.394 6.026 1.00 0.00 C ATOM 461 C GLY A 29 -20.215 -0.768 6.887 1.00 0.00 C ATOM 462 O GLY A 29 -19.029 -1.100 6.917 1.00 0.00 O ATOM 0 H GLY A 29 -19.934 0.758 4.099 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -20.944 1.231 6.669 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -21.571 0.105 5.482 1.00 0.00 H new ATOM 466 N PHE A 30 -21.160 -1.386 7.591 1.00 0.00 N ATOM 467 CA PHE A 30 -20.857 -2.518 8.461 1.00 0.00 C ATOM 468 C PHE A 30 -21.149 -3.840 7.756 1.00 0.00 C ATOM 469 O PHE A 30 -21.514 -4.828 8.394 1.00 0.00 O ATOM 470 CB PHE A 30 -21.668 -2.426 9.754 1.00 0.00 C ATOM 471 CG PHE A 30 -23.153 -2.492 9.536 1.00 0.00 C ATOM 472 CD1 PHE A 30 -23.882 -1.339 9.289 1.00 0.00 C ATOM 473 CD2 PHE A 30 -23.819 -3.706 9.578 1.00 0.00 C ATOM 474 CE1 PHE A 30 -25.247 -1.397 9.088 1.00 0.00 C ATOM 475 CE2 PHE A 30 -25.185 -3.770 9.378 1.00 0.00 C ATOM 476 CZ PHE A 30 -25.900 -2.614 9.132 1.00 0.00 C ATOM 0 H PHE A 30 -22.145 -1.120 7.575 1.00 0.00 H new ATOM 0 HA PHE A 30 -19.795 -2.483 8.704 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -21.370 -3.237 10.419 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -21.424 -1.492 10.261 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -23.377 -0.385 9.253 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -23.264 -4.613 9.769 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -25.804 -0.492 8.897 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -25.693 -4.723 9.414 1.00 0.00 H new ATOM 0 HZ PHE A 30 -26.967 -2.661 8.974 1.00 0.00 H new ATOM 486 N PHE A 31 -20.983 -3.848 6.439 1.00 0.00 N ATOM 487 CA PHE A 31 -21.222 -5.042 5.639 1.00 0.00 C ATOM 488 C PHE A 31 -20.405 -4.985 4.356 1.00 0.00 C ATOM 489 O PHE A 31 -19.720 -5.944 3.997 1.00 0.00 O ATOM 490 CB PHE A 31 -22.710 -5.177 5.309 1.00 0.00 C ATOM 491 CG PHE A 31 -23.332 -3.905 4.809 1.00 0.00 C ATOM 492 CD1 PHE A 31 -23.760 -2.932 5.697 1.00 0.00 C ATOM 493 CD2 PHE A 31 -23.488 -3.684 3.450 1.00 0.00 C ATOM 494 CE1 PHE A 31 -24.333 -1.760 5.239 1.00 0.00 C ATOM 495 CE2 PHE A 31 -24.060 -2.514 2.986 1.00 0.00 C ATOM 496 CZ PHE A 31 -24.484 -1.552 3.882 1.00 0.00 C ATOM 0 H PHE A 31 -20.682 -3.036 5.900 1.00 0.00 H new ATOM 0 HA PHE A 31 -20.914 -5.914 6.217 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -22.838 -5.955 4.556 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -23.243 -5.506 6.201 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -23.645 -3.091 6.759 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -23.159 -4.434 2.746 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -24.662 -1.008 5.941 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -24.175 -2.352 1.924 1.00 0.00 H new ATOM 0 HZ PHE A 31 -24.933 -0.638 3.522 1.00 0.00 H new ATOM 506 N GLU A 32 -20.470 -3.845 3.677 1.00 0.00 N ATOM 507 CA GLU A 32 -19.725 -3.646 2.442 1.00 0.00 C ATOM 508 C GLU A 32 -18.240 -3.471 2.741 1.00 0.00 C ATOM 509 O GLU A 32 -17.388 -3.763 1.903 1.00 0.00 O ATOM 510 CB GLU A 32 -20.254 -2.422 1.693 1.00 0.00 C ATOM 511 CG GLU A 32 -19.521 -2.141 0.391 1.00 0.00 C ATOM 512 CD GLU A 32 -20.162 -1.024 -0.409 1.00 0.00 C ATOM 513 OE1 GLU A 32 -21.190 -1.281 -1.071 1.00 0.00 O ATOM 514 OE2 GLU A 32 -19.637 0.110 -0.374 1.00 0.00 O ATOM 0 H GLU A 32 -21.033 -3.044 3.963 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.857 -4.527 1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -21.313 -2.567 1.480 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -20.175 -1.548 2.340 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -18.486 -1.878 0.610 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -19.499 -3.049 -0.212 1.00 0.00 H new ATOM 521 N ARG A 33 -17.938 -2.994 3.949 1.00 0.00 N ATOM 522 CA ARG A 33 -16.559 -2.779 4.371 1.00 0.00 C ATOM 523 C ARG A 33 -15.697 -4.000 4.065 1.00 0.00 C ATOM 524 O ARG A 33 -14.510 -3.877 3.762 1.00 0.00 O ATOM 525 CB ARG A 33 -16.509 -2.464 5.869 1.00 0.00 C ATOM 526 CG ARG A 33 -17.168 -3.523 6.739 1.00 0.00 C ATOM 527 CD ARG A 33 -16.228 -4.018 7.827 1.00 0.00 C ATOM 528 NE ARG A 33 -15.886 -2.962 8.777 1.00 0.00 N ATOM 529 CZ ARG A 33 -15.045 -3.126 9.796 1.00 0.00 C ATOM 530 NH1 ARG A 33 -14.459 -4.299 9.999 1.00 0.00 N ATOM 531 NH2 ARG A 33 -14.788 -2.113 10.613 1.00 0.00 N ATOM 0 H ARG A 33 -18.635 -2.749 4.653 1.00 0.00 H new ATOM 0 HA ARG A 33 -16.161 -1.931 3.813 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.468 -2.353 6.173 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.997 -1.506 6.046 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -18.068 -3.111 7.195 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -17.480 -4.362 6.118 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -16.694 -4.847 8.359 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -15.317 -4.404 7.371 1.00 0.00 H new ATOM 0 HE ARG A 33 -16.317 -2.046 8.652 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.652 -5.081 9.373 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.816 -4.419 10.781 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.235 -1.209 10.460 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.144 -2.238 11.394 1.00 0.00 H new ATOM 545 N SER A 34 -16.309 -5.177 4.135 1.00 0.00 N ATOM 546 CA SER A 34 -15.604 -6.421 3.853 1.00 0.00 C ATOM 547 C SER A 34 -15.362 -6.563 2.356 1.00 0.00 C ATOM 548 O SER A 34 -14.242 -6.831 1.915 1.00 0.00 O ATOM 549 CB SER A 34 -16.410 -7.614 4.371 1.00 0.00 C ATOM 550 OG SER A 34 -15.708 -8.829 4.172 1.00 0.00 O ATOM 0 H SER A 34 -17.291 -5.295 4.384 1.00 0.00 H new ATOM 0 HA SER A 34 -14.641 -6.399 4.363 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.620 -7.482 5.432 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.371 -7.658 3.859 1.00 0.00 H new ATOM 0 HG SER A 34 -16.243 -9.576 4.513 1.00 0.00 H new ATOM 556 N SER A 35 -16.421 -6.366 1.576 1.00 0.00 N ATOM 557 CA SER A 35 -16.329 -6.459 0.126 1.00 0.00 C ATOM 558 C SER A 35 -15.294 -5.475 -0.406 1.00 0.00 C ATOM 559 O SER A 35 -14.560 -5.779 -1.348 1.00 0.00 O ATOM 560 CB SER A 35 -17.691 -6.186 -0.515 1.00 0.00 C ATOM 561 OG SER A 35 -18.739 -6.349 0.426 1.00 0.00 O ATOM 0 H SER A 35 -17.352 -6.141 1.926 1.00 0.00 H new ATOM 0 HA SER A 35 -16.017 -7.470 -0.134 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.712 -5.172 -0.915 1.00 0.00 H new ATOM 0 HB3 SER A 35 -17.844 -6.864 -1.355 1.00 0.00 H new ATOM 0 HG SER A 35 -19.599 -6.167 -0.007 1.00 0.00 H new ATOM 567 N VAL A 36 -15.232 -4.298 0.209 1.00 0.00 N ATOM 568 CA VAL A 36 -14.273 -3.283 -0.206 1.00 0.00 C ATOM 569 C VAL A 36 -12.855 -3.751 0.082 1.00 0.00 C ATOM 570 O VAL A 36 -11.976 -3.649 -0.772 1.00 0.00 O ATOM 571 CB VAL A 36 -14.496 -1.926 0.490 1.00 0.00 C ATOM 572 CG1 VAL A 36 -13.937 -0.805 -0.368 1.00 0.00 C ATOM 573 CG2 VAL A 36 -15.972 -1.692 0.787 1.00 0.00 C ATOM 0 H VAL A 36 -15.829 -4.026 0.990 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.423 -3.140 -1.276 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.967 -1.939 1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -14.099 0.150 0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -12.869 -0.960 -0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.442 -0.800 -1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.096 -0.727 1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -16.536 -1.700 -0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.341 -2.482 1.441 1.00 0.00 H new ATOM 583 N GLY A 37 -12.642 -4.282 1.286 1.00 0.00 N ATOM 584 CA GLY A 37 -11.326 -4.776 1.650 1.00 0.00 C ATOM 585 C GLY A 37 -10.765 -5.683 0.578 1.00 0.00 C ATOM 586 O GLY A 37 -9.620 -5.525 0.151 1.00 0.00 O ATOM 0 H GLY A 37 -13.354 -4.378 2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.650 -3.935 1.809 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.387 -5.318 2.593 1.00 0.00 H new ATOM 590 N GLN A 38 -11.591 -6.618 0.120 1.00 0.00 N ATOM 591 CA GLN A 38 -11.186 -7.532 -0.937 1.00 0.00 C ATOM 592 C GLN A 38 -10.930 -6.741 -2.215 1.00 0.00 C ATOM 593 O GLN A 38 -10.039 -7.069 -2.999 1.00 0.00 O ATOM 594 CB GLN A 38 -12.267 -8.588 -1.176 1.00 0.00 C ATOM 595 CG GLN A 38 -11.821 -9.718 -2.089 1.00 0.00 C ATOM 596 CD GLN A 38 -10.549 -10.388 -1.610 1.00 0.00 C ATOM 597 OE1 GLN A 38 -9.630 -10.634 -2.392 1.00 0.00 O ATOM 598 NE2 GLN A 38 -10.489 -10.689 -0.318 1.00 0.00 N ATOM 0 H GLN A 38 -12.541 -6.761 0.464 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.271 -8.043 -0.637 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -12.573 -9.006 -0.217 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -13.144 -8.107 -1.609 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -12.616 -10.461 -2.156 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.665 -9.327 -3.095 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.274 -10.467 0.294 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.658 -11.142 0.062 1.00 0.00 H new ATOM 607 N PHE A 39 -11.715 -5.681 -2.402 1.00 0.00 N ATOM 608 CA PHE A 39 -11.578 -4.818 -3.566 1.00 0.00 C ATOM 609 C PHE A 39 -10.244 -4.082 -3.521 1.00 0.00 C ATOM 610 O PHE A 39 -9.601 -3.866 -4.549 1.00 0.00 O ATOM 611 CB PHE A 39 -12.728 -3.809 -3.618 1.00 0.00 C ATOM 612 CG PHE A 39 -12.969 -3.244 -4.989 1.00 0.00 C ATOM 613 CD1 PHE A 39 -12.105 -2.303 -5.526 1.00 0.00 C ATOM 614 CD2 PHE A 39 -14.059 -3.654 -5.740 1.00 0.00 C ATOM 615 CE1 PHE A 39 -12.324 -1.782 -6.786 1.00 0.00 C ATOM 616 CE2 PHE A 39 -14.283 -3.135 -7.001 1.00 0.00 C ATOM 617 CZ PHE A 39 -13.414 -2.198 -7.525 1.00 0.00 C ATOM 0 H PHE A 39 -12.454 -5.401 -1.757 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.612 -5.437 -4.463 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.640 -4.292 -3.267 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.515 -2.992 -2.929 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -11.251 -1.973 -4.953 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -14.741 -4.387 -5.335 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -11.643 -1.049 -7.193 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -15.137 -3.462 -7.576 1.00 0.00 H new ATOM 0 HZ PHE A 39 -13.587 -1.791 -8.511 1.00 0.00 H new ATOM 627 N MET A 40 -9.838 -3.705 -2.314 1.00 0.00 N ATOM 628 CA MET A 40 -8.585 -2.994 -2.112 1.00 0.00 C ATOM 629 C MET A 40 -7.397 -3.851 -2.531 1.00 0.00 C ATOM 630 O MET A 40 -6.539 -3.406 -3.293 1.00 0.00 O ATOM 631 CB MET A 40 -8.442 -2.592 -0.645 1.00 0.00 C ATOM 632 CG MET A 40 -9.510 -1.620 -0.173 1.00 0.00 C ATOM 633 SD MET A 40 -9.222 0.065 -0.747 1.00 0.00 S ATOM 634 CE MET A 40 -10.881 0.737 -0.669 1.00 0.00 C ATOM 0 H MET A 40 -10.363 -3.882 -1.457 1.00 0.00 H new ATOM 0 HA MET A 40 -8.599 -2.098 -2.733 1.00 0.00 H new ATOM 0 HB2 MET A 40 -8.480 -3.488 -0.026 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.461 -2.142 -0.494 1.00 0.00 H new ATOM 0 HG2 MET A 40 -10.484 -1.958 -0.526 1.00 0.00 H new ATOM 0 HG3 MET A 40 -9.546 -1.627 0.916 1.00 0.00 H new ATOM 0 HE1 MET A 40 -10.841 1.820 -0.786 1.00 0.00 H new ATOM 0 HE2 MET A 40 -11.485 0.308 -1.468 1.00 0.00 H new ATOM 0 HE3 MET A 40 -11.328 0.493 0.295 1.00 0.00 H new ATOM 644 N THR A 41 -7.349 -5.078 -2.025 1.00 0.00 N ATOM 645 CA THR A 41 -6.260 -5.993 -2.347 1.00 0.00 C ATOM 646 C THR A 41 -6.169 -6.225 -3.851 1.00 0.00 C ATOM 647 O THR A 41 -5.151 -5.924 -4.464 1.00 0.00 O ATOM 648 CB THR A 41 -6.453 -7.326 -1.624 1.00 0.00 C ATOM 649 OG1 THR A 41 -7.130 -7.137 -0.394 1.00 0.00 O ATOM 650 CG2 THR A 41 -5.151 -8.040 -1.329 1.00 0.00 C ATOM 0 H THR A 41 -8.050 -5.462 -1.391 1.00 0.00 H new ATOM 0 HA THR A 41 -5.328 -5.538 -2.011 1.00 0.00 H new ATOM 0 HB THR A 41 -7.040 -7.942 -2.305 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.245 -8.002 0.052 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.359 -8.979 -0.815 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.629 -8.246 -2.264 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.526 -7.410 -0.696 1.00 0.00 H new ATOM 658 N PHE A 42 -7.238 -6.756 -4.442 1.00 0.00 N ATOM 659 CA PHE A 42 -7.272 -7.020 -5.880 1.00 0.00 C ATOM 660 C PHE A 42 -6.724 -5.828 -6.663 1.00 0.00 C ATOM 661 O PHE A 42 -5.980 -5.990 -7.631 1.00 0.00 O ATOM 662 CB PHE A 42 -8.701 -7.326 -6.330 1.00 0.00 C ATOM 663 CG PHE A 42 -8.774 -8.297 -7.475 1.00 0.00 C ATOM 664 CD1 PHE A 42 -8.447 -7.897 -8.761 1.00 0.00 C ATOM 665 CD2 PHE A 42 -9.168 -9.609 -7.265 1.00 0.00 C ATOM 666 CE1 PHE A 42 -8.512 -8.787 -9.816 1.00 0.00 C ATOM 667 CE2 PHE A 42 -9.234 -10.503 -8.317 1.00 0.00 C ATOM 668 CZ PHE A 42 -8.906 -10.091 -9.593 1.00 0.00 C ATOM 0 H PHE A 42 -8.092 -7.012 -3.947 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.642 -7.887 -6.081 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.261 -7.729 -5.486 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.189 -6.396 -6.621 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.138 -6.878 -8.941 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -9.426 -9.936 -6.269 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.255 -8.463 -10.814 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.542 -11.523 -8.141 1.00 0.00 H new ATOM 0 HZ PHE A 42 -8.958 -10.788 -10.416 1.00 0.00 H new ATOM 678 N PHE A 43 -7.088 -4.631 -6.221 1.00 0.00 N ATOM 679 CA PHE A 43 -6.629 -3.402 -6.857 1.00 0.00 C ATOM 680 C PHE A 43 -5.172 -3.142 -6.499 1.00 0.00 C ATOM 681 O PHE A 43 -4.398 -2.661 -7.323 1.00 0.00 O ATOM 682 CB PHE A 43 -7.503 -2.223 -6.414 1.00 0.00 C ATOM 683 CG PHE A 43 -7.755 -1.203 -7.491 1.00 0.00 C ATOM 684 CD1 PHE A 43 -7.973 -1.594 -8.805 1.00 0.00 C ATOM 685 CD2 PHE A 43 -7.777 0.150 -7.188 1.00 0.00 C ATOM 686 CE1 PHE A 43 -8.208 -0.657 -9.792 1.00 0.00 C ATOM 687 CE2 PHE A 43 -8.011 1.091 -8.173 1.00 0.00 C ATOM 688 CZ PHE A 43 -8.227 0.687 -9.476 1.00 0.00 C ATOM 0 H PHE A 43 -7.703 -4.485 -5.420 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.710 -3.511 -7.939 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.460 -2.607 -6.062 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.026 -1.730 -5.567 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.959 -2.644 -9.059 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.609 0.472 -6.171 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.377 -0.975 -10.810 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.025 2.142 -7.924 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.410 1.421 -10.247 1.00 0.00 H new ATOM 698 N ALA A 44 -4.810 -3.475 -5.264 1.00 0.00 N ATOM 699 CA ALA A 44 -3.448 -3.289 -4.777 1.00 0.00 C ATOM 700 C ALA A 44 -2.473 -4.228 -5.488 1.00 0.00 C ATOM 701 O ALA A 44 -1.338 -3.853 -5.807 1.00 0.00 O ATOM 702 CB ALA A 44 -3.407 -3.516 -3.275 1.00 0.00 C ATOM 0 H ALA A 44 -5.447 -3.878 -4.577 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.139 -2.267 -4.994 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.388 -3.376 -2.914 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.068 -2.804 -2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.735 -4.531 -3.051 1.00 0.00 H new ATOM 708 N GLU A 45 -2.930 -5.444 -5.749 1.00 0.00 N ATOM 709 CA GLU A 45 -2.123 -6.435 -6.438 1.00 0.00 C ATOM 710 C GLU A 45 -1.999 -6.055 -7.905 1.00 0.00 C ATOM 711 O GLU A 45 -0.955 -6.248 -8.528 1.00 0.00 O ATOM 712 CB GLU A 45 -2.760 -7.817 -6.299 1.00 0.00 C ATOM 713 CG GLU A 45 -4.159 -7.891 -6.878 1.00 0.00 C ATOM 714 CD GLU A 45 -4.687 -9.311 -6.952 1.00 0.00 C ATOM 715 OE1 GLU A 45 -5.198 -9.809 -5.927 1.00 0.00 O ATOM 716 OE2 GLU A 45 -4.589 -9.926 -8.035 1.00 0.00 O ATOM 0 H GLU A 45 -3.862 -5.768 -5.491 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.129 -6.466 -5.992 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.128 -8.553 -6.797 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.796 -8.089 -5.244 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.832 -7.289 -6.268 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.158 -7.456 -7.877 1.00 0.00 H new ATOM 723 N THR A 46 -3.073 -5.486 -8.446 1.00 0.00 N ATOM 724 CA THR A 46 -3.089 -5.050 -9.832 1.00 0.00 C ATOM 725 C THR A 46 -2.050 -3.954 -10.028 1.00 0.00 C ATOM 726 O THR A 46 -1.192 -4.048 -10.904 1.00 0.00 O ATOM 727 CB THR A 46 -4.492 -4.553 -10.210 1.00 0.00 C ATOM 728 OG1 THR A 46 -5.300 -5.631 -10.647 1.00 0.00 O ATOM 729 CG2 THR A 46 -4.503 -3.505 -11.304 1.00 0.00 C ATOM 0 H THR A 46 -3.943 -5.318 -7.941 1.00 0.00 H new ATOM 0 HA THR A 46 -2.841 -5.887 -10.484 1.00 0.00 H new ATOM 0 HB THR A 46 -4.882 -4.097 -9.300 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.771 -6.019 -9.880 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.531 -3.207 -11.512 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.931 -2.635 -10.980 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.055 -3.918 -12.208 1.00 0.00 H new ATOM 737 N VAL A 47 -2.122 -2.921 -9.195 1.00 0.00 N ATOM 738 CA VAL A 47 -1.169 -1.815 -9.272 1.00 0.00 C ATOM 739 C VAL A 47 0.246 -2.341 -9.364 1.00 0.00 C ATOM 740 O VAL A 47 0.944 -2.108 -10.348 1.00 0.00 O ATOM 741 CB VAL A 47 -1.221 -0.868 -8.052 1.00 0.00 C ATOM 742 CG1 VAL A 47 -1.699 0.498 -8.453 1.00 0.00 C ATOM 743 CG2 VAL A 47 -2.084 -1.397 -6.937 1.00 0.00 C ATOM 0 H VAL A 47 -2.825 -2.825 -8.462 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.454 -1.255 -10.163 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.200 -0.803 -7.676 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.727 1.146 -7.577 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.019 0.919 -9.194 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.699 0.423 -8.880 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.082 -0.689 -6.108 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.104 -1.530 -7.298 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.692 -2.355 -6.597 1.00 0.00 H new ATOM 753 N ALA A 48 0.664 -3.062 -8.332 1.00 0.00 N ATOM 754 CA ALA A 48 1.999 -3.624 -8.318 1.00 0.00 C ATOM 755 C ALA A 48 2.244 -4.406 -9.603 1.00 0.00 C ATOM 756 O ALA A 48 3.369 -4.472 -10.100 1.00 0.00 O ATOM 757 CB ALA A 48 2.195 -4.481 -7.082 1.00 0.00 C ATOM 0 H ALA A 48 0.103 -3.267 -7.505 1.00 0.00 H new ATOM 0 HA ALA A 48 2.734 -2.821 -8.274 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.202 -4.897 -7.084 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.056 -3.870 -6.190 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.467 -5.292 -7.083 1.00 0.00 H new ATOM 763 N SER A 49 1.168 -4.967 -10.160 1.00 0.00 N ATOM 764 CA SER A 49 1.256 -5.704 -11.410 1.00 0.00 C ATOM 765 C SER A 49 1.443 -4.720 -12.563 1.00 0.00 C ATOM 766 O SER A 49 2.170 -4.996 -13.518 1.00 0.00 O ATOM 767 CB SER A 49 0.003 -6.560 -11.625 1.00 0.00 C ATOM 768 OG SER A 49 -0.327 -6.660 -13.000 1.00 0.00 O ATOM 0 H SER A 49 0.230 -4.922 -9.761 1.00 0.00 H new ATOM 0 HA SER A 49 2.113 -6.376 -11.370 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.167 -7.557 -11.216 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.834 -6.125 -11.079 1.00 0.00 H new ATOM 0 HG SER A 49 -1.129 -7.213 -13.105 1.00 0.00 H new ATOM 774 N ARG A 50 0.802 -3.555 -12.448 1.00 0.00 N ATOM 775 CA ARG A 50 0.919 -2.512 -13.463 1.00 0.00 C ATOM 776 C ARG A 50 2.284 -1.867 -13.376 1.00 0.00 C ATOM 777 O ARG A 50 2.988 -1.724 -14.377 1.00 0.00 O ATOM 778 CB ARG A 50 -0.147 -1.428 -13.281 1.00 0.00 C ATOM 779 CG ARG A 50 -1.566 -1.950 -13.170 1.00 0.00 C ATOM 780 CD ARG A 50 -2.438 -0.990 -12.371 1.00 0.00 C ATOM 781 NE ARG A 50 -3.300 -0.182 -13.233 1.00 0.00 N ATOM 782 CZ ARG A 50 -4.232 -0.684 -14.041 1.00 0.00 C ATOM 783 NH1 ARG A 50 -4.432 -1.995 -14.106 1.00 0.00 N ATOM 784 NH2 ARG A 50 -4.968 0.128 -14.787 1.00 0.00 N ATOM 0 H ARG A 50 0.198 -3.313 -11.663 1.00 0.00 H new ATOM 0 HA ARG A 50 0.778 -2.981 -14.437 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.086 -0.855 -12.384 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.092 -0.738 -14.123 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.987 -2.086 -14.166 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.561 -2.929 -12.690 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.054 -1.556 -11.672 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.803 -0.333 -11.776 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.180 0.831 -13.214 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.870 -2.626 -13.534 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.148 -2.371 -14.727 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.820 1.136 -14.742 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.682 -0.255 -15.406 1.00 0.00 H new ATOM 798 N THR A 51 2.652 -1.484 -12.166 1.00 0.00 N ATOM 799 CA THR A 51 3.928 -0.857 -11.930 1.00 0.00 C ATOM 800 C THR A 51 5.042 -1.864 -12.171 1.00 0.00 C ATOM 801 O THR A 51 5.254 -2.778 -11.374 1.00 0.00 O ATOM 802 CB THR A 51 3.968 -0.322 -10.501 1.00 0.00 C ATOM 803 OG1 THR A 51 2.802 0.435 -10.239 1.00 0.00 O ATOM 804 CG2 THR A 51 5.160 0.563 -10.213 1.00 0.00 C ATOM 0 H THR A 51 2.077 -1.600 -11.331 1.00 0.00 H new ATOM 0 HA THR A 51 4.070 -0.022 -12.616 1.00 0.00 H new ATOM 0 HB THR A 51 4.039 -1.201 -9.861 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.109 -0.150 -9.868 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.118 0.904 -9.179 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.079 -0.001 -10.373 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.143 1.425 -10.880 1.00 0.00 H new ATOM 812 N GLY A 52 5.742 -1.697 -13.285 1.00 0.00 N ATOM 813 CA GLY A 52 6.821 -2.606 -13.631 1.00 0.00 C ATOM 814 C GLY A 52 8.113 -2.304 -12.897 1.00 0.00 C ATOM 815 O GLY A 52 9.193 -2.371 -13.483 1.00 0.00 O ATOM 0 H GLY A 52 5.583 -0.947 -13.958 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.513 -3.627 -13.407 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.000 -2.555 -14.705 1.00 0.00 H new ATOM 819 N ALA A 53 8.007 -1.981 -11.612 1.00 0.00 N ATOM 820 CA ALA A 53 9.181 -1.677 -10.803 1.00 0.00 C ATOM 821 C ALA A 53 9.936 -0.469 -11.347 1.00 0.00 C ATOM 822 O ALA A 53 10.024 -0.272 -12.559 1.00 0.00 O ATOM 823 CB ALA A 53 10.101 -2.885 -10.736 1.00 0.00 C ATOM 0 H ALA A 53 7.121 -1.923 -11.110 1.00 0.00 H new ATOM 0 HA ALA A 53 8.839 -1.432 -9.797 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.974 -2.644 -10.129 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.568 -3.724 -10.289 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.422 -3.154 -11.742 1.00 0.00 H new ATOM 829 N GLY A 54 10.477 0.341 -10.444 1.00 0.00 N ATOM 830 CA GLY A 54 11.213 1.521 -10.852 1.00 0.00 C ATOM 831 C GLY A 54 10.299 2.664 -11.244 1.00 0.00 C ATOM 832 O GLY A 54 10.767 3.727 -11.655 1.00 0.00 O ATOM 0 H GLY A 54 10.418 0.200 -9.435 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.862 1.841 -10.037 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.859 1.270 -11.694 1.00 0.00 H new ATOM 836 N GLU A 55 8.991 2.449 -11.122 1.00 0.00 N ATOM 837 CA GLU A 55 8.020 3.475 -11.472 1.00 0.00 C ATOM 838 C GLU A 55 6.917 3.574 -10.423 1.00 0.00 C ATOM 839 O GLU A 55 6.775 2.698 -9.569 1.00 0.00 O ATOM 840 CB GLU A 55 7.408 3.183 -12.843 1.00 0.00 C ATOM 841 CG GLU A 55 8.435 2.873 -13.919 1.00 0.00 C ATOM 842 CD GLU A 55 8.967 4.122 -14.595 1.00 0.00 C ATOM 843 OE1 GLU A 55 8.829 5.217 -14.012 1.00 0.00 O ATOM 844 OE2 GLU A 55 9.519 4.004 -15.710 1.00 0.00 O ATOM 0 H GLU A 55 8.584 1.577 -10.785 1.00 0.00 H new ATOM 0 HA GLU A 55 8.544 4.430 -11.509 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.724 2.339 -12.753 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.815 4.042 -13.156 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.265 2.323 -13.476 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.985 2.222 -14.669 1.00 0.00 H new ATOM 851 N ARG A 56 6.138 4.648 -10.499 1.00 0.00 N ATOM 852 CA ARG A 56 5.040 4.873 -9.565 1.00 0.00 C ATOM 853 C ARG A 56 3.700 4.797 -10.297 1.00 0.00 C ATOM 854 O ARG A 56 3.603 5.164 -11.468 1.00 0.00 O ATOM 855 CB ARG A 56 5.211 6.236 -8.874 1.00 0.00 C ATOM 856 CG ARG A 56 3.910 6.994 -8.636 1.00 0.00 C ATOM 857 CD ARG A 56 4.160 8.332 -7.960 1.00 0.00 C ATOM 858 NE ARG A 56 4.057 9.447 -8.899 1.00 0.00 N ATOM 859 CZ ARG A 56 4.263 10.719 -8.565 1.00 0.00 C ATOM 860 NH1 ARG A 56 4.587 11.041 -7.319 1.00 0.00 N ATOM 861 NH2 ARG A 56 4.148 11.672 -9.480 1.00 0.00 N ATOM 0 H ARG A 56 6.247 5.380 -11.201 1.00 0.00 H new ATOM 0 HA ARG A 56 5.054 4.095 -8.802 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.708 6.083 -7.916 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.872 6.856 -9.480 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.402 7.155 -9.587 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.245 6.392 -8.018 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.441 8.470 -7.153 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.151 8.330 -7.507 1.00 0.00 H new ATOM 0 HE ARG A 56 3.813 9.238 -9.867 1.00 0.00 H new ATOM 0 HH11 ARG A 56 4.679 10.312 -6.611 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.744 12.017 -7.069 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.902 11.430 -10.440 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.306 12.647 -9.224 1.00 0.00 H new ATOM 875 N GLN A 57 2.671 4.320 -9.603 1.00 0.00 N ATOM 876 CA GLN A 57 1.344 4.206 -10.208 1.00 0.00 C ATOM 877 C GLN A 57 0.241 4.682 -9.273 1.00 0.00 C ATOM 878 O GLN A 57 -0.040 4.058 -8.252 1.00 0.00 O ATOM 879 CB GLN A 57 1.046 2.761 -10.625 1.00 0.00 C ATOM 880 CG GLN A 57 1.787 2.325 -11.879 1.00 0.00 C ATOM 881 CD GLN A 57 1.442 3.176 -13.085 1.00 0.00 C ATOM 882 OE1 GLN A 57 0.296 3.201 -13.535 1.00 0.00 O ATOM 883 NE2 GLN A 57 2.436 3.879 -13.617 1.00 0.00 N ATOM 0 H GLN A 57 2.726 4.009 -8.633 1.00 0.00 H new ATOM 0 HA GLN A 57 1.358 4.849 -11.088 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.311 2.093 -9.805 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.026 2.653 -10.790 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.861 2.376 -11.698 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.549 1.283 -12.094 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.371 3.828 -13.211 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.265 4.469 -14.431 1.00 0.00 H new ATOM 892 N SER A 58 -0.417 5.764 -9.656 1.00 0.00 N ATOM 893 CA SER A 58 -1.522 6.283 -8.883 1.00 0.00 C ATOM 894 C SER A 58 -2.812 5.996 -9.639 1.00 0.00 C ATOM 895 O SER A 58 -3.138 6.669 -10.617 1.00 0.00 O ATOM 896 CB SER A 58 -1.363 7.785 -8.640 1.00 0.00 C ATOM 897 OG SER A 58 -2.564 8.353 -8.146 1.00 0.00 O ATOM 0 H SER A 58 -0.201 6.297 -10.499 1.00 0.00 H new ATOM 0 HA SER A 58 -1.546 5.798 -7.907 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.556 7.958 -7.928 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.079 8.279 -9.569 1.00 0.00 H new ATOM 0 HG SER A 58 -2.435 9.313 -7.998 1.00 0.00 H new ATOM 903 N ILE A 59 -3.522 4.974 -9.192 1.00 0.00 N ATOM 904 CA ILE A 59 -4.767 4.561 -9.836 1.00 0.00 C ATOM 905 C ILE A 59 -5.952 5.352 -9.304 1.00 0.00 C ATOM 906 O ILE A 59 -6.372 5.175 -8.161 1.00 0.00 O ATOM 907 CB ILE A 59 -5.038 3.044 -9.657 1.00 0.00 C ATOM 908 CG1 ILE A 59 -4.157 2.463 -8.553 1.00 0.00 C ATOM 909 CG2 ILE A 59 -4.799 2.301 -10.962 1.00 0.00 C ATOM 910 CD1 ILE A 59 -4.550 1.074 -8.119 1.00 0.00 C ATOM 0 H ILE A 59 -3.260 4.410 -8.383 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.647 4.767 -10.900 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.082 2.919 -9.369 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.124 2.445 -8.899 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.192 3.126 -7.688 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.994 1.238 -10.817 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.467 2.691 -11.730 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.764 2.440 -11.276 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.876 0.734 -7.333 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.572 1.087 -7.740 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.487 0.395 -8.970 1.00 0.00 H new ATOM 922 N GLU A 60 -6.486 6.228 -10.148 1.00 0.00 N ATOM 923 CA GLU A 60 -7.626 7.051 -9.772 1.00 0.00 C ATOM 924 C GLU A 60 -8.929 6.405 -10.224 1.00 0.00 C ATOM 925 O GLU A 60 -9.237 6.370 -11.417 1.00 0.00 O ATOM 926 CB GLU A 60 -7.497 8.447 -10.383 1.00 0.00 C ATOM 927 CG GLU A 60 -6.123 9.070 -10.197 1.00 0.00 C ATOM 928 CD GLU A 60 -5.770 10.043 -11.306 1.00 0.00 C ATOM 929 OE1 GLU A 60 -5.386 9.581 -12.400 1.00 0.00 O ATOM 930 OE2 GLU A 60 -5.876 11.267 -11.079 1.00 0.00 O ATOM 0 H GLU A 60 -6.147 6.385 -11.097 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.640 7.138 -8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.719 8.390 -11.449 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.246 9.100 -9.936 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.090 9.589 -9.239 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.372 8.281 -10.158 1.00 0.00 H new ATOM 937 N GLU A 61 -9.693 5.899 -9.265 1.00 0.00 N ATOM 938 CA GLU A 61 -10.966 5.257 -9.560 1.00 0.00 C ATOM 939 C GLU A 61 -12.122 6.172 -9.181 1.00 0.00 C ATOM 940 O GLU A 61 -11.920 7.219 -8.566 1.00 0.00 O ATOM 941 CB GLU A 61 -11.081 3.931 -8.805 1.00 0.00 C ATOM 942 CG GLU A 61 -10.666 2.723 -9.628 1.00 0.00 C ATOM 943 CD GLU A 61 -11.809 2.156 -10.446 1.00 0.00 C ATOM 944 OE1 GLU A 61 -12.941 2.091 -9.921 1.00 0.00 O ATOM 945 OE2 GLU A 61 -11.573 1.776 -11.612 1.00 0.00 O ATOM 0 H GLU A 61 -9.452 5.921 -8.274 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.011 5.058 -10.631 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.463 3.979 -7.908 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.111 3.799 -8.475 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.851 3.005 -10.295 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.281 1.950 -8.963 1.00 0.00 H new ATOM 952 N GLY A 62 -13.335 5.773 -9.544 1.00 0.00 N ATOM 953 CA GLY A 62 -14.500 6.574 -9.223 1.00 0.00 C ATOM 954 C GLY A 62 -14.921 6.420 -7.775 1.00 0.00 C ATOM 955 O GLY A 62 -16.074 6.101 -7.487 1.00 0.00 O ATOM 0 H GLY A 62 -13.532 4.912 -10.053 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.285 7.623 -9.427 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.327 6.286 -9.872 1.00 0.00 H new ATOM 959 N ASN A 63 -13.981 6.647 -6.859 1.00 0.00 N ATOM 960 CA ASN A 63 -14.260 6.530 -5.432 1.00 0.00 C ATOM 961 C ASN A 63 -13.004 6.784 -4.602 1.00 0.00 C ATOM 962 O ASN A 63 -13.078 7.352 -3.512 1.00 0.00 O ATOM 963 CB ASN A 63 -14.826 5.144 -5.108 1.00 0.00 C ATOM 964 CG ASN A 63 -16.020 5.212 -4.177 1.00 0.00 C ATOM 965 OD1 ASN A 63 -16.078 4.506 -3.171 1.00 0.00 O ATOM 966 ND2 ASN A 63 -16.982 6.066 -4.508 1.00 0.00 N ATOM 0 H ASN A 63 -13.021 6.913 -7.081 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.001 7.287 -5.175 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -15.118 4.648 -6.034 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.047 4.534 -4.651 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -17.810 6.155 -3.919 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.893 6.632 -5.352 1.00 0.00 H new ATOM 973 N TYR A 64 -11.852 6.356 -5.112 1.00 0.00 N ATOM 974 CA TYR A 64 -10.594 6.544 -4.394 1.00 0.00 C ATOM 975 C TYR A 64 -9.381 6.466 -5.323 1.00 0.00 C ATOM 976 O TYR A 64 -9.512 6.282 -6.533 1.00 0.00 O ATOM 977 CB TYR A 64 -10.457 5.503 -3.277 1.00 0.00 C ATOM 978 CG TYR A 64 -11.045 4.151 -3.618 1.00 0.00 C ATOM 979 CD1 TYR A 64 -10.630 3.457 -4.748 1.00 0.00 C ATOM 980 CD2 TYR A 64 -12.013 3.568 -2.808 1.00 0.00 C ATOM 981 CE1 TYR A 64 -11.165 2.220 -5.061 1.00 0.00 C ATOM 982 CE2 TYR A 64 -12.552 2.334 -3.115 1.00 0.00 C ATOM 983 CZ TYR A 64 -12.125 1.664 -4.242 1.00 0.00 C ATOM 984 OH TYR A 64 -12.658 0.434 -4.551 1.00 0.00 O ATOM 0 H TYR A 64 -11.763 5.881 -6.010 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.618 7.545 -3.963 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.401 5.378 -3.039 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -10.944 5.883 -2.379 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.878 3.890 -5.392 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -12.349 4.089 -1.924 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -10.832 1.692 -5.943 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -13.304 1.896 -2.476 1.00 0.00 H new ATOM 0 HH TYR A 64 -11.952 -0.151 -4.897 1.00 0.00 H new ATOM 994 N ILE A 65 -8.202 6.614 -4.726 1.00 0.00 N ATOM 995 CA ILE A 65 -6.934 6.574 -5.452 1.00 0.00 C ATOM 996 C ILE A 65 -6.065 5.416 -4.971 1.00 0.00 C ATOM 997 O ILE A 65 -6.171 4.980 -3.825 1.00 0.00 O ATOM 998 CB ILE A 65 -6.127 7.884 -5.252 1.00 0.00 C ATOM 999 CG1 ILE A 65 -6.564 8.959 -6.244 1.00 0.00 C ATOM 1000 CG2 ILE A 65 -4.621 7.637 -5.382 1.00 0.00 C ATOM 1001 CD1 ILE A 65 -5.673 10.182 -6.208 1.00 0.00 C ATOM 0 H ILE A 65 -8.097 6.765 -3.723 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.183 6.448 -6.506 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.334 8.237 -4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.561 8.542 -7.251 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.590 9.255 -6.025 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.085 8.575 -5.237 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.304 6.917 -4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.401 7.243 -6.374 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.030 10.914 -6.933 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.696 10.619 -5.210 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.651 9.895 -6.455 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.176 4.958 -5.844 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.260 3.896 -5.490 1.00 0.00 C ATOM 1015 C GLY A 66 -2.836 4.251 -5.856 1.00 0.00 C ATOM 1016 O GLY A 66 -2.361 3.927 -6.944 1.00 0.00 O ATOM 0 H GLY A 66 -5.075 5.308 -6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.324 3.700 -4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.550 2.978 -6.000 1.00 0.00 H new ATOM 1020 N HIS A 67 -2.153 4.934 -4.945 1.00 0.00 N ATOM 1021 CA HIS A 67 -0.780 5.350 -5.180 1.00 0.00 C ATOM 1022 C HIS A 67 0.164 4.152 -5.164 1.00 0.00 C ATOM 1023 O HIS A 67 -0.007 3.233 -4.372 1.00 0.00 O ATOM 1024 CB HIS A 67 -0.336 6.367 -4.129 1.00 0.00 C ATOM 1025 CG HIS A 67 -1.234 7.556 -4.032 1.00 0.00 C ATOM 1026 ND1 HIS A 67 -1.095 8.670 -4.831 1.00 0.00 N ATOM 1027 CD2 HIS A 67 -2.288 7.805 -3.223 1.00 0.00 C ATOM 1028 CE1 HIS A 67 -2.024 9.553 -4.517 1.00 0.00 C ATOM 1029 NE2 HIS A 67 -2.761 9.052 -3.544 1.00 0.00 N ATOM 0 H HIS A 67 -2.529 5.210 -4.038 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.740 5.815 -6.165 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.290 5.876 -3.157 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.674 6.703 -4.364 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.684 7.145 -2.465 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.158 10.521 -4.978 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -3.554 9.517 -3.102 1.00 0.00 H new ATOM 1038 N VAL A 68 1.161 4.169 -6.037 1.00 0.00 N ATOM 1039 CA VAL A 68 2.132 3.082 -6.111 1.00 0.00 C ATOM 1040 C VAL A 68 3.555 3.636 -6.162 1.00 0.00 C ATOM 1041 O VAL A 68 3.810 4.662 -6.792 1.00 0.00 O ATOM 1042 CB VAL A 68 1.879 2.196 -7.355 1.00 0.00 C ATOM 1043 CG1 VAL A 68 3.142 1.521 -7.836 1.00 0.00 C ATOM 1044 CG2 VAL A 68 0.835 1.140 -7.090 1.00 0.00 C ATOM 0 H VAL A 68 1.320 4.923 -6.705 1.00 0.00 H new ATOM 0 HA VAL A 68 2.015 2.472 -5.215 1.00 0.00 H new ATOM 0 HB VAL A 68 1.518 2.871 -8.131 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.918 0.910 -8.710 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.880 2.278 -8.102 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.541 0.888 -7.043 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.688 0.540 -7.988 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.167 0.497 -6.275 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.105 1.619 -6.815 1.00 0.00 H new ATOM 1054 N TYR A 69 4.479 2.936 -5.513 1.00 0.00 N ATOM 1055 CA TYR A 69 5.878 3.342 -5.500 1.00 0.00 C ATOM 1056 C TYR A 69 6.783 2.118 -5.442 1.00 0.00 C ATOM 1057 O TYR A 69 6.820 1.402 -4.440 1.00 0.00 O ATOM 1058 CB TYR A 69 6.163 4.271 -4.317 1.00 0.00 C ATOM 1059 CG TYR A 69 6.326 5.721 -4.713 1.00 0.00 C ATOM 1060 CD1 TYR A 69 7.499 6.170 -5.307 1.00 0.00 C ATOM 1061 CD2 TYR A 69 5.308 6.640 -4.494 1.00 0.00 C ATOM 1062 CE1 TYR A 69 7.653 7.494 -5.672 1.00 0.00 C ATOM 1063 CE2 TYR A 69 5.454 7.966 -4.856 1.00 0.00 C ATOM 1064 CZ TYR A 69 6.628 8.387 -5.444 1.00 0.00 C ATOM 1065 OH TYR A 69 6.777 9.706 -5.806 1.00 0.00 O ATOM 0 H TYR A 69 4.283 2.083 -4.988 1.00 0.00 H new ATOM 0 HA TYR A 69 6.085 3.888 -6.421 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.349 4.189 -3.597 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.070 3.936 -3.813 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.304 5.473 -5.486 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.387 6.313 -4.033 1.00 0.00 H new ATOM 0 HE1 TYR A 69 8.571 7.827 -6.133 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.653 8.668 -4.679 1.00 0.00 H new ATOM 0 HH TYR A 69 6.967 10.244 -5.009 1.00 0.00 H new ATOM 1075 N ALA A 70 7.499 1.875 -6.530 1.00 0.00 N ATOM 1076 CA ALA A 70 8.396 0.731 -6.608 1.00 0.00 C ATOM 1077 C ALA A 70 9.813 1.099 -6.185 1.00 0.00 C ATOM 1078 O ALA A 70 10.283 2.206 -6.441 1.00 0.00 O ATOM 1079 CB ALA A 70 8.399 0.160 -8.015 1.00 0.00 C ATOM 0 H ALA A 70 7.477 2.453 -7.370 1.00 0.00 H new ATOM 0 HA ALA A 70 8.029 -0.026 -5.915 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.074 -0.695 -8.059 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.391 -0.159 -8.280 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.734 0.924 -8.717 1.00 0.00 H new ATOM 1085 N ARG A 71 10.491 0.152 -5.542 1.00 0.00 N ATOM 1086 CA ARG A 71 11.860 0.363 -5.088 1.00 0.00 C ATOM 1087 C ARG A 71 12.819 0.379 -6.274 1.00 0.00 C ATOM 1088 O ARG A 71 12.396 0.257 -7.424 1.00 0.00 O ATOM 1089 CB ARG A 71 12.265 -0.733 -4.101 1.00 0.00 C ATOM 1090 CG ARG A 71 13.259 -0.269 -3.046 1.00 0.00 C ATOM 1091 CD ARG A 71 14.580 -1.016 -3.148 1.00 0.00 C ATOM 1092 NE ARG A 71 15.725 -0.108 -3.145 1.00 0.00 N ATOM 1093 CZ ARG A 71 16.940 -0.443 -3.576 1.00 0.00 C ATOM 1094 NH1 ARG A 71 17.172 -1.664 -4.042 1.00 0.00 N ATOM 1095 NH2 ARG A 71 17.924 0.443 -3.540 1.00 0.00 N ATOM 0 H ARG A 71 10.113 -0.770 -5.324 1.00 0.00 H new ATOM 0 HA ARG A 71 11.912 1.328 -4.585 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.371 -1.111 -3.604 1.00 0.00 H new ATOM 0 HB3 ARG A 71 12.698 -1.566 -4.654 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.436 0.800 -3.159 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.833 -0.418 -2.054 1.00 0.00 H new ATOM 0 HD2 ARG A 71 14.668 -1.713 -2.314 1.00 0.00 H new ATOM 0 HD3 ARG A 71 14.591 -1.610 -4.062 1.00 0.00 H new ATOM 0 HE ARG A 71 15.585 0.839 -2.792 1.00 0.00 H new ATOM 0 HH11 ARG A 71 16.418 -2.350 -4.071 1.00 0.00 H new ATOM 0 HH12 ARG A 71 18.104 -1.916 -4.371 1.00 0.00 H new ATOM 0 HH21 ARG A 71 17.752 1.382 -3.182 1.00 0.00 H new ATOM 0 HH22 ARG A 71 18.854 0.186 -3.870 1.00 0.00 H new ATOM 1109 N SER A 72 14.109 0.531 -5.990 1.00 0.00 N ATOM 1110 CA SER A 72 15.129 0.562 -7.036 1.00 0.00 C ATOM 1111 C SER A 72 14.903 -0.548 -8.061 1.00 0.00 C ATOM 1112 O SER A 72 14.881 -0.297 -9.266 1.00 0.00 O ATOM 1113 CB SER A 72 16.523 0.425 -6.421 1.00 0.00 C ATOM 1114 OG SER A 72 17.531 0.725 -7.371 1.00 0.00 O ATOM 0 H SER A 72 14.474 0.635 -5.043 1.00 0.00 H new ATOM 0 HA SER A 72 15.054 1.521 -7.548 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.614 1.095 -5.566 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.661 -0.590 -6.048 1.00 0.00 H new ATOM 0 HG SER A 72 18.413 0.632 -6.953 1.00 0.00 H new ATOM 1120 N GLU A 73 14.732 -1.774 -7.573 1.00 0.00 N ATOM 1121 CA GLU A 73 14.504 -2.923 -8.445 1.00 0.00 C ATOM 1122 C GLU A 73 14.354 -4.205 -7.632 1.00 0.00 C ATOM 1123 O GLU A 73 15.338 -4.888 -7.348 1.00 0.00 O ATOM 1124 CB GLU A 73 15.658 -3.074 -9.440 1.00 0.00 C ATOM 1125 CG GLU A 73 15.491 -4.248 -10.393 1.00 0.00 C ATOM 1126 CD GLU A 73 16.770 -5.041 -10.570 1.00 0.00 C ATOM 1127 OE1 GLU A 73 17.384 -5.414 -9.549 1.00 0.00 O ATOM 1128 OE2 GLU A 73 17.158 -5.289 -11.732 1.00 0.00 O ATOM 0 H GLU A 73 14.747 -1.997 -6.578 1.00 0.00 H new ATOM 0 HA GLU A 73 13.578 -2.749 -8.993 1.00 0.00 H new ATOM 0 HB2 GLU A 73 15.749 -2.156 -10.020 1.00 0.00 H new ATOM 0 HB3 GLU A 73 16.590 -3.195 -8.887 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.708 -4.907 -10.018 1.00 0.00 H new ATOM 0 HG3 GLU A 73 15.159 -3.879 -11.364 1.00 0.00 H new ATOM 1135 N GLY A 74 13.117 -4.531 -7.263 1.00 0.00 N ATOM 1136 CA GLY A 74 12.874 -5.735 -6.490 1.00 0.00 C ATOM 1137 C GLY A 74 11.420 -5.896 -6.091 1.00 0.00 C ATOM 1138 O GLY A 74 10.603 -6.369 -6.881 1.00 0.00 O ATOM 0 H GLY A 74 12.284 -3.986 -7.485 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.184 -6.603 -7.072 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.492 -5.715 -5.592 1.00 0.00 H new ATOM 1142 N ILE A 75 11.092 -5.510 -4.860 1.00 0.00 N ATOM 1143 CA ILE A 75 9.723 -5.628 -4.369 1.00 0.00 C ATOM 1144 C ILE A 75 9.067 -4.249 -4.256 1.00 0.00 C ATOM 1145 O ILE A 75 9.567 -3.360 -3.568 1.00 0.00 O ATOM 1146 CB ILE A 75 9.655 -6.418 -3.022 1.00 0.00 C ATOM 1147 CG1 ILE A 75 9.403 -5.517 -1.804 1.00 0.00 C ATOM 1148 CG2 ILE A 75 10.921 -7.236 -2.804 1.00 0.00 C ATOM 1149 CD1 ILE A 75 10.545 -4.582 -1.462 1.00 0.00 C ATOM 0 H ILE A 75 11.751 -5.116 -4.189 1.00 0.00 H new ATOM 0 HA ILE A 75 9.156 -6.207 -5.098 1.00 0.00 H new ATOM 0 HB ILE A 75 8.799 -7.087 -3.112 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.508 -4.923 -1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.196 -6.147 -0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.847 -7.776 -1.860 1.00 0.00 H new ATOM 0 HG22 ILE A 75 11.039 -7.948 -3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.784 -6.570 -2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.278 -3.985 -0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.439 -5.165 -1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.740 -3.922 -2.307 1.00 0.00 H new ATOM 1161 N CYS A 76 7.962 -4.073 -4.978 1.00 0.00 N ATOM 1162 CA CYS A 76 7.246 -2.799 -5.001 1.00 0.00 C ATOM 1163 C CYS A 76 6.194 -2.706 -3.902 1.00 0.00 C ATOM 1164 O CYS A 76 5.574 -3.700 -3.532 1.00 0.00 O ATOM 1165 CB CYS A 76 6.582 -2.602 -6.368 1.00 0.00 C ATOM 1166 SG CYS A 76 5.624 -1.075 -6.515 1.00 0.00 S ATOM 0 H CYS A 76 7.542 -4.800 -5.557 1.00 0.00 H new ATOM 0 HA CYS A 76 7.978 -2.011 -4.822 1.00 0.00 H new ATOM 0 HB2 CYS A 76 7.353 -2.609 -7.138 1.00 0.00 H new ATOM 0 HB3 CYS A 76 5.926 -3.450 -6.566 1.00 0.00 H new ATOM 0 HG CYS A 76 5.106 -1.001 -7.705 1.00 0.00 H new ATOM 1172 N GLY A 77 5.981 -1.490 -3.406 1.00 0.00 N ATOM 1173 CA GLY A 77 4.984 -1.269 -2.377 1.00 0.00 C ATOM 1174 C GLY A 77 3.775 -0.557 -2.942 1.00 0.00 C ATOM 1175 O GLY A 77 3.920 0.296 -3.818 1.00 0.00 O ATOM 0 H GLY A 77 6.484 -0.653 -3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.681 -2.224 -1.947 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.414 -0.678 -1.569 1.00 0.00 H new ATOM 1179 N VAL A 78 2.576 -0.903 -2.474 1.00 0.00 N ATOM 1180 CA VAL A 78 1.380 -0.265 -3.000 1.00 0.00 C ATOM 1181 C VAL A 78 0.662 0.593 -1.960 1.00 0.00 C ATOM 1182 O VAL A 78 0.712 0.328 -0.754 1.00 0.00 O ATOM 1183 CB VAL A 78 0.398 -1.296 -3.603 1.00 0.00 C ATOM 1184 CG1 VAL A 78 -1.018 -0.741 -3.709 1.00 0.00 C ATOM 1185 CG2 VAL A 78 0.898 -1.768 -4.960 1.00 0.00 C ATOM 0 H VAL A 78 2.413 -1.603 -1.751 1.00 0.00 H new ATOM 0 HA VAL A 78 1.724 0.397 -3.795 1.00 0.00 H new ATOM 0 HB VAL A 78 0.357 -2.149 -2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.674 -1.498 -4.138 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.377 -0.469 -2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.016 0.141 -4.349 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.198 -2.494 -5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.978 -0.916 -5.635 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.877 -2.233 -4.845 1.00 0.00 H new ATOM 1195 N LEU A 79 -0.010 1.625 -2.465 1.00 0.00 N ATOM 1196 CA LEU A 79 -0.762 2.562 -1.640 1.00 0.00 C ATOM 1197 C LEU A 79 -2.134 2.840 -2.255 1.00 0.00 C ATOM 1198 O LEU A 79 -2.256 2.988 -3.470 1.00 0.00 O ATOM 1199 CB LEU A 79 0.005 3.880 -1.522 1.00 0.00 C ATOM 1200 CG LEU A 79 0.618 4.170 -0.152 1.00 0.00 C ATOM 1201 CD1 LEU A 79 1.985 4.815 -0.312 1.00 0.00 C ATOM 1202 CD2 LEU A 79 -0.307 5.069 0.652 1.00 0.00 C ATOM 0 H LEU A 79 -0.047 1.834 -3.463 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.895 2.118 -0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.803 3.882 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.671 4.696 -1.777 1.00 0.00 H new ATOM 0 HG LEU A 79 0.743 3.230 0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.410 5.016 0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.643 4.141 -0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.884 5.751 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.138 5.270 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.455 6.009 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.269 4.574 0.787 1.00 0.00 H new ATOM 1214 N ILE A 80 -3.160 2.939 -1.420 1.00 0.00 N ATOM 1215 CA ILE A 80 -4.500 3.232 -1.916 1.00 0.00 C ATOM 1216 C ILE A 80 -5.285 4.063 -0.909 1.00 0.00 C ATOM 1217 O ILE A 80 -5.549 3.627 0.211 1.00 0.00 O ATOM 1218 CB ILE A 80 -5.297 1.950 -2.280 1.00 0.00 C ATOM 1219 CG1 ILE A 80 -4.525 0.689 -1.887 1.00 0.00 C ATOM 1220 CG2 ILE A 80 -5.610 1.930 -3.770 1.00 0.00 C ATOM 1221 CD1 ILE A 80 -5.110 -0.588 -2.457 1.00 0.00 C ATOM 0 H ILE A 80 -3.093 2.823 -0.409 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.369 3.807 -2.833 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.232 1.964 -1.719 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.493 0.787 -2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.501 0.613 -0.800 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.169 1.026 -4.012 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.206 2.805 -4.028 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.679 1.944 -4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.509 -1.439 -2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.133 -0.710 -2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.109 -0.534 -3.546 1.00 0.00 H new ATOM 1233 N THR A 81 -5.646 5.274 -1.324 1.00 0.00 N ATOM 1234 CA THR A 81 -6.393 6.194 -0.477 1.00 0.00 C ATOM 1235 C THR A 81 -7.286 7.096 -1.324 1.00 0.00 C ATOM 1236 O THR A 81 -7.100 7.199 -2.530 1.00 0.00 O ATOM 1237 CB THR A 81 -5.431 7.039 0.361 1.00 0.00 C ATOM 1238 OG1 THR A 81 -6.093 8.156 0.927 1.00 0.00 O ATOM 1239 CG2 THR A 81 -4.249 7.548 -0.426 1.00 0.00 C ATOM 0 H THR A 81 -5.430 5.642 -2.251 1.00 0.00 H new ATOM 0 HA THR A 81 -7.026 5.612 0.193 1.00 0.00 H new ATOM 0 HB THR A 81 -5.067 6.371 1.141 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.678 8.382 1.786 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.606 8.140 0.225 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.685 6.704 -0.823 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.601 8.169 -1.250 1.00 0.00 H new ATOM 1247 N ASP A 82 -8.251 7.745 -0.681 1.00 0.00 N ATOM 1248 CA ASP A 82 -9.183 8.634 -1.370 1.00 0.00 C ATOM 1249 C ASP A 82 -8.454 9.669 -2.223 1.00 0.00 C ATOM 1250 O ASP A 82 -7.265 9.924 -2.033 1.00 0.00 O ATOM 1251 CB ASP A 82 -10.080 9.337 -0.350 1.00 0.00 C ATOM 1252 CG ASP A 82 -11.141 10.200 -1.006 1.00 0.00 C ATOM 1253 OD1 ASP A 82 -10.829 11.355 -1.361 1.00 0.00 O ATOM 1254 OD2 ASP A 82 -12.283 9.720 -1.160 1.00 0.00 O ATOM 0 H ASP A 82 -8.410 7.672 0.324 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.792 8.025 -2.038 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.563 8.590 0.280 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.465 9.956 0.303 1.00 0.00 H new ATOM 1259 N LYS A 83 -9.184 10.261 -3.167 1.00 0.00 N ATOM 1260 CA LYS A 83 -8.621 11.269 -4.058 1.00 0.00 C ATOM 1261 C LYS A 83 -8.129 12.485 -3.273 1.00 0.00 C ATOM 1262 O LYS A 83 -7.292 13.247 -3.756 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.660 11.699 -5.096 1.00 0.00 C ATOM 1264 CG LYS A 83 -9.194 11.515 -6.533 1.00 0.00 C ATOM 1265 CD LYS A 83 -9.246 12.820 -7.316 1.00 0.00 C ATOM 1266 CE LYS A 83 -10.099 12.686 -8.567 1.00 0.00 C ATOM 1267 NZ LYS A 83 -10.728 13.979 -8.953 1.00 0.00 N ATOM 0 H LYS A 83 -10.170 10.058 -3.333 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.767 10.826 -4.571 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.574 11.126 -4.943 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.911 12.748 -4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.175 11.129 -6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.820 10.770 -7.025 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.649 13.610 -6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.235 13.119 -7.594 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.482 12.323 -9.389 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.876 11.941 -8.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.301 13.844 -9.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.337 14.314 -8.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -9.986 14.684 -9.140 1.00 0.00 H new ATOM 1281 N GLN A 84 -8.644 12.655 -2.056 1.00 0.00 N ATOM 1282 CA GLN A 84 -8.239 13.773 -1.205 1.00 0.00 C ATOM 1283 C GLN A 84 -6.917 13.466 -0.497 1.00 0.00 C ATOM 1284 O GLN A 84 -6.539 14.141 0.461 1.00 0.00 O ATOM 1285 CB GLN A 84 -9.330 14.078 -0.175 1.00 0.00 C ATOM 1286 CG GLN A 84 -9.984 15.437 -0.367 1.00 0.00 C ATOM 1287 CD GLN A 84 -9.221 16.553 0.321 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -8.027 16.427 0.596 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -9.908 17.653 0.603 1.00 0.00 N ATOM 0 H GLN A 84 -9.339 12.036 -1.639 1.00 0.00 H new ATOM 0 HA GLN A 84 -8.095 14.649 -1.838 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.096 13.304 -0.229 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.898 14.030 0.825 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.056 15.654 -1.433 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.002 15.405 0.021 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -10.896 17.714 0.357 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -9.448 18.437 1.066 1.00 0.00 H new ATOM 1298 N TYR A 85 -6.224 12.443 -0.985 1.00 0.00 N ATOM 1299 CA TYR A 85 -4.950 12.021 -0.436 1.00 0.00 C ATOM 1300 C TYR A 85 -3.914 12.024 -1.555 1.00 0.00 C ATOM 1301 O TYR A 85 -3.584 10.978 -2.110 1.00 0.00 O ATOM 1302 CB TYR A 85 -5.105 10.622 0.154 1.00 0.00 C ATOM 1303 CG TYR A 85 -3.992 10.182 1.078 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -2.660 10.277 0.698 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -4.282 9.644 2.326 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -1.649 9.849 1.535 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -3.276 9.218 3.169 1.00 0.00 C ATOM 1308 CZ TYR A 85 -1.960 9.322 2.768 1.00 0.00 C ATOM 1309 OH TYR A 85 -0.954 8.898 3.602 1.00 0.00 O ATOM 0 H TYR A 85 -6.536 11.883 -1.778 1.00 0.00 H new ATOM 0 HA TYR A 85 -4.623 12.699 0.353 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -6.047 10.579 0.701 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.179 9.907 -0.665 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.411 10.692 -0.267 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.311 9.558 2.641 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.618 9.927 1.224 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -3.517 8.805 4.137 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.514 9.675 4.006 1.00 0.00 H new ATOM 1319 N PRO A 86 -3.417 13.215 -1.922 1.00 0.00 N ATOM 1320 CA PRO A 86 -2.444 13.387 -3.002 1.00 0.00 C ATOM 1321 C PRO A 86 -1.323 12.346 -2.991 1.00 0.00 C ATOM 1322 O PRO A 86 -1.207 11.542 -2.067 1.00 0.00 O ATOM 1323 CB PRO A 86 -1.882 14.796 -2.767 1.00 0.00 C ATOM 1324 CG PRO A 86 -2.522 15.298 -1.510 1.00 0.00 C ATOM 1325 CD PRO A 86 -3.782 14.507 -1.337 1.00 0.00 C ATOM 0 HA PRO A 86 -2.915 13.257 -3.976 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.797 14.770 -2.668 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -2.110 15.451 -3.608 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.859 15.165 -0.656 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.738 16.364 -1.582 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.064 14.414 -0.288 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.625 14.965 -1.854 1.00 0.00 H new ATOM 1333 N VAL A 87 -0.512 12.371 -4.047 1.00 0.00 N ATOM 1334 CA VAL A 87 0.602 11.436 -4.199 1.00 0.00 C ATOM 1335 C VAL A 87 1.804 11.834 -3.347 1.00 0.00 C ATOM 1336 O VAL A 87 2.614 10.986 -2.973 1.00 0.00 O ATOM 1337 CB VAL A 87 1.068 11.341 -5.667 1.00 0.00 C ATOM 1338 CG1 VAL A 87 1.863 10.064 -5.891 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -0.111 11.413 -6.627 1.00 0.00 C ATOM 0 H VAL A 87 -0.607 13.034 -4.816 1.00 0.00 H new ATOM 0 HA VAL A 87 0.224 10.469 -3.866 1.00 0.00 H new ATOM 0 HB VAL A 87 1.715 12.195 -5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.184 10.013 -6.931 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.738 10.061 -5.241 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.238 9.201 -5.661 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.250 11.343 -7.653 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.795 10.588 -6.426 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.634 12.359 -6.490 1.00 0.00 H new ATOM 1349 N ARG A 88 1.934 13.126 -3.066 1.00 0.00 N ATOM 1350 CA ARG A 88 3.063 13.624 -2.282 1.00 0.00 C ATOM 1351 C ARG A 88 3.180 12.892 -0.950 1.00 0.00 C ATOM 1352 O ARG A 88 4.237 12.349 -0.629 1.00 0.00 O ATOM 1353 CB ARG A 88 2.955 15.135 -2.061 1.00 0.00 C ATOM 1354 CG ARG A 88 2.476 15.888 -3.291 1.00 0.00 C ATOM 1355 CD ARG A 88 3.539 16.832 -3.827 1.00 0.00 C ATOM 1356 NE ARG A 88 2.991 18.145 -4.160 1.00 0.00 N ATOM 1357 CZ ARG A 88 3.588 19.014 -4.972 1.00 0.00 C ATOM 1358 NH1 ARG A 88 4.756 18.717 -5.530 1.00 0.00 N ATOM 1359 NH2 ARG A 88 3.019 20.184 -5.226 1.00 0.00 N ATOM 0 H ARG A 88 1.277 13.846 -3.367 1.00 0.00 H new ATOM 0 HA ARG A 88 3.970 13.427 -2.853 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.269 15.327 -1.236 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.929 15.522 -1.762 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.198 15.175 -4.068 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.579 16.455 -3.043 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.329 16.947 -3.085 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.997 16.395 -4.714 1.00 0.00 H new ATOM 0 HE ARG A 88 2.098 18.411 -3.745 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.200 17.819 -5.337 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.209 19.387 -6.152 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.123 20.419 -4.799 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.477 20.850 -5.848 1.00 0.00 H new ATOM 1373 N PRO A 89 2.098 12.841 -0.155 1.00 0.00 N ATOM 1374 CA PRO A 89 2.112 12.142 1.125 1.00 0.00 C ATOM 1375 C PRO A 89 2.156 10.641 0.914 1.00 0.00 C ATOM 1376 O PRO A 89 2.734 9.906 1.714 1.00 0.00 O ATOM 1377 CB PRO A 89 0.800 12.566 1.806 1.00 0.00 C ATOM 1378 CG PRO A 89 0.228 13.646 0.944 1.00 0.00 C ATOM 1379 CD PRO A 89 0.782 13.424 -0.435 1.00 0.00 C ATOM 0 HA PRO A 89 2.987 12.388 1.727 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.112 11.725 1.888 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.983 12.928 2.818 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.861 13.602 0.937 1.00 0.00 H new ATOM 0 HG3 PRO A 89 0.505 14.631 1.320 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.156 12.751 -1.021 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.861 14.355 -0.996 1.00 0.00 H new ATOM 1387 N ALA A 90 1.577 10.193 -0.196 1.00 0.00 N ATOM 1388 CA ALA A 90 1.597 8.784 -0.532 1.00 0.00 C ATOM 1389 C ALA A 90 3.026 8.392 -0.857 1.00 0.00 C ATOM 1390 O ALA A 90 3.448 7.264 -0.610 1.00 0.00 O ATOM 1391 CB ALA A 90 0.671 8.493 -1.705 1.00 0.00 C ATOM 0 H ALA A 90 1.093 10.785 -0.870 1.00 0.00 H new ATOM 0 HA ALA A 90 1.238 8.197 0.313 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.703 7.429 -1.939 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.348 8.776 -1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.994 9.065 -2.575 1.00 0.00 H new ATOM 1397 N TYR A 91 3.781 9.360 -1.378 1.00 0.00 N ATOM 1398 CA TYR A 91 5.177 9.139 -1.694 1.00 0.00 C ATOM 1399 C TYR A 91 5.955 9.019 -0.391 1.00 0.00 C ATOM 1400 O TYR A 91 6.789 8.127 -0.227 1.00 0.00 O ATOM 1401 CB TYR A 91 5.728 10.286 -2.549 1.00 0.00 C ATOM 1402 CG TYR A 91 7.236 10.283 -2.683 1.00 0.00 C ATOM 1403 CD1 TYR A 91 7.937 9.095 -2.847 1.00 0.00 C ATOM 1404 CD2 TYR A 91 7.957 11.470 -2.641 1.00 0.00 C ATOM 1405 CE1 TYR A 91 9.314 9.090 -2.968 1.00 0.00 C ATOM 1406 CE2 TYR A 91 9.334 11.473 -2.761 1.00 0.00 C ATOM 1407 CZ TYR A 91 10.007 10.282 -2.925 1.00 0.00 C ATOM 1408 OH TYR A 91 11.378 10.280 -3.044 1.00 0.00 O ATOM 0 H TYR A 91 3.443 10.299 -1.587 1.00 0.00 H new ATOM 0 HA TYR A 91 5.281 8.220 -2.271 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.285 10.230 -3.543 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.414 11.234 -2.113 1.00 0.00 H new ATOM 0 HD1 TYR A 91 7.397 8.160 -2.881 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.433 12.406 -2.512 1.00 0.00 H new ATOM 0 HE1 TYR A 91 9.844 8.158 -3.096 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.880 12.404 -2.726 1.00 0.00 H new ATOM 0 HH TYR A 91 11.712 11.200 -2.995 1.00 0.00 H new ATOM 1418 N THR A 92 5.647 9.910 0.552 1.00 0.00 N ATOM 1419 CA THR A 92 6.291 9.885 1.854 1.00 0.00 C ATOM 1420 C THR A 92 5.951 8.581 2.556 1.00 0.00 C ATOM 1421 O THR A 92 6.807 7.941 3.170 1.00 0.00 O ATOM 1422 CB THR A 92 5.825 11.064 2.702 1.00 0.00 C ATOM 1423 OG1 THR A 92 5.902 12.274 1.969 1.00 0.00 O ATOM 1424 CG2 THR A 92 6.628 11.241 3.971 1.00 0.00 C ATOM 0 H THR A 92 4.958 10.653 0.434 1.00 0.00 H new ATOM 0 HA THR A 92 7.370 9.960 1.719 1.00 0.00 H new ATOM 0 HB THR A 92 4.794 10.835 2.973 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.597 13.017 2.531 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.245 12.096 4.528 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.544 10.343 4.583 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.675 11.411 3.719 1.00 0.00 H new ATOM 1432 N LEU A 93 4.686 8.189 2.443 1.00 0.00 N ATOM 1433 CA LEU A 93 4.211 6.958 3.046 1.00 0.00 C ATOM 1434 C LEU A 93 4.926 5.772 2.440 1.00 0.00 C ATOM 1435 O LEU A 93 5.531 4.968 3.149 1.00 0.00 O ATOM 1436 CB LEU A 93 2.700 6.807 2.855 1.00 0.00 C ATOM 1437 CG LEU A 93 2.071 5.570 3.512 1.00 0.00 C ATOM 1438 CD1 LEU A 93 2.282 4.329 2.653 1.00 0.00 C ATOM 1439 CD2 LEU A 93 2.641 5.350 4.906 1.00 0.00 C ATOM 0 H LEU A 93 3.972 8.712 1.936 1.00 0.00 H new ATOM 0 HA LEU A 93 4.423 6.997 4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.211 7.696 3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.488 6.777 1.786 1.00 0.00 H new ATOM 0 HG LEU A 93 0.999 5.748 3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.827 3.467 3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.820 4.479 1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.350 4.152 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.181 4.468 5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.719 5.202 4.839 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.432 6.222 5.526 1.00 0.00 H new ATOM 1451 N LEU A 94 4.866 5.671 1.120 1.00 0.00 N ATOM 1452 CA LEU A 94 5.527 4.586 0.431 1.00 0.00 C ATOM 1453 C LEU A 94 7.043 4.724 0.555 1.00 0.00 C ATOM 1454 O LEU A 94 7.793 3.813 0.194 1.00 0.00 O ATOM 1455 CB LEU A 94 5.104 4.523 -1.037 1.00 0.00 C ATOM 1456 CG LEU A 94 4.542 3.166 -1.471 1.00 0.00 C ATOM 1457 CD1 LEU A 94 3.405 3.341 -2.466 1.00 0.00 C ATOM 1458 CD2 LEU A 94 5.643 2.294 -2.056 1.00 0.00 C ATOM 0 H LEU A 94 4.369 6.324 0.514 1.00 0.00 H new ATOM 0 HA LEU A 94 5.225 3.650 0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.352 5.290 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.964 4.764 -1.662 1.00 0.00 H new ATOM 0 HG LEU A 94 4.141 2.666 -0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.024 2.363 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.604 3.920 -2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.771 3.866 -3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.225 1.334 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.078 2.790 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.417 2.132 -1.305 1.00 0.00 H new ATOM 1470 N ASN A 95 7.489 5.860 1.092 1.00 0.00 N ATOM 1471 CA ASN A 95 8.913 6.098 1.282 1.00 0.00 C ATOM 1472 C ASN A 95 9.421 5.311 2.484 1.00 0.00 C ATOM 1473 O ASN A 95 10.397 4.567 2.388 1.00 0.00 O ATOM 1474 CB ASN A 95 9.184 7.592 1.476 1.00 0.00 C ATOM 1475 CG ASN A 95 10.081 8.164 0.394 1.00 0.00 C ATOM 1476 OD1 ASN A 95 10.717 7.424 -0.356 1.00 0.00 O ATOM 1477 ND2 ASN A 95 10.135 9.488 0.309 1.00 0.00 N ATOM 0 H ASN A 95 6.886 6.623 1.400 1.00 0.00 H new ATOM 0 HA ASN A 95 9.444 5.762 0.391 1.00 0.00 H new ATOM 0 HB2 ASN A 95 8.237 8.132 1.482 1.00 0.00 H new ATOM 0 HB3 ASN A 95 9.648 7.751 2.450 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.721 9.930 -0.399 1.00 0.00 H new ATOM 0 HD22 ASN A 95 9.591 10.063 0.952 1.00 0.00 H new ATOM 1484 N LYS A 96 8.744 5.482 3.614 1.00 0.00 N ATOM 1485 CA LYS A 96 9.117 4.789 4.839 1.00 0.00 C ATOM 1486 C LYS A 96 8.817 3.296 4.739 1.00 0.00 C ATOM 1487 O LYS A 96 9.555 2.473 5.279 1.00 0.00 O ATOM 1488 CB LYS A 96 8.378 5.391 6.036 1.00 0.00 C ATOM 1489 CG LYS A 96 8.630 6.879 6.220 1.00 0.00 C ATOM 1490 CD LYS A 96 10.054 7.150 6.678 1.00 0.00 C ATOM 1491 CE LYS A 96 10.937 7.594 5.522 1.00 0.00 C ATOM 1492 NZ LYS A 96 12.373 7.293 5.772 1.00 0.00 N ATOM 0 H LYS A 96 7.934 6.095 3.706 1.00 0.00 H new ATOM 0 HA LYS A 96 10.190 4.914 4.982 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.308 5.225 5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.680 4.865 6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.443 7.400 5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.929 7.280 6.952 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.049 7.920 7.450 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.470 6.249 7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.616 7.095 4.608 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.813 8.665 5.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.941 7.611 4.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.687 7.789 6.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.496 6.268 5.900 1.00 0.00 H new ATOM 1506 N ILE A 97 7.731 2.951 4.052 1.00 0.00 N ATOM 1507 CA ILE A 97 7.338 1.562 3.891 1.00 0.00 C ATOM 1508 C ILE A 97 8.387 0.771 3.120 1.00 0.00 C ATOM 1509 O ILE A 97 8.876 -0.246 3.597 1.00 0.00 O ATOM 1510 CB ILE A 97 5.975 1.471 3.186 1.00 0.00 C ATOM 1511 CG1 ILE A 97 5.329 0.119 3.398 1.00 0.00 C ATOM 1512 CG2 ILE A 97 6.084 1.753 1.702 1.00 0.00 C ATOM 1513 CD1 ILE A 97 3.987 0.028 2.724 1.00 0.00 C ATOM 0 H ILE A 97 7.109 3.620 3.598 1.00 0.00 H new ATOM 0 HA ILE A 97 7.254 1.122 4.885 1.00 0.00 H new ATOM 0 HB ILE A 97 5.346 2.238 3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.984 -0.661 3.010 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.212 -0.064 4.466 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.098 1.678 1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.479 2.758 1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.754 1.027 1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.557 -0.958 2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.323 0.791 3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.107 0.185 1.652 1.00 0.00 H new ATOM 1525 N LEU A 98 8.735 1.242 1.930 1.00 0.00 N ATOM 1526 CA LEU A 98 9.736 0.563 1.117 1.00 0.00 C ATOM 1527 C LEU A 98 11.066 0.505 1.861 1.00 0.00 C ATOM 1528 O LEU A 98 11.746 -0.524 1.868 1.00 0.00 O ATOM 1529 CB LEU A 98 9.899 1.265 -0.235 1.00 0.00 C ATOM 1530 CG LEU A 98 9.462 0.441 -1.450 1.00 0.00 C ATOM 1531 CD1 LEU A 98 8.136 -0.260 -1.183 1.00 0.00 C ATOM 1532 CD2 LEU A 98 9.356 1.325 -2.683 1.00 0.00 C ATOM 0 H LEU A 98 8.343 2.084 1.509 1.00 0.00 H new ATOM 0 HA LEU A 98 9.400 -0.457 0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.325 2.191 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 98 10.946 1.541 -0.360 1.00 0.00 H new ATOM 0 HG LEU A 98 10.219 -0.321 -1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.847 -0.838 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.243 -0.927 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.368 0.483 -0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.044 0.723 -3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.621 2.110 -2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.326 1.776 -2.892 1.00 0.00 H new ATOM 1544 N ASP A 99 11.414 1.605 2.522 1.00 0.00 N ATOM 1545 CA ASP A 99 12.642 1.665 3.302 1.00 0.00 C ATOM 1546 C ASP A 99 12.503 0.772 4.526 1.00 0.00 C ATOM 1547 O ASP A 99 13.484 0.242 5.047 1.00 0.00 O ATOM 1548 CB ASP A 99 12.942 3.105 3.726 1.00 0.00 C ATOM 1549 CG ASP A 99 14.405 3.464 3.558 1.00 0.00 C ATOM 1550 OD1 ASP A 99 15.003 3.059 2.539 1.00 0.00 O ATOM 1551 OD2 ASP A 99 14.954 4.148 4.447 1.00 0.00 O ATOM 0 H ASP A 99 10.864 2.464 2.532 1.00 0.00 H new ATOM 0 HA ASP A 99 13.472 1.314 2.689 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.333 3.789 3.135 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.655 3.241 4.769 1.00 0.00 H new ATOM 1556 N GLU A 100 11.259 0.603 4.962 1.00 0.00 N ATOM 1557 CA GLU A 100 10.945 -0.230 6.108 1.00 0.00 C ATOM 1558 C GLU A 100 11.021 -1.700 5.713 1.00 0.00 C ATOM 1559 O GLU A 100 11.522 -2.532 6.470 1.00 0.00 O ATOM 1560 CB GLU A 100 9.554 0.119 6.637 1.00 0.00 C ATOM 1561 CG GLU A 100 9.010 -0.879 7.647 1.00 0.00 C ATOM 1562 CD GLU A 100 9.815 -0.905 8.931 1.00 0.00 C ATOM 1563 OE1 GLU A 100 10.534 0.080 9.201 1.00 0.00 O ATOM 1564 OE2 GLU A 100 9.728 -1.912 9.666 1.00 0.00 O ATOM 0 H GLU A 100 10.445 1.040 4.530 1.00 0.00 H new ATOM 0 HA GLU A 100 11.671 -0.047 6.900 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.589 1.106 7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.863 0.184 5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.974 -0.630 7.877 1.00 0.00 H new ATOM 0 HG3 GLU A 100 9.008 -1.875 7.204 1.00 0.00 H new ATOM 1571 N TYR A 101 10.549 -2.006 4.507 1.00 0.00 N ATOM 1572 CA TYR A 101 10.596 -3.367 3.996 1.00 0.00 C ATOM 1573 C TYR A 101 12.050 -3.788 3.831 1.00 0.00 C ATOM 1574 O TYR A 101 12.388 -4.963 3.940 1.00 0.00 O ATOM 1575 CB TYR A 101 9.861 -3.478 2.659 1.00 0.00 C ATOM 1576 CG TYR A 101 9.394 -4.884 2.349 1.00 0.00 C ATOM 1577 CD1 TYR A 101 8.160 -5.342 2.795 1.00 0.00 C ATOM 1578 CD2 TYR A 101 10.191 -5.756 1.618 1.00 0.00 C ATOM 1579 CE1 TYR A 101 7.733 -6.628 2.520 1.00 0.00 C ATOM 1580 CE2 TYR A 101 9.773 -7.044 1.340 1.00 0.00 C ATOM 1581 CZ TYR A 101 8.543 -7.474 1.793 1.00 0.00 C ATOM 1582 OH TYR A 101 8.126 -8.757 1.520 1.00 0.00 O ATOM 0 H TYR A 101 10.131 -1.329 3.869 1.00 0.00 H new ATOM 0 HA TYR A 101 10.098 -4.027 4.706 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.000 -2.810 2.669 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.520 -3.137 1.860 1.00 0.00 H new ATOM 0 HD1 TYR A 101 7.524 -4.682 3.366 1.00 0.00 H new ATOM 0 HD2 TYR A 101 11.154 -5.422 1.261 1.00 0.00 H new ATOM 0 HE1 TYR A 101 6.770 -6.968 2.873 1.00 0.00 H new ATOM 0 HE2 TYR A 101 10.406 -7.710 0.772 1.00 0.00 H new ATOM 0 HH TYR A 101 8.762 -9.396 1.903 1.00 0.00 H new ATOM 1592 N LEU A 102 12.903 -2.801 3.567 1.00 0.00 N ATOM 1593 CA LEU A 102 14.330 -3.034 3.383 1.00 0.00 C ATOM 1594 C LEU A 102 14.991 -3.512 4.675 1.00 0.00 C ATOM 1595 O LEU A 102 15.908 -4.333 4.644 1.00 0.00 O ATOM 1596 CB LEU A 102 15.008 -1.746 2.910 1.00 0.00 C ATOM 1597 CG LEU A 102 15.181 -1.613 1.397 1.00 0.00 C ATOM 1598 CD1 LEU A 102 13.854 -1.816 0.680 1.00 0.00 C ATOM 1599 CD2 LEU A 102 15.770 -0.253 1.054 1.00 0.00 C ATOM 0 H LEU A 102 12.625 -1.824 3.475 1.00 0.00 H new ATOM 0 HA LEU A 102 14.447 -3.815 2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 102 14.426 -0.897 3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 102 15.990 -1.680 3.378 1.00 0.00 H new ATOM 0 HG LEU A 102 15.869 -2.388 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.002 -1.717 -0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.469 -2.811 0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.139 -1.066 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 102 15.889 -0.170 -0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.102 0.532 1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.742 -0.146 1.535 1.00 0.00 H new ATOM 1611 N VAL A 103 14.538 -2.980 5.806 1.00 0.00 N ATOM 1612 CA VAL A 103 15.109 -3.341 7.101 1.00 0.00 C ATOM 1613 C VAL A 103 14.760 -4.767 7.504 1.00 0.00 C ATOM 1614 O VAL A 103 15.637 -5.538 7.892 1.00 0.00 O ATOM 1615 CB VAL A 103 14.649 -2.381 8.215 1.00 0.00 C ATOM 1616 CG1 VAL A 103 14.833 -3.027 9.583 1.00 0.00 C ATOM 1617 CG2 VAL A 103 15.407 -1.064 8.132 1.00 0.00 C ATOM 0 H VAL A 103 13.780 -2.299 5.853 1.00 0.00 H new ATOM 0 HA VAL A 103 16.190 -3.263 6.982 1.00 0.00 H new ATOM 0 HB VAL A 103 13.588 -2.171 8.076 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.503 -2.336 10.359 1.00 0.00 H new ATOM 0 HG12 VAL A 103 14.242 -3.941 9.636 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.886 -3.266 9.734 1.00 0.00 H new ATOM 0 HG21 VAL A 103 15.069 -0.399 8.926 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.475 -1.251 8.245 1.00 0.00 H new ATOM 0 HG23 VAL A 103 15.221 -0.598 7.165 1.00 0.00 H new ATOM 1627 N ALA A 104 13.478 -5.114 7.421 1.00 0.00 N ATOM 1628 CA ALA A 104 13.023 -6.453 7.788 1.00 0.00 C ATOM 1629 C ALA A 104 13.941 -7.532 7.215 1.00 0.00 C ATOM 1630 O ALA A 104 13.966 -8.662 7.701 1.00 0.00 O ATOM 1631 CB ALA A 104 11.594 -6.666 7.317 1.00 0.00 C ATOM 0 H ALA A 104 12.737 -4.489 7.104 1.00 0.00 H new ATOM 0 HA ALA A 104 13.056 -6.535 8.874 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.264 -7.667 7.595 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.943 -5.927 7.784 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.548 -6.557 6.233 1.00 0.00 H new ATOM 1637 N HIS A 105 14.692 -7.170 6.179 1.00 0.00 N ATOM 1638 CA HIS A 105 15.609 -8.089 5.534 1.00 0.00 C ATOM 1639 C HIS A 105 16.454 -7.353 4.494 1.00 0.00 C ATOM 1640 O HIS A 105 15.920 -6.608 3.672 1.00 0.00 O ATOM 1641 CB HIS A 105 14.843 -9.237 4.869 1.00 0.00 C ATOM 1642 CG HIS A 105 13.508 -8.840 4.302 1.00 0.00 C ATOM 1643 ND1 HIS A 105 12.659 -9.737 3.689 1.00 0.00 N ATOM 1644 CD2 HIS A 105 12.878 -7.640 4.258 1.00 0.00 C ATOM 1645 CE1 HIS A 105 11.567 -9.107 3.291 1.00 0.00 C ATOM 1646 NE2 HIS A 105 11.675 -7.835 3.625 1.00 0.00 N ATOM 0 H HIS A 105 14.679 -6.236 5.769 1.00 0.00 H new ATOM 0 HA HIS A 105 16.269 -8.505 6.295 1.00 0.00 H new ATOM 0 HB2 HIS A 105 15.456 -9.653 4.069 1.00 0.00 H new ATOM 0 HB3 HIS A 105 14.693 -10.031 5.601 1.00 0.00 H new ATOM 0 HD2 HIS A 105 13.253 -6.705 4.648 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.729 -9.557 2.779 1.00 0.00 H new ATOM 0 HE2 HIS A 105 10.978 -7.113 3.443 1.00 0.00 H new ATOM 1655 N PRO A 106 17.789 -7.545 4.524 1.00 0.00 N ATOM 1656 CA PRO A 106 18.720 -6.902 3.596 1.00 0.00 C ATOM 1657 C PRO A 106 18.133 -6.666 2.206 1.00 0.00 C ATOM 1658 O PRO A 106 17.210 -7.358 1.777 1.00 0.00 O ATOM 1659 CB PRO A 106 19.864 -7.908 3.536 1.00 0.00 C ATOM 1660 CG PRO A 106 19.897 -8.532 4.895 1.00 0.00 C ATOM 1661 CD PRO A 106 18.508 -8.404 5.483 1.00 0.00 C ATOM 0 HA PRO A 106 19.005 -5.904 3.929 1.00 0.00 H new ATOM 0 HB2 PRO A 106 19.693 -8.656 2.762 1.00 0.00 H new ATOM 0 HB3 PRO A 106 20.809 -7.418 3.303 1.00 0.00 H new ATOM 0 HG2 PRO A 106 20.192 -9.579 4.830 1.00 0.00 H new ATOM 0 HG3 PRO A 106 20.630 -8.033 5.529 1.00 0.00 H new ATOM 0 HD2 PRO A 106 18.027 -9.377 5.585 1.00 0.00 H new ATOM 0 HD3 PRO A 106 18.535 -7.956 6.476 1.00 0.00 H new ATOM 1669 N LYS A 107 18.677 -5.670 1.514 1.00 0.00 N ATOM 1670 CA LYS A 107 18.218 -5.309 0.177 1.00 0.00 C ATOM 1671 C LYS A 107 18.046 -6.530 -0.727 1.00 0.00 C ATOM 1672 O LYS A 107 16.949 -6.809 -1.207 1.00 0.00 O ATOM 1673 CB LYS A 107 19.196 -4.321 -0.464 1.00 0.00 C ATOM 1674 CG LYS A 107 18.726 -2.877 -0.403 1.00 0.00 C ATOM 1675 CD LYS A 107 19.810 -1.914 -0.860 1.00 0.00 C ATOM 1676 CE LYS A 107 19.874 -0.682 0.028 1.00 0.00 C ATOM 1677 NZ LYS A 107 20.966 -0.780 1.037 1.00 0.00 N ATOM 0 H LYS A 107 19.444 -5.094 1.861 1.00 0.00 H new ATOM 0 HA LYS A 107 17.239 -4.843 0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 107 20.161 -4.402 0.035 1.00 0.00 H new ATOM 0 HB3 LYS A 107 19.352 -4.600 -1.506 1.00 0.00 H new ATOM 0 HG2 LYS A 107 17.843 -2.755 -1.030 1.00 0.00 H new ATOM 0 HG3 LYS A 107 18.429 -2.634 0.617 1.00 0.00 H new ATOM 0 HD2 LYS A 107 20.775 -2.421 -0.851 1.00 0.00 H new ATOM 0 HD3 LYS A 107 19.619 -1.612 -1.890 1.00 0.00 H new ATOM 0 HE2 LYS A 107 20.029 0.203 -0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 107 18.919 -0.552 0.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 20.976 0.080 1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 20.805 -1.610 1.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 21.880 -0.878 0.551 1.00 0.00 H new ATOM 1691 N GLU A 108 19.136 -7.242 -0.973 1.00 0.00 N ATOM 1692 CA GLU A 108 19.097 -8.415 -1.840 1.00 0.00 C ATOM 1693 C GLU A 108 18.355 -9.580 -1.189 1.00 0.00 C ATOM 1694 O GLU A 108 17.802 -10.432 -1.885 1.00 0.00 O ATOM 1695 CB GLU A 108 20.518 -8.843 -2.216 1.00 0.00 C ATOM 1696 CG GLU A 108 20.855 -8.607 -3.679 1.00 0.00 C ATOM 1697 CD GLU A 108 22.264 -8.084 -3.876 1.00 0.00 C ATOM 1698 OE1 GLU A 108 23.207 -8.903 -3.880 1.00 0.00 O ATOM 1699 OE2 GLU A 108 22.426 -6.854 -4.027 1.00 0.00 O ATOM 0 H GLU A 108 20.056 -7.031 -0.587 1.00 0.00 H new ATOM 0 HA GLU A 108 18.551 -8.137 -2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 108 21.229 -8.298 -1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 108 20.642 -9.902 -1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 108 20.737 -9.540 -4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 108 20.145 -7.896 -4.101 1.00 0.00 H new ATOM 1706 N GLU A 109 18.352 -9.627 0.142 1.00 0.00 N ATOM 1707 CA GLU A 109 17.681 -10.709 0.862 1.00 0.00 C ATOM 1708 C GLU A 109 16.290 -10.980 0.293 1.00 0.00 C ATOM 1709 O GLU A 109 15.946 -12.125 -0.002 1.00 0.00 O ATOM 1710 CB GLU A 109 17.572 -10.386 2.352 1.00 0.00 C ATOM 1711 CG GLU A 109 16.835 -11.456 3.140 1.00 0.00 C ATOM 1712 CD GLU A 109 17.263 -11.515 4.592 1.00 0.00 C ATOM 1713 OE1 GLU A 109 18.484 -11.485 4.853 1.00 0.00 O ATOM 1714 OE2 GLU A 109 16.377 -11.591 5.470 1.00 0.00 O ATOM 0 H GLU A 109 18.803 -8.935 0.740 1.00 0.00 H new ATOM 0 HA GLU A 109 18.288 -11.606 0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 109 18.573 -10.263 2.765 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.057 -9.433 2.475 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.763 -11.265 3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.008 -12.427 2.675 1.00 0.00 H new ATOM 1721 N TRP A 110 15.496 -9.926 0.129 1.00 0.00 N ATOM 1722 CA TRP A 110 14.153 -10.080 -0.419 1.00 0.00 C ATOM 1723 C TRP A 110 14.209 -10.219 -1.931 1.00 0.00 C ATOM 1724 O TRP A 110 13.678 -11.174 -2.496 1.00 0.00 O ATOM 1725 CB TRP A 110 13.238 -8.906 -0.041 1.00 0.00 C ATOM 1726 CG TRP A 110 13.929 -7.589 0.152 1.00 0.00 C ATOM 1727 CD1 TRP A 110 14.380 -7.072 1.330 1.00 0.00 C ATOM 1728 CD2 TRP A 110 14.228 -6.609 -0.855 1.00 0.00 C ATOM 1729 NE1 TRP A 110 14.934 -5.834 1.123 1.00 0.00 N ATOM 1730 CE2 TRP A 110 14.855 -5.527 -0.210 1.00 0.00 C ATOM 1731 CE3 TRP A 110 14.028 -6.540 -2.237 1.00 0.00 C ATOM 1732 CZ2 TRP A 110 15.279 -4.394 -0.899 1.00 0.00 C ATOM 1733 CZ3 TRP A 110 14.452 -5.415 -2.918 1.00 0.00 C ATOM 1734 CH2 TRP A 110 15.071 -4.355 -2.248 1.00 0.00 C ATOM 0 H TRP A 110 15.755 -8.968 0.364 1.00 0.00 H new ATOM 0 HA TRP A 110 13.732 -10.987 0.016 1.00 0.00 H new ATOM 0 HB2 TRP A 110 12.483 -8.791 -0.819 1.00 0.00 H new ATOM 0 HB3 TRP A 110 12.711 -9.159 0.879 1.00 0.00 H new ATOM 0 HD1 TRP A 110 14.311 -7.566 2.288 1.00 0.00 H new ATOM 0 HE1 TRP A 110 15.339 -5.238 1.845 1.00 0.00 H new ATOM 0 HE3 TRP A 110 13.550 -7.353 -2.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 15.756 -3.574 -0.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 14.303 -5.353 -3.986 1.00 0.00 H new ATOM 0 HH2 TRP A 110 15.391 -3.489 -2.808 1.00 0.00 H new ATOM 1745 N ALA A 111 14.857 -9.256 -2.578 1.00 0.00 N ATOM 1746 CA ALA A 111 14.991 -9.246 -4.036 1.00 0.00 C ATOM 1747 C ALA A 111 13.718 -9.743 -4.722 1.00 0.00 C ATOM 1748 O ALA A 111 13.784 -10.355 -5.785 1.00 0.00 O ATOM 1749 CB ALA A 111 16.185 -10.088 -4.462 1.00 0.00 C ATOM 0 H ALA A 111 15.302 -8.465 -2.114 1.00 0.00 H new ATOM 0 HA ALA A 111 15.154 -8.214 -4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 111 16.273 -10.072 -5.548 1.00 0.00 H new ATOM 0 HB2 ALA A 111 17.094 -9.681 -4.018 1.00 0.00 H new ATOM 0 HB3 ALA A 111 16.045 -11.115 -4.125 1.00 0.00 H new ATOM 1755 N ASP A 112 12.572 -9.471 -4.079 1.00 0.00 N ATOM 1756 CA ASP A 112 11.239 -9.870 -4.560 1.00 0.00 C ATOM 1757 C ASP A 112 10.543 -10.718 -3.514 1.00 0.00 C ATOM 1758 O ASP A 112 9.390 -10.472 -3.162 1.00 0.00 O ATOM 1759 CB ASP A 112 11.286 -10.637 -5.891 1.00 0.00 C ATOM 1760 CG ASP A 112 11.504 -9.725 -7.083 1.00 0.00 C ATOM 1761 OD1 ASP A 112 10.690 -8.797 -7.276 1.00 0.00 O ATOM 1762 OD2 ASP A 112 12.484 -9.941 -7.826 1.00 0.00 O ATOM 0 H ASP A 112 12.544 -8.960 -3.197 1.00 0.00 H new ATOM 0 HA ASP A 112 10.682 -8.950 -4.736 1.00 0.00 H new ATOM 0 HB2 ASP A 112 12.087 -11.376 -5.852 1.00 0.00 H new ATOM 0 HB3 ASP A 112 10.353 -11.185 -6.023 1.00 0.00 H new ATOM 1767 N VAL A 113 11.251 -11.715 -3.009 1.00 0.00 N ATOM 1768 CA VAL A 113 10.704 -12.598 -2.000 1.00 0.00 C ATOM 1769 C VAL A 113 9.695 -13.542 -2.606 1.00 0.00 C ATOM 1770 O VAL A 113 8.560 -13.156 -2.888 1.00 0.00 O ATOM 1771 CB VAL A 113 10.002 -11.835 -0.864 1.00 0.00 C ATOM 1772 CG1 VAL A 113 10.004 -12.662 0.402 1.00 0.00 C ATOM 1773 CG2 VAL A 113 10.651 -10.489 -0.623 1.00 0.00 C ATOM 0 H VAL A 113 12.209 -11.931 -3.285 1.00 0.00 H new ATOM 0 HA VAL A 113 11.554 -13.144 -1.591 1.00 0.00 H new ATOM 0 HB VAL A 113 8.970 -11.656 -1.164 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.504 -12.110 1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 113 9.478 -13.600 0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 113 11.032 -12.873 0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 113 10.132 -9.974 0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 113 11.696 -10.633 -0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 113 10.593 -9.889 -1.531 1.00 0.00 H new ATOM 1783 N THR A 114 10.093 -14.785 -2.778 1.00 0.00 N ATOM 1784 CA THR A 114 9.193 -15.777 -3.317 1.00 0.00 C ATOM 1785 C THR A 114 8.391 -16.402 -2.186 1.00 0.00 C ATOM 1786 O THR A 114 7.925 -17.537 -2.301 1.00 0.00 O ATOM 1787 CB THR A 114 9.970 -16.855 -4.077 1.00 0.00 C ATOM 1788 OG1 THR A 114 10.907 -17.490 -3.227 1.00 0.00 O ATOM 1789 CG2 THR A 114 10.724 -16.319 -5.274 1.00 0.00 C ATOM 0 H THR A 114 11.027 -15.129 -2.554 1.00 0.00 H new ATOM 0 HA THR A 114 8.512 -15.294 -4.017 1.00 0.00 H new ATOM 0 HB THR A 114 9.216 -17.559 -4.430 1.00 0.00 H new ATOM 0 HG1 THR A 114 11.392 -18.177 -3.730 1.00 0.00 H new ATOM 0 HG21 THR A 114 11.252 -17.135 -5.767 1.00 0.00 H new ATOM 0 HG22 THR A 114 10.021 -15.867 -5.974 1.00 0.00 H new ATOM 0 HG23 THR A 114 11.442 -15.568 -4.945 1.00 0.00 H new ATOM 1797 N GLU A 115 8.241 -15.665 -1.078 1.00 0.00 N ATOM 1798 CA GLU A 115 7.503 -16.188 0.064 1.00 0.00 C ATOM 1799 C GLU A 115 7.134 -15.096 1.062 1.00 0.00 C ATOM 1800 O GLU A 115 7.742 -14.979 2.126 1.00 0.00 O ATOM 1801 CB GLU A 115 8.332 -17.265 0.755 1.00 0.00 C ATOM 1802 CG GLU A 115 9.645 -16.750 1.324 1.00 0.00 C ATOM 1803 CD GLU A 115 9.829 -17.106 2.787 1.00 0.00 C ATOM 1804 OE1 GLU A 115 8.851 -16.990 3.554 1.00 0.00 O ATOM 1805 OE2 GLU A 115 10.952 -17.501 3.164 1.00 0.00 O ATOM 0 H GLU A 115 8.615 -14.724 -0.954 1.00 0.00 H new ATOM 0 HA GLU A 115 6.571 -16.613 -0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.744 -17.704 1.561 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.542 -18.063 0.043 1.00 0.00 H new ATOM 0 HG2 GLU A 115 10.473 -17.162 0.747 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.686 -15.667 1.210 1.00 0.00 H new ATOM 1812 N THR A 116 6.126 -14.303 0.720 1.00 0.00 N ATOM 1813 CA THR A 116 5.669 -13.237 1.586 1.00 0.00 C ATOM 1814 C THR A 116 4.148 -13.213 1.666 1.00 0.00 C ATOM 1815 O THR A 116 3.470 -14.041 1.056 1.00 0.00 O ATOM 1816 CB THR A 116 6.176 -11.900 1.075 1.00 0.00 C ATOM 1817 OG1 THR A 116 7.332 -12.070 0.273 1.00 0.00 O ATOM 1818 CG2 THR A 116 6.522 -10.949 2.185 1.00 0.00 C ATOM 0 H THR A 116 5.611 -14.383 -0.157 1.00 0.00 H new ATOM 0 HA THR A 116 6.064 -13.418 2.586 1.00 0.00 H new ATOM 0 HB THR A 116 5.359 -11.478 0.490 1.00 0.00 H new ATOM 0 HG1 THR A 116 7.072 -12.414 -0.607 1.00 0.00 H new ATOM 0 HG21 THR A 116 6.879 -10.010 1.762 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.636 -10.760 2.792 1.00 0.00 H new ATOM 0 HG23 THR A 116 7.302 -11.386 2.808 1.00 0.00 H new ATOM 1826 N ASN A 117 3.616 -12.252 2.418 1.00 0.00 N ATOM 1827 CA ASN A 117 2.172 -12.107 2.579 1.00 0.00 C ATOM 1828 C ASN A 117 1.852 -11.120 3.698 1.00 0.00 C ATOM 1829 O ASN A 117 2.752 -10.525 4.290 1.00 0.00 O ATOM 1830 CB ASN A 117 1.520 -13.462 2.878 1.00 0.00 C ATOM 1831 CG ASN A 117 0.797 -14.033 1.675 1.00 0.00 C ATOM 1832 OD1 ASN A 117 1.089 -15.143 1.230 1.00 0.00 O ATOM 1833 ND2 ASN A 117 -0.153 -13.276 1.141 1.00 0.00 N ATOM 0 H ASN A 117 4.166 -11.560 2.927 1.00 0.00 H new ATOM 0 HA ASN A 117 1.767 -11.722 1.643 1.00 0.00 H new ATOM 0 HB2 ASN A 117 2.285 -14.166 3.206 1.00 0.00 H new ATOM 0 HB3 ASN A 117 0.816 -13.349 3.702 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -0.674 -13.608 0.329 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -0.362 -12.362 1.542 1.00 0.00 H new ATOM 1840 N ASP A 118 0.567 -10.962 3.986 1.00 0.00 N ATOM 1841 CA ASP A 118 0.121 -10.056 5.041 1.00 0.00 C ATOM 1842 C ASP A 118 0.706 -10.454 6.391 1.00 0.00 C ATOM 1843 O ASP A 118 0.710 -9.668 7.337 1.00 0.00 O ATOM 1844 CB ASP A 118 -1.402 -10.059 5.124 1.00 0.00 C ATOM 1845 CG ASP A 118 -1.979 -11.461 5.128 1.00 0.00 C ATOM 1846 OD1 ASP A 118 -1.743 -12.198 6.108 1.00 0.00 O ATOM 1847 OD2 ASP A 118 -2.668 -11.822 4.151 1.00 0.00 O ATOM 0 H ASP A 118 -0.188 -11.450 3.504 1.00 0.00 H new ATOM 0 HA ASP A 118 0.472 -9.054 4.794 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -1.715 -9.538 6.029 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -1.810 -9.504 4.279 1.00 0.00 H new ATOM 1852 N ALA A 119 1.196 -11.680 6.470 1.00 0.00 N ATOM 1853 CA ALA A 119 1.786 -12.194 7.699 1.00 0.00 C ATOM 1854 C ALA A 119 3.188 -11.636 7.896 1.00 0.00 C ATOM 1855 O ALA A 119 3.636 -11.434 9.025 1.00 0.00 O ATOM 1856 CB ALA A 119 1.817 -13.714 7.675 1.00 0.00 C ATOM 0 H ALA A 119 1.198 -12.342 5.694 1.00 0.00 H new ATOM 0 HA ALA A 119 1.169 -11.872 8.538 1.00 0.00 H new ATOM 0 HB1 ALA A 119 2.260 -14.084 8.600 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.801 -14.097 7.581 1.00 0.00 H new ATOM 0 HB3 ALA A 119 2.412 -14.052 6.827 1.00 0.00 H new ATOM 1862 N LEU A 120 3.876 -11.384 6.788 1.00 0.00 N ATOM 1863 CA LEU A 120 5.228 -10.844 6.833 1.00 0.00 C ATOM 1864 C LEU A 120 5.210 -9.316 6.813 1.00 0.00 C ATOM 1865 O LEU A 120 6.259 -8.679 6.710 1.00 0.00 O ATOM 1866 CB LEU A 120 6.048 -11.375 5.655 1.00 0.00 C ATOM 1867 CG LEU A 120 6.944 -12.571 5.979 1.00 0.00 C ATOM 1868 CD1 LEU A 120 7.961 -12.201 7.047 1.00 0.00 C ATOM 1869 CD2 LEU A 120 6.107 -13.760 6.425 1.00 0.00 C ATOM 0 H LEU A 120 3.518 -11.546 5.847 1.00 0.00 H new ATOM 0 HA LEU A 120 5.691 -11.167 7.765 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.365 -11.658 4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.671 -10.567 5.272 1.00 0.00 H new ATOM 0 HG LEU A 120 7.483 -12.852 5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 120 8.590 -13.064 7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 120 8.582 -11.380 6.689 1.00 0.00 H new ATOM 0 HD13 LEU A 120 7.441 -11.893 7.954 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.762 -14.602 6.651 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.540 -13.492 7.316 1.00 0.00 H new ATOM 0 HD23 LEU A 120 5.419 -14.040 5.628 1.00 0.00 H new ATOM 1881 N LYS A 121 4.016 -8.729 6.914 1.00 0.00 N ATOM 1882 CA LYS A 121 3.876 -7.276 6.909 1.00 0.00 C ATOM 1883 C LYS A 121 4.712 -6.646 8.020 1.00 0.00 C ATOM 1884 O LYS A 121 5.541 -7.312 8.641 1.00 0.00 O ATOM 1885 CB LYS A 121 2.403 -6.885 7.071 1.00 0.00 C ATOM 1886 CG LYS A 121 1.843 -7.162 8.459 1.00 0.00 C ATOM 1887 CD LYS A 121 0.487 -6.503 8.655 1.00 0.00 C ATOM 1888 CE LYS A 121 -0.560 -7.079 7.714 1.00 0.00 C ATOM 1889 NZ LYS A 121 -1.527 -7.958 8.431 1.00 0.00 N ATOM 0 H LYS A 121 3.136 -9.238 7.000 1.00 0.00 H new ATOM 0 HA LYS A 121 4.239 -6.901 5.952 1.00 0.00 H new ATOM 0 HB2 LYS A 121 2.292 -5.823 6.850 1.00 0.00 H new ATOM 0 HB3 LYS A 121 1.810 -7.428 6.335 1.00 0.00 H new ATOM 0 HG2 LYS A 121 1.750 -8.238 8.607 1.00 0.00 H new ATOM 0 HG3 LYS A 121 2.539 -6.795 9.213 1.00 0.00 H new ATOM 0 HD2 LYS A 121 0.163 -6.638 9.687 1.00 0.00 H new ATOM 0 HD3 LYS A 121 0.576 -5.430 8.487 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -1.099 -6.265 7.229 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -0.067 -7.648 6.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -2.393 -8.056 7.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -1.101 -8.895 8.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -1.762 -7.537 9.352 1.00 0.00 H new ATOM 1903 N MET A 122 4.487 -5.361 8.271 1.00 0.00 N ATOM 1904 CA MET A 122 5.220 -4.650 9.309 1.00 0.00 C ATOM 1905 C MET A 122 4.332 -3.618 9.995 1.00 0.00 C ATOM 1906 O MET A 122 3.580 -2.896 9.339 1.00 0.00 O ATOM 1907 CB MET A 122 6.455 -3.967 8.718 1.00 0.00 C ATOM 1908 CG MET A 122 6.135 -2.987 7.597 1.00 0.00 C ATOM 1909 SD MET A 122 7.076 -3.317 6.093 1.00 0.00 S ATOM 1910 CE MET A 122 7.231 -1.667 5.410 1.00 0.00 C ATOM 0 H MET A 122 3.804 -4.792 7.770 1.00 0.00 H new ATOM 0 HA MET A 122 5.540 -5.379 10.054 1.00 0.00 H new ATOM 0 HB2 MET A 122 6.981 -3.438 9.512 1.00 0.00 H new ATOM 0 HB3 MET A 122 7.135 -4.730 8.339 1.00 0.00 H new ATOM 0 HG2 MET A 122 5.070 -3.034 7.372 1.00 0.00 H new ATOM 0 HG3 MET A 122 6.344 -1.972 7.936 1.00 0.00 H new ATOM 0 HE1 MET A 122 6.799 -1.645 4.409 1.00 0.00 H new ATOM 0 HE2 MET A 122 6.704 -0.958 6.048 1.00 0.00 H new ATOM 0 HE3 MET A 122 8.285 -1.393 5.356 1.00 0.00 H new ATOM 1920 N LYS A 123 4.430 -3.547 11.321 1.00 0.00 N ATOM 1921 CA LYS A 123 3.641 -2.596 12.098 1.00 0.00 C ATOM 1922 C LYS A 123 3.794 -1.183 11.541 1.00 0.00 C ATOM 1923 O LYS A 123 2.930 -0.330 11.739 1.00 0.00 O ATOM 1924 CB LYS A 123 4.065 -2.630 13.567 1.00 0.00 C ATOM 1925 CG LYS A 123 3.263 -3.610 14.409 1.00 0.00 C ATOM 1926 CD LYS A 123 4.151 -4.685 15.014 1.00 0.00 C ATOM 1927 CE LYS A 123 3.409 -6.003 15.162 1.00 0.00 C ATOM 1928 NZ LYS A 123 4.334 -7.131 15.456 1.00 0.00 N ATOM 0 H LYS A 123 5.048 -4.137 11.879 1.00 0.00 H new ATOM 0 HA LYS A 123 2.592 -2.884 12.026 1.00 0.00 H new ATOM 0 HB2 LYS A 123 5.121 -2.893 13.626 1.00 0.00 H new ATOM 0 HB3 LYS A 123 3.961 -1.631 13.990 1.00 0.00 H new ATOM 0 HG2 LYS A 123 2.749 -3.071 15.205 1.00 0.00 H new ATOM 0 HG3 LYS A 123 2.495 -4.076 13.792 1.00 0.00 H new ATOM 0 HD2 LYS A 123 5.029 -4.829 14.385 1.00 0.00 H new ATOM 0 HD3 LYS A 123 4.509 -4.356 15.990 1.00 0.00 H new ATOM 0 HE2 LYS A 123 2.674 -5.918 15.963 1.00 0.00 H new ATOM 0 HE3 LYS A 123 2.858 -6.215 14.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 3.789 -8.012 15.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 5.020 -7.229 14.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 4.841 -6.942 16.344 1.00 0.00 H new ATOM 1942 N GLN A 124 4.899 -0.946 10.842 1.00 0.00 N ATOM 1943 CA GLN A 124 5.168 0.355 10.249 1.00 0.00 C ATOM 1944 C GLN A 124 4.126 0.700 9.195 1.00 0.00 C ATOM 1945 O GLN A 124 3.334 1.626 9.364 1.00 0.00 O ATOM 1946 CB GLN A 124 6.557 0.360 9.617 1.00 0.00 C ATOM 1947 CG GLN A 124 7.584 1.154 10.406 1.00 0.00 C ATOM 1948 CD GLN A 124 7.358 2.652 10.314 1.00 0.00 C ATOM 1949 OE1 GLN A 124 6.926 3.163 9.282 1.00 0.00 O ATOM 1950 NE2 GLN A 124 7.653 3.361 11.397 1.00 0.00 N ATOM 0 H GLN A 124 5.625 -1.643 10.673 1.00 0.00 H new ATOM 0 HA GLN A 124 5.122 1.105 11.039 1.00 0.00 H new ATOM 0 HB2 GLN A 124 6.905 -0.668 9.517 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.487 0.772 8.610 1.00 0.00 H new ATOM 0 HG2 GLN A 124 7.549 0.848 11.452 1.00 0.00 H new ATOM 0 HG3 GLN A 124 8.582 0.917 10.038 1.00 0.00 H new ATOM 0 HE21 GLN A 124 8.009 2.894 12.231 1.00 0.00 H new ATOM 0 HE22 GLN A 124 7.524 4.373 11.395 1.00 0.00 H new ATOM 1959 N LEU A 125 4.143 -0.050 8.100 1.00 0.00 N ATOM 1960 CA LEU A 125 3.212 0.169 7.004 1.00 0.00 C ATOM 1961 C LEU A 125 1.770 0.127 7.486 1.00 0.00 C ATOM 1962 O LEU A 125 0.898 0.777 6.912 1.00 0.00 O ATOM 1963 CB LEU A 125 3.434 -0.875 5.906 1.00 0.00 C ATOM 1964 CG LEU A 125 2.758 -2.230 6.132 1.00 0.00 C ATOM 1965 CD1 LEU A 125 1.307 -2.186 5.679 1.00 0.00 C ATOM 1966 CD2 LEU A 125 3.510 -3.327 5.396 1.00 0.00 C ATOM 0 H LEU A 125 4.796 -0.819 7.949 1.00 0.00 H new ATOM 0 HA LEU A 125 3.400 1.162 6.596 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.076 -0.464 4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.506 -1.038 5.797 1.00 0.00 H new ATOM 0 HG LEU A 125 2.779 -2.451 7.199 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.844 -3.158 5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 125 0.771 -1.425 6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.265 -1.943 4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 125 3.017 -4.284 5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.519 -3.109 4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.535 -3.376 5.765 1.00 0.00 H new ATOM 1978 N ASP A 126 1.522 -0.647 8.536 1.00 0.00 N ATOM 1979 CA ASP A 126 0.172 -0.773 9.077 1.00 0.00 C ATOM 1980 C ASP A 126 -0.205 0.449 9.902 1.00 0.00 C ATOM 1981 O ASP A 126 -1.185 1.138 9.610 1.00 0.00 O ATOM 1982 CB ASP A 126 0.048 -2.033 9.938 1.00 0.00 C ATOM 1983 CG ASP A 126 0.858 -3.194 9.396 1.00 0.00 C ATOM 1984 OD1 ASP A 126 0.974 -3.309 8.158 1.00 0.00 O ATOM 1985 OD2 ASP A 126 1.375 -3.988 10.210 1.00 0.00 O ATOM 0 H ASP A 126 2.230 -1.193 9.027 1.00 0.00 H new ATOM 0 HA ASP A 126 -0.514 -0.849 8.233 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.377 -1.808 10.953 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -1.001 -2.324 10.000 1.00 0.00 H new ATOM 1990 N THR A 127 0.586 0.714 10.931 1.00 0.00 N ATOM 1991 CA THR A 127 0.352 1.852 11.806 1.00 0.00 C ATOM 1992 C THR A 127 0.358 3.152 11.014 1.00 0.00 C ATOM 1993 O THR A 127 -0.280 4.131 11.402 1.00 0.00 O ATOM 1994 CB THR A 127 1.412 1.904 12.908 1.00 0.00 C ATOM 1995 OG1 THR A 127 1.440 0.689 13.635 1.00 0.00 O ATOM 1996 CG2 THR A 127 1.190 3.027 13.899 1.00 0.00 C ATOM 0 H THR A 127 1.400 0.152 11.181 1.00 0.00 H new ATOM 0 HA THR A 127 -0.629 1.731 12.265 1.00 0.00 H new ATOM 0 HB THR A 127 2.357 2.077 12.392 1.00 0.00 H new ATOM 0 HG1 THR A 127 2.072 0.070 13.213 1.00 0.00 H new ATOM 0 HG21 THR A 127 1.976 3.007 14.654 1.00 0.00 H new ATOM 0 HG22 THR A 127 1.213 3.983 13.376 1.00 0.00 H new ATOM 0 HG23 THR A 127 0.221 2.900 14.382 1.00 0.00 H new ATOM 2004 N TYR A 128 1.088 3.156 9.902 1.00 0.00 N ATOM 2005 CA TYR A 128 1.183 4.336 9.062 1.00 0.00 C ATOM 2006 C TYR A 128 -0.105 4.556 8.284 1.00 0.00 C ATOM 2007 O TYR A 128 -0.726 5.610 8.392 1.00 0.00 O ATOM 2008 CB TYR A 128 2.367 4.213 8.102 1.00 0.00 C ATOM 2009 CG TYR A 128 3.651 4.787 8.657 1.00 0.00 C ATOM 2010 CD1 TYR A 128 4.076 4.472 9.942 1.00 0.00 C ATOM 2011 CD2 TYR A 128 4.435 5.645 7.897 1.00 0.00 C ATOM 2012 CE1 TYR A 128 5.247 4.998 10.454 1.00 0.00 C ATOM 2013 CE2 TYR A 128 5.608 6.173 8.402 1.00 0.00 C ATOM 2014 CZ TYR A 128 6.009 5.847 9.680 1.00 0.00 C ATOM 2015 OH TYR A 128 7.176 6.372 10.187 1.00 0.00 O ATOM 0 H TYR A 128 1.620 2.354 9.566 1.00 0.00 H new ATOM 0 HA TYR A 128 1.342 5.199 9.708 1.00 0.00 H new ATOM 0 HB2 TYR A 128 2.522 3.161 7.861 1.00 0.00 H new ATOM 0 HB3 TYR A 128 2.123 4.722 7.169 1.00 0.00 H new ATOM 0 HD1 TYR A 128 3.482 3.806 10.550 1.00 0.00 H new ATOM 0 HD2 TYR A 128 4.123 5.904 6.896 1.00 0.00 H new ATOM 0 HE1 TYR A 128 5.563 4.745 11.455 1.00 0.00 H new ATOM 0 HE2 TYR A 128 6.208 6.838 7.798 1.00 0.00 H new ATOM 0 HH TYR A 128 7.594 6.950 9.515 1.00 0.00 H new ATOM 2025 N ILE A 129 -0.508 3.558 7.502 1.00 0.00 N ATOM 2026 CA ILE A 129 -1.722 3.660 6.713 1.00 0.00 C ATOM 2027 C ILE A 129 -2.919 4.036 7.578 1.00 0.00 C ATOM 2028 O ILE A 129 -3.869 4.658 7.102 1.00 0.00 O ATOM 2029 CB ILE A 129 -2.024 2.345 5.975 1.00 0.00 C ATOM 2030 CG1 ILE A 129 -3.287 2.516 5.123 1.00 0.00 C ATOM 2031 CG2 ILE A 129 -2.175 1.198 6.961 1.00 0.00 C ATOM 2032 CD1 ILE A 129 -4.534 2.036 5.807 1.00 0.00 C ATOM 0 H ILE A 129 -0.010 2.674 7.401 1.00 0.00 H new ATOM 0 HA ILE A 129 -1.553 4.448 5.980 1.00 0.00 H new ATOM 0 HB ILE A 129 -1.190 2.102 5.317 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -3.404 3.569 4.866 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -3.162 1.972 4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -2.388 0.277 6.418 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -1.251 1.080 7.526 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -2.995 1.413 7.647 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -5.390 2.186 5.150 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -4.436 0.976 6.039 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -4.682 2.597 6.729 1.00 0.00 H new ATOM 2044 N SER A 130 -2.871 3.652 8.845 1.00 0.00 N ATOM 2045 CA SER A 130 -3.957 3.947 9.767 1.00 0.00 C ATOM 2046 C SER A 130 -3.944 5.412 10.195 1.00 0.00 C ATOM 2047 O SER A 130 -4.977 6.079 10.183 1.00 0.00 O ATOM 2048 CB SER A 130 -3.861 3.041 10.993 1.00 0.00 C ATOM 2049 OG SER A 130 -4.640 3.542 12.065 1.00 0.00 O ATOM 0 H SER A 130 -2.093 3.137 9.257 1.00 0.00 H new ATOM 0 HA SER A 130 -4.898 3.758 9.250 1.00 0.00 H new ATOM 0 HB2 SER A 130 -4.198 2.037 10.734 1.00 0.00 H new ATOM 0 HB3 SER A 130 -2.820 2.957 11.305 1.00 0.00 H new ATOM 0 HG SER A 130 -4.561 2.942 12.835 1.00 0.00 H new ATOM 2055 N LYS A 131 -2.773 5.903 10.587 1.00 0.00 N ATOM 2056 CA LYS A 131 -2.633 7.287 11.035 1.00 0.00 C ATOM 2057 C LYS A 131 -2.443 8.262 9.868 1.00 0.00 C ATOM 2058 O LYS A 131 -2.620 9.469 10.032 1.00 0.00 O ATOM 2059 CB LYS A 131 -1.459 7.410 12.008 1.00 0.00 C ATOM 2060 CG LYS A 131 -0.144 6.888 11.450 1.00 0.00 C ATOM 2061 CD LYS A 131 0.708 8.012 10.893 1.00 0.00 C ATOM 2062 CE LYS A 131 1.737 8.490 11.905 1.00 0.00 C ATOM 2063 NZ LYS A 131 1.322 9.759 12.562 1.00 0.00 N ATOM 0 H LYS A 131 -1.907 5.365 10.604 1.00 0.00 H new ATOM 0 HA LYS A 131 -3.561 7.556 11.539 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -1.336 8.457 12.284 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -1.697 6.865 12.922 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.405 6.369 12.235 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -0.344 6.159 10.665 1.00 0.00 H new ATOM 0 HD2 LYS A 131 1.216 7.671 9.991 1.00 0.00 H new ATOM 0 HD3 LYS A 131 0.068 8.845 10.603 1.00 0.00 H new ATOM 0 HE2 LYS A 131 1.885 7.721 12.663 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.695 8.636 11.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 2.129 10.414 12.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 0.545 10.191 12.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 1.001 9.559 13.531 1.00 0.00 H new ATOM 2077 N TYR A 132 -2.067 7.746 8.702 1.00 0.00 N ATOM 2078 CA TYR A 132 -1.839 8.595 7.532 1.00 0.00 C ATOM 2079 C TYR A 132 -3.140 9.003 6.852 1.00 0.00 C ATOM 2080 O TYR A 132 -3.152 9.918 6.027 1.00 0.00 O ATOM 2081 CB TYR A 132 -0.921 7.894 6.529 1.00 0.00 C ATOM 2082 CG TYR A 132 0.504 8.405 6.556 1.00 0.00 C ATOM 2083 CD1 TYR A 132 1.070 8.890 7.730 1.00 0.00 C ATOM 2084 CD2 TYR A 132 1.282 8.402 5.408 1.00 0.00 C ATOM 2085 CE1 TYR A 132 2.371 9.356 7.755 1.00 0.00 C ATOM 2086 CE2 TYR A 132 2.583 8.867 5.426 1.00 0.00 C ATOM 2087 CZ TYR A 132 3.123 9.342 6.601 1.00 0.00 C ATOM 2088 OH TYR A 132 4.418 9.806 6.622 1.00 0.00 O ATOM 0 H TYR A 132 -1.914 6.751 8.540 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.356 9.504 7.889 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -0.919 6.824 6.736 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -1.326 8.023 5.525 1.00 0.00 H new ATOM 0 HD1 TYR A 132 0.484 8.903 8.637 1.00 0.00 H new ATOM 0 HD2 TYR A 132 0.864 8.030 4.484 1.00 0.00 H new ATOM 0 HE1 TYR A 132 2.796 9.729 8.675 1.00 0.00 H new ATOM 0 HE2 TYR A 132 3.174 8.858 4.522 1.00 0.00 H new ATOM 0 HH TYR A 132 4.497 10.581 6.028 1.00 0.00 H new ATOM 2098 N GLN A 133 -4.233 8.331 7.192 1.00 0.00 N ATOM 2099 CA GLN A 133 -5.536 8.636 6.605 1.00 0.00 C ATOM 2100 C GLN A 133 -5.797 10.142 6.562 1.00 0.00 C ATOM 2101 O GLN A 133 -6.527 10.629 5.700 1.00 0.00 O ATOM 2102 CB GLN A 133 -6.637 7.945 7.404 1.00 0.00 C ATOM 2103 CG GLN A 133 -6.700 8.397 8.849 1.00 0.00 C ATOM 2104 CD GLN A 133 -8.046 8.126 9.491 1.00 0.00 C ATOM 2105 OE1 GLN A 133 -8.598 8.978 10.186 1.00 0.00 O ATOM 2106 NE2 GLN A 133 -8.581 6.933 9.261 1.00 0.00 N ATOM 0 H GLN A 133 -4.245 7.570 7.871 1.00 0.00 H new ATOM 0 HA GLN A 133 -5.535 8.266 5.580 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -7.598 8.138 6.928 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -6.477 6.867 7.374 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -5.922 7.888 9.418 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -6.486 9.465 8.901 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -8.088 6.257 8.678 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -9.485 6.693 9.667 1.00 0.00 H new ATOM 2115 N ASP A 134 -5.198 10.873 7.497 1.00 0.00 N ATOM 2116 CA ASP A 134 -5.371 12.319 7.560 1.00 0.00 C ATOM 2117 C ASP A 134 -4.371 13.030 6.651 1.00 0.00 C ATOM 2118 O ASP A 134 -3.251 12.557 6.455 1.00 0.00 O ATOM 2119 CB ASP A 134 -5.209 12.810 9.000 1.00 0.00 C ATOM 2120 CG ASP A 134 -6.439 12.541 9.844 1.00 0.00 C ATOM 2121 OD1 ASP A 134 -7.543 12.958 9.435 1.00 0.00 O ATOM 2122 OD2 ASP A 134 -6.299 11.913 10.914 1.00 0.00 O ATOM 0 H ASP A 134 -4.590 10.488 8.220 1.00 0.00 H new ATOM 0 HA ASP A 134 -6.377 12.554 7.214 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -4.347 12.321 9.453 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -5.002 13.880 8.995 1.00 0.00 H new ATOM 2127 N PRO A 135 -4.765 14.184 6.082 1.00 0.00 N ATOM 2128 CA PRO A 135 -3.901 14.961 5.190 1.00 0.00 C ATOM 2129 C PRO A 135 -2.779 15.672 5.937 1.00 0.00 C ATOM 2130 O PRO A 135 -1.723 15.954 5.370 1.00 0.00 O ATOM 2131 CB PRO A 135 -4.857 15.980 4.574 1.00 0.00 C ATOM 2132 CG PRO A 135 -5.916 16.158 5.598 1.00 0.00 C ATOM 2133 CD PRO A 135 -6.084 14.818 6.261 1.00 0.00 C ATOM 0 HA PRO A 135 -3.398 14.328 4.460 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -4.350 16.921 4.359 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -5.271 15.618 3.633 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -5.632 16.919 6.324 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -6.849 16.486 5.141 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -6.342 14.920 7.315 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -6.878 14.235 5.794 1.00 0.00 H new ATOM 2141 N SER A 136 -3.014 15.961 7.214 1.00 0.00 N ATOM 2142 CA SER A 136 -2.023 16.642 8.042 1.00 0.00 C ATOM 2143 C SER A 136 -0.681 15.914 8.009 1.00 0.00 C ATOM 2144 O SER A 136 0.368 16.517 8.232 1.00 0.00 O ATOM 2145 CB SER A 136 -2.522 16.749 9.484 1.00 0.00 C ATOM 2146 OG SER A 136 -2.187 18.005 10.047 1.00 0.00 O ATOM 0 H SER A 136 -3.883 15.734 7.698 1.00 0.00 H new ATOM 0 HA SER A 136 -1.878 17.643 7.636 1.00 0.00 H new ATOM 0 HB2 SER A 136 -3.603 16.612 9.509 1.00 0.00 H new ATOM 0 HB3 SER A 136 -2.086 15.950 10.083 1.00 0.00 H new ATOM 0 HG SER A 136 -2.518 18.049 10.968 1.00 0.00 H new ATOM 2152 N GLN A 137 -0.722 14.614 7.728 1.00 0.00 N ATOM 2153 CA GLN A 137 0.492 13.808 7.666 1.00 0.00 C ATOM 2154 C GLN A 137 1.254 13.862 8.988 1.00 0.00 C ATOM 2155 O GLN A 137 2.463 13.634 9.027 1.00 0.00 O ATOM 2156 CB GLN A 137 1.387 14.292 6.524 1.00 0.00 C ATOM 2157 CG GLN A 137 1.331 13.406 5.290 1.00 0.00 C ATOM 2158 CD GLN A 137 2.705 12.955 4.831 1.00 0.00 C ATOM 2159 OE1 GLN A 137 2.967 11.759 4.699 1.00 0.00 O ATOM 2160 NE2 GLN A 137 3.591 13.913 4.583 1.00 0.00 N ATOM 0 H GLN A 137 -1.582 14.098 7.540 1.00 0.00 H new ATOM 0 HA GLN A 137 0.204 12.773 7.481 1.00 0.00 H new ATOM 0 HB2 GLN A 137 1.093 15.305 6.248 1.00 0.00 H new ATOM 0 HB3 GLN A 137 2.417 14.344 6.877 1.00 0.00 H new ATOM 0 HG2 GLN A 137 0.718 12.530 5.504 1.00 0.00 H new ATOM 0 HG3 GLN A 137 0.842 13.948 4.481 1.00 0.00 H new ATOM 0 HE21 GLN A 137 3.332 14.892 4.706 1.00 0.00 H new ATOM 0 HE22 GLN A 137 4.531 13.670 4.270 1.00 0.00 H new ATOM 2169 N ALA A 138 0.539 14.165 10.069 1.00 0.00 N ATOM 2170 CA ALA A 138 1.150 14.249 11.391 1.00 0.00 C ATOM 2171 C ALA A 138 2.335 15.209 11.393 1.00 0.00 C ATOM 2172 O ALA A 138 3.350 14.958 12.044 1.00 0.00 O ATOM 2173 CB ALA A 138 1.586 12.867 11.858 1.00 0.00 C ATOM 0 H ALA A 138 -0.463 14.356 10.054 1.00 0.00 H new ATOM 0 HA ALA A 138 0.404 14.638 12.084 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.040 12.943 12.846 1.00 0.00 H new ATOM 0 HB2 ALA A 138 0.718 12.209 11.908 1.00 0.00 H new ATOM 0 HB3 ALA A 138 2.312 12.458 11.155 1.00 0.00 H new ATOM 2179 N ASP A 139 2.201 16.309 10.660 1.00 0.00 N ATOM 2180 CA ASP A 139 3.261 17.307 10.576 1.00 0.00 C ATOM 2181 C ASP A 139 4.522 16.710 9.960 1.00 0.00 C ATOM 2182 O ASP A 139 5.638 17.102 10.302 1.00 0.00 O ATOM 2183 CB ASP A 139 3.574 17.869 11.964 1.00 0.00 C ATOM 2184 CG ASP A 139 4.060 19.304 11.912 1.00 0.00 C ATOM 2185 OD1 ASP A 139 3.328 20.160 11.374 1.00 0.00 O ATOM 2186 OD2 ASP A 139 5.175 19.571 12.408 1.00 0.00 O ATOM 0 H ASP A 139 1.368 16.532 10.115 1.00 0.00 H new ATOM 0 HA ASP A 139 2.913 18.117 9.935 1.00 0.00 H new ATOM 0 HB2 ASP A 139 2.680 17.814 12.585 1.00 0.00 H new ATOM 0 HB3 ASP A 139 4.333 17.249 12.441 1.00 0.00 H new ATOM 2191 N ALA A 140 4.337 15.760 9.049 1.00 0.00 N ATOM 2192 CA ALA A 140 5.460 15.108 8.385 1.00 0.00 C ATOM 2193 C ALA A 140 5.974 15.951 7.222 1.00 0.00 C ATOM 2194 O ALA A 140 5.435 17.058 7.013 1.00 0.00 O ATOM 2195 CB ALA A 140 5.054 13.726 7.897 1.00 0.00 C ATOM 2196 OXT ALA A 140 6.910 15.497 6.532 1.00 0.00 O ATOM 0 H ALA A 140 3.420 15.425 8.754 1.00 0.00 H new ATOM 0 HA ALA A 140 6.268 15.003 9.109 1.00 0.00 H new ATOM 0 HB1 ALA A 140 5.902 13.251 7.403 1.00 0.00 H new ATOM 0 HB2 ALA A 140 4.741 13.118 8.746 1.00 0.00 H new ATOM 0 HB3 ALA A 140 4.228 13.817 7.192 1.00 0.00 H new TER 2202 ALA A 140