USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 390 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 LYS NZ :NH3+ -157:sc= -0.189 (180deg=-0.891) USER MOD Single : A 25 THR OG1 : rot 72:sc= 0.836 USER MOD Single : A 27 HIS : no HD1:sc=-0.00335 X(o=-0.0033,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 149:sc= -0.339 (180deg=-1.32!) USER MOD Single : A 43 LYS NZ :NH3+ -126:sc= -1.17 (180deg=-2.91!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.389 USER MOD Single : A 48 ASN : amide:sc= -11.6! C(o=-12!,f=-11!) USER MOD Single : A 49 ASN : amide:sc= -1.02 K(o=-1,f=-1.7) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -149:sc=-0.000314 (180deg=-0.0952) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.334 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -160:sc= -0.292 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 5:sc= 0.696! USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 1.020 20.257 -6.076 1.00 0.00 N ATOM 2 CA LYS A 21 0.328 18.955 -5.807 1.00 0.00 C ATOM 3 C LYS A 21 -0.107 18.422 -7.161 1.00 0.00 C ATOM 4 O LYS A 21 -0.208 17.241 -7.404 1.00 0.00 O ATOM 5 CB LYS A 21 -0.909 19.172 -4.892 1.00 0.00 C ATOM 6 CG LYS A 21 -0.612 18.722 -3.438 1.00 0.00 C ATOM 7 CD LYS A 21 -1.023 17.257 -3.244 1.00 0.00 C ATOM 8 CE LYS A 21 -0.700 16.821 -1.813 1.00 0.00 C ATOM 9 NZ LYS A 21 0.729 17.122 -1.513 1.00 0.00 N ATOM 0 HA LYS A 21 0.988 18.256 -5.294 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.191 20.225 -4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.758 18.612 -5.283 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.450 18.841 -3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.153 19.356 -2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.089 17.138 -3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.495 16.623 -3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.348 17.341 -1.108 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.891 15.754 -1.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.058 16.508 -0.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.305 16.950 -2.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.821 18.118 -1.227 1.00 0.00 H new ATOM 23 N LEU A 22 -0.339 19.337 -8.026 1.00 0.00 N ATOM 24 CA LEU A 22 -0.763 19.053 -9.410 1.00 0.00 C ATOM 25 C LEU A 22 0.027 17.888 -10.026 1.00 0.00 C ATOM 26 O LEU A 22 -0.536 16.877 -10.391 1.00 0.00 O ATOM 27 CB LEU A 22 -0.447 20.338 -10.162 1.00 0.00 C ATOM 28 CG LEU A 22 -0.434 20.130 -11.677 1.00 0.00 C ATOM 29 CD1 LEU A 22 -1.733 19.452 -12.125 1.00 0.00 C ATOM 30 CD2 LEU A 22 -0.312 21.492 -12.368 1.00 0.00 C ATOM 0 H LEU A 22 -0.248 20.332 -7.822 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.813 18.763 -9.455 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.186 21.098 -9.907 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.523 20.717 -9.840 1.00 0.00 H new ATOM 0 HG LEU A 22 0.411 19.496 -11.946 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.714 19.308 -13.205 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.827 18.485 -11.632 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.582 20.080 -11.857 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.302 21.352 -13.449 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.160 22.118 -12.091 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.613 21.977 -12.056 1.00 0.00 H new ATOM 42 N LEU A 23 1.319 18.028 -10.175 1.00 0.00 N ATOM 43 CA LEU A 23 2.115 16.939 -10.799 1.00 0.00 C ATOM 44 C LEU A 23 2.493 15.962 -9.713 1.00 0.00 C ATOM 45 O LEU A 23 2.503 14.762 -9.896 1.00 0.00 O ATOM 46 CB LEU A 23 3.373 17.547 -11.452 1.00 0.00 C ATOM 47 CG LEU A 23 3.730 16.793 -12.752 1.00 0.00 C ATOM 48 CD1 LEU A 23 2.900 17.336 -13.920 1.00 0.00 C ATOM 49 CD2 LEU A 23 5.218 16.982 -13.067 1.00 0.00 C ATOM 0 H LEU A 23 1.853 18.849 -9.891 1.00 0.00 H new ATOM 0 HA LEU A 23 1.544 16.423 -11.570 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.202 18.601 -11.672 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.210 17.499 -10.756 1.00 0.00 H new ATOM 0 HG LEU A 23 3.513 15.734 -12.614 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.159 16.798 -14.832 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.840 17.200 -13.707 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.110 18.397 -14.053 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.466 16.449 -13.985 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.431 18.043 -13.195 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.817 16.589 -12.245 1.00 0.00 H new ATOM 61 N ILE A 24 2.782 16.482 -8.570 1.00 0.00 N ATOM 62 CA ILE A 24 3.147 15.619 -7.437 1.00 0.00 C ATOM 63 C ILE A 24 1.981 14.654 -7.230 1.00 0.00 C ATOM 64 O ILE A 24 2.096 13.631 -6.585 1.00 0.00 O ATOM 65 CB ILE A 24 3.392 16.489 -6.180 1.00 0.00 C ATOM 66 CG1 ILE A 24 3.791 17.953 -6.600 1.00 0.00 C ATOM 67 CG2 ILE A 24 4.496 15.840 -5.323 1.00 0.00 C ATOM 68 CD1 ILE A 24 4.831 18.541 -5.632 1.00 0.00 C ATOM 0 H ILE A 24 2.781 17.482 -8.370 1.00 0.00 H new ATOM 0 HA ILE A 24 4.065 15.063 -7.627 1.00 0.00 H new ATOM 0 HB ILE A 24 2.477 16.549 -5.591 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.194 17.947 -7.613 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.903 18.586 -6.614 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.673 16.448 -4.436 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.182 14.841 -5.021 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.415 15.771 -5.905 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.089 19.553 -5.945 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.416 18.568 -4.624 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.727 17.920 -5.639 1.00 0.00 H new ATOM 80 N THR A 25 0.855 14.984 -7.814 1.00 0.00 N ATOM 81 CA THR A 25 -0.346 14.108 -7.711 1.00 0.00 C ATOM 82 C THR A 25 -0.436 13.254 -8.977 1.00 0.00 C ATOM 83 O THR A 25 -0.814 12.100 -8.935 1.00 0.00 O ATOM 84 CB THR A 25 -1.598 14.981 -7.599 1.00 0.00 C ATOM 85 OG1 THR A 25 -1.585 15.666 -6.355 1.00 0.00 O ATOM 86 CG2 THR A 25 -2.849 14.104 -7.681 1.00 0.00 C ATOM 0 H THR A 25 0.719 15.833 -8.363 1.00 0.00 H new ATOM 0 HA THR A 25 -0.270 13.468 -6.832 1.00 0.00 H new ATOM 0 HB THR A 25 -1.608 15.702 -8.416 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.903 16.370 -6.376 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.738 14.730 -7.601 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.862 13.576 -8.635 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.840 13.380 -6.866 1.00 0.00 H new ATOM 94 N ILE A 26 -0.081 13.812 -10.108 1.00 0.00 N ATOM 95 CA ILE A 26 -0.138 13.027 -11.376 1.00 0.00 C ATOM 96 C ILE A 26 1.100 12.174 -11.475 1.00 0.00 C ATOM 97 O ILE A 26 1.059 10.981 -11.698 1.00 0.00 O ATOM 98 CB ILE A 26 -0.142 13.980 -12.569 1.00 0.00 C ATOM 99 CG1 ILE A 26 -1.399 14.863 -12.530 1.00 0.00 C ATOM 100 CG2 ILE A 26 -0.123 13.169 -13.869 1.00 0.00 C ATOM 101 CD1 ILE A 26 -1.162 16.135 -13.349 1.00 0.00 C ATOM 0 H ILE A 26 0.244 14.774 -10.206 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.039 12.413 -11.379 1.00 0.00 H new ATOM 0 HB ILE A 26 0.741 14.617 -12.523 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.252 14.315 -12.930 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.641 15.122 -11.499 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.126 13.848 -14.722 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.775 12.552 -13.900 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.005 12.529 -13.912 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.055 16.759 -13.319 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.320 16.686 -12.930 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.941 15.867 -14.382 1.00 0.00 H new ATOM 113 N HIS A 27 2.199 12.808 -11.325 1.00 0.00 N ATOM 114 CA HIS A 27 3.497 12.106 -11.417 1.00 0.00 C ATOM 115 C HIS A 27 3.466 10.861 -10.521 1.00 0.00 C ATOM 116 O HIS A 27 4.318 10.000 -10.614 1.00 0.00 O ATOM 117 CB HIS A 27 4.610 13.076 -10.984 1.00 0.00 C ATOM 118 CG HIS A 27 5.867 12.793 -11.755 1.00 0.00 C ATOM 119 ND1 HIS A 27 7.024 12.317 -11.160 1.00 0.00 N ATOM 120 CD2 HIS A 27 6.153 12.920 -13.089 1.00 0.00 C ATOM 121 CE1 HIS A 27 7.948 12.176 -12.129 1.00 0.00 C ATOM 122 NE2 HIS A 27 7.468 12.531 -13.326 1.00 0.00 N ATOM 0 H HIS A 27 2.266 13.808 -11.137 1.00 0.00 H new ATOM 0 HA HIS A 27 3.690 11.782 -12.440 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.293 14.105 -11.154 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.798 12.973 -9.915 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.462 13.269 -13.842 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.954 11.820 -11.960 1.00 0.00 H new ATOM 0 HE2 HIS A 27 7.960 12.519 -14.220 1.00 0.00 H new ATOM 130 N ASP A 28 2.477 10.759 -9.665 1.00 0.00 N ATOM 131 CA ASP A 28 2.366 9.565 -8.766 1.00 0.00 C ATOM 132 C ASP A 28 1.220 8.673 -9.242 1.00 0.00 C ATOM 133 O ASP A 28 1.347 7.465 -9.286 1.00 0.00 O ATOM 134 CB ASP A 28 2.082 10.013 -7.333 1.00 0.00 C ATOM 135 CG ASP A 28 3.277 10.802 -6.796 1.00 0.00 C ATOM 136 OD1 ASP A 28 4.357 10.648 -7.343 1.00 0.00 O ATOM 137 OD2 ASP A 28 3.092 11.547 -5.848 1.00 0.00 O ATOM 0 H ASP A 28 1.739 11.454 -9.550 1.00 0.00 H new ATOM 0 HA ASP A 28 3.305 9.013 -8.795 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.184 10.630 -7.305 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.892 9.146 -6.701 1.00 0.00 H new ATOM 142 N ARG A 29 0.096 9.245 -9.603 1.00 0.00 N ATOM 143 CA ARG A 29 -1.036 8.393 -10.072 1.00 0.00 C ATOM 144 C ARG A 29 -0.513 7.438 -11.145 1.00 0.00 C ATOM 145 O ARG A 29 -1.148 6.467 -11.493 1.00 0.00 O ATOM 146 CB ARG A 29 -2.200 9.265 -10.608 1.00 0.00 C ATOM 147 CG ARG A 29 -2.005 9.643 -12.086 1.00 0.00 C ATOM 148 CD ARG A 29 -3.172 10.523 -12.544 1.00 0.00 C ATOM 149 NE ARG A 29 -3.312 11.695 -11.634 1.00 0.00 N ATOM 150 CZ ARG A 29 -4.050 12.710 -11.994 1.00 0.00 C ATOM 151 NH1 ARG A 29 -4.664 12.694 -13.145 1.00 0.00 N ATOM 152 NH2 ARG A 29 -4.174 13.741 -11.204 1.00 0.00 N ATOM 0 H ARG A 29 -0.083 10.249 -9.593 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.434 7.815 -9.238 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.140 8.725 -10.493 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.278 10.172 -10.009 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.062 10.174 -12.216 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.951 8.743 -12.699 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.003 10.863 -13.566 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.095 9.944 -12.550 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.833 11.704 -10.733 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.567 11.889 -13.763 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.241 13.487 -13.426 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.694 13.755 -10.304 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.751 14.533 -11.486 1.00 0.00 H new ATOM 166 N LYS A 30 0.651 7.709 -11.662 1.00 0.00 N ATOM 167 CA LYS A 30 1.229 6.817 -12.702 1.00 0.00 C ATOM 168 C LYS A 30 1.229 5.393 -12.156 1.00 0.00 C ATOM 169 O LYS A 30 0.659 4.494 -12.739 1.00 0.00 O ATOM 170 CB LYS A 30 2.664 7.252 -13.014 1.00 0.00 C ATOM 171 CG LYS A 30 3.139 6.567 -14.297 1.00 0.00 C ATOM 172 CD LYS A 30 4.513 7.114 -14.689 1.00 0.00 C ATOM 173 CE LYS A 30 4.920 6.548 -16.050 1.00 0.00 C ATOM 174 NZ LYS A 30 6.114 7.282 -16.557 1.00 0.00 N ATOM 0 H LYS A 30 1.228 8.511 -11.409 1.00 0.00 H new ATOM 0 HA LYS A 30 0.641 6.871 -13.618 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.710 8.335 -13.129 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.322 6.992 -12.185 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.194 5.489 -14.147 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.424 6.741 -15.101 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.484 8.203 -14.730 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.252 6.843 -13.935 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.144 5.485 -15.961 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.095 6.642 -16.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.391 6.897 -17.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.885 8.292 -16.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.901 7.170 -15.886 1.00 0.00 H new ATOM 188 N GLU A 31 1.841 5.191 -11.023 1.00 0.00 N ATOM 189 CA GLU A 31 1.852 3.834 -10.418 1.00 0.00 C ATOM 190 C GLU A 31 0.414 3.452 -10.084 1.00 0.00 C ATOM 191 O GLU A 31 -0.057 2.386 -10.426 1.00 0.00 O ATOM 192 CB GLU A 31 2.680 3.857 -9.133 1.00 0.00 C ATOM 193 CG GLU A 31 4.009 4.568 -9.391 1.00 0.00 C ATOM 194 CD GLU A 31 4.741 3.879 -10.545 1.00 0.00 C ATOM 195 OE1 GLU A 31 5.454 2.926 -10.282 1.00 0.00 O ATOM 196 OE2 GLU A 31 4.575 4.318 -11.672 1.00 0.00 O ATOM 0 H GLU A 31 2.334 5.908 -10.491 1.00 0.00 H new ATOM 0 HA GLU A 31 2.286 3.114 -11.111 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.130 4.368 -8.343 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.862 2.839 -8.787 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.832 5.616 -9.633 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.625 4.548 -8.492 1.00 0.00 H new ATOM 203 N PHE A 32 -0.288 4.330 -9.422 1.00 0.00 N ATOM 204 CA PHE A 32 -1.702 4.044 -9.065 1.00 0.00 C ATOM 205 C PHE A 32 -2.444 3.624 -10.323 1.00 0.00 C ATOM 206 O PHE A 32 -3.027 2.561 -10.404 1.00 0.00 O ATOM 207 CB PHE A 32 -2.333 5.315 -8.465 1.00 0.00 C ATOM 208 CG PHE A 32 -3.411 4.943 -7.467 1.00 0.00 C ATOM 209 CD1 PHE A 32 -3.065 4.633 -6.147 1.00 0.00 C ATOM 210 CD2 PHE A 32 -4.753 4.908 -7.866 1.00 0.00 C ATOM 211 CE1 PHE A 32 -4.061 4.289 -5.224 1.00 0.00 C ATOM 212 CE2 PHE A 32 -5.748 4.564 -6.945 1.00 0.00 C ATOM 213 CZ PHE A 32 -5.403 4.254 -5.624 1.00 0.00 C ATOM 0 H PHE A 32 0.061 5.237 -9.112 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.760 3.241 -8.330 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.565 5.915 -7.976 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.759 5.928 -9.259 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.030 4.659 -5.840 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.020 5.147 -8.885 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.794 4.051 -4.205 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.783 4.538 -7.253 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.172 3.988 -4.913 1.00 0.00 H new ATOM 223 N ALA A 33 -2.403 4.459 -11.301 1.00 0.00 N ATOM 224 CA ALA A 33 -3.081 4.148 -12.587 1.00 0.00 C ATOM 225 C ALA A 33 -2.526 2.832 -13.134 1.00 0.00 C ATOM 226 O ALA A 33 -3.154 2.166 -13.928 1.00 0.00 O ATOM 227 CB ALA A 33 -2.813 5.271 -13.592 1.00 0.00 C ATOM 0 H ALA A 33 -1.924 5.359 -11.273 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.155 4.059 -12.426 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.310 5.042 -14.535 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.198 6.212 -13.198 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.740 5.360 -13.760 1.00 0.00 H new ATOM 233 N LYS A 34 -1.351 2.448 -12.715 1.00 0.00 N ATOM 234 CA LYS A 34 -0.764 1.169 -13.212 1.00 0.00 C ATOM 235 C LYS A 34 -1.288 0.009 -12.359 1.00 0.00 C ATOM 236 O LYS A 34 -1.949 -0.884 -12.852 1.00 0.00 O ATOM 237 CB LYS A 34 0.772 1.243 -13.124 1.00 0.00 C ATOM 238 CG LYS A 34 1.408 0.336 -14.184 1.00 0.00 C ATOM 239 CD LYS A 34 0.915 -1.100 -14.000 1.00 0.00 C ATOM 240 CE LYS A 34 1.801 -2.058 -14.802 1.00 0.00 C ATOM 241 NZ LYS A 34 3.220 -1.907 -14.373 1.00 0.00 N ATOM 0 H LYS A 34 -0.772 2.963 -12.051 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.051 1.007 -14.251 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.103 2.271 -13.269 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.102 0.940 -12.130 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.153 0.693 -15.182 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.494 0.371 -14.101 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.935 -1.369 -12.944 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.120 -1.184 -14.331 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.472 -3.086 -14.650 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.709 -1.848 -15.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.713 -2.817 -14.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.687 -1.191 -14.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.252 -1.607 -13.378 1.00 0.00 H new ATOM 255 N PHE A 35 -1.002 0.012 -11.084 1.00 0.00 N ATOM 256 CA PHE A 35 -1.494 -1.097 -10.217 1.00 0.00 C ATOM 257 C PHE A 35 -3.003 -1.233 -10.396 1.00 0.00 C ATOM 258 O PHE A 35 -3.609 -2.199 -9.977 1.00 0.00 O ATOM 259 CB PHE A 35 -1.162 -0.799 -8.749 1.00 0.00 C ATOM 260 CG PHE A 35 0.289 -1.132 -8.476 1.00 0.00 C ATOM 261 CD1 PHE A 35 1.304 -0.392 -9.096 1.00 0.00 C ATOM 262 CD2 PHE A 35 0.621 -2.179 -7.604 1.00 0.00 C ATOM 263 CE1 PHE A 35 2.647 -0.698 -8.846 1.00 0.00 C ATOM 264 CE2 PHE A 35 1.964 -2.483 -7.354 1.00 0.00 C ATOM 265 CZ PHE A 35 2.978 -1.744 -7.976 1.00 0.00 C ATOM 0 H PHE A 35 -0.453 0.729 -10.609 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.007 -2.030 -10.501 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.351 0.252 -8.529 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.809 -1.383 -8.094 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.050 0.415 -9.767 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.160 -2.751 -7.125 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.429 -0.127 -9.325 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.219 -3.288 -6.681 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.014 -1.981 -7.785 1.00 0.00 H new ATOM 275 N GLU A 36 -3.603 -0.273 -11.026 1.00 0.00 N ATOM 276 CA GLU A 36 -5.070 -0.326 -11.257 1.00 0.00 C ATOM 277 C GLU A 36 -5.444 -1.681 -11.839 1.00 0.00 C ATOM 278 O GLU A 36 -6.518 -2.198 -11.617 1.00 0.00 O ATOM 279 CB GLU A 36 -5.453 0.824 -12.200 1.00 0.00 C ATOM 280 CG GLU A 36 -5.267 0.409 -13.653 1.00 0.00 C ATOM 281 CD GLU A 36 -5.588 1.589 -14.574 1.00 0.00 C ATOM 282 OE1 GLU A 36 -6.483 2.348 -14.241 1.00 0.00 O ATOM 283 OE2 GLU A 36 -4.933 1.712 -15.596 1.00 0.00 O ATOM 0 H GLU A 36 -3.138 0.556 -11.396 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.617 -0.208 -10.322 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.490 1.112 -12.028 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.839 1.698 -11.984 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.242 0.076 -13.817 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.918 -0.434 -13.886 1.00 0.00 H new ATOM 290 N GLU A 37 -4.553 -2.241 -12.589 1.00 0.00 N ATOM 291 CA GLU A 37 -4.808 -3.572 -13.226 1.00 0.00 C ATOM 292 C GLU A 37 -5.462 -4.494 -12.197 1.00 0.00 C ATOM 293 O GLU A 37 -6.157 -5.433 -12.527 1.00 0.00 O ATOM 294 CB GLU A 37 -3.483 -4.181 -13.687 1.00 0.00 C ATOM 295 CG GLU A 37 -3.744 -5.534 -14.352 1.00 0.00 C ATOM 296 CD GLU A 37 -2.446 -6.060 -14.970 1.00 0.00 C ATOM 297 OE1 GLU A 37 -1.544 -6.383 -14.215 1.00 0.00 O ATOM 298 OE2 GLU A 37 -2.378 -6.129 -16.185 1.00 0.00 O ATOM 0 H GLU A 37 -3.641 -1.836 -12.798 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.465 -3.450 -14.087 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.987 -3.510 -14.388 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.813 -4.306 -12.836 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.123 -6.245 -13.618 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.510 -5.431 -15.121 1.00 0.00 H new ATOM 305 N GLU A 38 -5.246 -4.203 -10.950 1.00 0.00 N ATOM 306 CA GLU A 38 -5.844 -5.016 -9.861 1.00 0.00 C ATOM 307 C GLU A 38 -7.261 -4.503 -9.581 1.00 0.00 C ATOM 308 O GLU A 38 -8.232 -5.222 -9.688 1.00 0.00 O ATOM 309 CB GLU A 38 -4.981 -4.844 -8.617 1.00 0.00 C ATOM 310 CG GLU A 38 -5.408 -5.848 -7.548 1.00 0.00 C ATOM 311 CD GLU A 38 -5.008 -7.260 -7.983 1.00 0.00 C ATOM 312 OE1 GLU A 38 -3.825 -7.556 -7.952 1.00 0.00 O ATOM 313 OE2 GLU A 38 -5.893 -8.019 -8.343 1.00 0.00 O ATOM 0 H GLU A 38 -4.670 -3.423 -10.633 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.891 -6.068 -10.142 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.931 -4.991 -8.869 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.077 -3.828 -8.234 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.938 -5.603 -6.596 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.486 -5.795 -7.394 1.00 0.00 H new ATOM 320 N ARG A 39 -7.371 -3.249 -9.236 1.00 0.00 N ATOM 321 CA ARG A 39 -8.706 -2.635 -8.955 1.00 0.00 C ATOM 322 C ARG A 39 -9.335 -2.248 -10.260 1.00 0.00 C ATOM 323 O ARG A 39 -10.253 -1.465 -10.303 1.00 0.00 O ATOM 324 CB ARG A 39 -8.598 -1.442 -7.992 1.00 0.00 C ATOM 325 CG ARG A 39 -7.311 -1.564 -7.173 1.00 0.00 C ATOM 326 CD ARG A 39 -7.256 -2.923 -6.429 1.00 0.00 C ATOM 327 NE ARG A 39 -7.946 -2.823 -5.099 1.00 0.00 N ATOM 328 CZ ARG A 39 -7.538 -1.995 -4.175 1.00 0.00 C ATOM 329 NH1 ARG A 39 -6.440 -1.310 -4.340 1.00 0.00 N ATOM 330 NH2 ARG A 39 -8.215 -1.877 -3.066 1.00 0.00 N ATOM 0 H ARG A 39 -6.581 -2.612 -9.135 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.341 -3.364 -8.451 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.598 -0.507 -8.552 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.463 -1.416 -7.329 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.447 -1.469 -7.830 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.255 -0.748 -6.453 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.731 -3.695 -7.034 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.218 -3.224 -6.285 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.754 -3.417 -4.912 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.894 -1.419 -5.195 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.127 -0.665 -3.614 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.060 -2.430 -2.923 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.899 -1.231 -2.342 1.00 0.00 H new ATOM 344 N ALA A 40 -8.826 -2.791 -11.328 1.00 0.00 N ATOM 345 CA ALA A 40 -9.391 -2.497 -12.696 1.00 0.00 C ATOM 346 C ALA A 40 -10.919 -2.638 -12.684 1.00 0.00 C ATOM 347 O ALA A 40 -11.587 -2.509 -13.689 1.00 0.00 O ATOM 348 CB ALA A 40 -8.788 -3.456 -13.725 1.00 0.00 C ATOM 0 H ALA A 40 -8.034 -3.434 -11.323 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.136 -1.473 -12.967 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.200 -3.238 -14.710 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.705 -3.331 -13.749 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.028 -4.483 -13.450 1.00 0.00 H new ATOM 354 N ARG A 41 -11.453 -2.865 -11.539 1.00 0.00 N ATOM 355 CA ARG A 41 -12.892 -2.975 -11.337 1.00 0.00 C ATOM 356 C ARG A 41 -13.399 -1.610 -10.862 1.00 0.00 C ATOM 357 O ARG A 41 -14.575 -1.333 -10.853 1.00 0.00 O ATOM 358 CB ARG A 41 -13.068 -3.991 -10.241 1.00 0.00 C ATOM 359 CG ARG A 41 -12.419 -5.355 -10.658 1.00 0.00 C ATOM 360 CD ARG A 41 -11.324 -5.810 -9.663 1.00 0.00 C ATOM 361 NE ARG A 41 -10.188 -6.426 -10.420 1.00 0.00 N ATOM 362 CZ ARG A 41 -10.397 -7.323 -11.350 1.00 0.00 C ATOM 363 NH1 ARG A 41 -11.586 -7.825 -11.533 1.00 0.00 N ATOM 364 NH2 ARG A 41 -9.396 -7.752 -12.069 1.00 0.00 N ATOM 0 H ARG A 41 -10.909 -2.985 -10.684 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.432 -3.267 -12.238 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.609 -3.628 -9.321 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.129 -4.133 -10.034 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.193 -6.120 -10.719 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.986 -5.260 -11.654 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.969 -4.959 -9.082 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.736 -6.529 -8.955 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.232 -6.141 -10.207 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.364 -7.519 -10.949 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.738 -8.524 -12.261 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.457 -7.388 -11.905 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.552 -8.451 -12.795 1.00 0.00 H new ATOM 378 N ALA A 42 -12.483 -0.767 -10.456 1.00 0.00 N ATOM 379 CA ALA A 42 -12.851 0.588 -9.932 1.00 0.00 C ATOM 380 C ALA A 42 -13.477 1.444 -11.013 1.00 0.00 C ATOM 381 O ALA A 42 -13.775 2.605 -10.825 1.00 0.00 O ATOM 382 CB ALA A 42 -11.609 1.283 -9.370 1.00 0.00 C ATOM 0 H ALA A 42 -11.482 -0.961 -10.465 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.586 0.456 -9.138 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.883 2.267 -8.991 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.193 0.685 -8.559 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.865 1.393 -10.159 1.00 0.00 H new ATOM 388 N LYS A 43 -13.659 0.863 -12.137 1.00 0.00 N ATOM 389 CA LYS A 43 -14.257 1.575 -13.303 1.00 0.00 C ATOM 390 C LYS A 43 -15.624 1.023 -13.578 1.00 0.00 C ATOM 391 O LYS A 43 -16.452 1.664 -14.196 1.00 0.00 O ATOM 392 CB LYS A 43 -13.377 1.400 -14.545 1.00 0.00 C ATOM 393 CG LYS A 43 -12.618 0.040 -14.542 1.00 0.00 C ATOM 394 CD LYS A 43 -11.092 0.281 -14.626 1.00 0.00 C ATOM 395 CE LYS A 43 -10.603 1.127 -13.428 1.00 0.00 C ATOM 396 NZ LYS A 43 -10.446 2.548 -13.853 1.00 0.00 N ATOM 0 H LYS A 43 -13.415 -0.110 -12.319 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.328 2.637 -13.068 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.997 1.466 -15.439 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.656 2.216 -14.595 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.857 -0.516 -13.635 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.945 -0.569 -15.385 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.569 -0.675 -14.640 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.850 0.790 -15.559 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.316 1.059 -12.606 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.653 0.740 -13.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.485 2.874 -13.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.603 2.623 -14.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.140 3.139 -13.352 1.00 0.00 H new ATOM 410 N TRP A 44 -15.879 -0.144 -13.109 1.00 0.00 N ATOM 411 CA TRP A 44 -17.226 -0.733 -13.324 1.00 0.00 C ATOM 412 C TRP A 44 -17.586 -1.593 -12.126 1.00 0.00 C ATOM 413 O TRP A 44 -18.407 -2.485 -12.200 1.00 0.00 O ATOM 414 CB TRP A 44 -17.262 -1.555 -14.608 1.00 0.00 C ATOM 415 CG TRP A 44 -16.002 -2.281 -14.729 1.00 0.00 C ATOM 416 CD1 TRP A 44 -14.981 -1.826 -15.424 1.00 0.00 C ATOM 417 CD2 TRP A 44 -15.603 -3.556 -14.166 1.00 0.00 C ATOM 418 NE1 TRP A 44 -13.932 -2.702 -15.305 1.00 0.00 N ATOM 419 CE2 TRP A 44 -14.269 -3.795 -14.540 1.00 0.00 C ATOM 420 CE3 TRP A 44 -16.252 -4.509 -13.370 1.00 0.00 C ATOM 421 CZ2 TRP A 44 -13.588 -4.935 -14.132 1.00 0.00 C ATOM 422 CZ3 TRP A 44 -15.574 -5.671 -12.960 1.00 0.00 C ATOM 423 CH2 TRP A 44 -14.239 -5.879 -13.336 1.00 0.00 C ATOM 0 H TRP A 44 -15.223 -0.724 -12.586 1.00 0.00 H new ATOM 0 HA TRP A 44 -17.957 0.069 -13.428 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -18.100 -2.252 -14.588 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -17.409 -0.904 -15.470 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -14.971 -0.910 -15.996 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -13.016 -2.561 -15.731 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -17.277 -4.351 -13.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -12.561 -5.090 -14.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -16.083 -6.406 -12.354 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -13.716 -6.766 -13.011 1.00 0.00 H new ATOM 434 N ASP A 45 -16.948 -1.337 -11.025 1.00 0.00 N ATOM 435 CA ASP A 45 -17.212 -2.151 -9.803 1.00 0.00 C ATOM 436 C ASP A 45 -16.426 -1.623 -8.621 1.00 0.00 C ATOM 437 O ASP A 45 -16.970 -1.119 -7.663 1.00 0.00 O ATOM 438 CB ASP A 45 -16.753 -3.589 -10.081 1.00 0.00 C ATOM 439 CG ASP A 45 -17.961 -4.519 -10.325 1.00 0.00 C ATOM 440 OD1 ASP A 45 -18.991 -4.304 -9.707 1.00 0.00 O ATOM 441 OD2 ASP A 45 -17.829 -5.436 -11.116 1.00 0.00 O ATOM 0 H ASP A 45 -16.253 -0.599 -10.913 1.00 0.00 H new ATOM 0 HA ASP A 45 -18.275 -2.105 -9.568 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -16.097 -3.603 -10.952 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -16.170 -3.958 -9.237 1.00 0.00 H new ATOM 446 N THR A 46 -15.154 -1.834 -8.685 1.00 0.00 N ATOM 447 CA THR A 46 -14.226 -1.467 -7.589 1.00 0.00 C ATOM 448 C THR A 46 -14.266 -2.609 -6.622 1.00 0.00 C ATOM 449 O THR A 46 -13.269 -3.021 -6.079 1.00 0.00 O ATOM 450 CB THR A 46 -14.612 -0.110 -6.943 1.00 0.00 C ATOM 451 OG1 THR A 46 -13.437 0.678 -6.814 1.00 0.00 O ATOM 452 CG2 THR A 46 -15.247 -0.273 -5.547 1.00 0.00 C ATOM 0 H THR A 46 -14.696 -2.265 -9.488 1.00 0.00 H new ATOM 0 HA THR A 46 -13.210 -1.314 -7.953 1.00 0.00 H new ATOM 0 HB THR A 46 -15.352 0.364 -7.588 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.665 1.541 -6.408 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.496 0.709 -5.144 1.00 0.00 H new ATOM 0 HG22 THR A 46 -16.153 -0.873 -5.627 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.541 -0.770 -4.882 1.00 0.00 H new ATOM 460 N ALA A 47 -15.427 -3.144 -6.443 1.00 0.00 N ATOM 461 CA ALA A 47 -15.591 -4.311 -5.533 1.00 0.00 C ATOM 462 C ALA A 47 -15.820 -5.577 -6.333 1.00 0.00 C ATOM 463 O ALA A 47 -15.261 -6.610 -6.024 1.00 0.00 O ATOM 464 CB ALA A 47 -16.770 -4.073 -4.587 1.00 0.00 C ATOM 0 H ALA A 47 -16.286 -2.824 -6.891 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.679 -4.428 -4.947 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -16.884 -4.931 -3.924 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -16.585 -3.178 -3.993 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -17.682 -3.940 -5.169 1.00 0.00 H new ATOM 470 N ASN A 48 -16.637 -5.503 -7.350 1.00 0.00 N ATOM 471 CA ASN A 48 -16.940 -6.721 -8.192 1.00 0.00 C ATOM 472 C ASN A 48 -16.903 -7.974 -7.302 1.00 0.00 C ATOM 473 O ASN A 48 -17.568 -8.065 -6.290 1.00 0.00 O ATOM 474 CB ASN A 48 -15.876 -6.883 -9.295 1.00 0.00 C ATOM 475 CG ASN A 48 -14.491 -7.015 -8.654 1.00 0.00 C ATOM 476 OD1 ASN A 48 -13.928 -8.091 -8.621 1.00 0.00 O ATOM 477 ND2 ASN A 48 -13.913 -5.966 -8.140 1.00 0.00 N ATOM 0 H ASN A 48 -17.115 -4.651 -7.643 1.00 0.00 H new ATOM 0 HA ASN A 48 -17.924 -6.598 -8.644 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.094 -7.764 -9.899 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.898 -6.024 -9.965 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.991 -6.050 -7.712 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.383 -5.061 -8.166 1.00 0.00 H new ATOM 484 N ASN A 49 -16.072 -8.901 -7.664 1.00 0.00 N ATOM 485 CA ASN A 49 -15.877 -10.130 -6.872 1.00 0.00 C ATOM 486 C ASN A 49 -14.888 -9.772 -5.743 1.00 0.00 C ATOM 487 O ASN A 49 -14.093 -8.870 -5.918 1.00 0.00 O ATOM 488 CB ASN A 49 -15.255 -11.190 -7.797 1.00 0.00 C ATOM 489 CG ASN A 49 -16.054 -12.484 -7.763 1.00 0.00 C ATOM 490 OD1 ASN A 49 -15.654 -13.466 -7.168 1.00 0.00 O ATOM 491 ND2 ASN A 49 -17.166 -12.510 -8.405 1.00 0.00 N ATOM 0 H ASN A 49 -15.501 -8.852 -8.508 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.809 -10.514 -6.457 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.217 -10.809 -8.818 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.227 -11.386 -7.491 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.726 -13.362 -8.420 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -17.489 -11.678 -8.900 1.00 0.00 H new ATOM 498 N PRO A 50 -14.945 -10.454 -4.626 1.00 0.00 N ATOM 499 CA PRO A 50 -14.031 -10.150 -3.516 1.00 0.00 C ATOM 500 C PRO A 50 -12.600 -10.006 -4.019 1.00 0.00 C ATOM 501 O PRO A 50 -11.756 -9.476 -3.347 1.00 0.00 O ATOM 502 CB PRO A 50 -14.212 -11.309 -2.515 1.00 0.00 C ATOM 503 CG PRO A 50 -15.409 -12.170 -3.027 1.00 0.00 C ATOM 504 CD PRO A 50 -15.881 -11.563 -4.372 1.00 0.00 C ATOM 0 HA PRO A 50 -14.251 -9.197 -3.035 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -13.304 -11.909 -2.451 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -14.412 -10.927 -1.514 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -15.104 -13.208 -3.161 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -16.221 -12.168 -2.300 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -15.848 -12.301 -5.173 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -16.909 -11.207 -4.308 1.00 0.00 H new ATOM 512 N LEU A 51 -12.366 -10.413 -5.219 1.00 0.00 N ATOM 513 CA LEU A 51 -11.032 -10.260 -5.878 1.00 0.00 C ATOM 514 C LEU A 51 -10.359 -8.974 -5.445 1.00 0.00 C ATOM 515 O LEU A 51 -9.225 -8.905 -5.029 1.00 0.00 O ATOM 516 CB LEU A 51 -11.376 -10.095 -7.341 1.00 0.00 C ATOM 517 CG LEU A 51 -10.194 -10.438 -8.272 1.00 0.00 C ATOM 518 CD1 LEU A 51 -8.900 -9.774 -7.789 1.00 0.00 C ATOM 519 CD2 LEU A 51 -9.988 -11.961 -8.340 1.00 0.00 C ATOM 0 H LEU A 51 -13.067 -10.866 -5.805 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.373 -11.096 -5.643 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.224 -10.735 -7.585 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.690 -9.067 -7.523 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.435 -10.058 -9.265 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.084 -10.033 -8.464 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.030 -8.692 -7.775 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.665 -10.124 -6.784 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.151 -12.186 -9.001 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.776 -12.344 -7.342 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.891 -12.433 -8.726 1.00 0.00 H new ATOM 531 N TYR A 52 -11.119 -7.969 -5.604 1.00 0.00 N ATOM 532 CA TYR A 52 -10.718 -6.597 -5.303 1.00 0.00 C ATOM 533 C TYR A 52 -10.261 -6.586 -3.854 1.00 0.00 C ATOM 534 O TYR A 52 -9.252 -6.012 -3.494 1.00 0.00 O ATOM 535 CB TYR A 52 -11.968 -5.723 -5.542 1.00 0.00 C ATOM 536 CG TYR A 52 -12.220 -4.839 -4.329 1.00 0.00 C ATOM 537 CD1 TYR A 52 -11.615 -3.579 -4.235 1.00 0.00 C ATOM 538 CD2 TYR A 52 -13.036 -5.302 -3.288 1.00 0.00 C ATOM 539 CE1 TYR A 52 -11.836 -2.778 -3.108 1.00 0.00 C ATOM 540 CE2 TYR A 52 -13.254 -4.502 -2.159 1.00 0.00 C ATOM 541 CZ TYR A 52 -12.655 -3.239 -2.071 1.00 0.00 C ATOM 542 OH TYR A 52 -12.871 -2.450 -0.959 1.00 0.00 O ATOM 0 H TYR A 52 -12.073 -8.045 -5.956 1.00 0.00 H new ATOM 0 HA TYR A 52 -9.903 -6.217 -5.919 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -11.827 -5.106 -6.430 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -12.835 -6.356 -5.728 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -10.978 -3.225 -5.032 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -13.497 -6.276 -3.356 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -11.374 -1.804 -3.039 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -13.883 -4.859 -1.357 1.00 0.00 H new ATOM 0 HH TYR A 52 -13.464 -2.919 -0.335 1.00 0.00 H new ATOM 552 N LYS A 53 -11.015 -7.246 -3.032 1.00 0.00 N ATOM 553 CA LYS A 53 -10.675 -7.331 -1.592 1.00 0.00 C ATOM 554 C LYS A 53 -9.726 -8.495 -1.366 1.00 0.00 C ATOM 555 O LYS A 53 -8.999 -8.544 -0.394 1.00 0.00 O ATOM 556 CB LYS A 53 -11.954 -7.548 -0.779 1.00 0.00 C ATOM 557 CG LYS A 53 -11.672 -7.343 0.716 1.00 0.00 C ATOM 558 CD LYS A 53 -11.442 -5.849 1.028 1.00 0.00 C ATOM 559 CE LYS A 53 -11.770 -5.569 2.497 1.00 0.00 C ATOM 560 NZ LYS A 53 -13.248 -5.500 2.671 1.00 0.00 N ATOM 0 H LYS A 53 -11.867 -7.739 -3.301 1.00 0.00 H new ATOM 0 HA LYS A 53 -10.196 -6.405 -1.274 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.726 -6.853 -1.110 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.336 -8.554 -0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.510 -7.718 1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.795 -7.920 1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.407 -5.580 0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.068 -5.233 0.382 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.355 -6.354 3.129 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.312 -4.631 2.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.476 -4.838 3.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.686 -5.169 1.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.614 -6.444 2.907 1.00 0.00 H new ATOM 574 N GLU A 54 -9.747 -9.451 -2.249 1.00 0.00 N ATOM 575 CA GLU A 54 -8.853 -10.645 -2.067 1.00 0.00 C ATOM 576 C GLU A 54 -7.486 -10.384 -2.689 1.00 0.00 C ATOM 577 O GLU A 54 -6.504 -11.006 -2.340 1.00 0.00 O ATOM 578 CB GLU A 54 -9.498 -11.889 -2.692 1.00 0.00 C ATOM 579 CG GLU A 54 -10.552 -12.462 -1.739 1.00 0.00 C ATOM 580 CD GLU A 54 -9.859 -13.112 -0.541 1.00 0.00 C ATOM 581 OE1 GLU A 54 -9.355 -14.212 -0.697 1.00 0.00 O ATOM 582 OE2 GLU A 54 -9.843 -12.499 0.514 1.00 0.00 O ATOM 0 H GLU A 54 -10.334 -9.466 -3.083 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.718 -10.822 -1.000 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.959 -11.631 -3.645 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.736 -12.640 -2.899 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.220 -11.670 -1.400 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.167 -13.197 -2.259 1.00 0.00 H new ATOM 589 N ALA A 55 -7.418 -9.473 -3.601 1.00 0.00 N ATOM 590 CA ALA A 55 -6.113 -9.169 -4.247 1.00 0.00 C ATOM 591 C ALA A 55 -5.086 -8.870 -3.157 1.00 0.00 C ATOM 592 O ALA A 55 -3.900 -9.058 -3.337 1.00 0.00 O ATOM 593 CB ALA A 55 -6.261 -7.955 -5.164 1.00 0.00 C ATOM 0 H ALA A 55 -8.208 -8.920 -3.933 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.786 -10.022 -4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.303 -7.736 -5.635 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.003 -8.168 -5.933 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.583 -7.094 -4.578 1.00 0.00 H new ATOM 599 N THR A 56 -5.538 -8.420 -2.019 1.00 0.00 N ATOM 600 CA THR A 56 -4.611 -8.122 -0.912 1.00 0.00 C ATOM 601 C THR A 56 -4.278 -9.432 -0.214 1.00 0.00 C ATOM 602 O THR A 56 -3.166 -9.674 0.210 1.00 0.00 O ATOM 603 CB THR A 56 -5.316 -7.165 0.054 1.00 0.00 C ATOM 604 OG1 THR A 56 -6.715 -7.405 0.007 1.00 0.00 O ATOM 605 CG2 THR A 56 -5.040 -5.711 -0.343 1.00 0.00 C ATOM 0 H THR A 56 -6.522 -8.247 -1.815 1.00 0.00 H new ATOM 0 HA THR A 56 -3.692 -7.659 -1.270 1.00 0.00 H new ATOM 0 HB THR A 56 -4.939 -7.335 1.063 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.172 -6.797 0.624 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.547 -5.042 0.352 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.967 -5.522 -0.311 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.409 -5.533 -1.353 1.00 0.00 H new ATOM 613 N SER A 57 -5.248 -10.275 -0.117 1.00 0.00 N ATOM 614 CA SER A 57 -5.038 -11.596 0.528 1.00 0.00 C ATOM 615 C SER A 57 -4.078 -12.404 -0.340 1.00 0.00 C ATOM 616 O SER A 57 -3.417 -13.314 0.119 1.00 0.00 O ATOM 617 CB SER A 57 -6.375 -12.333 0.641 1.00 0.00 C ATOM 618 OG SER A 57 -6.225 -13.445 1.512 1.00 0.00 O ATOM 0 H SER A 57 -6.194 -10.109 -0.460 1.00 0.00 H new ATOM 0 HA SER A 57 -4.623 -11.465 1.528 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.144 -11.660 1.021 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.703 -12.669 -0.343 1.00 0.00 H new ATOM 0 HG SER A 57 -7.080 -13.919 1.588 1.00 0.00 H new ATOM 624 N THR A 58 -3.992 -12.061 -1.597 1.00 0.00 N ATOM 625 CA THR A 58 -3.076 -12.782 -2.505 1.00 0.00 C ATOM 626 C THR A 58 -1.666 -12.666 -1.944 1.00 0.00 C ATOM 627 O THR A 58 -0.780 -13.430 -2.270 1.00 0.00 O ATOM 628 CB THR A 58 -3.132 -12.150 -3.899 1.00 0.00 C ATOM 629 OG1 THR A 58 -4.488 -11.948 -4.271 1.00 0.00 O ATOM 630 CG2 THR A 58 -2.456 -13.079 -4.909 1.00 0.00 C ATOM 0 H THR A 58 -4.524 -11.306 -2.030 1.00 0.00 H new ATOM 0 HA THR A 58 -3.366 -13.830 -2.583 1.00 0.00 H new ATOM 0 HB THR A 58 -2.612 -11.192 -3.886 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.549 -11.851 -5.244 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.496 -12.629 -5.901 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.416 -13.233 -4.622 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.974 -14.038 -4.925 1.00 0.00 H new ATOM 638 N PHE A 59 -1.465 -11.700 -1.092 1.00 0.00 N ATOM 639 CA PHE A 59 -0.129 -11.493 -0.477 1.00 0.00 C ATOM 640 C PHE A 59 0.139 -12.603 0.520 1.00 0.00 C ATOM 641 O PHE A 59 1.185 -13.219 0.549 1.00 0.00 O ATOM 642 CB PHE A 59 -0.156 -10.155 0.259 1.00 0.00 C ATOM 643 CG PHE A 59 1.254 -9.686 0.531 1.00 0.00 C ATOM 644 CD1 PHE A 59 1.938 -10.143 1.663 1.00 0.00 C ATOM 645 CD2 PHE A 59 1.877 -8.793 -0.350 1.00 0.00 C ATOM 646 CE1 PHE A 59 3.245 -9.708 1.915 1.00 0.00 C ATOM 647 CE2 PHE A 59 3.183 -8.358 -0.098 1.00 0.00 C ATOM 648 CZ PHE A 59 3.867 -8.816 1.034 1.00 0.00 C ATOM 0 H PHE A 59 -2.181 -11.038 -0.793 1.00 0.00 H new ATOM 0 HA PHE A 59 0.650 -11.498 -1.240 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.686 -9.413 -0.338 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.701 -10.258 1.197 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.458 -10.831 2.343 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.349 -8.440 -1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.773 -10.061 2.789 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.663 -7.669 -0.777 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.875 -8.481 1.228 1.00 0.00 H new ATOM 658 N THR A 60 -0.821 -12.834 1.336 1.00 0.00 N ATOM 659 CA THR A 60 -0.707 -13.889 2.378 1.00 0.00 C ATOM 660 C THR A 60 -0.820 -15.261 1.712 1.00 0.00 C ATOM 661 O THR A 60 -0.356 -16.260 2.222 1.00 0.00 O ATOM 662 CB THR A 60 -1.821 -13.653 3.425 1.00 0.00 C ATOM 663 OG1 THR A 60 -1.235 -13.186 4.630 1.00 0.00 O ATOM 664 CG2 THR A 60 -2.621 -14.929 3.719 1.00 0.00 C ATOM 0 H THR A 60 -1.708 -12.330 1.335 1.00 0.00 H new ATOM 0 HA THR A 60 0.256 -13.850 2.886 1.00 0.00 H new ATOM 0 HB THR A 60 -2.510 -12.915 3.015 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.936 -13.033 5.297 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.391 -14.713 4.460 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.090 -15.284 2.801 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.951 -15.697 4.105 1.00 0.00 H new ATOM 672 N ASN A 61 -1.436 -15.299 0.578 1.00 0.00 N ATOM 673 CA ASN A 61 -1.597 -16.589 -0.149 1.00 0.00 C ATOM 674 C ASN A 61 -0.221 -17.145 -0.499 1.00 0.00 C ATOM 675 O ASN A 61 -0.082 -18.274 -0.927 1.00 0.00 O ATOM 676 CB ASN A 61 -2.380 -16.347 -1.436 1.00 0.00 C ATOM 677 CG ASN A 61 -2.731 -17.688 -2.083 1.00 0.00 C ATOM 678 OD1 ASN A 61 -3.569 -18.414 -1.587 1.00 0.00 O ATOM 679 ND2 ASN A 61 -2.122 -18.048 -3.180 1.00 0.00 N ATOM 0 H ASN A 61 -1.842 -14.488 0.112 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.132 -17.300 0.481 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.290 -15.787 -1.220 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.789 -15.743 -2.125 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.350 -18.939 -3.621 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.418 -17.438 -3.596 1.00 0.00 H new ATOM 686 N ILE A 62 0.794 -16.351 -0.317 1.00 0.00 N ATOM 687 CA ILE A 62 2.191 -16.797 -0.631 1.00 0.00 C ATOM 688 C ILE A 62 2.890 -17.110 0.681 1.00 0.00 C ATOM 689 O ILE A 62 3.837 -17.869 0.744 1.00 0.00 O ATOM 690 CB ILE A 62 2.938 -15.668 -1.373 1.00 0.00 C ATOM 691 CG1 ILE A 62 1.932 -14.842 -2.179 1.00 0.00 C ATOM 692 CG2 ILE A 62 3.984 -16.260 -2.325 1.00 0.00 C ATOM 693 CD1 ILE A 62 2.674 -13.770 -2.979 1.00 0.00 C ATOM 0 H ILE A 62 0.721 -15.398 0.040 1.00 0.00 H new ATOM 0 HA ILE A 62 2.178 -17.681 -1.268 1.00 0.00 H new ATOM 0 HB ILE A 62 3.441 -15.035 -0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.371 -15.490 -2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.209 -14.376 -1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.504 -15.453 -2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.703 -16.848 -1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.490 -16.900 -3.056 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.957 -13.183 -3.552 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.215 -13.116 -2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.379 -14.247 -3.660 1.00 0.00 H new ATOM 705 N THR A 63 2.400 -16.530 1.729 1.00 0.00 N ATOM 706 CA THR A 63 2.978 -16.762 3.082 1.00 0.00 C ATOM 707 C THR A 63 2.111 -17.805 3.778 1.00 0.00 C ATOM 708 O THR A 63 2.486 -18.398 4.770 1.00 0.00 O ATOM 709 CB THR A 63 3.003 -15.432 3.842 1.00 0.00 C ATOM 710 OG1 THR A 63 4.306 -14.875 3.760 1.00 0.00 O ATOM 711 CG2 THR A 63 2.619 -15.599 5.321 1.00 0.00 C ATOM 0 H THR A 63 1.606 -15.890 1.711 1.00 0.00 H new ATOM 0 HA THR A 63 4.002 -17.132 3.034 1.00 0.00 H new ATOM 0 HB THR A 63 2.267 -14.773 3.381 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.328 -14.023 4.243 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.651 -14.629 5.817 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.612 -16.009 5.391 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.321 -16.278 5.805 1.00 0.00 H new ATOM 719 N TYR A 64 0.948 -18.024 3.247 1.00 0.00 N ATOM 720 CA TYR A 64 0.024 -19.027 3.849 1.00 0.00 C ATOM 721 C TYR A 64 0.763 -20.349 4.064 1.00 0.00 C ATOM 722 O TYR A 64 0.265 -21.257 4.701 1.00 0.00 O ATOM 723 CB TYR A 64 -1.192 -19.243 2.927 1.00 0.00 C ATOM 724 CG TYR A 64 -0.847 -20.189 1.776 1.00 0.00 C ATOM 725 CD1 TYR A 64 0.321 -20.009 1.000 1.00 0.00 C ATOM 726 CD2 TYR A 64 -1.707 -21.259 1.486 1.00 0.00 C ATOM 727 CE1 TYR A 64 0.607 -20.895 -0.046 1.00 0.00 C ATOM 728 CE2 TYR A 64 -1.412 -22.139 0.438 1.00 0.00 C ATOM 729 CZ TYR A 64 -0.257 -21.956 -0.327 1.00 0.00 C ATOM 730 OH TYR A 64 0.030 -22.826 -1.360 1.00 0.00 O ATOM 0 H TYR A 64 0.591 -17.551 2.417 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.327 -18.656 4.812 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.021 -19.653 3.503 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.525 -18.285 2.528 1.00 0.00 H new ATOM 0 HD1 TYR A 64 0.991 -19.190 1.214 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -2.601 -21.404 2.074 1.00 0.00 H new ATOM 0 HE1 TYR A 64 1.500 -20.757 -0.638 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.078 -22.961 0.220 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.672 -23.507 -1.419 1.00 0.00 H new ATOM 740 N ARG A 65 1.943 -20.463 3.534 1.00 0.00 N ATOM 741 CA ARG A 65 2.718 -21.724 3.697 1.00 0.00 C ATOM 742 C ARG A 65 3.225 -21.822 5.133 1.00 0.00 C ATOM 743 O ARG A 65 3.559 -22.883 5.621 1.00 0.00 O ATOM 744 CB ARG A 65 3.901 -21.715 2.726 1.00 0.00 C ATOM 745 CG ARG A 65 4.713 -23.011 2.866 1.00 0.00 C ATOM 746 CD ARG A 65 5.868 -23.029 1.841 1.00 0.00 C ATOM 747 NE ARG A 65 5.958 -24.377 1.190 1.00 0.00 N ATOM 748 CZ ARG A 65 5.919 -25.478 1.895 1.00 0.00 C ATOM 749 NH1 ARG A 65 5.908 -25.431 3.199 1.00 0.00 N ATOM 750 NH2 ARG A 65 5.923 -26.634 1.290 1.00 0.00 N ATOM 0 H ARG A 65 2.409 -19.735 2.992 1.00 0.00 H new ATOM 0 HA ARG A 65 2.081 -22.582 3.482 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.540 -21.612 1.703 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.539 -20.854 2.927 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.113 -23.091 3.877 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.065 -23.874 2.710 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.705 -22.261 1.085 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.809 -22.793 2.338 1.00 0.00 H new ATOM 0 HE ARG A 65 6.052 -24.436 0.176 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.930 -24.530 3.677 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.877 -26.295 3.740 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.956 -26.676 0.271 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.893 -27.495 1.836 1.00 0.00 H new ATOM 764 N GLY A 66 3.278 -20.717 5.804 1.00 0.00 N ATOM 765 CA GLY A 66 3.759 -20.714 7.215 1.00 0.00 C ATOM 766 C GLY A 66 2.689 -21.319 8.125 1.00 0.00 C ATOM 767 O GLY A 66 2.642 -21.047 9.307 1.00 0.00 O ATOM 0 H GLY A 66 3.008 -19.804 5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.684 -21.285 7.295 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.985 -19.695 7.530 1.00 0.00 H new ATOM 771 N THR A 67 1.835 -22.147 7.584 1.00 0.00 N ATOM 772 CA THR A 67 0.775 -22.778 8.407 1.00 0.00 C ATOM 773 C THR A 67 -0.087 -23.680 7.521 1.00 0.00 C ATOM 774 O THR A 67 -0.920 -24.388 8.062 1.00 0.00 O ATOM 775 CB THR A 67 -0.108 -21.701 9.047 1.00 0.00 C ATOM 776 OG1 THR A 67 -1.337 -22.283 9.457 1.00 0.00 O ATOM 777 CG2 THR A 67 -0.385 -20.587 8.033 1.00 0.00 C ATOM 778 OXT THR A 67 0.102 -23.648 6.316 1.00 0.00 O ATOM 0 H THR A 67 1.831 -22.412 6.599 1.00 0.00 H new ATOM 0 HA THR A 67 1.242 -23.370 9.194 1.00 0.00 H new ATOM 0 HB THR A 67 0.406 -21.280 9.911 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.304 -23.252 9.313 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.013 -19.824 8.493 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.558 -20.139 7.718 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.897 -21.004 7.166 1.00 0.00 H new TER 786 THR A 67