USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 377 hydrogens (7 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 NoAdj-H: B 24 DHI H2 : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD Set 1.1: B 16 TYR OH : rot 41:sc= 0.204 USER MOD Set 1.2: B 27 THR OG1 : rot 44:sc= 0.201 USER MOD Set 2.1: B 4 GLN : amide:sc= 1.64 K(o=2.4,f=-4.6!) USER MOD Set 2.2: B 10 HIS : no HD1:sc= 0.714 K(o=2.4,f=-4.7) USER MOD Single : A 1 GLY N :NH3+ 171:sc= 0.757 (180deg=0.603) USER MOD Single : A 5 GLN : amide:sc= 1.02 K(o=1,f=-0.044) USER MOD Single : A 8 THR OG1 : rot -18:sc= 0.909 USER MOD Single : A 9 SER OG : rot -66:sc= 0.67 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0178 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.606 K(o=0.61,f=-4.3!) USER MOD Single : A 18 ASN : amide:sc= 0.949 K(o=0.95,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.774 K(o=0.77,f=-0.5) USER MOD Single : B 1 PHE N :NH3+ -170:sc= -0.0314 (180deg=-0.149) USER MOD Single : B 3 ASN : amide:sc=-0.00458 K(o=-0.0046,f=-1.7) USER MOD Single : B 5 HIS : no HD1:sc= -0.0456 K(o=-0.046,f=-0.6) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.364 -0.651 13.194 1.00 0.00 N ATOM 2 CA GLY A 1 5.510 -1.462 11.968 1.00 0.00 C ATOM 3 C GLY A 1 4.148 -1.834 11.399 1.00 0.00 C ATOM 4 O GLY A 1 3.288 -2.299 12.144 1.00 0.00 O ATOM 0 H1 GLY A 1 6.293 -0.538 13.648 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.982 0.285 12.948 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.714 -1.128 13.851 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.080 -0.905 11.224 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.075 -2.367 12.191 1.00 0.00 H new ATOM 10 N ILE A 2 3.877 -1.675 10.098 1.00 0.00 N ATOM 11 CA ILE A 2 4.751 -1.138 9.029 1.00 0.00 C ATOM 12 C ILE A 2 4.316 0.273 8.571 1.00 0.00 C ATOM 13 O ILE A 2 5.076 0.977 7.911 1.00 0.00 O ATOM 14 CB ILE A 2 4.744 -2.077 7.794 1.00 0.00 C ATOM 15 CG1 ILE A 2 4.572 -3.592 8.044 1.00 0.00 C ATOM 16 CG2 ILE A 2 5.997 -1.834 6.930 1.00 0.00 C ATOM 17 CD1 ILE A 2 5.747 -4.278 8.736 1.00 0.00 C ATOM 0 H ILE A 2 2.964 -1.939 9.727 1.00 0.00 H new ATOM 0 HA ILE A 2 5.753 -1.075 9.453 1.00 0.00 H new ATOM 0 HB ILE A 2 3.827 -1.794 7.278 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.677 -3.744 8.648 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.398 -4.084 7.087 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.979 -2.500 6.067 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.009 -0.799 6.589 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.891 -2.032 7.522 1.00 0.00 H new ATOM 0 HD11 ILE A 2 5.526 -5.338 8.864 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.644 -4.166 8.127 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.912 -3.821 9.712 1.00 0.00 H new ATOM 29 N VAL A 3 3.086 0.694 8.885 1.00 0.00 N ATOM 30 CA VAL A 3 2.430 1.868 8.268 1.00 0.00 C ATOM 31 C VAL A 3 3.176 3.190 8.474 1.00 0.00 C ATOM 32 O VAL A 3 3.105 4.065 7.614 1.00 0.00 O ATOM 33 CB VAL A 3 0.962 2.011 8.719 1.00 0.00 C ATOM 34 CG1 VAL A 3 0.119 0.832 8.218 1.00 0.00 C ATOM 35 CG2 VAL A 3 0.796 2.132 10.240 1.00 0.00 C ATOM 0 H VAL A 3 2.505 0.228 9.582 1.00 0.00 H new ATOM 0 HA VAL A 3 2.457 1.662 7.198 1.00 0.00 H new ATOM 0 HB VAL A 3 0.612 2.943 8.276 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.912 0.956 8.549 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.149 0.800 7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.520 -0.099 8.620 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.262 2.229 10.484 1.00 0.00 H new ATOM 0 HG22 VAL A 3 1.199 1.241 10.722 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.333 3.011 10.596 1.00 0.00 H new ATOM 45 N GLU A 4 3.960 3.336 9.543 1.00 0.00 N ATOM 46 CA GLU A 4 4.801 4.519 9.774 1.00 0.00 C ATOM 47 C GLU A 4 6.013 4.622 8.819 1.00 0.00 C ATOM 48 O GLU A 4 6.659 5.669 8.757 1.00 0.00 O ATOM 49 CB GLU A 4 5.199 4.600 11.260 1.00 0.00 C ATOM 50 CG GLU A 4 6.333 3.668 11.721 1.00 0.00 C ATOM 51 CD GLU A 4 6.045 2.161 11.606 1.00 0.00 C ATOM 52 OE1 GLU A 4 4.873 1.724 11.698 1.00 0.00 O1- ATOM 53 OE2 GLU A 4 7.016 1.379 11.475 1.00 0.00 O ATOM 0 H GLU A 4 4.032 2.634 10.280 1.00 0.00 H new ATOM 0 HA GLU A 4 4.200 5.396 9.531 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.492 5.627 11.479 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.316 4.385 11.862 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.225 3.895 11.137 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.566 3.896 12.761 1.00 0.00 H new ATOM 60 N GLN A 5 6.311 3.559 8.057 1.00 0.00 N ATOM 61 CA GLN A 5 7.346 3.532 7.018 1.00 0.00 C ATOM 62 C GLN A 5 6.809 3.952 5.636 1.00 0.00 C ATOM 63 O GLN A 5 7.510 4.667 4.917 1.00 0.00 O ATOM 64 CB GLN A 5 7.975 2.128 6.907 1.00 0.00 C ATOM 65 CG GLN A 5 8.431 1.496 8.233 1.00 0.00 C ATOM 66 CD GLN A 5 9.470 2.315 8.997 1.00 0.00 C ATOM 67 OE1 GLN A 5 10.366 2.937 8.438 1.00 0.00 O ATOM 68 NE2 GLN A 5 9.409 2.327 10.310 1.00 0.00 N ATOM 0 H GLN A 5 5.822 2.669 8.151 1.00 0.00 H new ATOM 0 HA GLN A 5 8.102 4.256 7.323 1.00 0.00 H new ATOM 0 HB2 GLN A 5 7.251 1.462 6.438 1.00 0.00 H new ATOM 0 HB3 GLN A 5 8.834 2.186 6.239 1.00 0.00 H new ATOM 0 HG2 GLN A 5 7.559 1.351 8.871 1.00 0.00 H new ATOM 0 HG3 GLN A 5 8.844 0.508 8.028 1.00 0.00 H new ATOM 0 HE21 GLN A 5 8.670 1.815 10.791 1.00 0.00 H new ATOM 0 HE22 GLN A 5 10.101 2.849 10.848 1.00 0.00 H new ATOM 77 N CYS A 6 5.601 3.494 5.262 1.00 0.00 N ATOM 78 CA CYS A 6 5.091 3.544 3.878 1.00 0.00 C ATOM 79 C CYS A 6 3.641 4.051 3.700 1.00 0.00 C ATOM 80 O CYS A 6 3.141 4.040 2.573 1.00 0.00 O ATOM 81 CB CYS A 6 5.255 2.158 3.227 1.00 0.00 C ATOM 82 SG CYS A 6 6.953 1.548 3.034 1.00 0.00 S ATOM 0 H CYS A 6 4.943 3.074 5.919 1.00 0.00 H new ATOM 0 HA CYS A 6 5.697 4.300 3.379 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.698 1.434 3.822 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.789 2.187 2.242 1.00 0.00 H new ATOM 87 N CYS A 7 2.952 4.502 4.757 1.00 0.00 N ATOM 88 CA CYS A 7 1.671 5.214 4.640 1.00 0.00 C ATOM 89 C CYS A 7 1.855 6.727 4.853 1.00 0.00 C ATOM 90 O CYS A 7 2.669 7.153 5.675 1.00 0.00 O ATOM 91 CB CYS A 7 0.617 4.605 5.571 1.00 0.00 C ATOM 92 SG CYS A 7 -1.070 5.239 5.334 1.00 0.00 S ATOM 0 H CYS A 7 3.268 4.383 5.720 1.00 0.00 H new ATOM 0 HA CYS A 7 1.298 5.089 3.624 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.607 3.525 5.427 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.916 4.787 6.603 1.00 0.00 H new ATOM 97 N THR A 8 1.120 7.552 4.093 1.00 0.00 N ATOM 98 CA THR A 8 1.282 9.027 3.994 1.00 0.00 C ATOM 99 C THR A 8 2.705 9.496 3.629 1.00 0.00 C ATOM 100 O THR A 8 3.066 10.659 3.820 1.00 0.00 O ATOM 101 CB THR A 8 0.696 9.783 5.209 1.00 0.00 C ATOM 102 OG1 THR A 8 1.413 9.540 6.403 1.00 0.00 O ATOM 103 CG2 THR A 8 -0.768 9.415 5.470 1.00 0.00 C ATOM 0 H THR A 8 0.364 7.205 3.503 1.00 0.00 H new ATOM 0 HA THR A 8 0.674 9.305 3.133 1.00 0.00 H new ATOM 0 HB THR A 8 0.777 10.836 4.941 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.962 8.735 6.297 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.135 9.971 6.333 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.368 9.666 4.595 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.845 8.346 5.668 1.00 0.00 H new ATOM 111 N SER A 9 3.525 8.588 3.089 1.00 0.00 N ATOM 112 CA SER A 9 4.959 8.752 2.821 1.00 0.00 C ATOM 113 C SER A 9 5.410 7.852 1.664 1.00 0.00 C ATOM 114 O SER A 9 4.810 6.809 1.396 1.00 0.00 O ATOM 115 CB SER A 9 5.782 8.444 4.081 1.00 0.00 C ATOM 116 OG SER A 9 5.415 7.204 4.668 1.00 0.00 O ATOM 0 H SER A 9 3.187 7.667 2.811 1.00 0.00 H new ATOM 0 HA SER A 9 5.129 9.790 2.534 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.842 8.424 3.826 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.644 9.244 4.808 1.00 0.00 H new ATOM 0 HG SER A 9 4.500 7.264 5.013 1.00 0.00 H new ATOM 122 N ILE A 10 6.454 8.271 0.944 1.00 0.00 N ATOM 123 CA ILE A 10 6.927 7.593 -0.274 1.00 0.00 C ATOM 124 C ILE A 10 7.702 6.312 0.077 1.00 0.00 C ATOM 125 O ILE A 10 8.595 6.342 0.927 1.00 0.00 O ATOM 126 CB ILE A 10 7.758 8.562 -1.154 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.890 9.768 -1.588 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.325 7.828 -2.384 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.643 10.857 -2.364 1.00 0.00 C ATOM 0 H ILE A 10 7.001 9.096 1.189 1.00 0.00 H new ATOM 0 HA ILE A 10 6.061 7.289 -0.862 1.00 0.00 H new ATOM 0 HB ILE A 10 8.597 8.933 -0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.069 9.403 -2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.446 10.216 -0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.905 8.525 -2.989 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.968 7.011 -2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.504 7.428 -2.979 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.954 11.660 -2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.447 11.255 -1.745 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.064 10.430 -3.274 1.00 0.00 H new ATOM 141 N CYS A 11 7.402 5.210 -0.622 1.00 0.00 N ATOM 142 CA CYS A 11 8.162 3.957 -0.554 1.00 0.00 C ATOM 143 C CYS A 11 8.444 3.347 -1.935 1.00 0.00 C ATOM 144 O CYS A 11 7.572 3.294 -2.807 1.00 0.00 O ATOM 145 CB CYS A 11 7.457 2.932 0.349 1.00 0.00 C ATOM 146 SG CYS A 11 7.916 3.076 2.092 1.00 0.00 S ATOM 0 H CYS A 11 6.609 5.164 -1.262 1.00 0.00 H new ATOM 0 HA CYS A 11 9.128 4.213 -0.118 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.378 3.056 0.253 1.00 0.00 H new ATOM 0 HB3 CYS A 11 7.695 1.927 0.000 1.00 0.00 H new ATOM 151 N SER A 12 9.658 2.813 -2.086 1.00 0.00 N ATOM 152 CA SER A 12 10.035 1.872 -3.144 1.00 0.00 C ATOM 153 C SER A 12 9.483 0.469 -2.861 1.00 0.00 C ATOM 154 O SER A 12 9.241 0.101 -1.708 1.00 0.00 O ATOM 155 CB SER A 12 11.565 1.844 -3.273 1.00 0.00 C ATOM 156 OG SER A 12 11.982 0.857 -4.203 1.00 0.00 O ATOM 0 H SER A 12 10.430 3.030 -1.456 1.00 0.00 H new ATOM 0 HA SER A 12 9.601 2.205 -4.087 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.924 2.823 -3.591 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.011 1.642 -2.299 1.00 0.00 H new ATOM 0 HG SER A 12 12.960 0.861 -4.268 1.00 0.00 H new ATOM 162 N LEU A 13 9.358 -0.367 -3.893 1.00 0.00 N ATOM 163 CA LEU A 13 9.028 -1.790 -3.747 1.00 0.00 C ATOM 164 C LEU A 13 10.091 -2.590 -2.970 1.00 0.00 C ATOM 165 O LEU A 13 9.764 -3.603 -2.354 1.00 0.00 O ATOM 166 CB LEU A 13 8.685 -2.379 -5.122 1.00 0.00 C ATOM 167 CG LEU A 13 9.792 -2.381 -6.200 1.00 0.00 C ATOM 168 CD1 LEU A 13 10.736 -3.581 -6.089 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.149 -2.442 -7.588 1.00 0.00 C ATOM 0 H LEU A 13 9.483 -0.075 -4.862 1.00 0.00 H new ATOM 0 HA LEU A 13 8.142 -1.875 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.360 -3.409 -4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.832 -1.829 -5.519 1.00 0.00 H new ATOM 0 HG LEU A 13 10.369 -1.469 -6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.490 -3.524 -6.874 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.224 -3.571 -5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.166 -4.504 -6.200 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.928 -2.443 -8.350 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.555 -3.352 -7.674 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.505 -1.574 -7.729 1.00 0.00 H new ATOM 181 N TYR A 14 11.328 -2.083 -2.900 1.00 0.00 N ATOM 182 CA TYR A 14 12.368 -2.581 -1.990 1.00 0.00 C ATOM 183 C TYR A 14 11.966 -2.434 -0.508 1.00 0.00 C ATOM 184 O TYR A 14 12.357 -3.245 0.333 1.00 0.00 O ATOM 185 CB TYR A 14 13.662 -1.803 -2.280 1.00 0.00 C ATOM 186 CG TYR A 14 14.790 -2.073 -1.298 1.00 0.00 C ATOM 187 CD1 TYR A 14 15.635 -3.185 -1.474 1.00 0.00 C ATOM 188 CD2 TYR A 14 14.958 -1.231 -0.180 1.00 0.00 C ATOM 189 CE1 TYR A 14 16.648 -3.456 -0.532 1.00 0.00 C ATOM 190 CE2 TYR A 14 15.957 -1.509 0.772 1.00 0.00 C ATOM 191 CZ TYR A 14 16.809 -2.623 0.597 1.00 0.00 C ATOM 192 OH TYR A 14 17.780 -2.901 1.509 1.00 0.00 O ATOM 0 H TYR A 14 11.639 -1.305 -3.481 1.00 0.00 H new ATOM 0 HA TYR A 14 12.512 -3.647 -2.163 1.00 0.00 H new ATOM 0 HB2 TYR A 14 14.004 -2.052 -3.285 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.439 -0.736 -2.274 1.00 0.00 H new ATOM 0 HD1 TYR A 14 15.507 -3.830 -2.331 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.318 -0.370 -0.053 1.00 0.00 H new ATOM 0 HE1 TYR A 14 17.303 -4.303 -0.674 1.00 0.00 H new ATOM 0 HE2 TYR A 14 16.072 -0.871 1.636 1.00 0.00 H new ATOM 0 HH TYR A 14 17.758 -2.231 2.224 1.00 0.00 H new ATOM 202 N GLN A 15 11.159 -1.418 -0.181 1.00 0.00 N ATOM 203 CA GLN A 15 10.715 -1.123 1.191 1.00 0.00 C ATOM 204 C GLN A 15 9.424 -1.873 1.531 1.00 0.00 C ATOM 205 O GLN A 15 9.245 -2.319 2.664 1.00 0.00 O ATOM 206 CB GLN A 15 10.506 0.387 1.376 1.00 0.00 C ATOM 207 CG GLN A 15 11.791 1.178 1.089 1.00 0.00 C ATOM 208 CD GLN A 15 11.576 2.685 1.156 1.00 0.00 C ATOM 209 OE1 GLN A 15 11.448 3.352 0.139 1.00 0.00 O ATOM 210 NE2 GLN A 15 11.516 3.277 2.328 1.00 0.00 N ATOM 0 H GLN A 15 10.789 -0.766 -0.872 1.00 0.00 H new ATOM 0 HA GLN A 15 11.497 -1.461 1.871 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.712 0.729 0.711 1.00 0.00 H new ATOM 0 HB3 GLN A 15 10.176 0.586 2.396 1.00 0.00 H new ATOM 0 HG2 GLN A 15 12.558 0.891 1.808 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.165 0.911 0.101 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.622 2.729 3.182 1.00 0.00 H new ATOM 0 HE22 GLN A 15 11.364 4.284 2.383 1.00 0.00 H new ATOM 219 N LEU A 16 8.557 -2.072 0.533 1.00 0.00 N ATOM 220 CA LEU A 16 7.338 -2.883 0.646 1.00 0.00 C ATOM 221 C LEU A 16 7.612 -4.347 1.039 1.00 0.00 C ATOM 222 O LEU A 16 6.752 -4.998 1.627 1.00 0.00 O ATOM 223 CB LEU A 16 6.568 -2.830 -0.683 1.00 0.00 C ATOM 224 CG LEU A 16 5.995 -1.464 -1.102 1.00 0.00 C ATOM 225 CD1 LEU A 16 4.998 -1.640 -2.248 1.00 0.00 C ATOM 226 CD2 LEU A 16 5.288 -0.714 0.029 1.00 0.00 C ATOM 0 H LEU A 16 8.684 -1.667 -0.394 1.00 0.00 H new ATOM 0 HA LEU A 16 6.742 -2.456 1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.233 -3.176 -1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.743 -3.541 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 16 6.856 -0.869 -1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.599 -0.667 -2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.502 -2.093 -3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.182 -2.285 -1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.912 0.238 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.455 -1.313 0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.992 -0.532 0.841 1.00 0.00 H new ATOM 238 N GLU A 17 8.823 -4.857 0.808 1.00 0.00 N ATOM 239 CA GLU A 17 9.271 -6.156 1.334 1.00 0.00 C ATOM 240 C GLU A 17 9.168 -6.286 2.868 1.00 0.00 C ATOM 241 O GLU A 17 9.043 -7.406 3.365 1.00 0.00 O ATOM 242 CB GLU A 17 10.717 -6.441 0.904 1.00 0.00 C ATOM 243 CG GLU A 17 10.838 -6.843 -0.571 1.00 0.00 C ATOM 244 CD GLU A 17 12.259 -7.355 -0.891 1.00 0.00 C ATOM 245 OE1 GLU A 17 12.669 -8.403 -0.331 1.00 0.00 O1- ATOM 246 OE2 GLU A 17 12.966 -6.731 -1.718 1.00 0.00 O ATOM 0 H GLU A 17 9.529 -4.380 0.247 1.00 0.00 H new ATOM 0 HA GLU A 17 8.588 -6.890 0.907 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.325 -5.554 1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.124 -7.238 1.526 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.108 -7.619 -0.801 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.605 -5.988 -1.205 1.00 0.00 H new ATOM 253 N ASN A 18 9.143 -5.187 3.637 1.00 0.00 N ATOM 254 CA ASN A 18 8.954 -5.236 5.098 1.00 0.00 C ATOM 255 C ASN A 18 7.570 -5.782 5.513 1.00 0.00 C ATOM 256 O ASN A 18 7.432 -6.350 6.596 1.00 0.00 O ATOM 257 CB ASN A 18 9.199 -3.845 5.711 1.00 0.00 C ATOM 258 CG ASN A 18 10.671 -3.468 5.729 1.00 0.00 C ATOM 259 OD1 ASN A 18 11.426 -3.860 6.608 1.00 0.00 O ATOM 260 ND2 ASN A 18 11.130 -2.711 4.762 1.00 0.00 N ATOM 0 H ASN A 18 9.253 -4.243 3.268 1.00 0.00 H new ATOM 0 HA ASN A 18 9.689 -5.940 5.489 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.643 -3.099 5.144 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.810 -3.827 6.729 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.116 -2.450 4.743 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.501 -2.384 4.029 1.00 0.00 H new ATOM 267 N TYR A 19 6.561 -5.672 4.642 1.00 0.00 N ATOM 268 CA TYR A 19 5.237 -6.288 4.818 1.00 0.00 C ATOM 269 C TYR A 19 5.243 -7.809 4.544 1.00 0.00 C ATOM 270 O TYR A 19 4.268 -8.499 4.855 1.00 0.00 O ATOM 271 CB TYR A 19 4.248 -5.608 3.864 1.00 0.00 C ATOM 272 CG TYR A 19 3.913 -4.162 4.170 1.00 0.00 C ATOM 273 CD1 TYR A 19 4.746 -3.121 3.719 1.00 0.00 C ATOM 274 CD2 TYR A 19 2.744 -3.860 4.893 1.00 0.00 C ATOM 275 CE1 TYR A 19 4.410 -1.781 3.978 1.00 0.00 C ATOM 276 CE2 TYR A 19 2.406 -2.521 5.157 1.00 0.00 C ATOM 277 CZ TYR A 19 3.230 -1.473 4.688 1.00 0.00 C ATOM 278 OH TYR A 19 2.923 -0.178 4.970 1.00 0.00 O ATOM 0 H TYR A 19 6.642 -5.141 3.775 1.00 0.00 H new ATOM 0 HA TYR A 19 4.944 -6.150 5.859 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.655 -5.660 2.854 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.321 -6.182 3.864 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.648 -3.353 3.171 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.106 -4.657 5.245 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.055 -0.987 3.633 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.513 -2.292 5.720 1.00 0.00 H new ATOM 0 HH TYR A 19 2.077 -0.142 5.463 1.00 0.00 H new ATOM 288 N CYS A 20 6.310 -8.335 3.929 1.00 0.00 N ATOM 289 CA CYS A 20 6.364 -9.681 3.352 1.00 0.00 C ATOM 290 C CYS A 20 7.399 -10.597 4.031 1.00 0.00 C ATOM 291 O CYS A 20 7.084 -11.729 4.402 1.00 0.00 O ATOM 292 CB CYS A 20 6.642 -9.534 1.848 1.00 0.00 C ATOM 293 SG CYS A 20 6.099 -10.934 0.835 1.00 0.00 S ATOM 0 H CYS A 20 7.183 -7.820 3.817 1.00 0.00 H new ATOM 0 HA CYS A 20 5.406 -10.173 3.521 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.149 -8.631 1.488 1.00 0.00 H new ATOM 0 HB3 CYS A 20 7.713 -9.392 1.703 1.00 0.00 H new ATOM 298 N ASN A 21 8.631 -10.112 4.219 1.00 0.00 N ATOM 299 CA ASN A 21 9.782 -10.912 4.648 1.00 0.00 C ATOM 300 C ASN A 21 9.729 -11.228 6.155 1.00 0.00 C ATOM 301 O ASN A 21 9.796 -10.328 7.005 1.00 0.00 O ATOM 302 CB ASN A 21 11.088 -10.196 4.235 1.00 0.00 C ATOM 303 CG ASN A 21 11.297 -10.044 2.730 1.00 0.00 C ATOM 304 OD1 ASN A 21 10.501 -10.457 1.897 1.00 0.00 O ATOM 305 ND2 ASN A 21 12.394 -9.441 2.333 1.00 0.00 N ATOM 0 H ASN A 21 8.860 -9.129 4.073 1.00 0.00 H new ATOM 0 HA ASN A 21 9.751 -11.879 4.145 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.100 -9.205 4.689 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.932 -10.747 4.649 1.00 0.00 H new ATOM 0 HD21 ASN A 21 12.577 -9.320 1.337 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.063 -9.094 3.021 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 4.009 3.700 -8.115 1.00 0.00 N ATOM 314 CA PHE B 1 4.236 2.390 -7.496 1.00 0.00 C ATOM 315 C PHE B 1 5.506 2.366 -6.622 1.00 0.00 C ATOM 316 O PHE B 1 5.576 1.643 -5.628 1.00 0.00 O ATOM 317 CB PHE B 1 4.327 1.337 -8.614 1.00 0.00 C ATOM 318 CG PHE B 1 4.180 -0.105 -8.158 1.00 0.00 C ATOM 319 CD1 PHE B 1 5.263 -0.796 -7.577 1.00 0.00 C ATOM 320 CD2 PHE B 1 2.951 -0.771 -8.338 1.00 0.00 C ATOM 321 CE1 PHE B 1 5.115 -2.136 -7.172 1.00 0.00 C ATOM 322 CE2 PHE B 1 2.813 -2.116 -7.959 1.00 0.00 C ATOM 323 CZ PHE B 1 3.893 -2.801 -7.374 1.00 0.00 C ATOM 0 H1 PHE B 1 3.065 3.719 -8.551 1.00 0.00 H new ATOM 0 H2 PHE B 1 4.071 4.442 -7.389 1.00 0.00 H new ATOM 0 H3 PHE B 1 4.730 3.869 -8.845 1.00 0.00 H new ATOM 0 HA PHE B 1 3.402 2.169 -6.830 1.00 0.00 H new ATOM 0 HB2 PHE B 1 3.555 1.548 -9.354 1.00 0.00 H new ATOM 0 HB3 PHE B 1 5.288 1.446 -9.117 1.00 0.00 H new ATOM 0 HD1 PHE B 1 6.210 -0.295 -7.442 1.00 0.00 H new ATOM 0 HD2 PHE B 1 2.112 -0.245 -8.769 1.00 0.00 H new ATOM 0 HE1 PHE B 1 5.941 -2.653 -6.706 1.00 0.00 H new ATOM 0 HE2 PHE B 1 1.874 -2.626 -8.117 1.00 0.00 H new ATOM 0 HZ PHE B 1 3.784 -3.835 -7.081 1.00 0.00 H new ATOM 333 N VAL B 2 6.513 3.159 -7.006 1.00 0.00 N ATOM 334 CA VAL B 2 7.894 3.119 -6.474 1.00 0.00 C ATOM 335 C VAL B 2 8.413 4.494 -6.009 1.00 0.00 C ATOM 336 O VAL B 2 9.432 4.581 -5.322 1.00 0.00 O ATOM 337 CB VAL B 2 8.801 2.467 -7.544 1.00 0.00 C ATOM 338 CG1 VAL B 2 9.063 3.384 -8.748 1.00 0.00 C ATOM 339 CG2 VAL B 2 10.144 1.970 -7.000 1.00 0.00 C ATOM 0 H VAL B 2 6.391 3.875 -7.722 1.00 0.00 H new ATOM 0 HA VAL B 2 7.906 2.516 -5.566 1.00 0.00 H new ATOM 0 HB VAL B 2 8.226 1.601 -7.872 1.00 0.00 H new ATOM 0 HG11 VAL B 2 9.705 2.870 -9.464 1.00 0.00 H new ATOM 0 HG12 VAL B 2 8.116 3.636 -9.226 1.00 0.00 H new ATOM 0 HG13 VAL B 2 9.554 4.297 -8.410 1.00 0.00 H new ATOM 0 HG21 VAL B 2 10.723 1.526 -7.810 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.697 2.808 -6.576 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.969 1.222 -6.227 1.00 0.00 H new ATOM 349 N ASN B 3 7.717 5.575 -6.376 1.00 0.00 N ATOM 350 CA ASN B 3 8.130 6.974 -6.185 1.00 0.00 C ATOM 351 C ASN B 3 6.982 7.898 -5.709 1.00 0.00 C ATOM 352 O ASN B 3 7.055 9.119 -5.871 1.00 0.00 O ATOM 353 CB ASN B 3 8.797 7.470 -7.487 1.00 0.00 C ATOM 354 CG ASN B 3 7.859 7.582 -8.684 1.00 0.00 C ATOM 355 OD1 ASN B 3 6.712 7.155 -8.678 1.00 0.00 O ATOM 356 ND2 ASN B 3 8.329 8.148 -9.774 1.00 0.00 N ATOM 0 H ASN B 3 6.809 5.498 -6.835 1.00 0.00 H new ATOM 0 HA ASN B 3 8.853 7.015 -5.370 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.243 8.447 -7.301 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.611 6.791 -7.743 1.00 0.00 H new ATOM 0 HD21 ASN B 3 7.739 8.227 -10.602 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.283 8.508 -9.791 1.00 0.00 H new ATOM 363 N GLN B 4 5.918 7.323 -5.136 1.00 0.00 N ATOM 364 CA GLN B 4 4.719 8.030 -4.664 1.00 0.00 C ATOM 365 C GLN B 4 4.207 7.481 -3.316 1.00 0.00 C ATOM 366 O GLN B 4 4.711 6.476 -2.813 1.00 0.00 O ATOM 367 CB GLN B 4 3.667 8.037 -5.791 1.00 0.00 C ATOM 368 CG GLN B 4 3.095 6.660 -6.196 1.00 0.00 C ATOM 369 CD GLN B 4 1.654 6.427 -5.742 1.00 0.00 C ATOM 370 OE1 GLN B 4 1.179 6.970 -4.755 1.00 0.00 O ATOM 371 NE2 GLN B 4 0.899 5.603 -6.435 1.00 0.00 N ATOM 0 H GLN B 4 5.865 6.316 -4.982 1.00 0.00 H new ATOM 0 HA GLN B 4 4.966 9.068 -4.441 1.00 0.00 H new ATOM 0 HB2 GLN B 4 2.839 8.675 -5.483 1.00 0.00 H new ATOM 0 HB3 GLN B 4 4.113 8.496 -6.673 1.00 0.00 H new ATOM 0 HG2 GLN B 4 3.144 6.563 -7.281 1.00 0.00 H new ATOM 0 HG3 GLN B 4 3.728 5.878 -5.777 1.00 0.00 H new ATOM 0 HE21 GLN B 4 1.276 5.139 -7.262 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -0.063 5.427 -6.146 1.00 0.00 H new ATOM 380 N HIS B 5 3.248 8.176 -2.695 1.00 0.00 N ATOM 381 CA HIS B 5 2.852 8.004 -1.284 1.00 0.00 C ATOM 382 C HIS B 5 1.958 6.784 -0.990 1.00 0.00 C ATOM 383 O HIS B 5 1.764 6.447 0.177 1.00 0.00 O ATOM 384 CB HIS B 5 2.191 9.304 -0.792 1.00 0.00 C ATOM 385 CG HIS B 5 3.062 10.531 -0.945 1.00 0.00 C ATOM 386 ND1 HIS B 5 3.393 11.147 -2.158 1.00 0.00 N ATOM 387 CD2 HIS B 5 3.662 11.217 0.072 1.00 0.00 C ATOM 388 CE1 HIS B 5 4.190 12.181 -1.842 1.00 0.00 C ATOM 389 NE2 HIS B 5 4.363 12.250 -0.512 1.00 0.00 N ATOM 0 H HIS B 5 2.706 8.897 -3.171 1.00 0.00 H new ATOM 0 HA HIS B 5 3.769 7.795 -0.733 1.00 0.00 H new ATOM 0 HB2 HIS B 5 1.263 9.459 -1.342 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.924 9.189 0.258 1.00 0.00 H new ATOM 0 HD2 HIS B 5 3.599 10.994 1.127 1.00 0.00 H new ATOM 0 HE1 HIS B 5 4.630 12.861 -2.557 1.00 0.00 H new ATOM 0 HE2 HIS B 5 4.919 12.948 -0.018 1.00 0.00 H new ATOM 397 N LEU B 6 1.433 6.130 -2.035 1.00 0.00 N ATOM 398 CA LEU B 6 0.692 4.853 -2.100 1.00 0.00 C ATOM 399 C LEU B 6 -0.630 4.714 -1.303 1.00 0.00 C ATOM 400 O LEU B 6 -1.544 4.003 -1.716 1.00 0.00 O ATOM 401 CB LEU B 6 1.653 3.689 -1.769 1.00 0.00 C ATOM 402 CG LEU B 6 2.787 3.415 -2.772 1.00 0.00 C ATOM 403 CD1 LEU B 6 3.755 2.390 -2.182 1.00 0.00 C ATOM 404 CD2 LEU B 6 2.262 2.859 -4.093 1.00 0.00 C ATOM 0 H LEU B 6 1.527 6.528 -2.970 1.00 0.00 H new ATOM 0 HA LEU B 6 0.332 4.825 -3.128 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.102 3.886 -0.795 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.062 2.779 -1.669 1.00 0.00 H new ATOM 0 HG LEU B 6 3.284 4.366 -2.963 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.558 2.196 -2.893 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.177 2.779 -1.255 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.221 1.462 -1.976 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.097 2.681 -4.770 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.737 1.922 -3.910 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.577 3.577 -4.543 1.00 0.00 H new ATOM 416 N CYS B 7 -0.744 5.321 -0.134 1.00 0.00 N ATOM 417 CA CYS B 7 -1.725 4.928 0.880 1.00 0.00 C ATOM 418 C CYS B 7 -3.143 5.487 0.613 1.00 0.00 C ATOM 419 O CYS B 7 -3.289 6.660 0.270 1.00 0.00 O ATOM 420 CB CYS B 7 -1.189 5.340 2.257 1.00 0.00 C ATOM 421 SG CYS B 7 -1.781 4.333 3.645 1.00 0.00 S ATOM 0 H CYS B 7 -0.157 6.107 0.146 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.849 3.846 0.841 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.100 5.295 2.234 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.462 6.379 2.440 1.00 0.00 H new ATOM 426 N GLY B 8 -4.227 4.724 0.802 1.00 0.00 N ATOM 427 CA GLY B 8 -4.282 3.285 1.117 1.00 0.00 C ATOM 428 C GLY B 8 -4.394 2.361 -0.106 1.00 0.00 C ATOM 429 O GLY B 8 -3.879 1.244 -0.082 1.00 0.00 O ATOM 0 H GLY B 8 -5.162 5.125 0.734 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.387 3.016 1.677 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.134 3.103 1.771 1.00 0.00 H new ATOM 433 N SER B 9 -5.048 2.813 -1.181 1.00 0.00 N ATOM 434 CA SER B 9 -5.459 1.944 -2.298 1.00 0.00 C ATOM 435 C SER B 9 -4.272 1.393 -3.097 1.00 0.00 C ATOM 436 O SER B 9 -4.148 0.177 -3.267 1.00 0.00 O ATOM 437 CB SER B 9 -6.429 2.705 -3.212 1.00 0.00 C ATOM 438 OG SER B 9 -7.005 1.844 -4.181 1.00 0.00 O ATOM 0 H SER B 9 -5.309 3.791 -1.305 1.00 0.00 H new ATOM 0 HA SER B 9 -5.962 1.077 -1.870 1.00 0.00 H new ATOM 0 HB2 SER B 9 -7.217 3.160 -2.612 1.00 0.00 H new ATOM 0 HB3 SER B 9 -5.900 3.517 -3.712 1.00 0.00 H new ATOM 0 HG SER B 9 -7.620 2.355 -4.748 1.00 0.00 H new ATOM 444 N HIS B 10 -3.344 2.259 -3.524 1.00 0.00 N ATOM 445 CA HIS B 10 -2.159 1.845 -4.288 1.00 0.00 C ATOM 446 C HIS B 10 -1.183 1.015 -3.446 1.00 0.00 C ATOM 447 O HIS B 10 -0.512 0.142 -3.987 1.00 0.00 O ATOM 448 CB HIS B 10 -1.450 3.073 -4.882 1.00 0.00 C ATOM 449 CG HIS B 10 -2.283 3.939 -5.796 1.00 0.00 C ATOM 450 ND1 HIS B 10 -2.109 5.316 -5.958 1.00 0.00 N ATOM 451 CD2 HIS B 10 -3.296 3.526 -6.613 1.00 0.00 C ATOM 452 CE1 HIS B 10 -3.029 5.704 -6.859 1.00 0.00 C ATOM 453 NE2 HIS B 10 -3.754 4.649 -7.268 1.00 0.00 N ATOM 0 H HIS B 10 -3.393 3.263 -3.351 1.00 0.00 H new ATOM 0 HA HIS B 10 -2.505 1.204 -5.099 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -1.086 3.690 -4.061 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -0.575 2.731 -5.435 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -3.666 2.517 -6.724 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -3.166 6.718 -7.204 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -4.514 4.675 -7.948 1.00 0.00 H new ATOM 461 N LEU B 11 -1.134 1.232 -2.127 1.00 0.00 N ATOM 462 CA LEU B 11 -0.323 0.456 -1.184 1.00 0.00 C ATOM 463 C LEU B 11 -0.798 -1.002 -1.132 1.00 0.00 C ATOM 464 O LEU B 11 0.010 -1.917 -1.275 1.00 0.00 O ATOM 465 CB LEU B 11 -0.373 1.136 0.201 1.00 0.00 C ATOM 466 CG LEU B 11 0.522 0.504 1.283 1.00 0.00 C ATOM 467 CD1 LEU B 11 2.003 0.502 0.904 1.00 0.00 C ATOM 468 CD2 LEU B 11 0.364 1.299 2.581 1.00 0.00 C ATOM 0 H LEU B 11 -1.672 1.972 -1.675 1.00 0.00 H new ATOM 0 HA LEU B 11 0.714 0.433 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.088 2.181 0.084 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.404 1.125 0.555 1.00 0.00 H new ATOM 0 HG LEU B 11 0.205 -0.533 1.397 1.00 0.00 H new ATOM 0 HD11 LEU B 11 2.583 0.044 1.705 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.143 -0.067 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU B 11 2.341 1.527 0.751 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.994 0.860 3.355 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.663 2.334 2.413 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.678 1.270 2.901 1.00 0.00 H new ATOM 480 N VAL B 12 -2.111 -1.221 -1.005 1.00 0.00 N ATOM 481 CA VAL B 12 -2.718 -2.562 -1.021 1.00 0.00 C ATOM 482 C VAL B 12 -2.551 -3.233 -2.391 1.00 0.00 C ATOM 483 O VAL B 12 -2.145 -4.392 -2.457 1.00 0.00 O ATOM 484 CB VAL B 12 -4.195 -2.484 -0.585 1.00 0.00 C ATOM 485 CG1 VAL B 12 -4.935 -3.815 -0.742 1.00 0.00 C ATOM 486 CG2 VAL B 12 -4.295 -2.081 0.894 1.00 0.00 C ATOM 0 H VAL B 12 -2.790 -0.469 -0.887 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.194 -3.191 -0.302 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.657 -1.742 -1.236 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.969 -3.697 -0.419 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.914 -4.122 -1.788 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.449 -4.576 -0.131 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.344 -2.030 1.187 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.782 -2.821 1.508 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.830 -1.105 1.038 1.00 0.00 H new ATOM 496 N GLU B 13 -2.785 -2.511 -3.493 1.00 0.00 N ATOM 497 CA GLU B 13 -2.589 -3.049 -4.850 1.00 0.00 C ATOM 498 C GLU B 13 -1.123 -3.416 -5.141 1.00 0.00 C ATOM 499 O GLU B 13 -0.863 -4.467 -5.731 1.00 0.00 O ATOM 500 CB GLU B 13 -3.098 -2.060 -5.911 1.00 0.00 C ATOM 501 CG GLU B 13 -4.630 -1.978 -5.952 1.00 0.00 C ATOM 502 CD GLU B 13 -5.118 -1.112 -7.132 1.00 0.00 C ATOM 503 OE1 GLU B 13 -4.708 0.068 -7.248 1.00 0.00 O1- ATOM 504 OE2 GLU B 13 -5.922 -1.611 -7.959 1.00 0.00 O ATOM 0 H GLU B 13 -3.113 -1.545 -3.474 1.00 0.00 H new ATOM 0 HA GLU B 13 -3.172 -3.969 -4.900 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -2.690 -1.070 -5.706 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -2.727 -2.361 -6.891 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.047 -2.981 -6.039 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -4.998 -1.560 -5.015 1.00 0.00 H new ATOM 511 N ALA B 14 -0.157 -2.605 -4.692 1.00 0.00 N ATOM 512 CA ALA B 14 1.265 -2.916 -4.814 1.00 0.00 C ATOM 513 C ALA B 14 1.662 -4.120 -3.947 1.00 0.00 C ATOM 514 O ALA B 14 2.385 -5.001 -4.409 1.00 0.00 O ATOM 515 CB ALA B 14 2.085 -1.667 -4.465 1.00 0.00 C ATOM 0 H ALA B 14 -0.344 -1.713 -4.233 1.00 0.00 H new ATOM 0 HA ALA B 14 1.477 -3.202 -5.844 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.148 -1.893 -4.554 1.00 0.00 H new ATOM 0 HB2 ALA B 14 1.827 -0.859 -5.150 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.864 -1.360 -3.443 1.00 0.00 H new ATOM 521 N LEU B 15 1.153 -4.219 -2.717 1.00 0.00 N ATOM 522 CA LEU B 15 1.472 -5.320 -1.804 1.00 0.00 C ATOM 523 C LEU B 15 0.861 -6.669 -2.217 1.00 0.00 C ATOM 524 O LEU B 15 1.452 -7.702 -1.913 1.00 0.00 O ATOM 525 CB LEU B 15 1.088 -4.915 -0.373 1.00 0.00 C ATOM 526 CG LEU B 15 2.056 -3.890 0.245 1.00 0.00 C ATOM 527 CD1 LEU B 15 1.495 -3.345 1.556 1.00 0.00 C ATOM 528 CD2 LEU B 15 3.406 -4.541 0.541 1.00 0.00 C ATOM 0 H LEU B 15 0.506 -3.536 -2.324 1.00 0.00 H new ATOM 0 HA LEU B 15 2.547 -5.491 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.081 -4.498 -0.378 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.061 -5.805 0.255 1.00 0.00 H new ATOM 0 HG LEU B 15 2.180 -3.079 -0.473 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.193 -2.622 1.978 1.00 0.00 H new ATOM 0 HD12 LEU B 15 0.538 -2.858 1.368 1.00 0.00 H new ATOM 0 HD13 LEU B 15 1.353 -4.165 2.260 1.00 0.00 H new ATOM 0 HD21 LEU B 15 4.078 -3.802 0.977 1.00 0.00 H new ATOM 0 HD22 LEU B 15 3.267 -5.364 1.242 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.837 -4.922 -0.385 1.00 0.00 H new ATOM 540 N TYR B 16 -0.225 -6.686 -2.996 1.00 0.00 N ATOM 541 CA TYR B 16 -0.720 -7.899 -3.668 1.00 0.00 C ATOM 542 C TYR B 16 0.127 -8.347 -4.886 1.00 0.00 C ATOM 543 O TYR B 16 -0.160 -9.394 -5.473 1.00 0.00 O ATOM 544 CB TYR B 16 -2.201 -7.717 -4.051 1.00 0.00 C ATOM 545 CG TYR B 16 -3.188 -7.911 -2.912 1.00 0.00 C ATOM 546 CD1 TYR B 16 -3.144 -9.085 -2.132 1.00 0.00 C ATOM 547 CD2 TYR B 16 -4.193 -6.954 -2.671 1.00 0.00 C ATOM 548 CE1 TYR B 16 -4.074 -9.284 -1.095 1.00 0.00 C ATOM 549 CE2 TYR B 16 -5.143 -7.164 -1.651 1.00 0.00 C ATOM 550 CZ TYR B 16 -5.083 -8.328 -0.854 1.00 0.00 C ATOM 551 OH TYR B 16 -6.002 -8.539 0.128 1.00 0.00 O ATOM 0 H TYR B 16 -0.790 -5.857 -3.181 1.00 0.00 H new ATOM 0 HA TYR B 16 -0.622 -8.712 -2.948 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -2.334 -6.716 -4.460 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.444 -8.422 -4.846 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -2.393 -9.835 -2.332 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -4.236 -6.056 -3.270 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -4.015 -10.171 -0.482 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -5.919 -6.433 -1.479 1.00 0.00 H new ATOM 0 HH TYR B 16 -5.557 -8.912 0.918 1.00 0.00 H new ATOM 561 N LEU B 17 1.162 -7.585 -5.269 1.00 0.00 N ATOM 562 CA LEU B 17 2.102 -7.914 -6.356 1.00 0.00 C ATOM 563 C LEU B 17 3.549 -8.106 -5.859 1.00 0.00 C ATOM 564 O LEU B 17 4.236 -9.027 -6.304 1.00 0.00 O ATOM 565 CB LEU B 17 2.016 -6.822 -7.441 1.00 0.00 C ATOM 566 CG LEU B 17 0.653 -6.735 -8.160 1.00 0.00 C ATOM 567 CD1 LEU B 17 0.637 -5.520 -9.088 1.00 0.00 C ATOM 568 CD2 LEU B 17 0.360 -7.978 -9.006 1.00 0.00 C ATOM 0 H LEU B 17 1.376 -6.695 -4.819 1.00 0.00 H new ATOM 0 HA LEU B 17 1.810 -8.875 -6.780 1.00 0.00 H new ATOM 0 HB2 LEU B 17 2.233 -5.857 -6.984 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.793 -7.005 -8.184 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.109 -6.653 -7.385 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -0.327 -5.461 -9.594 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.796 -4.614 -8.504 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.431 -5.618 -9.829 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -0.610 -7.868 -9.491 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.134 -8.093 -9.765 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.347 -8.860 -8.365 1.00 0.00 H new ATOM 580 N VAL B 18 4.005 -7.277 -4.912 1.00 0.00 N ATOM 581 CA VAL B 18 5.311 -7.400 -4.226 1.00 0.00 C ATOM 582 C VAL B 18 5.297 -8.545 -3.202 1.00 0.00 C ATOM 583 O VAL B 18 6.312 -9.208 -2.987 1.00 0.00 O ATOM 584 CB VAL B 18 5.689 -6.057 -3.563 1.00 0.00 C ATOM 585 CG1 VAL B 18 7.026 -6.099 -2.812 1.00 0.00 C ATOM 586 CG2 VAL B 18 5.809 -4.955 -4.623 1.00 0.00 C ATOM 0 H VAL B 18 3.464 -6.476 -4.587 1.00 0.00 H new ATOM 0 HA VAL B 18 6.071 -7.643 -4.969 1.00 0.00 H new ATOM 0 HB VAL B 18 4.891 -5.855 -2.849 1.00 0.00 H new ATOM 0 HG11 VAL B 18 7.227 -5.122 -2.372 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.977 -6.849 -2.023 1.00 0.00 H new ATOM 0 HG13 VAL B 18 7.826 -6.356 -3.507 1.00 0.00 H new ATOM 0 HG21 VAL B 18 6.076 -4.014 -4.141 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.581 -5.226 -5.343 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.856 -4.841 -5.139 1.00 0.00 H new ATOM 596 N CYS B 19 4.127 -8.817 -2.620 1.00 0.00 N ATOM 597 CA CYS B 19 3.819 -9.975 -1.788 1.00 0.00 C ATOM 598 C CYS B 19 2.531 -10.656 -2.306 1.00 0.00 C ATOM 599 O CYS B 19 2.097 -10.412 -3.434 1.00 0.00 O ATOM 600 CB CYS B 19 3.713 -9.495 -0.334 1.00 0.00 C ATOM 601 SG CYS B 19 4.072 -10.768 0.902 1.00 0.00 S ATOM 0 H CYS B 19 3.324 -8.196 -2.725 1.00 0.00 H new ATOM 0 HA CYS B 19 4.603 -10.731 -1.836 1.00 0.00 H new ATOM 0 HB2 CYS B 19 4.399 -8.661 -0.189 1.00 0.00 H new ATOM 0 HB3 CYS B 19 2.707 -9.113 -0.163 1.00 0.00 H new ATOM 606 N GLY B 20 1.931 -11.550 -1.517 1.00 0.00 N ATOM 607 CA GLY B 20 0.717 -12.316 -1.855 1.00 0.00 C ATOM 608 C GLY B 20 0.977 -13.480 -2.824 1.00 0.00 C ATOM 609 O GLY B 20 0.600 -14.620 -2.550 1.00 0.00 O ATOM 0 H GLY B 20 2.287 -11.773 -0.588 1.00 0.00 H new ATOM 0 HA2 GLY B 20 0.277 -12.708 -0.938 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -0.017 -11.642 -2.297 1.00 0.00 H new ATOM 613 N GLU B 21 1.708 -13.220 -3.912 1.00 0.00 N ATOM 614 CA GLU B 21 2.355 -14.243 -4.752 1.00 0.00 C ATOM 615 C GLU B 21 3.509 -14.944 -3.999 1.00 0.00 C ATOM 616 O GLU B 21 3.851 -16.095 -4.283 1.00 0.00 O ATOM 617 CB GLU B 21 2.859 -13.552 -6.035 1.00 0.00 C ATOM 618 CG GLU B 21 3.327 -14.503 -7.147 1.00 0.00 C ATOM 619 CD GLU B 21 2.161 -15.315 -7.748 1.00 0.00 C ATOM 620 OE1 GLU B 21 1.464 -14.801 -8.658 1.00 0.00 O1- ATOM 621 OE2 GLU B 21 1.936 -16.476 -7.328 1.00 0.00 O ATOM 0 H GLU B 21 1.873 -12.270 -4.245 1.00 0.00 H new ATOM 0 HA GLU B 21 1.637 -15.023 -5.007 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.060 -12.923 -6.428 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.685 -12.891 -5.772 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.811 -13.927 -7.936 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.076 -15.187 -6.747 1.00 0.00 H new ATOM 628 N ARG B 22 4.086 -14.260 -2.999 1.00 0.00 N ATOM 629 CA ARG B 22 5.017 -14.799 -1.991 1.00 0.00 C ATOM 630 C ARG B 22 4.375 -14.770 -0.598 1.00 0.00 C ATOM 631 O ARG B 22 3.507 -13.935 -0.336 1.00 0.00 O ATOM 632 CB ARG B 22 6.353 -14.026 -2.001 1.00 0.00 C ATOM 633 CG ARG B 22 7.018 -13.809 -3.376 1.00 0.00 C ATOM 634 CD ARG B 22 7.151 -15.048 -4.276 1.00 0.00 C ATOM 635 NE ARG B 22 7.818 -16.183 -3.604 1.00 0.00 N ATOM 636 CZ ARG B 22 7.363 -17.418 -3.467 1.00 0.00 C ATOM 637 NH1 ARG B 22 6.162 -17.780 -3.827 1.00 0.00 N ATOM 638 NH2 ARG B 22 8.123 -18.335 -2.941 1.00 0.00 N1+ ATOM 0 H ARG B 22 3.908 -13.265 -2.863 1.00 0.00 H new ATOM 0 HA ARG B 22 5.233 -15.836 -2.246 1.00 0.00 H new ATOM 0 HB2 ARG B 22 6.184 -13.050 -1.547 1.00 0.00 H new ATOM 0 HB3 ARG B 22 7.058 -14.557 -1.362 1.00 0.00 H new ATOM 0 HG2 ARG B 22 6.446 -13.054 -3.916 1.00 0.00 H new ATOM 0 HG3 ARG B 22 8.014 -13.398 -3.212 1.00 0.00 H new ATOM 0 HD2 ARG B 22 6.159 -15.360 -4.604 1.00 0.00 H new ATOM 0 HD3 ARG B 22 7.714 -14.781 -5.171 1.00 0.00 H new ATOM 0 HE ARG B 22 8.735 -15.992 -3.199 1.00 0.00 H new ATOM 0 HH11 ARG B 22 5.525 -17.097 -4.236 1.00 0.00 H new ATOM 0 HH12 ARG B 22 5.861 -18.746 -3.699 1.00 0.00 H new ATOM 0 HH21 ARG B 22 9.068 -18.101 -2.635 1.00 0.00 H new ATOM 0 HH22 ARG B 22 7.774 -19.287 -2.835 1.00 0.00 H new ATOM 652 N GLY B 23 4.802 -15.665 0.296 1.00 0.00 N ATOM 653 CA GLY B 23 4.277 -15.760 1.665 1.00 0.00 C ATOM 654 C GLY B 23 4.568 -14.505 2.499 1.00 0.00 C ATOM 655 O GLY B 23 5.708 -14.039 2.545 1.00 0.00 O ATOM 0 H GLY B 23 5.528 -16.351 0.091 1.00 0.00 H new ATOM 0 HA2 GLY B 23 3.200 -15.924 1.626 1.00 0.00 H new ATOM 0 HA3 GLY B 23 4.714 -16.628 2.158 1.00 0.00 H new HETATM 659 N DHI B 24 3.536 -13.961 3.152 1.00 0.00 N HETATM 660 CA DHI B 24 3.556 -12.683 3.883 1.00 0.00 C HETATM 661 C DHI B 24 2.271 -11.869 3.632 1.00 0.00 C HETATM 662 O DHI B 24 1.294 -12.405 3.102 1.00 0.00 O HETATM 663 CB DHI B 24 3.792 -12.924 5.382 1.00 0.00 C HETATM 664 CG DHI B 24 2.663 -13.652 6.068 1.00 0.00 C HETATM 665 ND1 DHI B 24 1.641 -13.061 6.816 1.00 0.00 N HETATM 666 CD2 DHI B 24 2.468 -15.001 6.041 1.00 0.00 C HETATM 667 CE1 DHI B 24 0.855 -14.072 7.226 1.00 0.00 C HETATM 668 NE2 DHI B 24 1.329 -15.248 6.774 1.00 0.00 N HETATM 0 HE2 DHI B 24 0.915 -16.165 6.945 1.00 0.00 H new HETATM 0 HE1 DHI B 24 -0.040 -13.956 7.838 1.00 0.00 H new HETATM 0 HD2 DHI B 24 3.092 -15.740 5.538 1.00 0.00 H new HETATM 0 HD1 DHI B 24 1.517 -12.067 7.011 1.00 0.00 H new HETATM 0 HB3 DHI B 24 4.711 -13.497 5.508 1.00 0.00 H new HETATM 0 HB2 DHI B 24 3.945 -11.964 5.875 1.00 0.00 H new HETATM 0 HA DHI B 24 4.387 -12.088 3.504 1.00 0.00 H new HETATM 0 H DHI B 24 2.733 -14.204 2.572 1.00 0.00 H new ATOM 676 N PHE B 25 2.278 -10.579 3.998 1.00 0.00 N ATOM 677 CA PHE B 25 1.185 -9.613 3.799 1.00 0.00 C ATOM 678 C PHE B 25 -0.217 -10.150 4.169 1.00 0.00 C ATOM 679 O PHE B 25 -1.083 -10.360 3.314 1.00 0.00 O ATOM 680 CB PHE B 25 1.273 -9.002 2.387 1.00 0.00 C ATOM 681 CG PHE B 25 0.254 -7.909 2.095 1.00 0.00 C ATOM 682 CD1 PHE B 25 0.158 -6.786 2.940 1.00 0.00 C ATOM 683 CD2 PHE B 25 -0.606 -8.014 0.981 1.00 0.00 C ATOM 684 CE1 PHE B 25 -0.801 -5.789 2.686 1.00 0.00 C ATOM 685 CE2 PHE B 25 -1.559 -7.012 0.723 1.00 0.00 C ATOM 686 CZ PHE B 25 -1.660 -5.900 1.579 1.00 0.00 C ATOM 0 H PHE B 25 3.083 -10.160 4.463 1.00 0.00 H new ATOM 0 HA PHE B 25 1.327 -8.807 4.519 1.00 0.00 H new ATOM 0 HB2 PHE B 25 2.273 -8.592 2.246 1.00 0.00 H new ATOM 0 HB3 PHE B 25 1.149 -9.799 1.654 1.00 0.00 H new ATOM 0 HD1 PHE B 25 0.823 -6.690 3.786 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -0.532 -8.868 0.324 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -0.878 -4.936 3.343 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -2.213 -7.096 -0.132 1.00 0.00 H new ATOM 0 HZ PHE B 25 -2.396 -5.133 1.386 1.00 0.00 H new ATOM 696 N TYR B 26 -0.451 -10.366 5.468 1.00 0.00 N ATOM 697 CA TYR B 26 -1.789 -10.658 5.994 1.00 0.00 C ATOM 698 C TYR B 26 -2.767 -9.500 5.731 1.00 0.00 C ATOM 699 O TYR B 26 -2.426 -8.329 5.933 1.00 0.00 O ATOM 700 CB TYR B 26 -1.720 -10.947 7.501 1.00 0.00 C ATOM 701 CG TYR B 26 -3.078 -11.262 8.106 1.00 0.00 C ATOM 702 CD1 TYR B 26 -3.642 -12.539 7.918 1.00 0.00 C ATOM 703 CD2 TYR B 26 -3.802 -10.269 8.800 1.00 0.00 C ATOM 704 CE1 TYR B 26 -4.922 -12.827 8.430 1.00 0.00 C ATOM 705 CE2 TYR B 26 -5.076 -10.560 9.324 1.00 0.00 C ATOM 706 CZ TYR B 26 -5.640 -11.843 9.142 1.00 0.00 C ATOM 707 OH TYR B 26 -6.869 -12.136 9.649 1.00 0.00 O ATOM 0 H TYR B 26 0.278 -10.344 6.181 1.00 0.00 H new ATOM 0 HA TYR B 26 -2.160 -11.540 5.472 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -1.047 -11.787 7.674 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -1.292 -10.085 8.012 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -3.092 -13.298 7.381 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -3.378 -9.284 8.929 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -5.355 -13.804 8.277 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -5.623 -9.802 9.865 1.00 0.00 H new ATOM 0 HH TYR B 26 -7.228 -11.350 10.112 1.00 0.00 H new ATOM 717 N THR B 27 -4.003 -9.834 5.350 1.00 0.00 N ATOM 718 CA THR B 27 -5.133 -8.896 5.250 1.00 0.00 C ATOM 719 C THR B 27 -6.386 -9.485 5.927 1.00 0.00 C ATOM 720 O THR B 27 -6.750 -10.635 5.647 1.00 0.00 O ATOM 721 CB THR B 27 -5.437 -8.497 3.791 1.00 0.00 C ATOM 722 OG1 THR B 27 -5.572 -9.625 2.949 1.00 0.00 O ATOM 723 CG2 THR B 27 -4.331 -7.614 3.205 1.00 0.00 C ATOM 0 H THR B 27 -4.256 -10.789 5.095 1.00 0.00 H new ATOM 0 HA THR B 27 -4.843 -7.986 5.775 1.00 0.00 H new ATOM 0 HB THR B 27 -6.378 -7.949 3.828 1.00 0.00 H new ATOM 0 HG1 THR B 27 -6.120 -10.303 3.396 1.00 0.00 H new ATOM 0 HG21 THR B 27 -4.580 -7.353 2.176 1.00 0.00 H new ATOM 0 HG22 THR B 27 -4.239 -6.704 3.798 1.00 0.00 H new ATOM 0 HG23 THR B 27 -3.385 -8.156 3.223 1.00 0.00 H new ATOM 731 N PRO B 28 -7.058 -8.744 6.832 1.00 0.00 N ATOM 732 CA PRO B 28 -8.256 -9.219 7.528 1.00 0.00 C ATOM 733 C PRO B 28 -9.512 -9.182 6.638 1.00 0.00 C ATOM 734 O PRO B 28 -9.573 -8.455 5.641 1.00 0.00 O ATOM 735 CB PRO B 28 -8.389 -8.321 8.763 1.00 0.00 C ATOM 736 CG PRO B 28 -7.767 -7.000 8.309 1.00 0.00 C ATOM 737 CD PRO B 28 -6.668 -7.435 7.342 1.00 0.00 C ATOM 0 HA PRO B 28 -8.161 -10.269 7.806 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -9.431 -8.194 9.057 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -7.863 -8.738 9.622 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -8.500 -6.358 7.820 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -7.362 -6.438 9.150 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -6.562 -6.718 6.528 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -5.704 -7.488 7.849 1.00 0.00 H new ATOM 745 N LYS B 29 -10.533 -9.960 7.023 1.00 0.00 N ATOM 746 CA LYS B 29 -11.838 -10.068 6.343 1.00 0.00 C ATOM 747 C LYS B 29 -12.983 -10.187 7.363 1.00 0.00 C ATOM 748 O LYS B 29 -12.822 -10.834 8.402 1.00 0.00 O ATOM 749 CB LYS B 29 -11.791 -11.265 5.372 1.00 0.00 C ATOM 750 CG LYS B 29 -13.033 -11.363 4.467 1.00 0.00 C ATOM 751 CD LYS B 29 -12.963 -12.531 3.471 1.00 0.00 C ATOM 752 CE LYS B 29 -11.855 -12.346 2.424 1.00 0.00 C ATOM 753 NZ LYS B 29 -11.851 -13.453 1.431 1.00 0.00 N1+ ATOM 0 H LYS B 29 -10.473 -10.556 7.849 1.00 0.00 H new ATOM 0 HA LYS B 29 -12.036 -9.162 5.769 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -10.901 -11.183 4.748 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.695 -12.186 5.946 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -13.921 -11.477 5.089 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -13.148 -10.430 3.916 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -12.792 -13.459 4.016 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -13.923 -12.631 2.965 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -11.995 -11.395 1.910 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -10.887 -12.300 2.922 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -11.091 -13.296 0.739 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -11.693 -14.357 1.920 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -12.767 -13.481 0.939 1.00 0.00 H new ATOM 767 N THR B 30 -14.128 -9.569 7.060 1.00 0.00 N ATOM 768 CA THR B 30 -15.349 -9.511 7.899 1.00 0.00 C ATOM 769 C THR B 30 -16.635 -9.770 7.108 1.00 0.00 C ATOM 770 O THR B 30 -17.620 -10.234 7.727 1.00 0.00 O ATOM 771 CB THR B 30 -15.465 -8.171 8.644 1.00 0.00 C ATOM 772 OG1 THR B 30 -15.328 -7.086 7.746 1.00 0.00 O ATOM 773 CG2 THR B 30 -14.397 -8.028 9.733 1.00 0.00 C ATOM 774 OXT THR B 30 -16.662 -9.553 5.873 1.00 0.00 O1- ATOM 0 H THR B 30 -14.244 -9.067 6.180 1.00 0.00 H new ATOM 0 HA THR B 30 -15.238 -10.317 8.625 1.00 0.00 H new ATOM 0 HB THR B 30 -16.452 -8.158 9.107 1.00 0.00 H new ATOM 0 HG1 THR B 30 -15.406 -6.242 8.238 1.00 0.00 H new ATOM 0 HG21 THR B 30 -14.515 -7.067 10.234 1.00 0.00 H new ATOM 0 HG22 THR B 30 -14.508 -8.833 10.460 1.00 0.00 H new ATOM 0 HG23 THR B 30 -13.407 -8.082 9.281 1.00 0.00 H new TER 782 THR B 30