USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 577 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 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -71:sc= 1 USER MOD Single : A 50 ASN : amide:sc= -1.8 K(o=-1.8,f=-4.2!) USER MOD Single : A 51 THR OG1 : rot -61:sc= -1.06 USER MOD Single : A 57 ASN : amide:sc= -0.0848 K(o=-0.085,f=-1.9!) USER MOD Single : A 60 CYS SG : rot 31:sc= 0.0584 USER MOD Single : A 69 GLN : amide:sc= -0.0154 K(o=-0.015,f=-1.9!) USER MOD Single : A 70 SER OG : rot 180:sc= 0.048 USER MOD Single : A 71 GLN : amide:sc= -0.739 K(o=-0.74,f=-0.096) USER MOD Single : A 72 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.219) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.745 USER MOD Single : A 75 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.023) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 8 12.166 2.234 8.187 1.00 0.00 N ATOM 2 CA HIS A 8 11.606 1.043 8.886 1.00 0.00 C ATOM 3 C HIS A 8 12.655 -0.071 8.915 1.00 0.00 C ATOM 4 O HIS A 8 12.354 -1.225 8.681 1.00 0.00 O ATOM 5 CB HIS A 8 10.362 0.553 8.143 1.00 0.00 C ATOM 6 CG HIS A 8 9.157 0.703 9.030 1.00 0.00 C ATOM 7 ND1 HIS A 8 8.261 1.752 8.889 1.00 0.00 N ATOM 8 CD2 HIS A 8 8.685 -0.055 10.074 1.00 0.00 C ATOM 9 CE1 HIS A 8 7.306 1.598 9.825 1.00 0.00 C ATOM 10 NE2 HIS A 8 7.518 0.513 10.575 1.00 0.00 N ATOM 0 HA HIS A 8 11.336 1.315 9.906 1.00 0.00 H new ATOM 0 HB2 HIS A 8 10.225 1.125 7.225 1.00 0.00 H new ATOM 0 HB3 HIS A 8 10.486 -0.490 7.853 1.00 0.00 H new ATOM 0 HD2 HIS A 8 9.149 -0.955 10.449 1.00 0.00 H new ATOM 0 HE1 HIS A 8 6.470 2.270 9.954 1.00 0.00 H new ATOM 0 HE2 HIS A 8 6.947 0.174 11.349 1.00 0.00 H new ATOM 20 N MET A 9 13.883 0.265 9.201 1.00 0.00 N ATOM 21 CA MET A 9 14.948 -0.775 9.243 1.00 0.00 C ATOM 22 C MET A 9 16.221 -0.176 9.847 1.00 0.00 C ATOM 23 O MET A 9 16.527 0.983 9.650 1.00 0.00 O ATOM 24 CB MET A 9 15.241 -1.266 7.824 1.00 0.00 C ATOM 25 CG MET A 9 14.412 -2.519 7.536 1.00 0.00 C ATOM 26 SD MET A 9 13.317 -2.209 6.129 1.00 0.00 S ATOM 27 CE MET A 9 14.454 -2.756 4.832 1.00 0.00 C ATOM 0 H MET A 9 14.194 1.214 9.407 1.00 0.00 H new ATOM 0 HA MET A 9 14.613 -1.613 9.855 1.00 0.00 H new ATOM 0 HB2 MET A 9 15.003 -0.486 7.101 1.00 0.00 H new ATOM 0 HB3 MET A 9 16.303 -1.487 7.716 1.00 0.00 H new ATOM 0 HG2 MET A 9 15.069 -3.361 7.320 1.00 0.00 H new ATOM 0 HG3 MET A 9 13.826 -2.790 8.414 1.00 0.00 H new ATOM 0 HE1 MET A 9 13.974 -2.649 3.859 1.00 0.00 H new ATOM 0 HE2 MET A 9 15.358 -2.147 4.860 1.00 0.00 H new ATOM 0 HE3 MET A 9 14.716 -3.802 4.995 1.00 0.00 H new ATOM 37 N VAL A 10 16.965 -0.956 10.581 1.00 0.00 N ATOM 38 CA VAL A 10 18.216 -0.431 11.195 1.00 0.00 C ATOM 39 C VAL A 10 19.144 0.089 10.096 1.00 0.00 C ATOM 40 O VAL A 10 19.053 -0.310 8.951 1.00 0.00 O ATOM 41 CB VAL A 10 18.916 -1.551 11.965 1.00 0.00 C ATOM 42 CG1 VAL A 10 18.025 -2.013 13.119 1.00 0.00 C ATOM 43 CG2 VAL A 10 19.179 -2.729 11.023 1.00 0.00 C ATOM 0 H VAL A 10 16.760 -1.935 10.782 1.00 0.00 H new ATOM 0 HA VAL A 10 17.971 0.382 11.879 1.00 0.00 H new ATOM 0 HB VAL A 10 19.862 -1.182 12.362 1.00 0.00 H new ATOM 0 HG11 VAL A 10 18.525 -2.811 13.667 1.00 0.00 H new ATOM 0 HG12 VAL A 10 17.835 -1.175 13.790 1.00 0.00 H new ATOM 0 HG13 VAL A 10 17.079 -2.382 12.723 1.00 0.00 H new ATOM 0 HG21 VAL A 10 19.678 -3.528 11.571 1.00 0.00 H new ATOM 0 HG22 VAL A 10 18.232 -3.097 10.627 1.00 0.00 H new ATOM 0 HG23 VAL A 10 19.814 -2.402 10.200 1.00 0.00 H new ATOM 53 N GLU A 11 20.038 0.979 10.432 1.00 0.00 N ATOM 54 CA GLU A 11 20.971 1.523 9.405 1.00 0.00 C ATOM 55 C GLU A 11 22.252 2.011 10.087 1.00 0.00 C ATOM 56 O GLU A 11 22.461 1.794 11.264 1.00 0.00 O ATOM 57 CB GLU A 11 20.303 2.693 8.679 1.00 0.00 C ATOM 58 CG GLU A 11 19.235 2.157 7.723 1.00 0.00 C ATOM 59 CD GLU A 11 18.986 3.178 6.612 1.00 0.00 C ATOM 60 OE1 GLU A 11 19.695 4.170 6.575 1.00 0.00 O ATOM 61 OE2 GLU A 11 18.089 2.950 5.816 1.00 0.00 O ATOM 0 H GLU A 11 20.162 1.353 11.373 1.00 0.00 H new ATOM 0 HA GLU A 11 21.217 0.741 8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 11 19.851 3.373 9.401 1.00 0.00 H new ATOM 0 HB3 GLU A 11 21.048 3.265 8.126 1.00 0.00 H new ATOM 0 HG2 GLU A 11 19.559 1.209 7.294 1.00 0.00 H new ATOM 0 HG3 GLU A 11 18.310 1.962 8.266 1.00 0.00 H new ATOM 68 N GLU A 12 23.110 2.668 9.356 1.00 0.00 N ATOM 69 CA GLU A 12 24.376 3.168 9.963 1.00 0.00 C ATOM 70 C GLU A 12 25.088 4.090 8.971 1.00 0.00 C ATOM 71 O GLU A 12 24.770 4.121 7.799 1.00 0.00 O ATOM 72 CB GLU A 12 25.283 1.984 10.301 1.00 0.00 C ATOM 73 CG GLU A 12 25.713 2.071 11.767 1.00 0.00 C ATOM 74 CD GLU A 12 25.714 0.672 12.383 1.00 0.00 C ATOM 75 OE1 GLU A 12 26.276 -0.222 11.775 1.00 0.00 O ATOM 76 OE2 GLU A 12 25.151 0.518 13.456 1.00 0.00 O ATOM 0 H GLU A 12 22.989 2.880 8.366 1.00 0.00 H new ATOM 0 HA GLU A 12 24.148 3.721 10.874 1.00 0.00 H new ATOM 0 HB2 GLU A 12 24.757 1.047 10.121 1.00 0.00 H new ATOM 0 HB3 GLU A 12 26.160 1.988 9.653 1.00 0.00 H new ATOM 0 HG2 GLU A 12 26.707 2.512 11.840 1.00 0.00 H new ATOM 0 HG3 GLU A 12 25.034 2.722 12.318 1.00 0.00 H new ATOM 83 N VAL A 13 26.049 4.844 9.433 1.00 0.00 N ATOM 84 CA VAL A 13 26.779 5.764 8.516 1.00 0.00 C ATOM 85 C VAL A 13 25.774 6.547 7.671 1.00 0.00 C ATOM 86 O VAL A 13 25.427 6.151 6.576 1.00 0.00 O ATOM 87 CB VAL A 13 27.694 4.951 7.598 1.00 0.00 C ATOM 88 CG1 VAL A 13 28.242 5.855 6.492 1.00 0.00 C ATOM 89 CG2 VAL A 13 28.857 4.381 8.413 1.00 0.00 C ATOM 0 H VAL A 13 26.359 4.862 10.404 1.00 0.00 H new ATOM 0 HA VAL A 13 27.379 6.459 9.103 1.00 0.00 H new ATOM 0 HB VAL A 13 27.127 4.134 7.152 1.00 0.00 H new ATOM 0 HG11 VAL A 13 28.894 5.276 5.838 1.00 0.00 H new ATOM 0 HG12 VAL A 13 27.414 6.262 5.911 1.00 0.00 H new ATOM 0 HG13 VAL A 13 28.809 6.672 6.938 1.00 0.00 H new ATOM 0 HG21 VAL A 13 29.509 3.802 7.760 1.00 0.00 H new ATOM 0 HG22 VAL A 13 29.423 5.198 8.859 1.00 0.00 H new ATOM 0 HG23 VAL A 13 28.468 3.737 9.201 1.00 0.00 H new ATOM 99 N LEU A 14 25.300 7.655 8.171 1.00 0.00 N ATOM 100 CA LEU A 14 24.316 8.462 7.395 1.00 0.00 C ATOM 101 C LEU A 14 25.031 9.642 6.734 1.00 0.00 C ATOM 102 O LEU A 14 24.986 10.756 7.215 1.00 0.00 O ATOM 103 CB LEU A 14 23.231 8.987 8.338 1.00 0.00 C ATOM 104 CG LEU A 14 21.888 8.351 7.976 1.00 0.00 C ATOM 105 CD1 LEU A 14 21.493 8.765 6.557 1.00 0.00 C ATOM 106 CD2 LEU A 14 22.012 6.827 8.045 1.00 0.00 C ATOM 0 H LEU A 14 25.551 8.036 9.083 1.00 0.00 H new ATOM 0 HA LEU A 14 23.860 7.838 6.627 1.00 0.00 H new ATOM 0 HB2 LEU A 14 23.489 8.754 9.371 1.00 0.00 H new ATOM 0 HB3 LEU A 14 23.163 10.072 8.263 1.00 0.00 H new ATOM 0 HG LEU A 14 21.125 8.687 8.678 1.00 0.00 H new ATOM 0 HD11 LEU A 14 20.536 8.312 6.299 1.00 0.00 H new ATOM 0 HD12 LEU A 14 21.406 9.850 6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 14 22.255 8.428 5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 14 21.056 6.372 7.787 1.00 0.00 H new ATOM 0 HD22 LEU A 14 22.774 6.492 7.342 1.00 0.00 H new ATOM 0 HD23 LEU A 14 22.294 6.530 9.055 1.00 0.00 H new ATOM 118 N GLU A 15 25.690 9.406 5.632 1.00 0.00 N ATOM 119 CA GLU A 15 26.406 10.515 4.942 1.00 0.00 C ATOM 120 C GLU A 15 25.513 11.092 3.841 1.00 0.00 C ATOM 121 O GLU A 15 25.971 11.791 2.960 1.00 0.00 O ATOM 122 CB GLU A 15 27.699 9.979 4.322 1.00 0.00 C ATOM 123 CG GLU A 15 28.762 11.078 4.326 1.00 0.00 C ATOM 124 CD GLU A 15 30.126 10.468 4.651 1.00 0.00 C ATOM 125 OE1 GLU A 15 30.495 9.507 3.995 1.00 0.00 O ATOM 126 OE2 GLU A 15 30.779 10.971 5.550 1.00 0.00 O ATOM 0 H GLU A 15 25.763 8.494 5.181 1.00 0.00 H new ATOM 0 HA GLU A 15 26.645 11.297 5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 15 28.053 9.114 4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 15 27.513 9.642 3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 15 28.794 11.571 3.354 1.00 0.00 H new ATOM 0 HG3 GLU A 15 28.508 11.841 5.062 1.00 0.00 H new ATOM 133 N GLU A 16 24.241 10.803 3.886 1.00 0.00 N ATOM 134 CA GLU A 16 23.321 11.334 2.841 1.00 0.00 C ATOM 135 C GLU A 16 22.209 12.149 3.508 1.00 0.00 C ATOM 136 O GLU A 16 21.042 11.827 3.400 1.00 0.00 O ATOM 137 CB GLU A 16 22.704 10.168 2.065 1.00 0.00 C ATOM 138 CG GLU A 16 22.180 10.673 0.719 1.00 0.00 C ATOM 139 CD GLU A 16 22.414 9.606 -0.352 1.00 0.00 C ATOM 140 OE1 GLU A 16 22.635 8.464 0.016 1.00 0.00 O ATOM 141 OE2 GLU A 16 22.369 9.949 -1.523 1.00 0.00 O ATOM 0 H GLU A 16 23.800 10.223 4.600 1.00 0.00 H new ATOM 0 HA GLU A 16 23.878 11.972 2.155 1.00 0.00 H new ATOM 0 HB2 GLU A 16 23.448 9.387 1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 16 21.892 9.723 2.640 1.00 0.00 H new ATOM 0 HG2 GLU A 16 21.117 10.902 0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 16 22.687 11.598 0.443 1.00 0.00 H new ATOM 148 N GLU A 17 22.561 13.200 4.195 1.00 0.00 N ATOM 149 CA GLU A 17 21.524 14.033 4.866 1.00 0.00 C ATOM 150 C GLU A 17 20.808 14.894 3.825 1.00 0.00 C ATOM 151 O GLU A 17 21.291 15.937 3.430 1.00 0.00 O ATOM 152 CB GLU A 17 22.190 14.936 5.906 1.00 0.00 C ATOM 153 CG GLU A 17 22.078 14.291 7.289 1.00 0.00 C ATOM 154 CD GLU A 17 20.805 14.781 7.981 1.00 0.00 C ATOM 155 OE1 GLU A 17 20.146 15.642 7.422 1.00 0.00 O ATOM 156 OE2 GLU A 17 20.511 14.285 9.056 1.00 0.00 O ATOM 0 H GLU A 17 23.522 13.518 4.321 1.00 0.00 H new ATOM 0 HA GLU A 17 20.800 13.384 5.359 1.00 0.00 H new ATOM 0 HB2 GLU A 17 23.238 15.092 5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 17 21.713 15.916 5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.058 13.205 7.195 1.00 0.00 H new ATOM 0 HG3 GLU A 17 22.951 14.543 7.891 1.00 0.00 H new ATOM 163 N GLU A 18 19.660 14.468 3.375 1.00 0.00 N ATOM 164 CA GLU A 18 18.915 15.263 2.358 1.00 0.00 C ATOM 165 C GLU A 18 17.420 15.230 2.682 1.00 0.00 C ATOM 166 O GLU A 18 16.793 16.255 2.866 1.00 0.00 O ATOM 167 CB GLU A 18 19.149 14.663 0.970 1.00 0.00 C ATOM 168 CG GLU A 18 19.523 15.777 -0.011 1.00 0.00 C ATOM 169 CD GLU A 18 19.967 15.160 -1.338 1.00 0.00 C ATOM 170 OE1 GLU A 18 19.138 14.549 -1.992 1.00 0.00 O ATOM 171 OE2 GLU A 18 21.129 15.308 -1.679 1.00 0.00 O ATOM 0 H GLU A 18 19.205 13.603 3.668 1.00 0.00 H new ATOM 0 HA GLU A 18 19.268 16.294 2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 18 19.945 13.919 1.013 1.00 0.00 H new ATOM 0 HB3 GLU A 18 18.251 14.149 0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 18 18.670 16.436 -0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 18 20.324 16.388 0.404 1.00 0.00 H new ATOM 178 N GLU A 19 16.844 14.063 2.753 1.00 0.00 N ATOM 179 CA GLU A 19 15.390 13.965 3.065 1.00 0.00 C ATOM 180 C GLU A 19 15.152 12.801 4.028 1.00 0.00 C ATOM 181 O GLU A 19 16.038 12.015 4.298 1.00 0.00 O ATOM 182 CB GLU A 19 14.605 13.728 1.773 1.00 0.00 C ATOM 183 CG GLU A 19 13.974 15.043 1.311 1.00 0.00 C ATOM 184 CD GLU A 19 13.662 14.963 -0.185 1.00 0.00 C ATOM 185 OE1 GLU A 19 13.371 13.874 -0.652 1.00 0.00 O ATOM 186 OE2 GLU A 19 13.722 15.991 -0.838 1.00 0.00 O ATOM 0 H GLU A 19 17.317 13.171 2.608 1.00 0.00 H new ATOM 0 HA GLU A 19 15.055 14.893 3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.266 13.338 0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.831 12.979 1.938 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.061 15.238 1.874 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.653 15.873 1.508 1.00 0.00 H new ATOM 193 N GLU A 20 13.961 12.684 4.549 1.00 0.00 N ATOM 194 CA GLU A 20 13.668 11.570 5.494 1.00 0.00 C ATOM 195 C GLU A 20 12.699 10.585 4.837 1.00 0.00 C ATOM 196 O GLU A 20 12.116 10.866 3.809 1.00 0.00 O ATOM 197 CB GLU A 20 13.038 12.137 6.768 1.00 0.00 C ATOM 198 CG GLU A 20 14.011 13.115 7.428 1.00 0.00 C ATOM 199 CD GLU A 20 13.689 13.232 8.919 1.00 0.00 C ATOM 200 OE1 GLU A 20 12.532 13.453 9.239 1.00 0.00 O ATOM 201 OE2 GLU A 20 14.603 13.098 9.715 1.00 0.00 O ATOM 0 H GLU A 20 13.179 13.311 4.361 1.00 0.00 H new ATOM 0 HA GLU A 20 14.594 11.052 5.746 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.103 12.644 6.529 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.795 11.328 7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 20 15.036 12.770 7.293 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.938 14.093 6.952 1.00 0.00 H new ATOM 208 N TYR A 21 12.521 9.432 5.422 1.00 0.00 N ATOM 209 CA TYR A 21 11.590 8.431 4.830 1.00 0.00 C ATOM 210 C TYR A 21 10.146 8.820 5.152 1.00 0.00 C ATOM 211 O TYR A 21 9.770 8.956 6.299 1.00 0.00 O ATOM 212 CB TYR A 21 11.887 7.049 5.415 1.00 0.00 C ATOM 213 CG TYR A 21 13.377 6.885 5.589 1.00 0.00 C ATOM 214 CD1 TYR A 21 14.231 7.016 4.486 1.00 0.00 C ATOM 215 CD2 TYR A 21 13.907 6.601 6.855 1.00 0.00 C ATOM 216 CE1 TYR A 21 15.615 6.866 4.648 1.00 0.00 C ATOM 217 CE2 TYR A 21 15.291 6.451 7.017 1.00 0.00 C ATOM 218 CZ TYR A 21 16.145 6.582 5.914 1.00 0.00 C ATOM 219 OH TYR A 21 17.507 6.433 6.074 1.00 0.00 O ATOM 0 H TYR A 21 12.980 9.140 6.285 1.00 0.00 H new ATOM 0 HA TYR A 21 11.726 8.406 3.749 1.00 0.00 H new ATOM 0 HB2 TYR A 21 11.383 6.933 6.375 1.00 0.00 H new ATOM 0 HB3 TYR A 21 11.500 6.272 4.756 1.00 0.00 H new ATOM 0 HD1 TYR A 21 13.822 7.233 3.510 1.00 0.00 H new ATOM 0 HD2 TYR A 21 13.249 6.498 7.705 1.00 0.00 H new ATOM 0 HE1 TYR A 21 16.273 6.969 3.798 1.00 0.00 H new ATOM 0 HE2 TYR A 21 15.700 6.234 7.993 1.00 0.00 H new ATOM 0 HH TYR A 21 17.707 6.240 7.014 1.00 0.00 H new ATOM 229 N VAL A 22 9.332 9.000 4.147 1.00 0.00 N ATOM 230 CA VAL A 22 7.914 9.380 4.396 1.00 0.00 C ATOM 231 C VAL A 22 7.003 8.594 3.450 1.00 0.00 C ATOM 232 O VAL A 22 7.446 8.047 2.458 1.00 0.00 O ATOM 233 CB VAL A 22 7.736 10.878 4.148 1.00 0.00 C ATOM 234 CG1 VAL A 22 6.517 11.383 4.923 1.00 0.00 C ATOM 235 CG2 VAL A 22 8.984 11.624 4.623 1.00 0.00 C ATOM 0 H VAL A 22 9.589 8.900 3.165 1.00 0.00 H new ATOM 0 HA VAL A 22 7.652 9.150 5.429 1.00 0.00 H new ATOM 0 HB VAL A 22 7.588 11.054 3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.390 12.451 4.746 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.627 10.851 4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.665 11.207 5.988 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.858 12.692 4.447 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.130 11.447 5.688 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.854 11.265 4.073 1.00 0.00 H new ATOM 245 N VAL A 23 5.733 8.534 3.746 1.00 0.00 N ATOM 246 CA VAL A 23 4.795 7.791 2.871 1.00 0.00 C ATOM 247 C VAL A 23 4.293 8.723 1.769 1.00 0.00 C ATOM 248 O VAL A 23 3.639 9.713 2.033 1.00 0.00 O ATOM 249 CB VAL A 23 3.616 7.306 3.707 1.00 0.00 C ATOM 250 CG1 VAL A 23 4.131 6.535 4.923 1.00 0.00 C ATOM 251 CG2 VAL A 23 2.796 8.510 4.178 1.00 0.00 C ATOM 0 H VAL A 23 5.307 8.972 4.563 1.00 0.00 H new ATOM 0 HA VAL A 23 5.301 6.936 2.421 1.00 0.00 H new ATOM 0 HB VAL A 23 2.989 6.651 3.102 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.286 6.189 5.519 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.715 5.677 4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.759 7.188 5.529 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.953 8.164 4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.425 9.165 4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.426 9.059 3.312 1.00 0.00 H new ATOM 261 N GLU A 24 4.595 8.422 0.538 1.00 0.00 N ATOM 262 CA GLU A 24 4.135 9.301 -0.569 1.00 0.00 C ATOM 263 C GLU A 24 2.801 8.783 -1.114 1.00 0.00 C ATOM 264 O GLU A 24 1.990 9.537 -1.612 1.00 0.00 O ATOM 265 CB GLU A 24 5.179 9.302 -1.688 1.00 0.00 C ATOM 266 CG GLU A 24 5.227 10.686 -2.340 1.00 0.00 C ATOM 267 CD GLU A 24 3.819 11.095 -2.775 1.00 0.00 C ATOM 268 OE1 GLU A 24 3.438 10.749 -3.881 1.00 0.00 O ATOM 269 OE2 GLU A 24 3.145 11.747 -1.995 1.00 0.00 O ATOM 0 H GLU A 24 5.139 7.608 0.252 1.00 0.00 H new ATOM 0 HA GLU A 24 4.003 10.316 -0.195 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.159 9.043 -1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.930 8.546 -2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.629 11.417 -1.638 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.895 10.671 -3.201 1.00 0.00 H new ATOM 276 N LYS A 25 2.569 7.502 -1.026 1.00 0.00 N ATOM 277 CA LYS A 25 1.290 6.940 -1.540 1.00 0.00 C ATOM 278 C LYS A 25 1.427 5.423 -1.665 1.00 0.00 C ATOM 279 O LYS A 25 2.517 4.891 -1.720 1.00 0.00 O ATOM 280 CB LYS A 25 0.982 7.541 -2.912 1.00 0.00 C ATOM 281 CG LYS A 25 -0.315 8.349 -2.837 1.00 0.00 C ATOM 282 CD LYS A 25 -0.227 9.546 -3.785 1.00 0.00 C ATOM 283 CE LYS A 25 -0.398 10.842 -2.990 1.00 0.00 C ATOM 284 NZ LYS A 25 -1.748 11.414 -3.257 1.00 0.00 N ATOM 0 H LYS A 25 3.211 6.821 -0.620 1.00 0.00 H new ATOM 0 HA LYS A 25 0.479 7.181 -0.853 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.804 8.181 -3.233 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.887 6.749 -3.655 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.164 7.720 -3.106 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.484 8.692 -1.816 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.734 9.546 -4.299 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.998 9.473 -4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.279 10.646 -1.924 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.374 11.558 -3.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.865 12.295 -2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.845 11.615 -4.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.478 10.731 -2.968 1.00 0.00 H new ATOM 298 N VAL A 26 0.330 4.719 -1.712 1.00 0.00 N ATOM 299 CA VAL A 26 0.407 3.239 -1.835 1.00 0.00 C ATOM 300 C VAL A 26 0.370 2.849 -3.313 1.00 0.00 C ATOM 301 O VAL A 26 -0.452 3.325 -4.071 1.00 0.00 O ATOM 302 CB VAL A 26 -0.779 2.604 -1.109 1.00 0.00 C ATOM 303 CG1 VAL A 26 -0.772 1.097 -1.349 1.00 0.00 C ATOM 304 CG2 VAL A 26 -0.663 2.872 0.392 1.00 0.00 C ATOM 0 H VAL A 26 -0.613 5.105 -1.671 1.00 0.00 H new ATOM 0 HA VAL A 26 1.336 2.885 -1.389 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.706 3.034 -1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.617 0.642 -0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.851 0.898 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.157 0.672 -0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.509 2.419 0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.265 2.441 0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.662 3.947 0.571 1.00 0.00 H new ATOM 314 N LEU A 27 1.255 1.986 -3.730 1.00 0.00 N ATOM 315 CA LEU A 27 1.272 1.569 -5.161 1.00 0.00 C ATOM 316 C LEU A 27 0.433 0.302 -5.335 1.00 0.00 C ATOM 317 O LEU A 27 -0.397 0.213 -6.218 1.00 0.00 O ATOM 318 CB LEU A 27 2.712 1.289 -5.595 1.00 0.00 C ATOM 319 CG LEU A 27 3.563 2.542 -5.381 1.00 0.00 C ATOM 320 CD1 LEU A 27 4.953 2.322 -5.980 1.00 0.00 C ATOM 321 CD2 LEU A 27 2.896 3.735 -6.068 1.00 0.00 C ATOM 0 H LEU A 27 1.967 1.552 -3.142 1.00 0.00 H new ATOM 0 HA LEU A 27 0.856 2.368 -5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.120 0.457 -5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.736 0.995 -6.644 1.00 0.00 H new ATOM 0 HG LEU A 27 3.654 2.741 -4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.560 3.214 -5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.429 1.472 -5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.862 2.123 -7.048 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.502 4.628 -5.916 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.805 3.536 -7.136 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.905 3.892 -5.643 1.00 0.00 H new ATOM 333 N ASP A 28 0.642 -0.680 -4.502 1.00 0.00 N ATOM 334 CA ASP A 28 -0.146 -1.939 -4.627 1.00 0.00 C ATOM 335 C ASP A 28 0.165 -2.860 -3.446 1.00 0.00 C ATOM 336 O ASP A 28 0.735 -2.447 -2.455 1.00 0.00 O ATOM 337 CB ASP A 28 0.225 -2.644 -5.934 1.00 0.00 C ATOM 338 CG ASP A 28 1.658 -3.168 -5.845 1.00 0.00 C ATOM 339 OD1 ASP A 28 2.550 -2.362 -5.633 1.00 0.00 O ATOM 340 OD2 ASP A 28 1.841 -4.366 -5.989 1.00 0.00 O ATOM 0 H ASP A 28 1.322 -0.666 -3.742 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.210 -1.701 -4.629 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.463 -3.468 -6.123 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.131 -1.952 -6.771 1.00 0.00 H new ATOM 345 N ARG A 29 -0.208 -4.107 -3.543 1.00 0.00 N ATOM 346 CA ARG A 29 0.064 -5.057 -2.428 1.00 0.00 C ATOM 347 C ARG A 29 -0.233 -6.484 -2.893 1.00 0.00 C ATOM 348 O ARG A 29 -0.668 -6.707 -4.006 1.00 0.00 O ATOM 349 CB ARG A 29 -0.831 -4.713 -1.236 1.00 0.00 C ATOM 350 CG ARG A 29 -2.286 -5.040 -1.577 1.00 0.00 C ATOM 351 CD ARG A 29 -2.695 -6.338 -0.879 1.00 0.00 C ATOM 352 NE ARG A 29 -4.172 -6.508 -0.971 1.00 0.00 N ATOM 353 CZ ARG A 29 -4.739 -7.570 -0.467 1.00 0.00 C ATOM 354 NH1 ARG A 29 -4.102 -8.708 -0.461 1.00 0.00 N ATOM 355 NH2 ARG A 29 -5.943 -7.493 0.031 1.00 0.00 N ATOM 0 H ARG A 29 -0.690 -4.509 -4.347 1.00 0.00 H new ATOM 0 HA ARG A 29 1.110 -4.981 -2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.517 -5.277 -0.358 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.734 -3.656 -0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.937 -4.224 -1.261 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.404 -5.142 -2.656 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.191 -7.187 -1.342 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.385 -6.315 0.166 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.740 -5.795 -1.428 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.161 -8.768 -0.850 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.545 -9.538 -0.067 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.441 -6.603 0.026 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.386 -8.323 0.425 1.00 0.00 H new ATOM 369 N ARG A 30 -0.002 -7.455 -2.051 1.00 0.00 N ATOM 370 CA ARG A 30 -0.273 -8.864 -2.449 1.00 0.00 C ATOM 371 C ARG A 30 0.044 -9.795 -1.277 1.00 0.00 C ATOM 372 O ARG A 30 0.493 -9.363 -0.234 1.00 0.00 O ATOM 373 CB ARG A 30 0.605 -9.235 -3.646 1.00 0.00 C ATOM 374 CG ARG A 30 2.065 -9.331 -3.197 1.00 0.00 C ATOM 375 CD ARG A 30 2.960 -9.569 -4.415 1.00 0.00 C ATOM 376 NE ARG A 30 4.363 -9.200 -4.079 1.00 0.00 N ATOM 377 CZ ARG A 30 5.262 -9.124 -5.022 1.00 0.00 C ATOM 378 NH1 ARG A 30 4.965 -8.559 -6.160 1.00 0.00 N ATOM 379 NH2 ARG A 30 6.455 -9.614 -4.828 1.00 0.00 N ATOM 0 H ARG A 30 0.362 -7.333 -1.106 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.323 -8.968 -2.723 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.280 -10.186 -4.068 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.503 -8.486 -4.431 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.361 -8.413 -2.689 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.183 -10.144 -2.481 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.910 -10.615 -4.718 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.609 -8.976 -5.259 1.00 0.00 H new ATOM 0 HE ARG A 30 4.621 -9.007 -3.111 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.031 -8.177 -6.312 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.667 -8.499 -6.898 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.686 -10.057 -3.939 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.157 -9.554 -5.566 1.00 0.00 H new ATOM 393 N VAL A 31 -0.185 -11.069 -1.441 1.00 0.00 N ATOM 394 CA VAL A 31 0.105 -12.024 -0.334 1.00 0.00 C ATOM 395 C VAL A 31 1.127 -13.059 -0.810 1.00 0.00 C ATOM 396 O VAL A 31 1.351 -13.233 -1.991 1.00 0.00 O ATOM 397 CB VAL A 31 -1.191 -12.729 0.084 1.00 0.00 C ATOM 398 CG1 VAL A 31 -0.866 -14.000 0.876 1.00 0.00 C ATOM 399 CG2 VAL A 31 -2.016 -11.788 0.963 1.00 0.00 C ATOM 0 H VAL A 31 -0.560 -11.489 -2.292 1.00 0.00 H new ATOM 0 HA VAL A 31 0.512 -11.482 0.520 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.756 -12.997 -0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.793 -14.494 1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.276 -14.674 0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.298 -13.737 1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.939 -12.285 1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.442 -11.523 1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.256 -10.884 0.403 1.00 0.00 H new ATOM 409 N VAL A 32 1.746 -13.748 0.107 1.00 0.00 N ATOM 410 CA VAL A 32 2.753 -14.774 -0.277 1.00 0.00 C ATOM 411 C VAL A 32 2.332 -16.125 0.299 1.00 0.00 C ATOM 412 O VAL A 32 2.561 -17.164 -0.287 1.00 0.00 O ATOM 413 CB VAL A 32 4.117 -14.382 0.292 1.00 0.00 C ATOM 414 CG1 VAL A 32 5.164 -15.415 -0.130 1.00 0.00 C ATOM 415 CG2 VAL A 32 4.516 -13.006 -0.244 1.00 0.00 C ATOM 0 H VAL A 32 1.597 -13.644 1.111 1.00 0.00 H new ATOM 0 HA VAL A 32 2.818 -14.840 -1.363 1.00 0.00 H new ATOM 0 HB VAL A 32 4.059 -14.347 1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.136 -15.135 0.276 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.881 -16.396 0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.222 -15.451 -1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.488 -12.726 0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.573 -13.042 -1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.772 -12.269 0.056 1.00 0.00 H new ATOM 425 N LYS A 33 1.721 -16.114 1.451 1.00 0.00 N ATOM 426 CA LYS A 33 1.284 -17.390 2.082 1.00 0.00 C ATOM 427 C LYS A 33 0.863 -17.116 3.527 1.00 0.00 C ATOM 428 O LYS A 33 1.083 -17.921 4.411 1.00 0.00 O ATOM 429 CB LYS A 33 2.444 -18.385 2.071 1.00 0.00 C ATOM 430 CG LYS A 33 3.724 -17.675 2.514 1.00 0.00 C ATOM 431 CD LYS A 33 4.919 -18.613 2.328 1.00 0.00 C ATOM 432 CE LYS A 33 5.809 -18.554 3.571 1.00 0.00 C ATOM 433 NZ LYS A 33 6.609 -17.297 3.550 1.00 0.00 N ATOM 0 H LYS A 33 1.505 -15.272 1.985 1.00 0.00 H new ATOM 0 HA LYS A 33 0.444 -17.806 1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.228 -19.220 2.738 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.572 -18.800 1.071 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.868 -16.765 1.931 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.643 -17.375 3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.572 -19.633 2.163 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.489 -18.323 1.445 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.197 -18.593 4.472 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.472 -19.419 3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.214 -17.256 4.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.204 -17.278 2.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.968 -16.478 3.544 1.00 0.00 H new ATOM 447 N GLY A 34 0.263 -15.984 3.774 1.00 0.00 N ATOM 448 CA GLY A 34 -0.166 -15.655 5.161 1.00 0.00 C ATOM 449 C GLY A 34 0.398 -14.289 5.555 1.00 0.00 C ATOM 450 O GLY A 34 -0.075 -13.654 6.476 1.00 0.00 O ATOM 0 H GLY A 34 0.052 -15.273 3.074 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.254 -15.644 5.224 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.186 -16.420 5.854 1.00 0.00 H new ATOM 454 N LYS A 35 1.407 -13.830 4.864 1.00 0.00 N ATOM 455 CA LYS A 35 1.998 -12.504 5.200 1.00 0.00 C ATOM 456 C LYS A 35 1.558 -11.473 4.159 1.00 0.00 C ATOM 457 O LYS A 35 2.132 -11.370 3.093 1.00 0.00 O ATOM 458 CB LYS A 35 3.524 -12.610 5.201 1.00 0.00 C ATOM 459 CG LYS A 35 3.980 -13.422 6.416 1.00 0.00 C ATOM 460 CD LYS A 35 3.714 -12.623 7.693 1.00 0.00 C ATOM 461 CE LYS A 35 4.967 -12.630 8.570 1.00 0.00 C ATOM 462 NZ LYS A 35 5.720 -11.360 8.371 1.00 0.00 N ATOM 0 H LYS A 35 1.847 -14.316 4.082 1.00 0.00 H new ATOM 0 HA LYS A 35 1.656 -12.193 6.187 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.866 -13.087 4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.968 -11.615 5.228 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.448 -14.373 6.452 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.042 -13.654 6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.438 -11.599 7.443 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.874 -13.055 8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.689 -12.740 9.618 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.597 -13.482 8.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.572 -11.365 8.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.997 -11.273 7.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.117 -10.554 8.634 1.00 0.00 H new ATOM 476 N VAL A 36 0.542 -10.711 4.458 1.00 0.00 N ATOM 477 CA VAL A 36 0.065 -9.688 3.485 1.00 0.00 C ATOM 478 C VAL A 36 1.083 -8.550 3.396 1.00 0.00 C ATOM 479 O VAL A 36 1.268 -7.794 4.329 1.00 0.00 O ATOM 480 CB VAL A 36 -1.281 -9.130 3.950 1.00 0.00 C ATOM 481 CG1 VAL A 36 -1.687 -7.961 3.052 1.00 0.00 C ATOM 482 CG2 VAL A 36 -2.344 -10.228 3.867 1.00 0.00 C ATOM 0 H VAL A 36 0.021 -10.753 5.334 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.050 -10.149 2.504 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.194 -8.784 4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.646 -7.564 3.384 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.931 -7.178 3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.774 -8.307 2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.304 -9.831 4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.430 -10.574 2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.056 -11.062 4.507 1.00 0.00 H new ATOM 492 N GLU A 37 1.746 -8.421 2.279 1.00 0.00 N ATOM 493 CA GLU A 37 2.751 -7.331 2.130 1.00 0.00 C ATOM 494 C GLU A 37 2.096 -6.124 1.453 1.00 0.00 C ATOM 495 O GLU A 37 0.963 -6.185 1.018 1.00 0.00 O ATOM 496 CB GLU A 37 3.919 -7.826 1.273 1.00 0.00 C ATOM 497 CG GLU A 37 4.916 -8.582 2.153 1.00 0.00 C ATOM 498 CD GLU A 37 4.368 -9.977 2.462 1.00 0.00 C ATOM 499 OE1 GLU A 37 4.007 -10.671 1.526 1.00 0.00 O ATOM 500 OE2 GLU A 37 4.320 -10.328 3.630 1.00 0.00 O ATOM 0 H GLU A 37 1.635 -9.023 1.463 1.00 0.00 H new ATOM 0 HA GLU A 37 3.121 -7.040 3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.551 -8.477 0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.412 -6.982 0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.878 -8.661 1.646 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.088 -8.034 3.079 1.00 0.00 H new ATOM 507 N TYR A 38 2.800 -5.028 1.360 1.00 0.00 N ATOM 508 CA TYR A 38 2.214 -3.821 0.712 1.00 0.00 C ATOM 509 C TYR A 38 3.332 -2.980 0.092 1.00 0.00 C ATOM 510 O TYR A 38 4.216 -2.505 0.776 1.00 0.00 O ATOM 511 CB TYR A 38 1.472 -2.989 1.761 1.00 0.00 C ATOM 512 CG TYR A 38 -0.011 -3.252 1.653 1.00 0.00 C ATOM 513 CD1 TYR A 38 -0.552 -4.439 2.165 1.00 0.00 C ATOM 514 CD2 TYR A 38 -0.847 -2.309 1.040 1.00 0.00 C ATOM 515 CE1 TYR A 38 -1.928 -4.683 2.065 1.00 0.00 C ATOM 516 CE2 TYR A 38 -2.223 -2.553 0.939 1.00 0.00 C ATOM 517 CZ TYR A 38 -2.764 -3.740 1.452 1.00 0.00 C ATOM 518 OH TYR A 38 -4.119 -3.980 1.353 1.00 0.00 O ATOM 0 H TYR A 38 3.754 -4.917 1.704 1.00 0.00 H new ATOM 0 HA TYR A 38 1.517 -4.130 -0.067 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.826 -3.244 2.760 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.676 -1.929 1.611 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.092 -5.166 2.637 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.431 -1.394 0.645 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.344 -5.598 2.460 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.867 -1.826 0.466 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.553 -3.226 0.902 1.00 0.00 H new ATOM 528 N LEU A 39 3.298 -2.790 -1.198 1.00 0.00 N ATOM 529 CA LEU A 39 4.357 -1.977 -1.860 1.00 0.00 C ATOM 530 C LEU A 39 4.071 -0.492 -1.637 1.00 0.00 C ATOM 531 O LEU A 39 3.210 0.087 -2.272 1.00 0.00 O ATOM 532 CB LEU A 39 4.367 -2.277 -3.361 1.00 0.00 C ATOM 533 CG LEU A 39 5.731 -1.906 -3.946 1.00 0.00 C ATOM 534 CD1 LEU A 39 6.749 -2.991 -3.597 1.00 0.00 C ATOM 535 CD2 LEU A 39 5.616 -1.787 -5.468 1.00 0.00 C ATOM 0 H LEU A 39 2.583 -3.163 -1.823 1.00 0.00 H new ATOM 0 HA LEU A 39 5.329 -2.228 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.161 -3.333 -3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.579 -1.713 -3.861 1.00 0.00 H new ATOM 0 HG LEU A 39 6.058 -0.954 -3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.721 -2.726 -4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.831 -3.078 -2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.423 -3.944 -4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.587 -1.523 -5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.289 -2.740 -5.884 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.890 -1.013 -5.719 1.00 0.00 H new ATOM 547 N LEU A 40 4.786 0.131 -0.739 1.00 0.00 N ATOM 548 CA LEU A 40 4.554 1.578 -0.475 1.00 0.00 C ATOM 549 C LEU A 40 5.517 2.413 -1.322 1.00 0.00 C ATOM 550 O LEU A 40 6.544 1.936 -1.764 1.00 0.00 O ATOM 551 CB LEU A 40 4.798 1.870 1.007 1.00 0.00 C ATOM 552 CG LEU A 40 3.464 1.868 1.756 1.00 0.00 C ATOM 553 CD1 LEU A 40 2.656 3.106 1.365 1.00 0.00 C ATOM 554 CD2 LEU A 40 2.676 0.609 1.387 1.00 0.00 C ATOM 0 H LEU A 40 5.520 -0.301 -0.178 1.00 0.00 H new ATOM 0 HA LEU A 40 3.527 1.834 -0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.466 1.120 1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.290 2.836 1.122 1.00 0.00 H new ATOM 0 HG LEU A 40 3.651 1.881 2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.706 3.104 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.217 4.004 1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.469 3.094 0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.725 0.606 1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.490 0.598 0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.251 -0.274 1.665 1.00 0.00 H new ATOM 566 N LYS A 41 5.193 3.656 -1.552 1.00 0.00 N ATOM 567 CA LYS A 41 6.091 4.520 -2.370 1.00 0.00 C ATOM 568 C LYS A 41 6.779 5.541 -1.462 1.00 0.00 C ATOM 569 O LYS A 41 6.243 6.595 -1.180 1.00 0.00 O ATOM 570 CB LYS A 41 5.269 5.252 -3.431 1.00 0.00 C ATOM 571 CG LYS A 41 6.081 5.362 -4.722 1.00 0.00 C ATOM 572 CD LYS A 41 6.068 6.811 -5.212 1.00 0.00 C ATOM 573 CE LYS A 41 5.347 6.889 -6.559 1.00 0.00 C ATOM 574 NZ LYS A 41 4.003 7.505 -6.368 1.00 0.00 N ATOM 0 H LYS A 41 4.346 4.110 -1.209 1.00 0.00 H new ATOM 0 HA LYS A 41 6.844 3.902 -2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.339 4.716 -3.619 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.998 6.246 -3.074 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.106 5.035 -4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.662 4.705 -5.485 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.568 7.448 -4.483 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.088 7.181 -5.312 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.933 7.480 -7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.244 5.892 -6.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.512 7.558 -7.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.445 6.924 -5.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.112 8.463 -5.978 1.00 0.00 H new ATOM 588 N TRP A 42 7.962 5.239 -1.002 1.00 0.00 N ATOM 589 CA TRP A 42 8.682 6.192 -0.111 1.00 0.00 C ATOM 590 C TRP A 42 9.255 7.338 -0.947 1.00 0.00 C ATOM 591 O TRP A 42 9.731 7.140 -2.047 1.00 0.00 O ATOM 592 CB TRP A 42 9.821 5.462 0.602 1.00 0.00 C ATOM 593 CG TRP A 42 9.273 4.276 1.328 1.00 0.00 C ATOM 594 CD1 TRP A 42 9.266 3.008 0.853 1.00 0.00 C ATOM 595 CD2 TRP A 42 8.653 4.223 2.646 1.00 0.00 C ATOM 596 NE1 TRP A 42 8.681 2.180 1.795 1.00 0.00 N ATOM 597 CE2 TRP A 42 8.288 2.882 2.917 1.00 0.00 C ATOM 598 CE3 TRP A 42 8.375 5.198 3.621 1.00 0.00 C ATOM 599 CZ2 TRP A 42 7.667 2.523 4.115 1.00 0.00 C ATOM 600 CZ3 TRP A 42 7.752 4.840 4.829 1.00 0.00 C ATOM 601 CH2 TRP A 42 7.398 3.505 5.075 1.00 0.00 C ATOM 0 H TRP A 42 8.461 4.373 -1.205 1.00 0.00 H new ATOM 0 HA TRP A 42 7.989 6.593 0.628 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.573 5.144 -0.121 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.316 6.134 1.303 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.654 2.694 -0.105 1.00 0.00 H new ATOM 0 HE1 TRP A 42 8.556 1.175 1.675 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.642 6.229 3.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.396 1.494 4.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.545 5.596 5.572 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.918 3.235 6.004 1.00 0.00 H new ATOM 612 N LYS A 43 9.215 8.537 -0.433 1.00 0.00 N ATOM 613 CA LYS A 43 9.759 9.695 -1.198 1.00 0.00 C ATOM 614 C LYS A 43 11.159 10.035 -0.682 1.00 0.00 C ATOM 615 O LYS A 43 11.472 9.830 0.474 1.00 0.00 O ATOM 616 CB LYS A 43 8.840 10.904 -1.014 1.00 0.00 C ATOM 617 CG LYS A 43 8.746 11.254 0.472 1.00 0.00 C ATOM 618 CD LYS A 43 9.056 12.739 0.668 1.00 0.00 C ATOM 619 CE LYS A 43 7.943 13.388 1.492 1.00 0.00 C ATOM 620 NZ LYS A 43 8.301 14.807 1.778 1.00 0.00 N ATOM 0 H LYS A 43 8.829 8.765 0.483 1.00 0.00 H new ATOM 0 HA LYS A 43 9.814 9.438 -2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.225 11.755 -1.575 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.849 10.684 -1.410 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.748 11.028 0.847 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.447 10.647 1.044 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.014 12.858 1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.143 13.234 -0.299 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.999 13.342 0.949 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.801 12.842 2.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.545 15.250 2.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.192 14.839 2.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.416 15.323 0.883 1.00 0.00 H new ATOM 634 N GLY A 44 12.003 10.556 -1.531 1.00 0.00 N ATOM 635 CA GLY A 44 13.381 10.910 -1.089 1.00 0.00 C ATOM 636 C GLY A 44 14.331 9.750 -1.390 1.00 0.00 C ATOM 637 O GLY A 44 15.535 9.910 -1.408 1.00 0.00 O ATOM 0 H GLY A 44 11.797 10.751 -2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.718 11.811 -1.601 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.386 11.130 -0.021 1.00 0.00 H new ATOM 641 N PHE A 45 13.800 8.582 -1.629 1.00 0.00 N ATOM 642 CA PHE A 45 14.675 7.413 -1.929 1.00 0.00 C ATOM 643 C PHE A 45 14.469 6.981 -3.382 1.00 0.00 C ATOM 644 O PHE A 45 13.612 6.174 -3.684 1.00 0.00 O ATOM 645 CB PHE A 45 14.317 6.254 -0.997 1.00 0.00 C ATOM 646 CG PHE A 45 15.382 6.116 0.064 1.00 0.00 C ATOM 647 CD1 PHE A 45 16.080 7.247 0.508 1.00 0.00 C ATOM 648 CD2 PHE A 45 15.673 4.856 0.605 1.00 0.00 C ATOM 649 CE1 PHE A 45 17.069 7.118 1.492 1.00 0.00 C ATOM 650 CE2 PHE A 45 16.661 4.727 1.590 1.00 0.00 C ATOM 651 CZ PHE A 45 17.359 5.859 2.034 1.00 0.00 C ATOM 0 H PHE A 45 12.799 8.387 -1.630 1.00 0.00 H new ATOM 0 HA PHE A 45 15.718 7.692 -1.777 1.00 0.00 H new ATOM 0 HB2 PHE A 45 13.347 6.432 -0.533 1.00 0.00 H new ATOM 0 HB3 PHE A 45 14.233 5.328 -1.566 1.00 0.00 H new ATOM 0 HD1 PHE A 45 15.856 8.218 0.092 1.00 0.00 H new ATOM 0 HD2 PHE A 45 15.135 3.984 0.262 1.00 0.00 H new ATOM 0 HE1 PHE A 45 17.608 7.990 1.833 1.00 0.00 H new ATOM 0 HE2 PHE A 45 16.885 3.756 2.007 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.120 5.760 2.794 1.00 0.00 H new ATOM 661 N SER A 46 15.247 7.511 -4.286 1.00 0.00 N ATOM 662 CA SER A 46 15.096 7.129 -5.718 1.00 0.00 C ATOM 663 C SER A 46 13.752 7.638 -6.245 1.00 0.00 C ATOM 664 O SER A 46 13.342 7.313 -7.341 1.00 0.00 O ATOM 665 CB SER A 46 15.150 5.607 -5.847 1.00 0.00 C ATOM 666 OG SER A 46 13.828 5.087 -5.824 1.00 0.00 O ATOM 0 H SER A 46 15.981 8.193 -4.094 1.00 0.00 H new ATOM 0 HA SER A 46 15.905 7.573 -6.299 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.647 5.327 -6.776 1.00 0.00 H new ATOM 0 HB3 SER A 46 15.735 5.182 -5.031 1.00 0.00 H new ATOM 0 HG SER A 46 13.456 5.179 -4.922 1.00 0.00 H new ATOM 672 N ASP A 47 13.063 8.434 -5.473 1.00 0.00 N ATOM 673 CA ASP A 47 11.748 8.961 -5.933 1.00 0.00 C ATOM 674 C ASP A 47 10.770 7.800 -6.118 1.00 0.00 C ATOM 675 O ASP A 47 9.717 7.950 -6.706 1.00 0.00 O ATOM 676 CB ASP A 47 11.927 9.694 -7.264 1.00 0.00 C ATOM 677 CG ASP A 47 12.956 10.814 -7.096 1.00 0.00 C ATOM 678 OD1 ASP A 47 14.054 10.521 -6.653 1.00 0.00 O ATOM 679 OD2 ASP A 47 12.628 11.945 -7.414 1.00 0.00 O ATOM 0 H ASP A 47 13.354 8.741 -4.545 1.00 0.00 H new ATOM 0 HA ASP A 47 11.355 9.653 -5.188 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.256 8.996 -8.034 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.974 10.108 -7.594 1.00 0.00 H new ATOM 684 N GLU A 48 11.108 6.642 -5.621 1.00 0.00 N ATOM 685 CA GLU A 48 10.198 5.473 -5.768 1.00 0.00 C ATOM 686 C GLU A 48 10.873 4.227 -5.191 1.00 0.00 C ATOM 687 O GLU A 48 11.290 3.344 -5.914 1.00 0.00 O ATOM 688 CB GLU A 48 9.891 5.248 -7.250 1.00 0.00 C ATOM 689 CG GLU A 48 11.195 5.275 -8.052 1.00 0.00 C ATOM 690 CD GLU A 48 10.998 6.112 -9.317 1.00 0.00 C ATOM 691 OE1 GLU A 48 9.983 5.933 -9.971 1.00 0.00 O ATOM 692 OE2 GLU A 48 11.865 6.918 -9.611 1.00 0.00 O ATOM 0 H GLU A 48 11.976 6.455 -5.119 1.00 0.00 H new ATOM 0 HA GLU A 48 9.269 5.665 -5.231 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.387 4.291 -7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.212 6.020 -7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.998 5.695 -7.447 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.493 4.260 -8.317 1.00 0.00 H new ATOM 699 N ASP A 49 10.984 4.150 -3.894 1.00 0.00 N ATOM 700 CA ASP A 49 11.634 2.961 -3.271 1.00 0.00 C ATOM 701 C ASP A 49 10.565 1.918 -2.941 1.00 0.00 C ATOM 702 O ASP A 49 10.415 1.506 -1.808 1.00 0.00 O ATOM 703 CB ASP A 49 12.350 3.384 -1.987 1.00 0.00 C ATOM 704 CG ASP A 49 13.552 2.469 -1.748 1.00 0.00 C ATOM 705 OD1 ASP A 49 14.114 1.995 -2.722 1.00 0.00 O ATOM 706 OD2 ASP A 49 13.891 2.259 -0.595 1.00 0.00 O ATOM 0 H ASP A 49 10.653 4.858 -3.238 1.00 0.00 H new ATOM 0 HA ASP A 49 12.359 2.535 -3.964 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.678 4.420 -2.066 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.665 3.330 -1.141 1.00 0.00 H new ATOM 711 N ASN A 50 9.822 1.488 -3.924 1.00 0.00 N ATOM 712 CA ASN A 50 8.761 0.472 -3.673 1.00 0.00 C ATOM 713 C ASN A 50 9.299 -0.612 -2.737 1.00 0.00 C ATOM 714 O ASN A 50 10.061 -1.470 -3.138 1.00 0.00 O ATOM 715 CB ASN A 50 8.342 -0.163 -5.000 1.00 0.00 C ATOM 716 CG ASN A 50 9.587 -0.471 -5.835 1.00 0.00 C ATOM 717 OD1 ASN A 50 10.684 -0.516 -5.316 1.00 0.00 O ATOM 718 ND2 ASN A 50 9.463 -0.684 -7.116 1.00 0.00 N ATOM 0 H ASN A 50 9.904 1.797 -4.892 1.00 0.00 H new ATOM 0 HA ASN A 50 7.900 0.954 -3.210 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.779 -1.078 -4.816 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.683 0.512 -5.546 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.287 -0.888 -7.681 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.542 -0.646 -7.552 1.00 0.00 H new ATOM 725 N THR A 51 8.909 -0.580 -1.491 1.00 0.00 N ATOM 726 CA THR A 51 9.397 -1.610 -0.530 1.00 0.00 C ATOM 727 C THR A 51 8.206 -2.393 0.024 1.00 0.00 C ATOM 728 O THR A 51 7.292 -1.831 0.596 1.00 0.00 O ATOM 729 CB THR A 51 10.137 -0.924 0.621 1.00 0.00 C ATOM 730 OG1 THR A 51 10.252 0.466 0.346 1.00 0.00 O ATOM 731 CG2 THR A 51 11.531 -1.534 0.769 1.00 0.00 C ATOM 0 H THR A 51 8.274 0.115 -1.098 1.00 0.00 H new ATOM 0 HA THR A 51 10.075 -2.293 -1.042 1.00 0.00 H new ATOM 0 HB THR A 51 9.581 -1.067 1.548 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.772 0.595 -0.474 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.057 -1.045 1.589 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.441 -2.600 0.980 1.00 0.00 H new ATOM 0 HG23 THR A 51 12.090 -1.393 -0.156 1.00 0.00 H new ATOM 739 N TRP A 52 8.207 -3.687 -0.141 1.00 0.00 N ATOM 740 CA TRP A 52 7.073 -4.505 0.377 1.00 0.00 C ATOM 741 C TRP A 52 7.162 -4.594 1.901 1.00 0.00 C ATOM 742 O TRP A 52 8.122 -5.098 2.448 1.00 0.00 O ATOM 743 CB TRP A 52 7.143 -5.910 -0.223 1.00 0.00 C ATOM 744 CG TRP A 52 6.955 -5.829 -1.704 1.00 0.00 C ATOM 745 CD1 TRP A 52 7.944 -5.618 -2.604 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.724 -5.952 -2.475 1.00 0.00 C ATOM 747 NE1 TRP A 52 7.398 -5.605 -3.872 1.00 0.00 N ATOM 748 CE2 TRP A 52 6.040 -5.805 -3.844 1.00 0.00 C ATOM 749 CE3 TRP A 52 4.378 -6.174 -2.124 1.00 0.00 C ATOM 750 CZ2 TRP A 52 5.067 -5.873 -4.831 1.00 0.00 C ATOM 751 CZ3 TRP A 52 3.387 -6.245 -3.120 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.733 -6.095 -4.473 1.00 0.00 C ATOM 0 H TRP A 52 8.943 -4.213 -0.612 1.00 0.00 H new ATOM 0 HA TRP A 52 6.129 -4.037 0.097 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.105 -6.368 0.008 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.374 -6.544 0.218 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.989 -5.482 -2.369 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.938 -5.464 -4.726 1.00 0.00 H new ATOM 0 HE3 TRP A 52 4.106 -6.290 -1.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.338 -5.755 -5.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.357 -6.415 -2.843 1.00 0.00 H new ATOM 0 HH2 TRP A 52 2.970 -6.151 -5.236 1.00 0.00 H new ATOM 763 N GLU A 53 6.167 -4.109 2.592 1.00 0.00 N ATOM 764 CA GLU A 53 6.193 -4.166 4.080 1.00 0.00 C ATOM 765 C GLU A 53 4.930 -4.869 4.586 1.00 0.00 C ATOM 766 O GLU A 53 4.023 -5.133 3.823 1.00 0.00 O ATOM 767 CB GLU A 53 6.247 -2.744 4.644 1.00 0.00 C ATOM 768 CG GLU A 53 7.604 -2.511 5.312 1.00 0.00 C ATOM 769 CD GLU A 53 7.484 -1.374 6.328 1.00 0.00 C ATOM 770 OE1 GLU A 53 7.115 -0.283 5.927 1.00 0.00 O ATOM 771 OE2 GLU A 53 7.764 -1.614 7.492 1.00 0.00 O ATOM 0 H GLU A 53 5.336 -3.675 2.189 1.00 0.00 H new ATOM 0 HA GLU A 53 7.073 -4.720 4.407 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.094 -2.018 3.845 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.444 -2.597 5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.938 -3.422 5.808 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.354 -2.264 4.560 1.00 0.00 H new ATOM 778 N PRO A 54 4.912 -5.149 5.865 1.00 0.00 N ATOM 779 CA PRO A 54 3.776 -5.823 6.514 1.00 0.00 C ATOM 780 C PRO A 54 2.635 -4.831 6.755 1.00 0.00 C ATOM 781 O PRO A 54 2.825 -3.780 7.335 1.00 0.00 O ATOM 782 CB PRO A 54 4.361 -6.317 7.839 1.00 0.00 C ATOM 783 CG PRO A 54 5.596 -5.430 8.127 1.00 0.00 C ATOM 784 CD PRO A 54 6.025 -4.821 6.779 1.00 0.00 C ATOM 0 HA PRO A 54 3.355 -6.630 5.914 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.628 -6.235 8.642 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.644 -7.367 7.771 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.352 -4.647 8.845 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.404 -6.020 8.560 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.172 -3.744 6.857 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.966 -5.247 6.430 1.00 0.00 H new ATOM 792 N GLU A 55 1.450 -5.155 6.313 1.00 0.00 N ATOM 793 CA GLU A 55 0.300 -4.230 6.517 1.00 0.00 C ATOM 794 C GLU A 55 -0.260 -4.413 7.929 1.00 0.00 C ATOM 795 O GLU A 55 -0.956 -3.562 8.446 1.00 0.00 O ATOM 796 CB GLU A 55 -0.792 -4.540 5.491 1.00 0.00 C ATOM 797 CG GLU A 55 -1.292 -5.972 5.692 1.00 0.00 C ATOM 798 CD GLU A 55 -2.773 -6.053 5.318 1.00 0.00 C ATOM 799 OE1 GLU A 55 -3.209 -5.236 4.523 1.00 0.00 O ATOM 800 OE2 GLU A 55 -3.446 -6.930 5.833 1.00 0.00 O ATOM 0 H GLU A 55 1.229 -6.020 5.820 1.00 0.00 H new ATOM 0 HA GLU A 55 0.636 -3.201 6.391 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.618 -3.837 5.600 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.401 -4.419 4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.713 -6.660 5.077 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.151 -6.275 6.729 1.00 0.00 H new ATOM 807 N GLU A 56 0.039 -5.517 8.558 1.00 0.00 N ATOM 808 CA GLU A 56 -0.477 -5.749 9.936 1.00 0.00 C ATOM 809 C GLU A 56 0.333 -4.915 10.931 1.00 0.00 C ATOM 810 O GLU A 56 0.089 -4.943 12.121 1.00 0.00 O ATOM 811 CB GLU A 56 -0.343 -7.233 10.286 1.00 0.00 C ATOM 812 CG GLU A 56 -1.719 -7.898 10.226 1.00 0.00 C ATOM 813 CD GLU A 56 -2.210 -8.182 11.647 1.00 0.00 C ATOM 814 OE1 GLU A 56 -1.827 -7.449 12.543 1.00 0.00 O ATOM 815 OE2 GLU A 56 -2.963 -9.127 11.814 1.00 0.00 O ATOM 0 H GLU A 56 0.617 -6.266 8.178 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.526 -5.456 9.986 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.339 -7.721 9.590 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.084 -7.345 11.283 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.426 -7.250 9.708 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.662 -8.826 9.657 1.00 0.00 H new ATOM 822 N ASN A 57 1.294 -4.172 10.455 1.00 0.00 N ATOM 823 CA ASN A 57 2.116 -3.337 11.375 1.00 0.00 C ATOM 824 C ASN A 57 2.101 -1.886 10.890 1.00 0.00 C ATOM 825 O ASN A 57 2.171 -0.959 11.673 1.00 0.00 O ATOM 826 CB ASN A 57 3.554 -3.858 11.387 1.00 0.00 C ATOM 827 CG ASN A 57 3.623 -5.147 12.209 1.00 0.00 C ATOM 828 OD1 ASN A 57 2.844 -5.342 13.120 1.00 0.00 O ATOM 829 ND2 ASN A 57 4.529 -6.041 11.923 1.00 0.00 N ATOM 0 H ASN A 57 1.545 -4.107 9.469 1.00 0.00 H new ATOM 0 HA ASN A 57 1.704 -3.388 12.383 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.893 -4.045 10.368 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.221 -3.107 11.812 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.583 -6.904 12.465 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.183 -5.877 11.158 1.00 0.00 H new ATOM 836 N LEU A 58 2.006 -1.682 9.605 1.00 0.00 N ATOM 837 CA LEU A 58 1.981 -0.294 9.069 1.00 0.00 C ATOM 838 C LEU A 58 0.823 0.476 9.704 1.00 0.00 C ATOM 839 O LEU A 58 -0.252 -0.054 9.905 1.00 0.00 O ATOM 840 CB LEU A 58 1.793 -0.342 7.552 1.00 0.00 C ATOM 841 CG LEU A 58 3.106 0.025 6.861 1.00 0.00 C ATOM 842 CD1 LEU A 58 3.097 -0.511 5.428 1.00 0.00 C ATOM 843 CD2 LEU A 58 3.259 1.547 6.834 1.00 0.00 C ATOM 0 H LEU A 58 1.945 -2.419 8.902 1.00 0.00 H new ATOM 0 HA LEU A 58 2.920 0.207 9.304 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.476 -1.339 7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.006 0.350 7.251 1.00 0.00 H new ATOM 0 HG LEU A 58 3.939 -0.416 7.408 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.034 -0.249 4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.987 -1.595 5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.264 -0.071 4.880 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.195 1.810 6.341 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.425 1.987 6.287 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.266 1.930 7.854 1.00 0.00 H new ATOM 855 N ASP A 59 1.032 1.725 10.023 1.00 0.00 N ATOM 856 CA ASP A 59 -0.059 2.527 10.646 1.00 0.00 C ATOM 857 C ASP A 59 -0.607 3.524 9.624 1.00 0.00 C ATOM 858 O ASP A 59 -0.452 4.720 9.765 1.00 0.00 O ATOM 859 CB ASP A 59 0.492 3.286 11.855 1.00 0.00 C ATOM 860 CG ASP A 59 -0.663 3.926 12.626 1.00 0.00 C ATOM 861 OD1 ASP A 59 -1.629 4.316 11.991 1.00 0.00 O ATOM 862 OD2 ASP A 59 -0.563 4.014 13.839 1.00 0.00 O ATOM 0 H ASP A 59 1.910 2.224 9.879 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.860 1.862 10.969 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.044 2.606 12.504 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.194 4.053 11.527 1.00 0.00 H new ATOM 867 N CYS A 60 -1.247 3.041 8.594 1.00 0.00 N ATOM 868 CA CYS A 60 -1.806 3.961 7.564 1.00 0.00 C ATOM 869 C CYS A 60 -3.112 3.381 7.015 1.00 0.00 C ATOM 870 O CYS A 60 -3.124 2.765 5.968 1.00 0.00 O ATOM 871 CB CYS A 60 -0.799 4.120 6.422 1.00 0.00 C ATOM 872 SG CYS A 60 0.165 5.631 6.673 1.00 0.00 S ATOM 0 H CYS A 60 -1.407 2.048 8.422 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.002 4.934 8.015 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.136 3.255 6.384 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.321 4.164 5.466 1.00 0.00 H new ATOM 0 HG CYS A 60 0.293 5.857 7.947 1.00 0.00 H new ATOM 878 N PRO A 61 -4.178 3.597 7.745 1.00 0.00 N ATOM 879 CA PRO A 61 -5.514 3.109 7.364 1.00 0.00 C ATOM 880 C PRO A 61 -6.122 4.003 6.279 1.00 0.00 C ATOM 881 O PRO A 61 -7.242 3.801 5.852 1.00 0.00 O ATOM 882 CB PRO A 61 -6.315 3.206 8.665 1.00 0.00 C ATOM 883 CG PRO A 61 -5.591 4.252 9.546 1.00 0.00 C ATOM 884 CD PRO A 61 -4.146 4.349 9.015 1.00 0.00 C ATOM 0 HA PRO A 61 -5.501 2.100 6.951 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.343 3.510 8.467 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.360 2.239 9.167 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.091 5.219 9.489 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.600 3.950 10.593 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.848 5.386 8.857 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.433 3.916 9.717 1.00 0.00 H new ATOM 892 N ASP A 62 -5.392 4.985 5.827 1.00 0.00 N ATOM 893 CA ASP A 62 -5.928 5.884 4.770 1.00 0.00 C ATOM 894 C ASP A 62 -5.652 5.260 3.405 1.00 0.00 C ATOM 895 O ASP A 62 -6.550 5.049 2.613 1.00 0.00 O ATOM 896 CB ASP A 62 -5.239 7.248 4.860 1.00 0.00 C ATOM 897 CG ASP A 62 -6.216 8.345 4.432 1.00 0.00 C ATOM 898 OD1 ASP A 62 -7.387 8.041 4.280 1.00 0.00 O ATOM 899 OD2 ASP A 62 -5.775 9.469 4.264 1.00 0.00 O ATOM 0 H ASP A 62 -4.448 5.203 6.145 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.001 6.016 4.905 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.898 7.428 5.880 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.356 7.264 4.221 1.00 0.00 H new ATOM 904 N LEU A 63 -4.416 4.953 3.126 1.00 0.00 N ATOM 905 CA LEU A 63 -4.089 4.333 1.817 1.00 0.00 C ATOM 906 C LEU A 63 -4.355 2.832 1.898 1.00 0.00 C ATOM 907 O LEU A 63 -4.516 2.164 0.897 1.00 0.00 O ATOM 908 CB LEU A 63 -2.617 4.580 1.486 1.00 0.00 C ATOM 909 CG LEU A 63 -2.262 6.035 1.792 1.00 0.00 C ATOM 910 CD1 LEU A 63 -1.470 6.106 3.100 1.00 0.00 C ATOM 911 CD2 LEU A 63 -1.413 6.601 0.653 1.00 0.00 C ATOM 0 H LEU A 63 -3.622 5.105 3.748 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.708 4.773 1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.985 3.910 2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.428 4.362 0.435 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.178 6.618 1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.218 7.144 3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.073 5.702 3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.554 5.523 3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.159 7.639 0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.498 6.016 0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.976 6.552 -0.279 1.00 0.00 H new ATOM 923 N ILE A 64 -4.409 2.298 3.087 1.00 0.00 N ATOM 924 CA ILE A 64 -4.674 0.842 3.236 1.00 0.00 C ATOM 925 C ILE A 64 -6.155 0.576 2.963 1.00 0.00 C ATOM 926 O ILE A 64 -6.515 -0.394 2.327 1.00 0.00 O ATOM 927 CB ILE A 64 -4.330 0.403 4.662 1.00 0.00 C ATOM 928 CG1 ILE A 64 -2.811 0.442 4.855 1.00 0.00 C ATOM 929 CG2 ILE A 64 -4.838 -1.020 4.895 1.00 0.00 C ATOM 930 CD1 ILE A 64 -2.167 -0.719 4.094 1.00 0.00 C ATOM 0 H ILE A 64 -4.281 2.808 3.961 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.062 0.281 2.530 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.804 1.078 5.374 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.413 1.391 4.496 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.567 0.375 5.915 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.593 -1.332 5.910 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.919 -1.047 4.758 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.365 -1.696 4.183 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.086 -0.690 4.232 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.556 -1.664 4.474 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.399 -0.632 3.033 1.00 0.00 H new ATOM 942 N ALA A 65 -7.016 1.437 3.437 1.00 0.00 N ATOM 943 CA ALA A 65 -8.474 1.241 3.203 1.00 0.00 C ATOM 944 C ALA A 65 -8.918 2.087 2.008 1.00 0.00 C ATOM 945 O ALA A 65 -10.080 2.114 1.653 1.00 0.00 O ATOM 946 CB ALA A 65 -9.251 1.672 4.449 1.00 0.00 C ATOM 0 H ALA A 65 -6.771 2.268 3.976 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.671 0.189 2.996 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.318 1.529 4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.935 1.070 5.301 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.054 2.724 4.655 1.00 0.00 H new ATOM 952 N GLU A 66 -8.004 2.776 1.379 1.00 0.00 N ATOM 953 CA GLU A 66 -8.380 3.614 0.205 1.00 0.00 C ATOM 954 C GLU A 66 -7.972 2.892 -1.078 1.00 0.00 C ATOM 955 O GLU A 66 -8.708 2.857 -2.044 1.00 0.00 O ATOM 956 CB GLU A 66 -7.658 4.961 0.286 1.00 0.00 C ATOM 957 CG GLU A 66 -7.830 5.714 -1.035 1.00 0.00 C ATOM 958 CD GLU A 66 -8.515 7.056 -0.773 1.00 0.00 C ATOM 959 OE1 GLU A 66 -9.733 7.080 -0.732 1.00 0.00 O ATOM 960 OE2 GLU A 66 -7.809 8.039 -0.616 1.00 0.00 O ATOM 0 H GLU A 66 -7.015 2.795 1.627 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.457 3.782 0.204 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.060 5.552 1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.599 4.806 0.493 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.859 5.875 -1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.424 5.120 -1.730 1.00 0.00 H new ATOM 967 N PHE A 67 -6.805 2.309 -1.094 1.00 0.00 N ATOM 968 CA PHE A 67 -6.350 1.584 -2.309 1.00 0.00 C ATOM 969 C PHE A 67 -7.174 0.306 -2.470 1.00 0.00 C ATOM 970 O PHE A 67 -7.392 -0.172 -3.566 1.00 0.00 O ATOM 971 CB PHE A 67 -4.867 1.227 -2.163 1.00 0.00 C ATOM 972 CG PHE A 67 -4.478 0.223 -3.223 1.00 0.00 C ATOM 973 CD1 PHE A 67 -4.534 0.577 -4.578 1.00 0.00 C ATOM 974 CD2 PHE A 67 -4.062 -1.061 -2.851 1.00 0.00 C ATOM 975 CE1 PHE A 67 -4.173 -0.355 -5.560 1.00 0.00 C ATOM 976 CE2 PHE A 67 -3.701 -1.993 -3.833 1.00 0.00 C ATOM 977 CZ PHE A 67 -3.756 -1.640 -5.188 1.00 0.00 C ATOM 0 H PHE A 67 -6.147 2.305 -0.315 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.484 2.216 -3.187 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.256 2.125 -2.257 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.678 0.815 -1.172 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.855 1.567 -4.865 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.019 -1.333 -1.807 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.216 -0.083 -6.604 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.380 -2.983 -3.546 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.477 -2.358 -5.945 1.00 0.00 H new ATOM 987 N LEU A 68 -7.637 -0.253 -1.384 1.00 0.00 N ATOM 988 CA LEU A 68 -8.447 -1.498 -1.478 1.00 0.00 C ATOM 989 C LEU A 68 -9.882 -1.142 -1.879 1.00 0.00 C ATOM 990 O LEU A 68 -10.540 -1.879 -2.585 1.00 0.00 O ATOM 991 CB LEU A 68 -8.435 -2.224 -0.122 1.00 0.00 C ATOM 992 CG LEU A 68 -9.464 -1.608 0.835 1.00 0.00 C ATOM 993 CD1 LEU A 68 -10.858 -2.153 0.516 1.00 0.00 C ATOM 994 CD2 LEU A 68 -9.100 -1.981 2.273 1.00 0.00 C ATOM 0 H LEU A 68 -7.489 0.099 -0.438 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.021 -2.158 -2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.655 -3.281 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.440 -2.164 0.319 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.462 -0.524 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.586 -1.713 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.122 -1.898 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.860 -3.237 0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.828 -1.546 2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.105 -3.066 2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.107 -1.598 2.508 1.00 0.00 H new ATOM 1006 N GLN A 69 -10.370 -0.015 -1.435 1.00 0.00 N ATOM 1007 CA GLN A 69 -11.760 0.385 -1.793 1.00 0.00 C ATOM 1008 C GLN A 69 -11.860 0.573 -3.308 1.00 0.00 C ATOM 1009 O GLN A 69 -12.869 0.273 -3.914 1.00 0.00 O ATOM 1010 CB GLN A 69 -12.108 1.700 -1.091 1.00 0.00 C ATOM 1011 CG GLN A 69 -13.557 2.077 -1.405 1.00 0.00 C ATOM 1012 CD GLN A 69 -13.969 3.279 -0.553 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -13.295 3.622 0.398 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -15.055 3.936 -0.855 1.00 0.00 N ATOM 0 H GLN A 69 -9.867 0.644 -0.841 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.456 -0.391 -1.476 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.973 1.597 -0.014 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.435 2.491 -1.422 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.660 2.316 -2.463 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -14.215 1.232 -1.203 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -15.620 3.647 -1.654 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -15.339 4.738 -0.293 1.00 0.00 H new ATOM 1023 N SER A 70 -10.821 1.066 -3.924 1.00 0.00 N ATOM 1024 CA SER A 70 -10.857 1.269 -5.399 1.00 0.00 C ATOM 1025 C SER A 70 -11.123 -0.070 -6.089 1.00 0.00 C ATOM 1026 O SER A 70 -11.710 -0.126 -7.152 1.00 0.00 O ATOM 1027 CB SER A 70 -9.514 1.828 -5.870 1.00 0.00 C ATOM 1028 OG SER A 70 -8.971 2.663 -4.856 1.00 0.00 O ATOM 0 H SER A 70 -9.949 1.337 -3.469 1.00 0.00 H new ATOM 0 HA SER A 70 -11.650 1.973 -5.651 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.826 1.013 -6.093 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.646 2.395 -6.792 1.00 0.00 H new ATOM 0 HG SER A 70 -8.109 3.022 -5.154 1.00 0.00 H new ATOM 1034 N GLN A 71 -10.693 -1.149 -5.494 1.00 0.00 N ATOM 1035 CA GLN A 71 -10.918 -2.483 -6.114 1.00 0.00 C ATOM 1036 C GLN A 71 -12.421 -2.736 -6.250 1.00 0.00 C ATOM 1037 O GLN A 71 -12.886 -3.254 -7.246 1.00 0.00 O ATOM 1038 CB GLN A 71 -10.298 -3.567 -5.230 1.00 0.00 C ATOM 1039 CG GLN A 71 -9.040 -4.119 -5.902 1.00 0.00 C ATOM 1040 CD GLN A 71 -9.053 -5.647 -5.837 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -8.562 -6.309 -6.728 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -9.599 -6.239 -4.809 1.00 0.00 N ATOM 0 H GLN A 71 -10.195 -1.163 -4.604 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.454 -2.508 -7.100 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.049 -3.155 -4.252 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.016 -4.370 -5.064 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.995 -3.789 -6.940 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.150 -3.731 -5.406 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.012 -5.683 -4.060 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.613 -7.257 -4.755 1.00 0.00 H new ATOM 1051 N LYS A 72 -13.183 -2.374 -5.257 1.00 0.00 N ATOM 1052 CA LYS A 72 -14.655 -2.592 -5.327 1.00 0.00 C ATOM 1053 C LYS A 72 -15.295 -1.489 -6.173 1.00 0.00 C ATOM 1054 O LYS A 72 -16.454 -1.559 -6.528 1.00 0.00 O ATOM 1055 CB LYS A 72 -15.244 -2.558 -3.915 1.00 0.00 C ATOM 1056 CG LYS A 72 -14.398 -3.432 -2.987 1.00 0.00 C ATOM 1057 CD LYS A 72 -15.031 -4.820 -2.871 1.00 0.00 C ATOM 1058 CE LYS A 72 -13.933 -5.871 -2.703 1.00 0.00 C ATOM 1059 NZ LYS A 72 -13.124 -5.553 -1.492 1.00 0.00 N ATOM 0 H LYS A 72 -12.850 -1.936 -4.398 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.857 -3.562 -5.782 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.268 -1.533 -3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.273 -2.916 -3.930 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.383 -3.515 -3.375 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.326 -2.971 -2.002 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.711 -4.851 -2.020 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.623 -5.037 -3.760 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.375 -6.863 -2.608 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.294 -5.890 -3.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.578 -6.392 -1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.472 -4.771 -1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.757 -5.274 -0.715 1.00 0.00 H new ATOM 1073 N THR A 73 -14.547 -0.469 -6.497 1.00 0.00 N ATOM 1074 CA THR A 73 -15.112 0.638 -7.319 1.00 0.00 C ATOM 1075 C THR A 73 -13.993 1.606 -7.708 1.00 0.00 C ATOM 1076 O THR A 73 -13.843 2.663 -7.126 1.00 0.00 O ATOM 1077 CB THR A 73 -16.174 1.385 -6.508 1.00 0.00 C ATOM 1078 OG1 THR A 73 -16.243 0.834 -5.200 1.00 0.00 O ATOM 1079 CG2 THR A 73 -17.534 1.246 -7.195 1.00 0.00 C ATOM 0 H THR A 73 -13.570 -0.355 -6.228 1.00 0.00 H new ATOM 0 HA THR A 73 -15.566 0.226 -8.220 1.00 0.00 H new ATOM 0 HB THR A 73 -15.908 2.440 -6.444 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.921 1.312 -4.679 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.290 1.778 -6.617 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.480 1.669 -8.198 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.803 0.192 -7.260 1.00 0.00 H new ATOM 1087 N ALA A 74 -13.205 1.255 -8.687 1.00 0.00 N ATOM 1088 CA ALA A 74 -12.096 2.156 -9.110 1.00 0.00 C ATOM 1089 C ALA A 74 -12.605 3.122 -10.183 1.00 0.00 C ATOM 1090 O ALA A 74 -12.550 2.838 -11.363 1.00 0.00 O ATOM 1091 CB ALA A 74 -10.949 1.319 -9.680 1.00 0.00 C ATOM 0 H ALA A 74 -13.281 0.384 -9.212 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.740 2.723 -8.250 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.137 1.977 -9.990 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.587 0.630 -8.917 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.305 0.752 -10.540 1.00 0.00 H new ATOM 1097 N HIS A 75 -13.098 4.261 -9.782 1.00 0.00 N ATOM 1098 CA HIS A 75 -13.609 5.244 -10.778 1.00 0.00 C ATOM 1099 C HIS A 75 -14.485 4.523 -11.804 1.00 0.00 C ATOM 1100 O HIS A 75 -14.506 4.868 -12.969 1.00 0.00 O ATOM 1101 CB HIS A 75 -12.429 5.906 -11.494 1.00 0.00 C ATOM 1102 CG HIS A 75 -11.848 6.979 -10.613 1.00 0.00 C ATOM 1103 ND1 HIS A 75 -10.746 7.729 -10.993 1.00 0.00 N ATOM 1104 CD2 HIS A 75 -12.205 7.440 -9.371 1.00 0.00 C ATOM 1105 CE1 HIS A 75 -10.480 8.593 -9.996 1.00 0.00 C ATOM 1106 NE2 HIS A 75 -11.340 8.459 -8.982 1.00 0.00 N ATOM 0 H HIS A 75 -13.169 4.554 -8.807 1.00 0.00 H new ATOM 0 HA HIS A 75 -14.198 6.005 -10.266 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -11.668 5.162 -11.729 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -12.758 6.336 -12.440 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -13.032 7.069 -8.784 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -9.670 9.307 -10.013 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -11.359 8.989 -8.111 1.00 0.00 H new ATOM 1114 N GLU A 76 -15.210 3.523 -11.381 1.00 0.00 N ATOM 1115 CA GLU A 76 -16.084 2.781 -12.334 1.00 0.00 C ATOM 1116 C GLU A 76 -17.547 3.144 -12.073 1.00 0.00 C ATOM 1117 O GLU A 76 -18.411 2.906 -12.893 1.00 0.00 O ATOM 1118 CB GLU A 76 -15.889 1.277 -12.138 1.00 0.00 C ATOM 1119 CG GLU A 76 -16.909 0.515 -12.986 1.00 0.00 C ATOM 1120 CD GLU A 76 -16.579 -0.979 -12.961 1.00 0.00 C ATOM 1121 OE1 GLU A 76 -15.589 -1.336 -12.345 1.00 0.00 O ATOM 1122 OE2 GLU A 76 -17.323 -1.740 -13.558 1.00 0.00 O ATOM 0 H GLU A 76 -15.235 3.188 -10.418 1.00 0.00 H new ATOM 0 HA GLU A 76 -15.820 3.052 -13.356 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.877 0.991 -12.423 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.009 1.018 -11.086 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.915 0.683 -12.602 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.894 0.885 -14.011 1.00 0.00 H new ATOM 1129 N THR A 77 -17.832 3.719 -10.937 1.00 0.00 N ATOM 1130 CA THR A 77 -19.239 4.097 -10.625 1.00 0.00 C ATOM 1131 C THR A 77 -19.757 5.064 -11.691 1.00 0.00 C ATOM 1132 O THR A 77 -20.946 5.193 -11.901 1.00 0.00 O ATOM 1133 CB THR A 77 -19.292 4.775 -9.253 1.00 0.00 C ATOM 1134 OG1 THR A 77 -20.495 5.524 -9.144 1.00 0.00 O ATOM 1135 CG2 THR A 77 -18.091 5.708 -9.096 1.00 0.00 C ATOM 0 H THR A 77 -17.151 3.943 -10.211 1.00 0.00 H new ATOM 0 HA THR A 77 -19.861 3.202 -10.614 1.00 0.00 H new ATOM 0 HB THR A 77 -19.263 4.017 -8.471 1.00 0.00 H new ATOM 0 HG1 THR A 77 -20.532 5.958 -8.266 1.00 0.00 H new ATOM 0 HG21 THR A 77 -18.130 6.190 -8.119 1.00 0.00 H new ATOM 0 HG22 THR A 77 -17.169 5.132 -9.180 1.00 0.00 H new ATOM 0 HG23 THR A 77 -18.116 6.468 -9.877 1.00 0.00 H new ATOM 1143 N ASP A 78 -18.872 5.744 -12.368 1.00 0.00 N ATOM 1144 CA ASP A 78 -19.315 6.701 -13.421 1.00 0.00 C ATOM 1145 C ASP A 78 -20.180 5.967 -14.448 1.00 0.00 C ATOM 1146 O ASP A 78 -20.189 4.754 -14.511 1.00 0.00 O ATOM 1147 CB ASP A 78 -18.089 7.295 -14.119 1.00 0.00 C ATOM 1148 CG ASP A 78 -17.261 6.171 -14.742 1.00 0.00 C ATOM 1149 OD1 ASP A 78 -17.790 5.080 -14.882 1.00 0.00 O ATOM 1150 OD2 ASP A 78 -16.112 6.419 -15.069 1.00 0.00 O ATOM 0 H ASP A 78 -17.863 5.678 -12.237 1.00 0.00 H new ATOM 0 HA ASP A 78 -19.896 7.501 -12.962 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -18.402 8.000 -14.889 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -17.485 7.852 -13.403 1.00 0.00 H new ATOM 1155 N LYS A 79 -20.908 6.693 -15.250 1.00 0.00 N ATOM 1156 CA LYS A 79 -21.773 6.036 -16.271 1.00 0.00 C ATOM 1157 C LYS A 79 -22.483 7.107 -17.103 1.00 0.00 C ATOM 1158 O LYS A 79 -23.564 7.552 -16.766 1.00 0.00 O ATOM 1159 CB LYS A 79 -22.813 5.160 -15.571 1.00 0.00 C ATOM 1160 CG LYS A 79 -23.200 3.995 -16.484 1.00 0.00 C ATOM 1161 CD LYS A 79 -22.490 2.724 -16.019 1.00 0.00 C ATOM 1162 CE LYS A 79 -23.456 1.540 -16.102 1.00 0.00 C ATOM 1163 NZ LYS A 79 -23.100 0.534 -15.061 1.00 0.00 N ATOM 0 H LYS A 79 -20.942 7.712 -15.243 1.00 0.00 H new ATOM 0 HA LYS A 79 -21.158 5.417 -16.924 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -22.411 4.781 -14.631 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -23.695 5.751 -15.325 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -24.280 3.848 -16.466 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -22.926 4.221 -17.515 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -21.614 2.536 -16.640 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -22.135 2.847 -14.996 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -24.481 1.882 -15.957 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -23.408 1.087 -17.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -23.756 -0.271 -15.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -22.128 0.200 -15.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -23.167 0.970 -14.119 1.00 0.00 H new ATOM 1177 N SER A 80 -21.887 7.524 -18.185 1.00 0.00 N ATOM 1178 CA SER A 80 -22.528 8.566 -19.035 1.00 0.00 C ATOM 1179 C SER A 80 -23.024 9.712 -18.152 1.00 0.00 C ATOM 1180 O SER A 80 -22.235 10.212 -17.366 1.00 0.00 O ATOM 1181 CB SER A 80 -23.712 7.954 -19.785 1.00 0.00 C ATOM 1182 OG SER A 80 -23.362 6.649 -20.230 1.00 0.00 O ATOM 1183 OXT SER A 80 -24.183 10.072 -18.275 1.00 0.00 O ATOM 0 H SER A 80 -20.983 7.188 -18.518 1.00 0.00 H new ATOM 0 HA SER A 80 -21.800 8.948 -19.751 1.00 0.00 H new ATOM 0 HB2 SER A 80 -24.585 7.907 -19.134 1.00 0.00 H new ATOM 0 HB3 SER A 80 -23.982 8.580 -20.635 1.00 0.00 H new ATOM 0 HG SER A 80 -24.119 6.253 -20.710 1.00 0.00 H new TER 1189 SER A 80