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= 0.688 (180deg=0) USER MOD Set 1.2: B 30 THR OG1 : rot 180:sc= 0.614 USER MOD Single : A 5 GLN : amide:sc= 0.887 K(o=0.89,f=-0.028) USER MOD Single : A 8 THR OG1 : rot -68:sc= 1.33 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.13) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 30:sc= -0.044 USER MOD Single : A 21 ASN : amide:sc= 0.0711! X(o=0.071!,f=-0.023) USER MOD Single : B 1 PHE N :NH3+ 141:sc= 0.224 (180deg=0.0386) USER MOD Single : B 3 ASN : amide:sc= 0.103 X(o=0.1,f=0) USER MOD Single : B 4 GLN : amide:sc= 0.891 K(o=0.89,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.758 K(o=0.76,f=-2.3!) 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 180:sc= 0.273 USER MOD Single : B 29 LYS NZ :NH3+ 170:sc= 1.03 (180deg=0.956) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.381 9.915 -1.311 1.00 0.00 N ATOM 2 CA GLY A 1 -3.174 9.019 -2.184 1.00 0.00 C ATOM 3 C GLY A 1 -2.284 8.312 -3.189 1.00 0.00 C ATOM 4 O GLY A 1 -1.417 8.946 -3.791 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.967 10.228 -0.511 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.550 9.403 -0.952 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.069 10.744 -1.856 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.698 8.282 -1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.934 9.597 -2.709 1.00 0.00 H new ATOM 10 N ILE A 2 -2.461 6.999 -3.371 1.00 0.00 N ATOM 11 CA ILE A 2 -1.485 6.134 -4.069 1.00 0.00 C ATOM 12 C ILE A 2 -1.219 6.546 -5.523 1.00 0.00 C ATOM 13 O ILE A 2 -0.064 6.552 -5.938 1.00 0.00 O ATOM 14 CB ILE A 2 -1.880 4.642 -3.919 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.777 3.647 -4.338 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.180 4.278 -4.661 1.00 0.00 C ATOM 17 CD1 ILE A 2 0.488 3.737 -3.479 1.00 0.00 C ATOM 0 H ILE A 2 -3.286 6.498 -3.040 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.523 6.275 -3.577 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.038 4.539 -2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.173 2.633 -4.281 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.512 3.828 -5.380 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.398 3.220 -4.515 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.003 4.876 -4.269 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.060 4.480 -5.725 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.219 3.009 -3.831 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.909 4.740 -3.555 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.238 3.526 -2.439 1.00 0.00 H new ATOM 29 N VAL A 3 -2.241 6.961 -6.277 1.00 0.00 N ATOM 30 CA VAL A 3 -2.086 7.306 -7.707 1.00 0.00 C ATOM 31 C VAL A 3 -1.255 8.585 -7.896 1.00 0.00 C ATOM 32 O VAL A 3 -0.465 8.659 -8.834 1.00 0.00 O ATOM 33 CB VAL A 3 -3.451 7.414 -8.432 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.321 7.797 -9.916 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.210 6.083 -8.351 1.00 0.00 C ATOM 0 H VAL A 3 -3.192 7.069 -5.925 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.539 6.484 -8.169 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.994 8.208 -7.920 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.313 7.856 -10.365 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.827 8.765 -10.000 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.731 7.042 -10.436 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.166 6.178 -8.865 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.620 5.298 -8.824 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.384 5.826 -7.306 1.00 0.00 H new ATOM 45 N GLU A 4 -1.366 9.555 -6.981 1.00 0.00 N ATOM 46 CA GLU A 4 -0.513 10.749 -6.985 1.00 0.00 C ATOM 47 C GLU A 4 0.902 10.416 -6.494 1.00 0.00 C ATOM 48 O GLU A 4 1.872 10.808 -7.142 1.00 0.00 O ATOM 49 CB GLU A 4 -1.128 11.863 -6.120 1.00 0.00 C ATOM 50 CG GLU A 4 -2.389 12.484 -6.737 1.00 0.00 C ATOM 51 CD GLU A 4 -2.078 13.345 -7.971 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.694 14.528 -7.808 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.235 12.852 -9.113 1.00 0.00 O ATOM 0 H GLU A 4 -2.046 9.535 -6.221 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.445 11.105 -8.013 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.374 11.458 -5.139 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.385 12.645 -5.965 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.081 11.690 -7.017 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.892 13.096 -5.988 1.00 0.00 H new ATOM 60 N GLN A 5 1.029 9.671 -5.388 1.00 0.00 N ATOM 61 CA GLN A 5 2.323 9.305 -4.797 1.00 0.00 C ATOM 62 C GLN A 5 3.190 8.511 -5.781 1.00 0.00 C ATOM 63 O GLN A 5 4.373 8.806 -5.923 1.00 0.00 O ATOM 64 CB GLN A 5 2.070 8.504 -3.505 1.00 0.00 C ATOM 65 CG GLN A 5 3.355 8.058 -2.783 1.00 0.00 C ATOM 66 CD GLN A 5 4.248 9.217 -2.329 1.00 0.00 C ATOM 67 OE1 GLN A 5 3.813 10.150 -1.666 1.00 0.00 O ATOM 68 NE2 GLN A 5 5.522 9.214 -2.657 1.00 0.00 N ATOM 0 H GLN A 5 0.229 9.302 -4.874 1.00 0.00 H new ATOM 0 HA GLN A 5 2.876 10.214 -4.560 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.475 9.112 -2.823 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.477 7.622 -3.747 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.082 7.461 -1.913 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.927 7.411 -3.448 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.905 8.446 -3.209 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.127 9.979 -2.359 1.00 0.00 H new ATOM 77 N CYS A 6 2.612 7.528 -6.479 1.00 0.00 N ATOM 78 CA CYS A 6 3.330 6.701 -7.454 1.00 0.00 C ATOM 79 C CYS A 6 3.730 7.428 -8.740 1.00 0.00 C ATOM 80 O CYS A 6 4.680 7.006 -9.399 1.00 0.00 O ATOM 81 CB CYS A 6 2.442 5.506 -7.805 1.00 0.00 C ATOM 82 SG CYS A 6 2.287 4.217 -6.549 1.00 0.00 S ATOM 0 H CYS A 6 1.627 7.282 -6.383 1.00 0.00 H new ATOM 0 HA CYS A 6 4.267 6.402 -6.985 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.444 5.879 -8.035 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.830 5.049 -8.716 1.00 0.00 H new ATOM 87 N CYS A 7 3.004 8.484 -9.122 1.00 0.00 N ATOM 88 CA CYS A 7 3.142 9.110 -10.444 1.00 0.00 C ATOM 89 C CYS A 7 3.860 10.473 -10.412 1.00 0.00 C ATOM 90 O CYS A 7 4.647 10.763 -11.318 1.00 0.00 O ATOM 91 CB CYS A 7 1.751 9.196 -11.082 1.00 0.00 C ATOM 92 SG CYS A 7 1.752 9.611 -12.847 1.00 0.00 S ATOM 0 H CYS A 7 2.306 8.929 -8.526 1.00 0.00 H new ATOM 0 HA CYS A 7 3.792 8.485 -11.056 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.245 8.240 -10.948 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.166 9.944 -10.547 1.00 0.00 H new ATOM 97 N THR A 8 3.637 11.292 -9.370 1.00 0.00 N ATOM 98 CA THR A 8 4.325 12.587 -9.154 1.00 0.00 C ATOM 99 C THR A 8 5.659 12.414 -8.432 1.00 0.00 C ATOM 100 O THR A 8 6.613 13.137 -8.714 1.00 0.00 O ATOM 101 CB THR A 8 3.442 13.592 -8.398 1.00 0.00 C ATOM 102 OG1 THR A 8 3.191 13.169 -7.078 1.00 0.00 O ATOM 103 CG2 THR A 8 2.107 13.846 -9.103 1.00 0.00 C ATOM 0 H THR A 8 2.962 11.073 -8.638 1.00 0.00 H new ATOM 0 HA THR A 8 4.525 12.990 -10.147 1.00 0.00 H new ATOM 0 HB THR A 8 4.005 14.525 -8.380 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.617 12.375 -7.093 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.522 14.563 -8.527 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.292 14.246 -10.100 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.555 12.910 -9.185 1.00 0.00 H new ATOM 111 N SER A 9 5.739 11.429 -7.546 1.00 0.00 N ATOM 112 CA SER A 9 6.951 10.958 -6.866 1.00 0.00 C ATOM 113 C SER A 9 7.170 9.466 -7.174 1.00 0.00 C ATOM 114 O SER A 9 6.628 8.943 -8.151 1.00 0.00 O ATOM 115 CB SER A 9 6.811 11.226 -5.354 1.00 0.00 C ATOM 116 OG SER A 9 6.677 12.613 -5.070 1.00 0.00 O ATOM 0 H SER A 9 4.913 10.903 -7.262 1.00 0.00 H new ATOM 0 HA SER A 9 7.828 11.496 -7.225 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.942 10.691 -4.970 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.684 10.832 -4.833 1.00 0.00 H new ATOM 0 HG SER A 9 6.589 12.742 -4.102 1.00 0.00 H new ATOM 122 N ILE A 10 7.978 8.768 -6.377 1.00 0.00 N ATOM 123 CA ILE A 10 8.074 7.302 -6.403 1.00 0.00 C ATOM 124 C ILE A 10 7.199 6.668 -5.313 1.00 0.00 C ATOM 125 O ILE A 10 6.902 7.291 -4.289 1.00 0.00 O ATOM 126 CB ILE A 10 9.543 6.831 -6.304 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.244 7.282 -4.999 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.321 7.256 -7.562 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.632 6.658 -4.792 1.00 0.00 C ATOM 0 H ILE A 10 8.591 9.204 -5.688 1.00 0.00 H new ATOM 0 HA ILE A 10 7.691 6.962 -7.365 1.00 0.00 H new ATOM 0 HB ILE A 10 9.533 5.742 -6.256 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.342 8.368 -5.007 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.610 7.025 -4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.355 6.919 -7.482 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.861 6.808 -8.443 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.299 8.342 -7.654 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.059 7.022 -3.857 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.540 5.573 -4.751 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.283 6.936 -5.621 1.00 0.00 H new ATOM 141 N CYS A 11 6.838 5.401 -5.503 1.00 0.00 N ATOM 142 CA CYS A 11 6.180 4.570 -4.490 1.00 0.00 C ATOM 143 C CYS A 11 6.764 3.153 -4.460 1.00 0.00 C ATOM 144 O CYS A 11 7.445 2.731 -5.395 1.00 0.00 O ATOM 145 CB CYS A 11 4.674 4.539 -4.759 1.00 0.00 C ATOM 146 SG CYS A 11 4.206 3.636 -6.256 1.00 0.00 S ATOM 0 H CYS A 11 6.997 4.910 -6.383 1.00 0.00 H new ATOM 0 HA CYS A 11 6.359 5.008 -3.508 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.173 4.086 -3.904 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.309 5.563 -4.837 1.00 0.00 H new ATOM 151 N SER A 12 6.497 2.411 -3.387 1.00 0.00 N ATOM 152 CA SER A 12 7.024 1.057 -3.175 1.00 0.00 C ATOM 153 C SER A 12 5.945 -0.001 -3.415 1.00 0.00 C ATOM 154 O SER A 12 4.777 0.225 -3.099 1.00 0.00 O ATOM 155 CB SER A 12 7.566 0.910 -1.742 1.00 0.00 C ATOM 156 OG SER A 12 8.554 1.889 -1.448 1.00 0.00 O ATOM 0 H SER A 12 5.900 2.735 -2.627 1.00 0.00 H new ATOM 0 HA SER A 12 7.832 0.904 -3.890 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.744 0.999 -1.032 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.991 -0.085 -1.615 1.00 0.00 H new ATOM 0 HG SER A 12 8.874 1.766 -0.530 1.00 0.00 H new ATOM 162 N LEU A 13 6.322 -1.199 -3.878 1.00 0.00 N ATOM 163 CA LEU A 13 5.392 -2.327 -4.043 1.00 0.00 C ATOM 164 C LEU A 13 4.719 -2.705 -2.718 1.00 0.00 C ATOM 165 O LEU A 13 3.547 -3.062 -2.685 1.00 0.00 O ATOM 166 CB LEU A 13 6.149 -3.528 -4.632 1.00 0.00 C ATOM 167 CG LEU A 13 6.833 -3.300 -5.999 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.409 -4.628 -6.500 1.00 0.00 C ATOM 169 CD2 LEU A 13 5.894 -2.714 -7.063 1.00 0.00 C ATOM 0 H LEU A 13 7.281 -1.416 -4.150 1.00 0.00 H new ATOM 0 HA LEU A 13 4.600 -2.025 -4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.910 -3.838 -3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.449 -4.358 -4.733 1.00 0.00 H new ATOM 0 HG LEU A 13 7.622 -2.564 -5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.893 -4.474 -7.464 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.140 -5.001 -5.783 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.604 -5.355 -6.610 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.440 -2.580 -7.997 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.059 -3.395 -7.226 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.515 -1.750 -6.723 1.00 0.00 H new ATOM 181 N TYR A 14 5.428 -2.529 -1.601 1.00 0.00 N ATOM 182 CA TYR A 14 4.869 -2.674 -0.252 1.00 0.00 C ATOM 183 C TYR A 14 3.740 -1.673 0.065 1.00 0.00 C ATOM 184 O TYR A 14 2.833 -1.980 0.840 1.00 0.00 O ATOM 185 CB TYR A 14 6.023 -2.531 0.752 1.00 0.00 C ATOM 186 CG TYR A 14 5.639 -2.798 2.193 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.422 -4.120 2.627 1.00 0.00 C ATOM 188 CD2 TYR A 14 5.483 -1.735 3.102 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.056 -4.383 3.961 1.00 0.00 C ATOM 190 CE2 TYR A 14 5.115 -1.987 4.438 1.00 0.00 C ATOM 191 CZ TYR A 14 4.901 -3.315 4.873 1.00 0.00 C ATOM 192 OH TYR A 14 4.545 -3.574 6.161 1.00 0.00 O ATOM 0 H TYR A 14 6.417 -2.279 -1.606 1.00 0.00 H new ATOM 0 HA TYR A 14 4.402 -3.656 -0.182 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.821 -3.217 0.469 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.429 -1.522 0.678 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.537 -4.938 1.932 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.647 -0.719 2.773 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.894 -5.400 4.287 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.996 -1.166 5.130 1.00 0.00 H new ATOM 0 HH TYR A 14 4.482 -2.732 6.659 1.00 0.00 H new ATOM 202 N GLN A 15 3.752 -0.492 -0.567 1.00 0.00 N ATOM 203 CA GLN A 15 2.703 0.522 -0.434 1.00 0.00 C ATOM 204 C GLN A 15 1.531 0.229 -1.375 1.00 0.00 C ATOM 205 O GLN A 15 0.388 0.432 -0.976 1.00 0.00 O ATOM 206 CB GLN A 15 3.272 1.937 -0.670 1.00 0.00 C ATOM 207 CG GLN A 15 4.279 2.376 0.406 1.00 0.00 C ATOM 208 CD GLN A 15 3.652 2.464 1.799 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.791 1.572 2.627 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.917 3.512 2.112 1.00 0.00 N ATOM 0 H GLN A 15 4.505 -0.212 -1.195 1.00 0.00 H new ATOM 0 HA GLN A 15 2.323 0.482 0.587 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.757 1.968 -1.646 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.449 2.651 -0.701 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.110 1.671 0.430 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.693 3.348 0.136 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.789 4.265 1.436 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.476 3.570 3.030 1.00 0.00 H new ATOM 219 N LEU A 16 1.787 -0.327 -2.569 1.00 0.00 N ATOM 220 CA LEU A 16 0.730 -0.917 -3.405 1.00 0.00 C ATOM 221 C LEU A 16 -0.032 -2.003 -2.620 1.00 0.00 C ATOM 222 O LEU A 16 -1.257 -1.970 -2.542 1.00 0.00 O ATOM 223 CB LEU A 16 1.329 -1.496 -4.707 1.00 0.00 C ATOM 224 CG LEU A 16 1.577 -0.489 -5.844 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.671 0.541 -5.557 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.977 -1.244 -7.118 1.00 0.00 C ATOM 0 H LEU A 16 2.720 -0.380 -2.978 1.00 0.00 H new ATOM 0 HA LEU A 16 0.023 -0.133 -3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.275 -1.979 -4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.660 -2.273 -5.077 1.00 0.00 H new ATOM 0 HG LEU A 16 0.639 0.056 -5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.776 1.208 -6.413 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.402 1.122 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.616 0.028 -5.379 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.153 -0.531 -7.923 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.888 -1.814 -6.933 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.175 -1.925 -7.404 1.00 0.00 H new ATOM 238 N GLU A 17 0.698 -2.924 -1.986 1.00 0.00 N ATOM 239 CA GLU A 17 0.149 -4.016 -1.168 1.00 0.00 C ATOM 240 C GLU A 17 -0.642 -3.498 0.047 1.00 0.00 C ATOM 241 O GLU A 17 -1.723 -4.013 0.358 1.00 0.00 O ATOM 242 CB GLU A 17 1.314 -4.943 -0.756 1.00 0.00 C ATOM 243 CG GLU A 17 0.998 -6.449 -0.756 1.00 0.00 C ATOM 244 CD GLU A 17 0.219 -6.954 0.463 1.00 0.00 C ATOM 245 OE1 GLU A 17 0.499 -6.525 1.605 1.00 0.00 O ATOM 246 OE2 GLU A 17 -0.663 -7.827 0.280 1.00 0.00 O ATOM 0 H GLU A 17 1.717 -2.934 -2.027 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.574 -4.580 -1.757 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.152 -4.766 -1.431 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.644 -4.659 0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.427 -6.684 -1.654 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.936 -7.000 -0.821 1.00 0.00 H new ATOM 253 N ASN A 18 -0.155 -2.436 0.702 1.00 0.00 N ATOM 254 CA ASN A 18 -0.842 -1.774 1.817 1.00 0.00 C ATOM 255 C ASN A 18 -2.175 -1.107 1.403 1.00 0.00 C ATOM 256 O ASN A 18 -3.131 -1.110 2.179 1.00 0.00 O ATOM 257 CB ASN A 18 0.121 -0.745 2.436 1.00 0.00 C ATOM 258 CG ASN A 18 -0.482 -0.040 3.649 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.550 -0.593 4.742 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.949 1.187 3.493 1.00 0.00 N ATOM 0 H ASN A 18 0.740 -2.007 0.468 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.114 -2.534 2.550 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.043 -1.246 2.731 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.388 -0.003 1.684 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.368 1.678 4.283 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.890 1.643 2.583 1.00 0.00 H new ATOM 267 N TYR A 19 -2.263 -0.550 0.187 1.00 0.00 N ATOM 268 CA TYR A 19 -3.481 0.094 -0.330 1.00 0.00 C ATOM 269 C TYR A 19 -4.590 -0.894 -0.740 1.00 0.00 C ATOM 270 O TYR A 19 -5.755 -0.499 -0.795 1.00 0.00 O ATOM 271 CB TYR A 19 -3.120 1.042 -1.489 1.00 0.00 C ATOM 272 CG TYR A 19 -3.078 2.500 -1.075 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.948 3.017 -0.409 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.180 3.342 -1.328 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.903 4.370 -0.020 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.146 4.699 -0.940 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.003 5.217 -0.290 1.00 0.00 C ATOM 278 OH TYR A 19 -2.949 6.534 0.058 1.00 0.00 O ATOM 0 H TYR A 19 -1.485 -0.533 -0.472 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.904 0.667 0.495 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.149 0.758 -1.894 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.848 0.919 -2.291 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.110 2.370 -0.195 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.055 2.947 -1.822 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.031 4.760 0.483 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.992 5.340 -1.140 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.020 6.844 0.023 1.00 0.00 H new ATOM 288 N CYS A 20 -4.272 -2.169 -1.011 1.00 0.00 N ATOM 289 CA CYS A 20 -5.274 -3.184 -1.370 1.00 0.00 C ATOM 290 C CYS A 20 -6.254 -3.540 -0.236 1.00 0.00 C ATOM 291 O CYS A 20 -5.970 -3.321 0.947 1.00 0.00 O ATOM 292 CB CYS A 20 -4.561 -4.414 -1.922 1.00 0.00 C ATOM 293 SG CYS A 20 -3.858 -4.098 -3.557 1.00 0.00 S ATOM 0 H CYS A 20 -3.316 -2.525 -0.988 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.913 -2.751 -2.140 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.769 -4.714 -1.236 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.263 -5.246 -1.982 1.00 0.00 H new ATOM 298 N ASN A 21 -7.412 -4.100 -0.610 1.00 0.00 N ATOM 299 CA ASN A 21 -8.594 -4.269 0.243 1.00 0.00 C ATOM 300 C ASN A 21 -8.448 -5.370 1.312 1.00 0.00 C ATOM 301 O ASN A 21 -8.899 -5.132 2.454 1.00 0.00 O ATOM 302 CB ASN A 21 -9.817 -4.504 -0.680 1.00 0.00 C ATOM 303 CG ASN A 21 -11.192 -4.281 -0.048 1.00 0.00 C ATOM 304 OD1 ASN A 21 -12.155 -3.959 -0.730 1.00 0.00 O ATOM 305 ND2 ASN A 21 -11.357 -4.437 1.246 1.00 0.00 N ATOM 306 OXT ASN A 21 -7.947 -6.469 0.991 1.00 0.00 O ATOM 0 H ASN A 21 -7.556 -4.462 -1.553 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.729 -3.360 0.828 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.726 -3.845 -1.544 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.773 -5.527 -1.053 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.276 -4.290 1.664 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.567 -4.705 1.832 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 12.592 -2.714 -0.003 1.00 0.00 N ATOM 315 CA PHE B 1 11.564 -3.011 -1.036 1.00 0.00 C ATOM 316 C PHE B 1 11.939 -2.391 -2.389 1.00 0.00 C ATOM 317 O PHE B 1 12.770 -1.483 -2.438 1.00 0.00 O ATOM 318 CB PHE B 1 10.166 -2.530 -0.594 1.00 0.00 C ATOM 319 CG PHE B 1 9.702 -3.072 0.748 1.00 0.00 C ATOM 320 CD1 PHE B 1 9.388 -4.438 0.890 1.00 0.00 C ATOM 321 CD2 PHE B 1 9.582 -2.215 1.859 1.00 0.00 C ATOM 322 CE1 PHE B 1 8.965 -4.941 2.134 1.00 0.00 C ATOM 323 CE2 PHE B 1 9.155 -2.717 3.102 1.00 0.00 C ATOM 324 CZ PHE B 1 8.850 -4.080 3.239 1.00 0.00 C ATOM 0 H1 PHE B 1 12.125 -2.518 0.905 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.225 -3.532 0.102 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.146 -1.883 -0.293 1.00 0.00 H new ATOM 0 HA PHE B 1 11.529 -4.094 -1.154 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.169 -1.441 -0.549 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.441 -2.816 -1.356 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.472 -5.101 0.042 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.819 -1.166 1.756 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.728 -5.989 2.240 1.00 0.00 H new ATOM 0 HE2 PHE B 1 9.062 -2.054 3.950 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.527 -4.467 4.194 1.00 0.00 H new ATOM 336 N VAL B 2 11.317 -2.839 -3.486 1.00 0.00 N ATOM 337 CA VAL B 2 11.429 -2.199 -4.814 1.00 0.00 C ATOM 338 C VAL B 2 10.522 -0.966 -4.848 1.00 0.00 C ATOM 339 O VAL B 2 9.370 -1.025 -4.413 1.00 0.00 O ATOM 340 CB VAL B 2 11.063 -3.179 -5.957 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.047 -2.505 -7.342 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.043 -4.367 -6.002 1.00 0.00 C ATOM 0 H VAL B 2 10.715 -3.663 -3.483 1.00 0.00 H new ATOM 0 HA VAL B 2 12.465 -1.901 -4.973 1.00 0.00 H new ATOM 0 HB VAL B 2 10.055 -3.529 -5.734 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.784 -3.241 -8.102 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.312 -1.700 -7.347 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.034 -2.096 -7.559 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.763 -5.039 -6.813 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.055 -3.998 -6.170 1.00 0.00 H new ATOM 0 HG23 VAL B 2 12.005 -4.906 -5.055 1.00 0.00 H new ATOM 352 N ASN B 3 11.045 0.138 -5.386 1.00 0.00 N ATOM 353 CA ASN B 3 10.324 1.404 -5.550 1.00 0.00 C ATOM 354 C ASN B 3 10.504 2.001 -6.954 1.00 0.00 C ATOM 355 O ASN B 3 11.586 1.913 -7.541 1.00 0.00 O ATOM 356 CB ASN B 3 10.709 2.391 -4.432 1.00 0.00 C ATOM 357 CG ASN B 3 12.207 2.562 -4.174 1.00 0.00 C ATOM 358 OD1 ASN B 3 12.661 2.480 -3.039 1.00 0.00 O ATOM 359 ND2 ASN B 3 13.030 2.805 -5.181 1.00 0.00 N ATOM 0 H ASN B 3 12.005 0.178 -5.728 1.00 0.00 H new ATOM 0 HA ASN B 3 9.258 1.198 -5.455 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.289 3.367 -4.676 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.236 2.063 -3.506 1.00 0.00 H new ATOM 0 HD21 ASN B 3 14.028 2.921 -5.007 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.666 2.876 -6.131 1.00 0.00 H new ATOM 366 N GLN B 4 9.440 2.579 -7.508 1.00 0.00 N ATOM 367 CA GLN B 4 9.317 2.929 -8.927 1.00 0.00 C ATOM 368 C GLN B 4 8.435 4.175 -9.118 1.00 0.00 C ATOM 369 O GLN B 4 7.658 4.538 -8.232 1.00 0.00 O ATOM 370 CB GLN B 4 8.682 1.733 -9.680 1.00 0.00 C ATOM 371 CG GLN B 4 9.517 0.438 -9.765 1.00 0.00 C ATOM 372 CD GLN B 4 10.718 0.567 -10.709 1.00 0.00 C ATOM 373 OE1 GLN B 4 10.632 0.301 -11.903 1.00 0.00 O ATOM 374 NE2 GLN B 4 11.871 0.996 -10.236 1.00 0.00 N ATOM 0 H GLN B 4 8.612 2.826 -6.967 1.00 0.00 H new ATOM 0 HA GLN B 4 10.309 3.150 -9.321 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.734 1.494 -9.199 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.452 2.055 -10.695 1.00 0.00 H new ATOM 0 HG2 GLN B 4 9.871 0.173 -8.769 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.880 -0.378 -10.105 1.00 0.00 H new ATOM 0 HE21 GLN B 4 11.963 1.223 -9.246 1.00 0.00 H new ATOM 0 HE22 GLN B 4 12.671 1.101 -10.860 1.00 0.00 H new ATOM 383 N HIS B 5 8.498 4.791 -10.301 1.00 0.00 N ATOM 384 CA HIS B 5 7.403 5.614 -10.820 1.00 0.00 C ATOM 385 C HIS B 5 6.394 4.706 -11.544 1.00 0.00 C ATOM 386 O HIS B 5 6.774 3.883 -12.383 1.00 0.00 O ATOM 387 CB HIS B 5 7.929 6.668 -11.803 1.00 0.00 C ATOM 388 CG HIS B 5 8.805 7.737 -11.202 1.00 0.00 C ATOM 389 ND1 HIS B 5 8.422 8.696 -10.294 1.00 0.00 N ATOM 390 CD2 HIS B 5 10.101 8.010 -11.550 1.00 0.00 C ATOM 391 CE1 HIS B 5 9.459 9.527 -10.102 1.00 0.00 C ATOM 392 NE2 HIS B 5 10.517 9.151 -10.845 1.00 0.00 N ATOM 0 H HIS B 5 9.304 4.734 -10.923 1.00 0.00 H new ATOM 0 HA HIS B 5 6.924 6.127 -9.986 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.491 6.160 -12.586 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.077 7.149 -12.283 1.00 0.00 H new ATOM 0 HD1 HIS B 5 7.509 8.764 -9.845 1.00 0.00 H new ATOM 0 HD2 HIS B 5 10.701 7.444 -12.248 1.00 0.00 H new ATOM 0 HE1 HIS B 5 9.446 10.381 -9.441 1.00 0.00 H new ATOM 400 N LEU B 6 5.107 4.872 -11.246 1.00 0.00 N ATOM 401 CA LEU B 6 3.997 4.091 -11.791 1.00 0.00 C ATOM 402 C LEU B 6 2.773 5.009 -11.970 1.00 0.00 C ATOM 403 O LEU B 6 2.391 5.728 -11.052 1.00 0.00 O ATOM 404 CB LEU B 6 3.677 2.925 -10.827 1.00 0.00 C ATOM 405 CG LEU B 6 4.733 1.809 -10.699 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.320 0.857 -9.569 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.880 1.008 -12.003 1.00 0.00 C ATOM 0 H LEU B 6 4.795 5.587 -10.589 1.00 0.00 H new ATOM 0 HA LEU B 6 4.265 3.676 -12.763 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.505 3.344 -9.835 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.740 2.469 -11.147 1.00 0.00 H new ATOM 0 HG LEU B 6 5.693 2.276 -10.481 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.062 0.064 -9.472 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.255 1.411 -8.632 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.349 0.419 -9.799 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.634 0.232 -11.870 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.925 0.547 -12.257 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.185 1.676 -12.808 1.00 0.00 H new ATOM 419 N CYS B 7 2.146 4.981 -13.147 1.00 0.00 N ATOM 420 CA CYS B 7 1.013 5.838 -13.520 1.00 0.00 C ATOM 421 C CYS B 7 -0.050 5.023 -14.269 1.00 0.00 C ATOM 422 O CYS B 7 0.283 4.095 -15.014 1.00 0.00 O ATOM 423 CB CYS B 7 1.513 6.974 -14.428 1.00 0.00 C ATOM 424 SG CYS B 7 2.777 8.096 -13.760 1.00 0.00 S ATOM 0 H CYS B 7 2.420 4.341 -13.893 1.00 0.00 H new ATOM 0 HA CYS B 7 0.569 6.251 -12.614 1.00 0.00 H new ATOM 0 HB2 CYS B 7 1.910 6.525 -15.338 1.00 0.00 H new ATOM 0 HB3 CYS B 7 0.651 7.575 -14.719 1.00 0.00 H new ATOM 429 N GLY B 8 -1.324 5.382 -14.104 1.00 0.00 N ATOM 430 CA GLY B 8 -2.433 4.916 -14.952 1.00 0.00 C ATOM 431 C GLY B 8 -2.550 3.394 -15.027 1.00 0.00 C ATOM 432 O GLY B 8 -2.506 2.695 -14.012 1.00 0.00 O ATOM 0 H GLY B 8 -1.624 6.017 -13.364 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.368 5.325 -14.570 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -2.300 5.312 -15.959 1.00 0.00 H new ATOM 436 N SER B 9 -2.675 2.872 -16.246 1.00 0.00 N ATOM 437 CA SER B 9 -2.834 1.437 -16.528 1.00 0.00 C ATOM 438 C SER B 9 -1.634 0.606 -16.047 1.00 0.00 C ATOM 439 O SER B 9 -1.802 -0.534 -15.616 1.00 0.00 O ATOM 440 CB SER B 9 -3.023 1.226 -18.039 1.00 0.00 C ATOM 441 OG SER B 9 -4.103 2.008 -18.538 1.00 0.00 O ATOM 0 H SER B 9 -2.669 3.445 -17.090 1.00 0.00 H new ATOM 0 HA SER B 9 -3.712 1.096 -15.980 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.105 1.492 -18.563 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.211 0.171 -18.241 1.00 0.00 H new ATOM 0 HG SER B 9 -4.199 1.856 -19.501 1.00 0.00 H new ATOM 447 N HIS B 10 -0.427 1.178 -16.048 1.00 0.00 N ATOM 448 CA HIS B 10 0.781 0.513 -15.551 1.00 0.00 C ATOM 449 C HIS B 10 0.746 0.358 -14.020 1.00 0.00 C ATOM 450 O HIS B 10 1.097 -0.703 -13.498 1.00 0.00 O ATOM 451 CB HIS B 10 2.011 1.311 -16.008 1.00 0.00 C ATOM 452 CG HIS B 10 2.110 1.489 -17.502 1.00 0.00 C ATOM 453 ND1 HIS B 10 2.515 0.542 -18.417 1.00 0.00 N ATOM 454 CD2 HIS B 10 1.805 2.623 -18.206 1.00 0.00 C ATOM 455 CE1 HIS B 10 2.451 1.092 -19.641 1.00 0.00 C ATOM 456 NE2 HIS B 10 2.019 2.366 -19.566 1.00 0.00 N ATOM 0 H HIS B 10 -0.259 2.122 -16.396 1.00 0.00 H new ATOM 0 HA HIS B 10 0.834 -0.494 -15.964 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.989 2.294 -15.537 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.910 0.807 -15.653 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.459 3.555 -17.785 1.00 0.00 H new ATOM 0 HE1 HIS B 10 2.710 0.583 -20.558 1.00 0.00 H new ATOM 0 HE2 HIS B 10 1.877 3.012 -20.342 1.00 0.00 H new ATOM 464 N LEU B 11 0.248 1.374 -13.296 1.00 0.00 N ATOM 465 CA LEU B 11 -0.016 1.273 -11.859 1.00 0.00 C ATOM 466 C LEU B 11 -1.138 0.269 -11.575 1.00 0.00 C ATOM 467 O LEU B 11 -0.969 -0.566 -10.693 1.00 0.00 O ATOM 468 CB LEU B 11 -0.313 2.670 -11.281 1.00 0.00 C ATOM 469 CG LEU B 11 -0.615 2.686 -9.768 1.00 0.00 C ATOM 470 CD1 LEU B 11 0.502 2.088 -8.902 1.00 0.00 C ATOM 471 CD2 LEU B 11 -0.878 4.131 -9.331 1.00 0.00 C ATOM 0 H LEU B 11 0.019 2.285 -13.693 1.00 0.00 H new ATOM 0 HA LEU B 11 0.873 0.891 -11.357 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.541 3.319 -11.475 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.164 3.096 -11.813 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.490 2.054 -9.615 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.214 2.136 -7.852 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.666 1.048 -9.186 1.00 0.00 H new ATOM 0 HD13 LEU B 11 1.421 2.654 -9.052 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.093 4.155 -8.263 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.002 4.740 -9.538 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -1.731 4.528 -9.881 1.00 0.00 H new ATOM 483 N VAL B 12 -2.239 0.298 -12.335 1.00 0.00 N ATOM 484 CA VAL B 12 -3.337 -0.685 -12.188 1.00 0.00 C ATOM 485 C VAL B 12 -2.837 -2.126 -12.381 1.00 0.00 C ATOM 486 O VAL B 12 -3.172 -2.997 -11.580 1.00 0.00 O ATOM 487 CB VAL B 12 -4.524 -0.392 -13.143 1.00 0.00 C ATOM 488 CG1 VAL B 12 -5.586 -1.507 -13.152 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.233 0.915 -12.753 1.00 0.00 C ATOM 0 H VAL B 12 -2.400 0.993 -13.064 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.703 -0.582 -11.167 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.080 -0.320 -14.136 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.388 -1.240 -13.840 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.129 -2.443 -13.474 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -5.994 -1.629 -12.149 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.061 1.098 -13.438 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.615 0.832 -11.735 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.526 1.743 -12.809 1.00 0.00 H new ATOM 499 N GLU B 13 -2.018 -2.371 -13.407 1.00 0.00 N ATOM 500 CA GLU B 13 -1.426 -3.687 -13.681 1.00 0.00 C ATOM 501 C GLU B 13 -0.491 -4.126 -12.541 1.00 0.00 C ATOM 502 O GLU B 13 -0.610 -5.244 -12.041 1.00 0.00 O ATOM 503 CB GLU B 13 -0.673 -3.633 -15.021 1.00 0.00 C ATOM 504 CG GLU B 13 -0.217 -5.001 -15.547 1.00 0.00 C ATOM 505 CD GLU B 13 -1.399 -5.850 -16.054 1.00 0.00 C ATOM 506 OE1 GLU B 13 -1.880 -5.606 -17.188 1.00 0.00 O ATOM 507 OE2 GLU B 13 -1.836 -6.781 -15.340 1.00 0.00 O ATOM 0 H GLU B 13 -1.743 -1.655 -14.079 1.00 0.00 H new ATOM 0 HA GLU B 13 -2.223 -4.428 -13.746 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -1.316 -3.166 -15.767 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.201 -2.991 -14.907 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.499 -4.858 -16.356 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.302 -5.539 -14.754 1.00 0.00 H new ATOM 514 N ALA B 14 0.406 -3.244 -12.087 1.00 0.00 N ATOM 515 CA ALA B 14 1.329 -3.530 -10.987 1.00 0.00 C ATOM 516 C ALA B 14 0.572 -3.849 -9.688 1.00 0.00 C ATOM 517 O ALA B 14 0.833 -4.868 -9.049 1.00 0.00 O ATOM 518 CB ALA B 14 2.277 -2.333 -10.825 1.00 0.00 C ATOM 0 H ALA B 14 0.511 -2.307 -12.476 1.00 0.00 H new ATOM 0 HA ALA B 14 1.915 -4.420 -11.218 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.973 -2.528 -10.009 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.835 -2.183 -11.749 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.697 -1.437 -10.601 1.00 0.00 H new ATOM 524 N LEU B 15 -0.406 -3.016 -9.326 1.00 0.00 N ATOM 525 CA LEU B 15 -1.251 -3.155 -8.136 1.00 0.00 C ATOM 526 C LEU B 15 -2.010 -4.489 -8.134 1.00 0.00 C ATOM 527 O LEU B 15 -1.950 -5.234 -7.155 1.00 0.00 O ATOM 528 CB LEU B 15 -2.169 -1.919 -8.120 1.00 0.00 C ATOM 529 CG LEU B 15 -3.089 -1.789 -6.899 1.00 0.00 C ATOM 530 CD1 LEU B 15 -2.305 -1.615 -5.595 1.00 0.00 C ATOM 531 CD2 LEU B 15 -4.013 -0.578 -7.108 1.00 0.00 C ATOM 0 H LEU B 15 -0.641 -2.191 -9.877 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.662 -3.188 -7.220 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.547 -1.026 -8.179 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -2.787 -1.937 -9.017 1.00 0.00 H new ATOM 0 HG LEU B 15 -3.665 -2.710 -6.808 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.001 -1.528 -4.761 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.660 -2.480 -5.440 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.695 -0.714 -5.655 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -4.674 -0.472 -6.248 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.411 0.324 -7.217 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -4.610 -0.727 -8.008 1.00 0.00 H new ATOM 543 N TYR B 16 -2.637 -4.845 -9.257 1.00 0.00 N ATOM 544 CA TYR B 16 -3.296 -6.142 -9.452 1.00 0.00 C ATOM 545 C TYR B 16 -2.338 -7.340 -9.294 1.00 0.00 C ATOM 546 O TYR B 16 -2.688 -8.326 -8.641 1.00 0.00 O ATOM 547 CB TYR B 16 -3.972 -6.149 -10.833 1.00 0.00 C ATOM 548 CG TYR B 16 -4.588 -7.485 -11.215 1.00 0.00 C ATOM 549 CD1 TYR B 16 -5.782 -7.915 -10.600 1.00 0.00 C ATOM 550 CD2 TYR B 16 -3.956 -8.306 -12.170 1.00 0.00 C ATOM 551 CE1 TYR B 16 -6.345 -9.160 -10.942 1.00 0.00 C ATOM 552 CE2 TYR B 16 -4.513 -9.552 -12.515 1.00 0.00 C ATOM 553 CZ TYR B 16 -5.713 -9.983 -11.901 1.00 0.00 C ATOM 554 OH TYR B 16 -6.266 -11.185 -12.232 1.00 0.00 O ATOM 0 H TYR B 16 -2.703 -4.232 -10.070 1.00 0.00 H new ATOM 0 HA TYR B 16 -4.043 -6.263 -8.667 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.749 -5.385 -10.849 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.236 -5.871 -11.587 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.266 -7.288 -9.865 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -3.040 -7.978 -12.639 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -7.261 -9.486 -10.471 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -4.025 -10.178 -13.247 1.00 0.00 H new ATOM 0 HH TYR B 16 -5.709 -11.627 -12.906 1.00 0.00 H new ATOM 564 N LEU B 17 -1.116 -7.253 -9.838 1.00 0.00 N ATOM 565 CA LEU B 17 -0.111 -8.325 -9.764 1.00 0.00 C ATOM 566 C LEU B 17 0.562 -8.428 -8.390 1.00 0.00 C ATOM 567 O LEU B 17 0.877 -9.531 -7.943 1.00 0.00 O ATOM 568 CB LEU B 17 0.936 -8.132 -10.880 1.00 0.00 C ATOM 569 CG LEU B 17 0.407 -8.385 -12.312 1.00 0.00 C ATOM 570 CD1 LEU B 17 1.501 -8.006 -13.316 1.00 0.00 C ATOM 571 CD2 LEU B 17 -0.021 -9.842 -12.539 1.00 0.00 C ATOM 0 H LEU B 17 -0.794 -6.430 -10.346 1.00 0.00 H new ATOM 0 HA LEU B 17 -0.633 -9.270 -9.911 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.323 -7.115 -10.825 1.00 0.00 H new ATOM 0 HB3 LEU B 17 1.775 -8.803 -10.693 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.482 -7.770 -12.452 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.140 -8.180 -14.330 1.00 0.00 H new ATOM 0 HD12 LEU B 17 1.755 -6.953 -13.197 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.387 -8.615 -13.136 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -0.383 -9.960 -13.560 1.00 0.00 H new ATOM 0 HD22 LEU B 17 0.832 -10.501 -12.378 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.816 -10.101 -11.840 1.00 0.00 H new ATOM 583 N VAL B 18 0.741 -7.303 -7.698 1.00 0.00 N ATOM 584 CA VAL B 18 1.249 -7.242 -6.316 1.00 0.00 C ATOM 585 C VAL B 18 0.260 -7.899 -5.349 1.00 0.00 C ATOM 586 O VAL B 18 0.672 -8.683 -4.493 1.00 0.00 O ATOM 587 CB VAL B 18 1.537 -5.779 -5.891 1.00 0.00 C ATOM 588 CG1 VAL B 18 1.680 -5.581 -4.371 1.00 0.00 C ATOM 589 CG2 VAL B 18 2.841 -5.283 -6.540 1.00 0.00 C ATOM 0 H VAL B 18 0.533 -6.383 -8.087 1.00 0.00 H new ATOM 0 HA VAL B 18 2.188 -7.794 -6.278 1.00 0.00 H new ATOM 0 HB VAL B 18 0.669 -5.212 -6.226 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.880 -4.531 -4.158 1.00 0.00 H new ATOM 0 HG12 VAL B 18 0.756 -5.882 -3.876 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.505 -6.190 -4.001 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.032 -4.255 -6.234 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.669 -5.916 -6.222 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.747 -5.327 -7.625 1.00 0.00 H new ATOM 599 N CYS B 19 -1.036 -7.591 -5.483 1.00 0.00 N ATOM 600 CA CYS B 19 -2.048 -8.033 -4.513 1.00 0.00 C ATOM 601 C CYS B 19 -2.696 -9.381 -4.846 1.00 0.00 C ATOM 602 O CYS B 19 -3.109 -10.086 -3.923 1.00 0.00 O ATOM 603 CB CYS B 19 -3.102 -6.932 -4.354 1.00 0.00 C ATOM 604 SG CYS B 19 -2.345 -5.424 -3.697 1.00 0.00 S ATOM 0 H CYS B 19 -1.410 -7.037 -6.254 1.00 0.00 H new ATOM 0 HA CYS B 19 -1.532 -8.203 -3.568 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -3.567 -6.723 -5.317 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -3.893 -7.271 -3.685 1.00 0.00 H new ATOM 609 N GLY B 20 -2.764 -9.768 -6.128 1.00 0.00 N ATOM 610 CA GLY B 20 -3.507 -10.952 -6.598 1.00 0.00 C ATOM 611 C GLY B 20 -3.118 -12.236 -5.850 1.00 0.00 C ATOM 612 O GLY B 20 -1.931 -12.516 -5.670 1.00 0.00 O ATOM 0 H GLY B 20 -2.298 -9.261 -6.881 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -4.576 -10.776 -6.476 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -3.326 -11.089 -7.664 1.00 0.00 H new ATOM 616 N GLU B 21 -4.062 -13.068 -5.393 1.00 0.00 N ATOM 617 CA GLU B 21 -5.506 -13.062 -5.680 1.00 0.00 C ATOM 618 C GLU B 21 -6.323 -11.992 -4.910 1.00 0.00 C ATOM 619 O GLU B 21 -7.483 -11.750 -5.251 1.00 0.00 O ATOM 620 CB GLU B 21 -6.034 -14.477 -5.367 1.00 0.00 C ATOM 621 CG GLU B 21 -7.386 -14.849 -5.997 1.00 0.00 C ATOM 622 CD GLU B 21 -7.337 -14.867 -7.536 1.00 0.00 C ATOM 623 OE1 GLU B 21 -6.629 -15.723 -8.117 1.00 0.00 O ATOM 624 OE2 GLU B 21 -8.029 -14.041 -8.179 1.00 0.00 O ATOM 0 H GLU B 21 -3.817 -13.828 -4.759 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.637 -12.791 -6.728 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -5.290 -15.202 -5.698 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -6.120 -14.580 -4.285 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -7.693 -15.830 -5.635 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -8.143 -14.137 -5.670 1.00 0.00 H new ATOM 631 N ARG B 22 -5.750 -11.323 -3.897 1.00 0.00 N ATOM 632 CA ARG B 22 -6.436 -10.271 -3.127 1.00 0.00 C ATOM 633 C ARG B 22 -6.751 -9.039 -3.994 1.00 0.00 C ATOM 634 O ARG B 22 -5.953 -8.629 -4.841 1.00 0.00 O ATOM 635 CB ARG B 22 -5.615 -9.913 -1.870 1.00 0.00 C ATOM 636 CG ARG B 22 -6.402 -9.087 -0.841 1.00 0.00 C ATOM 637 CD ARG B 22 -5.694 -9.026 0.525 1.00 0.00 C ATOM 638 NE ARG B 22 -4.416 -8.291 0.481 1.00 0.00 N ATOM 639 CZ ARG B 22 -4.229 -7.007 0.772 1.00 0.00 C ATOM 640 NH1 ARG B 22 -5.210 -6.194 1.087 1.00 0.00 N ATOM 641 NH2 ARG B 22 -3.020 -6.512 0.746 1.00 0.00 N ATOM 0 H ARG B 22 -4.794 -11.497 -3.587 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.400 -10.658 -2.797 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -5.268 -10.832 -1.398 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -4.728 -9.355 -2.171 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -6.541 -8.075 -1.221 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -7.395 -9.519 -0.714 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -6.355 -8.551 1.249 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -5.511 -10.041 0.878 1.00 0.00 H new ATOM 0 HE ARG B 22 -3.592 -8.822 0.199 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -6.169 -6.540 1.117 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -5.013 -5.217 1.302 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -2.229 -7.109 0.504 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -2.867 -5.528 0.968 1.00 0.00 H new ATOM 655 N GLY B 23 -7.930 -8.453 -3.775 1.00 0.00 N ATOM 656 CA GLY B 23 -8.491 -7.349 -4.567 1.00 0.00 C ATOM 657 C GLY B 23 -7.921 -5.989 -4.167 1.00 0.00 C ATOM 658 O GLY B 23 -7.543 -5.784 -3.011 1.00 0.00 O ATOM 0 H GLY B 23 -8.545 -8.742 -3.014 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -8.290 -7.526 -5.624 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -9.574 -7.334 -4.447 1.00 0.00 H new ATOM 662 N PHE B 24 -7.867 -5.057 -5.119 1.00 0.00 N ATOM 663 CA PHE B 24 -7.225 -3.755 -4.942 1.00 0.00 C ATOM 664 C PHE B 24 -8.200 -2.578 -4.785 1.00 0.00 C ATOM 665 O PHE B 24 -9.398 -2.683 -5.065 1.00 0.00 O ATOM 666 CB PHE B 24 -6.219 -3.524 -6.078 1.00 0.00 C ATOM 667 CG PHE B 24 -6.794 -3.331 -7.470 1.00 0.00 C ATOM 668 CD1 PHE B 24 -7.178 -2.047 -7.907 1.00 0.00 C ATOM 669 CD2 PHE B 24 -6.897 -4.427 -8.349 1.00 0.00 C ATOM 670 CE1 PHE B 24 -7.659 -1.862 -9.215 1.00 0.00 C ATOM 671 CE2 PHE B 24 -7.384 -4.239 -9.657 1.00 0.00 C ATOM 672 CZ PHE B 24 -7.763 -2.956 -10.091 1.00 0.00 C ATOM 0 H PHE B 24 -8.273 -5.187 -6.046 1.00 0.00 H new ATOM 0 HA PHE B 24 -6.699 -3.788 -3.988 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.623 -2.645 -5.831 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.537 -4.374 -6.106 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -7.103 -1.204 -7.236 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -6.602 -5.412 -8.020 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -7.949 -0.876 -9.548 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -7.467 -5.081 -10.328 1.00 0.00 H new ATOM 0 HZ PHE B 24 -8.133 -2.812 -11.095 1.00 0.00 H new ATOM 682 N PHE B 25 -7.644 -1.440 -4.353 1.00 0.00 N ATOM 683 CA PHE B 25 -8.293 -0.131 -4.280 1.00 0.00 C ATOM 684 C PHE B 25 -7.320 0.945 -4.789 1.00 0.00 C ATOM 685 O PHE B 25 -6.126 0.924 -4.486 1.00 0.00 O ATOM 686 CB PHE B 25 -8.752 0.128 -2.840 1.00 0.00 C ATOM 687 CG PHE B 25 -9.217 1.551 -2.580 1.00 0.00 C ATOM 688 CD1 PHE B 25 -10.373 2.047 -3.211 1.00 0.00 C ATOM 689 CD2 PHE B 25 -8.471 2.393 -1.731 1.00 0.00 C ATOM 690 CE1 PHE B 25 -10.775 3.378 -2.998 1.00 0.00 C ATOM 691 CE2 PHE B 25 -8.880 3.718 -1.509 1.00 0.00 C ATOM 692 CZ PHE B 25 -10.028 4.214 -2.149 1.00 0.00 C ATOM 0 H PHE B 25 -6.678 -1.409 -4.028 1.00 0.00 H new ATOM 0 HA PHE B 25 -9.178 -0.101 -4.916 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -9.565 -0.557 -2.601 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.931 -0.103 -2.162 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -10.952 1.405 -3.859 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.581 2.017 -1.249 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.659 3.759 -3.488 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.312 4.355 -0.847 1.00 0.00 H new ATOM 0 HZ PHE B 25 -10.337 5.237 -1.989 1.00 0.00 H new ATOM 702 N TYR B 26 -7.841 1.870 -5.598 1.00 0.00 N ATOM 703 CA TYR B 26 -7.077 2.791 -6.446 1.00 0.00 C ATOM 704 C TYR B 26 -7.649 4.220 -6.349 1.00 0.00 C ATOM 705 O TYR B 26 -8.851 4.422 -6.553 1.00 0.00 O ATOM 706 CB TYR B 26 -7.165 2.225 -7.875 1.00 0.00 C ATOM 707 CG TYR B 26 -6.417 2.965 -8.965 1.00 0.00 C ATOM 708 CD1 TYR B 26 -7.057 3.985 -9.696 1.00 0.00 C ATOM 709 CD2 TYR B 26 -5.105 2.580 -9.303 1.00 0.00 C ATOM 710 CE1 TYR B 26 -6.399 4.609 -10.774 1.00 0.00 C ATOM 711 CE2 TYR B 26 -4.444 3.192 -10.386 1.00 0.00 C ATOM 712 CZ TYR B 26 -5.088 4.211 -11.124 1.00 0.00 C ATOM 713 OH TYR B 26 -4.446 4.808 -12.170 1.00 0.00 O ATOM 0 H TYR B 26 -8.848 2.004 -5.685 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.036 2.867 -6.131 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.800 1.198 -7.854 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.217 2.184 -8.157 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -8.058 4.290 -9.428 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -4.604 1.813 -8.730 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.895 5.390 -11.332 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -3.444 2.882 -10.653 1.00 0.00 H new ATOM 0 HH TYR B 26 -3.554 4.416 -12.273 1.00 0.00 H new ATOM 723 N THR B 27 -6.802 5.209 -6.014 1.00 0.00 N ATOM 724 CA THR B 27 -7.227 6.589 -5.701 1.00 0.00 C ATOM 725 C THR B 27 -6.075 7.605 -5.772 1.00 0.00 C ATOM 726 O THR B 27 -4.952 7.267 -5.374 1.00 0.00 O ATOM 727 CB THR B 27 -7.928 6.640 -4.330 1.00 0.00 C ATOM 728 OG1 THR B 27 -8.371 7.959 -4.098 1.00 0.00 O ATOM 729 CG2 THR B 27 -7.032 6.228 -3.160 1.00 0.00 C ATOM 0 H THR B 27 -5.793 5.074 -5.952 1.00 0.00 H new ATOM 0 HA THR B 27 -7.938 6.883 -6.473 1.00 0.00 H new ATOM 0 HB THR B 27 -8.749 5.925 -4.374 1.00 0.00 H new ATOM 0 HG1 THR B 27 -8.821 8.005 -3.228 1.00 0.00 H new ATOM 0 HG21 THR B 27 -7.597 6.290 -2.230 1.00 0.00 H new ATOM 0 HG22 THR B 27 -6.688 5.204 -3.308 1.00 0.00 H new ATOM 0 HG23 THR B 27 -6.172 6.896 -3.107 1.00 0.00 H new ATOM 737 N PRO B 28 -6.320 8.850 -6.239 1.00 0.00 N ATOM 738 CA PRO B 28 -5.372 9.955 -6.121 1.00 0.00 C ATOM 739 C PRO B 28 -5.329 10.567 -4.717 1.00 0.00 C ATOM 740 O PRO B 28 -4.373 11.263 -4.387 1.00 0.00 O ATOM 741 CB PRO B 28 -5.843 10.980 -7.159 1.00 0.00 C ATOM 742 CG PRO B 28 -7.357 10.793 -7.163 1.00 0.00 C ATOM 743 CD PRO B 28 -7.516 9.287 -6.960 1.00 0.00 C ATOM 0 HA PRO B 28 -4.352 9.613 -6.295 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -5.562 11.996 -6.880 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -5.410 10.788 -8.141 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -7.836 11.361 -6.366 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -7.802 11.123 -8.101 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -8.418 9.063 -6.391 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -7.606 8.771 -7.916 1.00 0.00 H new ATOM 751 N LYS B 29 -6.338 10.312 -3.879 1.00 0.00 N ATOM 752 CA LYS B 29 -6.596 11.067 -2.650 1.00 0.00 C ATOM 753 C LYS B 29 -6.422 10.209 -1.380 1.00 0.00 C ATOM 754 O LYS B 29 -6.821 9.045 -1.340 1.00 0.00 O ATOM 755 CB LYS B 29 -8.023 11.626 -2.765 1.00 0.00 C ATOM 756 CG LYS B 29 -8.286 12.771 -1.772 1.00 0.00 C ATOM 757 CD LYS B 29 -9.776 13.122 -1.652 1.00 0.00 C ATOM 758 CE LYS B 29 -10.599 12.057 -0.909 1.00 0.00 C ATOM 759 NZ LYS B 29 -10.273 11.994 0.544 1.00 0.00 N ATOM 0 H LYS B 29 -7.010 9.562 -4.039 1.00 0.00 H new ATOM 0 HA LYS B 29 -5.868 11.872 -2.547 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -8.189 11.984 -3.781 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -8.740 10.824 -2.589 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -7.903 12.490 -0.791 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -7.733 13.655 -2.089 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -9.876 14.075 -1.132 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -10.191 13.259 -2.651 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -11.660 12.273 -1.031 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -10.418 11.082 -1.361 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -10.965 11.388 1.029 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -9.319 11.599 0.669 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -10.307 12.951 0.949 1.00 0.00 H new ATOM 773 N THR B 30 -5.820 10.797 -0.342 1.00 0.00 N ATOM 774 CA THR B 30 -5.673 10.201 1.002 1.00 0.00 C ATOM 775 C THR B 30 -7.025 10.113 1.723 1.00 0.00 C ATOM 776 O THR B 30 -7.836 11.062 1.608 1.00 0.00 O ATOM 777 CB THR B 30 -4.679 11.018 1.835 1.00 0.00 C ATOM 778 OG1 THR B 30 -3.508 11.215 1.071 1.00 0.00 O ATOM 779 CG2 THR B 30 -4.267 10.312 3.125 1.00 0.00 C ATOM 780 OXT THR B 30 -7.281 9.080 2.380 1.00 0.00 O ATOM 0 H THR B 30 -5.408 11.727 -0.409 1.00 0.00 H new ATOM 0 HA THR B 30 -5.290 9.187 0.883 1.00 0.00 H new ATOM 0 HB THR B 30 -5.172 11.954 2.097 1.00 0.00 H new ATOM 0 HG1 THR B 30 -2.863 11.738 1.591 1.00 0.00 H new ATOM 0 HG21 THR B 30 -3.563 10.938 3.673 1.00 0.00 H new ATOM 0 HG22 THR B 30 -5.149 10.134 3.740 1.00 0.00 H new ATOM 0 HG23 THR B 30 -3.795 9.360 2.884 1.00 0.00 H new TER 788 THR B 30