USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 565 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 52 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 160:sc= 0.22 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.301 USER MOD Single : A 10 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.22) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.021 K(o=-0.021,f=-1.3) USER MOD Single : A 21 CYS SG : rot -102:sc= -1.33 USER MOD Single : A 22 GLN : amide:sc= 0.702 K(o=0.7,f=-0.19) USER MOD Single : A 23 THR OG1 : rot -78:sc= 0.576 USER MOD Single : A 31 THR OG1 : rot -76:sc= 0.366 USER MOD Single : A 32 GLN : amide:sc= 0.878 K(o=0.88,f=-0.12) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -21:sc= 1.1 USER MOD Single : A 43 THR OG1 : rot 75:sc= 0.906 USER MOD Single : A 46 HIS : no HE2:sc= -0.521 K(o=-0.52,f=-4.3!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.0637 X(o=-0.064,f=-0.26) USER MOD Single : A 59 SER OG : rot 107:sc= 0.552 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 130:sc= 0.0956 USER MOD ----------------------------------------------------------------- ATOM 55 N LEU A 6 6.065 -13.635 -5.549 1.00 0.00 N ATOM 56 CA LEU A 6 4.958 -14.541 -5.265 1.00 0.00 C ATOM 57 C LEU A 6 4.126 -14.043 -4.090 1.00 0.00 C ATOM 58 O LEU A 6 2.902 -14.175 -4.083 1.00 0.00 O ATOM 59 CB LEU A 6 5.487 -15.953 -4.986 1.00 0.00 C ATOM 60 CG LEU A 6 6.142 -16.652 -6.183 1.00 0.00 C ATOM 61 CD1 LEU A 6 6.738 -17.985 -5.746 1.00 0.00 C ATOM 62 CD2 LEU A 6 5.110 -16.858 -7.281 1.00 0.00 C ATOM 0 HA LEU A 6 4.312 -14.573 -6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.214 -15.898 -4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.661 -16.570 -4.632 1.00 0.00 H new ATOM 0 HG LEU A 6 6.947 -16.028 -6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.201 -18.475 -6.603 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.490 -17.812 -4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.949 -18.623 -5.346 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.577 -17.355 -8.131 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.295 -17.475 -6.903 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.717 -15.892 -7.597 1.00 0.00 H new ATOM 74 N SER A 7 4.799 -13.472 -3.097 1.00 0.00 N ATOM 75 CA SER A 7 4.115 -12.842 -1.973 1.00 0.00 C ATOM 76 C SER A 7 3.493 -11.514 -2.381 1.00 0.00 C ATOM 77 O SER A 7 4.164 -10.652 -2.952 1.00 0.00 O ATOM 78 CB SER A 7 5.082 -12.641 -0.822 1.00 0.00 C ATOM 79 OG SER A 7 4.555 -11.796 0.166 1.00 0.00 O ATOM 0 H SER A 7 5.817 -13.432 -3.047 1.00 0.00 H new ATOM 0 HA SER A 7 3.310 -13.503 -1.651 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.326 -13.607 -0.380 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.013 -12.220 -1.200 1.00 0.00 H new ATOM 0 HG SER A 7 5.036 -11.938 1.008 1.00 0.00 H new ATOM 85 N LEU A 8 2.208 -11.351 -2.085 1.00 0.00 N ATOM 86 CA LEU A 8 1.519 -10.090 -2.329 1.00 0.00 C ATOM 87 C LEU A 8 2.061 -8.983 -1.434 1.00 0.00 C ATOM 88 O LEU A 8 2.154 -7.827 -1.847 1.00 0.00 O ATOM 89 CB LEU A 8 0.010 -10.259 -2.113 1.00 0.00 C ATOM 90 CG LEU A 8 -0.700 -11.152 -3.139 1.00 0.00 C ATOM 91 CD1 LEU A 8 -2.160 -11.340 -2.746 1.00 0.00 C ATOM 92 CD2 LEU A 8 -0.590 -10.527 -4.522 1.00 0.00 C ATOM 0 H LEU A 8 1.622 -12.078 -1.675 1.00 0.00 H new ATOM 0 HA LEU A 8 1.699 -9.802 -3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.154 -10.674 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.456 -9.274 -2.128 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.223 -12.132 -3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.656 -11.975 -3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.215 -11.810 -1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.656 -10.370 -2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.095 -11.162 -5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.057 -9.542 -4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.461 -10.428 -4.794 1.00 0.00 H new ATOM 104 N THR A 9 2.420 -9.345 -0.207 1.00 0.00 N ATOM 105 CA THR A 9 3.009 -8.396 0.730 1.00 0.00 C ATOM 106 C THR A 9 4.334 -7.855 0.207 1.00 0.00 C ATOM 107 O THR A 9 4.572 -6.648 0.219 1.00 0.00 O ATOM 108 CB THR A 9 3.238 -9.033 2.112 1.00 0.00 C ATOM 109 OG1 THR A 9 1.984 -9.462 2.657 1.00 0.00 O ATOM 110 CG2 THR A 9 3.884 -8.035 3.061 1.00 0.00 C ATOM 0 H THR A 9 2.313 -10.290 0.162 1.00 0.00 H new ATOM 0 HA THR A 9 2.299 -7.575 0.832 1.00 0.00 H new ATOM 0 HB THR A 9 3.903 -9.888 1.994 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.132 -9.869 3.536 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.038 -8.504 4.033 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.844 -7.717 2.656 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.233 -7.168 3.176 1.00 0.00 H new ATOM 118 N GLN A 10 5.194 -8.758 -0.256 1.00 0.00 N ATOM 119 CA GLN A 10 6.511 -8.378 -0.752 1.00 0.00 C ATOM 120 C GLN A 10 6.418 -7.744 -2.134 1.00 0.00 C ATOM 121 O GLN A 10 7.193 -6.849 -2.470 1.00 0.00 O ATOM 122 CB GLN A 10 7.436 -9.596 -0.804 1.00 0.00 C ATOM 123 CG GLN A 10 7.764 -10.188 0.557 1.00 0.00 C ATOM 124 CD GLN A 10 8.466 -9.197 1.465 1.00 0.00 C ATOM 125 OE1 GLN A 10 9.409 -8.516 1.053 1.00 0.00 O ATOM 126 NE2 GLN A 10 8.010 -9.111 2.710 1.00 0.00 N ATOM 0 H GLN A 10 5.001 -9.759 -0.298 1.00 0.00 H new ATOM 0 HA GLN A 10 6.925 -7.643 -0.062 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.971 -10.366 -1.420 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.365 -9.312 -1.298 1.00 0.00 H new ATOM 0 HG2 GLN A 10 6.844 -10.526 1.035 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.396 -11.066 0.425 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.227 -9.694 3.008 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.442 -8.462 3.368 1.00 0.00 H new ATOM 135 N LEU A 11 5.464 -8.212 -2.930 1.00 0.00 N ATOM 136 CA LEU A 11 5.284 -7.710 -4.287 1.00 0.00 C ATOM 137 C LEU A 11 4.868 -6.245 -4.282 1.00 0.00 C ATOM 138 O LEU A 11 5.327 -5.456 -5.107 1.00 0.00 O ATOM 139 CB LEU A 11 4.245 -8.557 -5.033 1.00 0.00 C ATOM 140 CG LEU A 11 3.979 -8.137 -6.484 1.00 0.00 C ATOM 141 CD1 LEU A 11 5.272 -8.179 -7.285 1.00 0.00 C ATOM 142 CD2 LEU A 11 2.934 -9.057 -7.097 1.00 0.00 C ATOM 0 H LEU A 11 4.802 -8.939 -2.659 1.00 0.00 H new ATOM 0 HA LEU A 11 6.240 -7.786 -4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.575 -9.596 -5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.305 -8.518 -4.482 1.00 0.00 H new ATOM 0 HG LEU A 11 3.600 -7.115 -6.503 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.073 -7.879 -8.314 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.997 -7.496 -6.842 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.674 -9.192 -7.274 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.746 -8.758 -8.128 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.298 -10.084 -7.078 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.009 -8.989 -6.525 1.00 0.00 H new ATOM 154 N ILE A 12 3.995 -5.887 -3.346 1.00 0.00 N ATOM 155 CA ILE A 12 3.625 -4.492 -3.138 1.00 0.00 C ATOM 156 C ILE A 12 4.840 -3.646 -2.782 1.00 0.00 C ATOM 157 O ILE A 12 4.987 -2.521 -3.260 1.00 0.00 O ATOM 158 CB ILE A 12 2.567 -4.348 -2.029 1.00 0.00 C ATOM 159 CG1 ILE A 12 1.225 -4.921 -2.493 1.00 0.00 C ATOM 160 CG2 ILE A 12 2.416 -2.889 -1.625 1.00 0.00 C ATOM 161 CD1 ILE A 12 0.216 -5.087 -1.380 1.00 0.00 C ATOM 0 H ILE A 12 3.530 -6.544 -2.719 1.00 0.00 H new ATOM 0 HA ILE A 12 3.203 -4.136 -4.078 1.00 0.00 H new ATOM 0 HB ILE A 12 2.899 -4.913 -1.158 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.805 -4.266 -3.257 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.397 -5.889 -2.963 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.664 -2.805 -0.840 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.370 -2.513 -1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.105 -2.302 -2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.709 -5.497 -1.786 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.614 -5.766 -0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.014 -4.118 -0.925 1.00 0.00 H new ATOM 173 N LEU A 13 5.709 -4.194 -1.939 1.00 0.00 N ATOM 174 CA LEU A 13 6.919 -3.494 -1.523 1.00 0.00 C ATOM 175 C LEU A 13 7.879 -3.313 -2.692 1.00 0.00 C ATOM 176 O LEU A 13 8.586 -2.308 -2.776 1.00 0.00 O ATOM 177 CB LEU A 13 7.606 -4.255 -0.383 1.00 0.00 C ATOM 178 CG LEU A 13 6.850 -4.249 0.952 1.00 0.00 C ATOM 179 CD1 LEU A 13 7.579 -5.119 1.968 1.00 0.00 C ATOM 180 CD2 LEU A 13 6.723 -2.821 1.460 1.00 0.00 C ATOM 0 H LEU A 13 5.598 -5.122 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 13 6.632 -2.505 -1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.754 -5.289 -0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.595 -3.825 -0.225 1.00 0.00 H new ATOM 0 HG LEU A 13 5.851 -4.659 0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.035 -5.109 2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.639 -6.141 1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.585 -4.730 2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.186 -2.819 2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.716 -2.397 1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.176 -2.223 0.731 1.00 0.00 H new ATOM 192 N ILE A 14 7.899 -4.291 -3.592 1.00 0.00 N ATOM 193 CA ILE A 14 8.710 -4.201 -4.801 1.00 0.00 C ATOM 194 C ILE A 14 8.268 -3.033 -5.675 1.00 0.00 C ATOM 195 O ILE A 14 9.098 -2.277 -6.182 1.00 0.00 O ATOM 196 CB ILE A 14 8.640 -5.501 -5.624 1.00 0.00 C ATOM 197 CG1 ILE A 14 9.353 -6.638 -4.886 1.00 0.00 C ATOM 198 CG2 ILE A 14 9.250 -5.291 -7.002 1.00 0.00 C ATOM 199 CD1 ILE A 14 9.103 -8.004 -5.484 1.00 0.00 C ATOM 0 H ILE A 14 7.363 -5.155 -3.507 1.00 0.00 H new ATOM 0 HA ILE A 14 9.739 -4.040 -4.479 1.00 0.00 H new ATOM 0 HB ILE A 14 7.593 -5.776 -5.751 1.00 0.00 H new ATOM 0 HG12 ILE A 14 10.425 -6.442 -4.886 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.029 -6.642 -3.845 1.00 0.00 H new ATOM 0 HG21 ILE A 14 9.193 -6.219 -7.571 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.702 -4.509 -7.527 1.00 0.00 H new ATOM 0 HG23 ILE A 14 10.293 -4.994 -6.897 1.00 0.00 H new ATOM 0 HD11 ILE A 14 9.640 -8.757 -4.908 1.00 0.00 H new ATOM 0 HD12 ILE A 14 8.035 -8.222 -5.460 1.00 0.00 H new ATOM 0 HD13 ILE A 14 9.453 -8.019 -6.516 1.00 0.00 H new ATOM 211 N ARG A 15 6.959 -2.893 -5.848 1.00 0.00 N ATOM 212 CA ARG A 15 6.406 -1.808 -6.650 1.00 0.00 C ATOM 213 C ARG A 15 6.618 -0.460 -5.974 1.00 0.00 C ATOM 214 O ARG A 15 6.896 0.541 -6.636 1.00 0.00 O ATOM 215 CB ARG A 15 4.940 -2.036 -6.990 1.00 0.00 C ATOM 216 CG ARG A 15 4.664 -3.264 -7.839 1.00 0.00 C ATOM 217 CD ARG A 15 5.191 -3.182 -9.226 1.00 0.00 C ATOM 218 NE ARG A 15 4.828 -4.304 -10.077 1.00 0.00 N ATOM 219 CZ ARG A 15 5.314 -4.512 -11.317 1.00 0.00 C ATOM 220 NH1 ARG A 15 6.152 -3.663 -11.867 1.00 0.00 N ATOM 221 NH2 ARG A 15 4.905 -5.583 -11.975 1.00 0.00 N ATOM 0 H ARG A 15 6.261 -3.517 -5.444 1.00 0.00 H new ATOM 0 HA ARG A 15 6.951 -1.797 -7.594 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.376 -2.120 -6.061 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.563 -1.158 -7.514 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.099 -4.135 -7.349 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.587 -3.427 -7.881 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.829 -2.262 -9.685 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.278 -3.111 -9.184 1.00 0.00 H new ATOM 0 HE ARG A 15 4.159 -4.981 -9.710 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.445 -2.831 -11.355 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.510 -3.836 -12.806 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.240 -6.224 -11.543 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.254 -5.768 -12.915 1.00 0.00 H new ATOM 235 N LEU A 16 6.485 -0.438 -4.653 1.00 0.00 N ATOM 236 CA LEU A 16 6.657 0.790 -3.885 1.00 0.00 C ATOM 237 C LEU A 16 8.132 1.123 -3.704 1.00 0.00 C ATOM 238 O LEU A 16 8.492 2.275 -3.455 1.00 0.00 O ATOM 239 CB LEU A 16 5.967 0.664 -2.520 1.00 0.00 C ATOM 240 CG LEU A 16 4.438 0.568 -2.569 1.00 0.00 C ATOM 241 CD1 LEU A 16 3.880 0.383 -1.164 1.00 0.00 C ATOM 242 CD2 LEU A 16 3.869 1.824 -3.212 1.00 0.00 C ATOM 0 H LEU A 16 6.258 -1.258 -4.090 1.00 0.00 H new ATOM 0 HA LEU A 16 6.194 1.605 -4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.355 -0.221 -2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.242 1.525 -1.911 1.00 0.00 H new ATOM 0 HG LEU A 16 4.148 -0.295 -3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.793 0.316 -1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.282 -0.533 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.165 1.233 -0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.782 1.755 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.159 2.696 -2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.258 1.922 -4.225 1.00 0.00 H new ATOM 254 N SER A 17 8.982 0.110 -3.829 1.00 0.00 N ATOM 255 CA SER A 17 10.427 0.313 -3.792 1.00 0.00 C ATOM 256 C SER A 17 10.914 1.025 -5.047 1.00 0.00 C ATOM 257 O SER A 17 11.666 1.997 -4.968 1.00 0.00 O ATOM 258 CB SER A 17 11.135 -1.016 -3.629 1.00 0.00 C ATOM 259 OG SER A 17 12.531 -0.874 -3.634 1.00 0.00 O ATOM 0 H SER A 17 8.696 -0.861 -3.957 1.00 0.00 H new ATOM 0 HA SER A 17 10.661 0.946 -2.936 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.822 -1.481 -2.694 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.836 -1.687 -4.435 1.00 0.00 H new ATOM 0 HG SER A 17 12.950 -1.753 -3.525 1.00 0.00 H new ATOM 265 N ASN A 18 10.484 0.536 -6.205 1.00 0.00 N ATOM 266 CA ASN A 18 10.932 1.079 -7.481 1.00 0.00 C ATOM 267 C ASN A 18 10.250 2.408 -7.784 1.00 0.00 C ATOM 268 O ASN A 18 10.877 3.334 -8.299 1.00 0.00 O ATOM 269 CB ASN A 18 10.698 0.098 -8.616 1.00 0.00 C ATOM 270 CG ASN A 18 11.613 -1.093 -8.584 1.00 0.00 C ATOM 271 OD1 ASN A 18 12.692 -1.059 -7.981 1.00 0.00 O ATOM 272 ND2 ASN A 18 11.227 -2.120 -9.297 1.00 0.00 N ATOM 0 H ASN A 18 9.824 -0.237 -6.286 1.00 0.00 H new ATOM 0 HA ASN A 18 12.005 1.252 -7.398 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.665 -0.248 -8.578 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.826 0.618 -9.566 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.826 -2.942 -9.374 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.327 -2.099 -9.776 1.00 0.00 H new ATOM 279 N ARG A 19 8.965 2.495 -7.460 1.00 0.00 N ATOM 280 CA ARG A 19 8.151 3.638 -7.856 1.00 0.00 C ATOM 281 C ARG A 19 7.991 4.623 -6.705 1.00 0.00 C ATOM 282 O ARG A 19 7.643 5.785 -6.916 1.00 0.00 O ATOM 283 CB ARG A 19 6.802 3.214 -8.418 1.00 0.00 C ATOM 284 CG ARG A 19 6.870 2.421 -9.713 1.00 0.00 C ATOM 285 CD ARG A 19 5.556 1.927 -10.198 1.00 0.00 C ATOM 286 NE ARG A 19 5.622 1.125 -11.410 1.00 0.00 N ATOM 287 CZ ARG A 19 5.677 1.629 -12.658 1.00 0.00 C ATOM 288 NH1 ARG A 19 5.635 2.926 -12.868 1.00 0.00 N ATOM 289 NH2 ARG A 19 5.749 0.782 -13.670 1.00 0.00 N ATOM 0 H ARG A 19 8.464 1.787 -6.924 1.00 0.00 H new ATOM 0 HA ARG A 19 8.681 4.147 -8.661 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.284 2.615 -7.669 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.198 4.106 -8.586 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.317 3.047 -10.485 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.534 1.569 -9.569 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.092 1.334 -9.410 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.905 2.782 -10.379 1.00 0.00 H new ATOM 0 HE ARG A 19 5.627 0.110 -11.308 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.560 3.568 -12.079 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.678 3.290 -13.820 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.762 -0.223 -13.494 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.792 1.133 -14.627 1.00 0.00 H new ATOM 303 N GLY A 20 8.247 4.153 -5.489 1.00 0.00 N ATOM 304 CA GLY A 20 8.242 5.019 -4.316 1.00 0.00 C ATOM 305 C GLY A 20 6.865 5.059 -3.666 1.00 0.00 C ATOM 306 O GLY A 20 6.714 4.735 -2.489 1.00 0.00 O ATOM 0 H GLY A 20 8.461 3.176 -5.290 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.977 4.663 -3.595 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.541 6.027 -4.604 1.00 0.00 H new ATOM 310 N CYS A 21 5.863 5.460 -4.441 1.00 0.00 N ATOM 311 CA CYS A 21 4.499 5.566 -3.935 1.00 0.00 C ATOM 312 C CYS A 21 3.482 5.361 -5.049 1.00 0.00 C ATOM 313 O CYS A 21 3.620 5.915 -6.140 1.00 0.00 O ATOM 314 CB CYS A 21 4.443 7.000 -3.411 1.00 0.00 C ATOM 315 SG CYS A 21 2.855 7.472 -2.686 1.00 0.00 S ATOM 0 H CYS A 21 5.970 5.717 -5.422 1.00 0.00 H new ATOM 0 HA CYS A 21 4.263 4.816 -3.180 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.223 7.130 -2.661 1.00 0.00 H new ATOM 0 HB3 CYS A 21 4.671 7.682 -4.230 1.00 0.00 H new ATOM 0 HG CYS A 21 2.187 8.194 -3.536 1.00 0.00 H new ATOM 321 N GLN A 22 2.457 4.564 -4.770 1.00 0.00 N ATOM 322 CA GLN A 22 1.468 4.204 -5.778 1.00 0.00 C ATOM 323 C GLN A 22 0.077 4.082 -5.167 1.00 0.00 C ATOM 324 O GLN A 22 -0.066 3.821 -3.972 1.00 0.00 O ATOM 325 CB GLN A 22 1.850 2.887 -6.459 1.00 0.00 C ATOM 326 CG GLN A 22 3.126 2.959 -7.279 1.00 0.00 C ATOM 327 CD GLN A 22 2.937 3.717 -8.580 1.00 0.00 C ATOM 328 OE1 GLN A 22 2.285 3.231 -9.507 1.00 0.00 O ATOM 329 NE2 GLN A 22 3.511 4.913 -8.655 1.00 0.00 N ATOM 0 H GLN A 22 2.289 4.154 -3.851 1.00 0.00 H new ATOM 0 HA GLN A 22 1.450 5.000 -6.522 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.964 2.116 -5.697 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.031 2.575 -7.108 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.906 3.442 -6.690 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.471 1.949 -7.498 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.041 5.275 -7.862 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.421 5.469 -9.505 1.00 0.00 H new ATOM 338 N THR A 23 -0.946 4.270 -5.994 1.00 0.00 N ATOM 339 CA THR A 23 -2.327 4.205 -5.531 1.00 0.00 C ATOM 340 C THR A 23 -2.765 2.763 -5.307 1.00 0.00 C ATOM 341 O THR A 23 -2.140 1.829 -5.810 1.00 0.00 O ATOM 342 CB THR A 23 -3.290 4.874 -6.527 1.00 0.00 C ATOM 343 OG1 THR A 23 -3.235 4.187 -7.784 1.00 0.00 O ATOM 344 CG2 THR A 23 -2.914 6.333 -6.736 1.00 0.00 C ATOM 0 H THR A 23 -0.844 4.469 -6.989 1.00 0.00 H new ATOM 0 HA THR A 23 -2.366 4.745 -4.585 1.00 0.00 H new ATOM 0 HB THR A 23 -4.300 4.824 -6.120 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.429 4.459 -8.271 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.606 6.789 -7.444 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.966 6.862 -5.784 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.900 6.394 -7.130 1.00 0.00 H new ATOM 352 N LEU A 24 -3.843 2.587 -4.550 1.00 0.00 N ATOM 353 CA LEU A 24 -4.397 1.262 -4.301 1.00 0.00 C ATOM 354 C LEU A 24 -4.794 0.578 -5.603 1.00 0.00 C ATOM 355 O LEU A 24 -4.585 -0.623 -5.773 1.00 0.00 O ATOM 356 CB LEU A 24 -5.605 1.361 -3.361 1.00 0.00 C ATOM 357 CG LEU A 24 -6.264 0.022 -3.004 1.00 0.00 C ATOM 358 CD1 LEU A 24 -5.265 -0.880 -2.295 1.00 0.00 C ATOM 359 CD2 LEU A 24 -7.481 0.274 -2.125 1.00 0.00 C ATOM 0 H LEU A 24 -4.351 3.347 -4.098 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.626 0.657 -3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.289 1.850 -2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.353 2.005 -3.823 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.587 -0.479 -3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.743 -1.827 -2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.413 -1.064 -2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.922 -0.395 -1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.950 -0.677 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.171 0.781 -1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.195 0.898 -2.662 1.00 0.00 H new ATOM 371 N GLU A 25 -5.367 1.349 -6.521 1.00 0.00 N ATOM 372 CA GLU A 25 -5.792 0.819 -7.811 1.00 0.00 C ATOM 373 C GLU A 25 -4.598 0.357 -8.636 1.00 0.00 C ATOM 374 O GLU A 25 -4.636 -0.705 -9.261 1.00 0.00 O ATOM 375 CB GLU A 25 -6.591 1.869 -8.586 1.00 0.00 C ATOM 376 CG GLU A 25 -7.968 2.162 -8.010 1.00 0.00 C ATOM 377 CD GLU A 25 -8.659 3.256 -8.774 1.00 0.00 C ATOM 378 OE1 GLU A 25 -8.058 3.801 -9.668 1.00 0.00 O ATOM 379 OE2 GLU A 25 -9.826 3.471 -8.542 1.00 0.00 O ATOM 0 H GLU A 25 -5.548 2.345 -6.395 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.431 -0.043 -7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.018 2.796 -8.615 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.706 1.533 -9.617 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.576 1.257 -8.037 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.873 2.451 -6.963 1.00 0.00 H new ATOM 386 N GLU A 26 -3.538 1.158 -8.634 1.00 0.00 N ATOM 387 CA GLU A 26 -2.307 0.801 -9.328 1.00 0.00 C ATOM 388 C GLU A 26 -1.687 -0.460 -8.739 1.00 0.00 C ATOM 389 O GLU A 26 -1.269 -1.358 -9.469 1.00 0.00 O ATOM 390 CB GLU A 26 -1.304 1.955 -9.269 1.00 0.00 C ATOM 391 CG GLU A 26 -1.594 3.091 -10.239 1.00 0.00 C ATOM 392 CD GLU A 26 -0.695 4.270 -9.987 1.00 0.00 C ATOM 393 OE1 GLU A 26 -0.665 4.741 -8.875 1.00 0.00 O ATOM 394 OE2 GLU A 26 0.044 4.627 -10.872 1.00 0.00 O ATOM 0 H GLU A 26 -3.507 2.060 -8.159 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.559 0.603 -10.370 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.288 2.355 -8.255 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.307 1.565 -9.474 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.459 2.741 -11.262 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.635 3.398 -10.141 1.00 0.00 H new ATOM 401 N LEU A 27 -1.632 -0.521 -7.412 1.00 0.00 N ATOM 402 CA LEU A 27 -1.051 -1.666 -6.722 1.00 0.00 C ATOM 403 C LEU A 27 -1.866 -2.929 -6.968 1.00 0.00 C ATOM 404 O LEU A 27 -1.314 -4.024 -7.082 1.00 0.00 O ATOM 405 CB LEU A 27 -0.948 -1.382 -5.218 1.00 0.00 C ATOM 406 CG LEU A 27 0.097 -0.332 -4.823 1.00 0.00 C ATOM 407 CD1 LEU A 27 -0.027 -0.004 -3.340 1.00 0.00 C ATOM 408 CD2 LEU A 27 1.489 -0.853 -5.145 1.00 0.00 C ATOM 0 H LEU A 27 -1.983 0.210 -6.793 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.050 -1.829 -7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.923 -1.054 -4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.716 -2.314 -4.703 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.075 0.583 -5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.719 0.743 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.023 0.388 -3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.134 -0.908 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.231 -0.106 -4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.671 -1.773 -4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.564 -1.055 -6.214 1.00 0.00 H new ATOM 420 N GLU A 28 -3.183 -2.772 -7.050 1.00 0.00 N ATOM 421 CA GLU A 28 -4.071 -3.886 -7.360 1.00 0.00 C ATOM 422 C GLU A 28 -3.799 -4.435 -8.754 1.00 0.00 C ATOM 423 O GLU A 28 -3.764 -5.649 -8.959 1.00 0.00 O ATOM 424 CB GLU A 28 -5.535 -3.454 -7.242 1.00 0.00 C ATOM 425 CG GLU A 28 -6.541 -4.558 -7.530 1.00 0.00 C ATOM 426 CD GLU A 28 -7.951 -4.044 -7.459 1.00 0.00 C ATOM 427 OE1 GLU A 28 -8.127 -2.884 -7.175 1.00 0.00 O ATOM 428 OE2 GLU A 28 -8.849 -4.779 -7.798 1.00 0.00 O ATOM 0 H GLU A 28 -3.660 -1.882 -6.906 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.876 -4.678 -6.637 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.709 -3.074 -6.235 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.714 -2.628 -7.930 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.353 -4.975 -8.519 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.410 -5.368 -6.813 1.00 0.00 H new ATOM 435 N GLU A 29 -3.604 -3.535 -9.712 1.00 0.00 N ATOM 436 CA GLU A 29 -3.300 -3.927 -11.083 1.00 0.00 C ATOM 437 C GLU A 29 -1.899 -4.514 -11.191 1.00 0.00 C ATOM 438 O GLU A 29 -1.638 -5.374 -12.032 1.00 0.00 O ATOM 439 CB GLU A 29 -3.445 -2.733 -12.028 1.00 0.00 C ATOM 440 CG GLU A 29 -4.879 -2.272 -12.245 1.00 0.00 C ATOM 441 CD GLU A 29 -4.931 -1.021 -13.077 1.00 0.00 C ATOM 442 OE1 GLU A 29 -3.890 -0.511 -13.415 1.00 0.00 O ATOM 443 OE2 GLU A 29 -6.008 -0.638 -13.470 1.00 0.00 O ATOM 0 H GLU A 29 -3.651 -2.527 -9.563 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.015 -4.697 -11.375 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.865 -1.900 -11.632 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.011 -2.994 -12.993 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.447 -3.062 -12.737 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.355 -2.090 -11.281 1.00 0.00 H new ATOM 450 N PHE A 30 -0.998 -4.042 -10.335 1.00 0.00 N ATOM 451 CA PHE A 30 0.369 -4.546 -10.307 1.00 0.00 C ATOM 452 C PHE A 30 0.421 -5.969 -9.767 1.00 0.00 C ATOM 453 O PHE A 30 1.198 -6.797 -10.246 1.00 0.00 O ATOM 454 CB PHE A 30 1.258 -3.631 -9.462 1.00 0.00 C ATOM 455 CG PHE A 30 1.504 -2.285 -10.081 1.00 0.00 C ATOM 456 CD1 PHE A 30 1.240 -2.064 -11.425 1.00 0.00 C ATOM 457 CD2 PHE A 30 1.998 -1.236 -9.320 1.00 0.00 C ATOM 458 CE1 PHE A 30 1.466 -0.825 -11.993 1.00 0.00 C ATOM 459 CE2 PHE A 30 2.224 0.004 -9.887 1.00 0.00 C ATOM 460 CZ PHE A 30 1.956 0.208 -11.227 1.00 0.00 C ATOM 0 H PHE A 30 -1.191 -3.310 -9.651 1.00 0.00 H new ATOM 0 HA PHE A 30 0.742 -4.557 -11.331 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.796 -3.492 -8.485 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.216 -4.124 -9.294 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.854 -2.869 -12.033 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.209 -1.390 -8.272 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.258 -0.667 -13.041 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.610 0.812 -9.283 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.131 1.176 -11.672 1.00 0.00 H new ATOM 470 N THR A 31 -0.410 -6.250 -8.771 1.00 0.00 N ATOM 471 CA THR A 31 -0.385 -7.541 -8.093 1.00 0.00 C ATOM 472 C THR A 31 -1.411 -8.497 -8.687 1.00 0.00 C ATOM 473 O THR A 31 -1.314 -9.711 -8.518 1.00 0.00 O ATOM 474 CB THR A 31 -0.653 -7.391 -6.583 1.00 0.00 C ATOM 475 OG1 THR A 31 -1.948 -6.811 -6.380 1.00 0.00 O ATOM 476 CG2 THR A 31 0.403 -6.506 -5.940 1.00 0.00 C ATOM 0 H THR A 31 -1.111 -5.600 -8.414 1.00 0.00 H new ATOM 0 HA THR A 31 0.615 -7.951 -8.238 1.00 0.00 H new ATOM 0 HB THR A 31 -0.614 -8.378 -6.122 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.911 -5.851 -6.576 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.198 -6.411 -4.874 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.387 -6.952 -6.082 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.382 -5.519 -6.403 1.00 0.00 H new ATOM 484 N GLN A 32 -2.396 -7.939 -9.385 1.00 0.00 N ATOM 485 CA GLN A 32 -3.473 -8.737 -9.960 1.00 0.00 C ATOM 486 C GLN A 32 -4.080 -9.673 -8.925 1.00 0.00 C ATOM 487 O GLN A 32 -4.112 -10.890 -9.117 1.00 0.00 O ATOM 488 CB GLN A 32 -2.960 -9.546 -11.154 1.00 0.00 C ATOM 489 CG GLN A 32 -2.579 -8.705 -12.361 1.00 0.00 C ATOM 490 CD GLN A 32 -3.791 -8.132 -13.071 1.00 0.00 C ATOM 491 OE1 GLN A 32 -4.727 -8.858 -13.419 1.00 0.00 O ATOM 492 NE2 GLN A 32 -3.780 -6.823 -13.294 1.00 0.00 N ATOM 0 H GLN A 32 -2.470 -6.938 -9.566 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.249 -8.051 -10.299 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.091 -10.124 -10.840 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.728 -10.260 -11.451 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.929 -7.890 -12.042 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.006 -9.315 -13.060 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.986 -6.260 -12.989 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.566 -6.380 -13.770 1.00 0.00 H new ATOM 501 N ALA A 33 -4.559 -9.102 -7.826 1.00 0.00 N ATOM 502 CA ALA A 33 -5.086 -9.891 -6.719 1.00 0.00 C ATOM 503 C ALA A 33 -6.301 -9.220 -6.092 1.00 0.00 C ATOM 504 O ALA A 33 -6.592 -8.056 -6.371 1.00 0.00 O ATOM 505 CB ALA A 33 -4.005 -10.123 -5.672 1.00 0.00 C ATOM 0 H ALA A 33 -4.593 -8.093 -7.678 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.404 -10.856 -7.114 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.414 -10.713 -4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.170 -10.658 -6.124 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.657 -9.163 -5.290 1.00 0.00 H new ATOM 511 N LYS A 34 -7.007 -9.958 -5.243 1.00 0.00 N ATOM 512 CA LYS A 34 -8.202 -9.441 -4.588 1.00 0.00 C ATOM 513 C LYS A 34 -7.877 -8.230 -3.724 1.00 0.00 C ATOM 514 O LYS A 34 -6.959 -8.269 -2.905 1.00 0.00 O ATOM 515 CB LYS A 34 -8.862 -10.530 -3.740 1.00 0.00 C ATOM 516 CG LYS A 34 -10.196 -10.128 -3.128 1.00 0.00 C ATOM 517 CD LYS A 34 -10.845 -11.295 -2.398 1.00 0.00 C ATOM 518 CE LYS A 34 -12.221 -10.921 -1.868 1.00 0.00 C ATOM 519 NZ LYS A 34 -12.876 -12.060 -1.167 1.00 0.00 N ATOM 0 H LYS A 34 -6.772 -10.918 -4.992 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.898 -9.127 -5.366 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.012 -11.415 -4.359 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.179 -10.813 -2.939 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.045 -9.301 -2.434 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.864 -9.769 -3.911 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.932 -12.146 -3.074 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.208 -11.609 -1.571 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.129 -10.078 -1.183 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.851 -10.593 -2.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.811 -11.763 -0.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.987 -12.856 -1.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.288 -12.357 -0.362 1.00 0.00 H new ATOM 533 N ARG A 35 -8.633 -7.154 -3.913 1.00 0.00 N ATOM 534 CA ARG A 35 -8.389 -5.909 -3.194 1.00 0.00 C ATOM 535 C ARG A 35 -8.410 -6.131 -1.688 1.00 0.00 C ATOM 536 O ARG A 35 -7.545 -5.635 -0.966 1.00 0.00 O ATOM 537 CB ARG A 35 -9.356 -4.809 -3.608 1.00 0.00 C ATOM 538 CG ARG A 35 -9.070 -3.445 -3.000 1.00 0.00 C ATOM 539 CD ARG A 35 -9.924 -2.348 -3.524 1.00 0.00 C ATOM 540 NE ARG A 35 -9.806 -2.124 -4.957 1.00 0.00 N ATOM 541 CZ ARG A 35 -10.674 -1.405 -5.692 1.00 0.00 C ATOM 542 NH1 ARG A 35 -11.743 -0.869 -5.146 1.00 0.00 N ATOM 543 NH2 ARG A 35 -10.436 -1.270 -6.986 1.00 0.00 N ATOM 0 H ARG A 35 -9.421 -7.119 -4.559 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.390 -5.570 -3.468 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.337 -4.718 -4.694 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -10.366 -5.110 -3.331 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.202 -3.507 -1.920 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.025 -3.193 -3.179 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.965 -2.570 -3.288 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.669 -1.425 -3.003 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.009 -2.541 -5.438 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.925 -0.995 -4.150 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.391 -0.327 -5.718 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.612 -1.705 -7.401 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.076 -0.731 -7.569 1.00 0.00 H new ATOM 557 N GLU A 36 -9.401 -6.880 -1.218 1.00 0.00 N ATOM 558 CA GLU A 36 -9.532 -7.174 0.205 1.00 0.00 C ATOM 559 C GLU A 36 -8.263 -7.814 0.752 1.00 0.00 C ATOM 560 O GLU A 36 -7.745 -7.398 1.789 1.00 0.00 O ATOM 561 CB GLU A 36 -10.732 -8.091 0.454 1.00 0.00 C ATOM 562 CG GLU A 36 -10.966 -8.435 1.918 1.00 0.00 C ATOM 563 CD GLU A 36 -12.209 -9.263 2.093 1.00 0.00 C ATOM 564 OE1 GLU A 36 -12.882 -9.502 1.119 1.00 0.00 O ATOM 565 OE2 GLU A 36 -12.427 -9.750 3.176 1.00 0.00 O ATOM 0 H GLU A 36 -10.127 -7.295 -1.802 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.692 -6.231 0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.628 -7.613 0.058 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.590 -9.015 -0.106 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.106 -8.980 2.308 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.053 -7.517 2.500 1.00 0.00 H new ATOM 572 N VAL A 37 -7.766 -8.827 0.051 1.00 0.00 N ATOM 573 CA VAL A 37 -6.542 -9.510 0.453 1.00 0.00 C ATOM 574 C VAL A 37 -5.356 -8.555 0.456 1.00 0.00 C ATOM 575 O VAL A 37 -4.510 -8.603 1.350 1.00 0.00 O ATOM 576 CB VAL A 37 -6.228 -10.699 -0.473 1.00 0.00 C ATOM 577 CG1 VAL A 37 -4.853 -11.268 -0.162 1.00 0.00 C ATOM 578 CG2 VAL A 37 -7.292 -11.778 -0.335 1.00 0.00 C ATOM 0 H VAL A 37 -8.193 -9.194 -0.800 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.708 -9.883 1.464 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.229 -10.342 -1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.648 -12.108 -0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.098 -10.496 -0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.826 -11.609 0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.054 -12.611 -0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -7.321 -12.131 0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.265 -11.367 -0.605 1.00 0.00 H new ATOM 588 N LEU A 38 -5.297 -7.688 -0.548 1.00 0.00 N ATOM 589 CA LEU A 38 -4.219 -6.714 -0.658 1.00 0.00 C ATOM 590 C LEU A 38 -4.266 -5.709 0.486 1.00 0.00 C ATOM 591 O LEU A 38 -3.229 -5.262 0.976 1.00 0.00 O ATOM 592 CB LEU A 38 -4.294 -5.989 -2.008 1.00 0.00 C ATOM 593 CG LEU A 38 -4.013 -6.865 -3.235 1.00 0.00 C ATOM 594 CD1 LEU A 38 -4.355 -6.104 -4.510 1.00 0.00 C ATOM 595 CD2 LEU A 38 -2.551 -7.288 -3.235 1.00 0.00 C ATOM 0 H LEU A 38 -5.985 -7.640 -1.299 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.272 -7.250 -0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.287 -5.552 -2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.582 -5.164 -1.999 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.636 -7.758 -3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.152 -6.735 -5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.410 -5.831 -4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.748 -5.201 -4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.352 -7.911 -4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.916 -6.403 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.336 -7.854 -2.329 1.00 0.00 H new ATOM 607 N LEU A 39 -5.477 -5.356 0.907 1.00 0.00 N ATOM 608 CA LEU A 39 -5.661 -4.437 2.023 1.00 0.00 C ATOM 609 C LEU A 39 -5.204 -5.063 3.335 1.00 0.00 C ATOM 610 O LEU A 39 -4.721 -4.371 4.230 1.00 0.00 O ATOM 611 CB LEU A 39 -7.131 -4.009 2.120 1.00 0.00 C ATOM 612 CG LEU A 39 -7.614 -3.079 0.999 1.00 0.00 C ATOM 613 CD1 LEU A 39 -9.125 -2.900 1.084 1.00 0.00 C ATOM 614 CD2 LEU A 39 -6.906 -1.738 1.108 1.00 0.00 C ATOM 0 H LEU A 39 -6.345 -5.693 0.491 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.046 -3.556 1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.754 -4.903 2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.286 -3.510 3.077 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.376 -3.522 0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.459 -2.238 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.613 -3.869 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.386 -2.464 2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.250 -1.079 0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.129 -1.286 2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.830 -1.886 1.017 1.00 0.00 H new ATOM 626 N VAL A 40 -5.361 -6.378 3.442 1.00 0.00 N ATOM 627 CA VAL A 40 -4.864 -7.117 4.597 1.00 0.00 C ATOM 628 C VAL A 40 -3.343 -7.067 4.671 1.00 0.00 C ATOM 629 O VAL A 40 -2.771 -6.862 5.740 1.00 0.00 O ATOM 630 CB VAL A 40 -5.319 -8.587 4.565 1.00 0.00 C ATOM 631 CG1 VAL A 40 -4.610 -9.388 5.648 1.00 0.00 C ATOM 632 CG2 VAL A 40 -6.827 -8.683 4.737 1.00 0.00 C ATOM 0 H VAL A 40 -5.829 -6.954 2.742 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.283 -6.636 5.481 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.055 -9.007 3.594 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.944 -10.425 5.611 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.533 -9.347 5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.845 -8.966 6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.130 -9.730 4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.113 -8.245 5.694 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.320 -8.143 3.929 1.00 0.00 H new ATOM 642 N THR A 41 -2.694 -7.257 3.527 1.00 0.00 N ATOM 643 CA THR A 41 -1.238 -7.236 3.459 1.00 0.00 C ATOM 644 C THR A 41 -0.700 -5.821 3.619 1.00 0.00 C ATOM 645 O THR A 41 0.400 -5.620 4.135 1.00 0.00 O ATOM 646 CB THR A 41 -0.725 -7.822 2.132 1.00 0.00 C ATOM 647 OG1 THR A 41 -1.233 -7.048 1.036 1.00 0.00 O ATOM 648 CG2 THR A 41 -1.174 -9.267 1.977 1.00 0.00 C ATOM 0 H THR A 41 -3.155 -7.428 2.633 1.00 0.00 H new ATOM 0 HA THR A 41 -0.877 -7.854 4.281 1.00 0.00 H new ATOM 0 HB THR A 41 0.364 -7.789 2.136 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.032 -6.559 1.324 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.802 -9.664 1.033 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.780 -9.861 2.801 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.263 -9.313 1.986 1.00 0.00 H new ATOM 656 N LEU A 42 -1.480 -4.842 3.174 1.00 0.00 N ATOM 657 CA LEU A 42 -1.134 -3.439 3.367 1.00 0.00 C ATOM 658 C LEU A 42 -1.249 -3.039 4.833 1.00 0.00 C ATOM 659 O LEU A 42 -0.443 -2.258 5.338 1.00 0.00 O ATOM 660 CB LEU A 42 -2.032 -2.548 2.499 1.00 0.00 C ATOM 661 CG LEU A 42 -1.745 -2.602 0.993 1.00 0.00 C ATOM 662 CD1 LEU A 42 -2.894 -1.970 0.220 1.00 0.00 C ATOM 663 CD2 LEU A 42 -0.436 -1.885 0.698 1.00 0.00 C ATOM 0 H LEU A 42 -2.357 -4.995 2.677 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.097 -3.301 3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.070 -2.834 2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.928 -1.517 2.836 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.653 -3.641 0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.681 -2.013 -0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.815 -2.514 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.009 -0.930 0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.233 -1.924 -0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.511 -0.845 1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.375 -2.372 1.239 1.00 0.00 H new ATOM 675 N THR A 43 -2.257 -3.580 5.510 1.00 0.00 N ATOM 676 CA THR A 43 -2.408 -3.381 6.948 1.00 0.00 C ATOM 677 C THR A 43 -1.256 -4.019 7.714 1.00 0.00 C ATOM 678 O THR A 43 -0.757 -3.452 8.687 1.00 0.00 O ATOM 679 CB THR A 43 -3.739 -3.960 7.461 1.00 0.00 C ATOM 680 OG1 THR A 43 -4.834 -3.274 6.840 1.00 0.00 O ATOM 681 CG2 THR A 43 -3.840 -3.806 8.971 1.00 0.00 C ATOM 0 H THR A 43 -2.982 -4.160 5.086 1.00 0.00 H new ATOM 0 HA THR A 43 -2.402 -2.305 7.120 1.00 0.00 H new ATOM 0 HB THR A 43 -3.777 -5.020 7.210 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.924 -3.574 5.911 1.00 0.00 H new ATOM 0 HG21 THR A 43 -4.787 -4.221 9.316 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.016 -4.338 9.447 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.789 -2.749 9.233 1.00 0.00 H new ATOM 689 N ARG A 44 -0.841 -5.200 7.273 1.00 0.00 N ATOM 690 CA ARG A 44 0.286 -5.895 7.886 1.00 0.00 C ATOM 691 C ARG A 44 1.574 -5.094 7.733 1.00 0.00 C ATOM 692 O ARG A 44 2.433 -5.110 8.615 1.00 0.00 O ATOM 693 CB ARG A 44 0.444 -7.311 7.356 1.00 0.00 C ATOM 694 CG ARG A 44 -0.615 -8.293 7.828 1.00 0.00 C ATOM 695 CD ARG A 44 -0.529 -9.637 7.201 1.00 0.00 C ATOM 696 NE ARG A 44 -1.538 -10.580 7.654 1.00 0.00 N ATOM 697 CZ ARG A 44 -1.696 -11.826 7.164 1.00 0.00 C ATOM 698 NH1 ARG A 44 -0.939 -12.270 6.186 1.00 0.00 N ATOM 699 NH2 ARG A 44 -2.648 -12.583 7.680 1.00 0.00 N ATOM 0 H ARG A 44 -1.268 -5.698 6.492 1.00 0.00 H new ATOM 0 HA ARG A 44 0.070 -5.981 8.951 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.429 -7.279 6.267 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.424 -7.686 7.651 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.534 -8.404 8.909 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.600 -7.873 7.624 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.613 -9.526 6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.457 -10.055 7.402 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.171 -10.278 8.395 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.218 -11.669 5.786 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.072 -13.215 5.827 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.239 -12.220 8.428 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.792 -13.530 7.330 1.00 0.00 H new ATOM 713 N LEU A 45 1.702 -4.397 6.610 1.00 0.00 N ATOM 714 CA LEU A 45 2.841 -3.517 6.380 1.00 0.00 C ATOM 715 C LEU A 45 2.783 -2.292 7.284 1.00 0.00 C ATOM 716 O LEU A 45 3.812 -1.792 7.737 1.00 0.00 O ATOM 717 CB LEU A 45 2.895 -3.093 4.907 1.00 0.00 C ATOM 718 CG LEU A 45 3.274 -4.204 3.921 1.00 0.00 C ATOM 719 CD1 LEU A 45 3.128 -3.706 2.490 1.00 0.00 C ATOM 720 CD2 LEU A 45 4.701 -4.659 4.191 1.00 0.00 C ATOM 0 H LEU A 45 1.030 -4.425 5.843 1.00 0.00 H new ATOM 0 HA LEU A 45 3.749 -4.069 6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.920 -2.695 4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.613 -2.279 4.806 1.00 0.00 H new ATOM 0 HG LEU A 45 2.604 -5.053 4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.400 -4.503 1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.095 -3.408 2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.785 -2.850 2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.970 -5.449 3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.381 -3.816 4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.775 -5.038 5.210 1.00 0.00 H new ATOM 732 N HIS A 46 1.570 -1.811 7.541 1.00 0.00 N ATOM 733 CA HIS A 46 1.363 -0.729 8.497 1.00 0.00 C ATOM 734 C HIS A 46 1.779 -1.147 9.901 1.00 0.00 C ATOM 735 O HIS A 46 2.395 -0.373 10.633 1.00 0.00 O ATOM 736 CB HIS A 46 -0.101 -0.279 8.495 1.00 0.00 C ATOM 737 CG HIS A 46 -0.512 0.433 7.245 1.00 0.00 C ATOM 738 ND1 HIS A 46 0.287 1.376 6.631 1.00 0.00 N ATOM 739 CD2 HIS A 46 -1.635 0.345 6.494 1.00 0.00 C ATOM 740 CE1 HIS A 46 -0.328 1.835 5.555 1.00 0.00 C ATOM 741 NE2 HIS A 46 -1.495 1.226 5.450 1.00 0.00 N ATOM 0 H HIS A 46 0.716 -2.154 7.101 1.00 0.00 H new ATOM 0 HA HIS A 46 1.990 0.108 8.190 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -0.740 -1.152 8.632 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.271 0.377 9.348 1.00 0.00 H new ATOM 0 HD1 HIS A 46 1.207 1.672 6.956 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.482 -0.298 6.681 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.058 2.581 4.877 1.00 0.00 H new ATOM 749 N GLN A 47 1.438 -2.378 10.272 1.00 0.00 N ATOM 750 CA GLN A 47 1.739 -2.887 11.605 1.00 0.00 C ATOM 751 C GLN A 47 3.242 -2.938 11.847 1.00 0.00 C ATOM 752 O GLN A 47 3.707 -2.707 12.963 1.00 0.00 O ATOM 753 CB GLN A 47 1.138 -4.281 11.794 1.00 0.00 C ATOM 754 CG GLN A 47 -0.376 -4.294 11.926 1.00 0.00 C ATOM 755 CD GLN A 47 -0.941 -5.702 11.978 1.00 0.00 C ATOM 756 OE1 GLN A 47 -0.205 -6.685 11.861 1.00 0.00 O ATOM 757 NE2 GLN A 47 -2.254 -5.805 12.148 1.00 0.00 N ATOM 0 H GLN A 47 0.953 -3.041 9.667 1.00 0.00 H new ATOM 0 HA GLN A 47 1.295 -2.204 12.329 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.423 -4.905 10.947 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.573 -4.734 12.685 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.664 -3.757 12.830 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.816 -3.760 11.084 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.824 -4.964 12.240 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.693 -6.725 12.186 1.00 0.00 H new ATOM 766 N ARG A 48 3.996 -3.242 10.798 1.00 0.00 N ATOM 767 CA ARG A 48 5.451 -3.288 10.886 1.00 0.00 C ATOM 768 C ARG A 48 6.060 -1.903 10.710 1.00 0.00 C ATOM 769 O ARG A 48 7.253 -1.706 10.933 1.00 0.00 O ATOM 770 CB ARG A 48 6.053 -4.291 9.914 1.00 0.00 C ATOM 771 CG ARG A 48 5.722 -5.745 10.207 1.00 0.00 C ATOM 772 CD ARG A 48 6.420 -6.306 11.394 1.00 0.00 C ATOM 773 NE ARG A 48 6.190 -7.724 11.614 1.00 0.00 N ATOM 774 CZ ARG A 48 6.816 -8.464 12.549 1.00 0.00 C ATOM 775 NH1 ARG A 48 7.736 -7.936 13.327 1.00 0.00 N ATOM 776 NH2 ARG A 48 6.499 -9.743 12.649 1.00 0.00 N ATOM 0 H ARG A 48 3.623 -3.461 9.874 1.00 0.00 H new ATOM 0 HA ARG A 48 5.700 -3.634 11.889 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.709 -4.051 8.908 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.137 -4.173 9.917 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.646 -5.837 10.356 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.976 -6.346 9.334 1.00 0.00 H new ATOM 0 HD2 ARG A 48 7.491 -6.138 11.283 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.101 -5.757 12.280 1.00 0.00 H new ATOM 0 HE ARG A 48 5.507 -8.192 11.018 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.985 -6.952 13.227 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.200 -8.511 14.030 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.797 -10.145 12.027 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.956 -10.329 13.348 1.00 0.00 H new ATOM 790 N GLY A 49 5.231 -0.946 10.307 1.00 0.00 N ATOM 791 CA GLY A 49 5.675 0.433 10.147 1.00 0.00 C ATOM 792 C GLY A 49 6.517 0.601 8.890 1.00 0.00 C ATOM 793 O GLY A 49 7.524 1.309 8.895 1.00 0.00 O ATOM 0 H GLY A 49 4.247 -1.101 10.085 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.809 1.093 10.098 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.256 0.734 11.019 1.00 0.00 H new ATOM 797 N VAL A 50 6.100 -0.055 7.812 1.00 0.00 N ATOM 798 CA VAL A 50 6.860 -0.046 6.568 1.00 0.00 C ATOM 799 C VAL A 50 6.317 0.998 5.599 1.00 0.00 C ATOM 800 O VAL A 50 7.080 1.746 4.987 1.00 0.00 O ATOM 801 CB VAL A 50 6.840 -1.426 5.883 1.00 0.00 C ATOM 802 CG1 VAL A 50 7.600 -1.378 4.567 1.00 0.00 C ATOM 803 CG2 VAL A 50 7.432 -2.483 6.802 1.00 0.00 C ATOM 0 H VAL A 50 5.239 -0.600 7.775 1.00 0.00 H new ATOM 0 HA VAL A 50 7.888 0.204 6.830 1.00 0.00 H new ATOM 0 HB VAL A 50 5.804 -1.692 5.672 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.576 -2.361 4.097 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.135 -0.647 3.905 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.635 -1.091 4.755 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.411 -3.452 6.303 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.463 -2.221 7.042 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.848 -2.535 7.721 1.00 0.00 H new ATOM 813 N ILE A 51 4.996 1.043 5.465 1.00 0.00 N ATOM 814 CA ILE A 51 4.350 1.987 4.561 1.00 0.00 C ATOM 815 C ILE A 51 3.316 2.832 5.294 1.00 0.00 C ATOM 816 O ILE A 51 2.932 2.521 6.423 1.00 0.00 O ATOM 817 CB ILE A 51 3.668 1.268 3.383 1.00 0.00 C ATOM 818 CG1 ILE A 51 2.529 0.378 3.889 1.00 0.00 C ATOM 819 CG2 ILE A 51 4.683 0.446 2.604 1.00 0.00 C ATOM 820 CD1 ILE A 51 1.686 -0.221 2.786 1.00 0.00 C ATOM 0 H ILE A 51 4.351 0.436 5.971 1.00 0.00 H new ATOM 0 HA ILE A 51 5.136 2.635 4.172 1.00 0.00 H new ATOM 0 HB ILE A 51 3.247 2.019 2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.950 -0.428 4.490 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.887 0.964 4.546 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.185 -0.056 1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.462 1.102 2.216 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.131 -0.298 3.262 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.901 -0.838 3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.235 0.578 2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.314 -0.836 2.141 1.00 0.00 H new ATOM 832 N TYR A 52 2.867 3.903 4.649 1.00 0.00 N ATOM 833 CA TYR A 52 1.801 4.735 5.191 1.00 0.00 C ATOM 834 C TYR A 52 0.830 5.168 4.100 1.00 0.00 C ATOM 835 O TYR A 52 1.193 5.235 2.925 1.00 0.00 O ATOM 836 CB TYR A 52 2.382 5.963 5.894 1.00 0.00 C ATOM 837 CG TYR A 52 2.765 7.083 4.952 1.00 0.00 C ATOM 838 CD1 TYR A 52 1.836 8.038 4.567 1.00 0.00 C ATOM 839 CD2 TYR A 52 4.055 7.185 4.455 1.00 0.00 C ATOM 840 CE1 TYR A 52 2.180 9.063 3.707 1.00 0.00 C ATOM 841 CE2 TYR A 52 4.411 8.206 3.595 1.00 0.00 C ATOM 842 CZ TYR A 52 3.470 9.144 3.224 1.00 0.00 C ATOM 843 OH TYR A 52 3.819 10.163 2.369 1.00 0.00 O ATOM 0 H TYR A 52 3.227 4.216 3.747 1.00 0.00 H new ATOM 0 HA TYR A 52 1.252 4.138 5.919 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.652 6.338 6.612 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.262 5.662 6.462 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.826 7.979 4.946 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.795 6.454 4.745 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.443 9.797 3.414 1.00 0.00 H new ATOM 0 HE2 TYR A 52 5.420 8.269 3.215 1.00 0.00 H new ATOM 0 HH TYR A 52 4.764 10.075 2.124 1.00 0.00 H new ATOM 853 N ARG A 53 -0.404 5.462 4.494 1.00 0.00 N ATOM 854 CA ARG A 53 -1.460 5.772 3.538 1.00 0.00 C ATOM 855 C ARG A 53 -1.843 7.246 3.600 1.00 0.00 C ATOM 856 O ARG A 53 -1.833 7.855 4.670 1.00 0.00 O ATOM 857 CB ARG A 53 -2.675 4.873 3.713 1.00 0.00 C ATOM 858 CG ARG A 53 -3.840 5.185 2.786 1.00 0.00 C ATOM 859 CD ARG A 53 -5.050 4.358 3.026 1.00 0.00 C ATOM 860 NE ARG A 53 -5.494 4.325 4.410 1.00 0.00 N ATOM 861 CZ ARG A 53 -5.434 3.240 5.207 1.00 0.00 C ATOM 862 NH1 ARG A 53 -4.987 2.090 4.753 1.00 0.00 N ATOM 863 NH2 ARG A 53 -5.861 3.357 6.453 1.00 0.00 N ATOM 0 H ARG A 53 -0.698 5.492 5.470 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.061 5.572 2.544 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.370 3.839 3.554 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.020 4.949 4.744 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.105 6.237 2.896 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.516 5.044 1.755 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.862 4.737 2.406 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.848 3.338 2.698 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.878 5.183 4.805 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.679 2.009 3.784 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.948 1.279 5.370 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.223 4.250 6.786 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.829 2.554 7.081 1.00 0.00 H new ATOM 877 N LYS A 54 -2.181 7.813 2.447 1.00 0.00 N ATOM 878 CA LYS A 54 -2.720 9.166 2.387 1.00 0.00 C ATOM 879 C LYS A 54 -3.781 9.290 1.302 1.00 0.00 C ATOM 880 O LYS A 54 -3.790 8.521 0.338 1.00 0.00 O ATOM 881 CB LYS A 54 -1.600 10.179 2.146 1.00 0.00 C ATOM 882 CG LYS A 54 -0.868 10.003 0.822 1.00 0.00 C ATOM 883 CD LYS A 54 0.252 11.023 0.670 1.00 0.00 C ATOM 884 CE LYS A 54 0.975 10.855 -0.659 1.00 0.00 C ATOM 885 NZ LYS A 54 2.017 11.901 -0.861 1.00 0.00 N ATOM 0 H LYS A 54 -2.091 7.355 1.540 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.189 9.380 3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.021 11.184 2.184 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.878 10.105 2.959 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.456 8.996 0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.573 10.108 -0.003 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.159 12.030 0.738 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.962 10.912 1.490 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.438 9.869 -0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.252 10.900 -1.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.486 11.751 -1.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.572 12.841 -0.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.721 11.842 -0.098 1.00 0.00 H new ATOM 899 N TRP A 55 -4.675 10.258 1.461 1.00 0.00 N ATOM 900 CA TRP A 55 -5.761 10.464 0.510 1.00 0.00 C ATOM 901 C TRP A 55 -5.373 11.475 -0.561 1.00 0.00 C ATOM 902 O TRP A 55 -4.894 12.567 -0.253 1.00 0.00 O ATOM 903 CB TRP A 55 -7.024 10.930 1.238 1.00 0.00 C ATOM 904 CG TRP A 55 -7.661 9.862 2.074 1.00 0.00 C ATOM 905 CD1 TRP A 55 -7.540 9.703 3.423 1.00 0.00 C ATOM 906 CD2 TRP A 55 -8.517 8.807 1.621 1.00 0.00 C ATOM 907 NE1 TRP A 55 -8.265 8.614 3.838 1.00 0.00 N ATOM 908 CE2 TRP A 55 -8.876 8.047 2.748 1.00 0.00 C ATOM 909 CE3 TRP A 55 -9.014 8.431 0.367 1.00 0.00 C ATOM 910 CZ2 TRP A 55 -9.704 6.938 2.665 1.00 0.00 C ATOM 911 CZ3 TRP A 55 -9.845 7.320 0.283 1.00 0.00 C ATOM 912 CH2 TRP A 55 -10.180 6.596 1.398 1.00 0.00 C ATOM 0 H TRP A 55 -4.669 10.915 2.242 1.00 0.00 H new ATOM 0 HA TRP A 55 -5.962 9.511 0.021 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.774 11.778 1.875 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -7.747 11.285 0.504 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.958 10.342 4.071 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.338 8.281 4.799 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -8.756 8.994 -0.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -9.969 6.365 3.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -10.234 7.021 -0.679 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -10.829 5.739 1.293 1.00 0.00 H new ATOM 923 N ARG A 56 -5.582 11.105 -1.819 1.00 0.00 N ATOM 924 CA ARG A 56 -5.346 12.014 -2.934 1.00 0.00 C ATOM 925 C ARG A 56 -6.645 12.353 -3.653 1.00 0.00 C ATOM 926 O ARG A 56 -7.287 11.481 -4.237 1.00 0.00 O ATOM 927 CB ARG A 56 -4.298 11.479 -3.900 1.00 0.00 C ATOM 928 CG ARG A 56 -4.037 12.357 -5.111 1.00 0.00 C ATOM 929 CD ARG A 56 -3.036 11.808 -6.062 1.00 0.00 C ATOM 930 NE ARG A 56 -1.679 11.752 -5.543 1.00 0.00 N ATOM 931 CZ ARG A 56 -0.787 12.760 -5.622 1.00 0.00 C ATOM 932 NH1 ARG A 56 -1.089 13.887 -6.229 1.00 0.00 N ATOM 933 NH2 ARG A 56 0.411 12.577 -5.093 1.00 0.00 N ATOM 0 H ARG A 56 -5.915 10.180 -2.093 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.946 12.937 -2.515 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.362 11.344 -3.359 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.612 10.494 -4.245 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.977 12.513 -5.641 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.698 13.335 -4.769 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.342 10.803 -6.352 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.041 12.416 -6.966 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.381 10.890 -5.087 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.010 14.009 -6.649 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.402 14.639 -6.279 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.639 11.692 -4.641 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.107 13.321 -5.137 1.00 0.00 H new ATOM 947 N HIS A 57 -7.026 13.625 -3.609 1.00 0.00 N ATOM 948 CA HIS A 57 -8.224 14.090 -4.296 1.00 0.00 C ATOM 949 C HIS A 57 -8.036 14.072 -5.807 1.00 0.00 C ATOM 950 O HIS A 57 -7.014 14.527 -6.321 1.00 0.00 O ATOM 951 CB HIS A 57 -8.599 15.502 -3.834 1.00 0.00 C ATOM 952 CG HIS A 57 -9.944 15.956 -4.312 1.00 0.00 C ATOM 953 ND1 HIS A 57 -10.146 16.483 -5.571 1.00 0.00 N ATOM 954 CD2 HIS A 57 -11.153 15.960 -3.703 1.00 0.00 C ATOM 955 CE1 HIS A 57 -11.423 16.793 -5.715 1.00 0.00 C ATOM 956 NE2 HIS A 57 -12.053 16.485 -4.595 1.00 0.00 N ATOM 0 H HIS A 57 -6.521 14.353 -3.104 1.00 0.00 H new ATOM 0 HA HIS A 57 -9.035 13.407 -4.042 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.581 15.535 -2.745 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.842 16.203 -4.187 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -11.368 15.615 -2.703 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.874 17.224 -6.597 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -13.049 16.617 -4.422 1.00 0.00 H new ATOM 964 N PHE A 58 -9.028 13.541 -6.515 1.00 0.00 N ATOM 965 CA PHE A 58 -8.959 13.432 -7.968 1.00 0.00 C ATOM 966 C PHE A 58 -10.351 13.330 -8.578 1.00 0.00 C ATOM 967 O PHE A 58 -11.104 12.403 -8.279 1.00 0.00 O ATOM 968 CB PHE A 58 -8.115 12.223 -8.374 1.00 0.00 C ATOM 969 CG PHE A 58 -7.965 12.060 -9.860 1.00 0.00 C ATOM 970 CD1 PHE A 58 -7.152 12.917 -10.587 1.00 0.00 C ATOM 971 CD2 PHE A 58 -8.638 11.053 -10.534 1.00 0.00 C ATOM 972 CE1 PHE A 58 -7.013 12.768 -11.954 1.00 0.00 C ATOM 973 CE2 PHE A 58 -8.501 10.901 -11.899 1.00 0.00 C ATOM 974 CZ PHE A 58 -7.687 11.761 -12.611 1.00 0.00 C ATOM 0 H PHE A 58 -9.889 13.179 -6.106 1.00 0.00 H new ATOM 0 HA PHE A 58 -8.486 14.337 -8.350 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -7.126 12.316 -7.926 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -8.568 11.321 -7.963 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.622 13.709 -10.079 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -9.278 10.379 -9.984 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.376 13.441 -12.508 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -9.030 10.110 -12.410 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.579 11.645 -13.679 1.00 0.00 H new ATOM 984 N SER A 59 -10.687 14.287 -9.435 1.00 0.00 N ATOM 985 CA SER A 59 -11.954 14.259 -10.156 1.00 0.00 C ATOM 986 C SER A 59 -13.134 14.191 -9.195 1.00 0.00 C ATOM 987 O SER A 59 -14.147 13.554 -9.483 1.00 0.00 O ATOM 988 CB SER A 59 -11.985 13.083 -11.114 1.00 0.00 C ATOM 989 OG SER A 59 -10.969 13.161 -12.075 1.00 0.00 O ATOM 0 H SER A 59 -10.099 15.093 -9.648 1.00 0.00 H new ATOM 0 HA SER A 59 -12.039 15.184 -10.727 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.882 12.155 -10.552 1.00 0.00 H new ATOM 0 HB3 SER A 59 -12.954 13.047 -11.613 1.00 0.00 H new ATOM 0 HG SER A 59 -10.272 12.504 -11.868 1.00 0.00 H new ATOM 995 N GLY A 60 -12.996 14.853 -8.050 1.00 0.00 N ATOM 996 CA GLY A 60 -14.105 15.006 -7.116 1.00 0.00 C ATOM 997 C GLY A 60 -14.125 13.877 -6.094 1.00 0.00 C ATOM 998 O GLY A 60 -14.996 13.827 -5.225 1.00 0.00 O ATOM 0 H GLY A 60 -12.126 15.292 -7.747 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.021 15.964 -6.602 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.047 15.020 -7.665 1.00 0.00 H new ATOM 1002 N ARG A 61 -13.158 12.971 -6.201 1.00 0.00 N ATOM 1003 CA ARG A 61 -13.098 11.808 -5.325 1.00 0.00 C ATOM 1004 C ARG A 61 -11.684 11.577 -4.811 1.00 0.00 C ATOM 1005 O ARG A 61 -10.718 11.642 -5.572 1.00 0.00 O ATOM 1006 CB ARG A 61 -13.660 10.559 -5.989 1.00 0.00 C ATOM 1007 CG ARG A 61 -15.140 10.627 -6.331 1.00 0.00 C ATOM 1008 CD ARG A 61 -16.041 10.636 -5.149 1.00 0.00 C ATOM 1009 NE ARG A 61 -17.458 10.614 -5.472 1.00 0.00 N ATOM 1010 CZ ARG A 61 -18.204 11.708 -5.721 1.00 0.00 C ATOM 1011 NH1 ARG A 61 -17.683 12.912 -5.648 1.00 0.00 N ATOM 1012 NH2 ARG A 61 -19.481 11.538 -6.017 1.00 0.00 N ATOM 0 H ARG A 61 -12.405 13.021 -6.887 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.734 12.022 -4.466 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.099 10.368 -6.904 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.493 9.708 -5.329 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.324 11.525 -6.920 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.395 9.775 -6.961 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.810 9.773 -4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -15.830 11.525 -4.554 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.920 9.706 -5.513 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.700 13.028 -5.400 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -18.261 13.730 -5.839 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.876 10.598 -6.052 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -20.072 12.347 -6.210 1.00 0.00 H new ATOM 1026 N LYS A 62 -11.567 11.306 -3.515 1.00 0.00 N ATOM 1027 CA LYS A 62 -10.277 10.988 -2.913 1.00 0.00 C ATOM 1028 C LYS A 62 -9.984 9.495 -2.997 1.00 0.00 C ATOM 1029 O LYS A 62 -10.846 8.666 -2.704 1.00 0.00 O ATOM 1030 CB LYS A 62 -10.238 11.449 -1.456 1.00 0.00 C ATOM 1031 CG LYS A 62 -10.232 12.961 -1.274 1.00 0.00 C ATOM 1032 CD LYS A 62 -10.204 13.342 0.199 1.00 0.00 C ATOM 1033 CE LYS A 62 -10.220 14.853 0.381 1.00 0.00 C ATOM 1034 NZ LYS A 62 -10.216 15.240 1.818 1.00 0.00 N ATOM 0 H LYS A 62 -12.350 11.300 -2.861 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.508 11.519 -3.473 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.101 11.036 -0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.349 11.035 -0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.364 13.386 -1.778 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.116 13.389 -1.746 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.063 12.904 0.706 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.311 12.927 0.667 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.351 15.287 -0.114 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.104 15.268 -0.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.227 16.277 1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.058 14.847 2.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.360 14.867 2.276 1.00 0.00 H new ATOM 1048 N TYR A 63 -8.764 9.158 -3.401 1.00 0.00 N ATOM 1049 CA TYR A 63 -8.364 7.765 -3.550 1.00 0.00 C ATOM 1050 C TYR A 63 -7.189 7.428 -2.640 1.00 0.00 C ATOM 1051 O TYR A 63 -6.379 8.294 -2.310 1.00 0.00 O ATOM 1052 CB TYR A 63 -8.001 7.464 -5.006 1.00 0.00 C ATOM 1053 CG TYR A 63 -9.148 7.650 -5.974 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -10.037 6.615 -6.231 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -9.341 8.857 -6.629 1.00 0.00 C ATOM 1056 CE1 TYR A 63 -11.086 6.779 -7.114 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -10.387 9.033 -7.513 1.00 0.00 C ATOM 1058 CZ TYR A 63 -11.258 7.990 -7.754 1.00 0.00 C ATOM 1059 OH TYR A 63 -12.302 8.158 -8.635 1.00 0.00 O ATOM 0 H TYR A 63 -8.034 9.832 -3.631 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.211 7.144 -3.259 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.177 8.111 -5.306 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.642 6.437 -5.076 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.906 5.666 -5.732 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.660 9.675 -6.444 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.769 5.964 -7.303 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.523 9.981 -8.013 1.00 0.00 H new ATOM 0 HH TYR A 63 -12.281 9.068 -8.998 1.00 0.00 H new ATOM 1069 N ARG A 64 -7.103 6.165 -2.235 1.00 0.00 N ATOM 1070 CA ARG A 64 -6.048 5.719 -1.334 1.00 0.00 C ATOM 1071 C ARG A 64 -4.707 5.638 -2.052 1.00 0.00 C ATOM 1072 O ARG A 64 -4.595 5.013 -3.108 1.00 0.00 O ATOM 1073 CB ARG A 64 -6.393 4.405 -0.650 1.00 0.00 C ATOM 1074 CG ARG A 64 -7.620 4.455 0.249 1.00 0.00 C ATOM 1075 CD ARG A 64 -8.004 3.146 0.835 1.00 0.00 C ATOM 1076 NE ARG A 64 -9.210 3.178 1.647 1.00 0.00 N ATOM 1077 CZ ARG A 64 -9.801 2.093 2.183 1.00 0.00 C ATOM 1078 NH1 ARG A 64 -9.324 0.887 1.966 1.00 0.00 N ATOM 1079 NH2 ARG A 64 -10.888 2.272 2.913 1.00 0.00 N ATOM 0 H ARG A 64 -7.753 5.431 -2.518 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.962 6.469 -0.548 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.551 3.644 -1.415 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.537 4.086 -0.055 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.434 5.161 1.058 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.461 4.843 -0.326 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.144 2.428 0.027 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.179 2.780 1.447 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.639 4.087 1.823 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.495 0.763 1.385 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.783 0.075 2.379 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.257 3.212 3.057 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.358 1.470 3.332 1.00 0.00 H new ATOM 1093 N GLU A 65 -3.692 6.271 -1.475 1.00 0.00 N ATOM 1094 CA GLU A 65 -2.336 6.190 -2.005 1.00 0.00 C ATOM 1095 C GLU A 65 -1.356 5.721 -0.940 1.00 0.00 C ATOM 1096 O GLU A 65 -1.326 6.255 0.168 1.00 0.00 O ATOM 1097 CB GLU A 65 -1.898 7.545 -2.564 1.00 0.00 C ATOM 1098 CG GLU A 65 -0.522 7.541 -3.217 1.00 0.00 C ATOM 1099 CD GLU A 65 -0.199 8.880 -3.818 1.00 0.00 C ATOM 1100 OE1 GLU A 65 -0.958 9.798 -3.621 1.00 0.00 O ATOM 1101 OE2 GLU A 65 0.862 9.016 -4.380 1.00 0.00 O ATOM 0 H GLU A 65 -3.783 6.847 -0.638 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.337 5.458 -2.812 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.634 7.877 -3.297 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.901 8.276 -1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.234 7.281 -2.476 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.487 6.774 -3.991 1.00 0.00 H new ATOM 1108 N TYR A 66 -0.552 4.718 -1.281 1.00 0.00 N ATOM 1109 CA TYR A 66 0.367 4.113 -0.325 1.00 0.00 C ATOM 1110 C TYR A 66 1.815 4.419 -0.685 1.00 0.00 C ATOM 1111 O TYR A 66 2.233 4.237 -1.827 1.00 0.00 O ATOM 1112 CB TYR A 66 0.152 2.599 -0.260 1.00 0.00 C ATOM 1113 CG TYR A 66 -1.182 2.195 0.330 1.00 0.00 C ATOM 1114 CD1 TYR A 66 -2.325 2.158 -0.453 1.00 0.00 C ATOM 1115 CD2 TYR A 66 -1.291 1.850 1.669 1.00 0.00 C ATOM 1116 CE1 TYR A 66 -3.545 1.789 0.082 1.00 0.00 C ATOM 1117 CE2 TYR A 66 -2.506 1.480 2.214 1.00 0.00 C ATOM 1118 CZ TYR A 66 -3.631 1.451 1.417 1.00 0.00 C ATOM 1119 OH TYR A 66 -4.843 1.083 1.954 1.00 0.00 O ATOM 0 H TYR A 66 -0.519 4.307 -2.214 1.00 0.00 H new ATOM 0 HA TYR A 66 0.160 4.543 0.655 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.234 2.187 -1.266 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.951 2.153 0.333 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.261 2.422 -1.498 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.412 1.871 2.296 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -4.426 1.765 -0.542 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.574 1.215 3.259 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.740 0.243 2.448 1.00 0.00 H new ATOM 1129 N CYS A 67 2.578 4.885 0.298 1.00 0.00 N ATOM 1130 CA CYS A 67 3.966 5.269 0.075 1.00 0.00 C ATOM 1131 C CYS A 67 4.909 4.469 0.966 1.00 0.00 C ATOM 1132 O CYS A 67 4.600 4.199 2.127 1.00 0.00 O ATOM 1133 CB CYS A 67 3.977 6.746 0.469 1.00 0.00 C ATOM 1134 SG CYS A 67 5.584 7.558 0.288 1.00 0.00 S ATOM 0 H CYS A 67 2.257 5.006 1.259 1.00 0.00 H new ATOM 0 HA CYS A 67 4.301 5.087 -0.946 1.00 0.00 H new ATOM 0 HB2 CYS A 67 3.245 7.277 -0.140 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.654 6.835 1.506 1.00 0.00 H new ATOM 0 HG CYS A 67 5.483 8.804 0.646 1.00 0.00 H new ATOM 1140 N LEU A 68 6.058 4.094 0.416 1.00 0.00 N ATOM 1141 CA LEU A 68 7.058 3.344 1.169 1.00 0.00 C ATOM 1142 C LEU A 68 7.806 4.248 2.142 1.00 0.00 C ATOM 1143 O LEU A 68 8.847 4.811 1.804 1.00 0.00 O ATOM 1144 CB LEU A 68 8.042 2.662 0.209 1.00 0.00 C ATOM 1145 CG LEU A 68 9.057 1.723 0.874 1.00 0.00 C ATOM 1146 CD1 LEU A 68 8.331 0.588 1.582 1.00 0.00 C ATOM 1147 CD2 LEU A 68 10.012 1.181 -0.178 1.00 0.00 C ATOM 0 H LEU A 68 6.321 4.297 -0.548 1.00 0.00 H new ATOM 0 HA LEU A 68 6.542 2.579 1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.473 2.094 -0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.587 3.433 -0.336 1.00 0.00 H new ATOM 0 HG LEU A 68 9.632 2.275 1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.060 -0.073 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.670 0.999 2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.743 0.024 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 68 10.733 0.514 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.449 0.631 -0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.540 2.009 -0.651 1.00 0.00 H new