USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 381 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 1 GLY N :NH3+ -168:sc= 0.311 (180deg=0) USER MOD Set 1.2: A 19 TYR OH : rot 150:sc= 0.3 USER MOD Set 2.1: A 5 GLN : amide:sc= 1.45 K(o=2.5,f=0.27) USER MOD Set 2.2: A 12 SER OG : rot 180:sc= 0.43 USER MOD Set 2.3: A 15 GLN : amide:sc= 0.577 K(o=2.5,f=0.27) USER MOD Single : A 8 THR OG1 : rot -73:sc= 1.34 USER MOD Single : A 9 SER OG : rot 180:sc= 0.228 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.846 K(o=0.85,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : B 1 PHE N :NH3+ 136:sc= 0.0791 (180deg=0.00323) USER MOD Single : B 3 ASN : amide:sc= 0.747 K(o=0.75,f=-4.1!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.919 K(o=0.92,f=-2.8!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 160:sc= 0.668 USER MOD Single : B 29 LYS NZ :NH3+ 171:sc= 1.2 (180deg=1.07) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.107 8.335 -0.089 1.00 0.00 N ATOM 2 CA GLY A 1 -0.998 7.651 -1.398 1.00 0.00 C ATOM 3 C GLY A 1 -2.347 7.497 -2.092 1.00 0.00 C ATOM 4 O GLY A 1 -3.365 7.944 -1.579 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.158 8.596 0.246 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.686 9.193 -0.193 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.554 7.697 0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.324 8.214 -2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.553 6.666 -1.254 1.00 0.00 H new ATOM 10 N ILE A 2 -2.419 6.888 -3.282 1.00 0.00 N ATOM 11 CA ILE A 2 -1.311 6.271 -4.052 1.00 0.00 C ATOM 12 C ILE A 2 -1.184 6.786 -5.497 1.00 0.00 C ATOM 13 O ILE A 2 -0.054 6.896 -5.963 1.00 0.00 O ATOM 14 CB ILE A 2 -1.449 4.723 -3.978 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.163 3.955 -4.361 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.608 4.162 -4.814 1.00 0.00 C ATOM 17 CD1 ILE A 2 1.011 4.203 -3.410 1.00 0.00 C ATOM 0 H ILE A 2 -3.309 6.803 -3.773 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.373 6.576 -3.588 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.657 4.556 -2.921 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.381 2.887 -4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.133 4.241 -5.371 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.639 3.077 -4.711 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.549 4.587 -4.463 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.460 4.423 -5.862 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.877 3.631 -3.744 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.258 5.265 -3.406 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.736 3.890 -2.403 1.00 0.00 H new ATOM 29 N VAL A 3 -2.280 7.146 -6.184 1.00 0.00 N ATOM 30 CA VAL A 3 -2.271 7.459 -7.635 1.00 0.00 C ATOM 31 C VAL A 3 -1.360 8.642 -7.975 1.00 0.00 C ATOM 32 O VAL A 3 -0.411 8.476 -8.740 1.00 0.00 O ATOM 33 CB VAL A 3 -3.696 7.684 -8.193 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.719 8.248 -9.625 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.483 6.365 -8.195 1.00 0.00 C ATOM 0 H VAL A 3 -3.202 7.230 -5.755 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.857 6.579 -8.126 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.152 8.422 -7.533 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.752 8.379 -9.948 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.208 9.210 -9.645 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.214 7.555 -10.297 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.484 6.539 -8.590 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.968 5.635 -8.820 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.556 5.984 -7.177 1.00 0.00 H new ATOM 45 N GLU A 4 -1.624 9.827 -7.409 1.00 0.00 N ATOM 46 CA GLU A 4 -0.812 11.019 -7.702 1.00 0.00 C ATOM 47 C GLU A 4 0.582 10.917 -7.064 1.00 0.00 C ATOM 48 O GLU A 4 1.555 11.367 -7.669 1.00 0.00 O ATOM 49 CB GLU A 4 -1.530 12.298 -7.240 1.00 0.00 C ATOM 50 CG GLU A 4 -2.737 12.627 -8.139 1.00 0.00 C ATOM 51 CD GLU A 4 -3.410 13.961 -7.771 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.697 14.950 -7.480 1.00 0.00 O ATOM 53 OE2 GLU A 4 -4.663 14.024 -7.796 1.00 0.00 O ATOM 0 H GLU A 4 -2.387 9.987 -6.751 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.680 11.072 -8.783 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.865 12.176 -6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.830 13.133 -7.250 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.410 12.665 -9.178 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.469 11.823 -8.064 1.00 0.00 H new ATOM 60 N GLN A 5 0.697 10.282 -5.887 1.00 0.00 N ATOM 61 CA GLN A 5 1.976 10.081 -5.200 1.00 0.00 C ATOM 62 C GLN A 5 2.945 9.279 -6.070 1.00 0.00 C ATOM 63 O GLN A 5 4.038 9.754 -6.352 1.00 0.00 O ATOM 64 CB GLN A 5 1.760 9.374 -3.849 1.00 0.00 C ATOM 65 CG GLN A 5 3.067 9.266 -3.035 1.00 0.00 C ATOM 66 CD GLN A 5 3.030 8.136 -2.003 1.00 0.00 C ATOM 67 OE1 GLN A 5 2.107 8.016 -1.207 1.00 0.00 O ATOM 68 NE2 GLN A 5 4.015 7.260 -2.001 1.00 0.00 N ATOM 0 H GLN A 5 -0.101 9.893 -5.385 1.00 0.00 H new ATOM 0 HA GLN A 5 2.415 11.061 -5.014 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.016 9.921 -3.269 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.358 8.376 -4.023 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.902 9.103 -3.716 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.252 10.212 -2.525 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.785 7.357 -2.663 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.007 6.485 -1.338 1.00 0.00 H new ATOM 77 N CYS A 6 2.570 8.074 -6.507 1.00 0.00 N ATOM 78 CA CYS A 6 3.484 7.189 -7.242 1.00 0.00 C ATOM 79 C CYS A 6 3.750 7.643 -8.683 1.00 0.00 C ATOM 80 O CYS A 6 4.703 7.189 -9.312 1.00 0.00 O ATOM 81 CB CYS A 6 2.950 5.758 -7.180 1.00 0.00 C ATOM 82 SG CYS A 6 4.270 4.526 -7.283 1.00 0.00 S ATOM 0 H CYS A 6 1.637 7.686 -6.365 1.00 0.00 H new ATOM 0 HA CYS A 6 4.458 7.235 -6.755 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.398 5.619 -6.250 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.245 5.600 -7.996 1.00 0.00 H new ATOM 87 N CYS A 7 2.917 8.546 -9.211 1.00 0.00 N ATOM 88 CA CYS A 7 3.059 9.096 -10.562 1.00 0.00 C ATOM 89 C CYS A 7 3.923 10.374 -10.605 1.00 0.00 C ATOM 90 O CYS A 7 4.675 10.558 -11.568 1.00 0.00 O ATOM 91 CB CYS A 7 1.658 9.302 -11.145 1.00 0.00 C ATOM 92 SG CYS A 7 1.615 9.697 -12.912 1.00 0.00 S ATOM 0 H CYS A 7 2.115 8.920 -8.705 1.00 0.00 H new ATOM 0 HA CYS A 7 3.605 8.386 -11.183 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.074 8.397 -10.976 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.167 10.106 -10.596 1.00 0.00 H new ATOM 97 N THR A 8 3.854 11.237 -9.576 1.00 0.00 N ATOM 98 CA THR A 8 4.661 12.477 -9.466 1.00 0.00 C ATOM 99 C THR A 8 5.930 12.294 -8.638 1.00 0.00 C ATOM 100 O THR A 8 6.975 12.840 -8.981 1.00 0.00 O ATOM 101 CB THR A 8 3.838 13.645 -8.907 1.00 0.00 C ATOM 102 OG1 THR A 8 3.369 13.373 -7.603 1.00 0.00 O ATOM 103 CG2 THR A 8 2.647 13.987 -9.804 1.00 0.00 C ATOM 0 H THR A 8 3.228 11.095 -8.783 1.00 0.00 H new ATOM 0 HA THR A 8 4.966 12.715 -10.485 1.00 0.00 H new ATOM 0 HB THR A 8 4.511 14.501 -8.875 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.644 12.715 -7.647 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.092 14.819 -9.371 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.006 14.267 -10.794 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.993 13.119 -9.887 1.00 0.00 H new ATOM 111 N SER A 9 5.857 11.498 -7.579 1.00 0.00 N ATOM 112 CA SER A 9 6.978 10.981 -6.786 1.00 0.00 C ATOM 113 C SER A 9 7.055 9.448 -6.975 1.00 0.00 C ATOM 114 O SER A 9 6.748 8.945 -8.059 1.00 0.00 O ATOM 115 CB SER A 9 6.789 11.417 -5.320 1.00 0.00 C ATOM 116 OG SER A 9 7.939 11.136 -4.527 1.00 0.00 O ATOM 0 H SER A 9 4.958 11.172 -7.224 1.00 0.00 H new ATOM 0 HA SER A 9 7.934 11.388 -7.116 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.576 12.485 -5.284 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.924 10.905 -4.898 1.00 0.00 H new ATOM 0 HG SER A 9 7.780 11.429 -3.605 1.00 0.00 H new ATOM 122 N ILE A 10 7.482 8.693 -5.962 1.00 0.00 N ATOM 123 CA ILE A 10 7.613 7.225 -5.995 1.00 0.00 C ATOM 124 C ILE A 10 6.709 6.529 -4.970 1.00 0.00 C ATOM 125 O ILE A 10 6.175 7.145 -4.041 1.00 0.00 O ATOM 126 CB ILE A 10 9.096 6.806 -5.808 1.00 0.00 C ATOM 127 CG1 ILE A 10 9.681 7.295 -4.464 1.00 0.00 C ATOM 128 CG2 ILE A 10 9.937 7.263 -7.011 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.048 6.679 -4.137 1.00 0.00 C ATOM 0 H ILE A 10 7.756 9.093 -5.065 1.00 0.00 H new ATOM 0 HA ILE A 10 7.277 6.895 -6.978 1.00 0.00 H new ATOM 0 HB ILE A 10 9.133 5.717 -5.767 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.776 8.380 -4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.982 7.056 -3.663 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.974 6.962 -6.865 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.550 6.804 -7.921 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.883 8.348 -7.101 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.401 7.065 -3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.954 5.595 -4.079 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.761 6.940 -4.919 1.00 0.00 H new ATOM 141 N CYS A 11 6.593 5.207 -5.100 1.00 0.00 N ATOM 142 CA CYS A 11 6.020 4.321 -4.085 1.00 0.00 C ATOM 143 C CYS A 11 6.689 2.942 -4.095 1.00 0.00 C ATOM 144 O CYS A 11 7.311 2.541 -5.079 1.00 0.00 O ATOM 145 CB CYS A 11 4.499 4.202 -4.253 1.00 0.00 C ATOM 146 SG CYS A 11 3.905 3.293 -5.708 1.00 0.00 S ATOM 0 H CYS A 11 6.903 4.710 -5.935 1.00 0.00 H new ATOM 0 HA CYS A 11 6.216 4.769 -3.111 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.096 3.719 -3.363 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.081 5.208 -4.287 1.00 0.00 H new ATOM 151 N SER A 12 6.572 2.220 -2.982 1.00 0.00 N ATOM 152 CA SER A 12 7.040 0.841 -2.818 1.00 0.00 C ATOM 153 C SER A 12 5.924 -0.188 -3.050 1.00 0.00 C ATOM 154 O SER A 12 4.738 0.125 -2.946 1.00 0.00 O ATOM 155 CB SER A 12 7.656 0.655 -1.423 1.00 0.00 C ATOM 156 OG SER A 12 6.696 0.884 -0.399 1.00 0.00 O ATOM 0 H SER A 12 6.134 2.590 -2.139 1.00 0.00 H new ATOM 0 HA SER A 12 7.801 0.664 -3.579 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.055 -0.355 -1.331 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.494 1.341 -1.299 1.00 0.00 H new ATOM 0 HG SER A 12 7.116 0.757 0.477 1.00 0.00 H new ATOM 162 N LEU A 13 6.293 -1.452 -3.290 1.00 0.00 N ATOM 163 CA LEU A 13 5.344 -2.568 -3.389 1.00 0.00 C ATOM 164 C LEU A 13 4.553 -2.753 -2.085 1.00 0.00 C ATOM 165 O LEU A 13 3.365 -3.059 -2.102 1.00 0.00 O ATOM 166 CB LEU A 13 6.119 -3.846 -3.749 1.00 0.00 C ATOM 167 CG LEU A 13 6.983 -3.783 -5.032 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.600 -5.161 -5.307 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.209 -3.310 -6.272 1.00 0.00 C ATOM 0 H LEU A 13 7.265 -1.731 -3.422 1.00 0.00 H new ATOM 0 HA LEU A 13 4.616 -2.349 -4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.768 -4.101 -2.911 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.404 -4.661 -3.857 1.00 0.00 H new ATOM 0 HG LEU A 13 7.759 -3.041 -4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.208 -5.114 -6.211 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.226 -5.454 -4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.806 -5.895 -5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.878 -3.290 -7.133 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.384 -3.994 -6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.816 -2.309 -6.095 1.00 0.00 H new ATOM 181 N TYR A 14 5.188 -2.490 -0.944 1.00 0.00 N ATOM 182 CA TYR A 14 4.535 -2.475 0.368 1.00 0.00 C ATOM 183 C TYR A 14 3.496 -1.349 0.510 1.00 0.00 C ATOM 184 O TYR A 14 2.460 -1.544 1.146 1.00 0.00 O ATOM 185 CB TYR A 14 5.620 -2.368 1.447 1.00 0.00 C ATOM 186 CG TYR A 14 6.649 -3.487 1.405 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.309 -4.775 1.864 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.937 -3.250 0.883 1.00 0.00 C ATOM 189 CE1 TYR A 14 7.244 -5.827 1.799 1.00 0.00 C ATOM 190 CE2 TYR A 14 8.878 -4.295 0.816 1.00 0.00 C ATOM 191 CZ TYR A 14 8.535 -5.589 1.274 1.00 0.00 C ATOM 192 OH TYR A 14 9.451 -6.597 1.209 1.00 0.00 O ATOM 0 H TYR A 14 6.185 -2.278 -0.902 1.00 0.00 H new ATOM 0 HA TYR A 14 3.975 -3.403 0.485 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.133 -1.413 1.338 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.143 -2.364 2.427 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.324 -4.957 2.269 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.203 -2.263 0.533 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.975 -6.813 2.149 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.863 -4.109 0.414 1.00 0.00 H new ATOM 0 HH TYR A 14 10.284 -6.257 0.820 1.00 0.00 H new ATOM 202 N GLN A 15 3.732 -0.193 -0.114 1.00 0.00 N ATOM 203 CA GLN A 15 2.744 0.893 -0.204 1.00 0.00 C ATOM 204 C GLN A 15 1.600 0.551 -1.171 1.00 0.00 C ATOM 205 O GLN A 15 0.455 0.879 -0.864 1.00 0.00 O ATOM 206 CB GLN A 15 3.413 2.213 -0.611 1.00 0.00 C ATOM 207 CG GLN A 15 4.169 2.865 0.552 1.00 0.00 C ATOM 208 CD GLN A 15 5.003 4.051 0.070 1.00 0.00 C ATOM 209 OE1 GLN A 15 4.520 5.167 -0.083 1.00 0.00 O ATOM 210 NE2 GLN A 15 6.269 3.848 -0.234 1.00 0.00 N ATOM 0 H GLN A 15 4.617 0.021 -0.574 1.00 0.00 H new ATOM 0 HA GLN A 15 2.311 1.013 0.789 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.105 2.029 -1.433 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.655 2.903 -0.981 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.460 3.199 1.309 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.818 2.129 1.026 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.681 2.923 -0.111 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.837 4.616 -0.593 1.00 0.00 H new ATOM 219 N LEU A 16 1.870 -0.156 -2.278 1.00 0.00 N ATOM 220 CA LEU A 16 0.811 -0.719 -3.129 1.00 0.00 C ATOM 221 C LEU A 16 -0.088 -1.674 -2.328 1.00 0.00 C ATOM 222 O LEU A 16 -1.313 -1.559 -2.390 1.00 0.00 O ATOM 223 CB LEU A 16 1.417 -1.424 -4.365 1.00 0.00 C ATOM 224 CG LEU A 16 2.222 -0.536 -5.337 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.649 -1.372 -6.549 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.427 0.680 -5.815 1.00 0.00 C ATOM 0 H LEU A 16 2.816 -0.352 -2.606 1.00 0.00 H new ATOM 0 HA LEU A 16 0.188 0.102 -3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.068 -2.225 -4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.606 -1.892 -4.923 1.00 0.00 H new ATOM 0 HG LEU A 16 3.093 -0.164 -4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.218 -0.749 -7.239 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.269 -2.205 -6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.764 -1.758 -7.055 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.040 1.270 -6.496 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.528 0.346 -6.333 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.146 1.291 -4.957 1.00 0.00 H new ATOM 238 N GLU A 17 0.504 -2.577 -1.539 1.00 0.00 N ATOM 239 CA GLU A 17 -0.253 -3.563 -0.758 1.00 0.00 C ATOM 240 C GLU A 17 -1.049 -2.939 0.404 1.00 0.00 C ATOM 241 O GLU A 17 -2.099 -3.460 0.779 1.00 0.00 O ATOM 242 CB GLU A 17 0.676 -4.691 -0.274 1.00 0.00 C ATOM 243 CG GLU A 17 -0.154 -5.896 0.203 1.00 0.00 C ATOM 244 CD GLU A 17 0.647 -7.204 0.306 1.00 0.00 C ATOM 245 OE1 GLU A 17 1.809 -7.190 0.780 1.00 0.00 O ATOM 246 OE2 GLU A 17 0.077 -8.263 -0.053 1.00 0.00 O ATOM 0 H GLU A 17 1.515 -2.646 -1.424 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.002 -3.990 -1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.341 -4.996 -1.082 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.306 -4.330 0.539 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.582 -5.666 1.179 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.987 -6.045 -0.484 1.00 0.00 H new ATOM 253 N ASN A 18 -0.610 -1.801 0.955 1.00 0.00 N ATOM 254 CA ASN A 18 -1.328 -1.086 2.014 1.00 0.00 C ATOM 255 C ASN A 18 -2.721 -0.577 1.579 1.00 0.00 C ATOM 256 O ASN A 18 -3.589 -0.369 2.432 1.00 0.00 O ATOM 257 CB ASN A 18 -0.448 0.067 2.522 1.00 0.00 C ATOM 258 CG ASN A 18 0.258 -0.285 3.826 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.167 0.101 4.907 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.343 -1.040 3.769 1.00 0.00 N ATOM 0 H ASN A 18 0.260 -1.348 0.676 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.521 -1.794 2.820 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.294 0.318 1.764 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.063 0.954 2.671 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.828 -1.302 4.627 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.695 -1.360 2.867 1.00 0.00 H new ATOM 267 N TYR A 19 -2.962 -0.402 0.273 1.00 0.00 N ATOM 268 CA TYR A 19 -4.264 -0.042 -0.307 1.00 0.00 C ATOM 269 C TYR A 19 -5.035 -1.244 -0.897 1.00 0.00 C ATOM 270 O TYR A 19 -6.149 -1.085 -1.400 1.00 0.00 O ATOM 271 CB TYR A 19 -4.020 1.069 -1.336 1.00 0.00 C ATOM 272 CG TYR A 19 -3.603 2.379 -0.693 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.515 3.086 0.117 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.293 2.863 -0.849 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.123 4.275 0.759 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.889 4.048 -0.208 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.806 4.758 0.602 1.00 0.00 C ATOM 278 OH TYR A 19 -2.414 5.898 1.235 1.00 0.00 O ATOM 0 H TYR A 19 -2.233 -0.510 -0.432 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.921 0.317 0.485 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.247 0.749 -2.034 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.929 1.227 -1.917 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.520 2.713 0.245 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.591 2.321 -1.466 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.829 4.817 1.371 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.881 4.415 -0.334 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.456 5.849 1.433 1.00 0.00 H new ATOM 288 N CYS A 20 -4.478 -2.459 -0.815 1.00 0.00 N ATOM 289 CA CYS A 20 -5.164 -3.708 -1.174 1.00 0.00 C ATOM 290 C CYS A 20 -6.038 -4.268 -0.037 1.00 0.00 C ATOM 291 O CYS A 20 -5.943 -3.844 1.120 1.00 0.00 O ATOM 292 CB CYS A 20 -4.138 -4.741 -1.654 1.00 0.00 C ATOM 293 SG CYS A 20 -3.338 -4.295 -3.213 1.00 0.00 S ATOM 0 H CYS A 20 -3.522 -2.605 -0.492 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.854 -3.480 -1.987 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.375 -4.866 -0.886 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.633 -5.705 -1.772 1.00 0.00 H new ATOM 298 N ASN A 21 -6.896 -5.232 -0.383 1.00 0.00 N ATOM 299 CA ASN A 21 -7.732 -5.988 0.560 1.00 0.00 C ATOM 300 C ASN A 21 -6.908 -6.977 1.409 1.00 0.00 C ATOM 301 O ASN A 21 -5.833 -7.426 0.945 1.00 0.00 O ATOM 302 CB ASN A 21 -8.857 -6.693 -0.232 1.00 0.00 C ATOM 303 CG ASN A 21 -9.852 -5.731 -0.868 1.00 0.00 C ATOM 304 OD1 ASN A 21 -9.856 -5.499 -2.069 1.00 0.00 O ATOM 305 ND2 ASN A 21 -10.707 -5.116 -0.081 1.00 0.00 N ATOM 306 OXT ASN A 21 -7.356 -7.299 2.531 1.00 0.00 O ATOM 0 H ASN A 21 -7.034 -5.517 -1.353 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.177 -5.297 1.276 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.409 -7.308 -1.013 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.393 -7.367 0.437 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.371 -4.448 -0.472 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.706 -5.307 0.921 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 16.192 -2.675 -5.456 1.00 0.00 N ATOM 315 CA PHE B 1 15.044 -1.759 -5.228 1.00 0.00 C ATOM 316 C PHE B 1 13.741 -2.541 -5.016 1.00 0.00 C ATOM 317 O PHE B 1 13.637 -3.695 -5.432 1.00 0.00 O ATOM 318 CB PHE B 1 14.900 -0.741 -6.379 1.00 0.00 C ATOM 319 CG PHE B 1 16.063 0.228 -6.509 1.00 0.00 C ATOM 320 CD1 PHE B 1 16.240 1.237 -5.544 1.00 0.00 C ATOM 321 CD2 PHE B 1 16.967 0.123 -7.586 1.00 0.00 C ATOM 322 CE1 PHE B 1 17.318 2.134 -5.648 1.00 0.00 C ATOM 323 CE2 PHE B 1 18.046 1.019 -7.686 1.00 0.00 C ATOM 324 CZ PHE B 1 18.223 2.023 -6.718 1.00 0.00 C ATOM 0 H1 PHE B 1 16.771 -2.317 -6.242 1.00 0.00 H new ATOM 0 H2 PHE B 1 16.772 -2.726 -4.594 1.00 0.00 H new ATOM 0 H3 PHE B 1 15.838 -3.624 -5.692 1.00 0.00 H new ATOM 0 HA PHE B 1 15.248 -1.200 -4.315 1.00 0.00 H new ATOM 0 HB2 PHE B 1 14.789 -1.285 -7.317 1.00 0.00 H new ATOM 0 HB3 PHE B 1 13.983 -0.171 -6.231 1.00 0.00 H new ATOM 0 HD1 PHE B 1 15.546 1.323 -4.721 1.00 0.00 H new ATOM 0 HD2 PHE B 1 16.831 -0.645 -8.333 1.00 0.00 H new ATOM 0 HE1 PHE B 1 17.451 2.908 -4.906 1.00 0.00 H new ATOM 0 HE2 PHE B 1 18.741 0.936 -8.509 1.00 0.00 H new ATOM 0 HZ PHE B 1 19.054 2.709 -6.796 1.00 0.00 H new ATOM 336 N VAL B 2 12.737 -1.918 -4.383 1.00 0.00 N ATOM 337 CA VAL B 2 11.383 -2.476 -4.129 1.00 0.00 C ATOM 338 C VAL B 2 10.295 -1.410 -4.342 1.00 0.00 C ATOM 339 O VAL B 2 9.320 -1.291 -3.602 1.00 0.00 O ATOM 340 CB VAL B 2 11.259 -3.116 -2.729 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.070 -4.413 -2.610 1.00 0.00 C ATOM 342 CG2 VAL B 2 11.642 -2.163 -1.580 1.00 0.00 C ATOM 0 H VAL B 2 12.841 -0.972 -4.015 1.00 0.00 H new ATOM 0 HA VAL B 2 11.233 -3.273 -4.857 1.00 0.00 H new ATOM 0 HB VAL B 2 10.199 -3.348 -2.626 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.951 -4.826 -1.608 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.712 -5.135 -3.344 1.00 0.00 H new ATOM 0 HG13 VAL B 2 13.124 -4.201 -2.793 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.531 -2.680 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.677 -1.844 -1.702 1.00 0.00 H new ATOM 0 HG23 VAL B 2 10.989 -1.290 -1.598 1.00 0.00 H new ATOM 352 N ASN B 3 10.529 -0.570 -5.347 1.00 0.00 N ATOM 353 CA ASN B 3 9.955 0.771 -5.493 1.00 0.00 C ATOM 354 C ASN B 3 10.138 1.345 -6.907 1.00 0.00 C ATOM 355 O ASN B 3 11.135 1.061 -7.576 1.00 0.00 O ATOM 356 CB ASN B 3 10.545 1.702 -4.414 1.00 0.00 C ATOM 357 CG ASN B 3 12.070 1.816 -4.492 1.00 0.00 C ATOM 358 OD1 ASN B 3 12.798 0.919 -4.072 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.595 2.892 -5.044 1.00 0.00 N ATOM 0 H ASN B 3 11.151 -0.813 -6.118 1.00 0.00 H new ATOM 0 HA ASN B 3 8.877 0.696 -5.347 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.106 2.694 -4.518 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.264 1.331 -3.428 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.608 2.982 -5.124 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.988 3.635 -5.392 1.00 0.00 H new ATOM 366 N GLN B 4 9.171 2.147 -7.368 1.00 0.00 N ATOM 367 CA GLN B 4 9.048 2.610 -8.756 1.00 0.00 C ATOM 368 C GLN B 4 8.332 3.971 -8.846 1.00 0.00 C ATOM 369 O GLN B 4 7.699 4.423 -7.889 1.00 0.00 O ATOM 370 CB GLN B 4 8.251 1.565 -9.573 1.00 0.00 C ATOM 371 CG GLN B 4 8.956 0.215 -9.786 1.00 0.00 C ATOM 372 CD GLN B 4 8.152 -0.719 -10.697 1.00 0.00 C ATOM 373 OE1 GLN B 4 7.531 -1.680 -10.256 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.118 -0.479 -11.993 1.00 0.00 N ATOM 0 H GLN B 4 8.429 2.503 -6.766 1.00 0.00 H new ATOM 0 HA GLN B 4 10.054 2.730 -9.159 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.301 1.384 -9.070 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.019 1.992 -10.549 1.00 0.00 H new ATOM 0 HG2 GLN B 4 9.941 0.386 -10.221 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.113 -0.267 -8.821 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.628 0.316 -12.378 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.581 -1.088 -12.611 1.00 0.00 H new ATOM 383 N HIS B 5 8.365 4.588 -10.033 1.00 0.00 N ATOM 384 CA HIS B 5 7.302 5.484 -10.502 1.00 0.00 C ATOM 385 C HIS B 5 6.231 4.646 -11.230 1.00 0.00 C ATOM 386 O HIS B 5 6.570 3.797 -12.063 1.00 0.00 O ATOM 387 CB HIS B 5 7.856 6.522 -11.495 1.00 0.00 C ATOM 388 CG HIS B 5 8.860 7.498 -10.937 1.00 0.00 C ATOM 389 ND1 HIS B 5 8.598 8.539 -10.085 1.00 0.00 N ATOM 390 CD2 HIS B 5 10.179 7.590 -11.283 1.00 0.00 C ATOM 391 CE1 HIS B 5 9.729 9.243 -9.915 1.00 0.00 C ATOM 392 NE2 HIS B 5 10.734 8.698 -10.627 1.00 0.00 N ATOM 0 H HIS B 5 9.132 4.480 -10.697 1.00 0.00 H new ATOM 0 HA HIS B 5 6.881 6.002 -9.641 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.319 5.990 -12.326 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.019 7.087 -11.905 1.00 0.00 H new ATOM 0 HD1 HIS B 5 7.697 8.744 -9.653 1.00 0.00 H new ATOM 0 HD2 HIS B 5 10.705 6.922 -11.949 1.00 0.00 H new ATOM 0 HE1 HIS B 5 9.820 10.122 -9.295 1.00 0.00 H new ATOM 400 N LEU B 6 4.947 4.895 -10.960 1.00 0.00 N ATOM 401 CA LEU B 6 3.810 4.181 -11.546 1.00 0.00 C ATOM 402 C LEU B 6 2.624 5.136 -11.756 1.00 0.00 C ATOM 403 O LEU B 6 2.234 5.864 -10.843 1.00 0.00 O ATOM 404 CB LEU B 6 3.390 3.033 -10.610 1.00 0.00 C ATOM 405 CG LEU B 6 4.384 1.864 -10.453 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.941 0.981 -9.280 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.464 1.015 -11.732 1.00 0.00 C ATOM 0 H LEU B 6 4.661 5.623 -10.306 1.00 0.00 H new ATOM 0 HA LEU B 6 4.108 3.778 -12.514 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.200 3.452 -9.622 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.445 2.629 -10.972 1.00 0.00 H new ATOM 0 HG LEU B 6 5.374 2.280 -10.263 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.640 0.153 -9.164 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.925 1.573 -8.365 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.943 0.589 -9.476 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.174 0.201 -11.585 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.480 0.603 -11.957 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.795 1.639 -12.563 1.00 0.00 H new ATOM 419 N CYS B 7 2.021 5.099 -12.948 1.00 0.00 N ATOM 420 CA CYS B 7 0.850 5.897 -13.339 1.00 0.00 C ATOM 421 C CYS B 7 -0.212 5.000 -13.992 1.00 0.00 C ATOM 422 O CYS B 7 0.127 4.092 -14.760 1.00 0.00 O ATOM 423 CB CYS B 7 1.277 6.979 -14.342 1.00 0.00 C ATOM 424 SG CYS B 7 2.574 8.139 -13.826 1.00 0.00 S ATOM 0 H CYS B 7 2.346 4.489 -13.698 1.00 0.00 H new ATOM 0 HA CYS B 7 0.429 6.361 -12.447 1.00 0.00 H new ATOM 0 HB2 CYS B 7 1.615 6.480 -15.251 1.00 0.00 H new ATOM 0 HB3 CYS B 7 0.393 7.559 -14.606 1.00 0.00 H new ATOM 429 N GLY B 8 -1.494 5.264 -13.713 1.00 0.00 N ATOM 430 CA GLY B 8 -2.647 4.728 -14.461 1.00 0.00 C ATOM 431 C GLY B 8 -2.633 3.207 -14.639 1.00 0.00 C ATOM 432 O GLY B 8 -2.623 2.447 -13.671 1.00 0.00 O ATOM 0 H GLY B 8 -1.770 5.872 -12.942 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.564 5.013 -13.945 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -2.676 5.197 -15.445 1.00 0.00 H new ATOM 436 N SER B 9 -2.624 2.758 -15.891 1.00 0.00 N ATOM 437 CA SER B 9 -2.658 1.334 -16.260 1.00 0.00 C ATOM 438 C SER B 9 -1.459 0.550 -15.703 1.00 0.00 C ATOM 439 O SER B 9 -1.602 -0.600 -15.299 1.00 0.00 O ATOM 440 CB SER B 9 -2.694 1.194 -17.791 1.00 0.00 C ATOM 441 OG SER B 9 -3.792 1.910 -18.343 1.00 0.00 O ATOM 0 H SER B 9 -2.592 3.381 -16.698 1.00 0.00 H new ATOM 0 HA SER B 9 -3.560 0.910 -15.818 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.762 1.567 -18.216 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.769 0.141 -18.062 1.00 0.00 H new ATOM 0 HG SER B 9 -3.793 1.807 -19.318 1.00 0.00 H new ATOM 447 N HIS B 10 -0.284 1.180 -15.605 1.00 0.00 N ATOM 448 CA HIS B 10 0.918 0.559 -15.043 1.00 0.00 C ATOM 449 C HIS B 10 0.806 0.404 -13.515 1.00 0.00 C ATOM 450 O HIS B 10 1.191 -0.630 -12.965 1.00 0.00 O ATOM 451 CB HIS B 10 2.140 1.404 -15.430 1.00 0.00 C ATOM 452 CG HIS B 10 2.335 1.545 -16.921 1.00 0.00 C ATOM 453 ND1 HIS B 10 2.799 0.574 -17.778 1.00 0.00 N ATOM 454 CD2 HIS B 10 2.059 2.653 -17.677 1.00 0.00 C ATOM 455 CE1 HIS B 10 2.793 1.082 -19.023 1.00 0.00 C ATOM 456 NE2 HIS B 10 2.349 2.355 -19.015 1.00 0.00 N ATOM 0 H HIS B 10 -0.140 2.141 -15.915 1.00 0.00 H new ATOM 0 HA HIS B 10 1.030 -0.445 -15.453 1.00 0.00 H new ATOM 0 HB2 HIS B 10 2.038 2.396 -14.991 1.00 0.00 H new ATOM 0 HB3 HIS B 10 3.033 0.954 -14.997 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.683 3.595 -17.306 1.00 0.00 H new ATOM 0 HE1 HIS B 10 3.101 0.544 -19.907 1.00 0.00 H new ATOM 0 HE2 HIS B 10 2.245 2.974 -19.819 1.00 0.00 H new ATOM 464 N LEU B 11 0.213 1.395 -12.834 1.00 0.00 N ATOM 465 CA LEU B 11 -0.111 1.321 -11.404 1.00 0.00 C ATOM 466 C LEU B 11 -1.166 0.240 -11.131 1.00 0.00 C ATOM 467 O LEU B 11 -0.982 -0.568 -10.223 1.00 0.00 O ATOM 468 CB LEU B 11 -0.548 2.720 -10.932 1.00 0.00 C ATOM 469 CG LEU B 11 -0.955 2.807 -9.451 1.00 0.00 C ATOM 470 CD1 LEU B 11 0.182 2.423 -8.496 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.406 4.237 -9.150 1.00 0.00 C ATOM 0 H LEU B 11 -0.057 2.279 -13.266 1.00 0.00 H new ATOM 0 HA LEU B 11 0.767 1.023 -10.831 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.269 3.419 -11.111 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.388 3.048 -11.544 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.763 2.093 -9.288 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.165 2.504 -7.466 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.493 1.397 -8.695 1.00 0.00 H new ATOM 0 HD13 LEU B 11 1.027 3.095 -8.648 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.698 4.314 -8.103 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.586 4.927 -9.350 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.256 4.491 -9.783 1.00 0.00 H new ATOM 483 N VAL B 12 -2.228 0.187 -11.938 1.00 0.00 N ATOM 484 CA VAL B 12 -3.278 -0.849 -11.863 1.00 0.00 C ATOM 485 C VAL B 12 -2.706 -2.258 -12.089 1.00 0.00 C ATOM 486 O VAL B 12 -3.059 -3.185 -11.357 1.00 0.00 O ATOM 487 CB VAL B 12 -4.422 -0.529 -12.860 1.00 0.00 C ATOM 488 CG1 VAL B 12 -5.373 -1.707 -13.137 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.254 0.651 -12.330 1.00 0.00 C ATOM 0 H VAL B 12 -2.392 0.871 -12.677 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.692 -0.839 -10.855 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.930 -0.290 -13.803 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.142 -1.395 -13.844 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.809 -2.539 -13.558 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -5.843 -2.022 -12.205 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.057 0.874 -13.032 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.681 0.389 -11.362 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.614 1.527 -12.220 1.00 0.00 H new ATOM 499 N GLU B 13 -1.794 -2.417 -13.052 1.00 0.00 N ATOM 500 CA GLU B 13 -1.084 -3.674 -13.297 1.00 0.00 C ATOM 501 C GLU B 13 -0.203 -4.064 -12.099 1.00 0.00 C ATOM 502 O GLU B 13 -0.268 -5.199 -11.634 1.00 0.00 O ATOM 503 CB GLU B 13 -0.251 -3.540 -14.582 1.00 0.00 C ATOM 504 CG GLU B 13 0.415 -4.850 -15.003 1.00 0.00 C ATOM 505 CD GLU B 13 1.104 -4.697 -16.369 1.00 0.00 C ATOM 506 OE1 GLU B 13 2.232 -4.150 -16.426 1.00 0.00 O ATOM 507 OE2 GLU B 13 0.528 -5.129 -17.393 1.00 0.00 O ATOM 0 H GLU B 13 -1.525 -1.668 -13.690 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.813 -4.474 -13.425 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -0.894 -3.190 -15.390 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.516 -2.780 -14.433 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.147 -5.149 -14.253 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.331 -5.643 -15.054 1.00 0.00 H new ATOM 514 N ALA B 14 0.586 -3.130 -11.562 1.00 0.00 N ATOM 515 CA ALA B 14 1.460 -3.383 -10.414 1.00 0.00 C ATOM 516 C ALA B 14 0.672 -3.772 -9.148 1.00 0.00 C ATOM 517 O ALA B 14 1.025 -4.749 -8.483 1.00 0.00 O ATOM 518 CB ALA B 14 2.332 -2.142 -10.187 1.00 0.00 C ATOM 0 H ALA B 14 0.637 -2.173 -11.913 1.00 0.00 H new ATOM 0 HA ALA B 14 2.095 -4.242 -10.633 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.991 -2.311 -9.335 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.932 -1.951 -11.077 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.694 -1.281 -9.987 1.00 0.00 H new ATOM 524 N LEU B 15 -0.429 -3.070 -8.854 1.00 0.00 N ATOM 525 CA LEU B 15 -1.372 -3.414 -7.782 1.00 0.00 C ATOM 526 C LEU B 15 -1.870 -4.857 -7.933 1.00 0.00 C ATOM 527 O LEU B 15 -1.744 -5.650 -7.000 1.00 0.00 O ATOM 528 CB LEU B 15 -2.537 -2.406 -7.796 1.00 0.00 C ATOM 529 CG LEU B 15 -2.204 -1.044 -7.158 1.00 0.00 C ATOM 530 CD1 LEU B 15 -3.206 0.023 -7.620 1.00 0.00 C ATOM 531 CD2 LEU B 15 -2.262 -1.128 -5.626 1.00 0.00 C ATOM 0 H LEU B 15 -0.695 -2.229 -9.366 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.867 -3.354 -6.818 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -2.850 -2.244 -8.828 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -3.386 -2.843 -7.270 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.196 -0.773 -7.472 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.957 0.979 -7.160 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.161 0.119 -8.705 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -4.213 -0.271 -7.323 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.023 -0.154 -5.199 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.264 -1.425 -5.316 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.540 -1.865 -5.274 1.00 0.00 H new ATOM 543 N TYR B 16 -2.351 -5.237 -9.119 1.00 0.00 N ATOM 544 CA TYR B 16 -2.791 -6.611 -9.390 1.00 0.00 C ATOM 545 C TYR B 16 -1.656 -7.648 -9.297 1.00 0.00 C ATOM 546 O TYR B 16 -1.888 -8.771 -8.850 1.00 0.00 O ATOM 547 CB TYR B 16 -3.481 -6.676 -10.758 1.00 0.00 C ATOM 548 CG TYR B 16 -4.013 -8.058 -11.095 1.00 0.00 C ATOM 549 CD1 TYR B 16 -5.022 -8.634 -10.299 1.00 0.00 C ATOM 550 CD2 TYR B 16 -3.477 -8.788 -12.176 1.00 0.00 C ATOM 551 CE1 TYR B 16 -5.503 -9.927 -10.578 1.00 0.00 C ATOM 552 CE2 TYR B 16 -3.948 -10.086 -12.457 1.00 0.00 C ATOM 553 CZ TYR B 16 -4.967 -10.661 -11.660 1.00 0.00 C ATOM 554 OH TYR B 16 -5.412 -11.924 -11.920 1.00 0.00 O ATOM 0 H TYR B 16 -2.447 -4.607 -9.915 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.501 -6.878 -8.607 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.305 -5.962 -10.776 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.775 -6.368 -11.529 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.430 -8.079 -9.467 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.703 -8.351 -12.790 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -6.281 -10.358 -9.966 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.531 -10.644 -13.282 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.939 -12.284 -12.699 1.00 0.00 H new ATOM 564 N LEU B 17 -0.417 -7.290 -9.655 1.00 0.00 N ATOM 565 CA LEU B 17 0.745 -8.187 -9.551 1.00 0.00 C ATOM 566 C LEU B 17 1.237 -8.373 -8.110 1.00 0.00 C ATOM 567 O LEU B 17 1.628 -9.480 -7.743 1.00 0.00 O ATOM 568 CB LEU B 17 1.875 -7.689 -10.472 1.00 0.00 C ATOM 569 CG LEU B 17 1.623 -7.915 -11.977 1.00 0.00 C ATOM 570 CD1 LEU B 17 2.714 -7.188 -12.781 1.00 0.00 C ATOM 571 CD2 LEU B 17 1.622 -9.407 -12.350 1.00 0.00 C ATOM 0 H LEU B 17 -0.189 -6.368 -10.026 1.00 0.00 H new ATOM 0 HA LEU B 17 0.423 -9.175 -9.881 1.00 0.00 H new ATOM 0 HB2 LEU B 17 2.025 -6.623 -10.298 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.801 -8.191 -10.193 1.00 0.00 H new ATOM 0 HG LEU B 17 0.636 -7.518 -12.215 1.00 0.00 H new ATOM 0 HD11 LEU B 17 2.544 -7.342 -13.847 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.680 -6.121 -12.559 1.00 0.00 H new ATOM 0 HD13 LEU B 17 3.692 -7.585 -12.508 1.00 0.00 H new ATOM 0 HD21 LEU B 17 1.441 -9.515 -13.419 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.588 -9.845 -12.100 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.836 -9.920 -11.795 1.00 0.00 H new ATOM 583 N VAL B 18 1.182 -7.327 -7.286 1.00 0.00 N ATOM 584 CA VAL B 18 1.536 -7.391 -5.854 1.00 0.00 C ATOM 585 C VAL B 18 0.475 -8.159 -5.058 1.00 0.00 C ATOM 586 O VAL B 18 0.822 -8.980 -4.207 1.00 0.00 O ATOM 587 CB VAL B 18 1.744 -5.977 -5.259 1.00 0.00 C ATOM 588 CG1 VAL B 18 1.884 -5.965 -3.725 1.00 0.00 C ATOM 589 CG2 VAL B 18 3.030 -5.347 -5.827 1.00 0.00 C ATOM 0 H VAL B 18 0.888 -6.399 -7.589 1.00 0.00 H new ATOM 0 HA VAL B 18 2.480 -7.930 -5.776 1.00 0.00 H new ATOM 0 HB VAL B 18 0.850 -5.416 -5.533 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.027 -4.941 -3.381 1.00 0.00 H new ATOM 0 HG12 VAL B 18 0.981 -6.377 -3.274 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.743 -6.569 -3.433 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.167 -4.353 -5.402 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.885 -5.972 -5.570 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.949 -5.270 -6.911 1.00 0.00 H new ATOM 599 N CYS B 19 -0.811 -7.901 -5.327 1.00 0.00 N ATOM 600 CA CYS B 19 -1.917 -8.342 -4.457 1.00 0.00 C ATOM 601 C CYS B 19 -2.715 -9.539 -4.999 1.00 0.00 C ATOM 602 O CYS B 19 -3.418 -10.202 -4.234 1.00 0.00 O ATOM 603 CB CYS B 19 -2.829 -7.136 -4.200 1.00 0.00 C ATOM 604 SG CYS B 19 -1.943 -5.745 -3.451 1.00 0.00 S ATOM 0 H CYS B 19 -1.117 -7.383 -6.150 1.00 0.00 H new ATOM 0 HA CYS B 19 -1.481 -8.710 -3.528 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -3.275 -6.814 -5.141 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -3.647 -7.436 -3.546 1.00 0.00 H new ATOM 609 N GLY B 20 -2.609 -9.837 -6.297 1.00 0.00 N ATOM 610 CA GLY B 20 -3.298 -10.949 -6.963 1.00 0.00 C ATOM 611 C GLY B 20 -4.816 -10.761 -7.035 1.00 0.00 C ATOM 612 O GLY B 20 -5.336 -9.642 -6.959 1.00 0.00 O ATOM 0 H GLY B 20 -2.024 -9.296 -6.934 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -2.904 -11.060 -7.973 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -3.078 -11.875 -6.432 1.00 0.00 H new ATOM 616 N GLU B 21 -5.532 -11.881 -7.143 1.00 0.00 N ATOM 617 CA GLU B 21 -7.004 -11.935 -7.134 1.00 0.00 C ATOM 618 C GLU B 21 -7.618 -11.655 -5.742 1.00 0.00 C ATOM 619 O GLU B 21 -8.844 -11.611 -5.599 1.00 0.00 O ATOM 620 CB GLU B 21 -7.471 -13.302 -7.673 1.00 0.00 C ATOM 621 CG GLU B 21 -7.089 -13.510 -9.145 1.00 0.00 C ATOM 622 CD GLU B 21 -7.612 -14.859 -9.660 1.00 0.00 C ATOM 623 OE1 GLU B 21 -6.890 -15.879 -9.547 1.00 0.00 O ATOM 624 OE2 GLU B 21 -8.749 -14.911 -10.193 1.00 0.00 O ATOM 0 H GLU B 21 -5.100 -12.800 -7.242 1.00 0.00 H new ATOM 0 HA GLU B 21 -7.362 -11.136 -7.784 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -7.032 -14.097 -7.070 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -8.553 -13.382 -7.566 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -7.500 -12.701 -9.749 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -6.005 -13.470 -9.253 1.00 0.00 H new ATOM 631 N ARG B 22 -6.786 -11.435 -4.708 1.00 0.00 N ATOM 632 CA ARG B 22 -7.199 -11.084 -3.340 1.00 0.00 C ATOM 633 C ARG B 22 -7.984 -9.758 -3.272 1.00 0.00 C ATOM 634 O ARG B 22 -8.804 -9.573 -2.370 1.00 0.00 O ATOM 635 CB ARG B 22 -5.938 -11.012 -2.461 1.00 0.00 C ATOM 636 CG ARG B 22 -6.213 -11.245 -0.968 1.00 0.00 C ATOM 637 CD ARG B 22 -4.924 -11.135 -0.140 1.00 0.00 C ATOM 638 NE ARG B 22 -4.505 -9.734 0.017 1.00 0.00 N ATOM 639 CZ ARG B 22 -3.292 -9.204 -0.064 1.00 0.00 C ATOM 640 NH1 ARG B 22 -2.212 -9.875 -0.402 1.00 0.00 N ATOM 641 NH2 ARG B 22 -3.163 -7.933 0.221 1.00 0.00 N ATOM 0 H ARG B 22 -5.773 -11.499 -4.807 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.880 -11.854 -2.978 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -5.220 -11.754 -2.809 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -5.473 -10.034 -2.588 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -6.940 -10.515 -0.612 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -6.655 -12.231 -0.827 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -5.081 -11.582 0.842 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -4.129 -11.702 -0.624 1.00 0.00 H new ATOM 0 HE ARG B 22 -5.257 -9.074 0.217 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -2.277 -10.869 -0.622 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -1.310 -9.401 -0.444 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -3.980 -7.386 0.494 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -2.246 -7.489 0.170 1.00 0.00 H new ATOM 655 N GLY B 23 -7.752 -8.854 -4.234 1.00 0.00 N ATOM 656 CA GLY B 23 -8.428 -7.559 -4.395 1.00 0.00 C ATOM 657 C GLY B 23 -7.505 -6.369 -4.125 1.00 0.00 C ATOM 658 O GLY B 23 -6.703 -6.386 -3.188 1.00 0.00 O ATOM 0 H GLY B 23 -7.052 -9.015 -4.958 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -8.822 -7.484 -5.408 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -9.280 -7.513 -3.717 1.00 0.00 H new ATOM 662 N PHE B 24 -7.634 -5.325 -4.949 1.00 0.00 N ATOM 663 CA PHE B 24 -6.813 -4.110 -4.925 1.00 0.00 C ATOM 664 C PHE B 24 -7.627 -2.853 -5.272 1.00 0.00 C ATOM 665 O PHE B 24 -8.733 -2.952 -5.810 1.00 0.00 O ATOM 666 CB PHE B 24 -5.627 -4.283 -5.889 1.00 0.00 C ATOM 667 CG PHE B 24 -5.992 -4.264 -7.364 1.00 0.00 C ATOM 668 CD1 PHE B 24 -6.367 -5.451 -8.025 1.00 0.00 C ATOM 669 CD2 PHE B 24 -5.990 -3.046 -8.072 1.00 0.00 C ATOM 670 CE1 PHE B 24 -6.746 -5.412 -9.378 1.00 0.00 C ATOM 671 CE2 PHE B 24 -6.355 -3.011 -9.428 1.00 0.00 C ATOM 672 CZ PHE B 24 -6.732 -4.196 -10.081 1.00 0.00 C ATOM 0 H PHE B 24 -8.343 -5.302 -5.682 1.00 0.00 H new ATOM 0 HA PHE B 24 -6.441 -3.966 -3.910 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -4.904 -3.490 -5.698 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.130 -5.227 -5.665 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -6.363 -6.390 -7.492 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -5.706 -2.133 -7.569 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -7.049 -6.320 -9.879 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -6.346 -2.075 -9.967 1.00 0.00 H new ATOM 0 HZ PHE B 24 -7.011 -4.172 -11.124 1.00 0.00 H new ATOM 682 N PHE B 25 -7.053 -1.669 -5.020 1.00 0.00 N ATOM 683 CA PHE B 25 -7.595 -0.392 -5.490 1.00 0.00 C ATOM 684 C PHE B 25 -6.509 0.684 -5.658 1.00 0.00 C ATOM 685 O PHE B 25 -5.585 0.805 -4.850 1.00 0.00 O ATOM 686 CB PHE B 25 -8.717 0.096 -4.556 1.00 0.00 C ATOM 687 CG PHE B 25 -9.372 1.392 -5.010 1.00 0.00 C ATOM 688 CD1 PHE B 25 -9.986 1.468 -6.277 1.00 0.00 C ATOM 689 CD2 PHE B 25 -9.338 2.534 -4.186 1.00 0.00 C ATOM 690 CE1 PHE B 25 -10.542 2.681 -6.724 1.00 0.00 C ATOM 691 CE2 PHE B 25 -9.914 3.739 -4.625 1.00 0.00 C ATOM 692 CZ PHE B 25 -10.508 3.816 -5.896 1.00 0.00 C ATOM 0 H PHE B 25 -6.193 -1.572 -4.480 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.015 -0.567 -6.480 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -9.479 -0.680 -4.483 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -8.309 0.237 -3.555 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -10.030 0.592 -6.907 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.868 2.484 -3.215 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.995 2.740 -7.703 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.900 4.608 -3.984 1.00 0.00 H new ATOM 0 HZ PHE B 25 -10.938 4.746 -6.236 1.00 0.00 H new ATOM 702 N TYR B 26 -6.651 1.489 -6.712 1.00 0.00 N ATOM 703 CA TYR B 26 -5.819 2.638 -7.047 1.00 0.00 C ATOM 704 C TYR B 26 -6.361 3.917 -6.371 1.00 0.00 C ATOM 705 O TYR B 26 -7.076 4.720 -6.974 1.00 0.00 O ATOM 706 CB TYR B 26 -5.712 2.724 -8.583 1.00 0.00 C ATOM 707 CG TYR B 26 -7.015 2.679 -9.372 1.00 0.00 C ATOM 708 CD1 TYR B 26 -7.636 1.439 -9.635 1.00 0.00 C ATOM 709 CD2 TYR B 26 -7.590 3.864 -9.871 1.00 0.00 C ATOM 710 CE1 TYR B 26 -8.836 1.384 -10.365 1.00 0.00 C ATOM 711 CE2 TYR B 26 -8.794 3.818 -10.600 1.00 0.00 C ATOM 712 CZ TYR B 26 -9.423 2.577 -10.849 1.00 0.00 C ATOM 713 OH TYR B 26 -10.590 2.531 -11.554 1.00 0.00 O ATOM 0 H TYR B 26 -7.396 1.345 -7.394 1.00 0.00 H new ATOM 0 HA TYR B 26 -4.807 2.525 -6.657 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.195 3.650 -8.835 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.081 1.904 -8.925 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -7.186 0.526 -9.273 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.105 4.813 -9.694 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -9.309 0.432 -10.556 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -9.237 4.731 -10.969 1.00 0.00 H new ATOM 0 HH TYR B 26 -10.854 3.440 -11.810 1.00 0.00 H new ATOM 723 N THR B 27 -6.037 4.093 -5.084 1.00 0.00 N ATOM 724 CA THR B 27 -6.509 5.195 -4.219 1.00 0.00 C ATOM 725 C THR B 27 -6.046 6.574 -4.727 1.00 0.00 C ATOM 726 O THR B 27 -4.830 6.785 -4.838 1.00 0.00 O ATOM 727 CB THR B 27 -6.061 4.954 -2.775 1.00 0.00 C ATOM 728 OG1 THR B 27 -6.537 3.685 -2.398 1.00 0.00 O ATOM 729 CG2 THR B 27 -6.647 5.966 -1.794 1.00 0.00 C ATOM 0 H THR B 27 -5.416 3.450 -4.593 1.00 0.00 H new ATOM 0 HA THR B 27 -7.598 5.204 -4.253 1.00 0.00 H new ATOM 0 HB THR B 27 -4.975 5.041 -2.740 1.00 0.00 H new ATOM 0 HG1 THR B 27 -6.019 3.355 -1.635 1.00 0.00 H new ATOM 0 HG21 THR B 27 -6.293 5.744 -0.787 1.00 0.00 H new ATOM 0 HG22 THR B 27 -6.331 6.971 -2.076 1.00 0.00 H new ATOM 0 HG23 THR B 27 -7.735 5.908 -1.818 1.00 0.00 H new ATOM 737 N PRO B 28 -6.964 7.517 -5.017 1.00 0.00 N ATOM 738 CA PRO B 28 -6.637 8.881 -5.426 1.00 0.00 C ATOM 739 C PRO B 28 -6.278 9.765 -4.221 1.00 0.00 C ATOM 740 O PRO B 28 -6.506 9.405 -3.066 1.00 0.00 O ATOM 741 CB PRO B 28 -7.889 9.387 -6.151 1.00 0.00 C ATOM 742 CG PRO B 28 -9.018 8.697 -5.387 1.00 0.00 C ATOM 743 CD PRO B 28 -8.412 7.338 -5.033 1.00 0.00 C ATOM 0 HA PRO B 28 -5.758 8.912 -6.070 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -7.973 10.473 -6.105 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -7.886 9.112 -7.206 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -9.303 9.256 -4.496 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -9.914 8.593 -5.998 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -8.770 6.995 -4.062 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -8.701 6.583 -5.764 1.00 0.00 H new ATOM 751 N LYS B 29 -5.753 10.962 -4.493 1.00 0.00 N ATOM 752 CA LYS B 29 -5.502 11.992 -3.476 1.00 0.00 C ATOM 753 C LYS B 29 -6.816 12.532 -2.859 1.00 0.00 C ATOM 754 O LYS B 29 -7.809 12.739 -3.568 1.00 0.00 O ATOM 755 CB LYS B 29 -4.651 13.095 -4.130 1.00 0.00 C ATOM 756 CG LYS B 29 -4.238 14.221 -3.167 1.00 0.00 C ATOM 757 CD LYS B 29 -3.422 15.316 -3.876 1.00 0.00 C ATOM 758 CE LYS B 29 -1.984 14.861 -4.177 1.00 0.00 C ATOM 759 NZ LYS B 29 -1.334 15.756 -5.171 1.00 0.00 N ATOM 0 H LYS B 29 -5.487 11.249 -5.435 1.00 0.00 H new ATOM 0 HA LYS B 29 -4.956 11.566 -2.634 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -3.753 12.644 -4.552 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -5.211 13.527 -4.959 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -5.130 14.664 -2.723 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -3.650 13.802 -2.350 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -3.917 15.591 -4.807 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -3.396 16.210 -3.252 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -1.402 14.853 -3.256 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -1.995 13.839 -4.556 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -0.323 15.521 -5.242 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -1.785 15.629 -6.100 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -1.439 16.745 -4.868 1.00 0.00 H new ATOM 773 N THR B 30 -6.809 12.767 -1.539 1.00 0.00 N ATOM 774 CA THR B 30 -7.952 13.249 -0.728 1.00 0.00 C ATOM 775 C THR B 30 -8.487 14.607 -1.199 1.00 0.00 C ATOM 776 O THR B 30 -7.691 15.568 -1.315 1.00 0.00 O ATOM 777 CB THR B 30 -7.556 13.330 0.754 1.00 0.00 C ATOM 778 OG1 THR B 30 -6.942 12.116 1.143 1.00 0.00 O ATOM 779 CG2 THR B 30 -8.762 13.562 1.671 1.00 0.00 C ATOM 780 OXT THR B 30 -9.710 14.714 -1.448 1.00 0.00 O ATOM 0 H THR B 30 -5.971 12.622 -0.976 1.00 0.00 H new ATOM 0 HA THR B 30 -8.756 12.525 -0.859 1.00 0.00 H new ATOM 0 HB THR B 30 -6.876 14.176 0.856 1.00 0.00 H new ATOM 0 HG1 THR B 30 -6.687 12.166 2.088 1.00 0.00 H new ATOM 0 HG21 THR B 30 -8.427 13.611 2.707 1.00 0.00 H new ATOM 0 HG22 THR B 30 -9.249 14.499 1.402 1.00 0.00 H new ATOM 0 HG23 THR B 30 -9.469 12.740 1.557 1.00 0.00 H new TER 788 THR B 30