USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=13 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 61:sc= 0.722 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -167:sc=-0.00345 (180deg=-0.186) USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0629) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.464 USER MOD Single : A 48 ASN : amide:sc= -14! C(o=-14!,f=-13!) USER MOD Single : A 49 ASN : amide:sc= -1.12 X(o=-1.1,f=-0.74) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 160:sc= -0.138 (180deg=-0.781) USER MOD Single : A 56 THR OG1 : rot 57:sc= 1.08 USER MOD Single : A 57 SER OG : rot 180:sc= -0.279 USER MOD Single : A 58 THR OG1 : rot 121:sc= 0.694 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.3) 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 11:sc= 0.035! USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 1.539 19.994 -6.068 1.00 0.00 N ATOM 2 CA LYS A 21 0.663 18.784 -5.939 1.00 0.00 C ATOM 3 C LYS A 21 0.337 18.348 -7.355 1.00 0.00 C ATOM 4 O LYS A 21 0.121 17.197 -7.656 1.00 0.00 O ATOM 5 CB LYS A 21 -0.643 19.129 -5.170 1.00 0.00 C ATOM 6 CG LYS A 21 -0.576 18.626 -3.704 1.00 0.00 C ATOM 7 CD LYS A 21 -1.192 17.225 -3.596 1.00 0.00 C ATOM 8 CE LYS A 21 -1.065 16.722 -2.156 1.00 0.00 C ATOM 9 NZ LYS A 21 -1.674 15.366 -2.049 1.00 0.00 N ATOM 0 HA LYS A 21 1.165 17.994 -5.380 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.801 20.207 -5.181 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.497 18.676 -5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.460 18.603 -3.367 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.108 19.317 -3.050 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.241 17.253 -3.892 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.687 16.540 -4.278 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.016 16.685 -1.863 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.563 17.411 -1.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.588 15.023 -1.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.679 15.415 -2.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.180 14.712 -2.690 1.00 0.00 H new ATOM 23 N LEU A 22 0.326 19.307 -8.204 1.00 0.00 N ATOM 24 CA LEU A 22 0.040 19.113 -9.639 1.00 0.00 C ATOM 25 C LEU A 22 0.750 17.874 -10.207 1.00 0.00 C ATOM 26 O LEU A 22 0.114 16.950 -10.672 1.00 0.00 O ATOM 27 CB LEU A 22 0.592 20.370 -10.299 1.00 0.00 C ATOM 28 CG LEU A 22 0.786 20.196 -11.807 1.00 0.00 C ATOM 29 CD1 LEU A 22 -0.508 19.678 -12.451 1.00 0.00 C ATOM 30 CD2 LEU A 22 1.152 21.550 -12.422 1.00 0.00 C ATOM 0 H LEU A 22 0.514 20.277 -7.952 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.024 18.956 -9.816 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.088 21.202 -10.116 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.546 20.630 -9.840 1.00 0.00 H new ATOM 0 HG LEU A 22 1.584 19.475 -11.986 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.358 19.558 -13.524 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.773 18.716 -12.012 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.313 20.391 -12.275 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.292 21.435 -13.497 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.350 22.264 -12.235 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.075 21.916 -11.973 1.00 0.00 H new ATOM 42 N LEU A 23 2.056 17.853 -10.203 1.00 0.00 N ATOM 43 CA LEU A 23 2.780 16.686 -10.776 1.00 0.00 C ATOM 44 C LEU A 23 2.907 15.646 -9.690 1.00 0.00 C ATOM 45 O LEU A 23 2.797 14.458 -9.913 1.00 0.00 O ATOM 46 CB LEU A 23 4.169 17.145 -11.262 1.00 0.00 C ATOM 47 CG LEU A 23 4.587 16.365 -12.528 1.00 0.00 C ATOM 48 CD1 LEU A 23 3.975 17.018 -13.774 1.00 0.00 C ATOM 49 CD2 LEU A 23 6.115 16.370 -12.659 1.00 0.00 C ATOM 0 H LEU A 23 2.650 18.593 -9.828 1.00 0.00 H new ATOM 0 HA LEU A 23 2.243 16.263 -11.625 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.151 18.214 -11.476 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.906 16.991 -10.473 1.00 0.00 H new ATOM 0 HG LEU A 23 4.228 15.339 -12.442 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.275 16.461 -14.661 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.888 17.011 -13.692 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.326 18.047 -13.855 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.405 15.819 -13.553 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.470 17.398 -12.735 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.557 15.897 -11.782 1.00 0.00 H new ATOM 61 N ILE A 24 3.115 16.106 -8.506 1.00 0.00 N ATOM 62 CA ILE A 24 3.237 15.186 -7.364 1.00 0.00 C ATOM 63 C ILE A 24 1.943 14.375 -7.317 1.00 0.00 C ATOM 64 O ILE A 24 1.867 13.320 -6.720 1.00 0.00 O ATOM 65 CB ILE A 24 3.442 16.006 -6.066 1.00 0.00 C ATOM 66 CG1 ILE A 24 4.003 17.430 -6.413 1.00 0.00 C ATOM 67 CG2 ILE A 24 4.405 15.253 -5.132 1.00 0.00 C ATOM 68 CD1 ILE A 24 4.884 17.965 -5.274 1.00 0.00 C ATOM 0 H ILE A 24 3.207 17.095 -8.276 1.00 0.00 H new ATOM 0 HA ILE A 24 4.092 14.517 -7.463 1.00 0.00 H new ATOM 0 HB ILE A 24 2.486 16.131 -5.558 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.583 17.382 -7.335 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.176 18.117 -6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.550 15.829 -4.218 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.984 14.279 -4.884 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.364 15.117 -5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.261 18.953 -5.539 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.294 18.034 -4.360 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.723 17.288 -5.114 1.00 0.00 H new ATOM 80 N THR A 25 0.928 14.871 -7.981 1.00 0.00 N ATOM 81 CA THR A 25 -0.376 14.150 -8.029 1.00 0.00 C ATOM 82 C THR A 25 -0.435 13.336 -9.324 1.00 0.00 C ATOM 83 O THR A 25 -0.973 12.248 -9.360 1.00 0.00 O ATOM 84 CB THR A 25 -1.522 15.164 -8.018 1.00 0.00 C ATOM 85 OG1 THR A 25 -1.552 15.829 -6.762 1.00 0.00 O ATOM 86 CG2 THR A 25 -2.853 14.442 -8.242 1.00 0.00 C ATOM 0 H THR A 25 0.950 15.752 -8.495 1.00 0.00 H new ATOM 0 HA THR A 25 -0.469 13.492 -7.165 1.00 0.00 H new ATOM 0 HB THR A 25 -1.367 15.891 -8.815 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.710 16.312 -6.627 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.666 15.168 -8.233 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.832 13.931 -9.205 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.009 13.712 -7.448 1.00 0.00 H new ATOM 94 N ILE A 26 0.125 13.853 -10.390 1.00 0.00 N ATOM 95 CA ILE A 26 0.105 13.096 -11.676 1.00 0.00 C ATOM 96 C ILE A 26 1.208 12.072 -11.652 1.00 0.00 C ATOM 97 O ILE A 26 1.029 10.908 -11.950 1.00 0.00 O ATOM 98 CB ILE A 26 0.362 14.049 -12.840 1.00 0.00 C ATOM 99 CG1 ILE A 26 -0.781 15.069 -12.934 1.00 0.00 C ATOM 100 CG2 ILE A 26 0.445 13.251 -14.147 1.00 0.00 C ATOM 101 CD1 ILE A 26 -0.316 16.291 -13.730 1.00 0.00 C ATOM 0 H ILE A 26 0.591 14.760 -10.424 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.866 12.617 -11.798 1.00 0.00 H new ATOM 0 HB ILE A 26 1.302 14.575 -12.675 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.647 14.616 -13.417 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.095 15.371 -11.935 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.629 13.932 -14.978 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.260 12.530 -14.082 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.494 12.723 -14.311 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.129 17.014 -13.795 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.537 16.749 -13.229 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.024 15.982 -14.734 1.00 0.00 H new ATOM 113 N HIS A 27 2.349 12.526 -11.303 1.00 0.00 N ATOM 114 CA HIS A 27 3.524 11.639 -11.242 1.00 0.00 C ATOM 115 C HIS A 27 3.235 10.504 -10.256 1.00 0.00 C ATOM 116 O HIS A 27 3.937 9.513 -10.207 1.00 0.00 O ATOM 117 CB HIS A 27 4.732 12.475 -10.791 1.00 0.00 C ATOM 118 CG HIS A 27 5.985 11.977 -11.452 1.00 0.00 C ATOM 119 ND1 HIS A 27 6.998 11.337 -10.758 1.00 0.00 N ATOM 120 CD2 HIS A 27 6.393 12.025 -12.759 1.00 0.00 C ATOM 121 CE1 HIS A 27 7.962 11.026 -11.646 1.00 0.00 C ATOM 122 NE2 HIS A 27 7.643 11.424 -12.881 1.00 0.00 N ATOM 0 H HIS A 27 2.531 13.497 -11.049 1.00 0.00 H new ATOM 0 HA HIS A 27 3.741 11.199 -12.215 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.572 13.523 -11.043 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.837 12.420 -9.708 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.831 12.462 -13.571 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.880 10.517 -11.391 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.196 11.312 -13.731 1.00 0.00 H new ATOM 130 N ASP A 28 2.190 10.641 -9.477 1.00 0.00 N ATOM 131 CA ASP A 28 1.826 9.575 -8.496 1.00 0.00 C ATOM 132 C ASP A 28 0.679 8.738 -9.065 1.00 0.00 C ATOM 133 O ASP A 28 0.739 7.525 -9.082 1.00 0.00 O ATOM 134 CB ASP A 28 1.378 10.213 -7.181 1.00 0.00 C ATOM 135 CG ASP A 28 2.589 10.813 -6.465 1.00 0.00 C ATOM 136 OD1 ASP A 28 3.366 11.486 -7.120 1.00 0.00 O ATOM 137 OD2 ASP A 28 2.718 10.587 -5.272 1.00 0.00 O ATOM 0 H ASP A 28 1.570 11.451 -9.480 1.00 0.00 H new ATOM 0 HA ASP A 28 2.694 8.941 -8.313 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.636 10.988 -7.375 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.900 9.466 -6.547 1.00 0.00 H new ATOM 142 N ARG A 29 -0.371 9.368 -9.534 1.00 0.00 N ATOM 143 CA ARG A 29 -1.500 8.576 -10.096 1.00 0.00 C ATOM 144 C ARG A 29 -0.943 7.628 -11.158 1.00 0.00 C ATOM 145 O ARG A 29 -1.587 6.688 -11.569 1.00 0.00 O ATOM 146 CB ARG A 29 -2.589 9.508 -10.683 1.00 0.00 C ATOM 147 CG ARG A 29 -2.282 9.899 -12.137 1.00 0.00 C ATOM 148 CD ARG A 29 -3.342 10.891 -12.632 1.00 0.00 C ATOM 149 NE ARG A 29 -3.173 12.202 -11.947 1.00 0.00 N ATOM 150 CZ ARG A 29 -3.751 13.267 -12.432 1.00 0.00 C ATOM 151 NH1 ARG A 29 -4.486 13.176 -13.507 1.00 0.00 N ATOM 152 NH2 ARG A 29 -3.597 14.421 -11.844 1.00 0.00 N ATOM 0 H ARG A 29 -0.491 10.381 -9.551 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.976 7.994 -9.307 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.557 9.010 -10.637 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.665 10.408 -10.073 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.290 10.346 -12.203 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.274 9.012 -12.770 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.254 11.021 -13.711 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.339 10.496 -12.439 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.607 12.268 -11.101 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.608 12.274 -13.967 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.938 14.007 -13.887 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.024 14.493 -11.003 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.050 15.252 -12.225 1.00 0.00 H new ATOM 166 N LYS A 30 0.261 7.868 -11.595 1.00 0.00 N ATOM 167 CA LYS A 30 0.867 6.974 -12.616 1.00 0.00 C ATOM 168 C LYS A 30 0.924 5.570 -12.030 1.00 0.00 C ATOM 169 O LYS A 30 0.529 4.603 -12.652 1.00 0.00 O ATOM 170 CB LYS A 30 2.282 7.453 -12.950 1.00 0.00 C ATOM 171 CG LYS A 30 2.782 6.732 -14.204 1.00 0.00 C ATOM 172 CD LYS A 30 4.150 7.287 -14.603 1.00 0.00 C ATOM 173 CE LYS A 30 4.502 6.813 -16.014 1.00 0.00 C ATOM 174 NZ LYS A 30 4.610 5.327 -16.026 1.00 0.00 N ATOM 0 H LYS A 30 0.850 8.643 -11.289 1.00 0.00 H new ATOM 0 HA LYS A 30 0.274 6.982 -13.530 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.284 8.531 -13.112 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.951 7.256 -12.113 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.854 5.661 -14.016 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.072 6.865 -15.020 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.137 8.376 -14.567 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.910 6.954 -13.896 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.738 7.138 -16.720 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.443 7.259 -16.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.059 5.019 -16.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.187 5.014 -15.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.660 4.909 -15.955 1.00 0.00 H new ATOM 188 N GLU A 31 1.388 5.459 -10.816 1.00 0.00 N ATOM 189 CA GLU A 31 1.444 4.129 -10.161 1.00 0.00 C ATOM 190 C GLU A 31 0.014 3.702 -9.841 1.00 0.00 C ATOM 191 O GLU A 31 -0.386 2.581 -10.082 1.00 0.00 O ATOM 192 CB GLU A 31 2.243 4.237 -8.862 1.00 0.00 C ATOM 193 CG GLU A 31 3.523 5.039 -9.112 1.00 0.00 C ATOM 194 CD GLU A 31 4.467 4.880 -7.919 1.00 0.00 C ATOM 195 OE1 GLU A 31 4.853 3.758 -7.640 1.00 0.00 O ATOM 196 OE2 GLU A 31 4.788 5.885 -7.305 1.00 0.00 O ATOM 0 H GLU A 31 1.731 6.236 -10.251 1.00 0.00 H new ATOM 0 HA GLU A 31 1.923 3.401 -10.816 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.642 4.722 -8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.491 3.242 -8.492 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.010 4.692 -10.023 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.282 6.092 -9.261 1.00 0.00 H new ATOM 203 N PHE A 32 -0.760 4.606 -9.307 1.00 0.00 N ATOM 204 CA PHE A 32 -2.171 4.283 -8.974 1.00 0.00 C ATOM 205 C PHE A 32 -2.878 3.851 -10.249 1.00 0.00 C ATOM 206 O PHE A 32 -3.467 2.791 -10.334 1.00 0.00 O ATOM 207 CB PHE A 32 -2.847 5.536 -8.380 1.00 0.00 C ATOM 208 CG PHE A 32 -3.901 5.136 -7.369 1.00 0.00 C ATOM 209 CD1 PHE A 32 -3.533 4.865 -6.046 1.00 0.00 C ATOM 210 CD2 PHE A 32 -5.242 5.039 -7.758 1.00 0.00 C ATOM 211 CE1 PHE A 32 -4.508 4.496 -5.109 1.00 0.00 C ATOM 212 CE2 PHE A 32 -6.216 4.670 -6.822 1.00 0.00 C ATOM 213 CZ PHE A 32 -5.849 4.400 -5.498 1.00 0.00 C ATOM 0 H PHE A 32 -0.472 5.559 -9.087 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.222 3.477 -8.242 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.099 6.170 -7.904 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.302 6.124 -9.177 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.498 4.940 -5.747 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.525 5.249 -8.779 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.225 4.286 -4.088 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.251 4.594 -7.122 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.601 4.117 -4.776 1.00 0.00 H new ATOM 223 N ALA A 33 -2.797 4.671 -11.237 1.00 0.00 N ATOM 224 CA ALA A 33 -3.435 4.345 -12.541 1.00 0.00 C ATOM 225 C ALA A 33 -2.824 3.052 -13.076 1.00 0.00 C ATOM 226 O ALA A 33 -3.411 2.367 -13.884 1.00 0.00 O ATOM 227 CB ALA A 33 -3.187 5.482 -13.534 1.00 0.00 C ATOM 0 H ALA A 33 -2.312 5.568 -11.207 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.510 4.220 -12.408 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.655 5.240 -14.488 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.614 6.406 -13.144 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.114 5.611 -13.679 1.00 0.00 H new ATOM 233 N LYS A 34 -1.647 2.708 -12.630 1.00 0.00 N ATOM 234 CA LYS A 34 -1.008 1.449 -13.109 1.00 0.00 C ATOM 235 C LYS A 34 -1.512 0.283 -12.259 1.00 0.00 C ATOM 236 O LYS A 34 -2.130 -0.638 -12.756 1.00 0.00 O ATOM 237 CB LYS A 34 0.516 1.565 -12.980 1.00 0.00 C ATOM 238 CG LYS A 34 1.198 0.284 -13.487 1.00 0.00 C ATOM 239 CD LYS A 34 0.880 0.063 -14.977 1.00 0.00 C ATOM 240 CE LYS A 34 1.979 -0.788 -15.626 1.00 0.00 C ATOM 241 NZ LYS A 34 3.171 0.064 -15.898 1.00 0.00 N ATOM 0 H LYS A 34 -1.100 3.243 -11.955 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.264 1.278 -14.155 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.871 2.423 -13.551 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.786 1.740 -11.939 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.276 0.358 -13.345 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.858 -0.572 -12.905 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.085 -0.433 -15.082 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.803 1.023 -15.487 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.251 -1.613 -14.968 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.613 -1.227 -16.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.816 -0.437 -16.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.867 0.956 -16.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.663 0.268 -15.005 1.00 0.00 H new ATOM 255 N PHE A 35 -1.258 0.314 -10.977 1.00 0.00 N ATOM 256 CA PHE A 35 -1.731 -0.797 -10.104 1.00 0.00 C ATOM 257 C PHE A 35 -3.222 -1.008 -10.325 1.00 0.00 C ATOM 258 O PHE A 35 -3.791 -1.994 -9.912 1.00 0.00 O ATOM 259 CB PHE A 35 -1.467 -0.455 -8.634 1.00 0.00 C ATOM 260 CG PHE A 35 0.009 -0.609 -8.330 1.00 0.00 C ATOM 261 CD1 PHE A 35 0.612 -1.871 -8.410 1.00 0.00 C ATOM 262 CD2 PHE A 35 0.774 0.507 -7.962 1.00 0.00 C ATOM 263 CE1 PHE A 35 1.975 -2.018 -8.126 1.00 0.00 C ATOM 264 CE2 PHE A 35 2.137 0.358 -7.678 1.00 0.00 C ATOM 265 CZ PHE A 35 2.737 -0.904 -7.760 1.00 0.00 C ATOM 0 H PHE A 35 -0.746 1.057 -10.500 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.192 -1.710 -10.355 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.786 0.566 -8.425 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.051 -1.110 -7.988 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.024 -2.732 -8.691 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.312 1.481 -7.898 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.438 -2.992 -8.190 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.726 1.218 -7.395 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.788 -1.017 -7.541 1.00 0.00 H new ATOM 275 N GLU A 36 -3.855 -0.095 -10.988 1.00 0.00 N ATOM 276 CA GLU A 36 -5.308 -0.246 -11.255 1.00 0.00 C ATOM 277 C GLU A 36 -5.563 -1.621 -11.868 1.00 0.00 C ATOM 278 O GLU A 36 -6.547 -2.274 -11.600 1.00 0.00 O ATOM 279 CB GLU A 36 -5.760 0.890 -12.187 1.00 0.00 C ATOM 280 CG GLU A 36 -5.476 0.528 -13.634 1.00 0.00 C ATOM 281 CD GLU A 36 -5.826 1.709 -14.542 1.00 0.00 C ATOM 282 OE1 GLU A 36 -5.819 2.827 -14.055 1.00 0.00 O ATOM 283 OE2 GLU A 36 -6.095 1.474 -15.709 1.00 0.00 O ATOM 0 H GLU A 36 -3.431 0.755 -11.360 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.885 -0.179 -10.332 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.826 1.077 -12.054 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.240 1.812 -11.927 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.425 0.265 -13.753 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.058 -0.348 -13.920 1.00 0.00 H new ATOM 290 N GLU A 37 -4.669 -2.034 -12.699 1.00 0.00 N ATOM 291 CA GLU A 37 -4.805 -3.354 -13.382 1.00 0.00 C ATOM 292 C GLU A 37 -4.895 -4.488 -12.353 1.00 0.00 C ATOM 293 O GLU A 37 -5.523 -5.501 -12.593 1.00 0.00 O ATOM 294 CB GLU A 37 -3.588 -3.584 -14.279 1.00 0.00 C ATOM 295 CG GLU A 37 -3.831 -4.803 -15.171 1.00 0.00 C ATOM 296 CD GLU A 37 -2.653 -4.977 -16.132 1.00 0.00 C ATOM 297 OE1 GLU A 37 -1.526 -4.944 -15.667 1.00 0.00 O ATOM 298 OE2 GLU A 37 -2.900 -5.141 -17.315 1.00 0.00 O ATOM 0 H GLU A 37 -3.829 -1.511 -12.946 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.717 -3.348 -13.979 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.404 -2.702 -14.893 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.698 -3.739 -13.669 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.949 -5.697 -14.559 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.756 -4.677 -15.733 1.00 0.00 H new ATOM 305 N GLU A 38 -4.265 -4.343 -11.220 1.00 0.00 N ATOM 306 CA GLU A 38 -4.304 -5.409 -10.203 1.00 0.00 C ATOM 307 C GLU A 38 -5.720 -5.561 -9.645 1.00 0.00 C ATOM 308 O GLU A 38 -6.317 -6.617 -9.714 1.00 0.00 O ATOM 309 CB GLU A 38 -3.363 -5.003 -9.079 1.00 0.00 C ATOM 310 CG GLU A 38 -1.905 -5.058 -9.560 1.00 0.00 C ATOM 311 CD GLU A 38 -0.967 -5.109 -8.351 1.00 0.00 C ATOM 312 OE1 GLU A 38 -1.458 -4.988 -7.241 1.00 0.00 O ATOM 313 OE2 GLU A 38 0.224 -5.269 -8.557 1.00 0.00 O ATOM 0 H GLU A 38 -3.722 -3.520 -10.961 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.005 -6.360 -10.644 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.604 -3.995 -8.740 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.497 -5.667 -8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.752 -5.935 -10.189 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.680 -4.184 -10.171 1.00 0.00 H new ATOM 320 N ARG A 39 -6.252 -4.510 -9.077 1.00 0.00 N ATOM 321 CA ARG A 39 -7.626 -4.561 -8.485 1.00 0.00 C ATOM 322 C ARG A 39 -8.632 -3.906 -9.414 1.00 0.00 C ATOM 323 O ARG A 39 -9.721 -3.623 -8.987 1.00 0.00 O ATOM 324 CB ARG A 39 -7.661 -3.888 -7.109 1.00 0.00 C ATOM 325 CG ARG A 39 -6.662 -2.724 -7.067 1.00 0.00 C ATOM 326 CD ARG A 39 -7.212 -1.635 -6.156 1.00 0.00 C ATOM 327 NE ARG A 39 -7.969 -2.256 -5.016 1.00 0.00 N ATOM 328 CZ ARG A 39 -8.222 -1.538 -3.954 1.00 0.00 C ATOM 329 NH1 ARG A 39 -7.808 -0.301 -3.894 1.00 0.00 N ATOM 330 NH2 ARG A 39 -8.884 -2.048 -2.953 1.00 0.00 N ATOM 0 H ARG A 39 -5.788 -3.605 -8.996 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.895 -5.610 -8.358 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.666 -3.523 -6.900 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.418 -4.615 -6.334 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.696 -3.070 -6.700 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.500 -2.330 -8.070 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.396 -1.024 -5.772 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.868 -0.973 -6.721 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.281 -3.225 -5.071 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.289 0.102 -4.674 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.004 0.263 -3.067 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.208 -3.014 -2.995 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.077 -1.481 -2.128 1.00 0.00 H new ATOM 344 N ALA A 40 -8.273 -3.645 -10.656 1.00 0.00 N ATOM 345 CA ALA A 40 -9.209 -3.002 -11.691 1.00 0.00 C ATOM 346 C ALA A 40 -10.697 -3.338 -11.467 1.00 0.00 C ATOM 347 O ALA A 40 -11.539 -3.150 -12.320 1.00 0.00 O ATOM 348 CB ALA A 40 -8.793 -3.453 -13.097 1.00 0.00 C ATOM 0 H ALA A 40 -7.343 -3.852 -11.021 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.111 -1.922 -11.578 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.454 -2.999 -13.835 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.766 -3.142 -13.290 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.862 -4.539 -13.166 1.00 0.00 H new ATOM 354 N ARG A 41 -10.993 -3.831 -10.343 1.00 0.00 N ATOM 355 CA ARG A 41 -12.331 -4.203 -9.944 1.00 0.00 C ATOM 356 C ARG A 41 -12.978 -3.027 -9.226 1.00 0.00 C ATOM 357 O ARG A 41 -14.166 -2.989 -9.042 1.00 0.00 O ATOM 358 CB ARG A 41 -12.125 -5.332 -8.981 1.00 0.00 C ATOM 359 CG ARG A 41 -11.438 -6.535 -9.710 1.00 0.00 C ATOM 360 CD ARG A 41 -10.254 -7.121 -8.894 1.00 0.00 C ATOM 361 NE ARG A 41 -9.045 -7.272 -9.775 1.00 0.00 N ATOM 362 CZ ARG A 41 -9.126 -7.833 -10.954 1.00 0.00 C ATOM 363 NH1 ARG A 41 -10.252 -8.353 -11.361 1.00 0.00 N ATOM 364 NH2 ARG A 41 -8.069 -7.897 -11.716 1.00 0.00 N ATOM 0 H ARG A 41 -10.296 -4.006 -9.620 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.970 -4.480 -10.783 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.508 -5.001 -8.146 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.082 -5.646 -8.565 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.175 -7.317 -9.889 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.077 -6.208 -10.685 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.022 -6.467 -8.054 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.533 -8.089 -8.477 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.142 -6.930 -9.446 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.075 -8.323 -10.759 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.309 -8.789 -12.281 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.183 -7.510 -11.392 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.129 -8.334 -12.636 1.00 0.00 H new ATOM 378 N ALA A 42 -12.200 -2.069 -8.798 1.00 0.00 N ATOM 379 CA ALA A 42 -12.805 -0.922 -8.058 1.00 0.00 C ATOM 380 C ALA A 42 -13.912 -0.303 -8.875 1.00 0.00 C ATOM 381 O ALA A 42 -14.975 0.032 -8.392 1.00 0.00 O ATOM 382 CB ALA A 42 -11.733 0.126 -7.751 1.00 0.00 C ATOM 0 H ALA A 42 -11.189 -2.029 -8.925 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.222 -1.289 -7.120 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.183 0.959 -7.211 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.950 -0.323 -7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.301 0.489 -8.684 1.00 0.00 H new ATOM 388 N LYS A 43 -13.646 -0.166 -10.102 1.00 0.00 N ATOM 389 CA LYS A 43 -14.617 0.417 -11.052 1.00 0.00 C ATOM 390 C LYS A 43 -15.901 -0.386 -11.131 1.00 0.00 C ATOM 391 O LYS A 43 -16.929 0.136 -11.514 1.00 0.00 O ATOM 392 CB LYS A 43 -13.972 0.457 -12.429 1.00 0.00 C ATOM 393 CG LYS A 43 -13.003 -0.750 -12.628 1.00 0.00 C ATOM 394 CD LYS A 43 -11.555 -0.238 -12.818 1.00 0.00 C ATOM 395 CE LYS A 43 -11.448 0.622 -14.095 1.00 0.00 C ATOM 396 NZ LYS A 43 -10.121 0.391 -14.731 1.00 0.00 N ATOM 0 H LYS A 43 -12.759 -0.441 -10.525 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.878 1.416 -10.702 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.745 0.438 -13.197 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.424 1.392 -12.551 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.053 -1.414 -11.765 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.309 -1.333 -13.497 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.254 0.350 -11.951 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.870 -1.083 -12.883 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.247 0.364 -14.790 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.568 1.677 -13.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.044 0.968 -15.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.367 0.657 -14.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.025 -0.615 -14.979 1.00 0.00 H new ATOM 410 N TRP A 44 -15.871 -1.631 -10.790 1.00 0.00 N ATOM 411 CA TRP A 44 -17.141 -2.430 -10.875 1.00 0.00 C ATOM 412 C TRP A 44 -17.171 -3.513 -9.804 1.00 0.00 C ATOM 413 O TRP A 44 -17.856 -4.510 -9.924 1.00 0.00 O ATOM 414 CB TRP A 44 -17.291 -3.066 -12.258 1.00 0.00 C ATOM 415 CG TRP A 44 -15.982 -3.547 -12.686 1.00 0.00 C ATOM 416 CD1 TRP A 44 -15.168 -2.832 -13.427 1.00 0.00 C ATOM 417 CD2 TRP A 44 -15.317 -4.811 -12.417 1.00 0.00 C ATOM 418 NE1 TRP A 44 -14.002 -3.530 -13.618 1.00 0.00 N ATOM 419 CE2 TRP A 44 -14.045 -4.764 -13.015 1.00 0.00 C ATOM 420 CE3 TRP A 44 -15.678 -5.968 -11.714 1.00 0.00 C ATOM 421 CZ2 TRP A 44 -13.149 -5.820 -12.914 1.00 0.00 C ATOM 422 CZ3 TRP A 44 -14.783 -7.048 -11.616 1.00 0.00 C ATOM 423 CH2 TRP A 44 -13.516 -6.970 -12.210 1.00 0.00 C ATOM 0 H TRP A 44 -15.048 -2.136 -10.461 1.00 0.00 H new ATOM 0 HA TRP A 44 -17.975 -1.748 -10.709 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -18.005 -3.889 -12.222 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -17.680 -2.338 -12.970 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -15.382 -1.850 -13.823 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -13.202 -3.176 -14.143 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -16.649 -6.031 -11.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -12.175 -5.753 -13.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -15.073 -7.940 -11.081 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -12.826 -7.796 -12.124 1.00 0.00 H new ATOM 434 N ASP A 45 -16.412 -3.334 -8.776 1.00 0.00 N ATOM 435 CA ASP A 45 -16.358 -4.366 -7.694 1.00 0.00 C ATOM 436 C ASP A 45 -15.489 -3.888 -6.554 1.00 0.00 C ATOM 437 O ASP A 45 -15.946 -3.668 -5.454 1.00 0.00 O ATOM 438 CB ASP A 45 -15.752 -5.656 -8.279 1.00 0.00 C ATOM 439 CG ASP A 45 -16.848 -6.716 -8.523 1.00 0.00 C ATOM 440 OD1 ASP A 45 -17.800 -6.752 -7.760 1.00 0.00 O ATOM 441 OD2 ASP A 45 -16.704 -7.483 -9.458 1.00 0.00 O ATOM 0 H ASP A 45 -15.819 -2.518 -8.626 1.00 0.00 H new ATOM 0 HA ASP A 45 -17.365 -4.548 -7.318 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -15.242 -5.431 -9.216 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -15.002 -6.053 -7.595 1.00 0.00 H new ATOM 446 N THR A 46 -14.238 -3.798 -6.822 1.00 0.00 N ATOM 447 CA THR A 46 -13.247 -3.407 -5.794 1.00 0.00 C ATOM 448 C THR A 46 -12.963 -4.628 -4.983 1.00 0.00 C ATOM 449 O THR A 46 -11.844 -4.908 -4.644 1.00 0.00 O ATOM 450 CB THR A 46 -13.759 -2.220 -4.926 1.00 0.00 C ATOM 451 OG1 THR A 46 -12.741 -1.230 -4.871 1.00 0.00 O ATOM 452 CG2 THR A 46 -14.104 -2.640 -3.483 1.00 0.00 C ATOM 0 H THR A 46 -13.839 -3.984 -7.742 1.00 0.00 H new ATOM 0 HA THR A 46 -12.329 -3.044 -6.256 1.00 0.00 H new ATOM 0 HB THR A 46 -14.671 -1.845 -5.389 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.049 -0.474 -4.329 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.455 -1.772 -2.925 1.00 0.00 H new ATOM 0 HG22 THR A 46 -14.886 -3.399 -3.502 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.215 -3.046 -3.000 1.00 0.00 H new ATOM 460 N ALA A 47 -13.978 -5.365 -4.694 1.00 0.00 N ATOM 461 CA ALA A 47 -13.792 -6.612 -3.905 1.00 0.00 C ATOM 462 C ALA A 47 -13.945 -7.834 -4.779 1.00 0.00 C ATOM 463 O ALA A 47 -13.183 -8.771 -4.655 1.00 0.00 O ATOM 464 CB ALA A 47 -14.809 -6.662 -2.763 1.00 0.00 C ATOM 0 H ALA A 47 -14.940 -5.164 -4.968 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.782 -6.608 -3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.667 -7.578 -2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -14.667 -5.800 -2.111 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -15.818 -6.644 -3.174 1.00 0.00 H new ATOM 470 N ASN A 48 -14.920 -7.836 -5.653 1.00 0.00 N ATOM 471 CA ASN A 48 -15.146 -9.034 -6.550 1.00 0.00 C ATOM 472 C ASN A 48 -14.700 -10.307 -5.803 1.00 0.00 C ATOM 473 O ASN A 48 -15.225 -10.670 -4.770 1.00 0.00 O ATOM 474 CB ASN A 48 -14.287 -8.883 -7.814 1.00 0.00 C ATOM 475 CG ASN A 48 -12.860 -8.523 -7.387 1.00 0.00 C ATOM 476 OD1 ASN A 48 -12.565 -7.376 -7.121 1.00 0.00 O ATOM 477 ND2 ASN A 48 -11.956 -9.460 -7.296 1.00 0.00 N ATOM 0 H ASN A 48 -15.574 -7.065 -5.792 1.00 0.00 H new ATOM 0 HA ASN A 48 -16.200 -9.102 -6.818 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.289 -9.810 -8.387 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.697 -8.107 -8.461 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.007 -9.227 -7.003 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.198 -10.426 -7.518 1.00 0.00 H new ATOM 484 N ASN A 49 -13.678 -10.922 -6.312 1.00 0.00 N ATOM 485 CA ASN A 49 -13.066 -12.109 -5.690 1.00 0.00 C ATOM 486 C ASN A 49 -11.976 -11.588 -4.726 1.00 0.00 C ATOM 487 O ASN A 49 -11.455 -10.513 -4.947 1.00 0.00 O ATOM 488 CB ASN A 49 -12.410 -12.945 -6.804 1.00 0.00 C ATOM 489 CG ASN A 49 -12.916 -14.378 -6.772 1.00 0.00 C ATOM 490 OD1 ASN A 49 -12.166 -15.321 -6.932 1.00 0.00 O ATOM 491 ND2 ASN A 49 -14.170 -14.558 -6.569 1.00 0.00 N ATOM 0 H ASN A 49 -13.224 -10.631 -7.178 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.795 -12.720 -5.158 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -12.627 -12.500 -7.775 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.327 -12.934 -6.683 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -14.551 -15.504 -6.540 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -14.786 -13.756 -6.437 1.00 0.00 H new ATOM 498 N PRO A 50 -11.651 -12.329 -3.694 1.00 0.00 N ATOM 499 CA PRO A 50 -10.623 -11.879 -2.742 1.00 0.00 C ATOM 500 C PRO A 50 -9.352 -11.449 -3.471 1.00 0.00 C ATOM 501 O PRO A 50 -8.457 -10.872 -2.895 1.00 0.00 O ATOM 502 CB PRO A 50 -10.398 -13.072 -1.790 1.00 0.00 C ATOM 503 CG PRO A 50 -11.408 -14.188 -2.207 1.00 0.00 C ATOM 504 CD PRO A 50 -12.245 -13.644 -3.391 1.00 0.00 C ATOM 0 HA PRO A 50 -10.932 -10.997 -2.181 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.372 -13.434 -1.862 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.559 -12.774 -0.754 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -10.878 -15.095 -2.498 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.055 -14.451 -1.370 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -12.193 -14.310 -4.252 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.297 -13.551 -3.123 1.00 0.00 H new ATOM 512 N LEU A 51 -9.313 -11.679 -4.735 1.00 0.00 N ATOM 513 CA LEU A 51 -8.168 -11.247 -5.579 1.00 0.00 C ATOM 514 C LEU A 51 -7.727 -9.853 -5.164 1.00 0.00 C ATOM 515 O LEU A 51 -6.582 -9.554 -4.893 1.00 0.00 O ATOM 516 CB LEU A 51 -8.757 -11.140 -6.968 1.00 0.00 C ATOM 517 CG LEU A 51 -7.685 -11.149 -8.081 1.00 0.00 C ATOM 518 CD1 LEU A 51 -6.490 -10.258 -7.720 1.00 0.00 C ATOM 519 CD2 LEU A 51 -7.189 -12.580 -8.330 1.00 0.00 C ATOM 0 H LEU A 51 -10.050 -12.166 -5.246 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.320 -11.927 -5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.447 -11.968 -7.129 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.340 -10.222 -7.040 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.150 -10.755 -8.985 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.757 -10.289 -8.526 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.831 -9.232 -7.579 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.032 -10.619 -6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.434 -12.572 -9.116 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.754 -12.979 -7.414 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.026 -13.207 -8.637 1.00 0.00 H new ATOM 531 N TYR A 52 -8.700 -9.025 -5.148 1.00 0.00 N ATOM 532 CA TYR A 52 -8.555 -7.609 -4.795 1.00 0.00 C ATOM 533 C TYR A 52 -7.831 -7.574 -3.457 1.00 0.00 C ATOM 534 O TYR A 52 -6.985 -6.743 -3.192 1.00 0.00 O ATOM 535 CB TYR A 52 -9.979 -7.019 -4.715 1.00 0.00 C ATOM 536 CG TYR A 52 -10.231 -6.489 -3.310 1.00 0.00 C ATOM 537 CD1 TYR A 52 -10.704 -7.349 -2.309 1.00 0.00 C ATOM 538 CD2 TYR A 52 -9.953 -5.152 -3.004 1.00 0.00 C ATOM 539 CE1 TYR A 52 -10.910 -6.869 -1.010 1.00 0.00 C ATOM 540 CE2 TYR A 52 -10.153 -4.672 -1.705 1.00 0.00 C ATOM 541 CZ TYR A 52 -10.634 -5.529 -0.708 1.00 0.00 C ATOM 542 OH TYR A 52 -10.833 -5.056 0.572 1.00 0.00 O ATOM 0 H TYR A 52 -9.657 -9.290 -5.381 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.985 -7.024 -5.516 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -10.093 -6.216 -5.444 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -10.715 -7.783 -4.964 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -10.910 -8.384 -2.540 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -9.583 -4.489 -3.772 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -11.281 -7.531 -0.242 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -9.936 -3.640 -1.471 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.592 -4.107 0.611 1.00 0.00 H new ATOM 552 N LYS A 53 -8.168 -8.519 -2.630 1.00 0.00 N ATOM 553 CA LYS A 53 -7.525 -8.629 -1.307 1.00 0.00 C ATOM 554 C LYS A 53 -6.193 -9.325 -1.506 1.00 0.00 C ATOM 555 O LYS A 53 -5.293 -9.227 -0.697 1.00 0.00 O ATOM 556 CB LYS A 53 -8.416 -9.443 -0.355 1.00 0.00 C ATOM 557 CG LYS A 53 -8.000 -9.191 1.108 1.00 0.00 C ATOM 558 CD LYS A 53 -8.689 -7.930 1.648 1.00 0.00 C ATOM 559 CE LYS A 53 -8.384 -7.785 3.141 1.00 0.00 C ATOM 560 NZ LYS A 53 -6.929 -7.999 3.374 1.00 0.00 N ATOM 0 H LYS A 53 -8.874 -9.229 -2.823 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.377 -7.643 -0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.461 -9.166 -0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.334 -10.505 -0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.267 -10.051 1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.918 -9.078 1.171 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.339 -7.051 1.107 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.766 -7.994 1.490 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.677 -6.794 3.488 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.965 -8.508 3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.659 -7.582 4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.726 -9.019 3.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.385 -7.546 2.612 1.00 0.00 H new ATOM 574 N GLU A 54 -6.059 -10.028 -2.598 1.00 0.00 N ATOM 575 CA GLU A 54 -4.756 -10.728 -2.857 1.00 0.00 C ATOM 576 C GLU A 54 -3.769 -9.735 -3.440 1.00 0.00 C ATOM 577 O GLU A 54 -2.588 -9.765 -3.160 1.00 0.00 O ATOM 578 CB GLU A 54 -4.935 -11.890 -3.834 1.00 0.00 C ATOM 579 CG GLU A 54 -5.918 -12.917 -3.255 1.00 0.00 C ATOM 580 CD GLU A 54 -5.189 -13.839 -2.272 1.00 0.00 C ATOM 581 OE1 GLU A 54 -4.344 -14.598 -2.718 1.00 0.00 O ATOM 582 OE2 GLU A 54 -5.489 -13.771 -1.092 1.00 0.00 O ATOM 0 H GLU A 54 -6.776 -10.150 -3.313 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.386 -11.128 -1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.305 -11.519 -4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.973 -12.364 -4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.736 -12.405 -2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.359 -13.505 -4.060 1.00 0.00 H new ATOM 589 N ALA A 55 -4.256 -8.853 -4.246 1.00 0.00 N ATOM 590 CA ALA A 55 -3.363 -7.832 -4.862 1.00 0.00 C ATOM 591 C ALA A 55 -2.663 -7.049 -3.751 1.00 0.00 C ATOM 592 O ALA A 55 -1.537 -6.620 -3.897 1.00 0.00 O ATOM 593 CB ALA A 55 -4.189 -6.877 -5.727 1.00 0.00 C ATOM 0 H ALA A 55 -5.239 -8.787 -4.512 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.620 -8.324 -5.489 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.532 -6.132 -6.176 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.690 -7.440 -6.514 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.934 -6.378 -5.108 1.00 0.00 H new ATOM 599 N THR A 56 -3.315 -6.875 -2.633 1.00 0.00 N ATOM 600 CA THR A 56 -2.685 -6.144 -1.514 1.00 0.00 C ATOM 601 C THR A 56 -1.692 -7.085 -0.847 1.00 0.00 C ATOM 602 O THR A 56 -0.657 -6.687 -0.349 1.00 0.00 O ATOM 603 CB THR A 56 -3.783 -5.717 -0.524 1.00 0.00 C ATOM 604 OG1 THR A 56 -4.935 -6.521 -0.734 1.00 0.00 O ATOM 605 CG2 THR A 56 -4.151 -4.242 -0.732 1.00 0.00 C ATOM 0 H THR A 56 -4.261 -7.212 -2.453 1.00 0.00 H new ATOM 0 HA THR A 56 -2.164 -5.251 -1.860 1.00 0.00 H new ATOM 0 HB THR A 56 -3.413 -5.846 0.493 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.698 -7.466 -0.630 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.929 -3.958 -0.023 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.270 -3.621 -0.572 1.00 0.00 H new ATOM 0 HG23 THR A 56 -4.516 -4.098 -1.749 1.00 0.00 H new ATOM 613 N SER A 57 -2.011 -8.335 -0.860 1.00 0.00 N ATOM 614 CA SER A 57 -1.109 -9.348 -0.257 1.00 0.00 C ATOM 615 C SER A 57 0.200 -9.348 -1.041 1.00 0.00 C ATOM 616 O SER A 57 1.234 -9.761 -0.554 1.00 0.00 O ATOM 617 CB SER A 57 -1.759 -10.731 -0.338 1.00 0.00 C ATOM 618 OG SER A 57 -3.112 -10.638 0.085 1.00 0.00 O ATOM 0 H SER A 57 -2.868 -8.709 -1.267 1.00 0.00 H new ATOM 0 HA SER A 57 -0.921 -9.110 0.790 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.710 -11.109 -1.359 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.217 -11.438 0.290 1.00 0.00 H new ATOM 0 HG SER A 57 -3.532 -11.522 0.033 1.00 0.00 H new ATOM 624 N THR A 58 0.159 -8.874 -2.259 1.00 0.00 N ATOM 625 CA THR A 58 1.385 -8.827 -3.087 1.00 0.00 C ATOM 626 C THR A 58 2.473 -8.122 -2.286 1.00 0.00 C ATOM 627 O THR A 58 3.652 -8.247 -2.551 1.00 0.00 O ATOM 628 CB THR A 58 1.106 -8.045 -4.373 1.00 0.00 C ATOM 629 OG1 THR A 58 -0.107 -8.504 -4.950 1.00 0.00 O ATOM 630 CG2 THR A 58 2.256 -8.255 -5.360 1.00 0.00 C ATOM 0 H THR A 58 -0.681 -8.516 -2.713 1.00 0.00 H new ATOM 0 HA THR A 58 1.703 -9.836 -3.349 1.00 0.00 H new ATOM 0 HB THR A 58 1.019 -6.983 -4.142 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.741 -7.759 -5.014 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.056 -7.698 -6.275 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.186 -7.901 -4.915 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.346 -9.316 -5.593 1.00 0.00 H new ATOM 638 N PHE A 59 2.062 -7.381 -1.296 1.00 0.00 N ATOM 639 CA PHE A 59 3.027 -6.646 -0.440 1.00 0.00 C ATOM 640 C PHE A 59 3.684 -7.619 0.518 1.00 0.00 C ATOM 641 O PHE A 59 4.886 -7.661 0.686 1.00 0.00 O ATOM 642 CB PHE A 59 2.242 -5.614 0.362 1.00 0.00 C ATOM 643 CG PHE A 59 3.186 -4.602 0.966 1.00 0.00 C ATOM 644 CD1 PHE A 59 3.524 -3.447 0.253 1.00 0.00 C ATOM 645 CD2 PHE A 59 3.724 -4.821 2.240 1.00 0.00 C ATOM 646 CE1 PHE A 59 4.400 -2.508 0.814 1.00 0.00 C ATOM 647 CE2 PHE A 59 4.599 -3.883 2.801 1.00 0.00 C ATOM 648 CZ PHE A 59 4.937 -2.728 2.087 1.00 0.00 C ATOM 0 H PHE A 59 1.083 -7.253 -1.042 1.00 0.00 H new ATOM 0 HA PHE A 59 3.792 -6.164 -1.049 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.521 -5.111 -0.283 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.674 -6.109 1.150 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.110 -3.279 -0.730 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.464 -5.713 2.790 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.660 -1.616 0.264 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.013 -4.051 3.784 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.613 -2.005 2.519 1.00 0.00 H new ATOM 658 N THR A 60 2.870 -8.389 1.139 1.00 0.00 N ATOM 659 CA THR A 60 3.361 -9.395 2.118 1.00 0.00 C ATOM 660 C THR A 60 3.943 -10.584 1.350 1.00 0.00 C ATOM 661 O THR A 60 4.747 -11.340 1.854 1.00 0.00 O ATOM 662 CB THR A 60 2.176 -9.806 3.023 1.00 0.00 C ATOM 663 OG1 THR A 60 2.365 -9.254 4.317 1.00 0.00 O ATOM 664 CG2 THR A 60 2.042 -11.329 3.144 1.00 0.00 C ATOM 0 H THR A 60 1.858 -8.373 1.016 1.00 0.00 H new ATOM 0 HA THR A 60 4.150 -8.991 2.752 1.00 0.00 H new ATOM 0 HB THR A 60 1.262 -9.425 2.567 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.616 -9.510 4.894 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.197 -11.570 3.789 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.879 -11.760 2.156 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.955 -11.742 3.573 1.00 0.00 H new ATOM 672 N ASN A 61 3.531 -10.739 0.136 1.00 0.00 N ATOM 673 CA ASN A 61 4.037 -11.867 -0.697 1.00 0.00 C ATOM 674 C ASN A 61 5.561 -11.805 -0.774 1.00 0.00 C ATOM 675 O ASN A 61 6.205 -12.700 -1.284 1.00 0.00 O ATOM 676 CB ASN A 61 3.465 -11.743 -2.105 1.00 0.00 C ATOM 677 CG ASN A 61 3.857 -12.970 -2.929 1.00 0.00 C ATOM 678 OD1 ASN A 61 3.638 -14.091 -2.513 1.00 0.00 O ATOM 679 ND2 ASN A 61 4.432 -12.806 -4.088 1.00 0.00 N ATOM 0 H ASN A 61 2.857 -10.130 -0.328 1.00 0.00 H new ATOM 0 HA ASN A 61 3.732 -12.813 -0.250 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.380 -11.654 -2.061 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.840 -10.837 -2.582 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.698 -13.618 -4.645 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.616 -11.866 -4.438 1.00 0.00 H new ATOM 686 N ILE A 62 6.134 -10.748 -0.272 1.00 0.00 N ATOM 687 CA ILE A 62 7.625 -10.587 -0.300 1.00 0.00 C ATOM 688 C ILE A 62 8.142 -10.772 1.117 1.00 0.00 C ATOM 689 O ILE A 62 9.295 -11.074 1.351 1.00 0.00 O ATOM 690 CB ILE A 62 7.980 -9.172 -0.815 1.00 0.00 C ATOM 691 CG1 ILE A 62 6.871 -8.681 -1.750 1.00 0.00 C ATOM 692 CG2 ILE A 62 9.308 -9.203 -1.579 1.00 0.00 C ATOM 693 CD1 ILE A 62 7.248 -7.311 -2.314 1.00 0.00 C ATOM 0 H ILE A 62 5.631 -9.975 0.164 1.00 0.00 H new ATOM 0 HA ILE A 62 8.080 -11.322 -0.963 1.00 0.00 H new ATOM 0 HB ILE A 62 8.075 -8.498 0.036 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.724 -9.393 -2.563 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.927 -8.616 -1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 62 9.546 -8.201 -1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 62 10.101 -9.550 -0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 62 9.223 -9.880 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.459 -6.962 -2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.373 -6.602 -1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.182 -7.391 -2.870 1.00 0.00 H new ATOM 705 N THR A 63 7.269 -10.600 2.059 1.00 0.00 N ATOM 706 CA THR A 63 7.639 -10.766 3.495 1.00 0.00 C ATOM 707 C THR A 63 7.123 -12.126 3.953 1.00 0.00 C ATOM 708 O THR A 63 7.523 -12.656 4.970 1.00 0.00 O ATOM 709 CB THR A 63 7.020 -9.617 4.300 1.00 0.00 C ATOM 710 OG1 THR A 63 8.004 -8.613 4.504 1.00 0.00 O ATOM 711 CG2 THR A 63 6.488 -10.083 5.664 1.00 0.00 C ATOM 0 H THR A 63 6.294 -10.346 1.898 1.00 0.00 H new ATOM 0 HA THR A 63 8.718 -10.732 3.644 1.00 0.00 H new ATOM 0 HB THR A 63 6.176 -9.228 3.730 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.616 -7.874 5.017 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.059 -9.234 6.197 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.721 -10.843 5.515 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.306 -10.503 6.249 1.00 0.00 H new ATOM 719 N TYR A 64 6.237 -12.687 3.189 1.00 0.00 N ATOM 720 CA TYR A 64 5.677 -14.020 3.548 1.00 0.00 C ATOM 721 C TYR A 64 6.814 -15.037 3.664 1.00 0.00 C ATOM 722 O TYR A 64 6.630 -16.146 4.123 1.00 0.00 O ATOM 723 CB TYR A 64 4.668 -14.475 2.476 1.00 0.00 C ATOM 724 CG TYR A 64 5.389 -15.079 1.268 1.00 0.00 C ATOM 725 CD1 TYR A 64 6.488 -14.425 0.667 1.00 0.00 C ATOM 726 CD2 TYR A 64 4.950 -16.307 0.750 1.00 0.00 C ATOM 727 CE1 TYR A 64 7.128 -15.005 -0.436 1.00 0.00 C ATOM 728 CE2 TYR A 64 5.596 -16.880 -0.351 1.00 0.00 C ATOM 729 CZ TYR A 64 6.682 -16.229 -0.944 1.00 0.00 C ATOM 730 OH TYR A 64 7.315 -16.796 -2.032 1.00 0.00 O ATOM 0 H TYR A 64 5.872 -12.282 2.327 1.00 0.00 H new ATOM 0 HA TYR A 64 5.161 -13.947 4.505 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.985 -15.210 2.902 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.063 -13.626 2.157 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.834 -13.479 1.057 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.110 -16.812 1.203 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.968 -14.505 -0.895 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.255 -17.827 -0.743 1.00 0.00 H new ATOM 0 HH TYR A 64 6.881 -17.646 -2.257 1.00 0.00 H new ATOM 740 N ARG A 65 7.982 -14.663 3.239 1.00 0.00 N ATOM 741 CA ARG A 65 9.136 -15.600 3.306 1.00 0.00 C ATOM 742 C ARG A 65 9.592 -15.738 4.756 1.00 0.00 C ATOM 743 O ARG A 65 10.262 -16.681 5.128 1.00 0.00 O ATOM 744 CB ARG A 65 10.278 -15.048 2.451 1.00 0.00 C ATOM 745 CG ARG A 65 11.406 -16.078 2.358 1.00 0.00 C ATOM 746 CD ARG A 65 12.570 -15.488 1.559 1.00 0.00 C ATOM 747 NE ARG A 65 12.245 -15.524 0.106 1.00 0.00 N ATOM 748 CZ ARG A 65 12.944 -14.814 -0.737 1.00 0.00 C ATOM 749 NH1 ARG A 65 13.929 -14.073 -0.307 1.00 0.00 N ATOM 750 NH2 ARG A 65 12.661 -14.846 -2.010 1.00 0.00 N ATOM 0 H ARG A 65 8.191 -13.745 2.846 1.00 0.00 H new ATOM 0 HA ARG A 65 8.842 -16.580 2.929 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.912 -14.806 1.453 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.654 -14.122 2.886 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.741 -16.357 3.357 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.044 -16.987 1.877 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.758 -14.462 1.875 1.00 0.00 H new ATOM 0 HD3 ARG A 65 13.481 -16.054 1.753 1.00 0.00 H new ATOM 0 HE ARG A 65 11.476 -16.104 -0.230 1.00 0.00 H new ATOM 0 HH11 ARG A 65 14.152 -14.049 0.688 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.475 -13.518 -0.966 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.893 -15.426 -2.347 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.208 -14.291 -2.668 1.00 0.00 H new ATOM 764 N GLY A 66 9.222 -14.804 5.572 1.00 0.00 N ATOM 765 CA GLY A 66 9.615 -14.856 7.010 1.00 0.00 C ATOM 766 C GLY A 66 11.027 -14.292 7.175 1.00 0.00 C ATOM 767 O GLY A 66 11.731 -14.618 8.111 1.00 0.00 O ATOM 0 H GLY A 66 8.658 -13.996 5.309 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.910 -14.282 7.611 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.578 -15.884 7.371 1.00 0.00 H new ATOM 771 N THR A 67 11.447 -13.446 6.275 1.00 0.00 N ATOM 772 CA THR A 67 12.814 -12.861 6.382 1.00 0.00 C ATOM 773 C THR A 67 13.832 -13.981 6.611 1.00 0.00 C ATOM 774 O THR A 67 14.579 -13.887 7.571 1.00 0.00 O ATOM 775 CB THR A 67 12.860 -11.882 7.557 1.00 0.00 C ATOM 776 OG1 THR A 67 12.875 -12.610 8.778 1.00 0.00 O ATOM 777 CG2 THR A 67 11.628 -10.976 7.518 1.00 0.00 C ATOM 778 OXT THR A 67 13.847 -14.912 5.824 1.00 0.00 O ATOM 0 H THR A 67 10.903 -13.134 5.470 1.00 0.00 H new ATOM 0 HA THR A 67 13.056 -12.333 5.460 1.00 0.00 H new ATOM 0 HB THR A 67 13.760 -11.271 7.486 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.021 -13.561 8.590 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.662 -10.279 8.356 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.616 -10.418 6.582 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.726 -11.585 7.589 1.00 0.00 H new TER 786 THR A 67