USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 378 hydrogens (11 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: A 2 IIL H2 : A 2 IIL N : A 1 GLY C :(H bumps) USER MOD NoAdj-H: A 2 IIL H : A 2 IIL N : A 1 GLY C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0501 K(o=-0.05,f=-1.1!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.52 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 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc=-0.00196 X(o=-0.002,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -2.26 K(o=-2.3,f=-7.7!) USER MOD Single : B 1 PHE N :NH3+ -177:sc= 0 (180deg=-0.0113) USER MOD Single : B 3 ASN : amide:sc= -3.03! C(o=-3!,f=-3.3!) USER MOD Single : B 4 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : B 5 HIS : no HD1:sc= -10.3! C(o=-10!,f=-11!) USER MOD Single : B 9 SER OG : rot 180:sc= -0.238 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 165:sc= -1.65! USER MOD Single : B 27 THR OG1 : rot 48:sc= -0.322 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot -5:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.404 2.510 -1.669 1.00 0.00 N ATOM 2 CA GLY A 1 -6.267 3.326 -1.056 1.00 0.00 C ATOM 3 C GLY A 1 -4.921 3.301 -1.695 1.00 0.00 C ATOM 4 O GLY A 1 -4.166 4.250 -1.611 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.268 2.639 -1.104 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.576 2.832 -2.643 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.143 1.503 -1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.593 4.366 -1.020 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.146 2.995 -0.025 1.00 0.00 H new HETATM 10 N IIL A 2 -4.582 2.224 -2.348 1.00 0.00 N HETATM 11 CA IIL A 2 -3.249 2.142 -3.007 1.00 0.00 C HETATM 12 C IIL A 2 -3.255 2.996 -4.277 1.00 0.00 C HETATM 13 O IIL A 2 -2.274 3.628 -4.617 1.00 0.00 O HETATM 14 CB IIL A 2 -2.949 0.688 -3.376 1.00 0.00 C HETATM 15 CG2 IIL A 2 -1.584 0.609 -4.060 1.00 0.00 C HETATM 16 CG1 IIL A 2 -4.028 0.169 -4.329 1.00 0.00 C HETATM 17 CD1 IIL A 2 -3.964 -1.357 -4.390 1.00 0.00 C HETATM 0 HG23 IIL A 2 -1.594 1.219 -4.963 1.00 0.00 H new HETATM 0 HG22 IIL A 2 -0.815 0.978 -3.381 1.00 0.00 H new HETATM 0 HG21 IIL A 2 -1.369 -0.426 -4.324 1.00 0.00 H new HETATM 0 HG13 IIL A 2 -5.013 0.489 -3.989 1.00 0.00 H new HETATM 0 HG12 IIL A 2 -3.882 0.590 -5.324 1.00 0.00 H new HETATM 0 HD13 IIL A 2 -2.983 -1.666 -4.750 1.00 0.00 H new HETATM 0 HD12 IIL A 2 -4.131 -1.768 -3.394 1.00 0.00 H new HETATM 0 HD11 IIL A 2 -4.733 -1.727 -5.069 1.00 0.00 H new HETATM 0 HB IIL A 2 -2.940 0.078 -2.473 1.00 0.00 H new HETATM 0 HA IIL A 2 -2.484 2.509 -2.323 1.00 0.00 H new ATOM 29 N VAL A 3 -4.352 3.019 -4.980 1.00 0.00 N ATOM 30 CA VAL A 3 -4.421 3.829 -6.228 1.00 0.00 C ATOM 31 C VAL A 3 -4.428 5.319 -5.876 1.00 0.00 C ATOM 32 O VAL A 3 -3.719 6.108 -6.467 1.00 0.00 O ATOM 33 CB VAL A 3 -5.700 3.477 -6.990 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.656 4.103 -8.382 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.811 1.955 -7.120 1.00 0.00 C ATOM 0 H VAL A 3 -5.205 2.512 -4.744 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.553 3.611 -6.851 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.563 3.862 -6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.568 3.851 -8.923 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.575 5.186 -8.291 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.793 3.719 -8.926 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.722 1.702 -7.663 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.947 1.572 -7.663 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.844 1.506 -6.127 1.00 0.00 H new ATOM 45 N GLU A 4 -5.226 5.712 -4.920 1.00 0.00 N ATOM 46 CA GLU A 4 -5.275 7.153 -4.538 1.00 0.00 C ATOM 47 C GLU A 4 -3.994 7.533 -3.792 1.00 0.00 C ATOM 48 O GLU A 4 -3.789 8.676 -3.434 1.00 0.00 O ATOM 49 CB GLU A 4 -6.482 7.399 -3.630 1.00 0.00 C ATOM 50 CG GLU A 4 -7.745 7.523 -4.483 1.00 0.00 C ATOM 51 CD GLU A 4 -8.610 8.666 -3.948 1.00 0.00 C ATOM 52 OE1 GLU A 4 -8.412 9.049 -2.807 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.454 9.140 -4.690 1.00 0.00 O ATOM 0 H GLU A 4 -5.845 5.100 -4.388 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.364 7.761 -5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.589 6.579 -2.920 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.333 8.308 -3.047 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.478 7.711 -5.523 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.305 6.588 -4.462 1.00 0.00 H new ATOM 60 N GLN A 5 -3.133 6.584 -3.549 1.00 0.00 N ATOM 61 CA GLN A 5 -1.872 6.893 -2.820 1.00 0.00 C ATOM 62 C GLN A 5 -0.699 6.918 -3.804 1.00 0.00 C ATOM 63 O GLN A 5 0.042 7.879 -3.878 1.00 0.00 O ATOM 64 CB GLN A 5 -1.631 5.821 -1.755 1.00 0.00 C ATOM 65 CG GLN A 5 -0.249 6.017 -1.132 1.00 0.00 C ATOM 66 CD GLN A 5 -0.268 7.246 -0.221 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.247 7.504 0.451 1.00 0.00 O ATOM 68 NE2 GLN A 5 0.780 8.021 -0.171 1.00 0.00 N ATOM 0 H GLN A 5 -3.248 5.608 -3.824 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.956 7.869 -2.342 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.400 5.880 -0.985 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.702 4.829 -2.201 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.033 5.132 -0.561 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.499 6.143 -1.914 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.602 7.804 -0.735 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.778 8.844 0.432 1.00 0.00 H new ATOM 77 N CYS A 6 -0.520 5.873 -4.563 1.00 0.00 N ATOM 78 CA CYS A 6 0.606 5.852 -5.537 1.00 0.00 C ATOM 79 C CYS A 6 0.243 6.709 -6.750 1.00 0.00 C ATOM 80 O CYS A 6 1.073 6.993 -7.590 1.00 0.00 O ATOM 81 CB CYS A 6 0.881 4.416 -5.984 1.00 0.00 C ATOM 82 SG CYS A 6 1.093 3.362 -4.529 1.00 0.00 S ATOM 0 H CYS A 6 -1.102 5.036 -4.551 1.00 0.00 H new ATOM 0 HA CYS A 6 1.501 6.253 -5.062 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.056 4.050 -6.595 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.776 4.382 -6.605 1.00 0.00 H new ATOM 87 N CYS A 7 -0.991 7.129 -6.845 1.00 0.00 N ATOM 88 CA CYS A 7 -1.400 7.978 -8.000 1.00 0.00 C ATOM 89 C CYS A 7 -1.568 9.423 -7.525 1.00 0.00 C ATOM 90 O CYS A 7 -1.756 10.328 -8.314 1.00 0.00 O ATOM 91 CB CYS A 7 -2.715 7.458 -8.590 1.00 0.00 C ATOM 92 SG CYS A 7 -3.069 8.318 -10.142 1.00 0.00 S ATOM 0 H CYS A 7 -1.731 6.921 -6.174 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.633 7.939 -8.774 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.647 6.384 -8.765 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.529 7.614 -7.882 1.00 0.00 H new ATOM 97 N THR A 8 -1.476 9.649 -6.243 1.00 0.00 N ATOM 98 CA THR A 8 -1.601 11.037 -5.719 1.00 0.00 C ATOM 99 C THR A 8 -0.193 11.614 -5.564 1.00 0.00 C ATOM 100 O THR A 8 0.016 12.810 -5.607 1.00 0.00 O ATOM 101 CB THR A 8 -2.306 11.015 -4.359 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.375 12.335 -3.839 1.00 0.00 O ATOM 103 CG2 THR A 8 -1.528 10.124 -3.393 1.00 0.00 C ATOM 0 H THR A 8 -1.319 8.931 -5.536 1.00 0.00 H new ATOM 0 HA THR A 8 -2.187 11.650 -6.404 1.00 0.00 H new ATOM 0 HB THR A 8 -3.315 10.620 -4.480 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.827 12.321 -2.970 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.031 10.110 -2.426 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.479 9.111 -3.792 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.518 10.515 -3.271 1.00 0.00 H new ATOM 111 N SER A 9 0.776 10.756 -5.395 1.00 0.00 N ATOM 112 CA SER A 9 2.183 11.217 -5.248 1.00 0.00 C ATOM 113 C SER A 9 3.111 10.102 -5.731 1.00 0.00 C ATOM 114 O SER A 9 2.679 9.161 -6.365 1.00 0.00 O ATOM 115 CB SER A 9 2.466 11.529 -3.777 1.00 0.00 C ATOM 116 OG SER A 9 1.325 12.154 -3.204 1.00 0.00 O ATOM 0 H SER A 9 0.650 9.745 -5.352 1.00 0.00 H new ATOM 0 HA SER A 9 2.349 12.118 -5.838 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.703 10.612 -3.237 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.334 12.182 -3.692 1.00 0.00 H new ATOM 0 HG SER A 9 1.501 12.355 -2.261 1.00 0.00 H new ATOM 122 N ILE A 10 4.380 10.184 -5.441 1.00 0.00 N ATOM 123 CA ILE A 10 5.302 9.106 -5.897 1.00 0.00 C ATOM 124 C ILE A 10 5.160 7.904 -4.963 1.00 0.00 C ATOM 125 O ILE A 10 5.100 8.046 -3.758 1.00 0.00 O ATOM 126 CB ILE A 10 6.745 9.612 -5.876 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.935 10.661 -6.978 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.701 8.439 -6.114 1.00 0.00 C ATOM 129 CD1 ILE A 10 6.996 9.973 -8.343 1.00 0.00 C ATOM 0 H ILE A 10 4.815 10.941 -4.914 1.00 0.00 H new ATOM 0 HA ILE A 10 5.048 8.813 -6.916 1.00 0.00 H new ATOM 0 HB ILE A 10 6.959 10.062 -4.907 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.113 11.376 -6.957 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.852 11.224 -6.803 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.730 8.799 -6.099 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.566 7.695 -5.329 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.489 7.987 -7.083 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.131 10.723 -9.123 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.833 9.275 -8.362 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.067 9.430 -8.519 1.00 0.00 H new ATOM 141 N CYS A 11 5.081 6.724 -5.511 1.00 0.00 N ATOM 142 CA CYS A 11 4.917 5.516 -4.655 1.00 0.00 C ATOM 143 C CYS A 11 6.165 4.639 -4.734 1.00 0.00 C ATOM 144 O CYS A 11 7.168 5.011 -5.310 1.00 0.00 O ATOM 145 CB CYS A 11 3.711 4.721 -5.153 1.00 0.00 C ATOM 146 SG CYS A 11 2.863 3.950 -3.754 1.00 0.00 S ATOM 0 H CYS A 11 5.123 6.544 -6.514 1.00 0.00 H new ATOM 0 HA CYS A 11 4.767 5.824 -3.620 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.026 5.379 -5.687 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.035 3.957 -5.860 1.00 0.00 H new ATOM 151 N SER A 12 6.105 3.470 -4.155 1.00 0.00 N ATOM 152 CA SER A 12 7.277 2.555 -4.188 1.00 0.00 C ATOM 153 C SER A 12 6.783 1.107 -4.253 1.00 0.00 C ATOM 154 O SER A 12 5.723 0.779 -3.756 1.00 0.00 O ATOM 155 CB SER A 12 8.115 2.753 -2.924 1.00 0.00 C ATOM 156 OG SER A 12 7.315 3.370 -1.924 1.00 0.00 O ATOM 0 H SER A 12 5.290 3.110 -3.659 1.00 0.00 H new ATOM 0 HA SER A 12 7.888 2.773 -5.064 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.488 1.793 -2.567 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.985 3.372 -3.143 1.00 0.00 H new ATOM 0 HG SER A 12 7.848 3.497 -1.111 1.00 0.00 H new ATOM 162 N LEU A 13 7.542 0.239 -4.861 1.00 0.00 N ATOM 163 CA LEU A 13 7.112 -1.183 -4.956 1.00 0.00 C ATOM 164 C LEU A 13 7.066 -1.791 -3.552 1.00 0.00 C ATOM 165 O LEU A 13 6.529 -2.862 -3.345 1.00 0.00 O ATOM 166 CB LEU A 13 8.117 -1.956 -5.812 1.00 0.00 C ATOM 167 CG LEU A 13 9.480 -1.957 -5.119 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.946 -3.398 -4.910 1.00 0.00 C ATOM 169 CD2 LEU A 13 10.496 -1.214 -5.991 1.00 0.00 C ATOM 0 H LEU A 13 8.440 0.452 -5.295 1.00 0.00 H new ATOM 0 HA LEU A 13 6.123 -1.240 -5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.772 -2.979 -5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.199 -1.499 -6.798 1.00 0.00 H new ATOM 0 HG LEU A 13 9.396 -1.459 -4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.918 -3.398 -4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.223 -3.928 -4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.030 -3.897 -5.875 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.468 -1.214 -5.498 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.579 -1.712 -6.957 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.165 -0.186 -6.140 1.00 0.00 H new ATOM 181 N TYR A 14 7.619 -1.112 -2.581 1.00 0.00 N ATOM 182 CA TYR A 14 7.596 -1.650 -1.195 1.00 0.00 C ATOM 183 C TYR A 14 6.156 -1.660 -0.704 1.00 0.00 C ATOM 184 O TYR A 14 5.688 -2.614 -0.114 1.00 0.00 O ATOM 185 CB TYR A 14 8.447 -0.764 -0.284 1.00 0.00 C ATOM 186 CG TYR A 14 9.787 -1.428 -0.042 1.00 0.00 C ATOM 187 CD1 TYR A 14 10.536 -1.913 -1.125 1.00 0.00 C ATOM 188 CD2 TYR A 14 10.283 -1.561 1.264 1.00 0.00 C ATOM 189 CE1 TYR A 14 11.776 -2.527 -0.902 1.00 0.00 C ATOM 190 CE2 TYR A 14 11.522 -2.175 1.484 1.00 0.00 C ATOM 191 CZ TYR A 14 12.268 -2.657 0.402 1.00 0.00 C ATOM 192 OH TYR A 14 13.489 -3.263 0.621 1.00 0.00 O ATOM 0 H TYR A 14 8.084 -0.211 -2.691 1.00 0.00 H new ATOM 0 HA TYR A 14 8.001 -2.662 -1.180 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.591 0.214 -0.742 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.934 -0.600 0.664 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.157 -1.813 -2.131 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.709 -1.190 2.100 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.352 -2.900 -1.736 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.903 -2.277 2.490 1.00 0.00 H new ATOM 0 HH TYR A 14 13.683 -3.271 1.582 1.00 0.00 H new ATOM 202 N GLN A 15 5.446 -0.604 -0.967 1.00 0.00 N ATOM 203 CA GLN A 15 4.024 -0.538 -0.544 1.00 0.00 C ATOM 204 C GLN A 15 3.196 -1.385 -1.508 1.00 0.00 C ATOM 205 O GLN A 15 2.088 -1.787 -1.213 1.00 0.00 O ATOM 206 CB GLN A 15 3.541 0.913 -0.589 1.00 0.00 C ATOM 207 CG GLN A 15 4.158 1.695 0.571 1.00 0.00 C ATOM 208 CD GLN A 15 3.235 2.853 0.953 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.406 2.721 1.831 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.344 3.992 0.324 1.00 0.00 N ATOM 0 H GLN A 15 5.791 0.220 -1.459 1.00 0.00 H new ATOM 0 HA GLN A 15 3.917 -0.914 0.473 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.820 1.370 -1.538 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.453 0.947 -0.526 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.308 1.038 1.428 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.139 2.076 0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.040 4.103 -0.413 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.733 4.771 0.570 1.00 0.00 H new ATOM 219 N LEU A 16 3.737 -1.659 -2.664 1.00 0.00 N ATOM 220 CA LEU A 16 3.011 -2.479 -3.665 1.00 0.00 C ATOM 221 C LEU A 16 2.993 -3.936 -3.205 1.00 0.00 C ATOM 222 O LEU A 16 2.191 -4.733 -3.652 1.00 0.00 O ATOM 223 CB LEU A 16 3.746 -2.369 -5.001 1.00 0.00 C ATOM 224 CG LEU A 16 3.289 -1.110 -5.741 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.912 -1.083 -7.138 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.767 -1.115 -5.867 1.00 0.00 C ATOM 0 H LEU A 16 4.662 -1.344 -2.957 1.00 0.00 H new ATOM 0 HA LEU A 16 1.985 -2.127 -3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.822 -2.333 -4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.548 -3.252 -5.609 1.00 0.00 H new ATOM 0 HG LEU A 16 3.606 -0.229 -5.183 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.586 -0.186 -7.664 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.999 -1.078 -7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.596 -1.965 -7.694 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.443 -0.218 -6.394 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.451 -1.997 -6.424 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.320 -1.134 -4.873 1.00 0.00 H new ATOM 238 N GLU A 17 3.873 -4.289 -2.310 1.00 0.00 N ATOM 239 CA GLU A 17 3.914 -5.694 -1.813 1.00 0.00 C ATOM 240 C GLU A 17 2.766 -5.918 -0.830 1.00 0.00 C ATOM 241 O GLU A 17 2.249 -7.009 -0.695 1.00 0.00 O ATOM 242 CB GLU A 17 5.249 -5.947 -1.109 1.00 0.00 C ATOM 243 CG GLU A 17 6.052 -6.988 -1.892 1.00 0.00 C ATOM 244 CD GLU A 17 5.542 -8.388 -1.549 1.00 0.00 C ATOM 245 OE1 GLU A 17 4.594 -8.481 -0.787 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.108 -9.344 -2.052 1.00 0.00 O ATOM 0 H GLU A 17 4.567 -3.664 -1.900 1.00 0.00 H new ATOM 0 HA GLU A 17 3.812 -6.381 -2.653 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.814 -5.018 -1.034 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.075 -6.297 -0.092 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.957 -6.807 -2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.111 -6.905 -1.648 1.00 0.00 H new ATOM 253 N ASN A 18 2.362 -4.887 -0.147 1.00 0.00 N ATOM 254 CA ASN A 18 1.247 -5.023 0.828 1.00 0.00 C ATOM 255 C ASN A 18 -0.080 -5.151 0.076 1.00 0.00 C ATOM 256 O ASN A 18 -1.130 -5.287 0.672 1.00 0.00 O ATOM 257 CB ASN A 18 1.210 -3.786 1.727 1.00 0.00 C ATOM 258 CG ASN A 18 1.878 -4.107 3.065 1.00 0.00 C ATOM 259 OD1 ASN A 18 1.325 -3.840 4.114 1.00 0.00 O ATOM 260 ND2 ASN A 18 3.053 -4.674 3.075 1.00 0.00 N ATOM 0 H ASN A 18 2.758 -3.950 -0.222 1.00 0.00 H new ATOM 0 HA ASN A 18 1.401 -5.913 1.438 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.723 -2.956 1.242 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.179 -3.472 1.889 1.00 0.00 H new ATOM 0 HD21 ASN A 18 3.506 -4.893 3.962 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.518 -4.899 2.196 1.00 0.00 H new ATOM 267 N TYR A 19 -0.043 -5.109 -1.229 1.00 0.00 N ATOM 268 CA TYR A 19 -1.300 -5.229 -2.014 1.00 0.00 C ATOM 269 C TYR A 19 -1.228 -6.478 -2.891 1.00 0.00 C ATOM 270 O TYR A 19 -1.778 -6.524 -3.973 1.00 0.00 O ATOM 271 CB TYR A 19 -1.463 -3.990 -2.893 1.00 0.00 C ATOM 272 CG TYR A 19 -1.630 -2.774 -2.014 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.803 -2.606 -1.264 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.611 -1.815 -1.945 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.955 -1.479 -0.446 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.764 -0.687 -1.126 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.936 -0.520 -0.376 1.00 0.00 C ATOM 278 OH TYR A 19 -2.086 0.590 0.429 1.00 0.00 O ATOM 0 H TYR A 19 0.806 -4.997 -1.784 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.153 -5.309 -1.340 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.592 -3.870 -3.538 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.329 -4.104 -3.545 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.589 -3.345 -1.317 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.292 -1.944 -2.523 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.859 -1.349 0.131 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.021 0.053 -1.073 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.287 1.153 0.362 1.00 0.00 H new ATOM 288 N CYS A 20 -0.547 -7.493 -2.432 1.00 0.00 N ATOM 289 CA CYS A 20 -0.432 -8.739 -3.236 1.00 0.00 C ATOM 290 C CYS A 20 -1.527 -9.726 -2.822 1.00 0.00 C ATOM 291 O CYS A 20 -2.639 -9.671 -3.306 1.00 0.00 O ATOM 292 CB CYS A 20 0.945 -9.365 -3.006 1.00 0.00 C ATOM 293 SG CYS A 20 2.220 -8.273 -3.679 1.00 0.00 S ATOM 0 H CYS A 20 -0.065 -7.511 -1.533 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.550 -8.501 -4.293 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.111 -9.523 -1.941 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.997 -10.342 -3.486 1.00 0.00 H new ATOM 298 N ASN A 21 -1.220 -10.628 -1.934 1.00 0.00 N ATOM 299 CA ASN A 21 -2.241 -11.619 -1.493 1.00 0.00 C ATOM 300 C ASN A 21 -1.987 -11.999 -0.032 1.00 0.00 C ATOM 301 O ASN A 21 -0.840 -12.238 0.306 1.00 0.00 O ATOM 302 CB ASN A 21 -2.144 -12.870 -2.371 1.00 0.00 C ATOM 303 CG ASN A 21 -2.955 -12.658 -3.651 1.00 0.00 C ATOM 304 OD1 ASN A 21 -2.542 -11.927 -4.529 1.00 0.00 O ATOM 305 ND2 ASN A 21 -4.098 -13.269 -3.794 1.00 0.00 N ATOM 306 OXT ASN A 21 -2.945 -12.045 0.722 1.00 0.00 O ATOM 0 H ASN A 21 -0.305 -10.723 -1.493 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.236 -11.184 -1.586 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.102 -13.075 -2.617 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.520 -13.738 -1.829 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.646 -13.133 -4.644 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.444 -13.883 -3.056 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.398 3.794 -2.969 1.00 0.00 N ATOM 315 CA PHE B 1 13.641 2.603 -3.832 1.00 0.00 C ATOM 316 C PHE B 1 13.218 2.923 -5.268 1.00 0.00 C ATOM 317 O PHE B 1 13.924 2.632 -6.212 1.00 0.00 O ATOM 318 CB PHE B 1 12.824 1.418 -3.310 1.00 0.00 C ATOM 319 CG PHE B 1 13.377 0.133 -3.889 1.00 0.00 C ATOM 320 CD1 PHE B 1 13.332 -0.090 -5.273 1.00 0.00 C ATOM 321 CD2 PHE B 1 13.935 -0.838 -3.043 1.00 0.00 C ATOM 322 CE1 PHE B 1 13.843 -1.278 -5.809 1.00 0.00 C ATOM 323 CE2 PHE B 1 14.445 -2.027 -3.582 1.00 0.00 C ATOM 324 CZ PHE B 1 14.400 -2.247 -4.964 1.00 0.00 C ATOM 0 H1 PHE B 1 13.731 3.597 -2.004 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.913 4.612 -3.353 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.380 4.005 -2.947 1.00 0.00 H new ATOM 0 HA PHE B 1 14.701 2.348 -3.812 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.864 1.386 -2.221 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.776 1.534 -3.588 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.903 0.656 -5.926 1.00 0.00 H new ATOM 0 HD2 PHE B 1 13.971 -0.669 -1.977 1.00 0.00 H new ATOM 0 HE1 PHE B 1 13.808 -1.448 -6.875 1.00 0.00 H new ATOM 0 HE2 PHE B 1 14.873 -2.774 -2.931 1.00 0.00 H new ATOM 0 HZ PHE B 1 14.794 -3.163 -5.378 1.00 0.00 H new ATOM 336 N VAL B 2 12.071 3.522 -5.440 1.00 0.00 N ATOM 337 CA VAL B 2 11.607 3.862 -6.814 1.00 0.00 C ATOM 338 C VAL B 2 11.817 5.363 -7.063 1.00 0.00 C ATOM 339 O VAL B 2 12.857 5.902 -6.746 1.00 0.00 O ATOM 340 CB VAL B 2 10.127 3.500 -6.954 1.00 0.00 C ATOM 341 CG1 VAL B 2 9.774 3.343 -8.434 1.00 0.00 C ATOM 342 CG2 VAL B 2 9.855 2.180 -6.230 1.00 0.00 C ATOM 0 H VAL B 2 11.436 3.790 -4.688 1.00 0.00 H new ATOM 0 HA VAL B 2 12.179 3.298 -7.551 1.00 0.00 H new ATOM 0 HB VAL B 2 9.520 4.292 -6.516 1.00 0.00 H new ATOM 0 HG11 VAL B 2 8.719 3.085 -8.531 1.00 0.00 H new ATOM 0 HG12 VAL B 2 9.968 4.280 -8.956 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.383 2.552 -8.871 1.00 0.00 H new ATOM 0 HG21 VAL B 2 8.801 1.921 -6.329 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.465 1.391 -6.670 1.00 0.00 H new ATOM 0 HG23 VAL B 2 10.105 2.286 -5.174 1.00 0.00 H new ATOM 352 N ASN B 3 10.842 6.040 -7.623 1.00 0.00 N ATOM 353 CA ASN B 3 10.988 7.503 -7.890 1.00 0.00 C ATOM 354 C ASN B 3 9.990 7.923 -8.969 1.00 0.00 C ATOM 355 O ASN B 3 9.664 9.086 -9.106 1.00 0.00 O ATOM 356 CB ASN B 3 12.408 7.814 -8.370 1.00 0.00 C ATOM 357 CG ASN B 3 13.227 8.386 -7.209 1.00 0.00 C ATOM 358 OD1 ASN B 3 14.309 7.915 -6.925 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.748 9.387 -6.521 1.00 0.00 N ATOM 0 H ASN B 3 9.948 5.638 -7.907 1.00 0.00 H new ATOM 0 HA ASN B 3 10.794 8.052 -6.969 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.881 6.909 -8.751 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.377 8.528 -9.193 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.283 9.774 -5.744 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.839 9.782 -6.761 1.00 0.00 H new ATOM 366 N GLN B 4 9.502 6.989 -9.740 1.00 0.00 N ATOM 367 CA GLN B 4 8.528 7.337 -10.807 1.00 0.00 C ATOM 368 C GLN B 4 7.114 7.357 -10.222 1.00 0.00 C ATOM 369 O GLN B 4 6.794 6.615 -9.315 1.00 0.00 O ATOM 370 CB GLN B 4 8.605 6.292 -11.918 1.00 0.00 C ATOM 371 CG GLN B 4 9.485 6.816 -13.054 1.00 0.00 C ATOM 372 CD GLN B 4 9.458 5.827 -14.220 1.00 0.00 C ATOM 373 OE1 GLN B 4 8.440 5.223 -14.497 1.00 0.00 O ATOM 374 NE2 GLN B 4 10.542 5.635 -14.919 1.00 0.00 N ATOM 0 H GLN B 4 9.738 5.999 -9.675 1.00 0.00 H new ATOM 0 HA GLN B 4 8.765 8.321 -11.212 1.00 0.00 H new ATOM 0 HB2 GLN B 4 9.014 5.360 -11.527 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.606 6.069 -12.292 1.00 0.00 H new ATOM 0 HG2 GLN B 4 9.129 7.792 -13.383 1.00 0.00 H new ATOM 0 HG3 GLN B 4 10.508 6.952 -12.703 1.00 0.00 H new ATOM 0 HE21 GLN B 4 11.396 6.142 -14.686 1.00 0.00 H new ATOM 0 HE22 GLN B 4 10.536 4.978 -15.699 1.00 0.00 H new ATOM 383 N HIS B 5 6.266 8.203 -10.738 1.00 0.00 N ATOM 384 CA HIS B 5 4.872 8.279 -10.218 1.00 0.00 C ATOM 385 C HIS B 5 4.037 7.145 -10.822 1.00 0.00 C ATOM 386 O HIS B 5 4.131 6.851 -11.997 1.00 0.00 O ATOM 387 CB HIS B 5 4.272 9.632 -10.611 1.00 0.00 C ATOM 388 CG HIS B 5 2.941 9.824 -9.936 1.00 0.00 C ATOM 389 ND1 HIS B 5 2.539 9.026 -8.886 1.00 0.00 N ATOM 390 CD2 HIS B 5 1.942 10.729 -10.168 1.00 0.00 C ATOM 391 CE1 HIS B 5 1.326 9.464 -8.516 1.00 0.00 C ATOM 392 NE2 HIS B 5 0.921 10.503 -9.272 1.00 0.00 N ATOM 0 H HIS B 5 6.479 8.847 -11.500 1.00 0.00 H new ATOM 0 HA HIS B 5 4.873 8.179 -9.133 1.00 0.00 H new ATOM 0 HB2 HIS B 5 4.951 10.436 -10.327 1.00 0.00 H new ATOM 0 HB3 HIS B 5 4.151 9.684 -11.693 1.00 0.00 H new ATOM 0 HD2 HIS B 5 1.952 11.495 -10.929 1.00 0.00 H new ATOM 0 HE1 HIS B 5 0.746 9.037 -7.712 1.00 0.00 H new ATOM 0 HE2 HIS B 5 0.042 11.015 -9.197 1.00 0.00 H new ATOM 400 N LEU B 6 3.221 6.503 -10.026 1.00 0.00 N ATOM 401 CA LEU B 6 2.383 5.387 -10.555 1.00 0.00 C ATOM 402 C LEU B 6 0.921 5.819 -10.592 1.00 0.00 C ATOM 403 O LEU B 6 0.512 6.697 -9.868 1.00 0.00 O ATOM 404 CB LEU B 6 2.516 4.166 -9.639 1.00 0.00 C ATOM 405 CG LEU B 6 3.819 3.428 -9.947 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.949 4.443 -10.096 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.146 2.467 -8.802 1.00 0.00 C ATOM 0 H LEU B 6 3.099 6.704 -9.033 1.00 0.00 H new ATOM 0 HA LEU B 6 2.719 5.133 -11.560 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.503 4.480 -8.595 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.666 3.498 -9.782 1.00 0.00 H new ATOM 0 HG LEU B 6 3.708 2.863 -10.873 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.880 3.921 -10.316 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.717 5.129 -10.910 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.058 5.005 -9.168 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.075 1.941 -9.022 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.259 3.030 -7.875 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.338 1.744 -8.691 1.00 0.00 H new ATOM 419 N CYS B 7 0.128 5.198 -11.419 1.00 0.00 N ATOM 420 CA CYS B 7 -1.312 5.565 -11.492 1.00 0.00 C ATOM 421 C CYS B 7 -2.082 4.421 -12.176 1.00 0.00 C ATOM 422 O CYS B 7 -2.241 3.359 -11.609 1.00 0.00 O ATOM 423 CB CYS B 7 -1.471 6.876 -12.271 1.00 0.00 C ATOM 424 SG CYS B 7 -1.314 8.280 -11.140 1.00 0.00 S ATOM 0 H CYS B 7 0.417 4.450 -12.049 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.715 5.714 -10.491 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.714 6.940 -13.053 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.442 6.901 -12.765 1.00 0.00 H new ATOM 429 N GLY B 8 -2.557 4.613 -13.382 1.00 0.00 N ATOM 430 CA GLY B 8 -3.306 3.520 -14.065 1.00 0.00 C ATOM 431 C GLY B 8 -2.384 2.320 -14.297 1.00 0.00 C ATOM 432 O GLY B 8 -2.052 1.593 -13.382 1.00 0.00 O ATOM 0 H GLY B 8 -2.458 5.475 -13.918 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.161 3.220 -13.459 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.699 3.877 -15.017 1.00 0.00 H new ATOM 436 N SER B 9 -1.980 2.105 -15.518 1.00 0.00 N ATOM 437 CA SER B 9 -1.092 0.946 -15.821 1.00 0.00 C ATOM 438 C SER B 9 0.179 1.018 -14.969 1.00 0.00 C ATOM 439 O SER B 9 0.603 0.036 -14.395 1.00 0.00 O ATOM 440 CB SER B 9 -0.712 0.971 -17.303 1.00 0.00 C ATOM 441 OG SER B 9 0.113 2.099 -17.559 1.00 0.00 O ATOM 0 H SER B 9 -2.227 2.683 -16.322 1.00 0.00 H new ATOM 0 HA SER B 9 -1.622 0.022 -15.591 1.00 0.00 H new ATOM 0 HB2 SER B 9 -0.187 0.054 -17.571 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.610 1.016 -17.919 1.00 0.00 H new ATOM 0 HG SER B 9 0.359 2.116 -18.507 1.00 0.00 H new ATOM 447 N ASP B 10 0.798 2.163 -14.885 1.00 0.00 N ATOM 448 CA ASP B 10 2.046 2.268 -14.073 1.00 0.00 C ATOM 449 C ASP B 10 1.833 1.607 -12.709 1.00 0.00 C ATOM 450 O ASP B 10 2.663 0.851 -12.244 1.00 0.00 O ATOM 451 CB ASP B 10 2.426 3.740 -13.874 1.00 0.00 C ATOM 452 CG ASP B 10 2.147 4.526 -15.157 1.00 0.00 C ATOM 453 OD1 ASP B 10 0.985 4.681 -15.494 1.00 0.00 O ATOM 454 OD2 ASP B 10 3.101 4.960 -15.781 1.00 0.00 O ATOM 0 H ASP B 10 0.498 3.025 -15.339 1.00 0.00 H new ATOM 0 HA ASP B 10 2.853 1.760 -14.602 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.857 4.163 -13.046 1.00 0.00 H new ATOM 0 HB3 ASP B 10 3.480 3.820 -13.610 1.00 0.00 H new ATOM 459 N LEU B 11 0.735 1.885 -12.057 1.00 0.00 N ATOM 460 CA LEU B 11 0.501 1.267 -10.721 1.00 0.00 C ATOM 461 C LEU B 11 0.003 -0.168 -10.895 1.00 0.00 C ATOM 462 O LEU B 11 0.254 -1.025 -10.071 1.00 0.00 O ATOM 463 CB LEU B 11 -0.546 2.089 -9.949 1.00 0.00 C ATOM 464 CG LEU B 11 -0.301 2.079 -8.419 1.00 0.00 C ATOM 465 CD1 LEU B 11 -1.487 1.414 -7.723 1.00 0.00 C ATOM 466 CD2 LEU B 11 0.975 1.317 -8.036 1.00 0.00 C ATOM 0 H LEU B 11 -0.003 2.507 -12.388 1.00 0.00 H new ATOM 0 HA LEU B 11 1.436 1.256 -10.161 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.532 3.118 -10.309 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.540 1.692 -10.157 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.185 3.116 -8.103 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.319 1.405 -6.646 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.397 1.971 -7.943 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.593 0.390 -8.082 1.00 0.00 H new ATOM 0 HD21 LEU B 11 1.101 1.339 -6.954 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.895 0.283 -8.371 1.00 0.00 H new ATOM 0 HD23 LEU B 11 1.836 1.787 -8.511 1.00 0.00 H new ATOM 478 N VAL B 12 -0.697 -0.445 -11.960 1.00 0.00 N ATOM 479 CA VAL B 12 -1.199 -1.829 -12.174 1.00 0.00 C ATOM 480 C VAL B 12 -0.038 -2.698 -12.661 1.00 0.00 C ATOM 481 O VAL B 12 0.256 -3.732 -12.094 1.00 0.00 O ATOM 482 CB VAL B 12 -2.330 -1.800 -13.209 1.00 0.00 C ATOM 483 CG1 VAL B 12 -2.462 -3.166 -13.892 1.00 0.00 C ATOM 484 CG2 VAL B 12 -3.646 -1.461 -12.504 1.00 0.00 C ATOM 0 H VAL B 12 -0.942 0.225 -12.689 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.591 -2.245 -11.246 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.102 -1.047 -13.963 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.269 -3.130 -14.624 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.527 -3.414 -14.394 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.684 -3.927 -13.144 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.455 -1.439 -13.234 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.860 -2.218 -11.749 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.562 -0.485 -12.026 1.00 0.00 H new ATOM 494 N GLU B 13 0.636 -2.279 -13.695 1.00 0.00 N ATOM 495 CA GLU B 13 1.786 -3.074 -14.198 1.00 0.00 C ATOM 496 C GLU B 13 2.724 -3.365 -13.026 1.00 0.00 C ATOM 497 O GLU B 13 3.361 -4.397 -12.965 1.00 0.00 O ATOM 498 CB GLU B 13 2.532 -2.276 -15.269 1.00 0.00 C ATOM 499 CG GLU B 13 1.732 -2.297 -16.573 1.00 0.00 C ATOM 500 CD GLU B 13 2.661 -1.985 -17.747 1.00 0.00 C ATOM 501 OE1 GLU B 13 3.716 -2.594 -17.822 1.00 0.00 O ATOM 502 OE2 GLU B 13 2.302 -1.140 -18.552 1.00 0.00 O ATOM 0 H GLU B 13 0.439 -1.422 -14.212 1.00 0.00 H new ATOM 0 HA GLU B 13 1.433 -4.008 -14.635 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.678 -1.248 -14.936 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.522 -2.702 -15.431 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.269 -3.274 -16.712 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.926 -1.565 -16.529 1.00 0.00 H new ATOM 509 N ALA B 14 2.803 -2.460 -12.085 1.00 0.00 N ATOM 510 CA ALA B 14 3.688 -2.686 -10.909 1.00 0.00 C ATOM 511 C ALA B 14 3.173 -3.893 -10.124 1.00 0.00 C ATOM 512 O ALA B 14 3.860 -4.883 -9.970 1.00 0.00 O ATOM 513 CB ALA B 14 3.674 -1.448 -10.010 1.00 0.00 C ATOM 0 H ALA B 14 2.293 -1.577 -12.082 1.00 0.00 H new ATOM 0 HA ALA B 14 4.708 -2.872 -11.246 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.322 -1.616 -9.150 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.033 -0.586 -10.572 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.657 -1.259 -9.666 1.00 0.00 H new ATOM 519 N LEU B 15 1.965 -3.826 -9.633 1.00 0.00 N ATOM 520 CA LEU B 15 1.410 -4.976 -8.869 1.00 0.00 C ATOM 521 C LEU B 15 1.634 -6.261 -9.666 1.00 0.00 C ATOM 522 O LEU B 15 2.019 -7.281 -9.130 1.00 0.00 O ATOM 523 CB LEU B 15 -0.090 -4.768 -8.660 1.00 0.00 C ATOM 524 CG LEU B 15 -0.316 -3.700 -7.588 1.00 0.00 C ATOM 525 CD1 LEU B 15 -1.724 -3.121 -7.735 1.00 0.00 C ATOM 526 CD2 LEU B 15 -0.169 -4.330 -6.202 1.00 0.00 C ATOM 0 H LEU B 15 1.341 -3.025 -9.729 1.00 0.00 H new ATOM 0 HA LEU B 15 1.907 -5.050 -7.902 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.559 -4.463 -9.596 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.559 -5.705 -8.359 1.00 0.00 H new ATOM 0 HG LEU B 15 0.420 -2.905 -7.707 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.886 -2.360 -6.972 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.832 -2.673 -8.723 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.459 -3.917 -7.616 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.330 -3.570 -5.438 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.905 -5.125 -6.084 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.833 -4.745 -6.095 1.00 0.00 H new ATOM 538 N TYR B 16 1.390 -6.216 -10.946 1.00 0.00 N ATOM 539 CA TYR B 16 1.581 -7.429 -11.790 1.00 0.00 C ATOM 540 C TYR B 16 3.032 -7.908 -11.689 1.00 0.00 C ATOM 541 O TYR B 16 3.295 -9.083 -11.526 1.00 0.00 O ATOM 542 CB TYR B 16 1.260 -7.090 -13.248 1.00 0.00 C ATOM 543 CG TYR B 16 0.063 -7.899 -13.702 1.00 0.00 C ATOM 544 CD1 TYR B 16 0.097 -9.301 -13.638 1.00 0.00 C ATOM 545 CD2 TYR B 16 -1.081 -7.251 -14.190 1.00 0.00 C ATOM 546 CE1 TYR B 16 -1.009 -10.051 -14.060 1.00 0.00 C ATOM 547 CE2 TYR B 16 -2.186 -8.003 -14.613 1.00 0.00 C ATOM 548 CZ TYR B 16 -2.150 -9.400 -14.548 1.00 0.00 C ATOM 549 OH TYR B 16 -3.239 -10.139 -14.964 1.00 0.00 O ATOM 0 H TYR B 16 1.065 -5.388 -11.446 1.00 0.00 H new ATOM 0 HA TYR B 16 0.915 -8.218 -11.441 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.051 -6.025 -13.348 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.120 -7.307 -13.881 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.977 -9.802 -13.263 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -1.111 -6.173 -14.240 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -0.982 -11.129 -14.009 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.066 -7.503 -14.990 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.946 -9.535 -15.272 1.00 0.00 H new ATOM 559 N LEU B 17 3.976 -7.012 -11.789 1.00 0.00 N ATOM 560 CA LEU B 17 5.405 -7.426 -11.703 1.00 0.00 C ATOM 561 C LEU B 17 5.826 -7.522 -10.237 1.00 0.00 C ATOM 562 O LEU B 17 6.785 -8.187 -9.897 1.00 0.00 O ATOM 563 CB LEU B 17 6.279 -6.394 -12.417 1.00 0.00 C ATOM 564 CG LEU B 17 7.242 -7.111 -13.364 1.00 0.00 C ATOM 565 CD1 LEU B 17 6.769 -6.926 -14.808 1.00 0.00 C ATOM 566 CD2 LEU B 17 8.645 -6.519 -13.209 1.00 0.00 C ATOM 0 H LEU B 17 3.820 -6.013 -11.926 1.00 0.00 H new ATOM 0 HA LEU B 17 5.527 -8.399 -12.178 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.655 -5.697 -12.975 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.838 -5.808 -11.688 1.00 0.00 H new ATOM 0 HG LEU B 17 7.266 -8.173 -13.122 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.455 -7.437 -15.484 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.769 -7.346 -14.920 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.745 -5.863 -15.050 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.332 -7.030 -13.884 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.621 -5.457 -13.452 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.983 -6.648 -12.181 1.00 0.00 H new ATOM 578 N VAL B 18 5.115 -6.866 -9.367 1.00 0.00 N ATOM 579 CA VAL B 18 5.470 -6.920 -7.923 1.00 0.00 C ATOM 580 C VAL B 18 4.944 -8.222 -7.323 1.00 0.00 C ATOM 581 O VAL B 18 5.687 -9.014 -6.780 1.00 0.00 O ATOM 582 CB VAL B 18 4.831 -5.737 -7.198 1.00 0.00 C ATOM 583 CG1 VAL B 18 5.085 -5.864 -5.696 1.00 0.00 C ATOM 584 CG2 VAL B 18 5.444 -4.434 -7.712 1.00 0.00 C ATOM 0 H VAL B 18 4.302 -6.293 -9.593 1.00 0.00 H new ATOM 0 HA VAL B 18 6.553 -6.875 -7.812 1.00 0.00 H new ATOM 0 HB VAL B 18 3.757 -5.731 -7.385 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.630 -5.020 -5.177 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.648 -6.793 -5.330 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.159 -5.869 -5.508 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.989 -3.589 -7.195 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.518 -4.438 -7.524 1.00 0.00 H new ATOM 0 HG23 VAL B 18 5.263 -4.345 -8.783 1.00 0.00 H new ATOM 594 N CYS B 19 3.663 -8.443 -7.412 1.00 0.00 N ATOM 595 CA CYS B 19 3.078 -9.689 -6.845 1.00 0.00 C ATOM 596 C CYS B 19 3.095 -10.795 -7.903 1.00 0.00 C ATOM 597 O CYS B 19 2.102 -11.450 -8.144 1.00 0.00 O ATOM 598 CB CYS B 19 1.636 -9.418 -6.414 1.00 0.00 C ATOM 599 SG CYS B 19 1.560 -7.836 -5.537 1.00 0.00 S ATOM 0 H CYS B 19 2.994 -7.813 -7.854 1.00 0.00 H new ATOM 0 HA CYS B 19 3.665 -10.007 -5.984 1.00 0.00 H new ATOM 0 HB2 CYS B 19 0.982 -9.395 -7.286 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.280 -10.222 -5.769 1.00 0.00 H new ATOM 604 N GLY B 20 4.216 -11.008 -8.535 1.00 0.00 N ATOM 605 CA GLY B 20 4.294 -12.073 -9.575 1.00 0.00 C ATOM 606 C GLY B 20 4.258 -13.448 -8.905 1.00 0.00 C ATOM 607 O GLY B 20 5.232 -14.174 -8.904 1.00 0.00 O ATOM 0 H GLY B 20 5.081 -10.491 -8.377 1.00 0.00 H new ATOM 0 HA2 GLY B 20 3.462 -11.975 -10.273 1.00 0.00 H new ATOM 0 HA3 GLY B 20 5.211 -11.963 -10.154 1.00 0.00 H new ATOM 611 N GLU B 21 3.143 -13.811 -8.334 1.00 0.00 N ATOM 612 CA GLU B 21 3.049 -15.140 -7.664 1.00 0.00 C ATOM 613 C GLU B 21 1.612 -15.366 -7.177 1.00 0.00 C ATOM 614 O GLU B 21 0.740 -15.724 -7.946 1.00 0.00 O ATOM 615 CB GLU B 21 4.014 -15.179 -6.478 1.00 0.00 C ATOM 616 CG GLU B 21 4.070 -13.798 -5.825 1.00 0.00 C ATOM 617 CD GLU B 21 5.433 -13.158 -6.097 1.00 0.00 C ATOM 618 OE1 GLU B 21 6.414 -13.883 -6.117 1.00 0.00 O ATOM 619 OE2 GLU B 21 5.472 -11.952 -6.282 1.00 0.00 O ATOM 0 H GLU B 21 2.294 -13.247 -8.302 1.00 0.00 H new ATOM 0 HA GLU B 21 3.315 -15.927 -8.369 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.686 -15.924 -5.753 1.00 0.00 H new ATOM 0 HB3 GLU B 21 5.008 -15.476 -6.813 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.275 -13.165 -6.219 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.905 -13.885 -4.751 1.00 0.00 H new ATOM 626 N ARG B 22 1.350 -15.157 -5.913 1.00 0.00 N ATOM 627 CA ARG B 22 -0.033 -15.359 -5.401 1.00 0.00 C ATOM 628 C ARG B 22 -1.016 -14.602 -6.294 1.00 0.00 C ATOM 629 O ARG B 22 -2.112 -15.057 -6.556 1.00 0.00 O ATOM 630 CB ARG B 22 -0.128 -14.824 -3.970 1.00 0.00 C ATOM 631 CG ARG B 22 0.983 -15.442 -3.119 1.00 0.00 C ATOM 632 CD ARG B 22 2.039 -14.381 -2.809 1.00 0.00 C ATOM 633 NE ARG B 22 1.790 -13.814 -1.454 1.00 0.00 N ATOM 634 CZ ARG B 22 2.643 -14.030 -0.491 1.00 0.00 C ATOM 635 NH1 ARG B 22 2.879 -15.248 -0.089 1.00 0.00 N ATOM 636 NH2 ARG B 22 3.262 -13.025 0.069 1.00 0.00 N ATOM 0 H ARG B 22 2.033 -14.856 -5.217 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.276 -16.422 -5.408 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.039 -13.738 -3.970 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -1.103 -15.064 -3.545 1.00 0.00 H new ATOM 0 HG2 ARG B 22 0.568 -15.839 -2.192 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.438 -16.279 -3.648 1.00 0.00 H new ATOM 0 HD2 ARG B 22 3.036 -14.820 -2.854 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.006 -13.590 -3.558 1.00 0.00 H new ATOM 0 HE ARG B 22 0.953 -13.257 -1.279 1.00 0.00 H new ATOM 0 HH11 ARG B 22 2.397 -16.032 -0.528 1.00 0.00 H new ATOM 0 HH12 ARG B 22 3.546 -15.416 0.664 1.00 0.00 H new ATOM 0 HH21 ARG B 22 3.078 -12.073 -0.247 1.00 0.00 H new ATOM 0 HH22 ARG B 22 3.929 -13.193 0.822 1.00 0.00 H new ATOM 650 N GLY B 23 -0.630 -13.448 -6.764 1.00 0.00 N ATOM 651 CA GLY B 23 -1.538 -12.658 -7.641 1.00 0.00 C ATOM 652 C GLY B 23 -1.734 -11.263 -7.047 1.00 0.00 C ATOM 653 O GLY B 23 -0.833 -10.696 -6.462 1.00 0.00 O ATOM 0 H GLY B 23 0.276 -13.018 -6.578 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -1.117 -12.582 -8.644 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.499 -13.163 -7.736 1.00 0.00 H new ATOM 657 N PHE B 24 -2.908 -10.712 -7.186 1.00 0.00 N ATOM 658 CA PHE B 24 -3.171 -9.354 -6.624 1.00 0.00 C ATOM 659 C PHE B 24 -4.586 -8.912 -7.015 1.00 0.00 C ATOM 660 O PHE B 24 -5.064 -9.214 -8.090 1.00 0.00 O ATOM 661 CB PHE B 24 -2.116 -8.352 -7.152 1.00 0.00 C ATOM 662 CG PHE B 24 -2.628 -7.597 -8.376 1.00 0.00 C ATOM 663 CD1 PHE B 24 -2.734 -8.247 -9.615 1.00 0.00 C ATOM 664 CD2 PHE B 24 -2.991 -6.241 -8.269 1.00 0.00 C ATOM 665 CE1 PHE B 24 -3.202 -7.550 -10.737 1.00 0.00 C ATOM 666 CE2 PHE B 24 -3.458 -5.549 -9.394 1.00 0.00 C ATOM 667 CZ PHE B 24 -3.561 -6.203 -10.628 1.00 0.00 C ATOM 0 H PHE B 24 -3.699 -11.143 -7.665 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.098 -9.383 -5.537 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.861 -7.642 -6.365 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.201 -8.886 -7.409 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -2.454 -9.286 -9.704 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -2.909 -5.734 -7.319 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -3.286 -8.054 -11.688 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.739 -4.510 -9.309 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.918 -5.667 -11.495 1.00 0.00 H new ATOM 677 N PHE B 25 -5.259 -8.201 -6.152 1.00 0.00 N ATOM 678 CA PHE B 25 -6.638 -7.746 -6.482 1.00 0.00 C ATOM 679 C PHE B 25 -6.697 -6.219 -6.433 1.00 0.00 C ATOM 680 O PHE B 25 -6.759 -5.624 -5.375 1.00 0.00 O ATOM 681 CB PHE B 25 -7.629 -8.333 -5.472 1.00 0.00 C ATOM 682 CG PHE B 25 -7.301 -7.830 -4.087 1.00 0.00 C ATOM 683 CD1 PHE B 25 -6.185 -8.332 -3.404 1.00 0.00 C ATOM 684 CD2 PHE B 25 -8.116 -6.863 -3.482 1.00 0.00 C ATOM 685 CE1 PHE B 25 -5.883 -7.867 -2.117 1.00 0.00 C ATOM 686 CE2 PHE B 25 -7.814 -6.399 -2.195 1.00 0.00 C ATOM 687 CZ PHE B 25 -6.699 -6.900 -1.512 1.00 0.00 C ATOM 0 H PHE B 25 -4.914 -7.916 -5.235 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.902 -8.086 -7.483 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.647 -8.051 -5.740 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.584 -9.422 -5.494 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -5.557 -9.077 -3.870 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.976 -6.476 -4.008 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -5.022 -8.253 -1.591 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.442 -5.654 -1.729 1.00 0.00 H new ATOM 0 HZ PHE B 25 -6.467 -6.542 -0.520 1.00 0.00 H new ATOM 697 N TYR B 26 -6.678 -5.581 -7.571 1.00 0.00 N ATOM 698 CA TYR B 26 -6.733 -4.093 -7.591 1.00 0.00 C ATOM 699 C TYR B 26 -7.846 -3.616 -6.657 1.00 0.00 C ATOM 700 O TYR B 26 -8.812 -4.315 -6.419 1.00 0.00 O ATOM 701 CB TYR B 26 -7.017 -3.610 -9.015 1.00 0.00 C ATOM 702 CG TYR B 26 -6.411 -2.241 -9.215 1.00 0.00 C ATOM 703 CD1 TYR B 26 -5.090 -1.995 -8.820 1.00 0.00 C ATOM 704 CD2 TYR B 26 -7.171 -1.218 -9.798 1.00 0.00 C ATOM 705 CE1 TYR B 26 -4.528 -0.726 -9.004 1.00 0.00 C ATOM 706 CE2 TYR B 26 -6.608 0.053 -9.984 1.00 0.00 C ATOM 707 CZ TYR B 26 -5.287 0.299 -9.588 1.00 0.00 C ATOM 708 OH TYR B 26 -4.733 1.549 -9.771 1.00 0.00 O ATOM 0 H TYR B 26 -6.627 -6.026 -8.487 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.778 -3.688 -7.257 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.601 -4.312 -9.738 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.092 -3.572 -9.189 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.504 -2.785 -8.373 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -8.189 -1.408 -10.104 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.510 -0.536 -8.696 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.193 0.842 -10.433 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.289 2.065 -10.391 1.00 0.00 H new ATOM 718 N THR B 27 -7.720 -2.433 -6.124 1.00 0.00 N ATOM 719 CA THR B 27 -8.772 -1.916 -5.205 1.00 0.00 C ATOM 720 C THR B 27 -9.894 -1.276 -6.026 1.00 0.00 C ATOM 721 O THR B 27 -9.940 -1.402 -7.234 1.00 0.00 O ATOM 722 CB THR B 27 -8.164 -0.873 -4.265 1.00 0.00 C ATOM 723 OG1 THR B 27 -7.140 -0.162 -4.948 1.00 0.00 O ATOM 724 CG2 THR B 27 -7.572 -1.570 -3.040 1.00 0.00 C ATOM 0 H THR B 27 -6.935 -1.802 -6.285 1.00 0.00 H new ATOM 0 HA THR B 27 -9.177 -2.739 -4.616 1.00 0.00 H new ATOM 0 HB THR B 27 -8.939 -0.177 -3.945 1.00 0.00 H new ATOM 0 HG1 THR B 27 -7.469 0.123 -5.826 1.00 0.00 H new ATOM 0 HG21 THR B 27 -7.139 -0.826 -2.372 1.00 0.00 H new ATOM 0 HG22 THR B 27 -8.357 -2.115 -2.516 1.00 0.00 H new ATOM 0 HG23 THR B 27 -6.796 -2.267 -3.357 1.00 0.00 H new ATOM 732 N LYS B 28 -10.797 -0.590 -5.383 1.00 0.00 N ATOM 733 CA LYS B 28 -11.913 0.055 -6.131 1.00 0.00 C ATOM 734 C LYS B 28 -11.962 1.546 -5.791 1.00 0.00 C ATOM 735 O LYS B 28 -12.765 1.970 -4.984 1.00 0.00 O ATOM 736 CB LYS B 28 -13.238 -0.604 -5.741 1.00 0.00 C ATOM 737 CG LYS B 28 -14.274 -0.349 -6.837 1.00 0.00 C ATOM 738 CD LYS B 28 -14.929 -1.672 -7.239 1.00 0.00 C ATOM 739 CE LYS B 28 -15.981 -1.413 -8.319 1.00 0.00 C ATOM 740 NZ LYS B 28 -15.602 -2.136 -9.567 1.00 0.00 N ATOM 0 H LYS B 28 -10.811 -0.448 -4.373 1.00 0.00 H new ATOM 0 HA LYS B 28 -11.750 -0.066 -7.202 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.097 -1.676 -5.601 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -13.591 -0.202 -4.791 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -15.031 0.350 -6.481 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -13.797 0.111 -7.703 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -14.174 -2.366 -7.610 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -15.392 -2.140 -6.370 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -16.960 -1.747 -7.976 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -16.060 -0.344 -8.515 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -16.317 -1.960 -10.301 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -14.676 -1.797 -9.897 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -15.548 -3.157 -9.374 1.00 0.00 H new ATOM 754 N PRO B 29 -11.096 2.298 -6.421 1.00 0.00 N ATOM 755 CA PRO B 29 -11.007 3.754 -6.215 1.00 0.00 C ATOM 756 C PRO B 29 -12.128 4.470 -6.976 1.00 0.00 C ATOM 757 O PRO B 29 -12.459 4.117 -8.090 1.00 0.00 O ATOM 758 CB PRO B 29 -9.635 4.115 -6.791 1.00 0.00 C ATOM 759 CG PRO B 29 -9.269 2.987 -7.785 1.00 0.00 C ATOM 760 CD PRO B 29 -10.124 1.765 -7.398 1.00 0.00 C ATOM 0 HA PRO B 29 -11.114 4.048 -5.171 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -9.667 5.081 -7.294 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -8.890 4.192 -6.000 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -9.473 3.293 -8.811 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -8.207 2.750 -7.728 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -10.626 1.339 -8.267 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.514 0.974 -6.962 1.00 0.00 H new ATOM 768 N THR B 30 -12.714 5.473 -6.381 1.00 0.00 N ATOM 769 CA THR B 30 -13.812 6.210 -7.070 1.00 0.00 C ATOM 770 C THR B 30 -13.257 6.904 -8.316 1.00 0.00 C ATOM 771 O THR B 30 -13.995 7.662 -8.925 1.00 0.00 O ATOM 772 CB THR B 30 -14.396 7.259 -6.120 1.00 0.00 C ATOM 773 OG1 THR B 30 -15.342 8.054 -6.820 1.00 0.00 O ATOM 774 CG2 THR B 30 -13.272 8.149 -5.589 1.00 0.00 C ATOM 775 OXT THR B 30 -12.106 6.665 -8.640 1.00 0.00 O ATOM 0 H THR B 30 -12.480 5.814 -5.448 1.00 0.00 H new ATOM 0 HA THR B 30 -14.593 5.508 -7.362 1.00 0.00 H new ATOM 0 HB THR B 30 -14.887 6.761 -5.284 1.00 0.00 H new ATOM 0 HG1 THR B 30 -15.342 7.804 -7.768 1.00 0.00 H new ATOM 0 HG21 THR B 30 -13.688 8.896 -4.913 1.00 0.00 H new ATOM 0 HG22 THR B 30 -12.546 7.538 -5.053 1.00 0.00 H new ATOM 0 HG23 THR B 30 -12.779 8.649 -6.423 1.00 0.00 H new TER 783 THR B 30