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 Single : A 1 SER N :NH3+ -124:sc= 0.115 (180deg=0) USER MOD Single : A 1 SER OG : rot 110:sc= -0.0764 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+ 161:sc= 0 (180deg=-0.248) USER MOD Single : A 11 THR OG1 : rot 180:sc=-0.00305 USER MOD Single : A 12 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.3) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -114:sc= -0.268 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 17 GLN : amide:sc= -1.69 K(o=-1.7,f=-2.3!) USER MOD Single : A 18 HIS : no HD1:sc= -0.277 X(o=-0.28,f=-0.051) USER MOD Single : A 19 GLN : amide:sc= 0.997 K(o=1,f=-5.9!) USER MOD Single : A 20 SER OG : rot 180:sc= 0.109 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.31) USER MOD Single : A 38 SER OG : rot 58:sc= 0.622 USER MOD Single : A 42 GLN : amide:sc= -0.717 K(o=-0.72,f=1.3) USER MOD Single : A 44 HIS : no HD1:sc= -4.87! C(o=-4.9!,f=-17!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 43:sc= 0.00836 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 14.962 -4.902 2.787 1.00 0.00 N ATOM 2 CA SER A 1 15.486 -3.585 2.349 1.00 0.00 C ATOM 3 C SER A 1 14.486 -2.904 1.423 1.00 0.00 C ATOM 4 O SER A 1 13.357 -3.338 1.300 1.00 0.00 O ATOM 5 CB SER A 1 16.806 -3.777 1.588 1.00 0.00 C ATOM 6 OG SER A 1 16.400 -4.074 0.261 1.00 0.00 O ATOM 0 H1 SER A 1 14.941 -4.939 3.826 1.00 0.00 H new ATOM 0 H2 SER A 1 13.999 -5.033 2.416 1.00 0.00 H new ATOM 0 H3 SER A 1 15.578 -5.658 2.426 1.00 0.00 H new ATOM 0 HA SER A 1 15.650 -2.967 3.232 1.00 0.00 H new ATOM 0 HB2 SER A 1 17.422 -2.878 1.625 1.00 0.00 H new ATOM 0 HB3 SER A 1 17.398 -4.587 2.015 1.00 0.00 H new ATOM 0 HG SER A 1 16.619 -3.320 -0.325 1.00 0.00 H new ATOM 14 N TYR A 2 14.921 -1.850 0.784 1.00 0.00 N ATOM 15 CA TYR A 2 14.009 -1.125 -0.138 1.00 0.00 C ATOM 16 C TYR A 2 12.637 -0.948 0.487 1.00 0.00 C ATOM 17 O TYR A 2 12.449 -1.198 1.661 1.00 0.00 O ATOM 18 CB TYR A 2 13.881 -1.935 -1.445 1.00 0.00 C ATOM 19 CG TYR A 2 14.543 -1.146 -2.582 1.00 0.00 C ATOM 20 CD1 TYR A 2 15.907 -1.210 -2.776 1.00 0.00 C ATOM 21 CD2 TYR A 2 13.786 -0.342 -3.412 1.00 0.00 C ATOM 22 CE1 TYR A 2 16.507 -0.481 -3.784 1.00 0.00 C ATOM 23 CE2 TYR A 2 14.387 0.386 -4.419 1.00 0.00 C ATOM 24 CZ TYR A 2 15.751 0.324 -4.612 1.00 0.00 C ATOM 25 OH TYR A 2 16.350 1.059 -5.615 1.00 0.00 O ATOM 0 H TYR A 2 15.862 -1.465 0.862 1.00 0.00 H new ATOM 0 HA TYR A 2 14.420 -0.136 -0.342 1.00 0.00 H new ATOM 0 HB2 TYR A 2 14.358 -2.909 -1.334 1.00 0.00 H new ATOM 0 HB3 TYR A 2 12.831 -2.118 -1.674 1.00 0.00 H new ATOM 0 HD1 TYR A 2 16.511 -1.835 -2.135 1.00 0.00 H new ATOM 0 HD2 TYR A 2 12.717 -0.283 -3.272 1.00 0.00 H new ATOM 0 HE1 TYR A 2 17.576 -0.541 -3.925 1.00 0.00 H new ATOM 0 HE2 TYR A 2 13.783 1.010 -5.062 1.00 0.00 H new ATOM 0 HH TYR A 2 15.667 1.567 -6.100 1.00 0.00 H new ATOM 35 N GLN A 3 11.707 -0.515 -0.304 1.00 0.00 N ATOM 36 CA GLN A 3 10.336 -0.311 0.226 1.00 0.00 C ATOM 37 C GLN A 3 10.385 0.535 1.473 1.00 0.00 C ATOM 38 O GLN A 3 10.203 0.049 2.572 1.00 0.00 O ATOM 39 CB GLN A 3 9.724 -1.668 0.570 1.00 0.00 C ATOM 40 CG GLN A 3 9.187 -2.291 -0.707 1.00 0.00 C ATOM 41 CD GLN A 3 9.085 -3.807 -0.524 1.00 0.00 C ATOM 42 OE1 GLN A 3 8.038 -4.337 -0.213 1.00 0.00 O ATOM 43 NE2 GLN A 3 10.150 -4.538 -0.706 1.00 0.00 N ATOM 0 H GLN A 3 11.833 -0.293 -1.292 1.00 0.00 H new ATOM 0 HA GLN A 3 9.733 0.193 -0.529 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.473 -2.318 1.023 1.00 0.00 H new ATOM 0 HB3 GLN A 3 8.923 -1.548 1.299 1.00 0.00 H new ATOM 0 HG2 GLN A 3 8.208 -1.875 -0.945 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.845 -2.057 -1.544 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.032 -4.098 -0.967 1.00 0.00 H new ATOM 0 HE22 GLN A 3 10.101 -5.550 -0.587 1.00 0.00 H new ATOM 52 N VAL A 4 10.633 1.790 1.268 1.00 0.00 N ATOM 53 CA VAL A 4 10.713 2.737 2.409 1.00 0.00 C ATOM 54 C VAL A 4 9.623 3.796 2.300 1.00 0.00 C ATOM 55 O VAL A 4 9.697 4.836 2.926 1.00 0.00 O ATOM 56 CB VAL A 4 12.091 3.426 2.349 1.00 0.00 C ATOM 57 CG1 VAL A 4 13.034 2.756 3.349 1.00 0.00 C ATOM 58 CG2 VAL A 4 12.673 3.275 0.943 1.00 0.00 C ATOM 0 H VAL A 4 10.786 2.207 0.350 1.00 0.00 H new ATOM 0 HA VAL A 4 10.580 2.199 3.347 1.00 0.00 H new ATOM 0 HB VAL A 4 11.980 4.483 2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 4 14.010 3.240 3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.623 2.848 4.354 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.142 1.701 3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.647 3.762 0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.785 2.217 0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.002 3.739 0.220 1.00 0.00 H new ATOM 68 N ILE A 5 8.622 3.501 1.509 1.00 0.00 N ATOM 69 CA ILE A 5 7.513 4.463 1.333 1.00 0.00 C ATOM 70 C ILE A 5 6.260 4.038 2.105 1.00 0.00 C ATOM 71 O ILE A 5 6.145 2.908 2.541 1.00 0.00 O ATOM 72 CB ILE A 5 7.180 4.504 -0.151 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.969 3.084 -0.668 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.372 5.126 -0.901 1.00 0.00 C ATOM 75 CD1 ILE A 5 5.626 3.007 -1.398 1.00 0.00 C ATOM 0 H ILE A 5 8.533 2.633 0.981 1.00 0.00 H new ATOM 0 HA ILE A 5 7.823 5.436 1.714 1.00 0.00 H new ATOM 0 HB ILE A 5 6.275 5.090 -0.309 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.779 2.806 -1.342 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.987 2.376 0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.151 5.164 -1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 5 8.548 6.136 -0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.262 4.519 -0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.471 1.994 -1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 5 4.822 3.268 -0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.627 3.704 -2.236 1.00 0.00 H new ATOM 87 N CYS A 6 5.339 4.965 2.252 1.00 0.00 N ATOM 88 CA CYS A 6 4.077 4.661 2.987 1.00 0.00 C ATOM 89 C CYS A 6 2.894 5.250 2.236 1.00 0.00 C ATOM 90 O CYS A 6 2.751 6.450 2.157 1.00 0.00 O ATOM 91 CB CYS A 6 4.150 5.305 4.387 1.00 0.00 C ATOM 92 SG CYS A 6 4.448 4.206 5.797 1.00 0.00 S ATOM 0 H CYS A 6 5.412 5.917 1.893 1.00 0.00 H new ATOM 0 HA CYS A 6 3.954 3.581 3.072 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.941 6.055 4.372 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.213 5.833 4.564 1.00 0.00 H new ATOM 97 N ARG A 7 2.058 4.398 1.712 1.00 0.00 N ATOM 98 CA ARG A 7 0.881 4.898 0.961 1.00 0.00 C ATOM 99 C ARG A 7 -0.331 5.135 1.854 1.00 0.00 C ATOM 100 O ARG A 7 -0.872 4.215 2.434 1.00 0.00 O ATOM 101 CB ARG A 7 0.513 3.836 -0.076 1.00 0.00 C ATOM 102 CG ARG A 7 -0.594 4.377 -0.983 1.00 0.00 C ATOM 103 CD ARG A 7 -0.703 3.491 -2.228 1.00 0.00 C ATOM 104 NE ARG A 7 -0.715 2.062 -1.806 1.00 0.00 N ATOM 105 CZ ARG A 7 -1.419 1.199 -2.486 1.00 0.00 C ATOM 106 NH1 ARG A 7 -0.996 0.826 -3.664 1.00 0.00 N ATOM 107 NH2 ARG A 7 -2.522 0.739 -1.965 1.00 0.00 N ATOM 0 H ARG A 7 2.141 3.383 1.772 1.00 0.00 H new ATOM 0 HA ARG A 7 1.145 5.854 0.509 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.388 3.572 -0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.179 2.926 0.422 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.544 4.392 -0.448 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.374 5.405 -1.272 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.612 3.728 -2.781 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.136 3.679 -2.898 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.178 1.761 -0.993 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.128 1.208 -4.039 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.534 0.152 -4.209 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.820 1.054 -1.042 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.087 0.064 -2.480 1.00 0.00 H new ATOM 121 N ASP A 8 -0.734 6.378 1.941 1.00 0.00 N ATOM 122 CA ASP A 8 -1.912 6.717 2.783 1.00 0.00 C ATOM 123 C ASP A 8 -3.160 6.814 1.899 1.00 0.00 C ATOM 124 O ASP A 8 -3.244 7.665 1.032 1.00 0.00 O ATOM 125 CB ASP A 8 -1.647 8.074 3.458 1.00 0.00 C ATOM 126 CG ASP A 8 -2.689 8.313 4.550 1.00 0.00 C ATOM 127 OD1 ASP A 8 -3.850 8.151 4.231 1.00 0.00 O ATOM 128 OD2 ASP A 8 -2.262 8.650 5.642 1.00 0.00 O ATOM 0 H ASP A 8 -0.297 7.167 1.465 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.073 5.948 3.538 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.645 8.089 3.887 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.689 8.874 2.719 1.00 0.00 H new ATOM 133 N GLU A 9 -4.107 5.937 2.138 1.00 0.00 N ATOM 134 CA GLU A 9 -5.356 5.950 1.328 1.00 0.00 C ATOM 135 C GLU A 9 -6.383 6.955 1.846 1.00 0.00 C ATOM 136 O GLU A 9 -7.421 7.143 1.243 1.00 0.00 O ATOM 137 CB GLU A 9 -5.969 4.547 1.406 1.00 0.00 C ATOM 138 CG GLU A 9 -6.366 4.256 2.856 1.00 0.00 C ATOM 139 CD GLU A 9 -6.712 2.773 3.001 1.00 0.00 C ATOM 140 OE1 GLU A 9 -7.873 2.464 2.787 1.00 0.00 O ATOM 141 OE2 GLU A 9 -5.796 2.032 3.318 1.00 0.00 O ATOM 0 H GLU A 9 -4.064 5.216 2.859 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.101 6.240 0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.842 4.481 0.756 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.253 3.803 1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.548 4.517 3.528 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.221 4.870 3.141 1.00 0.00 H new ATOM 148 N LYS A 10 -6.085 7.584 2.938 1.00 0.00 N ATOM 149 CA LYS A 10 -7.051 8.574 3.486 1.00 0.00 C ATOM 150 C LYS A 10 -6.863 9.922 2.811 1.00 0.00 C ATOM 151 O LYS A 10 -7.684 10.809 2.940 1.00 0.00 O ATOM 152 CB LYS A 10 -6.795 8.728 4.991 1.00 0.00 C ATOM 153 CG LYS A 10 -8.042 8.269 5.776 1.00 0.00 C ATOM 154 CD LYS A 10 -8.226 6.746 5.626 1.00 0.00 C ATOM 155 CE LYS A 10 -9.042 6.222 6.808 1.00 0.00 C ATOM 156 NZ LYS A 10 -10.320 6.978 6.938 1.00 0.00 N ATOM 0 H LYS A 10 -5.226 7.461 3.474 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.068 8.225 3.304 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.929 8.136 5.286 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.566 9.767 5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.935 8.529 6.829 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.926 8.789 5.407 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.734 6.519 4.689 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.255 6.252 5.591 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.253 5.162 6.670 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.463 6.315 7.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.992 6.428 7.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.137 7.892 7.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.724 7.142 5.994 1.00 0.00 H new ATOM 170 N THR A 11 -5.779 10.045 2.106 1.00 0.00 N ATOM 171 CA THR A 11 -5.491 11.318 1.397 1.00 0.00 C ATOM 172 C THR A 11 -4.956 11.005 0.024 1.00 0.00 C ATOM 173 O THR A 11 -4.935 11.843 -0.857 1.00 0.00 O ATOM 174 CB THR A 11 -4.429 12.098 2.178 1.00 0.00 C ATOM 175 OG1 THR A 11 -3.353 12.268 1.276 1.00 0.00 O ATOM 176 CG2 THR A 11 -3.852 11.246 3.313 1.00 0.00 C ATOM 0 H THR A 11 -5.076 9.315 1.989 1.00 0.00 H new ATOM 0 HA THR A 11 -6.402 11.911 1.316 1.00 0.00 H new ATOM 0 HB THR A 11 -4.861 13.017 2.574 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.633 12.766 1.716 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.100 11.821 3.853 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.652 10.961 3.997 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.393 10.349 2.897 1.00 0.00 H new ATOM 184 N GLN A 12 -4.523 9.784 -0.132 1.00 0.00 N ATOM 185 CA GLN A 12 -3.977 9.353 -1.432 1.00 0.00 C ATOM 186 C GLN A 12 -2.610 9.974 -1.655 1.00 0.00 C ATOM 187 O GLN A 12 -2.292 10.417 -2.743 1.00 0.00 O ATOM 188 CB GLN A 12 -4.943 9.804 -2.550 1.00 0.00 C ATOM 189 CG GLN A 12 -5.035 8.701 -3.602 1.00 0.00 C ATOM 190 CD GLN A 12 -3.641 8.408 -4.156 1.00 0.00 C ATOM 191 OE1 GLN A 12 -3.136 9.113 -5.007 1.00 0.00 O ATOM 192 NE2 GLN A 12 -2.985 7.374 -3.701 1.00 0.00 N ATOM 0 H GLN A 12 -4.528 9.068 0.595 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.873 8.268 -1.444 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.929 10.011 -2.135 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.588 10.729 -3.004 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.460 7.799 -3.162 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.701 9.007 -4.408 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.404 6.778 -2.987 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.054 7.162 -4.060 1.00 0.00 H new ATOM 201 N MET A 13 -1.819 9.987 -0.608 1.00 0.00 N ATOM 202 CA MET A 13 -0.460 10.571 -0.717 1.00 0.00 C ATOM 203 C MET A 13 0.584 9.635 -0.125 1.00 0.00 C ATOM 204 O MET A 13 0.402 9.100 0.951 1.00 0.00 O ATOM 205 CB MET A 13 -0.440 11.892 0.066 1.00 0.00 C ATOM 206 CG MET A 13 0.867 12.635 -0.230 1.00 0.00 C ATOM 207 SD MET A 13 0.750 14.190 -1.150 1.00 0.00 S ATOM 208 CE MET A 13 0.238 13.479 -2.735 1.00 0.00 C ATOM 0 H MET A 13 -2.062 9.618 0.311 1.00 0.00 H new ATOM 0 HA MET A 13 -0.225 10.732 -1.769 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.294 12.508 -0.215 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.527 11.696 1.135 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.360 12.842 0.720 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.519 11.962 -0.787 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.105 14.277 -3.466 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.003 12.788 -3.088 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.703 12.944 -2.607 1.00 0.00 H new ATOM 218 N ILE A 14 1.665 9.455 -0.844 1.00 0.00 N ATOM 219 CA ILE A 14 2.735 8.560 -0.345 1.00 0.00 C ATOM 220 C ILE A 14 3.847 9.356 0.333 1.00 0.00 C ATOM 221 O ILE A 14 4.186 10.440 -0.096 1.00 0.00 O ATOM 222 CB ILE A 14 3.321 7.815 -1.541 1.00 0.00 C ATOM 223 CG1 ILE A 14 2.188 7.224 -2.371 1.00 0.00 C ATOM 224 CG2 ILE A 14 4.211 6.665 -1.019 1.00 0.00 C ATOM 225 CD1 ILE A 14 2.756 6.206 -3.361 1.00 0.00 C ATOM 0 H ILE A 14 1.845 9.890 -1.749 1.00 0.00 H new ATOM 0 HA ILE A 14 2.313 7.871 0.386 1.00 0.00 H new ATOM 0 HB ILE A 14 3.907 8.499 -2.154 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.458 6.744 -1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.665 8.016 -2.907 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.637 6.123 -1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.015 7.076 -0.408 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.610 5.984 -0.417 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.945 5.784 -3.954 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.470 6.699 -4.021 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.259 5.408 -2.814 1.00 0.00 H new ATOM 237 N TYR A 15 4.393 8.787 1.383 1.00 0.00 N ATOM 238 CA TYR A 15 5.489 9.477 2.123 1.00 0.00 C ATOM 239 C TYR A 15 6.700 8.564 2.258 1.00 0.00 C ATOM 240 O TYR A 15 6.659 7.425 1.858 1.00 0.00 O ATOM 241 CB TYR A 15 4.978 9.826 3.526 1.00 0.00 C ATOM 242 CG TYR A 15 3.667 10.606 3.410 1.00 0.00 C ATOM 243 CD1 TYR A 15 3.682 11.961 3.146 1.00 0.00 C ATOM 244 CD2 TYR A 15 2.453 9.971 3.575 1.00 0.00 C ATOM 245 CE1 TYR A 15 2.503 12.670 3.054 1.00 0.00 C ATOM 246 CE2 TYR A 15 1.274 10.681 3.482 1.00 0.00 C ATOM 247 CZ TYR A 15 1.290 12.037 3.220 1.00 0.00 C ATOM 248 OH TYR A 15 0.113 12.749 3.132 1.00 0.00 O ATOM 0 H TYR A 15 4.125 7.876 1.756 1.00 0.00 H new ATOM 0 HA TYR A 15 5.782 10.374 1.578 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.822 8.916 4.105 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.721 10.419 4.059 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.625 12.470 3.010 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.426 8.911 3.778 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.530 13.730 2.850 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.331 10.172 3.615 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.332 12.755 4.005 1.00 0.00 H new ATOM 258 N GLN A 16 7.757 9.087 2.822 1.00 0.00 N ATOM 259 CA GLN A 16 8.981 8.268 2.992 1.00 0.00 C ATOM 260 C GLN A 16 8.992 7.552 4.338 1.00 0.00 C ATOM 261 O GLN A 16 8.023 7.575 5.071 1.00 0.00 O ATOM 262 CB GLN A 16 10.191 9.204 2.924 1.00 0.00 C ATOM 263 CG GLN A 16 10.227 9.883 1.551 1.00 0.00 C ATOM 264 CD GLN A 16 11.677 10.193 1.175 1.00 0.00 C ATOM 265 OE1 GLN A 16 12.500 10.490 2.018 1.00 0.00 O ATOM 266 NE2 GLN A 16 12.031 10.137 -0.080 1.00 0.00 N ATOM 0 H GLN A 16 7.820 10.044 3.170 1.00 0.00 H new ATOM 0 HA GLN A 16 9.012 7.514 2.206 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.130 9.954 3.712 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.110 8.642 3.089 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.776 9.234 0.800 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.641 10.802 1.572 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.345 9.888 -0.793 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.994 10.342 -0.348 1.00 0.00 H new ATOM 275 N GLN A 17 10.100 6.929 4.631 1.00 0.00 N ATOM 276 CA GLN A 17 10.216 6.196 5.921 1.00 0.00 C ATOM 277 C GLN A 17 10.435 7.145 7.091 1.00 0.00 C ATOM 278 O GLN A 17 11.109 8.148 6.965 1.00 0.00 O ATOM 279 CB GLN A 17 11.424 5.253 5.837 1.00 0.00 C ATOM 280 CG GLN A 17 11.063 3.918 6.501 1.00 0.00 C ATOM 281 CD GLN A 17 12.345 3.168 6.876 1.00 0.00 C ATOM 282 OE1 GLN A 17 12.579 2.059 6.436 1.00 0.00 O ATOM 283 NE2 GLN A 17 13.202 3.735 7.682 1.00 0.00 N ATOM 0 H GLN A 17 10.927 6.896 4.035 1.00 0.00 H new ATOM 0 HA GLN A 17 9.287 5.650 6.088 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.704 5.092 4.796 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.285 5.700 6.334 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.459 4.094 7.391 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.461 3.314 5.822 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.013 4.665 8.055 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.061 3.248 7.938 1.00 0.00 H new ATOM 292 N HIS A 18 9.857 6.811 8.216 1.00 0.00 N ATOM 293 CA HIS A 18 10.022 7.682 9.406 1.00 0.00 C ATOM 294 C HIS A 18 9.572 9.098 9.095 1.00 0.00 C ATOM 295 O HIS A 18 9.965 10.041 9.755 1.00 0.00 O ATOM 296 CB HIS A 18 11.509 7.689 9.800 1.00 0.00 C ATOM 297 CG HIS A 18 11.665 7.147 11.228 1.00 0.00 C ATOM 298 ND1 HIS A 18 12.453 7.605 12.082 1.00 0.00 N ATOM 299 CD2 HIS A 18 11.018 6.093 11.855 1.00 0.00 C ATOM 300 CE1 HIS A 18 12.381 6.964 13.175 1.00 0.00 C ATOM 301 NE2 HIS A 18 11.490 5.975 13.127 1.00 0.00 N ATOM 0 H HIS A 18 9.284 5.979 8.357 1.00 0.00 H new ATOM 0 HA HIS A 18 9.412 7.300 10.225 1.00 0.00 H new ATOM 0 HB2 HIS A 18 12.083 7.078 9.103 1.00 0.00 H new ATOM 0 HB3 HIS A 18 11.907 8.702 9.739 1.00 0.00 H new ATOM 0 HD2 HIS A 18 10.261 5.466 11.407 1.00 0.00 H new ATOM 0 HE1 HIS A 18 12.976 7.195 14.047 1.00 0.00 H new ATOM 0 HE2 HIS A 18 11.230 5.306 13.852 1.00 0.00 H new ATOM 309 N GLN A 19 8.749 9.221 8.091 1.00 0.00 N ATOM 310 CA GLN A 19 8.252 10.559 7.714 1.00 0.00 C ATOM 311 C GLN A 19 6.916 10.828 8.383 1.00 0.00 C ATOM 312 O GLN A 19 5.993 10.050 8.256 1.00 0.00 O ATOM 313 CB GLN A 19 8.061 10.595 6.191 1.00 0.00 C ATOM 314 CG GLN A 19 7.566 11.984 5.782 1.00 0.00 C ATOM 315 CD GLN A 19 8.201 12.375 4.447 1.00 0.00 C ATOM 316 OE1 GLN A 19 7.927 11.788 3.420 1.00 0.00 O ATOM 317 NE2 GLN A 19 9.055 13.361 4.416 1.00 0.00 N ATOM 0 H GLN A 19 8.403 8.450 7.520 1.00 0.00 H new ATOM 0 HA GLN A 19 8.969 11.316 8.032 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.001 10.368 5.689 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.343 9.834 5.884 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.480 11.984 5.695 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.824 12.715 6.548 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.290 13.859 5.274 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.487 13.634 3.533 1.00 0.00 H new ATOM 326 N SER A 20 6.833 11.922 9.086 1.00 0.00 N ATOM 327 CA SER A 20 5.567 12.251 9.767 1.00 0.00 C ATOM 328 C SER A 20 4.705 13.176 8.926 1.00 0.00 C ATOM 329 O SER A 20 5.170 14.183 8.428 1.00 0.00 O ATOM 330 CB SER A 20 5.906 12.963 11.078 1.00 0.00 C ATOM 331 OG SER A 20 7.070 13.717 10.774 1.00 0.00 O ATOM 0 H SER A 20 7.588 12.596 9.214 1.00 0.00 H new ATOM 0 HA SER A 20 5.012 11.329 9.939 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.089 13.606 11.405 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.092 12.250 11.882 1.00 0.00 H new ATOM 0 HG SER A 20 7.357 14.211 11.570 1.00 0.00 H new ATOM 337 N TRP A 21 3.457 12.813 8.779 1.00 0.00 N ATOM 338 CA TRP A 21 2.537 13.653 7.977 1.00 0.00 C ATOM 339 C TRP A 21 1.174 13.727 8.644 1.00 0.00 C ATOM 340 O TRP A 21 0.485 12.735 8.786 1.00 0.00 O ATOM 341 CB TRP A 21 2.407 13.066 6.549 1.00 0.00 C ATOM 342 CG TRP A 21 1.554 11.781 6.540 1.00 0.00 C ATOM 343 CD1 TRP A 21 0.251 11.757 6.279 1.00 0.00 C ATOM 344 CD2 TRP A 21 2.031 10.557 6.668 1.00 0.00 C ATOM 345 NE1 TRP A 21 -0.044 10.439 6.241 1.00 0.00 N ATOM 346 CE2 TRP A 21 1.032 9.614 6.478 1.00 0.00 C ATOM 347 CE3 TRP A 21 3.321 10.133 6.939 1.00 0.00 C ATOM 348 CZ2 TRP A 21 1.321 8.267 6.555 1.00 0.00 C ATOM 349 CZ3 TRP A 21 3.604 8.781 7.017 1.00 0.00 C ATOM 350 CH2 TRP A 21 2.604 7.852 6.824 1.00 0.00 C ATOM 0 H TRP A 21 3.042 11.972 9.181 1.00 0.00 H new ATOM 0 HA TRP A 21 2.942 14.663 7.911 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.956 13.808 5.890 1.00 0.00 H new ATOM 0 HB3 TRP A 21 3.399 12.848 6.153 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -0.415 12.594 6.132 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -0.982 10.086 6.053 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.107 10.858 7.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 0.539 7.538 6.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.611 8.453 7.230 1.00 0.00 H new ATOM 0 HH2 TRP A 21 2.828 6.797 6.884 1.00 0.00 H new ATOM 361 N LEU A 22 0.814 14.919 9.042 1.00 0.00 N ATOM 362 CA LEU A 22 -0.490 15.116 9.708 1.00 0.00 C ATOM 363 C LEU A 22 -1.602 15.148 8.679 1.00 0.00 C ATOM 364 O LEU A 22 -1.373 15.493 7.536 1.00 0.00 O ATOM 365 CB LEU A 22 -0.462 16.491 10.425 1.00 0.00 C ATOM 366 CG LEU A 22 0.421 16.451 11.697 1.00 0.00 C ATOM 367 CD1 LEU A 22 -0.313 15.736 12.827 1.00 0.00 C ATOM 368 CD2 LEU A 22 1.738 15.718 11.419 1.00 0.00 C ATOM 0 H LEU A 22 1.375 15.763 8.930 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.666 14.301 10.410 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.083 17.251 9.742 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.477 16.782 10.695 1.00 0.00 H new ATOM 0 HG LEU A 22 0.635 17.479 11.989 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.319 15.715 13.715 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.238 16.266 13.052 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.544 14.715 12.522 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.343 15.701 12.325 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.526 14.696 11.105 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.282 16.235 10.629 1.00 0.00 H new ATOM 380 N ARG A 23 -2.788 14.784 9.102 1.00 0.00 N ATOM 381 CA ARG A 23 -3.937 14.786 8.161 1.00 0.00 C ATOM 382 C ARG A 23 -5.097 15.619 8.737 1.00 0.00 C ATOM 383 O ARG A 23 -5.200 15.782 9.938 1.00 0.00 O ATOM 384 CB ARG A 23 -4.406 13.327 7.972 1.00 0.00 C ATOM 385 CG ARG A 23 -3.707 12.712 6.743 1.00 0.00 C ATOM 386 CD ARG A 23 -3.456 11.223 6.997 1.00 0.00 C ATOM 387 NE ARG A 23 -4.606 10.658 7.754 1.00 0.00 N ATOM 388 CZ ARG A 23 -4.492 9.481 8.310 1.00 0.00 C ATOM 389 NH1 ARG A 23 -3.337 9.123 8.806 1.00 0.00 N ATOM 390 NH2 ARG A 23 -5.538 8.702 8.350 1.00 0.00 N ATOM 0 H ARG A 23 -3.004 14.488 10.054 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.632 15.222 7.209 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.177 12.743 8.863 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.488 13.297 7.840 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.326 12.842 5.855 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.764 13.224 6.552 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.333 10.696 6.051 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.532 11.088 7.560 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.475 11.185 7.838 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.541 9.759 8.756 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.231 8.208 9.243 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.423 9.016 7.952 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.471 7.779 8.779 1.00 0.00 H new ATOM 404 N PRO A 24 -5.963 16.137 7.861 1.00 0.00 N ATOM 405 CA PRO A 24 -7.096 16.942 8.308 1.00 0.00 C ATOM 406 C PRO A 24 -8.007 16.172 9.248 1.00 0.00 C ATOM 407 O PRO A 24 -7.947 14.961 9.334 1.00 0.00 O ATOM 408 CB PRO A 24 -7.876 17.289 7.026 1.00 0.00 C ATOM 409 CG PRO A 24 -7.149 16.599 5.838 1.00 0.00 C ATOM 410 CD PRO A 24 -5.879 15.945 6.397 1.00 0.00 C ATOM 0 HA PRO A 24 -6.749 17.819 8.855 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.907 16.943 7.098 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.912 18.368 6.879 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.794 15.852 5.375 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.898 17.327 5.066 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.834 14.887 6.140 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.982 16.411 5.988 1.00 0.00 H new ATOM 418 N VAL A 25 -8.837 16.900 9.932 1.00 0.00 N ATOM 419 CA VAL A 25 -9.774 16.262 10.878 1.00 0.00 C ATOM 420 C VAL A 25 -11.019 15.784 10.150 1.00 0.00 C ATOM 421 O VAL A 25 -11.219 16.093 8.993 1.00 0.00 O ATOM 422 CB VAL A 25 -10.191 17.311 11.925 1.00 0.00 C ATOM 423 CG1 VAL A 25 -8.976 18.175 12.293 1.00 0.00 C ATOM 424 CG2 VAL A 25 -11.287 18.201 11.340 1.00 0.00 C ATOM 0 H VAL A 25 -8.904 17.916 9.873 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.287 15.408 11.348 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.565 16.808 12.817 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.269 18.918 13.034 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.191 17.542 12.705 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.604 18.679 11.401 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.585 18.945 12.079 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.910 18.704 10.450 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.149 17.589 11.074 1.00 0.00 H new ATOM 434 N LEU A 26 -11.836 15.042 10.838 1.00 0.00 N ATOM 435 CA LEU A 26 -13.065 14.543 10.198 1.00 0.00 C ATOM 436 C LEU A 26 -14.062 15.679 10.045 1.00 0.00 C ATOM 437 O LEU A 26 -14.286 16.174 8.959 1.00 0.00 O ATOM 438 CB LEU A 26 -13.708 13.423 11.074 1.00 0.00 C ATOM 439 CG LEU A 26 -12.925 13.207 12.390 1.00 0.00 C ATOM 440 CD1 LEU A 26 -13.221 14.356 13.368 1.00 0.00 C ATOM 441 CD2 LEU A 26 -13.386 11.893 13.022 1.00 0.00 C ATOM 0 H LEU A 26 -11.702 14.764 11.810 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.809 14.139 9.218 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.740 13.688 11.304 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.736 12.491 10.510 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.856 13.177 12.178 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.667 14.198 14.293 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.918 15.302 12.920 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -14.289 14.383 13.585 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.842 11.726 13.952 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -14.455 11.945 13.231 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -13.190 11.070 12.335 1.00 0.00 H new ATOM 453 N ARG A 27 -14.635 16.072 11.140 1.00 0.00 N ATOM 454 CA ARG A 27 -15.621 17.175 11.099 1.00 0.00 C ATOM 455 C ARG A 27 -15.529 18.006 12.368 1.00 0.00 C ATOM 456 O ARG A 27 -16.024 19.115 12.429 1.00 0.00 O ATOM 457 CB ARG A 27 -17.027 16.566 10.993 1.00 0.00 C ATOM 458 CG ARG A 27 -17.100 15.713 9.727 1.00 0.00 C ATOM 459 CD ARG A 27 -18.565 15.436 9.386 1.00 0.00 C ATOM 460 NE ARG A 27 -18.618 14.527 8.204 1.00 0.00 N ATOM 461 CZ ARG A 27 -18.777 15.033 7.012 1.00 0.00 C ATOM 462 NH1 ARG A 27 -17.938 15.941 6.593 1.00 0.00 N ATOM 463 NH2 ARG A 27 -19.769 14.610 6.274 1.00 0.00 N ATOM 0 H ARG A 27 -14.462 15.676 12.064 1.00 0.00 H new ATOM 0 HA ARG A 27 -15.417 17.817 10.242 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -17.242 15.957 11.871 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -17.779 17.355 10.960 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -16.613 16.229 8.899 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -16.566 14.775 9.876 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -19.071 14.979 10.237 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -19.085 16.369 9.169 1.00 0.00 H new ATOM 0 HE ARG A 27 -18.531 13.518 8.327 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -17.172 16.245 7.195 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -18.048 16.347 5.664 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -20.403 13.896 6.633 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -19.909 14.994 5.339 1.00 0.00 H new ATOM 477 N SER A 28 -14.892 17.451 13.364 1.00 0.00 N ATOM 478 CA SER A 28 -14.750 18.183 14.638 1.00 0.00 C ATOM 479 C SER A 28 -13.464 19.005 14.640 1.00 0.00 C ATOM 480 O SER A 28 -13.364 20.003 13.954 1.00 0.00 O ATOM 481 CB SER A 28 -14.689 17.155 15.775 1.00 0.00 C ATOM 482 OG SER A 28 -16.040 16.746 15.949 1.00 0.00 O ATOM 0 H SER A 28 -14.467 16.524 13.343 1.00 0.00 H new ATOM 0 HA SER A 28 -15.596 18.858 14.768 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.048 16.312 15.516 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.285 17.594 16.687 1.00 0.00 H new ATOM 0 HG SER A 28 -16.090 16.079 16.666 1.00 0.00 H new ATOM 488 N ASN A 29 -12.497 18.572 15.410 1.00 0.00 N ATOM 489 CA ASN A 29 -11.216 19.326 15.460 1.00 0.00 C ATOM 490 C ASN A 29 -10.040 18.399 15.761 1.00 0.00 C ATOM 491 O ASN A 29 -8.949 18.853 16.044 1.00 0.00 O ATOM 492 CB ASN A 29 -11.313 20.377 16.580 1.00 0.00 C ATOM 493 CG ASN A 29 -10.905 21.747 16.027 1.00 0.00 C ATOM 494 OD1 ASN A 29 -11.494 22.253 15.092 1.00 0.00 O ATOM 495 ND2 ASN A 29 -9.904 22.380 16.578 1.00 0.00 N ATOM 0 H ASN A 29 -12.541 17.739 15.998 1.00 0.00 H new ATOM 0 HA ASN A 29 -11.048 19.795 14.490 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.330 20.418 16.969 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -10.665 20.100 17.411 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -9.621 23.293 16.223 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.406 21.961 17.363 1.00 0.00 H new ATOM 502 N ARG A 30 -10.280 17.115 15.698 1.00 0.00 N ATOM 503 CA ARG A 30 -9.188 16.160 15.976 1.00 0.00 C ATOM 504 C ARG A 30 -8.217 16.089 14.818 1.00 0.00 C ATOM 505 O ARG A 30 -8.609 15.990 13.681 1.00 0.00 O ATOM 506 CB ARG A 30 -9.804 14.780 16.175 1.00 0.00 C ATOM 507 CG ARG A 30 -10.609 14.775 17.466 1.00 0.00 C ATOM 508 CD ARG A 30 -10.030 13.723 18.398 1.00 0.00 C ATOM 509 NE ARG A 30 -10.855 13.659 19.640 1.00 0.00 N ATOM 510 CZ ARG A 30 -11.402 12.524 19.991 1.00 0.00 C ATOM 511 NH1 ARG A 30 -12.388 12.054 19.280 1.00 0.00 N ATOM 512 NH2 ARG A 30 -10.947 11.900 21.042 1.00 0.00 N ATOM 0 H ARG A 30 -11.181 16.697 15.467 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.647 16.490 16.863 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.446 14.530 15.331 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.022 14.022 16.217 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.574 15.757 17.937 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.657 14.559 17.257 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.017 12.751 17.905 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.997 13.968 18.646 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.991 14.494 20.210 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.720 12.570 18.465 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.827 11.170 19.538 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.175 12.298 21.577 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.363 11.014 21.329 1.00 0.00 H new ATOM 526 N VAL A 31 -6.968 16.113 15.136 1.00 0.00 N ATOM 527 CA VAL A 31 -5.935 16.048 14.068 1.00 0.00 C ATOM 528 C VAL A 31 -5.348 14.646 13.965 1.00 0.00 C ATOM 529 O VAL A 31 -5.016 14.040 14.964 1.00 0.00 O ATOM 530 CB VAL A 31 -4.808 17.028 14.433 1.00 0.00 C ATOM 531 CG1 VAL A 31 -5.251 18.453 14.084 1.00 0.00 C ATOM 532 CG2 VAL A 31 -4.530 16.946 15.938 1.00 0.00 C ATOM 0 H VAL A 31 -6.608 16.175 16.088 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.391 16.305 13.112 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.905 16.772 13.878 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.457 19.154 14.340 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.462 18.517 13.016 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.150 18.703 14.647 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.731 17.640 16.199 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.433 17.208 16.490 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.228 15.931 16.197 1.00 0.00 H new ATOM 542 N GLU A 32 -5.228 14.146 12.758 1.00 0.00 N ATOM 543 CA GLU A 32 -4.662 12.783 12.606 1.00 0.00 C ATOM 544 C GLU A 32 -3.159 12.870 12.461 1.00 0.00 C ATOM 545 O GLU A 32 -2.662 13.447 11.513 1.00 0.00 O ATOM 546 CB GLU A 32 -5.245 12.130 11.342 1.00 0.00 C ATOM 547 CG GLU A 32 -6.379 11.178 11.738 1.00 0.00 C ATOM 548 CD GLU A 32 -7.513 11.978 12.382 1.00 0.00 C ATOM 549 OE1 GLU A 32 -7.207 12.683 13.328 1.00 0.00 O ATOM 550 OE2 GLU A 32 -8.622 11.839 11.890 1.00 0.00 O ATOM 0 H GLU A 32 -5.493 14.616 11.893 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.913 12.189 13.485 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.619 12.896 10.663 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.466 11.584 10.809 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.747 10.648 10.860 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.010 10.425 12.434 1.00 0.00 H new ATOM 557 N TYR A 33 -2.459 12.292 13.403 1.00 0.00 N ATOM 558 CA TYR A 33 -0.983 12.327 13.347 1.00 0.00 C ATOM 559 C TYR A 33 -0.446 10.943 13.058 1.00 0.00 C ATOM 560 O TYR A 33 -0.562 10.046 13.871 1.00 0.00 O ATOM 561 CB TYR A 33 -0.483 12.816 14.723 1.00 0.00 C ATOM 562 CG TYR A 33 1.065 12.731 14.854 1.00 0.00 C ATOM 563 CD1 TYR A 33 1.913 12.576 13.749 1.00 0.00 C ATOM 564 CD2 TYR A 33 1.632 12.785 16.110 1.00 0.00 C ATOM 565 CE1 TYR A 33 3.276 12.475 13.927 1.00 0.00 C ATOM 566 CE2 TYR A 33 2.995 12.684 16.278 1.00 0.00 C ATOM 567 CZ TYR A 33 3.828 12.529 15.193 1.00 0.00 C ATOM 568 OH TYR A 33 5.195 12.429 15.367 1.00 0.00 O ATOM 0 H TYR A 33 -2.853 11.800 14.205 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.640 12.994 12.556 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.802 13.847 14.878 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.945 12.218 15.508 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.497 12.536 12.753 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.997 12.908 16.975 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.919 12.352 13.068 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.415 12.727 17.272 1.00 0.00 H new ATOM 0 HH TYR A 33 5.408 12.488 16.322 1.00 0.00 H new ATOM 578 N CYS A 34 0.136 10.793 11.890 1.00 0.00 N ATOM 579 CA CYS A 34 0.689 9.475 11.517 1.00 0.00 C ATOM 580 C CYS A 34 2.055 9.590 10.893 1.00 0.00 C ATOM 581 O CYS A 34 2.393 10.584 10.280 1.00 0.00 O ATOM 582 CB CYS A 34 -0.268 8.829 10.502 1.00 0.00 C ATOM 583 SG CYS A 34 0.069 7.126 9.985 1.00 0.00 S ATOM 0 H CYS A 34 0.246 11.528 11.191 1.00 0.00 H new ATOM 0 HA CYS A 34 0.788 8.873 12.420 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.272 8.858 10.924 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.280 9.454 9.609 1.00 0.00 H new ATOM 588 N TRP A 35 2.813 8.555 11.063 1.00 0.00 N ATOM 589 CA TRP A 35 4.173 8.537 10.505 1.00 0.00 C ATOM 590 C TRP A 35 4.566 7.121 10.111 1.00 0.00 C ATOM 591 O TRP A 35 4.105 6.167 10.693 1.00 0.00 O ATOM 592 CB TRP A 35 5.137 9.020 11.589 1.00 0.00 C ATOM 593 CG TRP A 35 5.651 7.802 12.363 1.00 0.00 C ATOM 594 CD1 TRP A 35 6.715 7.117 12.007 1.00 0.00 C ATOM 595 CD2 TRP A 35 5.097 7.293 13.448 1.00 0.00 C ATOM 596 NE1 TRP A 35 6.805 6.152 12.926 1.00 0.00 N ATOM 597 CE2 TRP A 35 5.811 6.190 13.888 1.00 0.00 C ATOM 598 CE3 TRP A 35 3.965 7.693 14.144 1.00 0.00 C ATOM 599 CZ2 TRP A 35 5.402 5.500 15.012 1.00 0.00 C ATOM 600 CZ3 TRP A 35 3.561 6.996 15.268 1.00 0.00 C ATOM 601 CH2 TRP A 35 4.279 5.904 15.699 1.00 0.00 C ATOM 0 H TRP A 35 2.542 7.713 11.571 1.00 0.00 H new ATOM 0 HA TRP A 35 4.212 9.177 9.624 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.969 9.562 11.141 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.632 9.712 12.264 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.367 7.294 11.164 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.543 5.448 12.919 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.399 8.549 13.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.963 4.643 15.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.680 7.309 15.809 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.961 5.363 16.578 1.00 0.00 H new ATOM 612 N CYS A 36 5.420 7.013 9.140 1.00 0.00 N ATOM 613 CA CYS A 36 5.856 5.665 8.693 1.00 0.00 C ATOM 614 C CYS A 36 6.885 5.064 9.647 1.00 0.00 C ATOM 615 O CYS A 36 8.000 5.526 9.724 1.00 0.00 O ATOM 616 CB CYS A 36 6.509 5.818 7.321 1.00 0.00 C ATOM 617 SG CYS A 36 6.419 4.415 6.185 1.00 0.00 S ATOM 0 H CYS A 36 5.835 7.797 8.636 1.00 0.00 H new ATOM 0 HA CYS A 36 4.988 5.006 8.664 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.056 6.678 6.828 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.561 6.057 7.475 1.00 0.00 H new ATOM 622 N ASN A 37 6.502 4.031 10.348 1.00 0.00 N ATOM 623 CA ASN A 37 7.465 3.410 11.291 1.00 0.00 C ATOM 624 C ASN A 37 8.355 2.415 10.561 1.00 0.00 C ATOM 625 O ASN A 37 9.364 1.979 11.080 1.00 0.00 O ATOM 626 CB ASN A 37 6.673 2.666 12.378 1.00 0.00 C ATOM 627 CG ASN A 37 7.642 1.864 13.249 1.00 0.00 C ATOM 628 OD1 ASN A 37 8.548 2.406 13.850 1.00 0.00 O ATOM 629 ND2 ASN A 37 7.486 0.573 13.346 1.00 0.00 N ATOM 0 H ASN A 37 5.579 3.599 10.308 1.00 0.00 H new ATOM 0 HA ASN A 37 8.090 4.187 11.731 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.118 3.377 12.991 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.941 2.000 11.920 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.123 0.024 13.924 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.727 0.112 12.844 1.00 0.00 H new ATOM 636 N SER A 38 7.962 2.075 9.364 1.00 0.00 N ATOM 637 CA SER A 38 8.764 1.113 8.574 1.00 0.00 C ATOM 638 C SER A 38 8.175 0.947 7.182 1.00 0.00 C ATOM 639 O SER A 38 8.882 0.677 6.231 1.00 0.00 O ATOM 640 CB SER A 38 8.730 -0.247 9.287 1.00 0.00 C ATOM 641 OG SER A 38 10.041 -0.398 9.810 1.00 0.00 O ATOM 0 H SER A 38 7.121 2.424 8.904 1.00 0.00 H new ATOM 0 HA SER A 38 9.785 1.483 8.486 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.981 -0.263 10.079 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.481 -1.053 8.596 1.00 0.00 H new ATOM 0 HG SER A 38 10.244 0.352 10.407 1.00 0.00 H new ATOM 647 N GLY A 39 6.886 1.117 7.087 1.00 0.00 N ATOM 648 CA GLY A 39 6.218 0.975 5.765 1.00 0.00 C ATOM 649 C GLY A 39 4.763 0.553 5.961 1.00 0.00 C ATOM 650 O GLY A 39 4.118 0.099 5.036 1.00 0.00 O ATOM 0 H GLY A 39 6.268 1.347 7.865 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.262 1.919 5.222 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.742 0.235 5.160 1.00 0.00 H new ATOM 654 N ARG A 40 4.282 0.716 7.172 1.00 0.00 N ATOM 655 CA ARG A 40 2.874 0.338 7.475 1.00 0.00 C ATOM 656 C ARG A 40 2.087 1.554 7.942 1.00 0.00 C ATOM 657 O ARG A 40 0.961 1.441 8.388 1.00 0.00 O ATOM 658 CB ARG A 40 2.886 -0.712 8.603 1.00 0.00 C ATOM 659 CG ARG A 40 3.646 -0.151 9.810 1.00 0.00 C ATOM 660 CD ARG A 40 3.871 -1.274 10.826 1.00 0.00 C ATOM 661 NE ARG A 40 5.098 -2.032 10.442 1.00 0.00 N ATOM 662 CZ ARG A 40 5.026 -3.323 10.270 1.00 0.00 C ATOM 663 NH1 ARG A 40 4.626 -3.785 9.116 1.00 0.00 N ATOM 664 NH2 ARG A 40 5.357 -4.112 11.257 1.00 0.00 N ATOM 0 H ARG A 40 4.808 1.095 7.960 1.00 0.00 H new ATOM 0 HA ARG A 40 2.405 -0.062 6.576 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.866 -0.968 8.888 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.359 -1.630 8.256 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.602 0.266 9.492 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.080 0.661 10.266 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.982 -0.860 11.828 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.008 -1.940 10.850 1.00 0.00 H new ATOM 0 HE ARG A 40 5.985 -1.545 10.315 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.376 -3.139 8.367 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.564 -4.792 8.964 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.666 -3.716 12.145 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.307 -5.124 11.140 1.00 0.00 H new ATOM 678 N ALA A 41 2.700 2.699 7.828 1.00 0.00 N ATOM 679 CA ALA A 41 2.017 3.945 8.256 1.00 0.00 C ATOM 680 C ALA A 41 1.491 3.824 9.678 1.00 0.00 C ATOM 681 O ALA A 41 0.442 3.257 9.909 1.00 0.00 O ATOM 682 CB ALA A 41 0.829 4.207 7.314 1.00 0.00 C ATOM 0 H ALA A 41 3.642 2.823 7.458 1.00 0.00 H new ATOM 0 HA ALA A 41 2.736 4.764 8.219 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.318 5.121 7.618 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.192 4.317 6.292 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.134 3.369 7.363 1.00 0.00 H new ATOM 688 N GLN A 42 2.229 4.363 10.608 1.00 0.00 N ATOM 689 CA GLN A 42 1.788 4.292 12.015 1.00 0.00 C ATOM 690 C GLN A 42 0.920 5.496 12.305 1.00 0.00 C ATOM 691 O GLN A 42 1.413 6.601 12.386 1.00 0.00 O ATOM 692 CB GLN A 42 3.036 4.329 12.904 1.00 0.00 C ATOM 693 CG GLN A 42 2.893 3.285 14.006 1.00 0.00 C ATOM 694 CD GLN A 42 1.673 3.617 14.866 1.00 0.00 C ATOM 695 OE1 GLN A 42 1.687 4.544 15.651 1.00 0.00 O ATOM 696 NE2 GLN A 42 0.600 2.886 14.750 1.00 0.00 N ATOM 0 H GLN A 42 3.113 4.846 10.449 1.00 0.00 H new ATOM 0 HA GLN A 42 1.222 3.380 12.205 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.927 4.129 12.310 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.159 5.321 13.339 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.784 2.292 13.569 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.792 3.266 14.622 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.583 2.106 14.092 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.222 3.094 15.317 1.00 0.00 H new ATOM 705 N CYS A 43 -0.365 5.262 12.470 1.00 0.00 N ATOM 706 CA CYS A 43 -1.283 6.401 12.750 1.00 0.00 C ATOM 707 C CYS A 43 -1.985 6.324 14.076 1.00 0.00 C ATOM 708 O CYS A 43 -2.268 5.265 14.600 1.00 0.00 O ATOM 709 CB CYS A 43 -2.341 6.428 11.655 1.00 0.00 C ATOM 710 SG CYS A 43 -1.756 6.254 9.954 1.00 0.00 S ATOM 0 H CYS A 43 -0.806 4.343 12.423 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.668 7.301 12.777 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.055 5.628 11.852 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.886 7.369 11.732 1.00 0.00 H new ATOM 715 N HIS A 44 -2.248 7.489 14.587 1.00 0.00 N ATOM 716 CA HIS A 44 -2.937 7.610 15.883 1.00 0.00 C ATOM 717 C HIS A 44 -3.703 8.923 15.892 1.00 0.00 C ATOM 718 O HIS A 44 -3.631 9.669 14.936 1.00 0.00 O ATOM 719 CB HIS A 44 -1.890 7.601 17.008 1.00 0.00 C ATOM 720 CG HIS A 44 -0.813 8.637 16.709 1.00 0.00 C ATOM 721 ND1 HIS A 44 0.274 8.402 16.139 1.00 0.00 N ATOM 722 CD2 HIS A 44 -0.796 9.979 16.992 1.00 0.00 C ATOM 723 CE1 HIS A 44 0.975 9.453 16.033 1.00 0.00 C ATOM 724 NE2 HIS A 44 0.371 10.513 16.553 1.00 0.00 N ATOM 0 H HIS A 44 -2.007 8.377 14.147 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.627 6.780 16.035 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.366 7.821 17.964 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.443 6.611 17.095 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.587 10.524 17.486 1.00 0.00 H new ATOM 0 HE1 HIS A 44 1.951 9.482 15.572 1.00 0.00 H new ATOM 0 HE2 HIS A 44 0.698 11.477 16.608 1.00 0.00 H new ATOM 732 N SER A 45 -4.421 9.193 16.949 1.00 0.00 N ATOM 733 CA SER A 45 -5.185 10.477 16.981 1.00 0.00 C ATOM 734 C SER A 45 -5.158 11.144 18.349 1.00 0.00 C ATOM 735 O SER A 45 -5.604 10.586 19.331 1.00 0.00 O ATOM 736 CB SER A 45 -6.647 10.177 16.615 1.00 0.00 C ATOM 737 OG SER A 45 -7.401 11.001 17.493 1.00 0.00 O ATOM 0 H SER A 45 -4.512 8.599 17.773 1.00 0.00 H new ATOM 0 HA SER A 45 -4.717 11.160 16.272 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.853 10.414 15.571 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.885 9.123 16.756 1.00 0.00 H new ATOM 0 HG SER A 45 -8.357 10.871 17.323 1.00 0.00 H new ATOM 743 N VAL A 46 -4.625 12.344 18.370 1.00 0.00 N ATOM 744 CA VAL A 46 -4.539 13.111 19.635 1.00 0.00 C ATOM 745 C VAL A 46 -5.372 14.415 19.482 1.00 0.00 C ATOM 746 O VAL A 46 -5.017 15.259 18.682 1.00 0.00 O ATOM 747 CB VAL A 46 -3.066 13.502 19.860 1.00 0.00 C ATOM 748 CG1 VAL A 46 -2.767 13.498 21.359 1.00 0.00 C ATOM 749 CG2 VAL A 46 -2.165 12.487 19.168 1.00 0.00 C ATOM 0 H VAL A 46 -4.245 12.821 17.552 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.914 12.517 20.468 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.884 14.496 19.450 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.725 13.774 21.523 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.416 14.215 21.861 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.946 12.502 21.763 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.122 12.760 19.325 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.347 11.496 19.584 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.381 12.478 18.100 1.00 0.00 H new ATOM 759 N PRO A 47 -6.469 14.580 20.243 1.00 0.00 N ATOM 760 CA PRO A 47 -7.273 15.792 20.118 1.00 0.00 C ATOM 761 C PRO A 47 -6.467 17.035 20.445 1.00 0.00 C ATOM 762 O PRO A 47 -5.318 16.956 20.832 1.00 0.00 O ATOM 763 CB PRO A 47 -8.414 15.634 21.139 1.00 0.00 C ATOM 764 CG PRO A 47 -8.209 14.268 21.857 1.00 0.00 C ATOM 765 CD PRO A 47 -6.947 13.621 21.260 1.00 0.00 C ATOM 0 HA PRO A 47 -7.634 15.912 19.097 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.401 16.452 21.859 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.383 15.664 20.640 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.095 14.412 22.931 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.076 13.624 21.712 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.191 13.450 22.027 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.174 12.653 20.814 1.00 0.00 H new ATOM 773 N VAL A 48 -7.090 18.164 20.284 1.00 0.00 N ATOM 774 CA VAL A 48 -6.391 19.434 20.576 1.00 0.00 C ATOM 775 C VAL A 48 -6.491 19.787 22.054 1.00 0.00 C ATOM 776 O VAL A 48 -5.556 20.298 22.637 1.00 0.00 O ATOM 777 CB VAL A 48 -7.061 20.540 19.753 1.00 0.00 C ATOM 778 CG1 VAL A 48 -8.456 20.819 20.321 1.00 0.00 C ATOM 779 CG2 VAL A 48 -6.218 21.816 19.829 1.00 0.00 C ATOM 0 H VAL A 48 -8.053 18.260 19.963 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.336 19.332 20.321 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.145 20.221 18.714 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.936 21.605 19.738 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.058 19.911 20.270 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.369 21.139 21.359 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.695 22.602 19.244 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.135 22.136 20.868 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.223 21.619 19.430 1.00 0.00 H new ATOM 789 N LYS A 49 -7.625 19.511 22.633 1.00 0.00 N ATOM 790 CA LYS A 49 -7.801 19.825 24.072 1.00 0.00 C ATOM 791 C LYS A 49 -6.695 19.191 24.907 1.00 0.00 C ATOM 792 O LYS A 49 -6.439 18.007 24.806 1.00 0.00 O ATOM 793 CB LYS A 49 -9.154 19.255 24.529 1.00 0.00 C ATOM 794 CG LYS A 49 -10.024 20.389 25.089 1.00 0.00 C ATOM 795 CD LYS A 49 -10.474 21.296 23.939 1.00 0.00 C ATOM 796 CE LYS A 49 -10.429 22.753 24.403 1.00 0.00 C ATOM 797 NZ LYS A 49 -11.171 23.629 23.453 1.00 0.00 N ATOM 0 H LYS A 49 -8.430 19.085 22.174 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.763 20.906 24.207 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.660 18.774 23.692 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.000 18.490 25.290 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.892 19.977 25.604 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.462 20.965 25.824 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.825 21.157 23.074 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.484 21.032 23.625 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.864 22.837 25.399 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.393 23.084 24.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.130 24.614 23.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.739 23.563 22.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.164 23.323 23.401 1.00 0.00 H new ATOM 811 N SER A 50 -6.059 19.991 25.720 1.00 0.00 N ATOM 812 CA SER A 50 -4.969 19.449 26.566 1.00 0.00 C ATOM 813 C SER A 50 -4.890 20.194 27.892 1.00 0.00 C ATOM 814 O SER A 50 -4.556 19.533 28.863 1.00 0.00 O ATOM 815 CB SER A 50 -3.641 19.630 25.817 1.00 0.00 C ATOM 816 OG SER A 50 -3.303 18.318 25.391 1.00 0.00 O ATOM 817 OXT SER A 50 -5.166 21.382 27.865 1.00 0.00 O ATOM 0 H SER A 50 -6.248 20.987 25.831 1.00 0.00 H new ATOM 0 HA SER A 50 -5.165 18.396 26.769 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.750 20.308 24.971 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.872 20.049 26.465 1.00 0.00 H new ATOM 0 HG SER A 50 -4.102 17.872 25.041 1.00 0.00 H new TER 823 SER A 50