USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 403 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 20 SER OG : rot 38:sc= 0.319 USER MOD Set 1.2: A 33 TYR OH : rot 180:sc= -0.124 USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 15 TYR OH : rot -106:sc= -0.474 USER MOD Single : A 1 SER N :NH3+ -151:sc= 0.397 (180deg=0.0551) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0796 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.055) USER MOD Single : A 19 GLN : amide:sc= -0.167 K(o=-0.17,f=-1.9!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 37 ASN : amide:sc= -0.678 X(o=-0.68,f=-0.3) USER MOD Single : A 38 SER OG : rot 59:sc= 0.651 USER MOD Single : A 42 GLN : amide:sc= -1.22 K(o=-1.2,f=0.51) USER MOD Single : A 44 HIS : no HD1:sc= -5.9! C(o=-5.9!,f=-7.9!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0275) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.258 -2.226 0.775 1.00 0.00 N ATOM 2 CA SER A 1 3.960 -3.068 1.770 1.00 0.00 C ATOM 3 C SER A 1 5.461 -3.021 1.523 1.00 0.00 C ATOM 4 O SER A 1 6.233 -2.761 2.425 1.00 0.00 O ATOM 5 CB SER A 1 3.487 -4.525 1.650 1.00 0.00 C ATOM 6 OG SER A 1 3.369 -4.738 0.252 1.00 0.00 O ATOM 0 H1 SER A 1 2.378 -1.860 1.190 1.00 0.00 H new ATOM 0 H2 SER A 1 3.869 -1.430 0.501 1.00 0.00 H new ATOM 0 H3 SER A 1 3.034 -2.796 -0.066 1.00 0.00 H new ATOM 0 HA SER A 1 3.737 -2.687 2.767 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.202 -5.214 2.099 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.535 -4.678 2.158 1.00 0.00 H new ATOM 0 HG SER A 1 3.070 -5.656 0.085 1.00 0.00 H new ATOM 14 N TYR A 2 5.850 -3.274 0.304 1.00 0.00 N ATOM 15 CA TYR A 2 7.296 -3.247 -0.019 1.00 0.00 C ATOM 16 C TYR A 2 7.834 -1.831 0.051 1.00 0.00 C ATOM 17 O TYR A 2 7.107 -0.905 0.346 1.00 0.00 O ATOM 18 CB TYR A 2 7.485 -3.769 -1.450 1.00 0.00 C ATOM 19 CG TYR A 2 7.619 -5.291 -1.422 1.00 0.00 C ATOM 20 CD1 TYR A 2 6.498 -6.092 -1.360 1.00 0.00 C ATOM 21 CD2 TYR A 2 8.864 -5.885 -1.464 1.00 0.00 C ATOM 22 CE1 TYR A 2 6.620 -7.466 -1.340 1.00 0.00 C ATOM 23 CE2 TYR A 2 8.986 -7.258 -1.443 1.00 0.00 C ATOM 24 CZ TYR A 2 7.865 -8.060 -1.381 1.00 0.00 C ATOM 25 OH TYR A 2 7.989 -9.434 -1.360 1.00 0.00 O ATOM 0 H TYR A 2 5.230 -3.497 -0.475 1.00 0.00 H new ATOM 0 HA TYR A 2 7.832 -3.866 0.700 1.00 0.00 H new ATOM 0 HB2 TYR A 2 6.636 -3.479 -2.070 1.00 0.00 H new ATOM 0 HB3 TYR A 2 8.373 -3.323 -1.897 1.00 0.00 H new ATOM 0 HD1 TYR A 2 5.518 -5.640 -1.327 1.00 0.00 H new ATOM 0 HD2 TYR A 2 9.750 -5.269 -1.514 1.00 0.00 H new ATOM 0 HE1 TYR A 2 5.734 -8.082 -1.292 1.00 0.00 H new ATOM 0 HE2 TYR A 2 9.967 -7.709 -1.475 1.00 0.00 H new ATOM 0 HH TYR A 2 8.938 -9.677 -1.396 1.00 0.00 H new ATOM 35 N GLN A 3 9.106 -1.697 -0.223 1.00 0.00 N ATOM 36 CA GLN A 3 9.742 -0.349 -0.184 1.00 0.00 C ATOM 37 C GLN A 3 9.541 0.329 1.159 1.00 0.00 C ATOM 38 O GLN A 3 8.587 0.068 1.862 1.00 0.00 O ATOM 39 CB GLN A 3 9.118 0.518 -1.284 1.00 0.00 C ATOM 40 CG GLN A 3 9.375 -0.137 -2.642 1.00 0.00 C ATOM 41 CD GLN A 3 8.633 0.640 -3.727 1.00 0.00 C ATOM 42 OE1 GLN A 3 7.422 0.591 -3.824 1.00 0.00 O ATOM 43 NE2 GLN A 3 9.318 1.369 -4.566 1.00 0.00 N ATOM 0 H GLN A 3 9.731 -2.464 -0.472 1.00 0.00 H new ATOM 0 HA GLN A 3 10.814 -0.469 -0.341 1.00 0.00 H new ATOM 0 HB2 GLN A 3 8.047 0.626 -1.115 1.00 0.00 H new ATOM 0 HB3 GLN A 3 9.547 1.520 -1.262 1.00 0.00 H new ATOM 0 HG2 GLN A 3 10.444 -0.151 -2.855 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.039 -1.174 -2.628 1.00 0.00 H new ATOM 0 HE21 GLN A 3 10.334 1.415 -4.490 1.00 0.00 H new ATOM 0 HE22 GLN A 3 8.837 1.893 -5.297 1.00 0.00 H new ATOM 52 N VAL A 4 10.458 1.188 1.494 1.00 0.00 N ATOM 53 CA VAL A 4 10.353 1.897 2.778 1.00 0.00 C ATOM 54 C VAL A 4 9.375 3.059 2.671 1.00 0.00 C ATOM 55 O VAL A 4 9.308 3.899 3.546 1.00 0.00 O ATOM 56 CB VAL A 4 11.742 2.443 3.140 1.00 0.00 C ATOM 57 CG1 VAL A 4 12.612 1.296 3.661 1.00 0.00 C ATOM 58 CG2 VAL A 4 12.394 3.042 1.892 1.00 0.00 C ATOM 0 H VAL A 4 11.273 1.425 0.929 1.00 0.00 H new ATOM 0 HA VAL A 4 9.993 1.209 3.543 1.00 0.00 H new ATOM 0 HB VAL A 4 11.645 3.212 3.906 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.600 1.677 3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.148 0.860 4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.709 0.533 2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.380 3.430 2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.494 2.271 1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.773 3.852 1.510 1.00 0.00 H new ATOM 68 N ILE A 5 8.631 3.092 1.592 1.00 0.00 N ATOM 69 CA ILE A 5 7.658 4.194 1.422 1.00 0.00 C ATOM 70 C ILE A 5 6.298 3.846 2.034 1.00 0.00 C ATOM 71 O ILE A 5 6.044 2.714 2.398 1.00 0.00 O ATOM 72 CB ILE A 5 7.472 4.433 -0.070 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.992 3.156 -0.738 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.829 4.822 -0.680 1.00 0.00 C ATOM 75 CD1 ILE A 5 5.620 3.401 -1.371 1.00 0.00 C ATOM 0 H ILE A 5 8.660 2.409 0.835 1.00 0.00 H new ATOM 0 HA ILE A 5 8.041 5.080 1.928 1.00 0.00 H new ATOM 0 HB ILE A 5 6.739 5.225 -0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.705 2.840 -1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.929 2.351 -0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.711 4.996 -1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.195 5.731 -0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.544 4.015 -0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.272 2.486 -1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 5 4.911 3.697 -0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.699 4.194 -2.115 1.00 0.00 H new ATOM 87 N CYS A 6 5.454 4.843 2.131 1.00 0.00 N ATOM 88 CA CYS A 6 4.108 4.637 2.704 1.00 0.00 C ATOM 89 C CYS A 6 3.059 5.318 1.829 1.00 0.00 C ATOM 90 O CYS A 6 2.975 6.527 1.794 1.00 0.00 O ATOM 91 CB CYS A 6 4.111 5.291 4.089 1.00 0.00 C ATOM 92 SG CYS A 6 5.724 5.692 4.783 1.00 0.00 S ATOM 0 H CYS A 6 5.652 5.798 1.832 1.00 0.00 H new ATOM 0 HA CYS A 6 3.871 3.575 2.764 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.525 6.208 4.035 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.597 4.625 4.782 1.00 0.00 H new ATOM 97 N ARG A 7 2.273 4.535 1.138 1.00 0.00 N ATOM 98 CA ARG A 7 1.237 5.139 0.268 1.00 0.00 C ATOM 99 C ARG A 7 -0.071 5.371 1.011 1.00 0.00 C ATOM 100 O ARG A 7 -0.717 4.440 1.447 1.00 0.00 O ATOM 101 CB ARG A 7 0.968 4.173 -0.891 1.00 0.00 C ATOM 102 CG ARG A 7 0.029 4.850 -1.898 1.00 0.00 C ATOM 103 CD ARG A 7 0.077 4.093 -3.229 1.00 0.00 C ATOM 104 NE ARG A 7 0.525 2.693 -2.983 1.00 0.00 N ATOM 105 CZ ARG A 7 0.113 1.740 -3.776 1.00 0.00 C ATOM 106 NH1 ARG A 7 0.598 1.673 -4.986 1.00 0.00 N ATOM 107 NH2 ARG A 7 -0.772 0.891 -3.334 1.00 0.00 N ATOM 0 H ARG A 7 2.307 3.516 1.141 1.00 0.00 H new ATOM 0 HA ARG A 7 1.603 6.105 -0.080 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.904 3.897 -1.376 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.519 3.253 -0.518 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.990 4.862 -1.511 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.325 5.888 -2.047 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.907 4.095 -3.698 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.759 4.590 -3.919 1.00 0.00 H new ATOM 0 HE ARG A 7 1.147 2.481 -2.203 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.287 2.358 -5.298 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.288 0.936 -5.619 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.131 0.977 -2.383 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.105 0.140 -3.939 1.00 0.00 H new ATOM 121 N ASP A 8 -0.434 6.625 1.137 1.00 0.00 N ATOM 122 CA ASP A 8 -1.697 6.966 1.843 1.00 0.00 C ATOM 123 C ASP A 8 -2.786 7.335 0.833 1.00 0.00 C ATOM 124 O ASP A 8 -2.652 8.296 0.093 1.00 0.00 O ATOM 125 CB ASP A 8 -1.425 8.157 2.761 1.00 0.00 C ATOM 126 CG ASP A 8 -2.454 8.165 3.886 1.00 0.00 C ATOM 127 OD1 ASP A 8 -3.590 7.853 3.579 1.00 0.00 O ATOM 128 OD2 ASP A 8 -2.044 8.477 4.990 1.00 0.00 O ATOM 0 H ASP A 8 0.093 7.422 0.780 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.040 6.108 2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.418 8.092 3.173 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.479 9.087 2.196 1.00 0.00 H new ATOM 133 N GLU A 9 -3.851 6.565 0.826 1.00 0.00 N ATOM 134 CA GLU A 9 -4.961 6.841 -0.124 1.00 0.00 C ATOM 135 C GLU A 9 -5.962 7.848 0.431 1.00 0.00 C ATOM 136 O GLU A 9 -6.938 8.170 -0.216 1.00 0.00 O ATOM 137 CB GLU A 9 -5.693 5.523 -0.377 1.00 0.00 C ATOM 138 CG GLU A 9 -6.401 5.094 0.908 1.00 0.00 C ATOM 139 CD GLU A 9 -6.798 3.619 0.800 1.00 0.00 C ATOM 140 OE1 GLU A 9 -7.502 3.316 -0.149 1.00 0.00 O ATOM 141 OE2 GLU A 9 -6.374 2.881 1.673 1.00 0.00 O ATOM 0 H GLU A 9 -3.993 5.761 1.438 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.538 7.263 -1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.416 5.643 -1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.987 4.755 -0.693 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.745 5.244 1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.286 5.709 1.072 1.00 0.00 H new ATOM 148 N LYS A 10 -5.714 8.331 1.610 1.00 0.00 N ATOM 149 CA LYS A 10 -6.661 9.317 2.192 1.00 0.00 C ATOM 150 C LYS A 10 -6.333 10.698 1.671 1.00 0.00 C ATOM 151 O LYS A 10 -7.087 11.635 1.842 1.00 0.00 O ATOM 152 CB LYS A 10 -6.498 9.306 3.721 1.00 0.00 C ATOM 153 CG LYS A 10 -7.843 8.984 4.392 1.00 0.00 C ATOM 154 CD LYS A 10 -8.138 7.485 4.252 1.00 0.00 C ATOM 155 CE LYS A 10 -9.529 7.195 4.822 1.00 0.00 C ATOM 156 NZ LYS A 10 -10.580 7.527 3.820 1.00 0.00 N ATOM 0 H LYS A 10 -4.910 8.092 2.190 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.684 9.059 1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.752 8.566 4.010 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.135 10.275 4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.812 9.263 5.445 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.640 9.567 3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.091 7.188 3.204 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.385 6.902 4.782 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.603 6.144 5.101 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.686 7.778 5.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.518 7.325 4.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.519 8.536 3.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.438 6.953 2.965 1.00 0.00 H new ATOM 170 N THR A 11 -5.203 10.788 1.042 1.00 0.00 N ATOM 171 CA THR A 11 -4.765 12.082 0.482 1.00 0.00 C ATOM 172 C THR A 11 -4.113 11.846 -0.865 1.00 0.00 C ATOM 173 O THR A 11 -4.008 12.743 -1.676 1.00 0.00 O ATOM 174 CB THR A 11 -3.741 12.706 1.431 1.00 0.00 C ATOM 175 OG1 THR A 11 -2.561 12.845 0.663 1.00 0.00 O ATOM 176 CG2 THR A 11 -3.362 11.724 2.547 1.00 0.00 C ATOM 0 H THR A 11 -4.559 10.011 0.891 1.00 0.00 H new ATOM 0 HA THR A 11 -5.621 12.747 0.364 1.00 0.00 H new ATOM 0 HB THR A 11 -4.140 13.628 1.854 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.857 13.245 1.215 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.633 12.190 3.209 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.253 11.459 3.117 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.931 10.824 2.109 1.00 0.00 H new ATOM 184 N GLN A 12 -3.677 10.626 -1.065 1.00 0.00 N ATOM 185 CA GLN A 12 -3.019 10.269 -2.346 1.00 0.00 C ATOM 186 C GLN A 12 -1.600 10.783 -2.368 1.00 0.00 C ATOM 187 O GLN A 12 -1.129 11.278 -3.375 1.00 0.00 O ATOM 188 CB GLN A 12 -3.799 10.901 -3.512 1.00 0.00 C ATOM 189 CG GLN A 12 -3.700 9.980 -4.727 1.00 0.00 C ATOM 190 CD GLN A 12 -4.170 10.731 -5.972 1.00 0.00 C ATOM 191 OE1 GLN A 12 -3.378 11.204 -6.762 1.00 0.00 O ATOM 192 NE2 GLN A 12 -5.450 10.866 -6.185 1.00 0.00 N ATOM 0 H GLN A 12 -3.752 9.865 -0.390 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.008 9.184 -2.446 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.843 11.047 -3.233 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.392 11.884 -3.749 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.672 9.643 -4.859 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.310 9.090 -4.573 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -6.121 10.471 -5.526 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -5.780 11.366 -7.011 1.00 0.00 H new ATOM 201 N MET A 13 -0.943 10.654 -1.249 1.00 0.00 N ATOM 202 CA MET A 13 0.457 11.126 -1.162 1.00 0.00 C ATOM 203 C MET A 13 1.329 10.078 -0.485 1.00 0.00 C ATOM 204 O MET A 13 0.965 9.532 0.537 1.00 0.00 O ATOM 205 CB MET A 13 0.477 12.415 -0.327 1.00 0.00 C ATOM 206 CG MET A 13 1.870 13.041 -0.395 1.00 0.00 C ATOM 207 SD MET A 13 2.008 14.678 -1.156 1.00 0.00 S ATOM 208 CE MET A 13 1.853 15.651 0.362 1.00 0.00 C ATOM 0 H MET A 13 -1.319 10.242 -0.395 1.00 0.00 H new ATOM 0 HA MET A 13 0.845 11.307 -2.164 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.268 13.117 -0.703 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.215 12.195 0.708 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.260 13.107 0.621 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.520 12.359 -0.942 1.00 0.00 H new ATOM 0 HE1 MET A 13 1.912 16.712 0.121 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.894 15.439 0.834 1.00 0.00 H new ATOM 0 HE3 MET A 13 2.660 15.389 1.046 1.00 0.00 H new ATOM 218 N ILE A 14 2.465 9.813 -1.070 1.00 0.00 N ATOM 219 CA ILE A 14 3.369 8.808 -0.476 1.00 0.00 C ATOM 220 C ILE A 14 4.388 9.463 0.449 1.00 0.00 C ATOM 221 O ILE A 14 4.810 10.580 0.218 1.00 0.00 O ATOM 222 CB ILE A 14 4.101 8.106 -1.617 1.00 0.00 C ATOM 223 CG1 ILE A 14 3.090 7.695 -2.684 1.00 0.00 C ATOM 224 CG2 ILE A 14 4.786 6.840 -1.062 1.00 0.00 C ATOM 225 CD1 ILE A 14 3.736 6.701 -3.652 1.00 0.00 C ATOM 0 H ILE A 14 2.799 10.250 -1.929 1.00 0.00 H new ATOM 0 HA ILE A 14 2.786 8.101 0.114 1.00 0.00 H new ATOM 0 HB ILE A 14 4.843 8.776 -2.051 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.215 7.244 -2.215 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.743 8.574 -3.228 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.313 6.329 -1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.497 7.122 -0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.033 6.174 -0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.011 6.410 -4.412 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.597 7.167 -4.131 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.061 5.817 -3.103 1.00 0.00 H new ATOM 237 N TYR A 15 4.761 8.751 1.489 1.00 0.00 N ATOM 238 CA TYR A 15 5.751 9.299 2.454 1.00 0.00 C ATOM 239 C TYR A 15 6.897 8.311 2.685 1.00 0.00 C ATOM 240 O TYR A 15 6.795 7.148 2.348 1.00 0.00 O ATOM 241 CB TYR A 15 5.029 9.544 3.784 1.00 0.00 C ATOM 242 CG TYR A 15 3.804 10.424 3.541 1.00 0.00 C ATOM 243 CD1 TYR A 15 3.916 11.798 3.563 1.00 0.00 C ATOM 244 CD2 TYR A 15 2.566 9.857 3.306 1.00 0.00 C ATOM 245 CE1 TYR A 15 2.810 12.595 3.353 1.00 0.00 C ATOM 246 CE2 TYR A 15 1.460 10.655 3.096 1.00 0.00 C ATOM 247 CZ TYR A 15 1.572 12.031 3.121 1.00 0.00 C ATOM 248 OH TYR A 15 0.465 12.829 2.930 1.00 0.00 O ATOM 0 H TYR A 15 4.418 7.815 1.705 1.00 0.00 H new ATOM 0 HA TYR A 15 6.170 10.222 2.054 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.727 8.595 4.227 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.702 10.026 4.493 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.878 12.254 3.746 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.463 8.782 3.287 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.914 13.670 3.370 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.499 10.199 2.910 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.104 12.795 3.727 1.00 0.00 H new ATOM 258 N GLN A 16 7.968 8.797 3.259 1.00 0.00 N ATOM 259 CA GLN A 16 9.130 7.914 3.523 1.00 0.00 C ATOM 260 C GLN A 16 9.034 7.264 4.895 1.00 0.00 C ATOM 261 O GLN A 16 8.018 7.339 5.557 1.00 0.00 O ATOM 262 CB GLN A 16 10.398 8.775 3.476 1.00 0.00 C ATOM 263 CG GLN A 16 10.548 9.384 2.078 1.00 0.00 C ATOM 264 CD GLN A 16 12.033 9.579 1.768 1.00 0.00 C ATOM 265 OE1 GLN A 16 12.831 9.858 2.643 1.00 0.00 O ATOM 266 NE2 GLN A 16 12.446 9.444 0.538 1.00 0.00 N ATOM 0 H GLN A 16 8.082 9.767 3.554 1.00 0.00 H new ATOM 0 HA GLN A 16 9.151 7.124 2.772 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.342 9.565 4.225 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.272 8.169 3.716 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.092 8.731 1.334 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.026 10.339 2.027 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.782 9.210 -0.200 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.433 9.572 0.314 1.00 0.00 H new ATOM 275 N GLN A 17 10.105 6.637 5.292 1.00 0.00 N ATOM 276 CA GLN A 17 10.116 5.966 6.619 1.00 0.00 C ATOM 277 C GLN A 17 10.178 6.973 7.760 1.00 0.00 C ATOM 278 O GLN A 17 10.711 8.055 7.615 1.00 0.00 O ATOM 279 CB GLN A 17 11.354 5.067 6.705 1.00 0.00 C ATOM 280 CG GLN A 17 11.244 4.192 7.958 1.00 0.00 C ATOM 281 CD GLN A 17 12.420 3.215 8.001 1.00 0.00 C ATOM 282 OE1 GLN A 17 13.533 3.580 8.324 1.00 0.00 O ATOM 283 NE2 GLN A 17 12.215 1.966 7.686 1.00 0.00 N ATOM 0 H GLN A 17 10.970 6.561 4.757 1.00 0.00 H new ATOM 0 HA GLN A 17 9.195 5.391 6.714 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.430 4.443 5.815 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.259 5.674 6.747 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.243 4.816 8.852 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.302 3.644 7.951 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.282 1.655 7.414 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.987 1.300 7.711 1.00 0.00 H new ATOM 292 N HIS A 18 9.624 6.591 8.880 1.00 0.00 N ATOM 293 CA HIS A 18 9.632 7.496 10.054 1.00 0.00 C ATOM 294 C HIS A 18 9.246 8.915 9.655 1.00 0.00 C ATOM 295 O HIS A 18 9.589 9.872 10.323 1.00 0.00 O ATOM 296 CB HIS A 18 11.047 7.493 10.662 1.00 0.00 C ATOM 297 CG HIS A 18 10.983 6.947 12.100 1.00 0.00 C ATOM 298 ND1 HIS A 18 11.644 7.393 13.061 1.00 0.00 N ATOM 299 CD2 HIS A 18 10.228 5.906 12.626 1.00 0.00 C ATOM 300 CE1 HIS A 18 11.395 6.759 14.133 1.00 0.00 C ATOM 301 NE2 HIS A 18 10.501 5.786 13.954 1.00 0.00 N ATOM 0 H HIS A 18 9.168 5.691 9.028 1.00 0.00 H new ATOM 0 HA HIS A 18 8.902 7.143 10.783 1.00 0.00 H new ATOM 0 HB2 HIS A 18 11.714 6.878 10.057 1.00 0.00 H new ATOM 0 HB3 HIS A 18 11.457 8.503 10.662 1.00 0.00 H new ATOM 0 HD2 HIS A 18 9.536 5.291 12.070 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.856 6.983 15.084 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.122 5.126 14.633 1.00 0.00 H new ATOM 309 N GLN A 19 8.525 9.022 8.573 1.00 0.00 N ATOM 310 CA GLN A 19 8.099 10.361 8.106 1.00 0.00 C ATOM 311 C GLN A 19 6.698 10.676 8.626 1.00 0.00 C ATOM 312 O GLN A 19 5.780 9.911 8.431 1.00 0.00 O ATOM 313 CB GLN A 19 8.077 10.346 6.573 1.00 0.00 C ATOM 314 CG GLN A 19 8.092 11.785 6.058 1.00 0.00 C ATOM 315 CD GLN A 19 9.541 12.261 5.933 1.00 0.00 C ATOM 316 OE1 GLN A 19 10.262 11.862 5.040 1.00 0.00 O ATOM 317 NE2 GLN A 19 10.007 13.111 6.807 1.00 0.00 N ATOM 0 H GLN A 19 8.216 8.239 7.997 1.00 0.00 H new ATOM 0 HA GLN A 19 8.789 11.120 8.475 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.940 9.801 6.190 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.187 9.828 6.215 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.593 11.843 5.091 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.541 12.433 6.740 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.407 13.450 7.559 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.971 13.436 6.738 1.00 0.00 H new ATOM 326 N SER A 20 6.563 11.801 9.276 1.00 0.00 N ATOM 327 CA SER A 20 5.234 12.181 9.818 1.00 0.00 C ATOM 328 C SER A 20 4.420 13.043 8.862 1.00 0.00 C ATOM 329 O SER A 20 4.918 13.989 8.284 1.00 0.00 O ATOM 330 CB SER A 20 5.463 12.983 11.104 1.00 0.00 C ATOM 331 OG SER A 20 6.359 14.015 10.713 1.00 0.00 O ATOM 0 H SER A 20 7.314 12.468 9.453 1.00 0.00 H new ATOM 0 HA SER A 20 4.672 11.263 9.987 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.529 13.391 11.491 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.890 12.361 11.891 1.00 0.00 H new ATOM 0 HG SER A 20 6.127 14.327 9.813 1.00 0.00 H new ATOM 337 N TRP A 21 3.170 12.689 8.723 1.00 0.00 N ATOM 338 CA TRP A 21 2.273 13.453 7.825 1.00 0.00 C ATOM 339 C TRP A 21 0.873 13.495 8.429 1.00 0.00 C ATOM 340 O TRP A 21 0.267 12.472 8.680 1.00 0.00 O ATOM 341 CB TRP A 21 2.252 12.804 6.417 1.00 0.00 C ATOM 342 CG TRP A 21 1.388 11.526 6.369 1.00 0.00 C ATOM 343 CD1 TRP A 21 0.093 11.516 6.054 1.00 0.00 C ATOM 344 CD2 TRP A 21 1.862 10.289 6.437 1.00 0.00 C ATOM 345 NE1 TRP A 21 -0.195 10.207 5.910 1.00 0.00 N ATOM 346 CE2 TRP A 21 0.874 9.362 6.134 1.00 0.00 C ATOM 347 CE3 TRP A 21 3.139 9.842 6.750 1.00 0.00 C ATOM 348 CZ2 TRP A 21 1.164 8.009 6.130 1.00 0.00 C ATOM 349 CZ3 TRP A 21 3.420 8.486 6.750 1.00 0.00 C ATOM 350 CH2 TRP A 21 2.438 7.573 6.439 1.00 0.00 C ATOM 0 H TRP A 21 2.735 11.898 9.198 1.00 0.00 H new ATOM 0 HA TRP A 21 2.640 14.474 7.719 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.870 13.525 5.694 1.00 0.00 H new ATOM 0 HB3 TRP A 21 3.271 12.561 6.117 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -0.571 12.360 5.941 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -1.124 9.869 5.657 1.00 0.00 H new ATOM 0 HE3 TRP A 21 3.914 10.553 6.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 0.393 7.293 5.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.414 8.143 6.995 1.00 0.00 H new ATOM 0 HH2 TRP A 21 2.663 6.517 6.437 1.00 0.00 H new ATOM 361 N LEU A 22 0.385 14.693 8.648 1.00 0.00 N ATOM 362 CA LEU A 22 -0.966 14.846 9.240 1.00 0.00 C ATOM 363 C LEU A 22 -2.080 14.632 8.227 1.00 0.00 C ATOM 364 O LEU A 22 -1.870 14.666 7.031 1.00 0.00 O ATOM 365 CB LEU A 22 -1.094 16.292 9.778 1.00 0.00 C ATOM 366 CG LEU A 22 -0.312 16.472 11.103 1.00 0.00 C ATOM 367 CD1 LEU A 22 -1.098 15.850 12.266 1.00 0.00 C ATOM 368 CD2 LEU A 22 1.067 15.806 11.007 1.00 0.00 C ATOM 0 H LEU A 22 0.870 15.566 8.440 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.070 14.094 10.022 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.718 16.994 9.033 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.145 16.531 9.939 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.180 17.539 11.282 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.540 15.981 13.193 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.068 16.340 12.353 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.245 14.786 12.078 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.603 15.942 11.946 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.944 14.741 10.810 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.635 16.261 10.196 1.00 0.00 H new ATOM 380 N ARG A 23 -3.255 14.416 8.755 1.00 0.00 N ATOM 381 CA ARG A 23 -4.436 14.192 7.896 1.00 0.00 C ATOM 382 C ARG A 23 -5.667 14.872 8.532 1.00 0.00 C ATOM 383 O ARG A 23 -5.682 15.127 9.720 1.00 0.00 O ATOM 384 CB ARG A 23 -4.672 12.670 7.819 1.00 0.00 C ATOM 385 CG ARG A 23 -4.067 12.124 6.521 1.00 0.00 C ATOM 386 CD ARG A 23 -3.764 10.637 6.700 1.00 0.00 C ATOM 387 NE ARG A 23 -5.016 9.930 7.093 1.00 0.00 N ATOM 388 CZ ARG A 23 -5.000 8.632 7.238 1.00 0.00 C ATOM 389 NH1 ARG A 23 -3.888 7.988 7.020 1.00 0.00 N ATOM 390 NH2 ARG A 23 -6.097 8.024 7.604 1.00 0.00 N ATOM 0 H ARG A 23 -3.441 14.386 9.757 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.277 14.608 6.901 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.219 12.177 8.679 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.740 12.455 7.854 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.760 12.270 5.692 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.155 12.667 6.273 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.371 10.219 5.773 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.998 10.498 7.463 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.877 10.455 7.247 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.050 8.498 6.741 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.856 6.974 7.128 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.947 8.562 7.771 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.103 7.011 7.722 1.00 0.00 H new ATOM 404 N PRO A 24 -6.688 15.154 7.728 1.00 0.00 N ATOM 405 CA PRO A 24 -7.894 15.798 8.236 1.00 0.00 C ATOM 406 C PRO A 24 -8.389 15.140 9.521 1.00 0.00 C ATOM 407 O PRO A 24 -7.897 14.103 9.923 1.00 0.00 O ATOM 408 CB PRO A 24 -8.933 15.631 7.108 1.00 0.00 C ATOM 409 CG PRO A 24 -8.168 15.087 5.860 1.00 0.00 C ATOM 410 CD PRO A 24 -6.715 14.828 6.294 1.00 0.00 C ATOM 0 HA PRO A 24 -7.712 16.843 8.489 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.721 14.940 7.409 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.413 16.583 6.881 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.630 14.169 5.495 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.203 15.808 5.043 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.429 13.791 6.119 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.018 15.451 5.733 1.00 0.00 H new ATOM 418 N VAL A 25 -9.355 15.760 10.142 1.00 0.00 N ATOM 419 CA VAL A 25 -9.898 15.196 11.400 1.00 0.00 C ATOM 420 C VAL A 25 -10.981 14.168 11.133 1.00 0.00 C ATOM 421 O VAL A 25 -11.342 13.918 10.001 1.00 0.00 O ATOM 422 CB VAL A 25 -10.507 16.362 12.223 1.00 0.00 C ATOM 423 CG1 VAL A 25 -9.827 17.672 11.818 1.00 0.00 C ATOM 424 CG2 VAL A 25 -12.016 16.490 11.947 1.00 0.00 C ATOM 0 H VAL A 25 -9.787 16.630 9.830 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.091 14.700 11.940 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.351 16.158 13.282 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.251 18.495 12.393 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.757 17.603 12.017 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.988 17.852 10.755 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.425 17.313 12.533 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.177 16.685 10.887 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.517 15.563 12.225 1.00 0.00 H new ATOM 434 N LEU A 26 -11.476 13.587 12.187 1.00 0.00 N ATOM 435 CA LEU A 26 -12.534 12.579 12.025 1.00 0.00 C ATOM 436 C LEU A 26 -13.876 13.283 11.864 1.00 0.00 C ATOM 437 O LEU A 26 -14.439 13.310 10.791 1.00 0.00 O ATOM 438 CB LEU A 26 -12.575 11.681 13.286 1.00 0.00 C ATOM 439 CG LEU A 26 -11.148 11.398 13.764 1.00 0.00 C ATOM 440 CD1 LEU A 26 -11.202 10.463 14.973 1.00 0.00 C ATOM 441 CD2 LEU A 26 -10.363 10.719 12.640 1.00 0.00 C ATOM 0 H LEU A 26 -11.189 13.772 13.148 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.332 11.969 11.145 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.143 12.172 14.076 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.086 10.745 13.061 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.660 12.333 14.039 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.189 10.257 15.319 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.770 10.936 15.774 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.686 9.528 14.689 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.347 10.516 12.977 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.850 9.782 12.371 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.333 11.375 11.770 1.00 0.00 H new ATOM 453 N ARG A 27 -14.346 13.862 12.942 1.00 0.00 N ATOM 454 CA ARG A 27 -15.648 14.581 12.902 1.00 0.00 C ATOM 455 C ARG A 27 -15.663 15.700 13.935 1.00 0.00 C ATOM 456 O ARG A 27 -16.560 16.520 13.957 1.00 0.00 O ATOM 457 CB ARG A 27 -16.772 13.588 13.245 1.00 0.00 C ATOM 458 CG ARG A 27 -16.820 12.499 12.180 1.00 0.00 C ATOM 459 CD ARG A 27 -18.188 11.818 12.215 1.00 0.00 C ATOM 460 NE ARG A 27 -19.057 12.439 11.177 1.00 0.00 N ATOM 461 CZ ARG A 27 -20.301 12.709 11.458 1.00 0.00 C ATOM 462 NH1 ARG A 27 -21.190 11.759 11.361 1.00 0.00 N ATOM 463 NH2 ARG A 27 -20.616 13.921 11.828 1.00 0.00 N ATOM 0 H ARG A 27 -13.879 13.865 13.849 1.00 0.00 H new ATOM 0 HA ARG A 27 -15.792 15.003 11.907 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -16.597 13.147 14.226 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -17.729 14.107 13.295 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -16.640 12.930 11.195 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -16.032 11.767 12.356 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -18.083 10.749 12.030 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -18.640 11.928 13.201 1.00 0.00 H new ATOM 0 HE ARG A 27 -18.681 12.652 10.253 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -20.907 10.823 11.069 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -22.168 11.952 11.577 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -19.894 14.638 11.893 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -21.584 14.150 12.052 1.00 0.00 H new ATOM 477 N SER A 28 -14.662 15.712 14.775 1.00 0.00 N ATOM 478 CA SER A 28 -14.587 16.762 15.819 1.00 0.00 C ATOM 479 C SER A 28 -13.725 17.943 15.371 1.00 0.00 C ATOM 480 O SER A 28 -14.096 18.683 14.483 1.00 0.00 O ATOM 481 CB SER A 28 -13.957 16.139 17.070 1.00 0.00 C ATOM 482 OG SER A 28 -14.986 15.323 17.608 1.00 0.00 O ATOM 0 H SER A 28 -13.896 15.038 14.779 1.00 0.00 H new ATOM 0 HA SER A 28 -15.592 17.134 16.016 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.073 15.552 16.821 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.642 16.903 17.780 1.00 0.00 H new ATOM 0 HG SER A 28 -14.662 14.881 18.420 1.00 0.00 H new ATOM 488 N ASN A 29 -12.584 18.095 16.000 1.00 0.00 N ATOM 489 CA ASN A 29 -11.689 19.223 15.623 1.00 0.00 C ATOM 490 C ASN A 29 -10.217 18.873 15.853 1.00 0.00 C ATOM 491 O ASN A 29 -9.361 19.734 15.818 1.00 0.00 O ATOM 492 CB ASN A 29 -12.049 20.428 16.500 1.00 0.00 C ATOM 493 CG ASN A 29 -12.921 21.393 15.698 1.00 0.00 C ATOM 494 OD1 ASN A 29 -14.130 21.280 15.674 1.00 0.00 O ATOM 495 ND2 ASN A 29 -12.349 22.355 15.027 1.00 0.00 N ATOM 0 H ASN A 29 -12.241 17.493 16.748 1.00 0.00 H new ATOM 0 HA ASN A 29 -11.826 19.441 14.564 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.579 20.097 17.393 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.143 20.932 16.836 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -12.917 23.007 14.486 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -11.334 22.455 15.043 1.00 0.00 H new ATOM 502 N ARG A 30 -9.952 17.620 16.085 1.00 0.00 N ATOM 503 CA ARG A 30 -8.555 17.199 16.317 1.00 0.00 C ATOM 504 C ARG A 30 -7.865 16.981 14.985 1.00 0.00 C ATOM 505 O ARG A 30 -8.422 17.267 13.963 1.00 0.00 O ATOM 506 CB ARG A 30 -8.587 15.874 17.080 1.00 0.00 C ATOM 507 CG ARG A 30 -9.409 16.052 18.358 1.00 0.00 C ATOM 508 CD ARG A 30 -8.863 15.116 19.433 1.00 0.00 C ATOM 509 NE ARG A 30 -9.883 14.961 20.508 1.00 0.00 N ATOM 510 CZ ARG A 30 -9.669 14.107 21.472 1.00 0.00 C ATOM 511 NH1 ARG A 30 -8.865 14.442 22.443 1.00 0.00 N ATOM 512 NH2 ARG A 30 -10.264 12.946 21.430 1.00 0.00 N ATOM 0 H ARG A 30 -10.645 16.873 16.123 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.018 17.961 16.881 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.023 15.092 16.458 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.573 15.557 17.326 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.358 17.086 18.698 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.459 15.832 18.164 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.623 14.145 19.000 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.938 15.518 19.847 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.739 15.516 20.491 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.416 15.358 22.440 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.685 13.788 23.205 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.884 12.719 20.653 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.109 12.266 22.174 1.00 0.00 H new ATOM 526 N VAL A 31 -6.656 16.503 15.027 1.00 0.00 N ATOM 527 CA VAL A 31 -5.913 16.257 13.746 1.00 0.00 C ATOM 528 C VAL A 31 -5.346 14.848 13.745 1.00 0.00 C ATOM 529 O VAL A 31 -4.880 14.370 14.759 1.00 0.00 O ATOM 530 CB VAL A 31 -4.759 17.283 13.619 1.00 0.00 C ATOM 531 CG1 VAL A 31 -5.324 18.693 13.803 1.00 0.00 C ATOM 532 CG2 VAL A 31 -3.706 17.032 14.700 1.00 0.00 C ATOM 0 H VAL A 31 -6.147 16.271 15.880 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.595 16.368 12.903 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.299 17.180 12.636 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.518 19.422 13.715 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.074 18.887 13.037 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.782 18.776 14.789 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.901 17.760 14.599 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.164 17.131 15.684 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.302 16.026 14.588 1.00 0.00 H new ATOM 542 N GLU A 32 -5.383 14.199 12.608 1.00 0.00 N ATOM 543 CA GLU A 32 -4.843 12.822 12.560 1.00 0.00 C ATOM 544 C GLU A 32 -3.368 12.829 12.215 1.00 0.00 C ATOM 545 O GLU A 32 -2.969 13.261 11.152 1.00 0.00 O ATOM 546 CB GLU A 32 -5.601 12.023 11.487 1.00 0.00 C ATOM 547 CG GLU A 32 -6.419 10.911 12.159 1.00 0.00 C ATOM 548 CD GLU A 32 -6.994 9.986 11.085 1.00 0.00 C ATOM 549 OE1 GLU A 32 -6.287 9.781 10.113 1.00 0.00 O ATOM 550 OE2 GLU A 32 -8.106 9.534 11.300 1.00 0.00 O ATOM 0 H GLU A 32 -5.758 14.561 11.731 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.970 12.365 13.542 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.260 12.684 10.924 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.897 11.592 10.775 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.789 10.344 12.844 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.225 11.344 12.751 1.00 0.00 H new ATOM 557 N TYR A 33 -2.591 12.351 13.128 1.00 0.00 N ATOM 558 CA TYR A 33 -1.139 12.302 12.915 1.00 0.00 C ATOM 559 C TYR A 33 -0.753 10.941 12.375 1.00 0.00 C ATOM 560 O TYR A 33 -0.804 9.966 13.093 1.00 0.00 O ATOM 561 CB TYR A 33 -0.484 12.497 14.285 1.00 0.00 C ATOM 562 CG TYR A 33 0.975 12.936 14.137 1.00 0.00 C ATOM 563 CD1 TYR A 33 1.923 12.075 13.622 1.00 0.00 C ATOM 564 CD2 TYR A 33 1.372 14.189 14.556 1.00 0.00 C ATOM 565 CE1 TYR A 33 3.240 12.461 13.527 1.00 0.00 C ATOM 566 CE2 TYR A 33 2.690 14.574 14.461 1.00 0.00 C ATOM 567 CZ TYR A 33 3.636 13.714 13.945 1.00 0.00 C ATOM 568 OH TYR A 33 4.956 14.100 13.845 1.00 0.00 O ATOM 0 H TYR A 33 -2.908 11.987 14.027 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.822 13.067 12.207 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.037 13.245 14.853 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.532 11.567 14.851 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.628 11.090 13.291 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.642 14.874 14.962 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.970 11.777 13.121 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.986 15.558 14.793 1.00 0.00 H new ATOM 0 HH TYR A 33 5.056 15.014 14.185 1.00 0.00 H new ATOM 578 N CYS A 34 -0.367 10.897 11.121 1.00 0.00 N ATOM 579 CA CYS A 34 0.026 9.591 10.521 1.00 0.00 C ATOM 580 C CYS A 34 1.495 9.568 10.138 1.00 0.00 C ATOM 581 O CYS A 34 1.940 10.341 9.312 1.00 0.00 O ATOM 582 CB CYS A 34 -0.820 9.364 9.259 1.00 0.00 C ATOM 583 SG CYS A 34 -2.295 8.319 9.424 1.00 0.00 S ATOM 0 H CYS A 34 -0.309 11.702 10.497 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.142 8.806 11.259 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.136 10.338 8.885 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.178 8.923 8.497 1.00 0.00 H new ATOM 588 N TRP A 35 2.218 8.666 10.757 1.00 0.00 N ATOM 589 CA TRP A 35 3.663 8.539 10.473 1.00 0.00 C ATOM 590 C TRP A 35 4.010 7.098 10.141 1.00 0.00 C ATOM 591 O TRP A 35 3.348 6.190 10.576 1.00 0.00 O ATOM 592 CB TRP A 35 4.452 8.967 11.720 1.00 0.00 C ATOM 593 CG TRP A 35 4.919 7.715 12.487 1.00 0.00 C ATOM 594 CD1 TRP A 35 6.020 7.060 12.195 1.00 0.00 C ATOM 595 CD2 TRP A 35 4.311 7.180 13.533 1.00 0.00 C ATOM 596 NE1 TRP A 35 6.077 6.086 13.116 1.00 0.00 N ATOM 597 CE2 TRP A 35 5.030 6.091 14.010 1.00 0.00 C ATOM 598 CE3 TRP A 35 3.138 7.543 14.173 1.00 0.00 C ATOM 599 CZ2 TRP A 35 4.587 5.386 15.108 1.00 0.00 C ATOM 600 CZ3 TRP A 35 2.699 6.833 15.276 1.00 0.00 C ATOM 601 CH2 TRP A 35 3.423 5.757 15.741 1.00 0.00 C ATOM 0 H TRP A 35 1.857 8.012 11.451 1.00 0.00 H new ATOM 0 HA TRP A 35 3.918 9.172 9.623 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.312 9.571 11.430 1.00 0.00 H new ATOM 0 HB3 TRP A 35 3.828 9.589 12.362 1.00 0.00 H new ATOM 0 HD1 TRP A 35 6.719 7.260 11.396 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.831 5.400 13.151 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.564 8.383 13.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.154 4.542 15.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 1.786 7.123 15.774 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.077 5.205 16.602 1.00 0.00 H new ATOM 612 N CYS A 36 5.053 6.921 9.384 1.00 0.00 N ATOM 613 CA CYS A 36 5.465 5.543 9.005 1.00 0.00 C ATOM 614 C CYS A 36 6.366 4.905 10.061 1.00 0.00 C ATOM 615 O CYS A 36 7.464 5.361 10.298 1.00 0.00 O ATOM 616 CB CYS A 36 6.265 5.647 7.718 1.00 0.00 C ATOM 617 SG CYS A 36 5.877 4.493 6.394 1.00 0.00 S ATOM 0 H CYS A 36 5.638 7.669 9.011 1.00 0.00 H new ATOM 0 HA CYS A 36 4.571 4.928 8.900 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.142 6.658 7.328 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.319 5.528 7.968 1.00 0.00 H new ATOM 622 N ASN A 37 5.902 3.849 10.666 1.00 0.00 N ATOM 623 CA ASN A 37 6.736 3.189 11.700 1.00 0.00 C ATOM 624 C ASN A 37 7.685 2.193 11.049 1.00 0.00 C ATOM 625 O ASN A 37 8.659 1.772 11.643 1.00 0.00 O ATOM 626 CB ASN A 37 5.812 2.434 12.666 1.00 0.00 C ATOM 627 CG ASN A 37 6.566 1.248 13.267 1.00 0.00 C ATOM 628 OD1 ASN A 37 7.401 1.403 14.135 1.00 0.00 O ATOM 629 ND2 ASN A 37 6.303 0.046 12.830 1.00 0.00 N ATOM 0 H ASN A 37 4.993 3.420 10.491 1.00 0.00 H new ATOM 0 HA ASN A 37 7.317 3.942 12.232 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.472 3.102 13.458 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.924 2.085 12.139 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.798 -0.757 13.218 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.603 -0.090 12.101 1.00 0.00 H new ATOM 636 N SER A 38 7.378 1.836 9.834 1.00 0.00 N ATOM 637 CA SER A 38 8.233 0.870 9.108 1.00 0.00 C ATOM 638 C SER A 38 7.735 0.700 7.677 1.00 0.00 C ATOM 639 O SER A 38 8.443 0.207 6.821 1.00 0.00 O ATOM 640 CB SER A 38 8.156 -0.484 9.829 1.00 0.00 C ATOM 641 OG SER A 38 9.424 -0.616 10.457 1.00 0.00 O ATOM 0 H SER A 38 6.568 2.175 9.315 1.00 0.00 H new ATOM 0 HA SER A 38 9.259 1.236 9.085 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.346 -0.501 10.559 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.972 -1.299 9.129 1.00 0.00 H new ATOM 0 HG SER A 38 9.567 0.137 11.068 1.00 0.00 H new ATOM 647 N GLY A 39 6.516 1.115 7.446 1.00 0.00 N ATOM 648 CA GLY A 39 5.940 0.990 6.074 1.00 0.00 C ATOM 649 C GLY A 39 4.454 0.627 6.151 1.00 0.00 C ATOM 650 O GLY A 39 3.826 0.366 5.142 1.00 0.00 O ATOM 0 H GLY A 39 5.899 1.532 8.143 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.064 1.928 5.533 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.479 0.226 5.514 1.00 0.00 H new ATOM 654 N ARG A 40 3.925 0.624 7.352 1.00 0.00 N ATOM 655 CA ARG A 40 2.485 0.284 7.531 1.00 0.00 C ATOM 656 C ARG A 40 1.687 1.521 7.908 1.00 0.00 C ATOM 657 O ARG A 40 0.525 1.437 8.251 1.00 0.00 O ATOM 658 CB ARG A 40 2.365 -0.746 8.669 1.00 0.00 C ATOM 659 CG ARG A 40 3.079 -0.208 9.915 1.00 0.00 C ATOM 660 CD ARG A 40 3.032 -1.268 11.019 1.00 0.00 C ATOM 661 NE ARG A 40 4.360 -1.937 11.103 1.00 0.00 N ATOM 662 CZ ARG A 40 4.437 -3.156 11.563 1.00 0.00 C ATOM 663 NH1 ARG A 40 3.802 -4.108 10.935 1.00 0.00 N ATOM 664 NH2 ARG A 40 5.142 -3.382 12.637 1.00 0.00 N ATOM 0 H ARG A 40 4.430 0.842 8.211 1.00 0.00 H new ATOM 0 HA ARG A 40 2.094 -0.118 6.597 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.316 -0.939 8.892 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.806 -1.695 8.364 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.113 0.041 9.677 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.600 0.710 10.255 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.781 -0.806 11.974 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.254 -2.001 10.805 1.00 0.00 H new ATOM 0 HE ARG A 40 5.203 -1.446 10.803 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.257 -3.893 10.100 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.850 -5.067 11.280 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.622 -2.612 13.103 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.213 -4.328 13.011 1.00 0.00 H new ATOM 678 N ALA A 41 2.329 2.651 7.834 1.00 0.00 N ATOM 679 CA ALA A 41 1.636 3.914 8.182 1.00 0.00 C ATOM 680 C ALA A 41 1.020 3.843 9.571 1.00 0.00 C ATOM 681 O ALA A 41 -0.100 3.404 9.739 1.00 0.00 O ATOM 682 CB ALA A 41 0.519 4.159 7.163 1.00 0.00 C ATOM 0 H ALA A 41 3.303 2.752 7.548 1.00 0.00 H new ATOM 0 HA ALA A 41 2.366 4.723 8.168 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.000 5.086 7.407 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.948 4.236 6.164 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.188 3.330 7.191 1.00 0.00 H new ATOM 688 N GLN A 42 1.766 4.278 10.539 1.00 0.00 N ATOM 689 CA GLN A 42 1.254 4.256 11.928 1.00 0.00 C ATOM 690 C GLN A 42 0.640 5.600 12.229 1.00 0.00 C ATOM 691 O GLN A 42 1.089 6.587 11.707 1.00 0.00 O ATOM 692 CB GLN A 42 2.439 4.023 12.872 1.00 0.00 C ATOM 693 CG GLN A 42 2.077 2.933 13.881 1.00 0.00 C ATOM 694 CD GLN A 42 0.833 3.358 14.662 1.00 0.00 C ATOM 695 OE1 GLN A 42 0.827 4.367 15.340 1.00 0.00 O ATOM 696 NE2 GLN A 42 -0.240 2.620 14.595 1.00 0.00 N ATOM 0 H GLN A 42 2.710 4.648 10.428 1.00 0.00 H new ATOM 0 HA GLN A 42 0.511 3.469 12.056 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.320 3.728 12.302 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.691 4.947 13.393 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.892 1.991 13.365 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.909 2.764 14.565 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.241 1.772 14.028 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.078 2.891 15.110 1.00 0.00 H new ATOM 705 N CYS A 43 -0.381 5.644 13.042 1.00 0.00 N ATOM 706 CA CYS A 43 -0.973 6.976 13.323 1.00 0.00 C ATOM 707 C CYS A 43 -1.628 7.081 14.686 1.00 0.00 C ATOM 708 O CYS A 43 -1.834 6.105 15.382 1.00 0.00 O ATOM 709 CB CYS A 43 -2.045 7.256 12.255 1.00 0.00 C ATOM 710 SG CYS A 43 -1.689 6.747 10.550 1.00 0.00 S ATOM 0 H CYS A 43 -0.815 4.847 13.507 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.157 7.698 13.305 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.966 6.763 12.567 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.243 8.328 12.251 1.00 0.00 H new ATOM 715 N HIS A 44 -1.939 8.302 15.023 1.00 0.00 N ATOM 716 CA HIS A 44 -2.588 8.596 16.315 1.00 0.00 C ATOM 717 C HIS A 44 -3.425 9.848 16.153 1.00 0.00 C ATOM 718 O HIS A 44 -3.598 10.325 15.048 1.00 0.00 O ATOM 719 CB HIS A 44 -1.521 8.808 17.418 1.00 0.00 C ATOM 720 CG HIS A 44 -0.375 9.674 16.917 1.00 0.00 C ATOM 721 ND1 HIS A 44 0.513 9.301 16.125 1.00 0.00 N ATOM 722 CD2 HIS A 44 -0.045 10.964 17.265 1.00 0.00 C ATOM 723 CE1 HIS A 44 1.376 10.211 15.936 1.00 0.00 C ATOM 724 NE2 HIS A 44 1.103 11.319 16.624 1.00 0.00 N ATOM 0 H HIS A 44 -1.764 9.120 14.439 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.219 7.758 16.612 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.981 9.277 18.287 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.135 7.842 17.744 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.607 11.594 17.939 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.235 10.100 15.291 1.00 0.00 H new ATOM 0 HE2 HIS A 44 1.617 12.199 16.661 1.00 0.00 H new ATOM 732 N SER A 45 -3.932 10.363 17.229 1.00 0.00 N ATOM 733 CA SER A 45 -4.765 11.596 17.106 1.00 0.00 C ATOM 734 C SER A 45 -4.579 12.543 18.278 1.00 0.00 C ATOM 735 O SER A 45 -4.799 12.184 19.419 1.00 0.00 O ATOM 736 CB SER A 45 -6.238 11.176 17.048 1.00 0.00 C ATOM 737 OG SER A 45 -6.920 12.365 16.673 1.00 0.00 O ATOM 0 H SER A 45 -3.814 9.998 18.174 1.00 0.00 H new ATOM 0 HA SER A 45 -4.455 12.122 16.203 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.397 10.379 16.322 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.585 10.804 18.012 1.00 0.00 H new ATOM 0 HG SER A 45 -7.881 12.185 16.610 1.00 0.00 H new ATOM 743 N VAL A 46 -4.169 13.746 17.956 1.00 0.00 N ATOM 744 CA VAL A 46 -3.950 14.769 18.990 1.00 0.00 C ATOM 745 C VAL A 46 -4.870 15.983 18.690 1.00 0.00 C ATOM 746 O VAL A 46 -5.226 16.202 17.555 1.00 0.00 O ATOM 747 CB VAL A 46 -2.470 15.197 18.892 1.00 0.00 C ATOM 748 CG1 VAL A 46 -1.589 13.945 18.795 1.00 0.00 C ATOM 749 CG2 VAL A 46 -2.271 16.048 17.637 1.00 0.00 C ATOM 0 H VAL A 46 -3.978 14.053 17.002 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.176 14.391 19.987 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.196 15.775 19.775 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.542 14.241 18.725 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.734 13.329 19.682 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.864 13.374 17.908 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.227 16.352 17.565 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.541 15.466 16.756 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.903 16.934 17.694 1.00 0.00 H new ATOM 759 N PRO A 47 -5.262 16.744 19.709 1.00 0.00 N ATOM 760 CA PRO A 47 -6.132 17.902 19.485 1.00 0.00 C ATOM 761 C PRO A 47 -5.527 18.891 18.498 1.00 0.00 C ATOM 762 O PRO A 47 -4.481 18.651 17.931 1.00 0.00 O ATOM 763 CB PRO A 47 -6.272 18.572 20.862 1.00 0.00 C ATOM 764 CG PRO A 47 -5.484 17.703 21.884 1.00 0.00 C ATOM 765 CD PRO A 47 -4.889 16.512 21.115 1.00 0.00 C ATOM 0 HA PRO A 47 -7.086 17.589 19.061 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.877 19.588 20.837 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.321 18.645 21.149 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.694 18.288 22.356 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.143 17.355 22.680 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.807 16.466 21.234 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.290 15.566 21.479 1.00 0.00 H new ATOM 773 N VAL A 48 -6.220 19.985 18.306 1.00 0.00 N ATOM 774 CA VAL A 48 -5.728 21.019 17.368 1.00 0.00 C ATOM 775 C VAL A 48 -4.562 21.810 17.976 1.00 0.00 C ATOM 776 O VAL A 48 -4.572 23.025 18.002 1.00 0.00 O ATOM 777 CB VAL A 48 -6.907 21.971 17.070 1.00 0.00 C ATOM 778 CG1 VAL A 48 -7.470 22.542 18.385 1.00 0.00 C ATOM 779 CG2 VAL A 48 -6.426 23.121 16.180 1.00 0.00 C ATOM 0 H VAL A 48 -7.106 20.200 18.763 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.362 20.547 16.456 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.691 21.414 16.557 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.301 23.212 18.164 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.820 21.725 19.016 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.688 23.093 18.907 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.259 23.792 15.971 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.637 23.671 16.692 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.040 22.719 15.243 1.00 0.00 H new ATOM 789 N LYS A 49 -3.577 21.096 18.447 1.00 0.00 N ATOM 790 CA LYS A 49 -2.399 21.767 19.057 1.00 0.00 C ATOM 791 C LYS A 49 -1.979 22.987 18.244 1.00 0.00 C ATOM 792 O LYS A 49 -1.758 22.897 17.053 1.00 0.00 O ATOM 793 CB LYS A 49 -1.234 20.758 19.068 1.00 0.00 C ATOM 794 CG LYS A 49 -0.825 20.445 20.512 1.00 0.00 C ATOM 795 CD LYS A 49 -0.033 21.625 21.074 1.00 0.00 C ATOM 796 CE LYS A 49 -0.128 21.613 22.600 1.00 0.00 C ATOM 797 NZ LYS A 49 -1.429 22.186 23.046 1.00 0.00 N ATOM 0 H LYS A 49 -3.539 20.077 18.435 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.656 22.096 20.064 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.531 19.841 18.559 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.384 21.165 18.521 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.709 20.261 21.122 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.222 19.538 20.544 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.009 21.560 20.762 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.426 22.563 20.681 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.028 20.592 22.969 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.694 22.188 23.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.411 22.328 24.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.586 23.099 22.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.199 21.532 22.800 1.00 0.00 H new ATOM 811 N SER A 50 -1.876 24.109 18.905 1.00 0.00 N ATOM 812 CA SER A 50 -1.471 25.343 18.189 1.00 0.00 C ATOM 813 C SER A 50 -0.013 25.261 17.750 1.00 0.00 C ATOM 814 O SER A 50 0.299 25.931 16.780 1.00 0.00 O ATOM 815 CB SER A 50 -1.635 26.536 19.145 1.00 0.00 C ATOM 816 OG SER A 50 -1.317 27.668 18.348 1.00 0.00 O ATOM 817 OXT SER A 50 0.711 24.534 18.411 1.00 0.00 O ATOM 0 H SER A 50 -2.054 24.220 19.903 1.00 0.00 H new ATOM 0 HA SER A 50 -2.096 25.462 17.304 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.651 26.597 19.535 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.968 26.453 20.003 1.00 0.00 H new ATOM 0 HG SER A 50 -1.399 28.482 18.888 1.00 0.00 H new TER 823 SER A 50