USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 579 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 58 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Set 1.2: A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 ASN : amide:sc= -0.067 K(o=-0.067,f=-0.68) USER MOD Single : A 1 ASN N :NH3+ -168:sc= 0 (180deg=-0.107) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0651 USER MOD Single : A 9 SER OG : rot 94:sc= 0.514 USER MOD Single : A 12 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.055) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.64 K(o=-0.64,f=-8.2!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-3.1) USER MOD Single : A 32 THR OG1 : rot 128:sc= -0.602 USER MOD Single : A 41 THR OG1 : rot 63:sc= 1.65 USER MOD Single : A 42 LYS NZ :NH3+ -142:sc= -0.083 (180deg=-0.644) USER MOD Single : A 43 TYR OH : rot 165:sc= -0.723 USER MOD Single : A 45 GLN : amide:sc= -4.37! C(o=-4.4!,f=-8.7!) USER MOD Single : A 49 GLN : amide:sc= -1.66 K(o=-1.7,f=-2.3) USER MOD Single : A 52 THR OG1 : rot 64:sc= -0.0986 USER MOD Single : A 54 HIS : no HD1:sc= -0.0342 X(o=-0.034,f=-0.43) USER MOD Single : A 56 HIS : no HE2:sc= -0.627 K(o=-0.63,f=-1.7) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.728 F(o=-6.7!,f=-0.73) USER MOD Single : A 65 LYS NZ :NH3+ -162:sc= -0.0488 (180deg=-0.634) USER MOD Single : A 74 HIS : no HD1:sc=-0.00345 X(o=-0.0035,f=-0.0035) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -15.377 -5.699 -14.542 1.00 0.00 N ATOM 2 CA ASN A 1 -14.676 -5.722 -13.228 1.00 0.00 C ATOM 3 C ASN A 1 -15.504 -4.903 -12.225 1.00 0.00 C ATOM 4 O ASN A 1 -15.283 -3.701 -12.063 1.00 0.00 O ATOM 5 CB ASN A 1 -13.258 -5.114 -13.397 1.00 0.00 C ATOM 6 CG ASN A 1 -12.432 -5.930 -14.398 1.00 0.00 C ATOM 7 OD1 ASN A 1 -12.566 -7.151 -14.469 1.00 0.00 O ATOM 8 ND2 ASN A 1 -11.572 -5.319 -15.172 1.00 0.00 N ATOM 0 H1 ASN A 1 -14.950 -6.405 -15.176 1.00 0.00 H new ATOM 0 H2 ASN A 1 -16.383 -5.922 -14.403 1.00 0.00 H new ATOM 0 H3 ASN A 1 -15.288 -4.754 -14.967 1.00 0.00 H new ATOM 0 HA ASN A 1 -14.572 -6.743 -12.860 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -13.338 -4.083 -13.740 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -12.750 -5.091 -12.433 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -11.012 -5.855 -15.835 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -11.462 -4.307 -15.112 1.00 0.00 H new ATOM 17 N THR A 2 -16.469 -5.562 -11.554 1.00 0.00 N ATOM 18 CA THR A 2 -17.332 -4.888 -10.562 1.00 0.00 C ATOM 19 C THR A 2 -16.483 -4.370 -9.384 1.00 0.00 C ATOM 20 O THR A 2 -16.612 -3.218 -8.973 1.00 0.00 O ATOM 21 CB THR A 2 -18.416 -5.882 -10.050 1.00 0.00 C ATOM 22 OG1 THR A 2 -19.050 -6.487 -11.168 1.00 0.00 O ATOM 23 CG2 THR A 2 -19.485 -5.163 -9.192 1.00 0.00 C ATOM 0 H THR A 2 -16.670 -6.554 -11.679 1.00 0.00 H new ATOM 0 HA THR A 2 -17.824 -4.038 -11.035 1.00 0.00 H new ATOM 0 HB THR A 2 -17.928 -6.632 -9.428 1.00 0.00 H new ATOM 0 HG1 THR A 2 -19.733 -7.116 -10.856 1.00 0.00 H new ATOM 0 HG21 THR A 2 -20.225 -5.887 -8.852 1.00 0.00 H new ATOM 0 HG22 THR A 2 -19.007 -4.699 -8.329 1.00 0.00 H new ATOM 0 HG23 THR A 2 -19.976 -4.396 -9.790 1.00 0.00 H new ATOM 31 N VAL A 3 -15.608 -5.248 -8.856 1.00 0.00 N ATOM 32 CA VAL A 3 -14.719 -4.906 -7.729 1.00 0.00 C ATOM 33 C VAL A 3 -13.745 -3.796 -8.132 1.00 0.00 C ATOM 34 O VAL A 3 -13.223 -3.082 -7.278 1.00 0.00 O ATOM 35 CB VAL A 3 -13.955 -6.191 -7.245 1.00 0.00 C ATOM 36 CG1 VAL A 3 -13.090 -6.795 -8.392 1.00 0.00 C ATOM 37 CG2 VAL A 3 -13.039 -5.868 -6.022 1.00 0.00 C ATOM 0 H VAL A 3 -15.498 -6.204 -9.194 1.00 0.00 H new ATOM 0 HA VAL A 3 -15.319 -4.532 -6.899 1.00 0.00 H new ATOM 0 HB VAL A 3 -14.707 -6.922 -6.946 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -12.573 -7.683 -8.029 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -13.734 -7.067 -9.229 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -12.358 -6.058 -8.722 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -12.521 -6.774 -5.706 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -12.307 -5.112 -6.305 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -13.649 -5.493 -5.200 1.00 0.00 H new ATOM 47 N ASP A 4 -13.497 -3.691 -9.442 1.00 0.00 N ATOM 48 CA ASP A 4 -12.569 -2.696 -10.008 1.00 0.00 C ATOM 49 C ASP A 4 -11.152 -2.989 -9.508 1.00 0.00 C ATOM 50 O ASP A 4 -10.971 -3.845 -8.642 1.00 0.00 O ATOM 51 CB ASP A 4 -13.000 -1.237 -9.655 1.00 0.00 C ATOM 52 CG ASP A 4 -12.139 -0.203 -10.402 1.00 0.00 C ATOM 53 OD1 ASP A 4 -12.428 0.053 -11.560 1.00 0.00 O ATOM 54 OD2 ASP A 4 -11.210 0.319 -9.801 1.00 0.00 O ATOM 0 H ASP A 4 -13.932 -4.291 -10.143 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.592 -2.774 -11.095 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -14.049 -1.093 -9.912 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -12.911 -1.079 -8.580 1.00 0.00 H new ATOM 59 N ASP A 5 -10.152 -2.291 -10.058 1.00 0.00 N ATOM 60 CA ASP A 5 -8.745 -2.501 -9.658 1.00 0.00 C ATOM 61 C ASP A 5 -8.454 -1.750 -8.342 1.00 0.00 C ATOM 62 O ASP A 5 -8.161 -0.558 -8.345 1.00 0.00 O ATOM 63 CB ASP A 5 -7.809 -2.003 -10.794 1.00 0.00 C ATOM 64 CG ASP A 5 -6.339 -2.326 -10.485 1.00 0.00 C ATOM 65 OD1 ASP A 5 -6.076 -3.449 -10.085 1.00 0.00 O ATOM 66 OD2 ASP A 5 -5.503 -1.451 -10.656 1.00 0.00 O ATOM 0 H ASP A 5 -10.283 -1.579 -10.777 1.00 0.00 H new ATOM 0 HA ASP A 5 -8.565 -3.563 -9.492 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -8.096 -2.470 -11.736 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -7.929 -0.927 -10.922 1.00 0.00 H new ATOM 71 N ILE A 6 -8.543 -2.464 -7.211 1.00 0.00 N ATOM 72 CA ILE A 6 -8.286 -1.868 -5.887 1.00 0.00 C ATOM 73 C ILE A 6 -6.794 -1.502 -5.756 1.00 0.00 C ATOM 74 O ILE A 6 -6.414 -0.700 -4.900 1.00 0.00 O ATOM 75 CB ILE A 6 -8.724 -2.881 -4.770 1.00 0.00 C ATOM 76 CG1 ILE A 6 -7.999 -4.258 -4.980 1.00 0.00 C ATOM 77 CG2 ILE A 6 -10.272 -3.080 -4.826 1.00 0.00 C ATOM 78 CD1 ILE A 6 -8.227 -5.210 -3.787 1.00 0.00 C ATOM 0 H ILE A 6 -8.790 -3.453 -7.184 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.866 -0.952 -5.772 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.446 -2.483 -3.794 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.364 -4.726 -5.894 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.930 -4.090 -5.113 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -10.577 -3.783 -4.051 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -10.768 -2.123 -4.663 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -10.553 -3.473 -5.803 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.710 -6.152 -3.969 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.838 -4.753 -2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.294 -5.398 -3.671 1.00 0.00 H new ATOM 90 N SER A 7 -5.964 -2.113 -6.613 1.00 0.00 N ATOM 91 CA SER A 7 -4.508 -1.876 -6.611 1.00 0.00 C ATOM 92 C SER A 7 -4.177 -0.415 -6.974 1.00 0.00 C ATOM 93 O SER A 7 -3.012 -0.002 -6.929 1.00 0.00 O ATOM 94 CB SER A 7 -3.829 -2.844 -7.607 1.00 0.00 C ATOM 95 OG SER A 7 -4.134 -4.185 -7.238 1.00 0.00 O ATOM 0 H SER A 7 -6.275 -2.778 -7.321 1.00 0.00 H new ATOM 0 HA SER A 7 -4.128 -2.060 -5.606 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.177 -2.645 -8.621 1.00 0.00 H new ATOM 0 HB3 SER A 7 -2.750 -2.690 -7.604 1.00 0.00 H new ATOM 0 HG SER A 7 -3.707 -4.803 -7.868 1.00 0.00 H new ATOM 101 N GLU A 8 -5.216 0.376 -7.281 1.00 0.00 N ATOM 102 CA GLU A 8 -5.055 1.809 -7.601 1.00 0.00 C ATOM 103 C GLU A 8 -4.710 2.608 -6.333 1.00 0.00 C ATOM 104 O GLU A 8 -3.947 3.575 -6.397 1.00 0.00 O ATOM 105 CB GLU A 8 -6.386 2.322 -8.234 1.00 0.00 C ATOM 106 CG GLU A 8 -6.601 1.732 -9.665 1.00 0.00 C ATOM 107 CD GLU A 8 -5.594 2.311 -10.668 1.00 0.00 C ATOM 108 OE1 GLU A 8 -5.552 3.523 -10.799 1.00 0.00 O ATOM 109 OE2 GLU A 8 -4.887 1.534 -11.294 1.00 0.00 O ATOM 0 H GLU A 8 -6.182 0.049 -7.315 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.236 1.944 -8.307 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.225 2.046 -7.595 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -6.370 3.411 -8.286 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.500 0.647 -9.632 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.615 1.948 -10.000 1.00 0.00 H new ATOM 116 N SER A 9 -5.282 2.206 -5.186 1.00 0.00 N ATOM 117 CA SER A 9 -5.029 2.902 -3.906 1.00 0.00 C ATOM 118 C SER A 9 -3.533 2.878 -3.555 1.00 0.00 C ATOM 119 O SER A 9 -2.939 3.918 -3.252 1.00 0.00 O ATOM 120 CB SER A 9 -5.825 2.230 -2.782 1.00 0.00 C ATOM 121 OG SER A 9 -5.537 2.888 -1.557 1.00 0.00 O ATOM 0 H SER A 9 -5.917 1.411 -5.115 1.00 0.00 H new ATOM 0 HA SER A 9 -5.346 3.939 -4.014 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.893 2.280 -2.995 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.563 1.174 -2.714 1.00 0.00 H new ATOM 0 HG SER A 9 -6.207 3.584 -1.394 1.00 0.00 H new ATOM 127 N LEU A 10 -2.925 1.681 -3.612 1.00 0.00 N ATOM 128 CA LEU A 10 -1.489 1.516 -3.325 1.00 0.00 C ATOM 129 C LEU A 10 -0.660 2.301 -4.349 1.00 0.00 C ATOM 130 O LEU A 10 0.322 2.950 -3.982 1.00 0.00 O ATOM 131 CB LEU A 10 -1.115 0.005 -3.409 1.00 0.00 C ATOM 132 CG LEU A 10 -1.532 -0.770 -2.116 1.00 0.00 C ATOM 133 CD1 LEU A 10 -3.060 -0.633 -1.848 1.00 0.00 C ATOM 134 CD2 LEU A 10 -1.145 -2.265 -2.266 1.00 0.00 C ATOM 0 H LEU A 10 -3.405 0.814 -3.854 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.277 1.893 -2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.604 -0.443 -4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.041 -0.095 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.005 -0.339 -1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.321 -1.182 -0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.314 0.419 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.616 -1.041 -2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.434 -2.808 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.660 -2.690 -3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.068 -2.349 -2.410 1.00 0.00 H new ATOM 146 N ARG A 11 -1.049 2.227 -5.642 1.00 0.00 N ATOM 147 CA ARG A 11 -0.305 2.937 -6.696 1.00 0.00 C ATOM 148 C ARG A 11 -0.297 4.445 -6.419 1.00 0.00 C ATOM 149 O ARG A 11 0.764 5.063 -6.360 1.00 0.00 O ATOM 150 CB ARG A 11 -0.962 2.661 -8.084 1.00 0.00 C ATOM 151 CG ARG A 11 -0.140 3.322 -9.238 1.00 0.00 C ATOM 152 CD ARG A 11 -0.788 3.015 -10.606 1.00 0.00 C ATOM 153 NE ARG A 11 -0.791 1.565 -10.839 1.00 0.00 N ATOM 154 CZ ARG A 11 0.326 0.868 -11.114 1.00 0.00 C ATOM 155 NH1 ARG A 11 1.488 1.465 -11.219 1.00 0.00 N ATOM 156 NH2 ARG A 11 0.251 -0.421 -11.274 1.00 0.00 N ATOM 0 H ARG A 11 -1.855 1.695 -5.971 1.00 0.00 H new ATOM 0 HA ARG A 11 0.723 2.575 -6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.029 1.586 -8.251 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.981 3.049 -8.091 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.090 4.400 -9.086 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.885 2.950 -9.222 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.808 3.399 -10.630 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.239 3.519 -11.401 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.679 1.065 -10.790 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.556 2.475 -11.092 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.324 0.920 -11.428 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.649 -0.894 -11.191 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.092 -0.959 -11.483 1.00 0.00 H new ATOM 170 N GLN A 12 -1.504 5.001 -6.249 1.00 0.00 N ATOM 171 CA GLN A 12 -1.704 6.433 -5.983 1.00 0.00 C ATOM 172 C GLN A 12 -0.997 7.295 -7.053 1.00 0.00 C ATOM 173 O GLN A 12 -1.638 7.814 -7.968 1.00 0.00 O ATOM 174 CB GLN A 12 -1.211 6.781 -4.551 1.00 0.00 C ATOM 175 CG GLN A 12 -1.640 8.230 -4.122 1.00 0.00 C ATOM 176 CD GLN A 12 -3.143 8.294 -3.845 1.00 0.00 C ATOM 177 OE1 GLN A 12 -3.918 8.740 -4.690 1.00 0.00 O ATOM 178 NE2 GLN A 12 -3.593 7.872 -2.694 1.00 0.00 N ATOM 0 H GLN A 12 -2.373 4.469 -6.292 1.00 0.00 H new ATOM 0 HA GLN A 12 -2.769 6.658 -6.039 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.614 6.058 -3.842 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.125 6.696 -4.510 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.089 8.528 -3.230 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.380 8.938 -4.909 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.946 7.503 -1.997 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.592 7.911 -2.492 1.00 0.00 H new ATOM 187 N GLY A 13 0.330 7.420 -6.923 1.00 0.00 N ATOM 188 CA GLY A 13 1.162 8.194 -7.860 1.00 0.00 C ATOM 189 C GLY A 13 1.042 9.689 -7.577 1.00 0.00 C ATOM 190 O GLY A 13 1.397 10.526 -8.410 1.00 0.00 O ATOM 0 H GLY A 13 0.859 6.988 -6.166 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.203 7.884 -7.771 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.854 7.987 -8.885 1.00 0.00 H new ATOM 194 N GLY A 14 0.536 10.006 -6.383 1.00 0.00 N ATOM 195 CA GLY A 14 0.350 11.395 -5.935 1.00 0.00 C ATOM 196 C GLY A 14 1.682 12.019 -5.512 1.00 0.00 C ATOM 197 O GLY A 14 1.797 13.242 -5.400 1.00 0.00 O ATOM 0 H GLY A 14 0.243 9.310 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.092 11.984 -6.739 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.349 11.421 -5.099 1.00 0.00 H new ATOM 201 N GLY A 15 2.688 11.163 -5.274 1.00 0.00 N ATOM 202 CA GLY A 15 4.039 11.600 -4.856 1.00 0.00 C ATOM 203 C GLY A 15 4.192 11.550 -3.341 1.00 0.00 C ATOM 204 O GLY A 15 5.279 11.267 -2.831 1.00 0.00 O ATOM 0 H GLY A 15 2.594 10.151 -5.364 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.790 10.962 -5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.221 12.615 -5.209 1.00 0.00 H new ATOM 208 N LYS A 16 3.083 11.812 -2.629 1.00 0.00 N ATOM 209 CA LYS A 16 3.044 11.794 -1.149 1.00 0.00 C ATOM 210 C LYS A 16 2.040 10.750 -0.682 1.00 0.00 C ATOM 211 O LYS A 16 0.892 10.736 -1.133 1.00 0.00 O ATOM 212 CB LYS A 16 2.610 13.184 -0.619 1.00 0.00 C ATOM 213 CG LYS A 16 3.603 14.270 -1.117 1.00 0.00 C ATOM 214 CD LYS A 16 3.325 15.651 -0.449 1.00 0.00 C ATOM 215 CE LYS A 16 1.884 16.148 -0.717 1.00 0.00 C ATOM 216 NZ LYS A 16 1.808 17.603 -0.377 1.00 0.00 N ATOM 0 H LYS A 16 2.187 12.042 -3.059 1.00 0.00 H new ATOM 0 HA LYS A 16 4.036 11.552 -0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.602 13.416 -0.962 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.582 13.176 0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.624 13.958 -0.898 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.525 14.367 -2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.487 15.572 0.626 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.037 16.385 -0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.618 15.990 -1.762 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.171 15.582 -0.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.844 17.951 -0.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.047 17.738 0.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.480 18.133 -0.968 1.00 0.00 H new ATOM 230 N LEU A 17 2.490 9.861 0.198 1.00 0.00 N ATOM 231 CA LEU A 17 1.646 8.792 0.720 1.00 0.00 C ATOM 232 C LEU A 17 2.148 8.384 2.102 1.00 0.00 C ATOM 233 O LEU A 17 3.340 8.214 2.305 1.00 0.00 O ATOM 234 CB LEU A 17 1.663 7.575 -0.248 1.00 0.00 C ATOM 235 CG LEU A 17 0.523 6.523 0.107 1.00 0.00 C ATOM 236 CD1 LEU A 17 -0.793 6.838 -0.649 1.00 0.00 C ATOM 237 CD2 LEU A 17 1.003 5.076 -0.216 1.00 0.00 C ATOM 0 H LEU A 17 3.441 9.861 0.567 1.00 0.00 H new ATOM 0 HA LEU A 17 0.619 9.147 0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.530 7.923 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.636 7.086 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 17 0.319 6.598 1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.550 6.100 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.142 7.833 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.613 6.803 -1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.213 4.367 0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.240 5.000 -1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.893 4.848 0.371 1.00 0.00 H new ATOM 249 N ASN A 18 1.213 8.198 3.025 1.00 0.00 N ATOM 250 CA ASN A 18 1.508 7.789 4.389 1.00 0.00 C ATOM 251 C ASN A 18 0.263 7.120 4.967 1.00 0.00 C ATOM 252 O ASN A 18 -0.814 7.209 4.384 1.00 0.00 O ATOM 253 CB ASN A 18 1.888 9.037 5.215 1.00 0.00 C ATOM 254 CG ASN A 18 0.735 10.050 5.221 1.00 0.00 C ATOM 255 OD1 ASN A 18 -0.322 9.758 5.770 1.00 0.00 O ATOM 256 ND2 ASN A 18 0.861 11.218 4.644 1.00 0.00 N ATOM 0 H ASN A 18 0.218 8.329 2.844 1.00 0.00 H new ATOM 0 HA ASN A 18 2.341 7.086 4.415 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.128 8.744 6.237 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.783 9.498 4.797 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.083 11.878 4.653 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.737 11.468 4.185 1.00 0.00 H new ATOM 263 N PHE A 19 0.461 6.409 6.087 1.00 0.00 N ATOM 264 CA PHE A 19 -0.600 5.634 6.774 1.00 0.00 C ATOM 265 C PHE A 19 -1.999 6.253 6.615 1.00 0.00 C ATOM 266 O PHE A 19 -2.949 5.526 6.415 1.00 0.00 O ATOM 267 CB PHE A 19 -0.257 5.554 8.296 1.00 0.00 C ATOM 268 CG PHE A 19 0.031 6.979 8.802 1.00 0.00 C ATOM 269 CD1 PHE A 19 1.316 7.523 8.622 1.00 0.00 C ATOM 270 CD2 PHE A 19 -0.972 7.756 9.421 1.00 0.00 C ATOM 271 CE1 PHE A 19 1.602 8.821 9.047 1.00 0.00 C ATOM 272 CE2 PHE A 19 -0.681 9.060 9.848 1.00 0.00 C ATOM 273 CZ PHE A 19 0.606 9.593 9.660 1.00 0.00 C ATOM 0 H PHE A 19 1.368 6.351 6.551 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.629 4.646 6.314 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.087 5.115 8.850 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.609 4.912 8.457 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.087 6.931 8.151 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.961 7.347 9.565 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.591 9.231 8.904 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.447 9.656 10.322 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.827 10.598 9.988 1.00 0.00 H new ATOM 283 N ASP A 20 -2.101 7.582 6.690 1.00 0.00 N ATOM 284 CA ASP A 20 -3.398 8.270 6.559 1.00 0.00 C ATOM 285 C ASP A 20 -3.906 8.293 5.110 1.00 0.00 C ATOM 286 O ASP A 20 -5.065 8.077 4.845 1.00 0.00 O ATOM 287 CB ASP A 20 -3.242 9.727 7.096 1.00 0.00 C ATOM 288 CG ASP A 20 -4.601 10.409 7.302 1.00 0.00 C ATOM 289 OD1 ASP A 20 -5.273 10.062 8.259 1.00 0.00 O ATOM 290 OD2 ASP A 20 -4.948 11.269 6.505 1.00 0.00 O ATOM 0 H ASP A 20 -1.308 8.205 6.840 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.138 7.721 7.141 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.698 9.710 8.040 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.645 10.311 6.395 1.00 0.00 H new ATOM 295 N GLU A 21 -3.018 8.628 4.177 1.00 0.00 N ATOM 296 CA GLU A 21 -3.403 8.789 2.753 1.00 0.00 C ATOM 297 C GLU A 21 -3.943 7.496 2.161 1.00 0.00 C ATOM 298 O GLU A 21 -4.980 7.481 1.489 1.00 0.00 O ATOM 299 CB GLU A 21 -2.178 9.275 1.931 1.00 0.00 C ATOM 300 CG GLU A 21 -1.629 10.628 2.474 1.00 0.00 C ATOM 301 CD GLU A 21 -2.631 11.776 2.245 1.00 0.00 C ATOM 302 OE1 GLU A 21 -3.072 11.932 1.117 1.00 0.00 O ATOM 303 OE2 GLU A 21 -2.928 12.485 3.195 1.00 0.00 O ATOM 0 H GLU A 21 -2.030 8.795 4.367 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.200 9.531 2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.392 8.521 1.967 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.462 9.390 0.885 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.418 10.535 3.539 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.686 10.863 1.981 1.00 0.00 H new ATOM 310 N LEU A 22 -3.244 6.405 2.452 1.00 0.00 N ATOM 311 CA LEU A 22 -3.665 5.080 1.974 1.00 0.00 C ATOM 312 C LEU A 22 -4.866 4.557 2.787 1.00 0.00 C ATOM 313 O LEU A 22 -5.815 4.036 2.219 1.00 0.00 O ATOM 314 CB LEU A 22 -2.459 4.106 2.060 1.00 0.00 C ATOM 315 CG LEU A 22 -1.792 4.104 3.509 1.00 0.00 C ATOM 316 CD1 LEU A 22 -2.221 2.838 4.291 1.00 0.00 C ATOM 317 CD2 LEU A 22 -0.231 4.167 3.380 1.00 0.00 C ATOM 0 H LEU A 22 -2.391 6.404 3.011 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.990 5.155 0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.790 3.097 1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.712 4.388 1.318 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.132 4.982 4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.760 2.847 5.279 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.306 2.826 4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.900 1.949 3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.217 4.165 4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.123 3.301 2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.054 5.079 2.855 1.00 0.00 H new ATOM 329 N ARG A 23 -4.786 4.643 4.131 1.00 0.00 N ATOM 330 CA ARG A 23 -5.851 4.097 4.990 1.00 0.00 C ATOM 331 C ARG A 23 -7.196 4.741 4.718 1.00 0.00 C ATOM 332 O ARG A 23 -8.203 4.055 4.575 1.00 0.00 O ATOM 333 CB ARG A 23 -5.475 4.278 6.481 1.00 0.00 C ATOM 334 CG ARG A 23 -6.619 3.787 7.429 1.00 0.00 C ATOM 335 CD ARG A 23 -6.098 3.700 8.867 1.00 0.00 C ATOM 336 NE ARG A 23 -5.688 5.037 9.332 1.00 0.00 N ATOM 337 CZ ARG A 23 -5.164 5.255 10.551 1.00 0.00 C ATOM 338 NH1 ARG A 23 -4.989 4.266 11.390 1.00 0.00 N ATOM 339 NH2 ARG A 23 -4.818 6.465 10.901 1.00 0.00 N ATOM 0 H ARG A 23 -4.012 5.076 4.634 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.942 3.036 4.757 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.561 3.724 6.696 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.264 5.329 6.678 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.465 4.473 7.379 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.980 2.812 7.103 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.873 3.300 9.521 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.253 3.013 8.916 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.807 5.831 8.702 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.251 3.317 11.122 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.591 4.444 12.312 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.946 7.240 10.251 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.420 6.635 11.825 1.00 0.00 H new ATOM 353 N GLN A 24 -7.195 6.058 4.712 1.00 0.00 N ATOM 354 CA GLN A 24 -8.419 6.840 4.534 1.00 0.00 C ATOM 355 C GLN A 24 -9.104 6.486 3.231 1.00 0.00 C ATOM 356 O GLN A 24 -10.327 6.372 3.195 1.00 0.00 O ATOM 357 CB GLN A 24 -8.026 8.330 4.534 1.00 0.00 C ATOM 358 CG GLN A 24 -7.478 8.730 5.940 1.00 0.00 C ATOM 359 CD GLN A 24 -8.597 9.161 6.902 1.00 0.00 C ATOM 360 OE1 GLN A 24 -9.292 10.141 6.637 1.00 0.00 O ATOM 361 NE2 GLN A 24 -8.793 8.500 8.009 1.00 0.00 N ATOM 0 H GLN A 24 -6.354 6.622 4.829 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.118 6.623 5.342 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.269 8.516 3.772 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.891 8.944 4.282 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.937 7.887 6.370 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.763 9.545 5.830 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.216 7.688 8.227 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.523 8.795 8.657 1.00 0.00 H new ATOM 370 N ASP A 25 -8.304 6.216 2.205 1.00 0.00 N ATOM 371 CA ASP A 25 -8.829 5.766 0.933 1.00 0.00 C ATOM 372 C ASP A 25 -9.336 4.325 1.049 1.00 0.00 C ATOM 373 O ASP A 25 -10.426 4.000 0.588 1.00 0.00 O ATOM 374 CB ASP A 25 -7.695 5.840 -0.122 1.00 0.00 C ATOM 375 CG ASP A 25 -8.226 5.526 -1.525 1.00 0.00 C ATOM 376 OD1 ASP A 25 -9.007 6.318 -2.030 1.00 0.00 O ATOM 377 OD2 ASP A 25 -7.859 4.496 -2.073 1.00 0.00 O ATOM 0 H ASP A 25 -7.288 6.303 2.236 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.662 6.402 0.634 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.249 6.835 -0.113 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.906 5.135 0.138 1.00 0.00 H new ATOM 382 N LEU A 26 -8.471 3.460 1.645 1.00 0.00 N ATOM 383 CA LEU A 26 -8.768 1.998 1.760 1.00 0.00 C ATOM 384 C LEU A 26 -9.990 1.736 2.632 1.00 0.00 C ATOM 385 O LEU A 26 -10.747 0.787 2.365 1.00 0.00 O ATOM 386 CB LEU A 26 -7.548 1.195 2.300 1.00 0.00 C ATOM 387 CG LEU A 26 -6.323 1.188 1.291 1.00 0.00 C ATOM 388 CD1 LEU A 26 -5.002 0.920 2.058 1.00 0.00 C ATOM 389 CD2 LEU A 26 -6.493 0.088 0.199 1.00 0.00 C ATOM 0 H LEU A 26 -7.577 3.739 2.048 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.984 1.651 0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.228 1.623 3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.854 0.168 2.500 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.290 2.166 0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.168 0.917 1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.848 1.702 2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.060 -0.048 2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.637 0.110 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.555 -0.891 0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.406 0.275 -0.367 1.00 0.00 H new ATOM 401 N LYS A 27 -10.209 2.573 3.655 1.00 0.00 N ATOM 402 CA LYS A 27 -11.384 2.409 4.507 1.00 0.00 C ATOM 403 C LYS A 27 -12.665 2.415 3.626 1.00 0.00 C ATOM 404 O LYS A 27 -13.537 1.558 3.761 1.00 0.00 O ATOM 405 CB LYS A 27 -11.372 3.576 5.504 1.00 0.00 C ATOM 406 CG LYS A 27 -12.557 3.483 6.498 1.00 0.00 C ATOM 407 CD LYS A 27 -12.425 4.561 7.614 1.00 0.00 C ATOM 408 CE LYS A 27 -12.389 6.009 7.040 1.00 0.00 C ATOM 409 NZ LYS A 27 -12.696 6.955 8.153 1.00 0.00 N ATOM 0 H LYS A 27 -9.601 3.352 3.906 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.371 1.463 5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.432 3.576 6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.423 4.520 4.962 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.498 3.618 5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.585 2.490 6.946 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.262 4.468 8.306 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.516 4.378 8.187 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.409 6.226 6.615 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.117 6.118 6.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.678 7.931 7.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.639 6.745 8.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.985 6.849 8.904 1.00 0.00 H new ATOM 423 N GLY A 28 -12.736 3.379 2.703 1.00 0.00 N ATOM 424 CA GLY A 28 -13.870 3.508 1.772 1.00 0.00 C ATOM 425 C GLY A 28 -14.037 2.257 0.889 1.00 0.00 C ATOM 426 O GLY A 28 -15.157 1.871 0.552 1.00 0.00 O ATOM 0 H GLY A 28 -12.015 4.090 2.577 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.786 3.677 2.338 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -13.721 4.382 1.138 1.00 0.00 H new ATOM 430 N LYS A 29 -12.907 1.644 0.503 1.00 0.00 N ATOM 431 CA LYS A 29 -12.903 0.442 -0.359 1.00 0.00 C ATOM 432 C LYS A 29 -13.443 -0.787 0.399 1.00 0.00 C ATOM 433 O LYS A 29 -13.570 -1.880 -0.160 1.00 0.00 O ATOM 434 CB LYS A 29 -11.447 0.165 -0.840 1.00 0.00 C ATOM 435 CG LYS A 29 -10.794 1.395 -1.546 1.00 0.00 C ATOM 436 CD LYS A 29 -11.502 1.718 -2.887 1.00 0.00 C ATOM 437 CE LYS A 29 -10.858 2.923 -3.593 1.00 0.00 C ATOM 438 NZ LYS A 29 -11.573 3.130 -4.884 1.00 0.00 N ATOM 0 H LYS A 29 -11.976 1.961 0.774 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.553 0.623 -1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.836 -0.123 0.016 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.452 -0.681 -1.527 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.843 2.263 -0.888 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.739 1.194 -1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.458 0.847 -3.541 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.556 1.925 -2.702 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.930 3.814 -2.969 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.798 2.741 -3.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.157 3.941 -5.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.482 2.277 -5.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.579 3.317 -4.698 1.00 0.00 H new ATOM 452 N GLY A 30 -13.807 -0.573 1.652 1.00 0.00 N ATOM 453 CA GLY A 30 -14.389 -1.621 2.501 1.00 0.00 C ATOM 454 C GLY A 30 -13.348 -2.657 2.897 1.00 0.00 C ATOM 455 O GLY A 30 -13.702 -3.774 3.290 1.00 0.00 O ATOM 0 H GLY A 30 -13.711 0.329 2.118 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.815 -1.170 3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.206 -2.109 1.970 1.00 0.00 H new ATOM 459 N HIS A 31 -12.054 -2.296 2.820 1.00 0.00 N ATOM 460 CA HIS A 31 -10.962 -3.216 3.179 1.00 0.00 C ATOM 461 C HIS A 31 -11.013 -3.496 4.677 1.00 0.00 C ATOM 462 O HIS A 31 -11.703 -2.801 5.425 1.00 0.00 O ATOM 463 CB HIS A 31 -9.599 -2.610 2.758 1.00 0.00 C ATOM 464 CG HIS A 31 -9.424 -2.737 1.268 1.00 0.00 C ATOM 465 ND1 HIS A 31 -10.497 -2.648 0.411 1.00 0.00 N ATOM 466 CD2 HIS A 31 -8.332 -3.019 0.481 1.00 0.00 C ATOM 467 CE1 HIS A 31 -10.048 -2.874 -0.826 1.00 0.00 C ATOM 468 NE2 HIS A 31 -8.730 -3.101 -0.850 1.00 0.00 N ATOM 0 H HIS A 31 -11.741 -1.375 2.513 1.00 0.00 H new ATOM 0 HA HIS A 31 -11.080 -4.161 2.649 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.551 -1.561 3.051 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -8.787 -3.123 3.274 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.323 -3.156 0.840 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -10.676 -2.874 -1.705 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -8.146 -3.292 -1.664 1.00 0.00 H new ATOM 476 N THR A 32 -10.328 -4.575 5.091 1.00 0.00 N ATOM 477 CA THR A 32 -10.348 -5.013 6.491 1.00 0.00 C ATOM 478 C THR A 32 -9.213 -4.361 7.230 1.00 0.00 C ATOM 479 O THR A 32 -8.237 -3.945 6.622 1.00 0.00 O ATOM 480 CB THR A 32 -10.232 -6.547 6.538 1.00 0.00 C ATOM 481 OG1 THR A 32 -8.992 -6.917 5.980 1.00 0.00 O ATOM 482 CG2 THR A 32 -11.371 -7.201 5.719 1.00 0.00 C ATOM 0 H THR A 32 -9.757 -5.156 4.477 1.00 0.00 H new ATOM 0 HA THR A 32 -11.283 -4.720 6.969 1.00 0.00 H new ATOM 0 HB THR A 32 -10.306 -6.884 7.572 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.516 -7.506 6.602 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.274 -8.286 5.763 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.334 -6.906 6.135 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.308 -6.873 4.682 1.00 0.00 H new ATOM 490 N ASP A 33 -9.329 -4.286 8.556 1.00 0.00 N ATOM 491 CA ASP A 33 -8.292 -3.668 9.370 1.00 0.00 C ATOM 492 C ASP A 33 -6.986 -4.441 9.247 1.00 0.00 C ATOM 493 O ASP A 33 -5.943 -3.849 9.065 1.00 0.00 O ATOM 494 CB ASP A 33 -8.765 -3.646 10.842 1.00 0.00 C ATOM 495 CG ASP A 33 -9.082 -5.074 11.308 1.00 0.00 C ATOM 496 OD1 ASP A 33 -9.838 -5.744 10.627 1.00 0.00 O ATOM 497 OD2 ASP A 33 -8.548 -5.480 12.332 1.00 0.00 O ATOM 0 H ASP A 33 -10.126 -4.644 9.083 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.114 -2.650 9.024 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.992 -3.210 11.475 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.650 -3.017 10.940 1.00 0.00 H new ATOM 502 N ALA A 34 -7.053 -5.772 9.322 1.00 0.00 N ATOM 503 CA ALA A 34 -5.837 -6.588 9.231 1.00 0.00 C ATOM 504 C ALA A 34 -5.108 -6.330 7.902 1.00 0.00 C ATOM 505 O ALA A 34 -3.884 -6.202 7.882 1.00 0.00 O ATOM 506 CB ALA A 34 -6.214 -8.085 9.341 1.00 0.00 C ATOM 0 H ALA A 34 -7.917 -6.301 9.443 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.169 -6.316 10.048 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.312 -8.693 9.274 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.704 -8.267 10.297 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.892 -8.350 8.530 1.00 0.00 H new ATOM 512 N GLU A 35 -5.856 -6.323 6.789 1.00 0.00 N ATOM 513 CA GLU A 35 -5.261 -6.158 5.446 1.00 0.00 C ATOM 514 C GLU A 35 -4.663 -4.773 5.286 1.00 0.00 C ATOM 515 O GLU A 35 -3.558 -4.624 4.785 1.00 0.00 O ATOM 516 CB GLU A 35 -6.369 -6.382 4.377 1.00 0.00 C ATOM 517 CG GLU A 35 -6.819 -7.878 4.306 1.00 0.00 C ATOM 518 CD GLU A 35 -5.712 -8.766 3.706 1.00 0.00 C ATOM 519 OE1 GLU A 35 -5.275 -8.468 2.608 1.00 0.00 O ATOM 520 OE2 GLU A 35 -5.326 -9.728 4.356 1.00 0.00 O ATOM 0 H GLU A 35 -6.870 -6.429 6.787 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.461 -6.888 5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.230 -5.755 4.610 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.000 -6.067 3.401 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.071 -8.232 5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.722 -7.960 3.701 1.00 0.00 H new ATOM 527 N ILE A 36 -5.386 -3.768 5.773 1.00 0.00 N ATOM 528 CA ILE A 36 -4.914 -2.383 5.695 1.00 0.00 C ATOM 529 C ILE A 36 -3.544 -2.288 6.392 1.00 0.00 C ATOM 530 O ILE A 36 -2.599 -1.704 5.858 1.00 0.00 O ATOM 531 CB ILE A 36 -5.969 -1.427 6.354 1.00 0.00 C ATOM 532 CG1 ILE A 36 -7.236 -1.339 5.426 1.00 0.00 C ATOM 533 CG2 ILE A 36 -5.384 0.005 6.595 1.00 0.00 C ATOM 534 CD1 ILE A 36 -8.453 -0.769 6.167 1.00 0.00 C ATOM 0 H ILE A 36 -6.294 -3.882 6.223 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.796 -2.075 4.656 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.242 -1.837 7.326 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.011 -0.712 4.563 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.476 -2.332 5.045 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.145 0.637 7.053 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.521 -0.061 7.258 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.078 0.438 5.643 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.305 -0.726 5.488 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.696 -1.410 7.014 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.224 0.235 6.525 1.00 0.00 H new ATOM 546 N GLU A 37 -3.473 -2.863 7.608 1.00 0.00 N ATOM 547 CA GLU A 37 -2.256 -2.838 8.416 1.00 0.00 C ATOM 548 C GLU A 37 -1.081 -3.399 7.671 1.00 0.00 C ATOM 549 O GLU A 37 -0.004 -2.825 7.675 1.00 0.00 O ATOM 550 CB GLU A 37 -2.451 -3.626 9.743 1.00 0.00 C ATOM 551 CG GLU A 37 -3.503 -2.896 10.591 1.00 0.00 C ATOM 552 CD GLU A 37 -3.807 -3.626 11.910 1.00 0.00 C ATOM 553 OE1 GLU A 37 -3.199 -4.653 12.170 1.00 0.00 O ATOM 554 OE2 GLU A 37 -4.646 -3.129 12.645 1.00 0.00 O ATOM 0 H GLU A 37 -4.253 -3.351 8.047 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.052 -1.792 8.645 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.774 -4.646 9.534 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.508 -3.695 10.285 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.152 -1.888 10.810 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.423 -2.795 10.015 1.00 0.00 H new ATOM 561 N ALA A 38 -1.303 -4.528 7.030 1.00 0.00 N ATOM 562 CA ALA A 38 -0.260 -5.194 6.277 1.00 0.00 C ATOM 563 C ALA A 38 0.246 -4.316 5.121 1.00 0.00 C ATOM 564 O ALA A 38 1.445 -4.283 4.850 1.00 0.00 O ATOM 565 CB ALA A 38 -0.850 -6.508 5.711 1.00 0.00 C ATOM 0 H ALA A 38 -2.204 -5.007 7.016 1.00 0.00 H new ATOM 0 HA ALA A 38 0.587 -5.394 6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.086 -7.033 5.138 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.185 -7.140 6.533 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.696 -6.278 5.063 1.00 0.00 H new ATOM 571 N ILE A 39 -0.696 -3.696 4.364 1.00 0.00 N ATOM 572 CA ILE A 39 -0.271 -2.932 3.143 1.00 0.00 C ATOM 573 C ILE A 39 0.624 -1.751 3.510 1.00 0.00 C ATOM 574 O ILE A 39 1.668 -1.555 2.897 1.00 0.00 O ATOM 575 CB ILE A 39 -1.565 -2.379 2.340 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.135 -3.462 1.329 1.00 0.00 C ATOM 577 CG2 ILE A 39 -1.268 -1.045 1.543 1.00 0.00 C ATOM 578 CD1 ILE A 39 -2.838 -4.617 2.041 1.00 0.00 C ATOM 0 H ILE A 39 -1.698 -3.701 4.553 1.00 0.00 H new ATOM 0 HA ILE A 39 0.291 -3.619 2.510 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.310 -2.165 3.106 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.835 -2.982 0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.318 -3.856 0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.171 -0.722 1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.951 -0.268 2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.477 -1.224 0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.208 -5.328 1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.134 -5.118 2.705 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.674 -4.230 2.624 1.00 0.00 H new ATOM 590 N PHE A 40 0.214 -0.967 4.503 1.00 0.00 N ATOM 591 CA PHE A 40 0.990 0.198 4.941 1.00 0.00 C ATOM 592 C PHE A 40 2.287 -0.234 5.586 1.00 0.00 C ATOM 593 O PHE A 40 3.331 0.364 5.382 1.00 0.00 O ATOM 594 CB PHE A 40 0.133 1.131 5.859 1.00 0.00 C ATOM 595 CG PHE A 40 0.521 0.980 7.331 1.00 0.00 C ATOM 596 CD1 PHE A 40 -0.119 0.022 8.097 1.00 0.00 C ATOM 597 CD2 PHE A 40 1.554 1.746 7.885 1.00 0.00 C ATOM 598 CE1 PHE A 40 0.248 -0.202 9.415 1.00 0.00 C ATOM 599 CE2 PHE A 40 1.920 1.542 9.210 1.00 0.00 C ATOM 600 CZ PHE A 40 1.271 0.564 9.983 1.00 0.00 C ATOM 0 H PHE A 40 -0.651 -1.114 5.022 1.00 0.00 H new ATOM 0 HA PHE A 40 1.258 0.790 4.066 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.266 2.168 5.551 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.924 0.895 5.734 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.917 -0.561 7.661 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.062 2.489 7.288 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.252 -0.961 9.998 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.707 2.138 9.648 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.561 0.405 11.011 1.00 0.00 H new ATOM 610 N THR A 41 2.175 -1.255 6.453 1.00 0.00 N ATOM 611 CA THR A 41 3.319 -1.737 7.209 1.00 0.00 C ATOM 612 C THR A 41 4.448 -2.190 6.284 1.00 0.00 C ATOM 613 O THR A 41 5.615 -1.840 6.499 1.00 0.00 O ATOM 614 CB THR A 41 2.820 -2.908 8.089 1.00 0.00 C ATOM 615 OG1 THR A 41 1.955 -2.388 9.080 1.00 0.00 O ATOM 616 CG2 THR A 41 3.961 -3.653 8.781 1.00 0.00 C ATOM 0 H THR A 41 1.305 -1.753 6.639 1.00 0.00 H new ATOM 0 HA THR A 41 3.730 -0.938 7.826 1.00 0.00 H new ATOM 0 HB THR A 41 2.310 -3.618 7.437 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.174 -1.980 8.651 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.553 -4.464 9.385 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.636 -4.064 8.030 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.509 -2.963 9.423 1.00 0.00 H new ATOM 624 N LYS A 42 4.093 -2.961 5.268 1.00 0.00 N ATOM 625 CA LYS A 42 5.077 -3.462 4.319 1.00 0.00 C ATOM 626 C LYS A 42 5.593 -2.330 3.438 1.00 0.00 C ATOM 627 O LYS A 42 6.805 -2.217 3.219 1.00 0.00 O ATOM 628 CB LYS A 42 4.375 -4.546 3.454 1.00 0.00 C ATOM 629 CG LYS A 42 4.124 -5.839 4.283 1.00 0.00 C ATOM 630 CD LYS A 42 3.415 -6.912 3.414 1.00 0.00 C ATOM 631 CE LYS A 42 3.147 -8.182 4.254 1.00 0.00 C ATOM 632 NZ LYS A 42 4.441 -8.687 4.792 1.00 0.00 N ATOM 0 H LYS A 42 3.134 -3.253 5.079 1.00 0.00 H new ATOM 0 HA LYS A 42 5.934 -3.885 4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.427 -4.160 3.078 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.991 -4.779 2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.071 -6.230 4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.513 -5.606 5.155 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.475 -6.516 3.028 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.034 -7.160 2.552 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.462 -7.956 5.071 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.670 -8.946 3.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.443 -9.727 4.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.223 -8.328 4.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.561 -8.359 5.771 1.00 0.00 H new ATOM 646 N TYR A 43 4.676 -1.524 2.866 1.00 0.00 N ATOM 647 CA TYR A 43 5.116 -0.465 1.937 1.00 0.00 C ATOM 648 C TYR A 43 5.799 0.660 2.700 1.00 0.00 C ATOM 649 O TYR A 43 6.740 1.244 2.188 1.00 0.00 O ATOM 650 CB TYR A 43 3.898 0.112 1.133 1.00 0.00 C ATOM 651 CG TYR A 43 3.473 -0.809 -0.040 1.00 0.00 C ATOM 652 CD1 TYR A 43 3.132 -2.156 0.190 1.00 0.00 C ATOM 653 CD2 TYR A 43 3.436 -0.310 -1.372 1.00 0.00 C ATOM 654 CE1 TYR A 43 2.769 -2.976 -0.887 1.00 0.00 C ATOM 655 CE2 TYR A 43 3.071 -1.138 -2.422 1.00 0.00 C ATOM 656 CZ TYR A 43 2.745 -2.457 -2.183 1.00 0.00 C ATOM 657 OH TYR A 43 2.397 -3.245 -3.238 1.00 0.00 O ATOM 0 H TYR A 43 3.669 -1.580 3.021 1.00 0.00 H new ATOM 0 HA TYR A 43 5.824 -0.906 1.236 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.053 0.249 1.808 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.157 1.096 0.743 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.150 -2.556 1.193 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.694 0.721 -1.566 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.508 -4.010 -0.714 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.042 -0.750 -3.429 1.00 0.00 H new ATOM 0 HH TYR A 43 2.200 -2.682 -4.016 1.00 0.00 H new ATOM 667 N ASP A 44 5.368 0.929 3.927 1.00 0.00 N ATOM 668 CA ASP A 44 5.959 1.990 4.773 1.00 0.00 C ATOM 669 C ASP A 44 6.730 1.313 5.918 1.00 0.00 C ATOM 670 O ASP A 44 6.127 0.649 6.765 1.00 0.00 O ATOM 671 CB ASP A 44 4.814 2.910 5.310 1.00 0.00 C ATOM 672 CG ASP A 44 3.697 3.095 4.266 1.00 0.00 C ATOM 673 OD1 ASP A 44 4.025 3.278 3.105 1.00 0.00 O ATOM 674 OD2 ASP A 44 2.535 3.051 4.644 1.00 0.00 O ATOM 0 H ASP A 44 4.601 0.426 4.374 1.00 0.00 H new ATOM 0 HA ASP A 44 6.650 2.614 4.206 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.395 2.477 6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.225 3.883 5.580 1.00 0.00 H new ATOM 679 N GLN A 45 8.068 1.429 5.900 1.00 0.00 N ATOM 680 CA GLN A 45 8.902 0.759 6.905 1.00 0.00 C ATOM 681 C GLN A 45 8.611 1.292 8.322 1.00 0.00 C ATOM 682 O GLN A 45 8.345 0.493 9.224 1.00 0.00 O ATOM 683 CB GLN A 45 10.407 1.008 6.535 1.00 0.00 C ATOM 684 CG GLN A 45 10.875 0.101 5.355 1.00 0.00 C ATOM 685 CD GLN A 45 9.989 0.287 4.132 1.00 0.00 C ATOM 686 OE1 GLN A 45 10.349 1.017 3.221 1.00 0.00 O ATOM 687 NE2 GLN A 45 8.838 -0.328 4.071 1.00 0.00 N ATOM 0 H GLN A 45 8.587 1.973 5.210 1.00 0.00 H new ATOM 0 HA GLN A 45 8.678 -0.308 6.906 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.546 2.055 6.265 1.00 0.00 H new ATOM 0 HB3 GLN A 45 11.031 0.818 7.408 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.908 0.338 5.098 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.855 -0.944 5.666 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.544 -0.936 4.835 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.234 -0.200 3.259 1.00 0.00 H new ATOM 696 N ASP A 46 8.629 2.635 8.522 1.00 0.00 N ATOM 697 CA ASP A 46 8.335 3.243 9.838 1.00 0.00 C ATOM 698 C ASP A 46 6.945 3.906 9.843 1.00 0.00 C ATOM 699 O ASP A 46 6.522 4.437 10.873 1.00 0.00 O ATOM 700 CB ASP A 46 9.437 4.301 10.101 1.00 0.00 C ATOM 701 CG ASP A 46 10.819 3.636 10.076 1.00 0.00 C ATOM 702 OD1 ASP A 46 10.938 2.541 10.604 1.00 0.00 O ATOM 703 OD2 ASP A 46 11.739 4.223 9.524 1.00 0.00 O ATOM 0 H ASP A 46 8.844 3.312 7.790 1.00 0.00 H new ATOM 0 HA ASP A 46 8.327 2.480 10.617 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.388 5.085 9.345 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.271 4.778 11.067 1.00 0.00 H new ATOM 708 N GLY A 47 6.242 3.891 8.692 1.00 0.00 N ATOM 709 CA GLY A 47 4.907 4.525 8.594 1.00 0.00 C ATOM 710 C GLY A 47 4.886 5.939 9.181 1.00 0.00 C ATOM 711 O GLY A 47 3.859 6.385 9.682 1.00 0.00 O ATOM 0 H GLY A 47 6.568 3.455 7.829 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.603 4.565 7.548 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.176 3.907 9.115 1.00 0.00 H new ATOM 715 N ASP A 48 6.056 6.609 9.165 1.00 0.00 N ATOM 716 CA ASP A 48 6.229 7.982 9.731 1.00 0.00 C ATOM 717 C ASP A 48 6.632 9.005 8.656 1.00 0.00 C ATOM 718 O ASP A 48 6.607 10.214 8.903 1.00 0.00 O ATOM 719 CB ASP A 48 7.328 7.920 10.820 1.00 0.00 C ATOM 720 CG ASP A 48 7.447 9.258 11.566 1.00 0.00 C ATOM 721 OD1 ASP A 48 6.493 9.629 12.227 1.00 0.00 O ATOM 722 OD2 ASP A 48 8.487 9.893 11.454 1.00 0.00 O ATOM 0 H ASP A 48 6.911 6.224 8.763 1.00 0.00 H new ATOM 0 HA ASP A 48 5.276 8.308 10.148 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.097 7.125 11.529 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.285 7.670 10.361 1.00 0.00 H new ATOM 727 N GLN A 49 7.051 8.503 7.490 1.00 0.00 N ATOM 728 CA GLN A 49 7.527 9.346 6.369 1.00 0.00 C ATOM 729 C GLN A 49 6.743 9.010 5.096 1.00 0.00 C ATOM 730 O GLN A 49 5.983 8.040 5.051 1.00 0.00 O ATOM 731 CB GLN A 49 9.078 9.133 6.147 1.00 0.00 C ATOM 732 CG GLN A 49 9.512 7.659 6.415 1.00 0.00 C ATOM 733 CD GLN A 49 8.727 6.678 5.539 1.00 0.00 C ATOM 734 OE1 GLN A 49 8.649 6.862 4.325 1.00 0.00 O ATOM 735 NE2 GLN A 49 8.145 5.641 6.086 1.00 0.00 N ATOM 0 H GLN A 49 7.073 7.503 7.289 1.00 0.00 H new ATOM 0 HA GLN A 49 7.359 10.395 6.613 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.338 9.407 5.125 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.633 9.800 6.807 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.579 7.551 6.219 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.355 7.417 7.466 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.211 5.491 7.093 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.625 4.983 5.506 1.00 0.00 H new ATOM 744 N GLU A 50 6.959 9.834 4.065 1.00 0.00 N ATOM 745 CA GLU A 50 6.327 9.694 2.757 1.00 0.00 C ATOM 746 C GLU A 50 7.000 8.553 2.017 1.00 0.00 C ATOM 747 O GLU A 50 8.183 8.288 2.233 1.00 0.00 O ATOM 748 CB GLU A 50 6.475 11.002 1.936 1.00 0.00 C ATOM 749 CG GLU A 50 5.747 12.173 2.648 1.00 0.00 C ATOM 750 CD GLU A 50 5.849 13.477 1.843 1.00 0.00 C ATOM 751 OE1 GLU A 50 6.441 13.467 0.771 1.00 0.00 O ATOM 752 OE2 GLU A 50 5.324 14.471 2.314 1.00 0.00 O ATOM 0 H GLU A 50 7.592 10.632 4.122 1.00 0.00 H new ATOM 0 HA GLU A 50 5.265 9.489 2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.531 11.243 1.812 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.061 10.861 0.938 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.698 11.915 2.793 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.178 12.322 3.638 1.00 0.00 H new ATOM 759 N LEU A 51 6.229 7.852 1.181 1.00 0.00 N ATOM 760 CA LEU A 51 6.750 6.696 0.453 1.00 0.00 C ATOM 761 C LEU A 51 7.311 7.121 -0.907 1.00 0.00 C ATOM 762 O LEU A 51 6.632 7.746 -1.724 1.00 0.00 O ATOM 763 CB LEU A 51 5.588 5.705 0.209 1.00 0.00 C ATOM 764 CG LEU A 51 6.074 4.359 -0.444 1.00 0.00 C ATOM 765 CD1 LEU A 51 6.931 3.519 0.542 1.00 0.00 C ATOM 766 CD2 LEU A 51 4.840 3.546 -0.925 1.00 0.00 C ATOM 0 H LEU A 51 5.249 8.064 0.994 1.00 0.00 H new ATOM 0 HA LEU A 51 7.545 6.238 1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.094 5.488 1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.846 6.172 -0.438 1.00 0.00 H new ATOM 0 HG LEU A 51 6.709 4.599 -1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.248 2.597 0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.809 4.092 0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.338 3.278 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.173 2.612 -1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.195 3.326 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.285 4.128 -1.660 1.00 0.00 H new ATOM 778 N THR A 52 8.590 6.792 -1.100 1.00 0.00 N ATOM 779 CA THR A 52 9.324 7.130 -2.293 1.00 0.00 C ATOM 780 C THR A 52 9.001 6.150 -3.383 1.00 0.00 C ATOM 781 O THR A 52 8.204 5.230 -3.215 1.00 0.00 O ATOM 782 CB THR A 52 10.844 7.181 -1.976 1.00 0.00 C ATOM 783 OG1 THR A 52 11.568 7.446 -3.168 1.00 0.00 O ATOM 784 CG2 THR A 52 11.339 5.847 -1.379 1.00 0.00 C ATOM 0 H THR A 52 9.141 6.276 -0.414 1.00 0.00 H new ATOM 0 HA THR A 52 9.030 8.118 -2.647 1.00 0.00 H new ATOM 0 HB THR A 52 11.008 7.972 -1.245 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.329 8.334 -3.506 1.00 0.00 H new ATOM 0 HG21 THR A 52 12.406 5.916 -1.169 1.00 0.00 H new ATOM 0 HG22 THR A 52 10.800 5.640 -0.455 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.161 5.041 -2.091 1.00 0.00 H new ATOM 792 N GLU A 53 9.606 6.416 -4.510 1.00 0.00 N ATOM 793 CA GLU A 53 9.403 5.651 -5.711 1.00 0.00 C ATOM 794 C GLU A 53 10.083 4.296 -5.611 1.00 0.00 C ATOM 795 O GLU A 53 9.492 3.274 -5.926 1.00 0.00 O ATOM 796 CB GLU A 53 9.956 6.456 -6.919 1.00 0.00 C ATOM 797 CG GLU A 53 9.161 7.780 -7.136 1.00 0.00 C ATOM 798 CD GLU A 53 7.686 7.513 -7.464 1.00 0.00 C ATOM 799 OE1 GLU A 53 7.432 6.733 -8.372 1.00 0.00 O ATOM 800 OE2 GLU A 53 6.829 8.071 -6.795 1.00 0.00 O ATOM 0 H GLU A 53 10.266 7.185 -4.621 1.00 0.00 H new ATOM 0 HA GLU A 53 8.337 5.472 -5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.009 6.685 -6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.901 5.845 -7.820 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.228 8.395 -6.239 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.616 8.348 -7.947 1.00 0.00 H new ATOM 807 N HIS A 54 11.371 4.303 -5.267 1.00 0.00 N ATOM 808 CA HIS A 54 12.148 3.043 -5.267 1.00 0.00 C ATOM 809 C HIS A 54 11.452 2.007 -4.377 1.00 0.00 C ATOM 810 O HIS A 54 11.207 0.881 -4.813 1.00 0.00 O ATOM 811 CB HIS A 54 13.598 3.296 -4.762 1.00 0.00 C ATOM 812 CG HIS A 54 14.409 2.017 -4.824 1.00 0.00 C ATOM 813 ND1 HIS A 54 14.437 1.110 -3.779 1.00 0.00 N ATOM 814 CD2 HIS A 54 15.184 1.476 -5.817 1.00 0.00 C ATOM 815 CE1 HIS A 54 15.207 0.071 -4.164 1.00 0.00 C ATOM 816 NE2 HIS A 54 15.687 0.245 -5.400 1.00 0.00 N ATOM 0 H HIS A 54 11.894 5.134 -4.991 1.00 0.00 H new ATOM 0 HA HIS A 54 12.201 2.662 -6.287 1.00 0.00 H new ATOM 0 HB2 HIS A 54 14.073 4.065 -5.371 1.00 0.00 H new ATOM 0 HB3 HIS A 54 13.574 3.670 -3.738 1.00 0.00 H new ATOM 0 HD2 HIS A 54 15.376 1.934 -6.776 1.00 0.00 H new ATOM 0 HE1 HIS A 54 15.410 -0.794 -3.550 1.00 0.00 H new ATOM 0 HE2 HIS A 54 16.291 -0.387 -5.925 1.00 0.00 H new ATOM 824 N GLU A 55 11.106 2.392 -3.141 1.00 0.00 N ATOM 825 CA GLU A 55 10.417 1.483 -2.219 1.00 0.00 C ATOM 826 C GLU A 55 9.061 1.068 -2.811 1.00 0.00 C ATOM 827 O GLU A 55 8.735 -0.108 -2.859 1.00 0.00 O ATOM 828 CB GLU A 55 10.218 2.209 -0.862 1.00 0.00 C ATOM 829 CG GLU A 55 9.667 1.248 0.235 1.00 0.00 C ATOM 830 CD GLU A 55 10.700 0.174 0.618 1.00 0.00 C ATOM 831 OE1 GLU A 55 11.887 0.459 0.542 1.00 0.00 O ATOM 832 OE2 GLU A 55 10.287 -0.919 0.971 1.00 0.00 O ATOM 0 H GLU A 55 11.291 3.320 -2.760 1.00 0.00 H new ATOM 0 HA GLU A 55 11.012 0.583 -2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.168 2.630 -0.532 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.529 3.043 -0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.394 1.823 1.120 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.758 0.767 -0.125 1.00 0.00 H new ATOM 839 N HIS A 56 8.278 2.061 -3.261 1.00 0.00 N ATOM 840 CA HIS A 56 6.954 1.798 -3.838 1.00 0.00 C ATOM 841 C HIS A 56 7.046 0.861 -5.058 1.00 0.00 C ATOM 842 O HIS A 56 6.372 -0.165 -5.090 1.00 0.00 O ATOM 843 CB HIS A 56 6.296 3.134 -4.281 1.00 0.00 C ATOM 844 CG HIS A 56 4.950 2.880 -4.911 1.00 0.00 C ATOM 845 ND1 HIS A 56 3.995 2.086 -4.297 1.00 0.00 N ATOM 846 CD2 HIS A 56 4.421 3.243 -6.120 1.00 0.00 C ATOM 847 CE1 HIS A 56 2.955 1.990 -5.138 1.00 0.00 C ATOM 848 NE2 HIS A 56 3.165 2.678 -6.264 1.00 0.00 N ATOM 0 H HIS A 56 8.538 3.047 -3.236 1.00 0.00 H new ATOM 0 HA HIS A 56 6.350 1.314 -3.070 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.182 3.792 -3.420 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.945 3.647 -4.991 1.00 0.00 H new ATOM 0 HD1 HIS A 56 4.069 1.654 -3.376 1.00 0.00 H new ATOM 0 HD2 HIS A 56 4.908 3.873 -6.849 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.058 1.426 -4.931 1.00 0.00 H new ATOM 856 N GLN A 57 7.884 1.220 -6.055 1.00 0.00 N ATOM 857 CA GLN A 57 8.017 0.398 -7.265 1.00 0.00 C ATOM 858 C GLN A 57 8.442 -1.043 -6.911 1.00 0.00 C ATOM 859 O GLN A 57 8.007 -1.988 -7.576 1.00 0.00 O ATOM 860 CB GLN A 57 9.041 1.061 -8.266 1.00 0.00 C ATOM 861 CG GLN A 57 8.366 2.099 -9.245 1.00 0.00 C ATOM 862 CD GLN A 57 8.154 3.501 -8.647 1.00 0.00 C ATOM 863 OE1 GLN A 57 7.556 3.650 -7.499 1.00 0.00 O flip ATOM 864 NE2 GLN A 57 8.505 4.495 -9.285 1.00 0.00 N flip ATOM 0 H GLN A 57 8.466 2.058 -6.043 1.00 0.00 H new ATOM 0 HA GLN A 57 7.044 0.344 -7.754 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.823 1.563 -7.697 1.00 0.00 H new ATOM 0 HB3 GLN A 57 9.525 0.280 -8.852 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.983 2.189 -10.139 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.401 1.704 -9.562 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.974 4.385 -10.184 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.327 5.428 -8.914 1.00 0.00 H new ATOM 873 N GLN A 58 9.303 -1.202 -5.894 1.00 0.00 N ATOM 874 CA GLN A 58 9.780 -2.540 -5.512 1.00 0.00 C ATOM 875 C GLN A 58 8.611 -3.404 -4.990 1.00 0.00 C ATOM 876 O GLN A 58 8.372 -4.508 -5.488 1.00 0.00 O ATOM 877 CB GLN A 58 10.881 -2.392 -4.422 1.00 0.00 C ATOM 878 CG GLN A 58 11.653 -3.728 -4.231 1.00 0.00 C ATOM 879 CD GLN A 58 12.679 -3.601 -3.103 1.00 0.00 C ATOM 880 OE1 GLN A 58 12.395 -2.994 -2.071 1.00 0.00 O ATOM 881 NE2 GLN A 58 13.855 -4.146 -3.239 1.00 0.00 N ATOM 0 H GLN A 58 9.677 -0.438 -5.331 1.00 0.00 H new ATOM 0 HA GLN A 58 10.199 -3.040 -6.385 1.00 0.00 H new ATOM 0 HB2 GLN A 58 11.577 -1.602 -4.706 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.426 -2.091 -3.478 1.00 0.00 H new ATOM 0 HG2 GLN A 58 10.951 -4.530 -4.003 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.156 -3.999 -5.159 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.088 -4.649 -4.095 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.542 -4.070 -2.489 1.00 0.00 H new ATOM 890 N MET A 59 7.880 -2.894 -3.975 1.00 0.00 N ATOM 891 CA MET A 59 6.746 -3.626 -3.391 1.00 0.00 C ATOM 892 C MET A 59 5.660 -3.828 -4.426 1.00 0.00 C ATOM 893 O MET A 59 4.953 -4.837 -4.411 1.00 0.00 O ATOM 894 CB MET A 59 6.189 -2.826 -2.188 1.00 0.00 C ATOM 895 CG MET A 59 7.316 -2.555 -1.163 1.00 0.00 C ATOM 896 SD MET A 59 7.827 -4.111 -0.346 1.00 0.00 S ATOM 897 CE MET A 59 9.475 -4.310 -1.079 1.00 0.00 C ATOM 0 H MET A 59 8.057 -1.984 -3.549 1.00 0.00 H new ATOM 0 HA MET A 59 7.086 -4.605 -3.053 1.00 0.00 H new ATOM 0 HB2 MET A 59 5.766 -1.883 -2.533 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.381 -3.383 -1.713 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.171 -2.103 -1.665 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.971 -1.841 -0.415 1.00 0.00 H new ATOM 0 HE1 MET A 59 9.939 -5.217 -0.691 1.00 0.00 H new ATOM 0 HE2 MET A 59 9.385 -4.384 -2.163 1.00 0.00 H new ATOM 0 HE3 MET A 59 10.093 -3.449 -0.824 1.00 0.00 H new ATOM 907 N ARG A 60 5.506 -2.838 -5.306 1.00 0.00 N ATOM 908 CA ARG A 60 4.466 -2.908 -6.325 1.00 0.00 C ATOM 909 C ARG A 60 4.687 -4.149 -7.211 1.00 0.00 C ATOM 910 O ARG A 60 3.746 -4.908 -7.458 1.00 0.00 O ATOM 911 CB ARG A 60 4.539 -1.627 -7.185 1.00 0.00 C ATOM 912 CG ARG A 60 3.372 -1.586 -8.200 1.00 0.00 C ATOM 913 CD ARG A 60 3.443 -0.318 -9.058 1.00 0.00 C ATOM 914 NE ARG A 60 4.645 -0.337 -9.911 1.00 0.00 N ATOM 915 CZ ARG A 60 4.964 0.678 -10.737 1.00 0.00 C ATOM 916 NH1 ARG A 60 4.192 1.733 -10.833 1.00 0.00 N ATOM 917 NH2 ARG A 60 6.053 0.611 -11.454 1.00 0.00 N ATOM 0 H ARG A 60 6.078 -1.994 -5.333 1.00 0.00 H new ATOM 0 HA ARG A 60 3.485 -2.986 -5.856 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.500 -0.748 -6.542 1.00 0.00 H new ATOM 0 HB3 ARG A 60 5.491 -1.592 -7.715 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.410 -2.467 -8.841 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.421 -1.619 -7.669 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.551 -0.242 -9.679 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.460 0.562 -8.415 1.00 0.00 H new ATOM 0 HE ARG A 60 5.259 -1.151 -9.874 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.338 1.792 -10.278 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.445 2.495 -11.462 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.658 -0.207 -11.387 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.299 1.377 -12.081 1.00 0.00 H new ATOM 931 N ASP A 61 5.926 -4.346 -7.693 1.00 0.00 N ATOM 932 CA ASP A 61 6.258 -5.491 -8.547 1.00 0.00 C ATOM 933 C ASP A 61 6.021 -6.790 -7.779 1.00 0.00 C ATOM 934 O ASP A 61 5.540 -7.769 -8.337 1.00 0.00 O ATOM 935 CB ASP A 61 7.750 -5.385 -8.943 1.00 0.00 C ATOM 936 CG ASP A 61 8.008 -4.150 -9.825 1.00 0.00 C ATOM 937 OD1 ASP A 61 7.191 -3.883 -10.689 1.00 0.00 O ATOM 938 OD2 ASP A 61 9.024 -3.502 -9.623 1.00 0.00 O ATOM 0 H ASP A 61 6.712 -3.724 -7.503 1.00 0.00 H new ATOM 0 HA ASP A 61 5.631 -5.490 -9.439 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.364 -5.327 -8.044 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.052 -6.286 -9.478 1.00 0.00 H new ATOM 943 N ASP A 62 6.345 -6.766 -6.478 1.00 0.00 N ATOM 944 CA ASP A 62 6.153 -7.928 -5.606 1.00 0.00 C ATOM 945 C ASP A 62 4.663 -8.209 -5.475 1.00 0.00 C ATOM 946 O ASP A 62 4.238 -9.357 -5.481 1.00 0.00 O ATOM 947 CB ASP A 62 6.760 -7.666 -4.195 1.00 0.00 C ATOM 948 CG ASP A 62 6.676 -8.926 -3.313 1.00 0.00 C ATOM 949 OD1 ASP A 62 7.123 -9.969 -3.764 1.00 0.00 O ATOM 950 OD2 ASP A 62 6.160 -8.830 -2.208 1.00 0.00 O ATOM 0 H ASP A 62 6.742 -5.952 -6.008 1.00 0.00 H new ATOM 0 HA ASP A 62 6.660 -8.787 -6.045 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.800 -7.357 -4.295 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.228 -6.845 -3.714 1.00 0.00 H new ATOM 955 N LEU A 63 3.873 -7.132 -5.354 1.00 0.00 N ATOM 956 CA LEU A 63 2.419 -7.259 -5.196 1.00 0.00 C ATOM 957 C LEU A 63 1.793 -7.983 -6.388 1.00 0.00 C ATOM 958 O LEU A 63 1.032 -8.928 -6.205 1.00 0.00 O ATOM 959 CB LEU A 63 1.759 -5.848 -5.046 1.00 0.00 C ATOM 960 CG LEU A 63 0.316 -5.932 -4.386 1.00 0.00 C ATOM 961 CD1 LEU A 63 0.414 -5.969 -2.832 1.00 0.00 C ATOM 962 CD2 LEU A 63 -0.557 -4.729 -4.819 1.00 0.00 C ATOM 0 H LEU A 63 4.214 -6.171 -5.363 1.00 0.00 H new ATOM 0 HA LEU A 63 2.238 -7.845 -4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.400 -5.211 -4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.682 -5.378 -6.026 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.150 -6.855 -4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.587 -6.026 -2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.990 -6.842 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.908 -5.065 -2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.540 -4.807 -4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.080 -3.801 -4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.666 -4.730 -5.904 1.00 0.00 H new ATOM 974 N GLU A 64 2.124 -7.542 -7.618 1.00 0.00 N ATOM 975 CA GLU A 64 1.575 -8.175 -8.814 1.00 0.00 C ATOM 976 C GLU A 64 1.929 -9.683 -8.831 1.00 0.00 C ATOM 977 O GLU A 64 1.079 -10.529 -9.105 1.00 0.00 O ATOM 978 CB GLU A 64 2.155 -7.437 -10.046 1.00 0.00 C ATOM 979 CG GLU A 64 1.513 -7.929 -11.366 1.00 0.00 C ATOM 980 CD GLU A 64 0.010 -7.618 -11.423 1.00 0.00 C ATOM 981 OE1 GLU A 64 -0.394 -6.614 -10.855 1.00 0.00 O ATOM 982 OE2 GLU A 64 -0.718 -8.404 -12.012 1.00 0.00 O ATOM 0 H GLU A 64 2.758 -6.764 -7.799 1.00 0.00 H new ATOM 0 HA GLU A 64 0.487 -8.104 -8.828 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.989 -6.365 -9.939 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.233 -7.590 -10.087 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.014 -7.457 -12.211 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.665 -9.004 -11.465 1.00 0.00 H new ATOM 989 N LYS A 65 3.191 -9.986 -8.513 1.00 0.00 N ATOM 990 CA LYS A 65 3.693 -11.376 -8.465 1.00 0.00 C ATOM 991 C LYS A 65 2.964 -12.199 -7.381 1.00 0.00 C ATOM 992 O LYS A 65 2.528 -13.320 -7.637 1.00 0.00 O ATOM 993 CB LYS A 65 5.225 -11.346 -8.165 1.00 0.00 C ATOM 994 CG LYS A 65 6.027 -10.808 -9.388 1.00 0.00 C ATOM 995 CD LYS A 65 7.551 -10.758 -9.062 1.00 0.00 C ATOM 996 CE LYS A 65 8.341 -10.213 -10.274 1.00 0.00 C ATOM 997 NZ LYS A 65 8.080 -11.089 -11.448 1.00 0.00 N ATOM 0 H LYS A 65 3.895 -9.285 -8.282 1.00 0.00 H new ATOM 0 HA LYS A 65 3.504 -11.852 -9.427 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.416 -10.717 -7.296 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.569 -12.349 -7.914 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.855 -11.448 -10.253 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.673 -9.812 -9.653 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.723 -10.124 -8.192 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.908 -11.755 -8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.038 -9.189 -10.492 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.407 -10.189 -10.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.814 -10.933 -12.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.095 -12.085 -11.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.148 -10.862 -11.850 1.00 0.00 H new ATOM 1011 N GLU A 66 2.823 -11.632 -6.178 1.00 0.00 N ATOM 1012 CA GLU A 66 2.138 -12.318 -5.066 1.00 0.00 C ATOM 1013 C GLU A 66 0.652 -12.517 -5.411 1.00 0.00 C ATOM 1014 O GLU A 66 0.116 -13.610 -5.240 1.00 0.00 O ATOM 1015 CB GLU A 66 2.307 -11.479 -3.765 1.00 0.00 C ATOM 1016 CG GLU A 66 3.769 -11.563 -3.229 1.00 0.00 C ATOM 1017 CD GLU A 66 3.944 -10.661 -1.996 1.00 0.00 C ATOM 1018 OE1 GLU A 66 3.441 -9.549 -2.028 1.00 0.00 O ATOM 1019 OE2 GLU A 66 4.577 -11.095 -1.046 1.00 0.00 O ATOM 0 H GLU A 66 3.172 -10.702 -5.945 1.00 0.00 H new ATOM 0 HA GLU A 66 2.580 -13.301 -4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.048 -10.439 -3.963 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.616 -11.840 -3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.009 -12.594 -2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.467 -11.261 -4.010 1.00 0.00 H new ATOM 1026 N ARG A 67 0.002 -11.457 -5.928 1.00 0.00 N ATOM 1027 CA ARG A 67 -1.430 -11.516 -6.313 1.00 0.00 C ATOM 1028 C ARG A 67 -1.737 -12.787 -7.123 1.00 0.00 C ATOM 1029 O ARG A 67 -2.866 -13.269 -7.109 1.00 0.00 O ATOM 1030 CB ARG A 67 -1.825 -10.233 -7.139 1.00 0.00 C ATOM 1031 CG ARG A 67 -2.165 -9.036 -6.202 1.00 0.00 C ATOM 1032 CD ARG A 67 -2.471 -7.760 -7.017 1.00 0.00 C ATOM 1033 NE ARG A 67 -2.883 -6.681 -6.108 1.00 0.00 N ATOM 1034 CZ ARG A 67 -4.084 -6.660 -5.502 1.00 0.00 C ATOM 1035 NH1 ARG A 67 -4.961 -7.615 -5.712 1.00 0.00 N ATOM 1036 NH2 ARG A 67 -4.378 -5.684 -4.694 1.00 0.00 N ATOM 0 H ARG A 67 0.440 -10.550 -6.090 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.024 -11.548 -5.400 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.004 -9.957 -7.801 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.683 -10.456 -7.773 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -3.024 -9.289 -5.581 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.329 -8.849 -5.528 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.589 -7.457 -7.581 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.260 -7.960 -7.742 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.232 -5.917 -5.929 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.735 -8.385 -6.341 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.868 -7.586 -5.246 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.700 -4.941 -4.523 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.287 -5.661 -4.231 1.00 0.00 H new ATOM 1050 N GLU A 68 -0.717 -13.332 -7.803 1.00 0.00 N ATOM 1051 CA GLU A 68 -0.888 -14.560 -8.592 1.00 0.00 C ATOM 1052 C GLU A 68 -1.166 -15.748 -7.651 1.00 0.00 C ATOM 1053 O GLU A 68 -2.231 -16.356 -7.700 1.00 0.00 O ATOM 1054 CB GLU A 68 0.393 -14.817 -9.434 1.00 0.00 C ATOM 1055 CG GLU A 68 0.172 -15.972 -10.454 1.00 0.00 C ATOM 1056 CD GLU A 68 1.436 -16.237 -11.281 1.00 0.00 C ATOM 1057 OE1 GLU A 68 2.286 -15.361 -11.357 1.00 0.00 O ATOM 1058 OE2 GLU A 68 1.526 -17.318 -11.839 1.00 0.00 O ATOM 0 H GLU A 68 0.227 -12.945 -7.822 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.736 -14.448 -9.268 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.671 -13.907 -9.965 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.223 -15.066 -8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.114 -16.880 -9.922 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.654 -15.719 -11.119 1.00 0.00 H new ATOM 1065 N ASP A 69 -0.179 -16.087 -6.810 1.00 0.00 N ATOM 1066 CA ASP A 69 -0.301 -17.224 -5.873 1.00 0.00 C ATOM 1067 C ASP A 69 -1.592 -17.128 -5.037 1.00 0.00 C ATOM 1068 O ASP A 69 -2.286 -18.120 -4.835 1.00 0.00 O ATOM 1069 CB ASP A 69 0.934 -17.270 -4.936 1.00 0.00 C ATOM 1070 CG ASP A 69 2.225 -17.351 -5.759 1.00 0.00 C ATOM 1071 OD1 ASP A 69 2.257 -18.131 -6.694 1.00 0.00 O ATOM 1072 OD2 ASP A 69 3.168 -16.639 -5.434 1.00 0.00 O ATOM 0 H ASP A 69 0.713 -15.594 -6.756 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.348 -18.141 -6.460 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.953 -16.382 -4.304 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.863 -18.132 -4.272 1.00 0.00 H new ATOM 1077 N LEU A 70 -1.898 -15.912 -4.584 1.00 0.00 N ATOM 1078 CA LEU A 70 -3.108 -15.636 -3.787 1.00 0.00 C ATOM 1079 C LEU A 70 -4.386 -15.869 -4.616 1.00 0.00 C ATOM 1080 O LEU A 70 -5.369 -16.402 -4.098 1.00 0.00 O ATOM 1081 CB LEU A 70 -3.044 -14.158 -3.247 1.00 0.00 C ATOM 1082 CG LEU A 70 -2.244 -14.036 -1.892 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -2.991 -14.741 -0.705 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -0.804 -14.602 -2.055 1.00 0.00 C ATOM 0 H LEU A 70 -1.321 -15.089 -4.755 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.144 -16.325 -2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.576 -13.522 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.058 -13.786 -3.100 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.176 -12.976 -1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.406 -14.633 0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.969 -14.281 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.117 -15.800 -0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.268 -14.509 -1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.856 -15.652 -2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.278 -14.041 -2.828 1.00 0.00 H new ATOM 1096 N ASP A 71 -4.378 -15.462 -5.893 1.00 0.00 N ATOM 1097 CA ASP A 71 -5.566 -15.635 -6.766 1.00 0.00 C ATOM 1098 C ASP A 71 -5.918 -17.132 -6.877 1.00 0.00 C ATOM 1099 O ASP A 71 -7.058 -17.530 -6.638 1.00 0.00 O ATOM 1100 CB ASP A 71 -5.279 -15.048 -8.179 1.00 0.00 C ATOM 1101 CG ASP A 71 -6.499 -15.195 -9.104 1.00 0.00 C ATOM 1102 OD1 ASP A 71 -7.526 -14.616 -8.791 1.00 0.00 O ATOM 1103 OD2 ASP A 71 -6.389 -15.890 -10.104 1.00 0.00 O ATOM 0 H ASP A 71 -3.580 -15.017 -6.346 1.00 0.00 H new ATOM 0 HA ASP A 71 -6.410 -15.102 -6.329 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.012 -13.995 -8.090 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.422 -15.558 -8.620 1.00 0.00 H new ATOM 1108 N LEU A 72 -4.917 -17.946 -7.238 1.00 0.00 N ATOM 1109 CA LEU A 72 -5.098 -19.408 -7.377 1.00 0.00 C ATOM 1110 C LEU A 72 -5.377 -20.055 -6.005 1.00 0.00 C ATOM 1111 O LEU A 72 -6.298 -20.867 -5.877 1.00 0.00 O ATOM 1112 CB LEU A 72 -3.813 -20.026 -8.038 1.00 0.00 C ATOM 1113 CG LEU A 72 -3.811 -19.883 -9.610 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -4.940 -20.739 -10.284 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -3.926 -18.386 -10.017 1.00 0.00 C ATOM 0 H LEU A 72 -3.971 -17.622 -7.440 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.959 -19.607 -8.015 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.928 -19.536 -7.631 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.744 -21.081 -7.773 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.861 -20.273 -9.974 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.899 -20.608 -11.365 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.794 -21.791 -10.040 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.913 -20.413 -9.916 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.923 -18.303 -11.104 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.855 -17.972 -9.624 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.081 -17.832 -9.609 1.00 0.00 H new ATOM 1127 N ASP A 73 -4.586 -19.695 -4.980 1.00 0.00 N ATOM 1128 CA ASP A 73 -4.769 -20.249 -3.624 1.00 0.00 C ATOM 1129 C ASP A 73 -5.822 -19.411 -2.889 1.00 0.00 C ATOM 1130 O ASP A 73 -5.498 -18.394 -2.273 1.00 0.00 O ATOM 1131 CB ASP A 73 -3.418 -20.219 -2.861 1.00 0.00 C ATOM 1132 CG ASP A 73 -3.539 -20.919 -1.501 1.00 0.00 C ATOM 1133 OD1 ASP A 73 -3.644 -22.133 -1.496 1.00 0.00 O ATOM 1134 OD2 ASP A 73 -3.531 -20.230 -0.491 1.00 0.00 O ATOM 0 H ASP A 73 -3.819 -19.028 -5.061 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.107 -21.284 -3.682 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.648 -20.707 -3.458 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.101 -19.186 -2.716 1.00 0.00 H new ATOM 1139 N HIS A 74 -7.090 -19.846 -2.971 1.00 0.00 N ATOM 1140 CA HIS A 74 -8.202 -19.139 -2.320 1.00 0.00 C ATOM 1141 C HIS A 74 -8.014 -19.182 -0.803 1.00 0.00 C ATOM 1142 O HIS A 74 -8.153 -18.170 -0.113 1.00 0.00 O ATOM 1143 CB HIS A 74 -9.539 -19.819 -2.714 1.00 0.00 C ATOM 1144 CG HIS A 74 -9.739 -19.730 -4.209 1.00 0.00 C ATOM 1145 ND1 HIS A 74 -10.077 -18.542 -4.836 1.00 0.00 N ATOM 1146 CD2 HIS A 74 -9.640 -20.667 -5.213 1.00 0.00 C ATOM 1147 CE1 HIS A 74 -10.167 -18.787 -6.154 1.00 0.00 C ATOM 1148 NE2 HIS A 74 -9.911 -20.066 -6.440 1.00 0.00 N ATOM 0 H HIS A 74 -7.369 -20.684 -3.482 1.00 0.00 H new ATOM 0 HA HIS A 74 -8.221 -18.098 -2.644 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -9.533 -20.863 -2.401 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -10.369 -19.336 -2.198 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -9.391 -21.708 -5.071 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -10.416 -18.040 -6.893 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -9.913 -20.508 -7.359 1.00 0.00 H new ATOM 1156 N SER A 75 -7.674 -20.375 -0.307 1.00 0.00 N ATOM 1157 CA SER A 75 -7.439 -20.591 1.123 1.00 0.00 C ATOM 1158 C SER A 75 -6.792 -21.965 1.350 1.00 0.00 C ATOM 1159 O SER A 75 -7.253 -22.971 0.804 1.00 0.00 O ATOM 1160 CB SER A 75 -8.776 -20.513 1.879 1.00 0.00 C ATOM 1161 OG SER A 75 -8.551 -20.751 3.263 1.00 0.00 O ATOM 0 H SER A 75 -7.555 -21.211 -0.879 1.00 0.00 H new ATOM 0 HA SER A 75 -6.765 -19.820 1.496 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.230 -19.532 1.737 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.475 -21.249 1.481 1.00 0.00 H new ATOM 0 HG SER A 75 -9.402 -20.700 3.746 1.00 0.00 H new ATOM 1167 N SER A 76 -5.733 -22.004 2.174 1.00 0.00 N ATOM 1168 CA SER A 76 -5.039 -23.257 2.500 1.00 0.00 C ATOM 1169 C SER A 76 -5.988 -24.212 3.224 1.00 0.00 C ATOM 1170 O SER A 76 -5.989 -25.417 2.978 1.00 0.00 O ATOM 1171 CB SER A 76 -3.840 -22.962 3.422 1.00 0.00 C ATOM 1172 OG SER A 76 -3.179 -24.180 3.747 1.00 0.00 O ATOM 0 H SER A 76 -5.339 -21.179 2.627 1.00 0.00 H new ATOM 0 HA SER A 76 -4.695 -23.715 1.573 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.147 -22.281 2.928 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.180 -22.467 4.331 1.00 0.00 H new ATOM 0 HG SER A 76 -2.416 -23.992 4.332 1.00 0.00 H new ATOM 1178 N LEU A 77 -6.773 -23.646 4.152 1.00 0.00 N ATOM 1179 CA LEU A 77 -7.716 -24.435 4.962 1.00 0.00 C ATOM 1180 C LEU A 77 -8.879 -25.005 4.084 1.00 0.00 C ATOM 1181 O LEU A 77 -9.287 -24.328 3.136 1.00 0.00 O ATOM 1182 CB LEU A 77 -8.297 -23.547 6.105 1.00 0.00 C ATOM 1183 CG LEU A 77 -7.167 -22.880 6.974 1.00 0.00 C ATOM 1184 CD1 LEU A 77 -7.813 -22.006 8.091 1.00 0.00 C ATOM 1185 CD2 LEU A 77 -6.228 -23.949 7.624 1.00 0.00 C ATOM 0 H LEU A 77 -6.775 -22.648 4.361 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.175 -25.278 5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.928 -22.770 5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.935 -24.155 6.747 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.562 -22.259 6.314 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.029 -21.545 8.692 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.426 -21.228 7.636 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.437 -22.633 8.728 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.461 -23.448 8.216 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.814 -24.604 8.269 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.753 -24.541 6.841 1.00 0.00 H new ATOM 1197 N PRO A 78 -9.439 -26.204 4.372 1.00 0.00 N ATOM 1198 CA PRO A 78 -10.590 -26.781 3.564 1.00 0.00 C ATOM 1199 C PRO A 78 -11.682 -25.733 3.238 1.00 0.00 C ATOM 1200 O PRO A 78 -11.775 -24.758 3.964 1.00 0.00 O ATOM 1201 CB PRO A 78 -11.143 -27.920 4.479 1.00 0.00 C ATOM 1202 CG PRO A 78 -9.920 -28.416 5.217 1.00 0.00 C ATOM 1203 CD PRO A 78 -9.045 -27.149 5.465 1.00 0.00 C ATOM 1204 OXT PRO A 78 -12.397 -25.928 2.266 1.00 0.00 O ATOM 0 HA PRO A 78 -10.264 -27.134 2.586 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.902 -27.547 5.167 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -11.606 -28.714 3.893 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -10.195 -28.894 6.157 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.380 -29.158 4.629 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -9.236 -26.720 6.449 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.982 -27.386 5.422 1.00 0.00 H new TER 1212 PRO A 78