USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 598 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 76 GLN : amide:sc= -3.87! C(o=-3.3!,f=-6.7!) USER MOD Set 1.2: A 77 THR OG1 : rot -21:sc= 0.562 USER MOD Set 2.1: A 56 GLN : amide:sc= -7.62! C(o=-10!,f=-3.8!) USER MOD Set 2.2: A 62 SER OG : rot 118:sc= -2.66! USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= -6.67! C(o=-6.7!,f=-12!) USER MOD Single : A 25 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.16) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -43:sc= 0.0182 USER MOD Single : A 33 SER OG : rot -87:sc= -1.68 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 130:sc= -1.51! USER MOD Single : A 43 THR OG1 : rot -54:sc= -1.72! USER MOD Single : A 49 MET CE :methyl -152:sc= -0.273 (180deg=-1.06) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -164:sc=-0.00122 (180deg=-0.175) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.0138 X(o=-0.014,f=-0.11) USER MOD Single : A 83 MET CE :methyl -152:sc= -4.24! (180deg=-6.21!) USER MOD Single : A 86 ASN : amide:sc= -2.02 K(o=-2,f=-6.9!) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.00037) USER MOD ----------------------------------------------------------------- ATOM 17 N THR A 22 4.328 -0.350 -2.022 1.00 0.00 N ATOM 18 CA THR A 22 5.771 -0.468 -1.903 1.00 0.00 C ATOM 19 C THR A 22 6.467 0.553 -2.806 1.00 0.00 C ATOM 20 O THR A 22 6.108 0.699 -3.973 1.00 0.00 O ATOM 21 CB THR A 22 6.155 -1.916 -2.214 1.00 0.00 C ATOM 22 OG1 THR A 22 7.262 -2.174 -1.355 1.00 0.00 O ATOM 23 CG2 THR A 22 6.730 -2.079 -3.622 1.00 0.00 C ATOM 0 HA THR A 22 6.104 -0.239 -0.891 1.00 0.00 H new ATOM 0 HB THR A 22 5.279 -2.556 -2.103 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.574 -3.093 -1.490 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.986 -3.125 -3.792 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.989 -1.763 -4.356 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.625 -1.465 -3.723 1.00 0.00 H new ATOM 31 N HIS A 23 7.449 1.231 -2.232 1.00 0.00 N ATOM 32 CA HIS A 23 8.197 2.234 -2.970 1.00 0.00 C ATOM 33 C HIS A 23 9.256 1.549 -3.837 1.00 0.00 C ATOM 34 O HIS A 23 10.118 0.837 -3.324 1.00 0.00 O ATOM 35 CB HIS A 23 8.793 3.276 -2.022 1.00 0.00 C ATOM 36 CG HIS A 23 9.949 4.051 -2.607 1.00 0.00 C ATOM 37 ND1 HIS A 23 10.189 4.125 -3.968 1.00 0.00 N ATOM 38 CD2 HIS A 23 10.927 4.785 -2.003 1.00 0.00 C ATOM 39 CE1 HIS A 23 11.266 4.871 -4.163 1.00 0.00 C ATOM 40 NE2 HIS A 23 11.723 5.279 -2.944 1.00 0.00 N ATOM 0 H HIS A 23 7.744 1.106 -1.264 1.00 0.00 H new ATOM 0 HA HIS A 23 7.525 2.776 -3.636 1.00 0.00 H new ATOM 0 HB2 HIS A 23 8.010 3.976 -1.731 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.128 2.776 -1.113 1.00 0.00 H new ATOM 0 HD1 HIS A 23 9.631 3.681 -4.697 1.00 0.00 H new ATOM 0 HD2 HIS A 23 11.036 4.938 -0.939 1.00 0.00 H new ATOM 0 HE1 HIS A 23 11.705 5.114 -5.119 1.00 0.00 H new ATOM 48 N ILE A 24 9.155 1.787 -5.137 1.00 0.00 N ATOM 49 CA ILE A 24 10.093 1.202 -6.080 1.00 0.00 C ATOM 50 C ILE A 24 10.176 2.086 -7.325 1.00 0.00 C ATOM 51 O ILE A 24 9.477 3.094 -7.423 1.00 0.00 O ATOM 52 CB ILE A 24 9.714 -0.250 -6.380 1.00 0.00 C ATOM 53 CG1 ILE A 24 8.439 -0.321 -7.223 1.00 0.00 C ATOM 54 CG2 ILE A 24 9.595 -1.064 -5.090 1.00 0.00 C ATOM 55 CD1 ILE A 24 8.221 -1.733 -7.770 1.00 0.00 C ATOM 0 H ILE A 24 8.438 2.377 -5.559 1.00 0.00 H new ATOM 0 HA ILE A 24 11.094 1.164 -5.649 1.00 0.00 H new ATOM 0 HB ILE A 24 10.515 -0.697 -6.969 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.582 -0.025 -6.618 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.505 0.387 -8.049 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.325 -2.092 -5.332 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.550 -1.054 -4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.826 -0.627 -4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.308 -1.756 -8.365 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.069 -2.016 -8.394 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.131 -2.435 -6.941 1.00 0.00 H new ATOM 67 N ASN A 25 11.036 1.677 -8.246 1.00 0.00 N ATOM 68 CA ASN A 25 11.219 2.420 -9.482 1.00 0.00 C ATOM 69 C ASN A 25 10.246 1.893 -10.538 1.00 0.00 C ATOM 70 O ASN A 25 9.694 0.803 -10.390 1.00 0.00 O ATOM 71 CB ASN A 25 12.640 2.249 -10.021 1.00 0.00 C ATOM 72 CG ASN A 25 12.849 0.839 -10.578 1.00 0.00 C ATOM 73 OD1 ASN A 25 12.679 0.578 -11.758 1.00 0.00 O ATOM 74 ND2 ASN A 25 13.227 -0.052 -9.666 1.00 0.00 N ATOM 0 H ASN A 25 11.614 0.841 -8.161 1.00 0.00 H new ATOM 0 HA ASN A 25 11.037 3.474 -9.272 1.00 0.00 H new ATOM 0 HB2 ASN A 25 12.827 2.984 -10.803 1.00 0.00 H new ATOM 0 HB3 ASN A 25 13.360 2.440 -9.225 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.393 -1.021 -9.938 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.351 0.234 -8.695 1.00 0.00 H new ATOM 81 N LEU A 26 10.064 2.691 -11.580 1.00 0.00 N ATOM 82 CA LEU A 26 9.166 2.318 -12.660 1.00 0.00 C ATOM 83 C LEU A 26 9.818 2.663 -14.001 1.00 0.00 C ATOM 84 O LEU A 26 10.516 3.670 -14.115 1.00 0.00 O ATOM 85 CB LEU A 26 7.792 2.961 -12.461 1.00 0.00 C ATOM 86 CG LEU A 26 6.960 3.170 -13.728 1.00 0.00 C ATOM 87 CD1 LEU A 26 5.576 2.532 -13.585 1.00 0.00 C ATOM 88 CD2 LEU A 26 6.872 4.654 -14.088 1.00 0.00 C ATOM 0 H LEU A 26 10.523 3.594 -11.699 1.00 0.00 H new ATOM 0 HA LEU A 26 8.992 1.242 -12.656 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.219 2.341 -11.772 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.932 3.928 -11.978 1.00 0.00 H new ATOM 0 HG LEU A 26 7.463 2.668 -14.554 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.004 2.695 -14.499 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.685 1.462 -13.411 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.052 2.985 -12.744 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.275 4.774 -14.992 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.404 5.200 -13.269 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.874 5.047 -14.260 1.00 0.00 H new ATOM 100 N LYS A 27 9.568 1.808 -14.981 1.00 0.00 N ATOM 101 CA LYS A 27 10.122 2.009 -16.309 1.00 0.00 C ATOM 102 C LYS A 27 9.047 1.710 -17.356 1.00 0.00 C ATOM 103 O LYS A 27 8.420 0.653 -17.322 1.00 0.00 O ATOM 104 CB LYS A 27 11.400 1.187 -16.487 1.00 0.00 C ATOM 105 CG LYS A 27 12.222 1.700 -17.672 1.00 0.00 C ATOM 106 CD LYS A 27 11.673 1.161 -18.994 1.00 0.00 C ATOM 107 CE LYS A 27 12.649 0.168 -19.629 1.00 0.00 C ATOM 108 NZ LYS A 27 12.407 -1.198 -19.114 1.00 0.00 N ATOM 0 H LYS A 27 8.989 0.974 -14.882 1.00 0.00 H new ATOM 0 HA LYS A 27 10.419 3.049 -16.444 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.998 1.236 -15.577 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.144 0.139 -16.644 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.207 2.790 -17.685 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.263 1.397 -17.556 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.713 0.674 -18.822 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.492 1.988 -19.681 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.535 0.180 -20.713 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.674 0.468 -19.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.078 -1.859 -19.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.538 -1.208 -18.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.435 -1.488 -19.342 1.00 0.00 H new ATOM 121 N VAL A 28 8.869 2.660 -18.262 1.00 0.00 N ATOM 122 CA VAL A 28 7.881 2.511 -19.317 1.00 0.00 C ATOM 123 C VAL A 28 8.587 2.507 -20.675 1.00 0.00 C ATOM 124 O VAL A 28 9.390 3.393 -20.964 1.00 0.00 O ATOM 125 CB VAL A 28 6.820 3.608 -19.199 1.00 0.00 C ATOM 126 CG1 VAL A 28 6.690 4.092 -17.754 1.00 0.00 C ATOM 127 CG2 VAL A 28 7.128 4.772 -20.142 1.00 0.00 C ATOM 0 H VAL A 28 9.392 3.535 -18.287 1.00 0.00 H new ATOM 0 HA VAL A 28 7.359 1.559 -19.219 1.00 0.00 H new ATOM 0 HB VAL A 28 5.862 3.181 -19.496 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.930 4.871 -17.698 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.402 3.257 -17.115 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.646 4.493 -17.417 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.359 5.537 -20.038 1.00 0.00 H new ATOM 0 HG22 VAL A 28 8.100 5.197 -19.890 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.145 4.412 -21.171 1.00 0.00 H new ATOM 137 N SER A 29 8.262 1.499 -21.471 1.00 0.00 N ATOM 138 CA SER A 29 8.856 1.367 -22.791 1.00 0.00 C ATOM 139 C SER A 29 7.758 1.302 -23.854 1.00 0.00 C ATOM 140 O SER A 29 6.778 0.575 -23.696 1.00 0.00 O ATOM 141 CB SER A 29 9.748 0.127 -22.872 1.00 0.00 C ATOM 142 OG SER A 29 9.126 -1.017 -22.295 1.00 0.00 O ATOM 0 H SER A 29 7.595 0.766 -21.228 1.00 0.00 H new ATOM 0 HA SER A 29 9.480 2.242 -22.975 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.989 -0.079 -23.915 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.690 0.324 -22.360 1.00 0.00 H new ATOM 0 HG SER A 29 9.727 -1.788 -22.368 1.00 0.00 H new ATOM 148 N ASP A 30 7.958 2.071 -24.914 1.00 0.00 N ATOM 149 CA ASP A 30 6.997 2.109 -26.003 1.00 0.00 C ATOM 150 C ASP A 30 7.722 2.455 -27.306 1.00 0.00 C ATOM 151 O ASP A 30 8.889 2.842 -27.286 1.00 0.00 O ATOM 152 CB ASP A 30 5.930 3.178 -25.759 1.00 0.00 C ATOM 153 CG ASP A 30 5.237 3.701 -27.019 1.00 0.00 C ATOM 154 OD1 ASP A 30 4.082 3.351 -27.305 1.00 0.00 O ATOM 155 OD2 ASP A 30 5.943 4.511 -27.732 1.00 0.00 O ATOM 0 H ASP A 30 8.772 2.673 -25.042 1.00 0.00 H new ATOM 0 HA ASP A 30 6.521 1.131 -26.066 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.173 2.768 -25.090 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.392 4.019 -25.241 1.00 0.00 H new ATOM 161 N GLY A 31 7.000 2.302 -28.406 1.00 0.00 N ATOM 162 CA GLY A 31 7.560 2.593 -29.715 1.00 0.00 C ATOM 163 C GLY A 31 8.808 3.469 -29.595 1.00 0.00 C ATOM 164 O GLY A 31 9.930 2.977 -29.707 1.00 0.00 O ATOM 0 H GLY A 31 6.032 1.980 -28.418 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.813 1.662 -30.222 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.815 3.098 -30.329 1.00 0.00 H new ATOM 168 N SER A 32 8.572 4.753 -29.368 1.00 0.00 N ATOM 169 CA SER A 32 9.663 5.702 -29.231 1.00 0.00 C ATOM 170 C SER A 32 9.608 6.369 -27.855 1.00 0.00 C ATOM 171 O SER A 32 10.477 7.170 -27.514 1.00 0.00 O ATOM 172 CB SER A 32 9.615 6.760 -30.336 1.00 0.00 C ATOM 173 OG SER A 32 10.880 7.386 -30.531 1.00 0.00 O ATOM 0 H SER A 32 7.640 5.158 -29.276 1.00 0.00 H new ATOM 0 HA SER A 32 10.603 5.158 -29.326 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.293 6.296 -31.268 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.872 7.516 -30.082 1.00 0.00 H new ATOM 0 HG SER A 32 11.285 7.583 -29.661 1.00 0.00 H new ATOM 179 N SER A 33 8.577 6.014 -27.102 1.00 0.00 N ATOM 180 CA SER A 33 8.397 6.569 -25.771 1.00 0.00 C ATOM 181 C SER A 33 8.887 5.572 -24.719 1.00 0.00 C ATOM 182 O SER A 33 8.179 4.628 -24.375 1.00 0.00 O ATOM 183 CB SER A 33 6.931 6.929 -25.519 1.00 0.00 C ATOM 184 OG SER A 33 6.761 7.652 -24.302 1.00 0.00 O ATOM 0 H SER A 33 7.858 5.349 -27.388 1.00 0.00 H new ATOM 0 HA SER A 33 8.986 7.484 -25.698 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.556 7.525 -26.351 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.334 6.017 -25.486 1.00 0.00 H new ATOM 0 HG SER A 33 6.651 7.022 -23.560 1.00 0.00 H new ATOM 190 N GLU A 34 10.097 5.818 -24.237 1.00 0.00 N ATOM 191 CA GLU A 34 10.691 4.954 -23.230 1.00 0.00 C ATOM 192 C GLU A 34 11.515 5.780 -22.241 1.00 0.00 C ATOM 193 O GLU A 34 12.535 6.360 -22.610 1.00 0.00 O ATOM 194 CB GLU A 34 11.545 3.863 -23.879 1.00 0.00 C ATOM 195 CG GLU A 34 12.432 3.171 -22.842 1.00 0.00 C ATOM 196 CD GLU A 34 13.911 3.457 -23.107 1.00 0.00 C ATOM 197 OE1 GLU A 34 14.246 4.492 -23.702 1.00 0.00 O ATOM 198 OE2 GLU A 34 14.727 2.558 -22.671 1.00 0.00 O ATOM 0 H GLU A 34 10.682 6.603 -24.525 1.00 0.00 H new ATOM 0 HA GLU A 34 9.888 4.462 -22.681 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.899 3.128 -24.359 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.166 4.300 -24.661 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.165 3.515 -21.843 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.256 2.096 -22.867 1.00 0.00 H new ATOM 206 N ILE A 35 11.042 5.807 -21.004 1.00 0.00 N ATOM 207 CA ILE A 35 11.722 6.553 -19.959 1.00 0.00 C ATOM 208 C ILE A 35 11.751 5.717 -18.678 1.00 0.00 C ATOM 209 O ILE A 35 11.133 4.655 -18.611 1.00 0.00 O ATOM 210 CB ILE A 35 11.082 7.931 -19.780 1.00 0.00 C ATOM 211 CG1 ILE A 35 12.001 8.865 -18.990 1.00 0.00 C ATOM 212 CG2 ILE A 35 9.697 7.813 -19.140 1.00 0.00 C ATOM 213 CD1 ILE A 35 11.930 10.293 -19.532 1.00 0.00 C ATOM 0 H ILE A 35 10.196 5.324 -20.702 1.00 0.00 H new ATOM 0 HA ILE A 35 12.758 6.743 -20.240 1.00 0.00 H new ATOM 0 HB ILE A 35 10.945 8.374 -20.766 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.716 8.857 -17.938 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.027 8.502 -19.045 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.264 8.807 -19.024 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.052 7.208 -19.777 1.00 0.00 H new ATOM 0 HG23 ILE A 35 9.787 7.340 -18.162 1.00 0.00 H new ATOM 0 HD11 ILE A 35 12.593 10.936 -18.952 1.00 0.00 H new ATOM 0 HD12 ILE A 35 12.239 10.301 -20.577 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.907 10.662 -19.453 1.00 0.00 H new ATOM 225 N PHE A 36 12.474 6.228 -17.692 1.00 0.00 N ATOM 226 CA PHE A 36 12.591 5.541 -16.417 1.00 0.00 C ATOM 227 C PHE A 36 12.669 6.541 -15.261 1.00 0.00 C ATOM 228 O PHE A 36 13.484 7.462 -15.286 1.00 0.00 O ATOM 229 CB PHE A 36 13.888 4.731 -16.462 1.00 0.00 C ATOM 230 CG PHE A 36 14.930 5.278 -17.440 1.00 0.00 C ATOM 231 CD1 PHE A 36 15.817 6.224 -17.030 1.00 0.00 C ATOM 232 CD2 PHE A 36 14.968 4.819 -18.720 1.00 0.00 C ATOM 233 CE1 PHE A 36 16.784 6.731 -17.938 1.00 0.00 C ATOM 234 CE2 PHE A 36 15.935 5.326 -19.627 1.00 0.00 C ATOM 235 CZ PHE A 36 16.822 6.272 -19.217 1.00 0.00 C ATOM 0 H PHE A 36 12.984 7.109 -17.750 1.00 0.00 H new ATOM 0 HA PHE A 36 11.720 4.906 -16.256 1.00 0.00 H new ATOM 0 HB2 PHE A 36 14.322 4.704 -15.463 1.00 0.00 H new ATOM 0 HB3 PHE A 36 13.653 3.702 -16.736 1.00 0.00 H new ATOM 0 HD1 PHE A 36 15.786 6.589 -16.014 1.00 0.00 H new ATOM 0 HD2 PHE A 36 14.263 4.069 -19.046 1.00 0.00 H new ATOM 0 HE1 PHE A 36 17.489 7.481 -17.612 1.00 0.00 H new ATOM 0 HE2 PHE A 36 15.966 4.961 -20.643 1.00 0.00 H new ATOM 0 HZ PHE A 36 17.557 6.659 -19.908 1.00 0.00 H new ATOM 245 N PHE A 37 11.809 6.326 -14.276 1.00 0.00 N ATOM 246 CA PHE A 37 11.770 7.197 -13.113 1.00 0.00 C ATOM 247 C PHE A 37 11.439 6.405 -11.846 1.00 0.00 C ATOM 248 O PHE A 37 10.903 5.301 -11.922 1.00 0.00 O ATOM 249 CB PHE A 37 10.664 8.225 -13.361 1.00 0.00 C ATOM 250 CG PHE A 37 11.135 9.479 -14.101 1.00 0.00 C ATOM 251 CD1 PHE A 37 11.719 10.495 -13.412 1.00 0.00 C ATOM 252 CD2 PHE A 37 10.970 9.577 -15.447 1.00 0.00 C ATOM 253 CE1 PHE A 37 12.156 11.659 -14.098 1.00 0.00 C ATOM 254 CE2 PHE A 37 11.407 10.741 -16.133 1.00 0.00 C ATOM 255 CZ PHE A 37 11.991 11.757 -15.444 1.00 0.00 C ATOM 0 H PHE A 37 11.134 5.562 -14.259 1.00 0.00 H new ATOM 0 HA PHE A 37 12.741 7.671 -12.970 1.00 0.00 H new ATOM 0 HB2 PHE A 37 9.867 7.754 -13.936 1.00 0.00 H new ATOM 0 HB3 PHE A 37 10.235 8.520 -12.403 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.851 10.417 -12.343 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.507 8.770 -15.994 1.00 0.00 H new ATOM 0 HE1 PHE A 37 12.619 12.466 -13.551 1.00 0.00 H new ATOM 0 HE2 PHE A 37 11.275 10.819 -17.202 1.00 0.00 H new ATOM 0 HZ PHE A 37 12.324 12.642 -15.966 1.00 0.00 H new ATOM 265 N LYS A 38 11.773 7.001 -10.711 1.00 0.00 N ATOM 266 CA LYS A 38 11.518 6.365 -9.429 1.00 0.00 C ATOM 267 C LYS A 38 10.198 6.888 -8.860 1.00 0.00 C ATOM 268 O LYS A 38 9.860 8.057 -9.038 1.00 0.00 O ATOM 269 CB LYS A 38 12.711 6.555 -8.490 1.00 0.00 C ATOM 270 CG LYS A 38 14.013 6.113 -9.161 1.00 0.00 C ATOM 271 CD LYS A 38 14.776 7.314 -9.722 1.00 0.00 C ATOM 272 CE LYS A 38 15.733 6.885 -10.836 1.00 0.00 C ATOM 273 NZ LYS A 38 17.115 6.773 -10.318 1.00 0.00 N ATOM 0 H LYS A 38 12.218 7.917 -10.652 1.00 0.00 H new ATOM 0 HA LYS A 38 11.408 5.288 -9.553 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.785 7.603 -8.198 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.555 5.980 -7.577 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.637 5.586 -8.440 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.792 5.411 -9.965 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.070 8.050 -10.108 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.337 7.799 -8.923 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.414 5.928 -11.249 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.701 7.609 -11.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.751 6.481 -11.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.422 7.694 -9.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.144 6.065 -9.557 1.00 0.00 H new ATOM 286 N ILE A 39 9.486 5.995 -8.186 1.00 0.00 N ATOM 287 CA ILE A 39 8.211 6.352 -7.589 1.00 0.00 C ATOM 288 C ILE A 39 8.059 5.627 -6.250 1.00 0.00 C ATOM 289 O ILE A 39 8.830 4.720 -5.940 1.00 0.00 O ATOM 290 CB ILE A 39 7.067 6.081 -8.568 1.00 0.00 C ATOM 291 CG1 ILE A 39 7.267 6.854 -9.873 1.00 0.00 C ATOM 292 CG2 ILE A 39 5.711 6.382 -7.926 1.00 0.00 C ATOM 293 CD1 ILE A 39 8.240 6.123 -10.800 1.00 0.00 C ATOM 0 H ILE A 39 9.769 5.026 -8.041 1.00 0.00 H new ATOM 0 HA ILE A 39 8.174 7.421 -7.379 1.00 0.00 H new ATOM 0 HB ILE A 39 7.076 5.020 -8.817 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.308 6.982 -10.375 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.648 7.852 -9.654 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.916 6.181 -8.644 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.576 5.750 -7.048 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.674 7.430 -7.628 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.364 6.694 -11.720 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.205 6.018 -10.305 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.845 5.135 -11.036 1.00 0.00 H new ATOM 305 N LYS A 40 7.059 6.053 -5.493 1.00 0.00 N ATOM 306 CA LYS A 40 6.796 5.456 -4.195 1.00 0.00 C ATOM 307 C LYS A 40 5.579 4.535 -4.299 1.00 0.00 C ATOM 308 O LYS A 40 4.581 4.737 -3.609 1.00 0.00 O ATOM 309 CB LYS A 40 6.655 6.541 -3.125 1.00 0.00 C ATOM 310 CG LYS A 40 8.021 6.923 -2.549 1.00 0.00 C ATOM 311 CD LYS A 40 8.882 7.624 -3.602 1.00 0.00 C ATOM 312 CE LYS A 40 9.426 8.952 -3.070 1.00 0.00 C ATOM 313 NZ LYS A 40 9.634 9.909 -4.179 1.00 0.00 N ATOM 0 H LYS A 40 6.421 6.805 -5.754 1.00 0.00 H new ATOM 0 HA LYS A 40 7.638 4.839 -3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.178 7.422 -3.555 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.005 6.186 -2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.887 7.578 -1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.532 6.029 -2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.710 6.977 -3.889 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.291 7.803 -4.500 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.729 9.373 -2.345 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.367 8.783 -2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.003 10.804 -3.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.316 9.512 -4.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.729 10.084 -4.661 1.00 0.00 H new ATOM 326 N LYS A 41 5.702 3.541 -5.167 1.00 0.00 N ATOM 327 CA LYS A 41 4.624 2.588 -5.371 1.00 0.00 C ATOM 328 C LYS A 41 5.042 1.573 -6.437 1.00 0.00 C ATOM 329 O LYS A 41 5.721 1.923 -7.401 1.00 0.00 O ATOM 330 CB LYS A 41 3.318 3.316 -5.694 1.00 0.00 C ATOM 331 CG LYS A 41 2.248 3.015 -4.643 1.00 0.00 C ATOM 332 CD LYS A 41 1.026 3.916 -4.830 1.00 0.00 C ATOM 333 CE LYS A 41 1.236 5.272 -4.152 1.00 0.00 C ATOM 334 NZ LYS A 41 0.644 5.270 -2.796 1.00 0.00 N ATOM 0 H LYS A 41 6.532 3.375 -5.737 1.00 0.00 H new ATOM 0 HA LYS A 41 4.432 2.029 -4.455 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.498 4.390 -5.738 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.962 3.012 -6.678 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.948 1.970 -4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.662 3.161 -3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.837 4.062 -5.893 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.144 3.430 -4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.302 5.493 -4.090 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.782 6.060 -4.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.795 6.197 -2.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.376 5.080 -2.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.096 4.531 -2.221 1.00 0.00 H new ATOM 347 N THR A 42 4.620 0.335 -6.227 1.00 0.00 N ATOM 348 CA THR A 42 4.941 -0.734 -7.158 1.00 0.00 C ATOM 349 C THR A 42 3.856 -0.853 -8.229 1.00 0.00 C ATOM 350 O THR A 42 4.159 -1.022 -9.409 1.00 0.00 O ATOM 351 CB THR A 42 5.143 -2.018 -6.352 1.00 0.00 C ATOM 352 OG1 THR A 42 4.837 -3.059 -7.275 1.00 0.00 O ATOM 353 CG2 THR A 42 4.100 -2.184 -5.244 1.00 0.00 C ATOM 0 H THR A 42 4.058 0.048 -5.425 1.00 0.00 H new ATOM 0 HA THR A 42 5.864 -0.524 -7.698 1.00 0.00 H new ATOM 0 HB THR A 42 6.141 -2.018 -5.914 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.558 -3.723 -7.271 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.289 -3.111 -4.703 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.164 -1.342 -4.555 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.104 -2.218 -5.684 1.00 0.00 H new ATOM 361 N THR A 43 2.613 -0.759 -7.780 1.00 0.00 N ATOM 362 CA THR A 43 1.481 -0.854 -8.685 1.00 0.00 C ATOM 363 C THR A 43 1.835 -0.254 -10.047 1.00 0.00 C ATOM 364 O THR A 43 1.706 0.952 -10.251 1.00 0.00 O ATOM 365 CB THR A 43 0.282 -0.177 -8.017 1.00 0.00 C ATOM 366 OG1 THR A 43 -0.531 0.246 -9.107 1.00 0.00 O ATOM 367 CG2 THR A 43 0.665 1.125 -7.310 1.00 0.00 C ATOM 0 H THR A 43 2.365 -0.618 -6.801 1.00 0.00 H new ATOM 0 HA THR A 43 1.218 -1.894 -8.881 1.00 0.00 H new ATOM 0 HB THR A 43 -0.168 -0.862 -7.298 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.002 0.797 -9.718 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.221 1.565 -6.853 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.406 0.916 -6.538 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.084 1.823 -8.035 1.00 0.00 H new ATOM 375 N PRO A 44 2.287 -1.147 -10.968 1.00 0.00 N ATOM 376 CA PRO A 44 2.661 -0.718 -12.305 1.00 0.00 C ATOM 377 C PRO A 44 1.422 -0.419 -13.152 1.00 0.00 C ATOM 378 O PRO A 44 1.444 0.475 -13.996 1.00 0.00 O ATOM 379 CB PRO A 44 3.501 -1.856 -12.863 1.00 0.00 C ATOM 380 CG PRO A 44 3.181 -3.069 -12.005 1.00 0.00 C ATOM 381 CD PRO A 44 2.453 -2.583 -10.762 1.00 0.00 C ATOM 0 HA PRO A 44 3.226 0.214 -12.305 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.260 -2.043 -13.909 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.563 -1.616 -12.819 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.562 -3.775 -12.558 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.096 -3.594 -11.731 1.00 0.00 H new ATOM 0 HD2 PRO A 44 1.490 -3.081 -10.647 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.028 -2.790 -9.860 1.00 0.00 H new ATOM 389 N LEU A 45 0.371 -1.185 -12.897 1.00 0.00 N ATOM 390 CA LEU A 45 -0.874 -1.013 -13.625 1.00 0.00 C ATOM 391 C LEU A 45 -1.354 0.432 -13.472 1.00 0.00 C ATOM 392 O LEU A 45 -1.625 1.107 -14.464 1.00 0.00 O ATOM 393 CB LEU A 45 -1.903 -2.053 -13.178 1.00 0.00 C ATOM 394 CG LEU A 45 -2.427 -1.908 -11.748 1.00 0.00 C ATOM 395 CD1 LEU A 45 -3.653 -2.794 -11.520 1.00 0.00 C ATOM 396 CD2 LEU A 45 -1.321 -2.188 -10.728 1.00 0.00 C ATOM 0 H LEU A 45 0.357 -1.926 -12.196 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.720 -1.187 -14.690 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.752 -2.012 -13.861 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.458 -3.043 -13.282 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.745 -0.875 -11.604 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.005 -2.672 -10.496 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.444 -2.506 -12.212 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.385 -3.837 -11.689 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.720 -2.078 -9.720 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.950 -3.204 -10.863 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.504 -1.481 -10.874 1.00 0.00 H new ATOM 408 N ARG A 46 -1.445 0.862 -12.223 1.00 0.00 N ATOM 409 CA ARG A 46 -1.887 2.215 -11.928 1.00 0.00 C ATOM 410 C ARG A 46 -0.753 3.210 -12.175 1.00 0.00 C ATOM 411 O ARG A 46 -0.993 4.334 -12.614 1.00 0.00 O ATOM 412 CB ARG A 46 -2.356 2.337 -10.476 1.00 0.00 C ATOM 413 CG ARG A 46 -3.658 1.565 -10.254 1.00 0.00 C ATOM 414 CD ARG A 46 -3.773 1.088 -8.805 1.00 0.00 C ATOM 415 NE ARG A 46 -4.886 1.790 -8.127 1.00 0.00 N ATOM 416 CZ ARG A 46 -4.768 2.994 -7.528 1.00 0.00 C ATOM 417 NH1 ARG A 46 -3.583 3.641 -7.517 1.00 0.00 N ATOM 418 NH2 ARG A 46 -5.829 3.529 -6.953 1.00 0.00 N ATOM 0 H ARG A 46 -1.220 0.298 -11.403 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.724 2.442 -12.589 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.584 1.955 -9.807 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.504 3.387 -10.225 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.508 2.201 -10.500 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.696 0.708 -10.927 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.943 0.012 -8.780 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.838 1.276 -8.277 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.799 1.336 -8.111 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.768 3.220 -7.964 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.503 4.550 -7.062 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.720 3.033 -6.966 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.757 4.438 -6.496 1.00 0.00 H new ATOM 431 N ARG A 47 0.460 2.762 -11.883 1.00 0.00 N ATOM 432 CA ARG A 47 1.632 3.600 -12.069 1.00 0.00 C ATOM 433 C ARG A 47 1.769 4.003 -13.538 1.00 0.00 C ATOM 434 O ARG A 47 1.455 5.134 -13.907 1.00 0.00 O ATOM 435 CB ARG A 47 2.904 2.873 -11.625 1.00 0.00 C ATOM 436 CG ARG A 47 3.155 3.072 -10.129 1.00 0.00 C ATOM 437 CD ARG A 47 3.988 4.331 -9.876 1.00 0.00 C ATOM 438 NE ARG A 47 3.276 5.521 -10.393 1.00 0.00 N ATOM 439 CZ ARG A 47 2.259 6.133 -9.749 1.00 0.00 C ATOM 440 NH1 ARG A 47 1.826 5.672 -8.557 1.00 0.00 N ATOM 441 NH2 ARG A 47 1.695 7.190 -10.303 1.00 0.00 N ATOM 0 H ARG A 47 0.656 1.830 -11.519 1.00 0.00 H new ATOM 0 HA ARG A 47 1.503 4.492 -11.455 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.814 1.809 -11.844 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.757 3.245 -12.193 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.203 3.150 -9.604 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.672 2.202 -9.724 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.176 4.445 -8.808 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.959 4.238 -10.362 1.00 0.00 H new ATOM 0 HE ARG A 47 3.572 5.903 -11.292 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.268 4.855 -8.135 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.057 6.141 -8.078 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.028 7.533 -11.204 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.926 7.664 -9.830 1.00 0.00 H new ATOM 454 N LEU A 48 2.239 3.056 -14.337 1.00 0.00 N ATOM 455 CA LEU A 48 2.422 3.299 -15.758 1.00 0.00 C ATOM 456 C LEU A 48 1.211 4.061 -16.301 1.00 0.00 C ATOM 457 O LEU A 48 1.353 4.925 -17.165 1.00 0.00 O ATOM 458 CB LEU A 48 2.702 1.987 -16.494 1.00 0.00 C ATOM 459 CG LEU A 48 3.808 2.034 -17.551 1.00 0.00 C ATOM 460 CD1 LEU A 48 4.939 1.064 -17.204 1.00 0.00 C ATOM 461 CD2 LEU A 48 3.241 1.777 -18.948 1.00 0.00 C ATOM 0 H LEU A 48 2.498 2.119 -14.027 1.00 0.00 H new ATOM 0 HA LEU A 48 3.297 3.927 -15.927 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.964 1.228 -15.756 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.780 1.659 -16.975 1.00 0.00 H new ATOM 0 HG LEU A 48 4.234 3.037 -17.556 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.712 1.117 -17.971 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.367 1.334 -16.239 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.545 0.049 -17.155 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.047 1.816 -19.681 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.773 0.793 -18.975 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.498 2.539 -19.185 1.00 0.00 H new ATOM 473 N MET A 49 0.047 3.714 -15.771 1.00 0.00 N ATOM 474 CA MET A 49 -1.187 4.355 -16.192 1.00 0.00 C ATOM 475 C MET A 49 -0.987 5.860 -16.379 1.00 0.00 C ATOM 476 O MET A 49 -1.474 6.439 -17.349 1.00 0.00 O ATOM 477 CB MET A 49 -2.273 4.110 -15.142 1.00 0.00 C ATOM 478 CG MET A 49 -3.642 3.931 -15.801 1.00 0.00 C ATOM 479 SD MET A 49 -4.440 5.516 -15.992 1.00 0.00 S ATOM 480 CE MET A 49 -4.776 5.902 -14.281 1.00 0.00 C ATOM 0 H MET A 49 -0.067 2.997 -15.054 1.00 0.00 H new ATOM 0 HA MET A 49 -1.490 3.927 -17.148 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.027 3.222 -14.559 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.307 4.948 -14.446 1.00 0.00 H new ATOM 0 HG2 MET A 49 -3.527 3.453 -16.774 1.00 0.00 H new ATOM 0 HG3 MET A 49 -4.264 3.273 -15.194 1.00 0.00 H new ATOM 0 HE1 MET A 49 -5.654 6.544 -14.219 1.00 0.00 H new ATOM 0 HE2 MET A 49 -4.961 4.980 -13.730 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.918 6.417 -13.849 1.00 0.00 H new ATOM 490 N GLU A 50 -0.270 6.451 -15.435 1.00 0.00 N ATOM 491 CA GLU A 50 0.000 7.878 -15.483 1.00 0.00 C ATOM 492 C GLU A 50 1.413 8.133 -16.012 1.00 0.00 C ATOM 493 O GLU A 50 1.631 9.064 -16.785 1.00 0.00 O ATOM 494 CB GLU A 50 -0.195 8.520 -14.108 1.00 0.00 C ATOM 495 CG GLU A 50 -0.668 9.969 -14.241 1.00 0.00 C ATOM 496 CD GLU A 50 -0.388 10.757 -12.960 1.00 0.00 C ATOM 497 OE1 GLU A 50 -1.212 10.747 -12.034 1.00 0.00 O ATOM 498 OE2 GLU A 50 0.733 11.396 -12.947 1.00 0.00 O ATOM 0 H GLU A 50 0.132 5.968 -14.632 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.712 8.340 -16.167 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.924 7.947 -13.535 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.742 8.489 -13.552 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.163 10.444 -15.082 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.736 9.988 -14.458 1.00 0.00 H new ATOM 506 N ALA A 51 2.335 7.289 -15.574 1.00 0.00 N ATOM 507 CA ALA A 51 3.721 7.411 -15.994 1.00 0.00 C ATOM 508 C ALA A 51 3.789 7.403 -17.522 1.00 0.00 C ATOM 509 O ALA A 51 4.137 8.411 -18.136 1.00 0.00 O ATOM 510 CB ALA A 51 4.546 6.284 -15.368 1.00 0.00 C ATOM 0 H ALA A 51 2.150 6.518 -14.933 1.00 0.00 H new ATOM 0 HA ALA A 51 4.144 8.355 -15.650 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.585 6.376 -15.683 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.489 6.352 -14.282 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.152 5.321 -15.693 1.00 0.00 H new ATOM 516 N PHE A 52 3.452 6.256 -18.092 1.00 0.00 N ATOM 517 CA PHE A 52 3.471 6.104 -19.537 1.00 0.00 C ATOM 518 C PHE A 52 2.588 7.157 -20.210 1.00 0.00 C ATOM 519 O PHE A 52 2.772 7.466 -21.386 1.00 0.00 O ATOM 520 CB PHE A 52 2.913 4.713 -19.848 1.00 0.00 C ATOM 521 CG PHE A 52 2.081 4.649 -21.130 1.00 0.00 C ATOM 522 CD1 PHE A 52 2.614 5.072 -22.308 1.00 0.00 C ATOM 523 CD2 PHE A 52 0.809 4.169 -21.092 1.00 0.00 C ATOM 524 CE1 PHE A 52 1.842 5.012 -23.498 1.00 0.00 C ATOM 525 CE2 PHE A 52 0.037 4.109 -22.282 1.00 0.00 C ATOM 526 CZ PHE A 52 0.570 4.532 -23.460 1.00 0.00 C ATOM 0 H PHE A 52 3.164 5.423 -17.579 1.00 0.00 H new ATOM 0 HA PHE A 52 4.487 6.227 -19.911 1.00 0.00 H new ATOM 0 HB2 PHE A 52 3.742 4.010 -19.930 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.297 4.384 -19.011 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.624 5.453 -22.338 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.386 3.833 -20.157 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.265 5.348 -24.433 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.973 3.728 -22.252 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.017 4.487 -24.365 1.00 0.00 H new ATOM 536 N ALA A 53 1.648 7.678 -19.435 1.00 0.00 N ATOM 537 CA ALA A 53 0.736 8.689 -19.942 1.00 0.00 C ATOM 538 C ALA A 53 1.326 10.077 -19.683 1.00 0.00 C ATOM 539 O ALA A 53 0.769 11.083 -20.119 1.00 0.00 O ATOM 540 CB ALA A 53 -0.638 8.509 -19.294 1.00 0.00 C ATOM 0 H ALA A 53 1.498 7.419 -18.460 1.00 0.00 H new ATOM 0 HA ALA A 53 0.604 8.582 -21.019 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.322 9.268 -19.675 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.026 7.519 -19.532 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.547 8.612 -18.213 1.00 0.00 H new ATOM 546 N LYS A 54 2.445 10.087 -18.973 1.00 0.00 N ATOM 547 CA LYS A 54 3.116 11.334 -18.651 1.00 0.00 C ATOM 548 C LYS A 54 4.227 11.590 -19.671 1.00 0.00 C ATOM 549 O LYS A 54 4.615 12.735 -19.898 1.00 0.00 O ATOM 550 CB LYS A 54 3.604 11.321 -17.201 1.00 0.00 C ATOM 551 CG LYS A 54 4.373 12.602 -16.869 1.00 0.00 C ATOM 552 CD LYS A 54 5.842 12.298 -16.571 1.00 0.00 C ATOM 553 CE LYS A 54 6.504 13.463 -15.832 1.00 0.00 C ATOM 554 NZ LYS A 54 7.899 13.123 -15.472 1.00 0.00 N ATOM 0 H LYS A 54 2.904 9.251 -18.612 1.00 0.00 H new ATOM 0 HA LYS A 54 2.420 12.170 -18.722 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.753 11.219 -16.528 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.245 10.455 -17.037 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.304 13.298 -17.705 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.917 13.091 -16.008 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.915 11.392 -15.969 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.373 12.105 -17.503 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.491 14.354 -16.460 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.937 13.699 -14.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.333 13.924 -14.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.904 12.286 -14.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.441 12.920 -16.336 1.00 0.00 H new ATOM 567 N ARG A 55 4.707 10.504 -20.260 1.00 0.00 N ATOM 568 CA ARG A 55 5.766 10.596 -21.251 1.00 0.00 C ATOM 569 C ARG A 55 5.184 10.480 -22.661 1.00 0.00 C ATOM 570 O ARG A 55 5.428 11.336 -23.510 1.00 0.00 O ATOM 571 CB ARG A 55 6.810 9.497 -21.045 1.00 0.00 C ATOM 572 CG ARG A 55 8.221 10.023 -21.318 1.00 0.00 C ATOM 573 CD ARG A 55 8.572 9.905 -22.803 1.00 0.00 C ATOM 574 NE ARG A 55 9.085 11.199 -23.306 1.00 0.00 N ATOM 575 CZ ARG A 55 9.438 11.425 -24.589 1.00 0.00 C ATOM 576 NH1 ARG A 55 9.337 10.444 -25.511 1.00 0.00 N ATOM 577 NH2 ARG A 55 9.884 12.620 -24.929 1.00 0.00 N ATOM 0 H ARG A 55 4.382 9.556 -20.070 1.00 0.00 H new ATOM 0 HA ARG A 55 6.249 11.566 -21.132 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.750 9.120 -20.024 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.596 8.658 -21.708 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.291 11.065 -21.006 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.943 9.463 -20.724 1.00 0.00 H new ATOM 0 HD2 ARG A 55 9.321 9.127 -22.947 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.690 9.608 -23.371 1.00 0.00 H new ATOM 0 HE ARG A 55 9.178 11.968 -22.642 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.992 9.523 -25.240 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.606 10.624 -26.478 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.958 13.356 -24.226 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.155 12.808 -25.894 1.00 0.00 H new ATOM 590 N GLN A 56 4.425 9.413 -22.868 1.00 0.00 N ATOM 591 CA GLN A 56 3.807 9.174 -24.160 1.00 0.00 C ATOM 592 C GLN A 56 2.412 9.801 -24.206 1.00 0.00 C ATOM 593 O GLN A 56 2.013 10.363 -25.225 1.00 0.00 O ATOM 594 CB GLN A 56 3.745 7.677 -24.470 1.00 0.00 C ATOM 595 CG GLN A 56 3.636 7.432 -25.976 1.00 0.00 C ATOM 596 CD GLN A 56 2.443 8.185 -26.569 1.00 0.00 C ATOM 597 OE1 GLN A 56 2.563 8.940 -27.520 1.00 0.00 O ATOM 598 NE2 GLN A 56 1.289 7.938 -25.956 1.00 0.00 N ATOM 0 H GLN A 56 4.225 8.705 -22.162 1.00 0.00 H new ATOM 0 HA GLN A 56 4.422 9.646 -24.927 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.637 7.185 -24.082 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.889 7.232 -23.963 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.554 7.753 -26.468 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.528 6.364 -26.168 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.259 7.295 -25.165 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.434 8.392 -26.277 1.00 0.00 H new ATOM 607 N GLY A 57 1.709 9.684 -23.089 1.00 0.00 N ATOM 608 CA GLY A 57 0.367 10.233 -22.989 1.00 0.00 C ATOM 609 C GLY A 57 0.330 11.684 -23.473 1.00 0.00 C ATOM 610 O GLY A 57 -0.728 12.194 -23.835 1.00 0.00 O ATOM 0 H GLY A 57 2.043 9.217 -22.246 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.321 9.631 -23.582 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.026 10.182 -21.955 1.00 0.00 H new ATOM 614 N LYS A 58 1.499 12.307 -23.463 1.00 0.00 N ATOM 615 CA LYS A 58 1.614 13.689 -23.896 1.00 0.00 C ATOM 616 C LYS A 58 0.984 13.838 -25.282 1.00 0.00 C ATOM 617 O LYS A 58 0.276 14.809 -25.545 1.00 0.00 O ATOM 618 CB LYS A 58 3.071 14.152 -23.830 1.00 0.00 C ATOM 619 CG LYS A 58 3.175 15.666 -24.021 1.00 0.00 C ATOM 620 CD LYS A 58 2.483 16.412 -22.878 1.00 0.00 C ATOM 621 CE LYS A 58 1.205 17.098 -23.365 1.00 0.00 C ATOM 622 NZ LYS A 58 1.105 18.465 -22.806 1.00 0.00 N ATOM 0 H LYS A 58 2.375 11.880 -23.162 1.00 0.00 H new ATOM 0 HA LYS A 58 1.064 14.346 -23.222 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.502 13.873 -22.868 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.653 13.644 -24.599 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.224 15.959 -24.069 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.722 15.948 -24.971 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.242 15.714 -22.076 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.162 17.155 -22.460 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.202 17.143 -24.454 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.335 16.513 -23.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.232 18.916 -23.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.086 18.415 -21.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.926 19.026 -23.111 1.00 0.00 H new ATOM 635 N GLU A 59 1.265 12.862 -26.133 1.00 0.00 N ATOM 636 CA GLU A 59 0.735 12.873 -27.486 1.00 0.00 C ATOM 637 C GLU A 59 -0.668 12.263 -27.511 1.00 0.00 C ATOM 638 O GLU A 59 -1.406 12.434 -28.480 1.00 0.00 O ATOM 639 CB GLU A 59 1.670 12.137 -28.447 1.00 0.00 C ATOM 640 CG GLU A 59 1.940 12.975 -29.699 1.00 0.00 C ATOM 641 CD GLU A 59 2.864 12.233 -30.667 1.00 0.00 C ATOM 642 OE1 GLU A 59 2.926 10.995 -30.638 1.00 0.00 O ATOM 643 OE2 GLU A 59 3.531 12.989 -31.471 1.00 0.00 O ATOM 0 H GLU A 59 1.853 12.058 -25.912 1.00 0.00 H new ATOM 0 HA GLU A 59 0.666 13.908 -27.820 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.611 11.914 -27.945 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.227 11.183 -28.732 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.998 13.207 -30.196 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.393 13.925 -29.415 1.00 0.00 H new ATOM 651 N MET A 60 -0.994 11.563 -26.434 1.00 0.00 N ATOM 652 CA MET A 60 -2.295 10.927 -26.320 1.00 0.00 C ATOM 653 C MET A 60 -2.665 10.199 -27.614 1.00 0.00 C ATOM 654 O MET A 60 -3.843 10.054 -27.934 1.00 0.00 O ATOM 655 CB MET A 60 -3.356 11.985 -26.008 1.00 0.00 C ATOM 656 CG MET A 60 -3.875 11.835 -24.577 1.00 0.00 C ATOM 657 SD MET A 60 -4.786 13.295 -24.102 1.00 0.00 S ATOM 658 CE MET A 60 -3.433 14.390 -23.708 1.00 0.00 C ATOM 0 H MET A 60 -0.379 11.423 -25.632 1.00 0.00 H new ATOM 0 HA MET A 60 -2.251 10.195 -25.513 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.933 12.980 -26.143 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.184 11.893 -26.711 1.00 0.00 H new ATOM 0 HG2 MET A 60 -4.516 10.957 -24.504 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.041 11.678 -23.893 1.00 0.00 H new ATOM 0 HE1 MET A 60 -3.806 15.236 -23.131 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.688 13.852 -23.122 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.978 14.752 -24.630 1.00 0.00 H new ATOM 668 N ASP A 61 -1.635 9.761 -28.323 1.00 0.00 N ATOM 669 CA ASP A 61 -1.837 9.051 -29.576 1.00 0.00 C ATOM 670 C ASP A 61 -1.681 7.548 -29.336 1.00 0.00 C ATOM 671 O ASP A 61 -1.997 6.741 -30.209 1.00 0.00 O ATOM 672 CB ASP A 61 -0.801 9.473 -30.620 1.00 0.00 C ATOM 673 CG ASP A 61 -1.131 10.764 -31.372 1.00 0.00 C ATOM 674 OD1 ASP A 61 -2.136 10.844 -32.095 1.00 0.00 O ATOM 675 OD2 ASP A 61 -0.294 11.729 -31.191 1.00 0.00 O ATOM 0 H ASP A 61 -0.659 9.884 -28.054 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.836 9.289 -29.942 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.163 9.594 -30.125 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.688 8.667 -31.345 1.00 0.00 H new ATOM 681 N SER A 62 -1.195 7.218 -28.149 1.00 0.00 N ATOM 682 CA SER A 62 -0.994 5.826 -27.783 1.00 0.00 C ATOM 683 C SER A 62 -1.785 5.498 -26.516 1.00 0.00 C ATOM 684 O SER A 62 -1.627 6.162 -25.492 1.00 0.00 O ATOM 685 CB SER A 62 0.490 5.519 -27.577 1.00 0.00 C ATOM 686 OG SER A 62 0.839 5.475 -26.196 1.00 0.00 O ATOM 0 H SER A 62 -0.934 7.891 -27.428 1.00 0.00 H new ATOM 0 HA SER A 62 -1.356 5.202 -28.601 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.731 4.563 -28.042 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.090 6.278 -28.079 1.00 0.00 H new ATOM 0 HG SER A 62 1.155 4.576 -25.967 1.00 0.00 H new ATOM 692 N LEU A 63 -2.619 4.474 -26.625 1.00 0.00 N ATOM 693 CA LEU A 63 -3.435 4.051 -25.500 1.00 0.00 C ATOM 694 C LEU A 63 -3.480 2.522 -25.455 1.00 0.00 C ATOM 695 O LEU A 63 -4.494 1.937 -25.078 1.00 0.00 O ATOM 696 CB LEU A 63 -4.817 4.704 -25.564 1.00 0.00 C ATOM 697 CG LEU A 63 -5.123 5.504 -26.832 1.00 0.00 C ATOM 698 CD1 LEU A 63 -6.631 5.592 -27.074 1.00 0.00 C ATOM 699 CD2 LEU A 63 -4.469 6.886 -26.780 1.00 0.00 C ATOM 0 H LEU A 63 -2.747 3.925 -27.475 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.993 4.386 -24.562 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.571 3.924 -25.460 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.924 5.367 -24.705 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.691 4.976 -27.682 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.821 6.166 -27.981 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.041 4.588 -27.187 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.107 6.085 -26.227 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.702 7.434 -27.693 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.850 7.436 -25.920 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.388 6.774 -26.690 1.00 0.00 H new ATOM 711 N ARG A 64 -2.367 1.918 -25.845 1.00 0.00 N ATOM 712 CA ARG A 64 -2.266 0.468 -25.853 1.00 0.00 C ATOM 713 C ARG A 64 -1.350 -0.007 -24.723 1.00 0.00 C ATOM 714 O ARG A 64 -0.127 0.053 -24.844 1.00 0.00 O ATOM 715 CB ARG A 64 -1.719 -0.038 -27.190 1.00 0.00 C ATOM 716 CG ARG A 64 -2.274 -1.425 -27.519 1.00 0.00 C ATOM 717 CD ARG A 64 -1.927 -1.828 -28.954 1.00 0.00 C ATOM 718 NE ARG A 64 -2.813 -2.927 -29.399 1.00 0.00 N ATOM 719 CZ ARG A 64 -2.536 -3.750 -30.433 1.00 0.00 C ATOM 720 NH1 ARG A 64 -1.394 -3.607 -31.137 1.00 0.00 N ATOM 721 NH2 ARG A 64 -3.400 -4.699 -30.744 1.00 0.00 N ATOM 0 H ARG A 64 -1.528 2.406 -26.158 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.268 0.065 -25.707 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.983 0.661 -27.983 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.630 -0.078 -27.150 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.867 -2.158 -26.823 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -3.356 -1.428 -27.388 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.036 -0.970 -29.618 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.885 -2.144 -29.010 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.687 -3.072 -28.893 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.731 -2.872 -30.890 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.194 -4.234 -31.916 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.261 -4.801 -30.206 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.207 -5.330 -31.522 1.00 0.00 H new ATOM 734 N PHE A 65 -1.977 -0.468 -23.651 1.00 0.00 N ATOM 735 CA PHE A 65 -1.234 -0.953 -22.501 1.00 0.00 C ATOM 736 C PHE A 65 -1.066 -2.473 -22.557 1.00 0.00 C ATOM 737 O PHE A 65 -2.050 -3.211 -22.538 1.00 0.00 O ATOM 738 CB PHE A 65 -2.046 -0.588 -21.257 1.00 0.00 C ATOM 739 CG PHE A 65 -3.265 -1.483 -21.024 1.00 0.00 C ATOM 740 CD1 PHE A 65 -3.140 -2.627 -20.299 1.00 0.00 C ATOM 741 CD2 PHE A 65 -4.473 -1.135 -21.543 1.00 0.00 C ATOM 742 CE1 PHE A 65 -4.271 -3.457 -20.083 1.00 0.00 C ATOM 743 CE2 PHE A 65 -5.604 -1.966 -21.328 1.00 0.00 C ATOM 744 CZ PHE A 65 -5.479 -3.110 -20.602 1.00 0.00 C ATOM 0 H PHE A 65 -2.991 -0.516 -23.555 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.241 -0.505 -22.485 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -1.397 -0.642 -20.383 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.379 0.446 -21.344 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.180 -2.904 -19.888 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.572 -0.227 -22.119 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.172 -4.365 -19.506 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.563 -1.690 -21.741 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.339 -3.742 -20.438 1.00 0.00 H new ATOM 754 N LEU A 66 0.188 -2.896 -22.626 1.00 0.00 N ATOM 755 CA LEU A 66 0.497 -4.315 -22.685 1.00 0.00 C ATOM 756 C LEU A 66 1.935 -4.539 -22.213 1.00 0.00 C ATOM 757 O LEU A 66 2.652 -3.583 -21.922 1.00 0.00 O ATOM 758 CB LEU A 66 0.216 -4.866 -24.085 1.00 0.00 C ATOM 759 CG LEU A 66 1.323 -4.662 -25.121 1.00 0.00 C ATOM 760 CD1 LEU A 66 2.441 -5.691 -24.938 1.00 0.00 C ATOM 761 CD2 LEU A 66 0.755 -4.679 -26.541 1.00 0.00 C ATOM 0 H LEU A 66 1.002 -2.281 -22.642 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.151 -4.875 -22.011 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.018 -5.934 -24.000 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.696 -4.401 -24.460 1.00 0.00 H new ATOM 0 HG LEU A 66 1.762 -3.677 -24.962 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.215 -5.524 -25.687 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.871 -5.588 -23.942 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.034 -6.695 -25.055 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.563 -4.532 -27.258 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.274 -5.639 -26.729 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.023 -3.879 -26.650 1.00 0.00 H new ATOM 773 N TYR A 67 2.313 -5.807 -22.153 1.00 0.00 N ATOM 774 CA TYR A 67 3.652 -6.169 -21.722 1.00 0.00 C ATOM 775 C TYR A 67 4.425 -6.855 -22.850 1.00 0.00 C ATOM 776 O TYR A 67 5.607 -6.581 -23.054 1.00 0.00 O ATOM 777 CB TYR A 67 3.471 -7.159 -20.569 1.00 0.00 C ATOM 778 CG TYR A 67 4.761 -7.862 -20.144 1.00 0.00 C ATOM 779 CD1 TYR A 67 5.162 -9.017 -20.786 1.00 0.00 C ATOM 780 CD2 TYR A 67 5.525 -7.343 -19.119 1.00 0.00 C ATOM 781 CE1 TYR A 67 6.376 -9.679 -20.386 1.00 0.00 C ATOM 782 CE2 TYR A 67 6.740 -8.005 -18.719 1.00 0.00 C ATOM 783 CZ TYR A 67 7.105 -9.140 -19.372 1.00 0.00 C ATOM 784 OH TYR A 67 8.252 -9.765 -18.994 1.00 0.00 O ATOM 0 H TYR A 67 1.715 -6.597 -22.396 1.00 0.00 H new ATOM 0 HA TYR A 67 4.213 -5.282 -21.428 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.058 -6.629 -19.710 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.739 -7.912 -20.861 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.565 -9.424 -21.588 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.212 -6.440 -18.616 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.701 -10.583 -20.880 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.347 -7.609 -17.919 1.00 0.00 H new ATOM 0 HH TYR A 67 8.669 -9.268 -18.260 1.00 0.00 H new ATOM 794 N ASP A 68 3.727 -7.734 -23.554 1.00 0.00 N ATOM 795 CA ASP A 68 4.333 -8.461 -24.656 1.00 0.00 C ATOM 796 C ASP A 68 3.525 -8.211 -25.931 1.00 0.00 C ATOM 797 O ASP A 68 3.997 -7.540 -26.848 1.00 0.00 O ATOM 798 CB ASP A 68 4.337 -9.967 -24.387 1.00 0.00 C ATOM 799 CG ASP A 68 5.718 -10.575 -24.138 1.00 0.00 C ATOM 800 OD1 ASP A 68 5.965 -11.191 -23.090 1.00 0.00 O ATOM 801 OD2 ASP A 68 6.574 -10.393 -25.086 1.00 0.00 O ATOM 0 H ASP A 68 2.747 -7.959 -23.382 1.00 0.00 H new ATOM 0 HA ASP A 68 5.360 -8.112 -24.766 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.707 -10.168 -23.521 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.881 -10.474 -25.237 1.00 0.00 H new ATOM 807 N GLY A 69 2.321 -8.764 -25.949 1.00 0.00 N ATOM 808 CA GLY A 69 1.444 -8.610 -27.097 1.00 0.00 C ATOM 809 C GLY A 69 0.080 -9.251 -26.834 1.00 0.00 C ATOM 810 O GLY A 69 -0.437 -9.986 -27.674 1.00 0.00 O ATOM 0 H GLY A 69 1.932 -9.319 -25.187 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.315 -7.551 -27.321 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.902 -9.068 -27.973 1.00 0.00 H new ATOM 814 N ILE A 70 -0.465 -8.950 -25.664 1.00 0.00 N ATOM 815 CA ILE A 70 -1.759 -9.487 -25.280 1.00 0.00 C ATOM 816 C ILE A 70 -2.354 -8.625 -24.166 1.00 0.00 C ATOM 817 O ILE A 70 -3.069 -9.129 -23.301 1.00 0.00 O ATOM 818 CB ILE A 70 -1.636 -10.968 -24.914 1.00 0.00 C ATOM 819 CG1 ILE A 70 -0.200 -11.318 -24.519 1.00 0.00 C ATOM 820 CG2 ILE A 70 -2.153 -11.858 -26.046 1.00 0.00 C ATOM 821 CD1 ILE A 70 -0.174 -12.195 -23.266 1.00 0.00 C ATOM 0 H ILE A 70 -0.033 -8.341 -24.969 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.453 -9.446 -26.119 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.264 -11.158 -24.044 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.291 -11.838 -25.342 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.365 -10.403 -24.339 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.054 -12.905 -25.760 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.202 -11.632 -26.237 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.572 -11.672 -26.949 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.859 -12.429 -23.007 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.644 -11.662 -22.439 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.719 -13.120 -23.458 1.00 0.00 H new ATOM 833 N ARG A 71 -2.038 -7.340 -24.222 1.00 0.00 N ATOM 834 CA ARG A 71 -2.532 -6.402 -23.228 1.00 0.00 C ATOM 835 C ARG A 71 -2.224 -6.912 -21.819 1.00 0.00 C ATOM 836 O ARG A 71 -3.087 -6.885 -20.943 1.00 0.00 O ATOM 837 CB ARG A 71 -4.042 -6.196 -23.370 1.00 0.00 C ATOM 838 CG ARG A 71 -4.378 -5.491 -24.685 1.00 0.00 C ATOM 839 CD ARG A 71 -5.712 -5.985 -25.247 1.00 0.00 C ATOM 840 NE ARG A 71 -6.833 -5.414 -24.468 1.00 0.00 N ATOM 841 CZ ARG A 71 -8.129 -5.744 -24.652 1.00 0.00 C ATOM 842 NH1 ARG A 71 -8.479 -6.647 -25.593 1.00 0.00 N ATOM 843 NH2 ARG A 71 -9.049 -5.171 -23.898 1.00 0.00 N ATOM 0 H ARG A 71 -1.445 -6.926 -24.941 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.029 -5.449 -23.391 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.549 -7.160 -23.330 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.412 -5.606 -22.532 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.424 -4.414 -24.523 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.585 -5.670 -25.411 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.803 -5.698 -26.295 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.750 -7.074 -25.210 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.613 -4.728 -23.746 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.762 -7.085 -26.171 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.460 -6.891 -25.726 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.776 -4.490 -23.189 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.033 -5.409 -24.024 1.00 0.00 H new ATOM 856 N ILE A 72 -0.991 -7.363 -21.644 1.00 0.00 N ATOM 857 CA ILE A 72 -0.558 -7.877 -20.356 1.00 0.00 C ATOM 858 C ILE A 72 0.332 -6.838 -19.670 1.00 0.00 C ATOM 859 O ILE A 72 0.722 -5.847 -20.284 1.00 0.00 O ATOM 860 CB ILE A 72 0.109 -9.244 -20.522 1.00 0.00 C ATOM 861 CG1 ILE A 72 0.759 -9.374 -21.901 1.00 0.00 C ATOM 862 CG2 ILE A 72 -0.883 -10.376 -20.247 1.00 0.00 C ATOM 863 CD1 ILE A 72 1.706 -10.574 -21.950 1.00 0.00 C ATOM 0 H ILE A 72 -0.278 -7.383 -22.373 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.416 -8.043 -19.704 1.00 0.00 H new ATOM 0 HB ILE A 72 0.905 -9.327 -19.782 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.013 -9.485 -22.662 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.309 -8.462 -22.135 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.383 -11.336 -20.372 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.257 -10.292 -19.227 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.716 -10.307 -20.946 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.154 -10.643 -22.941 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.491 -10.449 -21.204 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.148 -11.487 -21.740 1.00 0.00 H new ATOM 875 N GLN A 73 0.626 -7.101 -18.405 1.00 0.00 N ATOM 876 CA GLN A 73 1.461 -6.201 -17.628 1.00 0.00 C ATOM 877 C GLN A 73 2.457 -6.998 -16.782 1.00 0.00 C ATOM 878 O GLN A 73 2.436 -8.228 -16.787 1.00 0.00 O ATOM 879 CB GLN A 73 0.610 -5.282 -16.751 1.00 0.00 C ATOM 880 CG GLN A 73 0.147 -4.051 -17.534 1.00 0.00 C ATOM 881 CD GLN A 73 -1.375 -3.908 -17.483 1.00 0.00 C ATOM 882 OE1 GLN A 73 -2.121 -4.834 -17.757 1.00 0.00 O ATOM 883 NE2 GLN A 73 -1.793 -2.700 -17.117 1.00 0.00 N ATOM 0 H GLN A 73 0.301 -7.925 -17.899 1.00 0.00 H new ATOM 0 HA GLN A 73 2.022 -5.572 -18.319 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.257 -5.828 -16.379 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.186 -4.968 -15.880 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.614 -3.157 -17.121 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.474 -4.131 -18.571 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.115 -1.969 -16.901 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.792 -2.504 -17.052 1.00 0.00 H new ATOM 892 N ALA A 74 3.305 -6.265 -16.076 1.00 0.00 N ATOM 893 CA ALA A 74 4.306 -6.888 -15.227 1.00 0.00 C ATOM 894 C ALA A 74 3.671 -7.258 -13.885 1.00 0.00 C ATOM 895 O ALA A 74 3.158 -8.364 -13.721 1.00 0.00 O ATOM 896 CB ALA A 74 5.499 -5.944 -15.067 1.00 0.00 C ATOM 0 H ALA A 74 3.320 -5.245 -16.074 1.00 0.00 H new ATOM 0 HA ALA A 74 4.676 -7.807 -15.681 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.250 -6.411 -14.430 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.932 -5.736 -16.045 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.166 -5.011 -14.611 1.00 0.00 H new ATOM 902 N ASP A 75 3.726 -6.312 -12.960 1.00 0.00 N ATOM 903 CA ASP A 75 3.163 -6.525 -11.637 1.00 0.00 C ATOM 904 C ASP A 75 1.806 -5.824 -11.546 1.00 0.00 C ATOM 905 O ASP A 75 1.488 -5.209 -10.529 1.00 0.00 O ATOM 906 CB ASP A 75 4.070 -5.942 -10.552 1.00 0.00 C ATOM 907 CG ASP A 75 5.521 -5.709 -10.978 1.00 0.00 C ATOM 908 OD1 ASP A 75 6.062 -6.435 -11.826 1.00 0.00 O ATOM 909 OD2 ASP A 75 6.110 -4.722 -10.392 1.00 0.00 O ATOM 0 H ASP A 75 4.152 -5.396 -13.100 1.00 0.00 H new ATOM 0 HA ASP A 75 3.061 -7.599 -11.483 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.649 -4.994 -10.218 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.063 -6.614 -9.694 1.00 0.00 H new ATOM 915 N GLN A 76 1.043 -5.939 -12.623 1.00 0.00 N ATOM 916 CA GLN A 76 -0.272 -5.324 -12.678 1.00 0.00 C ATOM 917 C GLN A 76 -1.188 -5.934 -11.615 1.00 0.00 C ATOM 918 O GLN A 76 -2.295 -5.448 -11.392 1.00 0.00 O ATOM 919 CB GLN A 76 -0.884 -5.461 -14.073 1.00 0.00 C ATOM 920 CG GLN A 76 -2.410 -5.366 -14.015 1.00 0.00 C ATOM 921 CD GLN A 76 -3.025 -6.692 -13.563 1.00 0.00 C ATOM 922 OE1 GLN A 76 -2.359 -7.708 -13.451 1.00 0.00 O ATOM 923 NE2 GLN A 76 -4.329 -6.625 -13.310 1.00 0.00 N ATOM 0 H GLN A 76 1.311 -6.449 -13.465 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.163 -4.260 -12.469 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.492 -4.680 -14.724 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.592 -6.416 -14.510 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.703 -4.572 -13.328 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.799 -5.097 -14.997 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.826 -5.742 -13.424 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.832 -7.457 -13.002 1.00 0.00 H new ATOM 932 N THR A 77 -0.692 -6.991 -10.989 1.00 0.00 N ATOM 933 CA THR A 77 -1.452 -7.673 -9.955 1.00 0.00 C ATOM 934 C THR A 77 -1.111 -7.102 -8.577 1.00 0.00 C ATOM 935 O THR A 77 0.031 -6.721 -8.325 1.00 0.00 O ATOM 936 CB THR A 77 -1.176 -9.173 -10.077 1.00 0.00 C ATOM 937 OG1 THR A 77 -1.294 -9.436 -11.472 1.00 0.00 O ATOM 938 CG2 THR A 77 -2.277 -10.025 -9.442 1.00 0.00 C ATOM 0 H THR A 77 0.227 -7.392 -11.178 1.00 0.00 H new ATOM 0 HA THR A 77 -2.523 -7.514 -10.081 1.00 0.00 H new ATOM 0 HB THR A 77 -0.221 -9.405 -9.606 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.826 -8.730 -11.894 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.032 -11.081 -9.557 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.358 -9.784 -8.382 1.00 0.00 H new ATOM 0 HG23 THR A 77 -3.227 -9.818 -9.935 1.00 0.00 H new ATOM 946 N PRO A 78 -2.148 -7.060 -7.699 1.00 0.00 N ATOM 947 CA PRO A 78 -1.969 -6.542 -6.354 1.00 0.00 C ATOM 948 C PRO A 78 -1.221 -7.546 -5.475 1.00 0.00 C ATOM 949 O PRO A 78 -0.844 -7.230 -4.347 1.00 0.00 O ATOM 950 CB PRO A 78 -3.375 -6.248 -5.855 1.00 0.00 C ATOM 951 CG PRO A 78 -4.310 -7.041 -6.753 1.00 0.00 C ATOM 952 CD PRO A 78 -3.514 -7.503 -7.963 1.00 0.00 C ATOM 0 HA PRO A 78 -1.355 -5.642 -6.328 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -3.490 -6.545 -4.813 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.593 -5.181 -5.908 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -4.720 -7.897 -6.216 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -5.154 -6.425 -7.064 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -3.564 -8.586 -8.080 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.902 -7.065 -8.883 1.00 0.00 H new ATOM 960 N GLU A 79 -1.028 -8.736 -6.024 1.00 0.00 N ATOM 961 CA GLU A 79 -0.331 -9.789 -5.304 1.00 0.00 C ATOM 962 C GLU A 79 1.119 -9.888 -5.781 1.00 0.00 C ATOM 963 O GLU A 79 1.955 -10.498 -5.116 1.00 0.00 O ATOM 964 CB GLU A 79 -1.052 -11.129 -5.459 1.00 0.00 C ATOM 965 CG GLU A 79 -1.430 -11.709 -4.094 1.00 0.00 C ATOM 966 CD GLU A 79 -2.468 -12.824 -4.241 1.00 0.00 C ATOM 967 OE1 GLU A 79 -3.230 -12.837 -5.219 1.00 0.00 O ATOM 968 OE2 GLU A 79 -2.465 -13.700 -3.293 1.00 0.00 O ATOM 0 H GLU A 79 -1.342 -8.995 -6.959 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.328 -9.536 -4.244 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.950 -10.995 -6.063 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.411 -11.831 -5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.539 -12.099 -3.601 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.827 -10.919 -3.456 1.00 0.00 H new ATOM 976 N ASP A 80 1.373 -9.280 -6.930 1.00 0.00 N ATOM 977 CA ASP A 80 2.708 -9.292 -7.505 1.00 0.00 C ATOM 978 C ASP A 80 3.446 -8.016 -7.096 1.00 0.00 C ATOM 979 O ASP A 80 4.659 -8.034 -6.894 1.00 0.00 O ATOM 980 CB ASP A 80 2.650 -9.336 -9.033 1.00 0.00 C ATOM 981 CG ASP A 80 4.011 -9.349 -9.732 1.00 0.00 C ATOM 982 OD1 ASP A 80 5.015 -8.873 -9.182 1.00 0.00 O ATOM 983 OD2 ASP A 80 4.016 -9.884 -10.906 1.00 0.00 O ATOM 0 H ASP A 80 0.677 -8.775 -7.479 1.00 0.00 H new ATOM 0 HA ASP A 80 3.225 -10.179 -7.139 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.095 -10.224 -9.335 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.086 -8.472 -9.385 1.00 0.00 H new ATOM 989 N LEU A 81 2.683 -6.939 -6.986 1.00 0.00 N ATOM 990 CA LEU A 81 3.249 -5.656 -6.605 1.00 0.00 C ATOM 991 C LEU A 81 3.604 -5.682 -5.117 1.00 0.00 C ATOM 992 O LEU A 81 4.671 -5.214 -4.721 1.00 0.00 O ATOM 993 CB LEU A 81 2.305 -4.517 -6.992 1.00 0.00 C ATOM 994 CG LEU A 81 0.950 -4.498 -6.282 1.00 0.00 C ATOM 995 CD1 LEU A 81 1.043 -3.764 -4.943 1.00 0.00 C ATOM 996 CD2 LEU A 81 -0.135 -3.908 -7.185 1.00 0.00 C ATOM 0 H LEU A 81 1.677 -6.928 -7.154 1.00 0.00 H new ATOM 0 HA LEU A 81 4.174 -5.471 -7.151 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.809 -3.571 -6.795 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.129 -4.567 -8.067 1.00 0.00 H new ATOM 0 HG LEU A 81 0.664 -5.527 -6.066 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.066 -3.765 -4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.766 -4.267 -4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.363 -2.736 -5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.088 -3.906 -6.656 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.132 -2.886 -7.455 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.223 -4.510 -8.089 1.00 0.00 H new ATOM 1008 N ASP A 82 2.689 -6.233 -4.333 1.00 0.00 N ATOM 1009 CA ASP A 82 2.892 -6.326 -2.897 1.00 0.00 C ATOM 1010 C ASP A 82 4.139 -7.167 -2.616 1.00 0.00 C ATOM 1011 O ASP A 82 4.819 -6.959 -1.612 1.00 0.00 O ATOM 1012 CB ASP A 82 1.702 -7.003 -2.215 1.00 0.00 C ATOM 1013 CG ASP A 82 0.927 -6.118 -1.238 1.00 0.00 C ATOM 1014 OD1 ASP A 82 -0.262 -5.830 -1.441 1.00 0.00 O ATOM 1015 OD2 ASP A 82 1.602 -5.712 -0.216 1.00 0.00 O ATOM 0 H ASP A 82 1.805 -6.620 -4.665 1.00 0.00 H new ATOM 0 HA ASP A 82 3.004 -5.315 -2.506 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.015 -7.357 -2.984 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.061 -7.882 -1.679 1.00 0.00 H new ATOM 1021 N MET A 83 4.402 -8.099 -3.520 1.00 0.00 N ATOM 1022 CA MET A 83 5.555 -8.972 -3.382 1.00 0.00 C ATOM 1023 C MET A 83 6.740 -8.449 -4.196 1.00 0.00 C ATOM 1024 O MET A 83 7.686 -7.897 -3.637 1.00 0.00 O ATOM 1025 CB MET A 83 5.190 -10.380 -3.858 1.00 0.00 C ATOM 1026 CG MET A 83 5.058 -11.341 -2.675 1.00 0.00 C ATOM 1027 SD MET A 83 3.335 -11.662 -2.338 1.00 0.00 S ATOM 1028 CE MET A 83 2.885 -12.539 -3.826 1.00 0.00 C ATOM 0 H MET A 83 3.836 -8.269 -4.351 1.00 0.00 H new ATOM 0 HA MET A 83 5.843 -8.998 -2.331 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.252 -10.349 -4.412 1.00 0.00 H new ATOM 0 HB3 MET A 83 5.954 -10.745 -4.544 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.574 -12.275 -2.896 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.536 -10.913 -1.794 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.825 -12.387 -4.032 1.00 0.00 H new ATOM 0 HE2 MET A 83 3.475 -12.163 -4.662 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.080 -13.603 -3.694 1.00 0.00 H new ATOM 1038 N GLU A 84 6.648 -8.640 -5.504 1.00 0.00 N ATOM 1039 CA GLU A 84 7.700 -8.194 -6.401 1.00 0.00 C ATOM 1040 C GLU A 84 7.913 -6.686 -6.261 1.00 0.00 C ATOM 1041 O GLU A 84 7.030 -5.972 -5.789 1.00 0.00 O ATOM 1042 CB GLU A 84 7.383 -8.571 -7.850 1.00 0.00 C ATOM 1043 CG GLU A 84 8.662 -8.889 -8.627 1.00 0.00 C ATOM 1044 CD GLU A 84 9.204 -10.269 -8.248 1.00 0.00 C ATOM 1045 OE1 GLU A 84 9.248 -10.612 -7.057 1.00 0.00 O ATOM 1046 OE2 GLU A 84 9.588 -10.996 -9.242 1.00 0.00 O ATOM 0 H GLU A 84 5.861 -9.098 -5.964 1.00 0.00 H new ATOM 0 HA GLU A 84 8.625 -8.699 -6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.718 -9.435 -7.868 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.853 -7.751 -8.335 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.460 -8.855 -9.697 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.416 -8.129 -8.421 1.00 0.00 H new ATOM 1054 N ASP A 85 9.091 -6.245 -6.680 1.00 0.00 N ATOM 1055 CA ASP A 85 9.431 -4.834 -6.608 1.00 0.00 C ATOM 1056 C ASP A 85 10.163 -4.424 -7.887 1.00 0.00 C ATOM 1057 O ASP A 85 11.392 -4.381 -7.916 1.00 0.00 O ATOM 1058 CB ASP A 85 10.355 -4.551 -5.422 1.00 0.00 C ATOM 1059 CG ASP A 85 11.540 -5.508 -5.283 1.00 0.00 C ATOM 1060 OD1 ASP A 85 12.655 -5.215 -5.740 1.00 0.00 O ATOM 1061 OD2 ASP A 85 11.281 -6.612 -4.667 1.00 0.00 O ATOM 0 H ASP A 85 9.822 -6.840 -7.070 1.00 0.00 H new ATOM 0 HA ASP A 85 8.506 -4.270 -6.488 1.00 0.00 H new ATOM 0 HB2 ASP A 85 10.737 -3.534 -5.513 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.767 -4.589 -4.505 1.00 0.00 H new ATOM 1067 N ASN A 86 9.377 -4.134 -8.913 1.00 0.00 N ATOM 1068 CA ASN A 86 9.936 -3.729 -10.192 1.00 0.00 C ATOM 1069 C ASN A 86 8.797 -3.419 -11.166 1.00 0.00 C ATOM 1070 O ASN A 86 8.269 -4.321 -11.815 1.00 0.00 O ATOM 1071 CB ASN A 86 10.788 -4.845 -10.800 1.00 0.00 C ATOM 1072 CG ASN A 86 11.795 -4.281 -11.804 1.00 0.00 C ATOM 1073 OD1 ASN A 86 11.495 -3.405 -12.598 1.00 0.00 O ATOM 1074 ND2 ASN A 86 13.003 -4.831 -11.724 1.00 0.00 N ATOM 0 H ASN A 86 8.358 -4.171 -8.885 1.00 0.00 H new ATOM 0 HA ASN A 86 10.560 -2.851 -10.024 1.00 0.00 H new ATOM 0 HB2 ASN A 86 11.317 -5.376 -10.008 1.00 0.00 H new ATOM 0 HB3 ASN A 86 10.143 -5.571 -11.295 1.00 0.00 H new ATOM 0 HD21 ASN A 86 13.746 -4.523 -12.351 1.00 0.00 H new ATOM 0 HD22 ASN A 86 13.187 -5.561 -11.035 1.00 0.00 H new ATOM 1081 N ASP A 87 8.453 -2.142 -11.238 1.00 0.00 N ATOM 1082 CA ASP A 87 7.386 -1.703 -12.121 1.00 0.00 C ATOM 1083 C ASP A 87 7.958 -1.456 -13.519 1.00 0.00 C ATOM 1084 O ASP A 87 8.841 -0.618 -13.694 1.00 0.00 O ATOM 1085 CB ASP A 87 6.765 -0.395 -11.627 1.00 0.00 C ATOM 1086 CG ASP A 87 6.518 -0.326 -10.119 1.00 0.00 C ATOM 1087 OD1 ASP A 87 6.437 0.765 -9.534 1.00 0.00 O ATOM 1088 OD2 ASP A 87 6.407 -1.469 -9.532 1.00 0.00 O ATOM 0 H ASP A 87 8.894 -1.397 -10.699 1.00 0.00 H new ATOM 0 HA ASP A 87 6.622 -2.480 -12.140 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.418 0.430 -11.911 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.817 -0.243 -12.143 1.00 0.00 H new ATOM 1094 N ILE A 88 7.430 -2.201 -14.479 1.00 0.00 N ATOM 1095 CA ILE A 88 7.876 -2.074 -15.856 1.00 0.00 C ATOM 1096 C ILE A 88 6.814 -2.660 -16.788 1.00 0.00 C ATOM 1097 O ILE A 88 6.363 -3.788 -16.591 1.00 0.00 O ATOM 1098 CB ILE A 88 9.261 -2.701 -16.031 1.00 0.00 C ATOM 1099 CG1 ILE A 88 9.235 -3.801 -17.094 1.00 0.00 C ATOM 1100 CG2 ILE A 88 9.805 -3.209 -14.694 1.00 0.00 C ATOM 1101 CD1 ILE A 88 8.586 -5.075 -16.550 1.00 0.00 C ATOM 0 H ILE A 88 6.697 -2.895 -14.330 1.00 0.00 H new ATOM 0 HA ILE A 88 7.991 -1.024 -16.123 1.00 0.00 H new ATOM 0 HB ILE A 88 9.944 -1.928 -16.384 1.00 0.00 H new ATOM 0 HG12 ILE A 88 8.685 -3.453 -17.968 1.00 0.00 H new ATOM 0 HG13 ILE A 88 10.251 -4.018 -17.422 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.790 -3.650 -14.846 1.00 0.00 H new ATOM 0 HG22 ILE A 88 9.884 -2.377 -13.994 1.00 0.00 H new ATOM 0 HG23 ILE A 88 9.129 -3.962 -14.289 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.581 -5.840 -17.326 1.00 0.00 H new ATOM 0 HD12 ILE A 88 9.153 -5.434 -15.691 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.562 -4.860 -16.245 1.00 0.00 H new ATOM 1113 N ILE A 89 6.444 -1.868 -17.784 1.00 0.00 N ATOM 1114 CA ILE A 89 5.443 -2.295 -18.747 1.00 0.00 C ATOM 1115 C ILE A 89 5.748 -1.661 -20.107 1.00 0.00 C ATOM 1116 O ILE A 89 6.608 -0.789 -20.210 1.00 0.00 O ATOM 1117 CB ILE A 89 4.037 -1.991 -18.228 1.00 0.00 C ATOM 1118 CG1 ILE A 89 3.941 -2.243 -16.722 1.00 0.00 C ATOM 1119 CG2 ILE A 89 2.982 -2.777 -19.009 1.00 0.00 C ATOM 1120 CD1 ILE A 89 2.568 -1.837 -16.184 1.00 0.00 C ATOM 0 H ILE A 89 6.819 -0.933 -17.945 1.00 0.00 H new ATOM 0 HA ILE A 89 5.480 -3.376 -18.883 1.00 0.00 H new ATOM 0 HB ILE A 89 3.835 -0.932 -18.390 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.119 -3.298 -16.514 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.719 -1.681 -16.205 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.991 -2.542 -18.620 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.032 -2.504 -20.063 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.170 -3.845 -18.901 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.527 -2.027 -15.111 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.403 -0.776 -16.372 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.794 -2.419 -16.685 1.00 0.00 H new ATOM 1132 N GLU A 90 5.025 -2.126 -21.115 1.00 0.00 N ATOM 1133 CA GLU A 90 5.206 -1.616 -22.463 1.00 0.00 C ATOM 1134 C GLU A 90 3.937 -0.905 -22.937 1.00 0.00 C ATOM 1135 O GLU A 90 2.832 -1.411 -22.752 1.00 0.00 O ATOM 1136 CB GLU A 90 5.598 -2.739 -23.426 1.00 0.00 C ATOM 1137 CG GLU A 90 5.491 -2.276 -24.881 1.00 0.00 C ATOM 1138 CD GLU A 90 6.672 -2.789 -25.707 1.00 0.00 C ATOM 1139 OE1 GLU A 90 7.207 -3.870 -25.419 1.00 0.00 O ATOM 1140 OE2 GLU A 90 7.030 -2.023 -26.681 1.00 0.00 O ATOM 0 H GLU A 90 4.313 -2.851 -21.025 1.00 0.00 H new ATOM 0 HA GLU A 90 6.021 -0.892 -22.450 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.618 -3.062 -23.218 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.951 -3.602 -23.267 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.557 -2.635 -25.313 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.462 -1.187 -24.919 1.00 0.00 H new ATOM 1148 N ALA A 91 4.139 0.258 -23.541 1.00 0.00 N ATOM 1149 CA ALA A 91 3.024 1.043 -24.043 1.00 0.00 C ATOM 1150 C ALA A 91 3.057 1.047 -25.572 1.00 0.00 C ATOM 1151 O ALA A 91 4.120 1.194 -26.174 1.00 0.00 O ATOM 1152 CB ALA A 91 3.088 2.454 -23.454 1.00 0.00 C ATOM 0 H ALA A 91 5.057 0.675 -23.694 1.00 0.00 H new ATOM 0 HA ALA A 91 2.075 0.604 -23.735 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.252 3.044 -23.830 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.032 2.397 -22.367 1.00 0.00 H new ATOM 0 HB3 ALA A 91 4.026 2.928 -23.745 1.00 0.00 H new ATOM 1158 N HIS A 92 1.880 0.885 -26.158 1.00 0.00 N ATOM 1159 CA HIS A 92 1.760 0.869 -27.606 1.00 0.00 C ATOM 1160 C HIS A 92 0.724 1.904 -28.048 1.00 0.00 C ATOM 1161 O HIS A 92 0.160 2.616 -27.218 1.00 0.00 O ATOM 1162 CB HIS A 92 1.442 -0.541 -28.109 1.00 0.00 C ATOM 1163 CG HIS A 92 2.596 -1.219 -28.807 1.00 0.00 C ATOM 1164 ND1 HIS A 92 2.625 -1.434 -30.174 1.00 0.00 N ATOM 1165 CD2 HIS A 92 3.762 -1.728 -28.313 1.00 0.00 C ATOM 1166 CE1 HIS A 92 3.760 -2.045 -30.478 1.00 0.00 C ATOM 1167 NE2 HIS A 92 4.463 -2.227 -29.323 1.00 0.00 N ATOM 0 H HIS A 92 1.000 0.764 -25.656 1.00 0.00 H new ATOM 0 HA HIS A 92 2.713 1.147 -28.056 1.00 0.00 H new ATOM 0 HB2 HIS A 92 1.130 -1.155 -27.264 1.00 0.00 H new ATOM 0 HB3 HIS A 92 0.596 -0.489 -28.795 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.063 -1.725 -27.276 1.00 0.00 H new ATOM 0 HE1 HIS A 92 4.074 -2.346 -31.466 1.00 0.00 H new ATOM 0 HE2 HIS A 92 5.377 -2.673 -29.248 1.00 0.00 H new ATOM 1175 N ARG A 93 0.504 1.955 -29.353 1.00 0.00 N ATOM 1176 CA ARG A 93 -0.455 2.891 -29.915 1.00 0.00 C ATOM 1177 C ARG A 93 -1.758 2.170 -30.264 1.00 0.00 C ATOM 1178 O ARG A 93 -1.735 1.049 -30.771 1.00 0.00 O ATOM 1179 CB ARG A 93 0.102 3.561 -31.172 1.00 0.00 C ATOM 1180 CG ARG A 93 1.632 3.541 -31.173 1.00 0.00 C ATOM 1181 CD ARG A 93 2.190 4.288 -29.959 1.00 0.00 C ATOM 1182 NE ARG A 93 3.583 4.713 -30.223 1.00 0.00 N ATOM 1183 CZ ARG A 93 3.919 5.892 -30.790 1.00 0.00 C ATOM 1184 NH1 ARG A 93 2.964 6.773 -31.158 1.00 0.00 N ATOM 1185 NH2 ARG A 93 5.196 6.169 -30.980 1.00 0.00 N ATOM 0 H ARG A 93 0.974 1.363 -30.038 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.650 3.657 -29.165 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.272 3.048 -32.058 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.252 4.591 -31.227 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.986 2.510 -31.165 1.00 0.00 H new ATOM 0 HG3 ARG A 93 2.005 3.999 -32.089 1.00 0.00 H new ATOM 0 HD2 ARG A 93 1.571 5.158 -29.741 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.158 3.645 -29.079 1.00 0.00 H new ATOM 0 HE ARG A 93 4.336 4.076 -29.961 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.980 6.550 -31.008 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.227 7.661 -31.585 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.911 5.497 -30.700 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.468 7.055 -31.407 1.00 0.00 H new ATOM 1198 N GLU A 94 -2.864 2.842 -29.979 1.00 0.00 N ATOM 1199 CA GLU A 94 -4.174 2.280 -30.257 1.00 0.00 C ATOM 1200 C GLU A 94 -5.229 3.387 -30.299 1.00 0.00 C ATOM 1201 O GLU A 94 -5.967 3.583 -29.335 1.00 0.00 O ATOM 1202 CB GLU A 94 -4.542 1.211 -29.226 1.00 0.00 C ATOM 1203 CG GLU A 94 -4.543 -0.183 -29.857 1.00 0.00 C ATOM 1204 CD GLU A 94 -5.958 -0.601 -30.261 1.00 0.00 C ATOM 1205 OE1 GLU A 94 -6.363 -0.386 -31.413 1.00 0.00 O ATOM 1206 OE2 GLU A 94 -6.646 -1.169 -29.329 1.00 0.00 O ATOM 0 H GLU A 94 -2.879 3.771 -29.558 1.00 0.00 H new ATOM 0 HA GLU A 94 -4.141 1.799 -31.235 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.833 1.239 -28.399 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.526 1.426 -28.809 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.894 -0.190 -30.733 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.134 -0.906 -29.151 1.00 0.00 H new