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 7 SER OG : rot 180:sc= 0.299 USER MOD Set 1.2: A 10 GLN : amide:sc= 0.76 K(o=1.1,f=-3.8!) USER MOD Set 2.1: A 9 THR OG1 : rot -57:sc= 0.651 USER MOD Set 2.2: A 41 THR OG1 : rot 162:sc= 0.583 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0291 K(o=-0.029,f=-1.4!) USER MOD Single : A 21 CYS SG : rot 28:sc= -0.224 USER MOD Single : A 22 GLN : amide:sc= 2.15 K(o=2.2,f=-6.3!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -71:sc= 0.195 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 82:sc= 1.18 USER MOD Single : A 46 HIS : no HE2:sc= 0.933 K(o=0.93,f=-3.3!) USER MOD Single : A 47 GLN : amide:sc= -0.0749 X(o=-0.075,f=-0.22) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.62) USER MOD Single : A 59 SER OG : rot 107:sc= 0.692 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 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= -0.0692 USER MOD ----------------------------------------------------------------- ATOM 55 N LEU A 6 5.780 -14.056 -5.199 1.00 0.00 N ATOM 56 CA LEU A 6 5.684 -13.447 -3.877 1.00 0.00 C ATOM 57 C LEU A 6 4.232 -13.328 -3.430 1.00 0.00 C ATOM 58 O LEU A 6 3.320 -13.284 -4.255 1.00 0.00 O ATOM 59 CB LEU A 6 6.356 -12.068 -3.879 1.00 0.00 C ATOM 60 CG LEU A 6 7.842 -12.068 -4.253 1.00 0.00 C ATOM 61 CD1 LEU A 6 8.374 -10.641 -4.283 1.00 0.00 C ATOM 62 CD2 LEU A 6 8.620 -12.911 -3.254 1.00 0.00 C ATOM 0 HA LEU A 6 6.202 -14.093 -3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.822 -11.422 -4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.247 -11.627 -2.888 1.00 0.00 H new ATOM 0 HG LEU A 6 7.965 -12.499 -5.246 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.431 -10.652 -4.550 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.820 -10.061 -5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.253 -10.187 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.677 -12.910 -3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.499 -12.495 -2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.243 -13.934 -3.269 1.00 0.00 H new ATOM 74 N SER A 7 4.025 -13.276 -2.119 1.00 0.00 N ATOM 75 CA SER A 7 2.691 -13.080 -1.561 1.00 0.00 C ATOM 76 C SER A 7 2.176 -11.675 -1.843 1.00 0.00 C ATOM 77 O SER A 7 2.932 -10.800 -2.267 1.00 0.00 O ATOM 78 CB SER A 7 2.705 -13.349 -0.069 1.00 0.00 C ATOM 79 OG SER A 7 3.354 -12.332 0.643 1.00 0.00 O ATOM 0 H SER A 7 4.764 -13.367 -1.422 1.00 0.00 H new ATOM 0 HA SER A 7 2.015 -13.786 -2.042 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.681 -13.446 0.291 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.202 -14.300 0.123 1.00 0.00 H new ATOM 0 HG SER A 7 3.340 -12.542 1.600 1.00 0.00 H new ATOM 85 N LEU A 8 0.886 -11.464 -1.602 1.00 0.00 N ATOM 86 CA LEU A 8 0.274 -10.157 -1.805 1.00 0.00 C ATOM 87 C LEU A 8 0.841 -9.126 -0.838 1.00 0.00 C ATOM 88 O LEU A 8 0.997 -7.955 -1.184 1.00 0.00 O ATOM 89 CB LEU A 8 -1.249 -10.255 -1.648 1.00 0.00 C ATOM 90 CG LEU A 8 -1.970 -11.046 -2.746 1.00 0.00 C ATOM 91 CD1 LEU A 8 -3.451 -11.167 -2.417 1.00 0.00 C ATOM 92 CD2 LEU A 8 -1.769 -10.352 -4.087 1.00 0.00 C ATOM 0 H LEU A 8 0.244 -12.182 -1.266 1.00 0.00 H new ATOM 0 HA LEU A 8 0.506 -9.829 -2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.470 -10.717 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.661 -9.246 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.552 -12.051 -2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.954 -11.730 -3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.571 -11.685 -1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.890 -10.172 -2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.281 -10.914 -4.868 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.177 -9.342 -4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.704 -10.302 -4.315 1.00 0.00 H new ATOM 104 N THR A 9 1.148 -9.568 0.377 1.00 0.00 N ATOM 105 CA THR A 9 1.842 -8.728 1.346 1.00 0.00 C ATOM 106 C THR A 9 3.226 -8.337 0.846 1.00 0.00 C ATOM 107 O THR A 9 3.601 -7.165 0.879 1.00 0.00 O ATOM 108 CB THR A 9 1.978 -9.430 2.709 1.00 0.00 C ATOM 109 OG1 THR A 9 0.677 -9.639 3.275 1.00 0.00 O ATOM 110 CG2 THR A 9 2.812 -8.589 3.663 1.00 0.00 C ATOM 0 H THR A 9 0.927 -10.505 0.714 1.00 0.00 H new ATOM 0 HA THR A 9 1.238 -7.829 1.470 1.00 0.00 H new ATOM 0 HB THR A 9 2.474 -10.388 2.558 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.213 -8.780 3.354 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.897 -9.102 4.621 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.806 -8.440 3.242 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.331 -7.622 3.811 1.00 0.00 H new ATOM 118 N GLN A 10 3.984 -9.326 0.383 1.00 0.00 N ATOM 119 CA GLN A 10 5.318 -9.084 -0.151 1.00 0.00 C ATOM 120 C GLN A 10 5.265 -8.186 -1.381 1.00 0.00 C ATOM 121 O GLN A 10 6.122 -7.322 -1.567 1.00 0.00 O ATOM 122 CB GLN A 10 6.001 -10.407 -0.506 1.00 0.00 C ATOM 123 CG GLN A 10 6.405 -11.242 0.696 1.00 0.00 C ATOM 124 CD GLN A 10 6.917 -12.616 0.303 1.00 0.00 C ATOM 125 OE1 GLN A 10 6.153 -13.472 -0.150 1.00 0.00 O ATOM 126 NE2 GLN A 10 8.216 -12.833 0.476 1.00 0.00 N ATOM 0 H GLN A 10 3.696 -10.304 0.367 1.00 0.00 H new ATOM 0 HA GLN A 10 5.897 -8.577 0.621 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.328 -10.993 -1.132 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.889 -10.196 -1.102 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.178 -10.716 1.256 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.549 -11.353 1.361 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.810 -12.095 0.854 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.619 -13.737 0.231 1.00 0.00 H new ATOM 135 N LEU A 11 4.252 -8.395 -2.216 1.00 0.00 N ATOM 136 CA LEU A 11 4.109 -7.632 -3.450 1.00 0.00 C ATOM 137 C LEU A 11 3.853 -6.158 -3.161 1.00 0.00 C ATOM 138 O LEU A 11 4.367 -5.282 -3.854 1.00 0.00 O ATOM 139 CB LEU A 11 2.973 -8.213 -4.303 1.00 0.00 C ATOM 140 CG LEU A 11 2.780 -7.549 -5.672 1.00 0.00 C ATOM 141 CD1 LEU A 11 4.066 -7.639 -6.481 1.00 0.00 C ATOM 142 CD2 LEU A 11 1.631 -8.223 -6.405 1.00 0.00 C ATOM 0 H LEU A 11 3.518 -9.086 -2.060 1.00 0.00 H new ATOM 0 HA LEU A 11 5.044 -7.708 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.162 -9.276 -4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.041 -8.132 -3.743 1.00 0.00 H new ATOM 0 HG LEU A 11 2.538 -6.495 -5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.919 -7.165 -7.451 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.868 -7.131 -5.946 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.333 -8.686 -6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.494 -7.751 -7.378 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.858 -9.280 -6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.717 -8.121 -5.820 1.00 0.00 H new ATOM 154 N ILE A 12 3.056 -5.892 -2.130 1.00 0.00 N ATOM 155 CA ILE A 12 2.848 -4.530 -1.656 1.00 0.00 C ATOM 156 C ILE A 12 4.153 -3.905 -1.182 1.00 0.00 C ATOM 157 O ILE A 12 4.439 -2.744 -1.474 1.00 0.00 O ATOM 158 CB ILE A 12 1.821 -4.484 -0.510 1.00 0.00 C ATOM 159 CG1 ILE A 12 0.422 -4.822 -1.031 1.00 0.00 C ATOM 160 CG2 ILE A 12 1.827 -3.115 0.155 1.00 0.00 C ATOM 161 CD1 ILE A 12 -0.600 -5.044 0.061 1.00 0.00 C ATOM 0 H ILE A 12 2.544 -6.603 -1.608 1.00 0.00 H new ATOM 0 HA ILE A 12 2.463 -3.958 -2.501 1.00 0.00 H new ATOM 0 HB ILE A 12 2.100 -5.230 0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.080 -4.013 -1.677 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.481 -5.719 -1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.095 -3.100 0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.818 -2.911 0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.571 -2.352 -0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.566 -5.279 -0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.282 -5.873 0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.690 -4.141 0.664 1.00 0.00 H new ATOM 173 N LEU A 13 4.943 -4.682 -0.448 1.00 0.00 N ATOM 174 CA LEU A 13 6.226 -4.208 0.061 1.00 0.00 C ATOM 175 C LEU A 13 7.180 -3.875 -1.078 1.00 0.00 C ATOM 176 O LEU A 13 7.956 -2.923 -0.992 1.00 0.00 O ATOM 177 CB LEU A 13 6.846 -5.258 0.990 1.00 0.00 C ATOM 178 CG LEU A 13 6.049 -5.554 2.266 1.00 0.00 C ATOM 179 CD1 LEU A 13 6.674 -6.725 3.013 1.00 0.00 C ATOM 180 CD2 LEU A 13 6.015 -4.311 3.145 1.00 0.00 C ATOM 0 H LEU A 13 4.717 -5.643 -0.192 1.00 0.00 H new ATOM 0 HA LEU A 13 6.050 -3.294 0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.967 -6.187 0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.844 -4.925 1.274 1.00 0.00 H new ATOM 0 HG LEU A 13 5.027 -5.825 2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.101 -6.927 3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.668 -7.609 2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.701 -6.478 3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.448 -4.522 4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.033 -4.026 3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.540 -3.494 2.602 1.00 0.00 H new ATOM 192 N ILE A 14 7.120 -4.664 -2.145 1.00 0.00 N ATOM 193 CA ILE A 14 7.922 -4.407 -3.335 1.00 0.00 C ATOM 194 C ILE A 14 7.507 -3.104 -4.007 1.00 0.00 C ATOM 195 O ILE A 14 8.352 -2.331 -4.460 1.00 0.00 O ATOM 196 CB ILE A 14 7.807 -5.557 -4.353 1.00 0.00 C ATOM 197 CG1 ILE A 14 8.445 -6.831 -3.791 1.00 0.00 C ATOM 198 CG2 ILE A 14 8.460 -5.167 -5.670 1.00 0.00 C ATOM 199 CD1 ILE A 14 9.920 -6.696 -3.493 1.00 0.00 C ATOM 0 H ILE A 14 6.523 -5.488 -2.210 1.00 0.00 H new ATOM 0 HA ILE A 14 8.958 -4.329 -3.005 1.00 0.00 H new ATOM 0 HB ILE A 14 6.751 -5.754 -4.539 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.924 -7.114 -2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.301 -7.643 -4.504 1.00 0.00 H new ATOM 0 HG21 ILE A 14 8.370 -5.990 -6.379 1.00 0.00 H new ATOM 0 HG22 ILE A 14 7.964 -4.284 -6.075 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.514 -4.946 -5.502 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.299 -7.639 -3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 14 10.455 -6.444 -4.409 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.072 -5.907 -2.756 1.00 0.00 H new ATOM 211 N ARG A 15 6.202 -2.865 -4.068 1.00 0.00 N ATOM 212 CA ARG A 15 5.673 -1.649 -4.674 1.00 0.00 C ATOM 213 C ARG A 15 6.047 -0.419 -3.857 1.00 0.00 C ATOM 214 O ARG A 15 6.260 0.662 -4.407 1.00 0.00 O ATOM 215 CB ARG A 15 4.170 -1.729 -4.905 1.00 0.00 C ATOM 216 CG ARG A 15 3.587 -0.581 -5.715 1.00 0.00 C ATOM 217 CD ARG A 15 4.079 -0.507 -7.114 1.00 0.00 C ATOM 218 NE ARG A 15 3.521 0.588 -7.892 1.00 0.00 N ATOM 219 CZ ARG A 15 3.917 0.923 -9.135 1.00 0.00 C ATOM 220 NH1 ARG A 15 4.895 0.278 -9.731 1.00 0.00 N ATOM 221 NH2 ARG A 15 3.311 1.935 -9.731 1.00 0.00 N ATOM 0 H ARG A 15 5.490 -3.498 -3.705 1.00 0.00 H new ATOM 0 HA ARG A 15 6.137 -1.552 -5.655 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.944 -2.666 -5.414 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.669 -1.764 -3.937 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.501 -0.677 -5.729 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.818 0.358 -5.211 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.165 -0.409 -7.099 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.850 -1.447 -7.617 1.00 0.00 H new ATOM 0 HE ARG A 15 2.777 1.141 -7.466 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.366 -0.489 -9.252 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.182 0.545 -10.673 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.566 2.438 -9.250 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.588 2.213 -10.672 1.00 0.00 H new ATOM 235 N LEU A 16 6.124 -0.589 -2.541 1.00 0.00 N ATOM 236 CA LEU A 16 6.556 0.483 -1.653 1.00 0.00 C ATOM 237 C LEU A 16 8.011 0.857 -1.909 1.00 0.00 C ATOM 238 O LEU A 16 8.389 2.025 -1.806 1.00 0.00 O ATOM 239 CB LEU A 16 6.361 0.071 -0.190 1.00 0.00 C ATOM 240 CG LEU A 16 4.902 -0.002 0.279 1.00 0.00 C ATOM 241 CD1 LEU A 16 4.828 -0.636 1.662 1.00 0.00 C ATOM 242 CD2 LEU A 16 4.304 1.397 0.295 1.00 0.00 C ATOM 0 H LEU A 16 5.892 -1.461 -2.066 1.00 0.00 H new ATOM 0 HA LEU A 16 5.942 1.360 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.824 -0.904 -0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.895 0.779 0.444 1.00 0.00 H new ATOM 0 HG LEU A 16 4.329 -0.622 -0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.788 -0.683 1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.242 -1.644 1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.401 -0.036 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.267 1.346 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.874 2.028 0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.342 1.820 -0.709 1.00 0.00 H new ATOM 254 N SER A 17 8.822 -0.140 -2.243 1.00 0.00 N ATOM 255 CA SER A 17 10.215 0.097 -2.608 1.00 0.00 C ATOM 256 C SER A 17 10.322 0.753 -3.979 1.00 0.00 C ATOM 257 O SER A 17 11.168 1.619 -4.199 1.00 0.00 O ATOM 258 CB SER A 17 10.989 -1.207 -2.586 1.00 0.00 C ATOM 259 OG SER A 17 11.093 -1.735 -1.291 1.00 0.00 O ATOM 0 H SER A 17 8.540 -1.120 -2.269 1.00 0.00 H new ATOM 0 HA SER A 17 10.646 0.779 -1.875 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.497 -1.932 -3.234 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.987 -1.043 -2.992 1.00 0.00 H new ATOM 0 HG SER A 17 11.597 -2.575 -1.320 1.00 0.00 H new ATOM 265 N ASN A 18 9.459 0.334 -4.898 1.00 0.00 N ATOM 266 CA ASN A 18 9.475 0.858 -6.259 1.00 0.00 C ATOM 267 C ASN A 18 8.981 2.298 -6.302 1.00 0.00 C ATOM 268 O ASN A 18 9.522 3.128 -7.032 1.00 0.00 O ATOM 269 CB ASN A 18 8.652 -0.007 -7.196 1.00 0.00 C ATOM 270 CG ASN A 18 9.300 -1.321 -7.532 1.00 0.00 C ATOM 271 OD1 ASN A 18 10.517 -1.488 -7.402 1.00 0.00 O ATOM 272 ND2 ASN A 18 8.504 -2.230 -8.041 1.00 0.00 N ATOM 0 H ASN A 18 8.739 -0.368 -4.725 1.00 0.00 H new ATOM 0 HA ASN A 18 10.511 0.839 -6.598 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.680 -0.197 -6.741 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.469 0.544 -8.118 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.884 -3.124 -8.351 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.505 -2.043 -8.127 1.00 0.00 H new ATOM 279 N ARG A 19 7.951 2.588 -5.515 1.00 0.00 N ATOM 280 CA ARG A 19 7.317 3.900 -5.535 1.00 0.00 C ATOM 281 C ARG A 19 7.068 4.414 -4.123 1.00 0.00 C ATOM 282 O ARG A 19 6.536 3.696 -3.275 1.00 0.00 O ATOM 283 CB ARG A 19 6.041 3.910 -6.363 1.00 0.00 C ATOM 284 CG ARG A 19 6.240 3.639 -7.847 1.00 0.00 C ATOM 285 CD ARG A 19 6.962 4.714 -8.574 1.00 0.00 C ATOM 286 NE ARG A 19 7.091 4.492 -10.004 1.00 0.00 N ATOM 287 CZ ARG A 19 8.084 3.791 -10.583 1.00 0.00 C ATOM 288 NH1 ARG A 19 9.055 3.273 -9.865 1.00 0.00 N ATOM 289 NH2 ARG A 19 8.069 3.656 -11.899 1.00 0.00 N ATOM 0 H ARG A 19 7.537 1.930 -4.854 1.00 0.00 H new ATOM 0 HA ARG A 19 8.013 4.583 -6.022 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.358 3.163 -5.960 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.557 4.880 -6.247 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.790 2.705 -7.963 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.265 3.494 -8.312 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.442 5.658 -8.411 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.958 4.820 -8.144 1.00 0.00 H new ATOM 0 HE ARG A 19 6.379 4.896 -10.612 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.064 3.399 -8.853 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.800 2.745 -10.320 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.319 4.078 -12.446 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.808 3.130 -12.366 1.00 0.00 H new ATOM 303 N GLY A 20 7.455 5.660 -3.873 1.00 0.00 N ATOM 304 CA GLY A 20 7.340 6.248 -2.544 1.00 0.00 C ATOM 305 C GLY A 20 5.899 6.221 -2.053 1.00 0.00 C ATOM 306 O GLY A 20 5.628 5.845 -0.912 1.00 0.00 O ATOM 0 H GLY A 20 7.852 6.284 -4.576 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.975 5.703 -1.846 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.700 7.276 -2.566 1.00 0.00 H new ATOM 310 N CYS A 21 4.976 6.623 -2.920 1.00 0.00 N ATOM 311 CA CYS A 21 3.566 6.696 -2.559 1.00 0.00 C ATOM 312 C CYS A 21 2.680 6.204 -3.696 1.00 0.00 C ATOM 313 O CYS A 21 2.958 6.458 -4.868 1.00 0.00 O ATOM 314 CB CYS A 21 3.355 8.193 -2.322 1.00 0.00 C ATOM 315 SG CYS A 21 1.663 8.651 -1.875 1.00 0.00 S ATOM 0 H CYS A 21 5.180 6.904 -3.879 1.00 0.00 H new ATOM 0 HA CYS A 21 3.312 6.076 -1.699 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.028 8.521 -1.530 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.638 8.734 -3.225 1.00 0.00 H new ATOM 0 HG CYS A 21 1.085 7.649 -1.282 1.00 0.00 H new ATOM 321 N GLN A 22 1.611 5.496 -3.342 1.00 0.00 N ATOM 322 CA GLN A 22 0.679 4.971 -4.332 1.00 0.00 C ATOM 323 C GLN A 22 -0.762 5.108 -3.859 1.00 0.00 C ATOM 324 O GLN A 22 -1.040 5.057 -2.660 1.00 0.00 O ATOM 325 CB GLN A 22 0.987 3.500 -4.630 1.00 0.00 C ATOM 326 CG GLN A 22 2.334 3.270 -5.294 1.00 0.00 C ATOM 327 CD GLN A 22 2.320 3.622 -6.769 1.00 0.00 C ATOM 328 OE1 GLN A 22 1.809 2.863 -7.597 1.00 0.00 O ATOM 329 NE2 GLN A 22 2.886 4.774 -7.107 1.00 0.00 N ATOM 0 H GLN A 22 1.370 5.273 -2.376 1.00 0.00 H new ATOM 0 HA GLN A 22 0.800 5.556 -5.244 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.953 2.937 -3.697 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.204 3.099 -5.273 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.092 3.868 -4.788 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.621 2.225 -5.175 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.297 5.371 -6.389 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.910 5.063 -8.085 1.00 0.00 H new ATOM 338 N THR A 23 -1.677 5.281 -4.807 1.00 0.00 N ATOM 339 CA THR A 23 -3.101 5.338 -4.497 1.00 0.00 C ATOM 340 C THR A 23 -3.685 3.941 -4.335 1.00 0.00 C ATOM 341 O THR A 23 -3.338 3.022 -5.078 1.00 0.00 O ATOM 342 CB THR A 23 -3.887 6.088 -5.587 1.00 0.00 C ATOM 343 OG1 THR A 23 -3.343 7.406 -5.751 1.00 0.00 O ATOM 344 CG2 THR A 23 -5.356 6.196 -5.208 1.00 0.00 C ATOM 0 H THR A 23 -1.457 5.384 -5.798 1.00 0.00 H new ATOM 0 HA THR A 23 -3.196 5.880 -3.556 1.00 0.00 H new ATOM 0 HB THR A 23 -3.803 5.532 -6.521 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.843 7.882 -6.446 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.895 6.729 -5.991 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.777 5.197 -5.093 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.450 6.739 -4.268 1.00 0.00 H new ATOM 352 N LEU A 24 -4.576 3.787 -3.361 1.00 0.00 N ATOM 353 CA LEU A 24 -5.185 2.493 -3.078 1.00 0.00 C ATOM 354 C LEU A 24 -5.646 1.810 -4.360 1.00 0.00 C ATOM 355 O LEU A 24 -5.389 0.623 -4.568 1.00 0.00 O ATOM 356 CB LEU A 24 -6.364 2.662 -2.110 1.00 0.00 C ATOM 357 CG LEU A 24 -7.117 1.371 -1.766 1.00 0.00 C ATOM 358 CD1 LEU A 24 -6.172 0.377 -1.105 1.00 0.00 C ATOM 359 CD2 LEU A 24 -8.288 1.694 -0.850 1.00 0.00 C ATOM 0 H LEU A 24 -4.892 4.543 -2.754 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.431 1.859 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.994 3.105 -1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.070 3.371 -2.543 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.502 0.919 -2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.715 -0.537 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.354 0.144 -1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.769 0.811 -0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.823 0.776 -0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.917 2.153 0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.964 2.385 -1.354 1.00 0.00 H new ATOM 371 N GLU A 25 -6.327 2.563 -5.216 1.00 0.00 N ATOM 372 CA GLU A 25 -6.844 2.025 -6.467 1.00 0.00 C ATOM 373 C GLU A 25 -5.711 1.618 -7.402 1.00 0.00 C ATOM 374 O GLU A 25 -5.828 0.645 -8.146 1.00 0.00 O ATOM 375 CB GLU A 25 -7.752 3.047 -7.155 1.00 0.00 C ATOM 376 CG GLU A 25 -9.088 3.270 -6.461 1.00 0.00 C ATOM 377 CD GLU A 25 -9.891 4.336 -7.152 1.00 0.00 C ATOM 378 OE1 GLU A 25 -9.390 4.922 -8.082 1.00 0.00 O ATOM 379 OE2 GLU A 25 -11.044 4.488 -6.825 1.00 0.00 O ATOM 0 H GLU A 25 -6.534 3.550 -5.065 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.427 1.135 -6.231 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.225 3.999 -7.217 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.938 2.719 -8.178 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.653 2.338 -6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.918 3.555 -5.423 1.00 0.00 H new ATOM 386 N GLU A 26 -4.616 2.369 -7.357 1.00 0.00 N ATOM 387 CA GLU A 26 -3.437 2.050 -8.153 1.00 0.00 C ATOM 388 C GLU A 26 -2.809 0.737 -7.707 1.00 0.00 C ATOM 389 O GLU A 26 -2.349 -0.055 -8.529 1.00 0.00 O ATOM 390 CB GLU A 26 -2.409 3.182 -8.066 1.00 0.00 C ATOM 391 CG GLU A 26 -2.791 4.438 -8.834 1.00 0.00 C ATOM 392 CD GLU A 26 -1.867 5.579 -8.511 1.00 0.00 C ATOM 393 OE1 GLU A 26 -1.059 5.431 -7.624 1.00 0.00 O ATOM 394 OE2 GLU A 26 -1.888 6.555 -9.223 1.00 0.00 O ATOM 0 H GLU A 26 -4.521 3.203 -6.778 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.755 1.940 -9.190 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.261 3.442 -7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.453 2.818 -8.442 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.761 4.235 -9.905 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.816 4.718 -8.591 1.00 0.00 H new ATOM 401 N LEU A 27 -2.791 0.511 -6.397 1.00 0.00 N ATOM 402 CA LEU A 27 -2.318 -0.752 -5.844 1.00 0.00 C ATOM 403 C LEU A 27 -3.229 -1.905 -6.243 1.00 0.00 C ATOM 404 O LEU A 27 -2.760 -2.996 -6.566 1.00 0.00 O ATOM 405 CB LEU A 27 -2.216 -0.657 -4.315 1.00 0.00 C ATOM 406 CG LEU A 27 -1.694 -1.918 -3.616 1.00 0.00 C ATOM 407 CD1 LEU A 27 -0.269 -2.210 -4.063 1.00 0.00 C ATOM 408 CD2 LEU A 27 -1.759 -1.727 -2.108 1.00 0.00 C ATOM 0 H LEU A 27 -3.099 1.187 -5.698 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.328 -0.950 -6.254 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.561 0.177 -4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.202 -0.421 -3.915 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.317 -2.770 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.093 -3.107 -3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.251 -2.365 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.373 -1.367 -3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.388 -2.624 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.144 -0.873 -1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.791 -1.547 -1.808 1.00 0.00 H new ATOM 420 N GLU A 28 -4.534 -1.655 -6.220 1.00 0.00 N ATOM 421 CA GLU A 28 -5.510 -2.648 -6.654 1.00 0.00 C ATOM 422 C GLU A 28 -5.242 -3.096 -8.086 1.00 0.00 C ATOM 423 O GLU A 28 -5.295 -4.287 -8.393 1.00 0.00 O ATOM 424 CB GLU A 28 -6.930 -2.089 -6.537 1.00 0.00 C ATOM 425 CG GLU A 28 -8.026 -3.068 -6.936 1.00 0.00 C ATOM 426 CD GLU A 28 -9.389 -2.446 -6.799 1.00 0.00 C ATOM 427 OE1 GLU A 28 -9.466 -1.312 -6.392 1.00 0.00 O ATOM 428 OE2 GLU A 28 -10.344 -3.065 -7.205 1.00 0.00 O ATOM 0 H GLU A 28 -4.940 -0.774 -5.906 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.415 -3.516 -6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.099 -1.773 -5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.010 -1.199 -7.161 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.872 -3.390 -7.966 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.966 -3.959 -6.311 1.00 0.00 H new ATOM 435 N GLU A 29 -4.954 -2.136 -8.956 1.00 0.00 N ATOM 436 CA GLU A 29 -4.651 -2.434 -10.352 1.00 0.00 C ATOM 437 C GLU A 29 -3.285 -3.095 -10.490 1.00 0.00 C ATOM 438 O GLU A 29 -3.091 -3.969 -11.336 1.00 0.00 O ATOM 439 CB GLU A 29 -4.705 -1.158 -11.195 1.00 0.00 C ATOM 440 CG GLU A 29 -6.102 -0.580 -11.372 1.00 0.00 C ATOM 441 CD GLU A 29 -6.061 0.733 -12.104 1.00 0.00 C ATOM 442 OE1 GLU A 29 -4.985 1.193 -12.400 1.00 0.00 O ATOM 443 OE2 GLU A 29 -7.107 1.221 -12.466 1.00 0.00 O ATOM 0 H GLU A 29 -4.924 -1.144 -8.720 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.405 -3.132 -10.716 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.069 -0.404 -10.732 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.285 -1.369 -12.178 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.723 -1.287 -11.923 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.567 -0.440 -10.396 1.00 0.00 H new ATOM 450 N PHE A 30 -2.342 -2.673 -9.656 1.00 0.00 N ATOM 451 CA PHE A 30 -0.997 -3.238 -9.672 1.00 0.00 C ATOM 452 C PHE A 30 -1.014 -4.714 -9.301 1.00 0.00 C ATOM 453 O PHE A 30 -0.393 -5.538 -9.971 1.00 0.00 O ATOM 454 CB PHE A 30 -0.083 -2.466 -8.717 1.00 0.00 C ATOM 455 CG PHE A 30 1.298 -3.043 -8.602 1.00 0.00 C ATOM 456 CD1 PHE A 30 2.226 -2.868 -9.617 1.00 0.00 C ATOM 457 CD2 PHE A 30 1.671 -3.766 -7.479 1.00 0.00 C ATOM 458 CE1 PHE A 30 3.498 -3.399 -9.512 1.00 0.00 C ATOM 459 CE2 PHE A 30 2.943 -4.297 -7.371 1.00 0.00 C ATOM 460 CZ PHE A 30 3.857 -4.115 -8.389 1.00 0.00 C ATOM 0 H PHE A 30 -2.483 -1.941 -8.960 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.609 -3.148 -10.687 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.008 -1.433 -9.056 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.541 -2.444 -7.728 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.952 -2.310 -10.500 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.960 -3.916 -6.680 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.211 -3.253 -10.310 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.222 -4.855 -6.489 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.850 -4.532 -8.307 1.00 0.00 H new ATOM 470 N THR A 31 -1.731 -5.043 -8.232 1.00 0.00 N ATOM 471 CA THR A 31 -1.763 -6.407 -7.721 1.00 0.00 C ATOM 472 C THR A 31 -2.866 -7.219 -8.388 1.00 0.00 C ATOM 473 O THR A 31 -2.783 -8.445 -8.472 1.00 0.00 O ATOM 474 CB THR A 31 -1.971 -6.436 -6.196 1.00 0.00 C ATOM 475 OG1 THR A 31 -3.259 -5.893 -5.877 1.00 0.00 O ATOM 476 CG2 THR A 31 -0.894 -5.621 -5.495 1.00 0.00 C ATOM 0 H THR A 31 -2.299 -4.382 -7.702 1.00 0.00 H new ATOM 0 HA THR A 31 -0.795 -6.851 -7.955 1.00 0.00 H new ATOM 0 HB THR A 31 -1.910 -7.470 -5.855 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.255 -4.926 -6.035 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.057 -5.653 -4.418 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.086 -6.038 -5.726 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.939 -4.587 -5.838 1.00 0.00 H new ATOM 484 N GLN A 32 -3.897 -6.531 -8.862 1.00 0.00 N ATOM 485 CA GLN A 32 -5.115 -7.190 -9.321 1.00 0.00 C ATOM 486 C GLN A 32 -5.701 -8.080 -8.232 1.00 0.00 C ATOM 487 O GLN A 32 -6.334 -9.095 -8.521 1.00 0.00 O ATOM 488 CB GLN A 32 -4.834 -8.022 -10.574 1.00 0.00 C ATOM 489 CG GLN A 32 -4.335 -7.214 -11.760 1.00 0.00 C ATOM 490 CD GLN A 32 -4.107 -8.070 -12.990 1.00 0.00 C ATOM 491 OE1 GLN A 32 -4.453 -9.254 -13.011 1.00 0.00 O ATOM 492 NE2 GLN A 32 -3.518 -7.477 -14.021 1.00 0.00 N ATOM 0 H GLN A 32 -3.915 -5.514 -8.939 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.842 -6.415 -9.562 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.094 -8.785 -10.331 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.747 -8.543 -10.862 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.058 -6.433 -11.994 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.404 -6.716 -11.490 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.249 -6.495 -13.959 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.335 -8.003 -14.875 1.00 0.00 H new ATOM 501 N ALA A 33 -5.487 -7.694 -6.979 1.00 0.00 N ATOM 502 CA ALA A 33 -5.971 -8.471 -5.845 1.00 0.00 C ATOM 503 C ALA A 33 -7.155 -7.784 -5.173 1.00 0.00 C ATOM 504 O ALA A 33 -7.419 -6.607 -5.414 1.00 0.00 O ATOM 505 CB ALA A 33 -4.850 -8.702 -4.843 1.00 0.00 C ATOM 0 H ALA A 33 -4.981 -6.846 -6.723 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.311 -9.437 -6.218 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.228 -9.284 -4.002 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.038 -9.246 -5.325 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.480 -7.742 -4.483 1.00 0.00 H new ATOM 511 N LYS A 34 -7.862 -8.527 -4.330 1.00 0.00 N ATOM 512 CA LYS A 34 -8.996 -7.982 -3.591 1.00 0.00 C ATOM 513 C LYS A 34 -8.586 -6.762 -2.777 1.00 0.00 C ATOM 514 O LYS A 34 -7.637 -6.816 -1.993 1.00 0.00 O ATOM 515 CB LYS A 34 -9.602 -9.046 -2.675 1.00 0.00 C ATOM 516 CG LYS A 34 -10.804 -8.572 -1.871 1.00 0.00 C ATOM 517 CD LYS A 34 -11.995 -8.283 -2.774 1.00 0.00 C ATOM 518 CE LYS A 34 -13.198 -7.816 -1.970 1.00 0.00 C ATOM 519 NZ LYS A 34 -14.361 -7.495 -2.842 1.00 0.00 N ATOM 0 H LYS A 34 -7.670 -9.511 -4.140 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.748 -7.672 -4.316 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.900 -9.902 -3.280 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.833 -9.395 -1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.076 -9.332 -1.138 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.540 -7.673 -1.315 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.724 -7.520 -3.504 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.256 -9.181 -3.334 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.482 -8.591 -1.258 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.926 -6.935 -1.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.159 -7.181 -2.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.099 -6.737 -3.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.638 -8.343 -3.377 1.00 0.00 H new ATOM 533 N ARG A 35 -9.304 -5.661 -2.969 1.00 0.00 N ATOM 534 CA ARG A 35 -8.995 -4.414 -2.277 1.00 0.00 C ATOM 535 C ARG A 35 -8.957 -4.615 -0.769 1.00 0.00 C ATOM 536 O ARG A 35 -8.065 -4.110 -0.087 1.00 0.00 O ATOM 537 CB ARG A 35 -9.944 -3.291 -2.667 1.00 0.00 C ATOM 538 CG ARG A 35 -9.582 -1.923 -2.107 1.00 0.00 C ATOM 539 CD ARG A 35 -10.540 -0.845 -2.457 1.00 0.00 C ATOM 540 NE ARG A 35 -10.698 -0.619 -3.884 1.00 0.00 N ATOM 541 CZ ARG A 35 -11.716 0.063 -4.443 1.00 0.00 C ATOM 542 NH1 ARG A 35 -12.688 0.556 -3.705 1.00 0.00 N ATOM 543 NH2 ARG A 35 -11.726 0.206 -5.757 1.00 0.00 N ATOM 0 H ARG A 35 -10.105 -5.606 -3.598 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.999 -4.109 -2.597 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.978 -3.225 -3.754 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -10.948 -3.551 -2.332 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.515 -1.994 -1.021 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.593 -1.645 -2.470 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.513 -1.089 -2.031 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.210 0.083 -1.989 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.988 -1.004 -4.506 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.678 0.424 -2.694 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.452 1.070 -4.144 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.976 -0.195 -6.319 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.484 0.718 -6.209 1.00 0.00 H new ATOM 557 N GLU A 36 -9.931 -5.356 -0.251 1.00 0.00 N ATOM 558 CA GLU A 36 -10.020 -5.613 1.183 1.00 0.00 C ATOM 559 C GLU A 36 -8.772 -6.321 1.693 1.00 0.00 C ATOM 560 O GLU A 36 -8.259 -6.000 2.764 1.00 0.00 O ATOM 561 CB GLU A 36 -11.264 -6.444 1.501 1.00 0.00 C ATOM 562 CG GLU A 36 -12.580 -5.694 1.337 1.00 0.00 C ATOM 563 CD GLU A 36 -13.757 -6.606 1.548 1.00 0.00 C ATOM 564 OE1 GLU A 36 -13.548 -7.780 1.740 1.00 0.00 O ATOM 565 OE2 GLU A 36 -14.856 -6.112 1.631 1.00 0.00 O ATOM 0 H GLU A 36 -10.671 -5.790 -0.803 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.098 -4.652 1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.276 -7.320 0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.192 -6.807 2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.623 -4.870 2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.630 -5.256 0.340 1.00 0.00 H new ATOM 572 N VAL A 37 -8.288 -7.288 0.920 1.00 0.00 N ATOM 573 CA VAL A 37 -7.077 -8.018 1.274 1.00 0.00 C ATOM 574 C VAL A 37 -5.862 -7.100 1.279 1.00 0.00 C ATOM 575 O VAL A 37 -4.983 -7.220 2.134 1.00 0.00 O ATOM 576 CB VAL A 37 -6.819 -9.189 0.306 1.00 0.00 C ATOM 577 CG1 VAL A 37 -5.450 -9.800 0.563 1.00 0.00 C ATOM 578 CG2 VAL A 37 -7.906 -10.243 0.446 1.00 0.00 C ATOM 0 H VAL A 37 -8.717 -7.584 0.043 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.232 -8.415 2.277 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.839 -8.805 -0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.284 -10.625 -0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.680 -9.043 0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.403 -10.170 1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.709 -11.063 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -7.915 -10.623 1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.875 -9.800 0.215 1.00 0.00 H new ATOM 588 N LEU A 38 -5.815 -6.181 0.320 1.00 0.00 N ATOM 589 CA LEU A 38 -4.744 -5.193 0.255 1.00 0.00 C ATOM 590 C LEU A 38 -4.777 -4.265 1.462 1.00 0.00 C ATOM 591 O LEU A 38 -3.733 -3.850 1.966 1.00 0.00 O ATOM 592 CB LEU A 38 -4.848 -4.386 -1.045 1.00 0.00 C ATOM 593 CG LEU A 38 -4.668 -5.197 -2.334 1.00 0.00 C ATOM 594 CD1 LEU A 38 -4.993 -4.331 -3.545 1.00 0.00 C ATOM 595 CD2 LEU A 38 -3.242 -5.720 -2.412 1.00 0.00 C ATOM 0 H LEU A 38 -6.508 -6.100 -0.424 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.791 -5.723 0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.823 -3.899 -1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.097 -3.596 -1.024 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.352 -6.046 -2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.862 -4.915 -4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.025 -3.987 -3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.324 -3.471 -3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.115 -6.296 -3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.546 -4.881 -2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.041 -6.358 -1.552 1.00 0.00 H new ATOM 607 N LEU A 39 -5.981 -3.941 1.920 1.00 0.00 N ATOM 608 CA LEU A 39 -6.153 -3.037 3.051 1.00 0.00 C ATOM 609 C LEU A 39 -5.688 -3.685 4.349 1.00 0.00 C ATOM 610 O LEU A 39 -5.215 -3.005 5.259 1.00 0.00 O ATOM 611 CB LEU A 39 -7.620 -2.605 3.166 1.00 0.00 C ATOM 612 CG LEU A 39 -8.104 -1.643 2.074 1.00 0.00 C ATOM 613 CD1 LEU A 39 -9.613 -1.462 2.170 1.00 0.00 C ATOM 614 CD2 LEU A 39 -7.392 -0.307 2.219 1.00 0.00 C ATOM 0 H LEU A 39 -6.854 -4.292 1.525 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.537 -2.155 2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.247 -3.496 3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.768 -2.132 4.137 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.871 -2.060 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.948 -0.777 1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.104 -2.427 2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.869 -1.052 3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.737 0.375 1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.611 0.118 3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.317 -0.455 2.120 1.00 0.00 H new ATOM 626 N VAL A 40 -5.825 -5.004 4.428 1.00 0.00 N ATOM 627 CA VAL A 40 -5.337 -5.758 5.577 1.00 0.00 C ATOM 628 C VAL A 40 -3.847 -5.528 5.792 1.00 0.00 C ATOM 629 O VAL A 40 -3.413 -5.203 6.897 1.00 0.00 O ATOM 630 CB VAL A 40 -5.595 -7.267 5.413 1.00 0.00 C ATOM 631 CG1 VAL A 40 -4.875 -8.052 6.501 1.00 0.00 C ATOM 632 CG2 VAL A 40 -7.088 -7.560 5.448 1.00 0.00 C ATOM 0 H VAL A 40 -6.271 -5.574 3.709 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.887 -5.398 6.447 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.204 -7.579 4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.068 -9.117 6.370 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.803 -7.867 6.434 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.238 -7.735 7.479 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.251 -8.631 5.331 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.501 -7.232 6.402 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.583 -7.026 4.636 1.00 0.00 H new ATOM 642 N THR A 41 -3.066 -5.701 4.730 1.00 0.00 N ATOM 643 CA THR A 41 -1.627 -5.480 4.793 1.00 0.00 C ATOM 644 C THR A 41 -1.306 -4.016 5.069 1.00 0.00 C ATOM 645 O THR A 41 -0.443 -3.703 5.889 1.00 0.00 O ATOM 646 CB THR A 41 -0.931 -5.910 3.489 1.00 0.00 C ATOM 647 OG1 THR A 41 -1.093 -7.322 3.301 1.00 0.00 O ATOM 648 CG2 THR A 41 0.551 -5.575 3.540 1.00 0.00 C ATOM 0 H THR A 41 -3.407 -5.994 3.815 1.00 0.00 H new ATOM 0 HA THR A 41 -1.252 -6.092 5.613 1.00 0.00 H new ATOM 0 HB THR A 41 -1.386 -5.372 2.657 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.916 -7.550 2.364 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.027 -5.886 2.610 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.677 -4.500 3.670 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.014 -6.098 4.377 1.00 0.00 H new ATOM 656 N LEU A 42 -2.005 -3.122 4.379 1.00 0.00 N ATOM 657 CA LEU A 42 -1.772 -1.690 4.521 1.00 0.00 C ATOM 658 C LEU A 42 -2.085 -1.218 5.935 1.00 0.00 C ATOM 659 O LEU A 42 -1.416 -0.334 6.469 1.00 0.00 O ATOM 660 CB LEU A 42 -2.612 -0.912 3.500 1.00 0.00 C ATOM 661 CG LEU A 42 -2.188 -1.087 2.037 1.00 0.00 C ATOM 662 CD1 LEU A 42 -3.227 -0.464 1.115 1.00 0.00 C ATOM 663 CD2 LEU A 42 -0.824 -0.448 1.822 1.00 0.00 C ATOM 0 H LEU A 42 -2.739 -3.365 3.714 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.716 -1.499 4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.653 -1.220 3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.568 0.148 3.750 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.118 -2.149 1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.917 -0.593 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.190 -0.951 1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.319 0.599 1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.524 -0.573 0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.879 0.615 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.091 -0.927 2.471 1.00 0.00 H new ATOM 675 N THR A 43 -3.108 -1.816 6.539 1.00 0.00 N ATOM 676 CA THR A 43 -3.485 -1.488 7.909 1.00 0.00 C ATOM 677 C THR A 43 -2.440 -1.980 8.901 1.00 0.00 C ATOM 678 O THR A 43 -2.097 -1.279 9.853 1.00 0.00 O ATOM 679 CB THR A 43 -4.853 -2.093 8.277 1.00 0.00 C ATOM 680 OG1 THR A 43 -5.870 -1.526 7.442 1.00 0.00 O ATOM 681 CG2 THR A 43 -5.185 -1.811 9.734 1.00 0.00 C ATOM 0 H THR A 43 -3.690 -2.530 6.101 1.00 0.00 H new ATOM 0 HA THR A 43 -3.551 -0.401 7.966 1.00 0.00 H new ATOM 0 HB THR A 43 -4.809 -3.172 8.126 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.887 -1.996 6.582 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.155 -2.245 9.977 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.420 -2.251 10.373 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.219 -0.734 9.898 1.00 0.00 H new ATOM 689 N ARG A 44 -1.938 -3.188 8.674 1.00 0.00 N ATOM 690 CA ARG A 44 -0.906 -3.763 9.528 1.00 0.00 C ATOM 691 C ARG A 44 0.393 -2.972 9.433 1.00 0.00 C ATOM 692 O ARG A 44 1.102 -2.805 10.426 1.00 0.00 O ATOM 693 CB ARG A 44 -0.680 -5.240 9.242 1.00 0.00 C ATOM 694 CG ARG A 44 -1.801 -6.158 9.703 1.00 0.00 C ATOM 695 CD ARG A 44 -1.603 -7.590 9.354 1.00 0.00 C ATOM 696 NE ARG A 44 -2.649 -8.477 9.834 1.00 0.00 N ATOM 697 CZ ARG A 44 -2.691 -9.804 9.605 1.00 0.00 C ATOM 698 NH1 ARG A 44 -1.771 -10.394 8.875 1.00 0.00 N ATOM 699 NH2 ARG A 44 -3.696 -10.494 10.115 1.00 0.00 N ATOM 0 H ARG A 44 -2.230 -3.790 7.904 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.266 -3.693 10.555 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.541 -5.371 8.169 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.247 -5.551 9.724 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.904 -6.071 10.785 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.738 -5.816 9.265 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.536 -7.681 8.270 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.648 -7.921 9.761 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.404 -8.066 10.383 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.011 -9.846 8.472 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.817 -11.400 8.711 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.413 -10.020 10.665 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.755 -11.500 9.959 1.00 0.00 H new ATOM 713 N LEU A 45 0.698 -2.488 8.235 1.00 0.00 N ATOM 714 CA LEU A 45 1.878 -1.659 8.020 1.00 0.00 C ATOM 715 C LEU A 45 1.747 -0.319 8.733 1.00 0.00 C ATOM 716 O LEU A 45 2.658 0.109 9.442 1.00 0.00 O ATOM 717 CB LEU A 45 2.111 -1.445 6.520 1.00 0.00 C ATOM 718 CG LEU A 45 2.585 -2.684 5.750 1.00 0.00 C ATOM 719 CD1 LEU A 45 2.613 -2.392 4.256 1.00 0.00 C ATOM 720 CD2 LEU A 45 3.965 -3.095 6.244 1.00 0.00 C ATOM 0 H LEU A 45 0.143 -2.656 7.396 1.00 0.00 H new ATOM 0 HA LEU A 45 2.738 -2.180 8.440 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.183 -1.091 6.071 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.849 -0.653 6.392 1.00 0.00 H new ATOM 0 HG LEU A 45 1.891 -3.506 5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.951 -3.278 3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.612 -2.123 3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.296 -1.566 4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.300 -3.975 5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.668 -2.278 6.082 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.916 -3.327 7.308 1.00 0.00 H new ATOM 732 N HIS A 46 0.609 0.339 8.540 1.00 0.00 N ATOM 733 CA HIS A 46 0.358 1.633 9.162 1.00 0.00 C ATOM 734 C HIS A 46 0.286 1.511 10.678 1.00 0.00 C ATOM 735 O HIS A 46 0.699 2.414 11.405 1.00 0.00 O ATOM 736 CB HIS A 46 -0.937 2.249 8.624 1.00 0.00 C ATOM 737 CG HIS A 46 -1.222 3.617 9.164 1.00 0.00 C ATOM 738 ND1 HIS A 46 -0.387 4.692 8.944 1.00 0.00 N ATOM 739 CD2 HIS A 46 -2.248 4.083 9.914 1.00 0.00 C ATOM 740 CE1 HIS A 46 -0.889 5.763 9.537 1.00 0.00 C ATOM 741 NE2 HIS A 46 -2.017 5.419 10.133 1.00 0.00 N ATOM 0 H HIS A 46 -0.155 -0.003 7.957 1.00 0.00 H new ATOM 0 HA HIS A 46 1.192 2.288 8.910 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -0.880 2.302 7.537 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.771 1.591 8.868 1.00 0.00 H new ATOM 0 HD1 HIS A 46 0.481 4.666 8.409 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.091 3.511 10.273 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -0.451 6.750 9.534 1.00 0.00 H new ATOM 749 N GLN A 47 -0.244 0.387 11.151 1.00 0.00 N ATOM 750 CA GLN A 47 -0.322 0.120 12.583 1.00 0.00 C ATOM 751 C GLN A 47 1.066 -0.006 13.197 1.00 0.00 C ATOM 752 O GLN A 47 1.310 0.469 14.305 1.00 0.00 O ATOM 753 CB GLN A 47 -1.123 -1.158 12.847 1.00 0.00 C ATOM 754 CG GLN A 47 -1.339 -1.465 14.318 1.00 0.00 C ATOM 755 CD GLN A 47 -2.155 -0.395 15.018 1.00 0.00 C ATOM 756 OE1 GLN A 47 -3.184 0.055 14.506 1.00 0.00 O ATOM 757 NE2 GLN A 47 -1.699 0.021 16.195 1.00 0.00 N ATOM 0 H GLN A 47 -0.626 -0.354 10.563 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.830 0.964 13.050 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.094 -1.072 12.359 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.607 -1.999 12.384 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.845 -2.426 14.415 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.372 -1.562 14.812 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.844 -0.379 16.581 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.204 0.740 16.713 1.00 0.00 H new ATOM 766 N ARG A 48 1.972 -0.651 12.469 1.00 0.00 N ATOM 767 CA ARG A 48 3.346 -0.818 12.929 1.00 0.00 C ATOM 768 C ARG A 48 4.167 0.439 12.675 1.00 0.00 C ATOM 769 O ARG A 48 5.241 0.617 13.250 1.00 0.00 O ATOM 770 CB ARG A 48 4.006 -2.049 12.326 1.00 0.00 C ATOM 771 CG ARG A 48 3.393 -3.375 12.747 1.00 0.00 C ATOM 772 CD ARG A 48 3.661 -3.754 14.158 1.00 0.00 C ATOM 773 NE ARG A 48 3.060 -5.013 14.568 1.00 0.00 N ATOM 774 CZ ARG A 48 3.212 -5.573 15.784 1.00 0.00 C ATOM 775 NH1 ARG A 48 3.972 -5.011 16.698 1.00 0.00 N ATOM 776 NH2 ARG A 48 2.596 -6.716 16.026 1.00 0.00 N ATOM 0 H ARG A 48 1.779 -1.067 11.558 1.00 0.00 H new ATOM 0 HA ARG A 48 3.308 -0.978 14.006 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.960 -1.973 11.240 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.061 -2.049 12.601 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.315 -3.328 12.595 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.773 -4.161 12.094 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.739 -3.815 14.306 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.294 -2.961 14.810 1.00 0.00 H new ATOM 0 HE ARG A 48 2.483 -5.507 13.887 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.457 -4.138 16.491 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.076 -5.448 17.614 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.024 -7.151 15.302 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.692 -7.164 16.937 1.00 0.00 H new ATOM 790 N GLY A 49 3.658 1.307 11.808 1.00 0.00 N ATOM 791 CA GLY A 49 4.261 2.618 11.595 1.00 0.00 C ATOM 792 C GLY A 49 5.197 2.604 10.393 1.00 0.00 C ATOM 793 O GLY A 49 6.058 3.473 10.255 1.00 0.00 O ATOM 0 H GLY A 49 2.829 1.127 11.241 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.478 3.361 11.441 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.813 2.917 12.486 1.00 0.00 H new ATOM 797 N VAL A 50 5.023 1.613 9.525 1.00 0.00 N ATOM 798 CA VAL A 50 5.858 1.481 8.338 1.00 0.00 C ATOM 799 C VAL A 50 5.457 2.485 7.267 1.00 0.00 C ATOM 800 O VAL A 50 6.311 3.096 6.623 1.00 0.00 O ATOM 801 CB VAL A 50 5.783 0.059 7.749 1.00 0.00 C ATOM 802 CG1 VAL A 50 6.600 -0.032 6.469 1.00 0.00 C ATOM 803 CG2 VAL A 50 6.268 -0.965 8.764 1.00 0.00 C ATOM 0 H VAL A 50 4.311 0.889 9.622 1.00 0.00 H new ATOM 0 HA VAL A 50 6.882 1.681 8.652 1.00 0.00 H new ATOM 0 HB VAL A 50 4.742 -0.159 7.510 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.535 -1.043 6.067 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.209 0.675 5.737 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.641 0.207 6.684 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.208 -1.963 8.331 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.302 -0.748 9.034 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.643 -0.918 9.655 1.00 0.00 H new ATOM 813 N ILE A 51 4.152 2.653 7.079 1.00 0.00 N ATOM 814 CA ILE A 51 3.635 3.565 6.064 1.00 0.00 C ATOM 815 C ILE A 51 2.680 4.582 6.675 1.00 0.00 C ATOM 816 O ILE A 51 2.203 4.407 7.797 1.00 0.00 O ATOM 817 CB ILE A 51 2.910 2.805 4.939 1.00 0.00 C ATOM 818 CG1 ILE A 51 1.686 2.070 5.493 1.00 0.00 C ATOM 819 CG2 ILE A 51 3.858 1.829 4.260 1.00 0.00 C ATOM 820 CD1 ILE A 51 0.819 1.440 4.427 1.00 0.00 C ATOM 0 H ILE A 51 3.433 2.169 7.616 1.00 0.00 H new ATOM 0 HA ILE A 51 4.494 4.086 5.641 1.00 0.00 H new ATOM 0 HB ILE A 51 2.571 3.527 4.196 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.021 1.294 6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.084 2.771 6.071 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.329 1.300 3.467 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.699 2.376 3.833 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.226 1.111 4.992 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.027 0.938 4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.453 2.213 3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.405 0.714 3.864 1.00 0.00 H new ATOM 832 N TYR A 52 2.403 5.648 5.930 1.00 0.00 N ATOM 833 CA TYR A 52 1.452 6.662 6.369 1.00 0.00 C ATOM 834 C TYR A 52 0.298 6.798 5.385 1.00 0.00 C ATOM 835 O TYR A 52 0.501 6.797 4.170 1.00 0.00 O ATOM 836 CB TYR A 52 2.153 8.011 6.543 1.00 0.00 C ATOM 837 CG TYR A 52 1.214 9.156 6.854 1.00 0.00 C ATOM 838 CD1 TYR A 52 0.669 9.306 8.120 1.00 0.00 C ATOM 839 CD2 TYR A 52 0.876 10.082 5.879 1.00 0.00 C ATOM 840 CE1 TYR A 52 -0.191 10.349 8.409 1.00 0.00 C ATOM 841 CE2 TYR A 52 0.018 11.128 6.155 1.00 0.00 C ATOM 842 CZ TYR A 52 -0.513 11.258 7.423 1.00 0.00 C ATOM 843 OH TYR A 52 -1.369 12.300 7.704 1.00 0.00 O ATOM 0 H TYR A 52 2.824 5.831 5.019 1.00 0.00 H new ATOM 0 HA TYR A 52 1.046 6.345 7.329 1.00 0.00 H new ATOM 0 HB2 TYR A 52 2.886 7.927 7.345 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.704 8.243 5.631 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.921 8.596 8.894 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.291 9.983 4.887 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.608 10.451 9.400 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.236 11.840 5.384 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.491 12.849 6.901 1.00 0.00 H new ATOM 853 N ARG A 53 -0.915 6.913 5.917 1.00 0.00 N ATOM 854 CA ARG A 53 -2.111 6.983 5.086 1.00 0.00 C ATOM 855 C ARG A 53 -2.720 8.378 5.115 1.00 0.00 C ATOM 856 O ARG A 53 -2.599 9.099 6.106 1.00 0.00 O ATOM 857 CB ARG A 53 -3.133 5.920 5.461 1.00 0.00 C ATOM 858 CG ARG A 53 -3.798 6.121 6.814 1.00 0.00 C ATOM 859 CD ARG A 53 -4.685 5.007 7.232 1.00 0.00 C ATOM 860 NE ARG A 53 -5.339 5.207 8.516 1.00 0.00 N ATOM 861 CZ ARG A 53 -6.074 4.274 9.153 1.00 0.00 C ATOM 862 NH1 ARG A 53 -6.283 3.093 8.615 1.00 0.00 N ATOM 863 NH2 ARG A 53 -6.602 4.588 10.324 1.00 0.00 N ATOM 0 H ARG A 53 -1.095 6.960 6.920 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.803 6.775 4.061 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.906 5.893 4.693 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.643 4.947 5.454 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.024 6.256 7.569 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.380 7.042 6.786 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.449 4.861 6.468 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.099 4.089 7.276 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.234 6.117 8.965 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.886 2.871 7.702 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.842 2.398 9.111 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.448 5.515 10.721 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.163 3.903 10.830 1.00 0.00 H new ATOM 877 N LYS A 54 -3.377 8.754 4.022 1.00 0.00 N ATOM 878 CA LYS A 54 -4.079 10.031 3.952 1.00 0.00 C ATOM 879 C LYS A 54 -5.192 9.990 2.912 1.00 0.00 C ATOM 880 O LYS A 54 -5.210 9.121 2.043 1.00 0.00 O ATOM 881 CB LYS A 54 -3.101 11.163 3.633 1.00 0.00 C ATOM 882 CG LYS A 54 -2.443 11.059 2.265 1.00 0.00 C ATOM 883 CD LYS A 54 -1.477 12.209 2.026 1.00 0.00 C ATOM 884 CE LYS A 54 -0.814 12.103 0.661 1.00 0.00 C ATOM 885 NZ LYS A 54 0.102 13.244 0.396 1.00 0.00 N ATOM 0 H LYS A 54 -3.438 8.192 3.173 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.530 10.218 4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.631 12.113 3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.323 11.181 4.396 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.910 10.112 2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.209 11.058 1.490 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.011 13.156 2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.713 12.212 2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.256 11.169 0.601 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.581 12.067 -0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.533 13.132 -0.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.434 14.134 0.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.849 13.264 1.119 1.00 0.00 H new ATOM 899 N TRP A 55 -6.119 10.938 3.008 1.00 0.00 N ATOM 900 CA TRP A 55 -7.246 11.003 2.087 1.00 0.00 C ATOM 901 C TRP A 55 -7.135 12.210 1.164 1.00 0.00 C ATOM 902 O TRP A 55 -7.195 13.354 1.615 1.00 0.00 O ATOM 903 CB TRP A 55 -8.564 11.052 2.860 1.00 0.00 C ATOM 904 CG TRP A 55 -8.964 9.732 3.447 1.00 0.00 C ATOM 905 CD1 TRP A 55 -9.893 8.867 2.953 1.00 0.00 C ATOM 906 CD2 TRP A 55 -8.446 9.129 4.640 1.00 0.00 C ATOM 907 NE1 TRP A 55 -9.988 7.762 3.763 1.00 0.00 N ATOM 908 CE2 TRP A 55 -9.107 7.899 4.805 1.00 0.00 C ATOM 909 CE3 TRP A 55 -7.484 9.512 5.584 1.00 0.00 C ATOM 910 CZ2 TRP A 55 -8.843 7.050 5.870 1.00 0.00 C ATOM 911 CZ3 TRP A 55 -7.219 8.661 6.650 1.00 0.00 C ATOM 912 CH2 TRP A 55 -7.878 7.465 6.789 1.00 0.00 C ATOM 0 H TRP A 55 -6.111 11.672 3.716 1.00 0.00 H new ATOM 0 HA TRP A 55 -7.228 10.103 1.473 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.479 11.786 3.661 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -9.354 11.398 2.194 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -10.471 9.027 2.055 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -10.612 6.969 3.614 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.959 10.450 5.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -9.361 6.109 5.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.480 8.946 7.384 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.644 6.829 7.630 1.00 0.00 H new ATOM 923 N ARG A 56 -6.975 11.948 -0.128 1.00 0.00 N ATOM 924 CA ARG A 56 -6.884 13.013 -1.120 1.00 0.00 C ATOM 925 C ARG A 56 -8.237 13.273 -1.774 1.00 0.00 C ATOM 926 O ARG A 56 -8.922 12.340 -2.193 1.00 0.00 O ATOM 927 CB ARG A 56 -5.807 12.742 -2.159 1.00 0.00 C ATOM 928 CG ARG A 56 -5.618 13.844 -3.188 1.00 0.00 C ATOM 929 CD ARG A 56 -4.539 13.582 -4.174 1.00 0.00 C ATOM 930 NE ARG A 56 -4.339 14.647 -5.146 1.00 0.00 N ATOM 931 CZ ARG A 56 -3.489 14.580 -6.189 1.00 0.00 C ATOM 932 NH1 ARG A 56 -2.733 13.523 -6.380 1.00 0.00 N ATOM 933 NH2 ARG A 56 -3.418 15.620 -7.002 1.00 0.00 N ATOM 0 H ARG A 56 -6.906 11.006 -0.514 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.588 13.918 -0.590 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.860 12.579 -1.645 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.050 11.816 -2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.556 13.989 -3.724 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.400 14.777 -2.668 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.605 13.417 -3.637 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.767 12.659 -4.707 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.880 15.504 -5.029 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.784 12.736 -5.733 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.095 13.489 -7.175 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.997 16.442 -6.830 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.784 15.600 -7.801 1.00 0.00 H new ATOM 947 N HIS A 57 -8.614 14.545 -1.858 1.00 0.00 N ATOM 948 CA HIS A 57 -9.898 14.926 -2.432 1.00 0.00 C ATOM 949 C HIS A 57 -9.787 15.150 -3.934 1.00 0.00 C ATOM 950 O HIS A 57 -8.862 15.811 -4.405 1.00 0.00 O ATOM 951 CB HIS A 57 -10.441 16.188 -1.752 1.00 0.00 C ATOM 952 CG HIS A 57 -11.841 16.532 -2.153 1.00 0.00 C ATOM 953 ND1 HIS A 57 -12.134 17.259 -3.287 1.00 0.00 N ATOM 954 CD2 HIS A 57 -13.030 16.249 -1.570 1.00 0.00 C ATOM 955 CE1 HIS A 57 -13.443 17.408 -3.386 1.00 0.00 C ATOM 956 NE2 HIS A 57 -14.010 16.805 -2.357 1.00 0.00 N ATOM 0 H HIS A 57 -8.047 15.329 -1.535 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.593 14.104 -2.259 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -10.405 16.052 -0.671 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -9.788 17.028 -1.989 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -13.180 15.691 -0.658 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -13.961 17.934 -4.174 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -15.013 16.759 -2.176 1.00 0.00 H new ATOM 964 N PHE A 58 -10.735 14.595 -4.682 1.00 0.00 N ATOM 965 CA PHE A 58 -10.719 14.694 -6.137 1.00 0.00 C ATOM 966 C PHE A 58 -12.114 14.497 -6.717 1.00 0.00 C ATOM 967 O PHE A 58 -12.735 13.453 -6.521 1.00 0.00 O ATOM 968 CB PHE A 58 -9.751 13.671 -6.732 1.00 0.00 C ATOM 969 CG PHE A 58 -9.654 13.729 -8.230 1.00 0.00 C ATOM 970 CD1 PHE A 58 -8.993 14.774 -8.858 1.00 0.00 C ATOM 971 CD2 PHE A 58 -10.226 12.740 -9.015 1.00 0.00 C ATOM 972 CE1 PHE A 58 -8.904 14.828 -10.235 1.00 0.00 C ATOM 973 CE2 PHE A 58 -10.138 12.790 -10.392 1.00 0.00 C ATOM 974 CZ PHE A 58 -9.476 13.837 -11.003 1.00 0.00 C ATOM 0 H PHE A 58 -11.525 14.072 -4.304 1.00 0.00 H new ATOM 0 HA PHE A 58 -10.380 15.696 -6.400 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.760 13.832 -6.306 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -10.067 12.671 -6.436 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -8.543 15.555 -8.263 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -10.747 11.920 -8.544 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.386 15.648 -10.710 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -10.586 12.011 -10.991 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.407 13.879 -12.080 1.00 0.00 H new ATOM 984 N SER A 59 -12.600 15.507 -7.431 1.00 0.00 N ATOM 985 CA SER A 59 -13.887 15.413 -8.111 1.00 0.00 C ATOM 986 C SER A 59 -15.009 15.110 -7.127 1.00 0.00 C ATOM 987 O SER A 59 -15.966 14.412 -7.460 1.00 0.00 O ATOM 988 CB SER A 59 -13.830 14.350 -9.192 1.00 0.00 C ATOM 989 OG SER A 59 -12.868 14.643 -10.168 1.00 0.00 O ATOM 0 H SER A 59 -12.122 16.400 -7.554 1.00 0.00 H new ATOM 0 HA SER A 59 -14.098 16.377 -8.573 1.00 0.00 H new ATOM 0 HB2 SER A 59 -13.604 13.385 -8.739 1.00 0.00 H new ATOM 0 HB3 SER A 59 -14.809 14.260 -9.663 1.00 0.00 H new ATOM 0 HG SER A 59 -12.098 14.047 -10.058 1.00 0.00 H new ATOM 995 N GLY A 60 -14.886 15.642 -5.916 1.00 0.00 N ATOM 996 CA GLY A 60 -15.946 15.531 -4.921 1.00 0.00 C ATOM 997 C GLY A 60 -15.847 14.220 -4.151 1.00 0.00 C ATOM 998 O GLY A 60 -16.660 13.943 -3.271 1.00 0.00 O ATOM 0 H GLY A 60 -14.063 16.154 -5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.885 16.369 -4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.917 15.594 -5.412 1.00 0.00 H new ATOM 1002 N ARG A 61 -14.842 13.418 -4.489 1.00 0.00 N ATOM 1003 CA ARG A 61 -14.672 12.105 -3.877 1.00 0.00 C ATOM 1004 C ARG A 61 -13.334 12.004 -3.155 1.00 0.00 C ATOM 1005 O ARG A 61 -12.354 12.631 -3.555 1.00 0.00 O ATOM 1006 CB ARG A 61 -14.851 10.976 -4.881 1.00 0.00 C ATOM 1007 CG ARG A 61 -16.247 10.857 -5.468 1.00 0.00 C ATOM 1008 CD ARG A 61 -16.401 9.770 -6.470 1.00 0.00 C ATOM 1009 NE ARG A 61 -17.742 9.638 -7.016 1.00 0.00 N ATOM 1010 CZ ARG A 61 -18.080 8.806 -8.019 1.00 0.00 C ATOM 1011 NH1 ARG A 61 -17.177 8.059 -8.615 1.00 0.00 N ATOM 1012 NH2 ARG A 61 -19.343 8.778 -8.408 1.00 0.00 N ATOM 0 H ARG A 61 -14.133 13.654 -5.183 1.00 0.00 H new ATOM 0 HA ARG A 61 -15.462 11.992 -3.134 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.141 11.118 -5.696 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.595 10.034 -4.396 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -16.956 10.690 -4.657 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.514 11.805 -5.935 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.705 9.947 -7.290 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.116 8.825 -6.008 1.00 0.00 H new ATOM 0 HE ARG A 61 -18.478 10.216 -6.611 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.202 8.104 -8.319 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -17.452 7.434 -9.373 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -20.031 9.376 -7.951 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -19.630 8.158 -9.165 1.00 0.00 H new ATOM 1026 N LYS A 62 -13.301 11.211 -2.089 1.00 0.00 N ATOM 1027 CA LYS A 62 -12.075 10.998 -1.330 1.00 0.00 C ATOM 1028 C LYS A 62 -11.401 9.693 -1.731 1.00 0.00 C ATOM 1029 O LYS A 62 -12.051 8.654 -1.841 1.00 0.00 O ATOM 1030 CB LYS A 62 -12.367 11.000 0.171 1.00 0.00 C ATOM 1031 CG LYS A 62 -12.791 12.353 0.727 1.00 0.00 C ATOM 1032 CD LYS A 62 -13.107 12.266 2.213 1.00 0.00 C ATOM 1033 CE LYS A 62 -13.573 13.606 2.760 1.00 0.00 C ATOM 1034 NZ LYS A 62 -13.926 13.526 4.204 1.00 0.00 N ATOM 0 H LYS A 62 -14.111 10.705 -1.731 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.394 11.818 -1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.153 10.274 0.377 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.476 10.665 0.703 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.996 13.081 0.564 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.667 12.712 0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.879 11.515 2.379 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.221 11.938 2.756 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.787 14.348 2.619 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.439 13.948 2.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.238 14.460 4.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.694 12.837 4.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.093 13.225 4.749 1.00 0.00 H new ATOM 1048 N TYR A 63 -10.090 9.752 -1.947 1.00 0.00 N ATOM 1049 CA TYR A 63 -9.327 8.578 -2.354 1.00 0.00 C ATOM 1050 C TYR A 63 -8.150 8.334 -1.419 1.00 0.00 C ATOM 1051 O TYR A 63 -7.367 9.244 -1.141 1.00 0.00 O ATOM 1052 CB TYR A 63 -8.830 8.734 -3.792 1.00 0.00 C ATOM 1053 CG TYR A 63 -9.940 8.865 -4.813 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -10.494 7.742 -5.408 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -10.428 10.112 -5.180 1.00 0.00 C ATOM 1056 CE1 TYR A 63 -11.507 7.855 -6.341 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -11.440 10.237 -6.111 1.00 0.00 C ATOM 1058 CZ TYR A 63 -11.978 9.105 -6.689 1.00 0.00 C ATOM 1059 OH TYR A 63 -12.986 9.223 -7.619 1.00 0.00 O ATOM 0 H TYR A 63 -9.534 10.601 -1.847 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.991 7.715 -2.300 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.189 9.614 -3.851 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.213 7.873 -4.049 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -10.128 6.763 -5.138 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.009 11.000 -4.729 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.928 6.970 -6.795 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.808 11.215 -6.385 1.00 0.00 H new ATOM 0 HH TYR A 63 -13.201 10.170 -7.750 1.00 0.00 H new ATOM 1069 N ARG A 64 -8.030 7.103 -0.936 1.00 0.00 N ATOM 1070 CA ARG A 64 -6.960 6.744 -0.011 1.00 0.00 C ATOM 1071 C ARG A 64 -5.615 6.674 -0.724 1.00 0.00 C ATOM 1072 O ARG A 64 -5.482 6.014 -1.755 1.00 0.00 O ATOM 1073 CB ARG A 64 -7.260 5.455 0.740 1.00 0.00 C ATOM 1074 CG ARG A 64 -8.416 5.541 1.722 1.00 0.00 C ATOM 1075 CD ARG A 64 -8.741 4.260 2.402 1.00 0.00 C ATOM 1076 NE ARG A 64 -9.877 4.328 3.306 1.00 0.00 N ATOM 1077 CZ ARG A 64 -10.363 3.283 4.004 1.00 0.00 C ATOM 1078 NH1 ARG A 64 -9.841 2.082 3.879 1.00 0.00 N ATOM 1079 NH2 ARG A 64 -11.395 3.491 4.802 1.00 0.00 N ATOM 0 H ARG A 64 -8.660 6.336 -1.169 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.901 7.537 0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.476 4.671 0.014 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.364 5.150 1.281 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.180 6.290 2.478 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.302 5.892 1.192 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.941 3.502 1.645 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.867 3.929 2.962 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.339 5.230 3.420 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.056 1.931 3.246 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.222 1.302 4.415 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.802 4.423 4.877 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.785 2.719 5.343 1.00 0.00 H new ATOM 1093 N GLU A 65 -4.622 7.359 -0.170 1.00 0.00 N ATOM 1094 CA GLU A 65 -3.249 7.233 -0.641 1.00 0.00 C ATOM 1095 C GLU A 65 -2.321 6.777 0.477 1.00 0.00 C ATOM 1096 O GLU A 65 -2.489 7.164 1.634 1.00 0.00 O ATOM 1097 CB GLU A 65 -2.757 8.562 -1.220 1.00 0.00 C ATOM 1098 CG GLU A 65 -3.461 8.987 -2.502 1.00 0.00 C ATOM 1099 CD GLU A 65 -2.839 10.226 -3.082 1.00 0.00 C ATOM 1100 OE1 GLU A 65 -1.917 10.737 -2.491 1.00 0.00 O ATOM 1101 OE2 GLU A 65 -3.209 10.600 -4.170 1.00 0.00 O ATOM 0 H GLU A 65 -4.743 8.008 0.607 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.236 6.476 -1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.890 9.342 -0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.687 8.486 -1.415 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.413 8.178 -3.231 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.516 9.169 -2.297 1.00 0.00 H new ATOM 1108 N TYR A 66 -1.341 5.951 0.128 1.00 0.00 N ATOM 1109 CA TYR A 66 -0.411 5.406 1.108 1.00 0.00 C ATOM 1110 C TYR A 66 1.034 5.685 0.714 1.00 0.00 C ATOM 1111 O TYR A 66 1.432 5.453 -0.428 1.00 0.00 O ATOM 1112 CB TYR A 66 -0.628 3.899 1.271 1.00 0.00 C ATOM 1113 CG TYR A 66 -1.993 3.532 1.808 1.00 0.00 C ATOM 1114 CD1 TYR A 66 -3.081 3.400 0.956 1.00 0.00 C ATOM 1115 CD2 TYR A 66 -2.190 3.313 3.164 1.00 0.00 C ATOM 1116 CE1 TYR A 66 -4.331 3.065 1.441 1.00 0.00 C ATOM 1117 CE2 TYR A 66 -3.435 2.977 3.659 1.00 0.00 C ATOM 1118 CZ TYR A 66 -4.504 2.853 2.793 1.00 0.00 C ATOM 1119 OH TYR A 66 -5.745 2.517 3.282 1.00 0.00 O ATOM 0 H TYR A 66 -1.170 5.644 -0.830 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.605 5.899 2.060 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.486 3.415 0.305 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.134 3.502 1.942 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.948 3.562 -0.104 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.356 3.407 3.844 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.168 2.970 0.765 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.572 2.812 4.718 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.694 2.402 4.254 1.00 0.00 H new ATOM 1129 N CYS A 67 1.815 6.186 1.664 1.00 0.00 N ATOM 1130 CA CYS A 67 3.186 6.601 1.390 1.00 0.00 C ATOM 1131 C CYS A 67 4.156 6.005 2.401 1.00 0.00 C ATOM 1132 O CYS A 67 3.930 6.078 3.609 1.00 0.00 O ATOM 1133 CB CYS A 67 3.114 8.121 1.543 1.00 0.00 C ATOM 1134 SG CYS A 67 4.680 8.978 1.245 1.00 0.00 S ATOM 0 H CYS A 67 1.522 6.315 2.632 1.00 0.00 H new ATOM 0 HA CYS A 67 3.545 6.275 0.414 1.00 0.00 H new ATOM 0 HB2 CYS A 67 2.365 8.508 0.852 1.00 0.00 H new ATOM 0 HB3 CYS A 67 2.771 8.357 2.550 1.00 0.00 H new ATOM 0 HG CYS A 67 4.510 10.258 1.398 1.00 0.00 H new ATOM 1140 N LEU A 68 5.237 5.415 1.901 1.00 0.00 N ATOM 1141 CA LEU A 68 6.240 4.799 2.760 1.00 0.00 C ATOM 1142 C LEU A 68 6.822 5.811 3.739 1.00 0.00 C ATOM 1143 O LEU A 68 7.315 6.865 3.337 1.00 0.00 O ATOM 1144 CB LEU A 68 7.356 4.177 1.910 1.00 0.00 C ATOM 1145 CG LEU A 68 8.441 3.436 2.700 1.00 0.00 C ATOM 1146 CD1 LEU A 68 7.849 2.205 3.373 1.00 0.00 C ATOM 1147 CD2 LEU A 68 9.575 3.045 1.763 1.00 0.00 C ATOM 0 H LEU A 68 5.440 5.351 0.904 1.00 0.00 H new ATOM 0 HA LEU A 68 5.754 4.013 3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.906 3.482 1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.829 4.966 1.326 1.00 0.00 H new ATOM 0 HG LEU A 68 8.837 4.091 3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.628 1.686 3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.055 2.510 4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.440 1.537 2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 68 10.346 2.518 2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.190 2.394 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.002 3.942 1.314 1.00 0.00 H new