USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=12 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 :FLIP amide:sc= -0.302 F(o=-0.87,f=-0.3) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -20:sc= 0.589 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= -0.0771 X(o=-0.077,f=-0.36) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.907 K(o=-0.91,f=-1.9) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -3.01! C(o=-3!,f=-3.2!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= -2.13 K(o=-2.1,f=-3.1!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= -0.737 USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.553 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.400 4.202 -0.241 1.00 0.00 N ATOM 2 CA GLY A 1 -5.946 3.013 -1.086 1.00 0.00 C ATOM 3 C GLY A 1 -4.586 3.029 -1.697 1.00 0.00 C ATOM 4 O GLY A 1 -3.757 3.852 -1.365 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.365 4.032 0.107 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.756 4.320 0.567 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.389 5.065 -0.821 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.014 2.122 -0.461 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.667 2.891 -1.894 1.00 0.00 H new HETATM 10 N IIL A 2 -4.318 2.127 -2.601 1.00 0.00 N HETATM 11 CA IIL A 2 -2.975 2.094 -3.245 1.00 0.00 C HETATM 12 C IIL A 2 -2.983 2.978 -4.495 1.00 0.00 C HETATM 13 O IIL A 2 -2.026 3.671 -4.782 1.00 0.00 O HETATM 14 CB IIL A 2 -2.630 0.656 -3.639 1.00 0.00 C HETATM 15 CG2 IIL A 2 -1.230 0.616 -4.249 1.00 0.00 C HETATM 16 CG1 IIL A 2 -3.648 0.146 -4.662 1.00 0.00 C HETATM 17 CD1 IIL A 2 -3.692 -1.382 -4.618 1.00 0.00 C HETATM 0 HG23 IIL A 2 -1.200 1.252 -5.134 1.00 0.00 H new HETATM 0 HG22 IIL A 2 -0.505 0.976 -3.519 1.00 0.00 H new HETATM 0 HG21 IIL A 2 -0.984 -0.408 -4.530 1.00 0.00 H new HETATM 0 HG13 IIL A 2 -4.635 0.555 -4.445 1.00 0.00 H new HETATM 0 HG12 IIL A 2 -3.376 0.484 -5.662 1.00 0.00 H new HETATM 0 HD13 IIL A 2 -2.706 -1.781 -4.856 1.00 0.00 H new HETATM 0 HD12 IIL A 2 -3.985 -1.709 -3.620 1.00 0.00 H new HETATM 0 HD11 IIL A 2 -4.417 -1.746 -5.346 1.00 0.00 H new HETATM 0 HB IIL A 2 -2.658 0.022 -2.753 1.00 0.00 H new HETATM 0 HA IIL A 2 -2.229 2.466 -2.543 1.00 0.00 H new ATOM 29 N VAL A 3 -4.053 2.960 -5.241 1.00 0.00 N ATOM 30 CA VAL A 3 -4.117 3.799 -6.470 1.00 0.00 C ATOM 31 C VAL A 3 -4.240 5.272 -6.080 1.00 0.00 C ATOM 32 O VAL A 3 -3.708 6.144 -6.737 1.00 0.00 O ATOM 33 CB VAL A 3 -5.333 3.390 -7.301 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.331 4.161 -8.621 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.273 1.887 -7.588 1.00 0.00 C ATOM 0 H VAL A 3 -4.885 2.401 -5.053 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.209 3.654 -7.055 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.244 3.618 -6.748 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.198 3.870 -9.214 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.374 5.231 -8.417 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.420 3.933 -9.174 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.140 1.595 -8.181 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.362 1.658 -8.141 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.274 1.337 -6.647 1.00 0.00 H new ATOM 45 N GLU A 4 -4.941 5.560 -5.017 1.00 0.00 N ATOM 46 CA GLU A 4 -5.097 6.980 -4.592 1.00 0.00 C ATOM 47 C GLU A 4 -3.836 7.443 -3.859 1.00 0.00 C ATOM 48 O GLU A 4 -3.714 8.591 -3.484 1.00 0.00 O ATOM 49 CB GLU A 4 -6.301 7.106 -3.655 1.00 0.00 C ATOM 50 CG GLU A 4 -7.427 6.191 -4.140 1.00 0.00 C ATOM 51 CD GLU A 4 -8.777 6.773 -3.715 1.00 0.00 C ATOM 52 OE1 GLU A 4 -8.883 7.987 -3.656 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.679 5.995 -3.454 1.00 0.00 O ATOM 0 H GLU A 4 -5.411 4.875 -4.426 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.253 7.601 -5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.013 6.838 -2.639 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.646 8.140 -3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.387 6.091 -5.225 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.303 5.191 -3.723 1.00 0.00 H new ATOM 60 N GLN A 5 -2.896 6.561 -3.646 1.00 0.00 N ATOM 61 CA GLN A 5 -1.651 6.967 -2.933 1.00 0.00 C ATOM 62 C GLN A 5 -0.497 7.099 -3.931 1.00 0.00 C ATOM 63 O GLN A 5 0.296 8.015 -3.855 1.00 0.00 O ATOM 64 CB GLN A 5 -1.300 5.917 -1.876 1.00 0.00 C ATOM 65 CG GLN A 5 -2.062 6.220 -0.585 1.00 0.00 C ATOM 66 CD GLN A 5 -1.475 7.470 0.074 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.180 7.602 0.156 1.00 0.00 O flip ATOM 68 NE2 GLN A 5 -2.203 8.334 0.520 1.00 0.00 N flip ATOM 0 H GLN A 5 -2.936 5.583 -3.933 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.814 7.929 -2.448 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.557 4.921 -2.238 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.227 5.920 -1.687 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.119 6.373 -0.802 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.996 5.372 0.096 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.216 8.231 0.456 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.802 9.163 0.959 1.00 0.00 H new ATOM 77 N CYS A 6 -0.396 6.199 -4.872 1.00 0.00 N ATOM 78 CA CYS A 6 0.709 6.293 -5.867 1.00 0.00 C ATOM 79 C CYS A 6 0.267 7.194 -7.019 1.00 0.00 C ATOM 80 O CYS A 6 1.077 7.715 -7.761 1.00 0.00 O ATOM 81 CB CYS A 6 1.047 4.901 -6.401 1.00 0.00 C ATOM 82 SG CYS A 6 1.434 3.803 -5.016 1.00 0.00 S ATOM 0 H CYS A 6 -1.027 5.407 -4.994 1.00 0.00 H new ATOM 0 HA CYS A 6 1.595 6.713 -5.391 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.206 4.504 -6.970 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.896 4.957 -7.083 1.00 0.00 H new ATOM 87 N CYS A 7 -1.014 7.394 -7.166 1.00 0.00 N ATOM 88 CA CYS A 7 -1.506 8.275 -8.258 1.00 0.00 C ATOM 89 C CYS A 7 -1.631 9.698 -7.714 1.00 0.00 C ATOM 90 O CYS A 7 -1.680 10.659 -8.456 1.00 0.00 O ATOM 91 CB CYS A 7 -2.860 7.767 -8.762 1.00 0.00 C ATOM 92 SG CYS A 7 -3.228 8.499 -10.377 1.00 0.00 S ATOM 0 H CYS A 7 -1.739 6.985 -6.577 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.808 8.268 -9.095 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.845 6.680 -8.840 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.643 8.024 -8.049 1.00 0.00 H new ATOM 97 N THR A 8 -1.648 9.837 -6.416 1.00 0.00 N ATOM 98 CA THR A 8 -1.728 11.192 -5.809 1.00 0.00 C ATOM 99 C THR A 8 -0.299 11.677 -5.564 1.00 0.00 C ATOM 100 O THR A 8 -0.025 12.858 -5.495 1.00 0.00 O ATOM 101 CB THR A 8 -2.487 11.117 -4.478 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.852 12.428 -4.069 1.00 0.00 O ATOM 103 CG2 THR A 8 -1.600 10.475 -3.408 1.00 0.00 C ATOM 0 H THR A 8 -1.610 9.066 -5.749 1.00 0.00 H new ATOM 0 HA THR A 8 -2.255 11.879 -6.471 1.00 0.00 H new ATOM 0 HB THR A 8 -3.384 10.511 -4.609 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.338 12.382 -3.219 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.145 10.425 -2.465 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.323 9.468 -3.721 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.699 11.074 -3.275 1.00 0.00 H new ATOM 111 N SER A 9 0.614 10.751 -5.443 1.00 0.00 N ATOM 112 CA SER A 9 2.040 11.107 -5.212 1.00 0.00 C ATOM 113 C SER A 9 2.906 9.907 -5.602 1.00 0.00 C ATOM 114 O SER A 9 2.435 8.969 -6.216 1.00 0.00 O ATOM 115 CB SER A 9 2.253 11.439 -3.735 1.00 0.00 C ATOM 116 OG SER A 9 1.368 12.485 -3.356 1.00 0.00 O ATOM 0 H SER A 9 0.427 9.750 -5.495 1.00 0.00 H new ATOM 0 HA SER A 9 2.313 11.976 -5.811 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.074 10.556 -3.122 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.286 11.741 -3.564 1.00 0.00 H new ATOM 0 HG SER A 9 1.067 12.965 -4.156 1.00 0.00 H new ATOM 122 N ILE A 10 4.162 9.916 -5.256 1.00 0.00 N ATOM 123 CA ILE A 10 5.032 8.762 -5.618 1.00 0.00 C ATOM 124 C ILE A 10 5.184 7.834 -4.411 1.00 0.00 C ATOM 125 O ILE A 10 5.538 8.257 -3.329 1.00 0.00 O ATOM 126 CB ILE A 10 6.408 9.269 -6.053 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.226 10.335 -7.144 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.227 8.096 -6.600 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.522 10.498 -7.941 1.00 0.00 C ATOM 0 H ILE A 10 4.622 10.667 -4.742 1.00 0.00 H new ATOM 0 HA ILE A 10 4.575 8.212 -6.441 1.00 0.00 H new ATOM 0 HB ILE A 10 6.932 9.707 -5.204 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.413 10.049 -7.811 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.946 11.286 -6.691 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.209 8.452 -6.912 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.345 7.341 -5.823 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.711 7.660 -7.455 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.382 11.256 -8.712 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.325 10.806 -7.271 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.783 9.549 -8.409 1.00 0.00 H new ATOM 141 N CYS A 11 4.913 6.569 -4.590 1.00 0.00 N ATOM 142 CA CYS A 11 5.035 5.609 -3.455 1.00 0.00 C ATOM 143 C CYS A 11 6.205 4.656 -3.712 1.00 0.00 C ATOM 144 O CYS A 11 7.073 4.927 -4.518 1.00 0.00 O ATOM 145 CB CYS A 11 3.740 4.805 -3.330 1.00 0.00 C ATOM 146 SG CYS A 11 3.448 3.890 -4.865 1.00 0.00 S ATOM 0 H CYS A 11 4.612 6.159 -5.474 1.00 0.00 H new ATOM 0 HA CYS A 11 5.214 6.159 -2.531 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.808 4.114 -2.489 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.903 5.473 -3.127 1.00 0.00 H new ATOM 151 N SER A 12 6.237 3.542 -3.031 1.00 0.00 N ATOM 152 CA SER A 12 7.354 2.575 -3.236 1.00 0.00 C ATOM 153 C SER A 12 6.785 1.184 -3.533 1.00 0.00 C ATOM 154 O SER A 12 5.664 0.870 -3.183 1.00 0.00 O ATOM 155 CB SER A 12 8.211 2.514 -1.969 1.00 0.00 C ATOM 156 OG SER A 12 7.457 3.001 -0.867 1.00 0.00 O ATOM 0 H SER A 12 5.539 3.260 -2.343 1.00 0.00 H new ATOM 0 HA SER A 12 7.965 2.902 -4.077 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.530 1.489 -1.781 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.114 3.110 -2.098 1.00 0.00 H new ATOM 0 HG SER A 12 8.003 2.961 -0.054 1.00 0.00 H new ATOM 162 N LEU A 13 7.555 0.346 -4.173 1.00 0.00 N ATOM 163 CA LEU A 13 7.065 -1.024 -4.492 1.00 0.00 C ATOM 164 C LEU A 13 6.972 -1.842 -3.203 1.00 0.00 C ATOM 165 O LEU A 13 6.232 -2.803 -3.122 1.00 0.00 O ATOM 166 CB LEU A 13 8.041 -1.705 -5.452 1.00 0.00 C ATOM 167 CG LEU A 13 8.636 -0.665 -6.399 1.00 0.00 C ATOM 168 CD1 LEU A 13 10.043 -0.292 -5.929 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.708 -1.248 -7.812 1.00 0.00 C ATOM 0 H LEU A 13 8.503 0.552 -4.489 1.00 0.00 H new ATOM 0 HA LEU A 13 6.082 -0.958 -4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.835 -2.197 -4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.526 -2.479 -6.022 1.00 0.00 H new ATOM 0 HG LEU A 13 8.008 0.226 -6.403 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.468 0.450 -6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.992 0.121 -4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.673 -1.181 -5.925 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.132 -0.507 -8.490 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.337 -2.138 -7.807 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.706 -1.514 -8.147 1.00 0.00 H new ATOM 181 N TYR A 14 7.707 -1.467 -2.189 1.00 0.00 N ATOM 182 CA TYR A 14 7.641 -2.227 -0.911 1.00 0.00 C ATOM 183 C TYR A 14 6.210 -2.167 -0.408 1.00 0.00 C ATOM 184 O TYR A 14 5.670 -3.127 0.105 1.00 0.00 O ATOM 185 CB TYR A 14 8.580 -1.598 0.119 1.00 0.00 C ATOM 186 CG TYR A 14 10.007 -1.688 -0.380 1.00 0.00 C ATOM 187 CD1 TYR A 14 10.563 -2.936 -0.704 1.00 0.00 C ATOM 188 CD2 TYR A 14 10.778 -0.525 -0.517 1.00 0.00 C ATOM 189 CE1 TYR A 14 11.884 -3.017 -1.164 1.00 0.00 C ATOM 190 CE2 TYR A 14 12.098 -0.607 -0.978 1.00 0.00 C ATOM 191 CZ TYR A 14 12.652 -1.854 -1.301 1.00 0.00 C ATOM 192 OH TYR A 14 13.953 -1.933 -1.754 1.00 0.00 O ATOM 0 H TYR A 14 8.346 -0.672 -2.192 1.00 0.00 H new ATOM 0 HA TYR A 14 7.947 -3.261 -1.068 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.307 -0.556 0.288 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.485 -2.111 1.076 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.972 -3.834 -0.599 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.353 0.436 -0.267 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.310 -3.977 -1.413 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.689 0.290 -1.085 1.00 0.00 H new ATOM 0 HH TYR A 14 14.342 -1.034 -1.791 1.00 0.00 H new ATOM 202 N GLN A 15 5.584 -1.043 -0.584 1.00 0.00 N ATOM 203 CA GLN A 15 4.173 -0.905 -0.153 1.00 0.00 C ATOM 204 C GLN A 15 3.294 -1.595 -1.193 1.00 0.00 C ATOM 205 O GLN A 15 2.167 -1.967 -0.932 1.00 0.00 O ATOM 206 CB GLN A 15 3.803 0.578 -0.061 1.00 0.00 C ATOM 207 CG GLN A 15 4.594 1.229 1.076 1.00 0.00 C ATOM 208 CD GLN A 15 3.709 2.249 1.795 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.593 1.946 2.166 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.164 3.453 2.008 1.00 0.00 N ATOM 0 H GLN A 15 5.991 -0.210 -1.010 1.00 0.00 H new ATOM 0 HA GLN A 15 4.028 -1.360 0.827 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.022 1.078 -1.004 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.733 0.687 0.116 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.935 0.468 1.778 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.484 1.719 0.680 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.101 3.707 1.696 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.582 4.141 2.487 1.00 0.00 H new ATOM 219 N LEU A 16 3.820 -1.780 -2.374 1.00 0.00 N ATOM 220 CA LEU A 16 3.051 -2.455 -3.448 1.00 0.00 C ATOM 221 C LEU A 16 2.948 -3.946 -3.122 1.00 0.00 C ATOM 222 O LEU A 16 2.081 -4.644 -3.610 1.00 0.00 O ATOM 223 CB LEU A 16 3.792 -2.265 -4.772 1.00 0.00 C ATOM 224 CG LEU A 16 3.280 -1.006 -5.476 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.971 -0.855 -6.833 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.772 -1.122 -5.688 1.00 0.00 C ATOM 0 H LEU A 16 4.761 -1.487 -2.639 1.00 0.00 H new ATOM 0 HA LEU A 16 2.049 -2.032 -3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.864 -2.181 -4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.644 -3.136 -5.411 1.00 0.00 H new ATOM 0 HG LEU A 16 3.499 -0.134 -4.860 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.603 0.042 -7.331 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.048 -0.773 -6.686 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.754 -1.727 -7.451 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.405 -0.226 -6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.557 -1.996 -6.303 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.276 -1.227 -4.723 1.00 0.00 H new ATOM 238 N GLU A 17 3.829 -4.433 -2.292 1.00 0.00 N ATOM 239 CA GLU A 17 3.797 -5.876 -1.918 1.00 0.00 C ATOM 240 C GLU A 17 2.664 -6.111 -0.920 1.00 0.00 C ATOM 241 O GLU A 17 2.131 -7.198 -0.810 1.00 0.00 O ATOM 242 CB GLU A 17 5.130 -6.266 -1.274 1.00 0.00 C ATOM 243 CG GLU A 17 6.108 -6.735 -2.352 1.00 0.00 C ATOM 244 CD GLU A 17 7.018 -7.824 -1.777 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.333 -7.744 -0.601 1.00 0.00 O ATOM 246 OE2 GLU A 17 7.382 -8.719 -2.522 1.00 0.00 O ATOM 0 H GLU A 17 4.574 -3.891 -1.854 1.00 0.00 H new ATOM 0 HA GLU A 17 3.634 -6.482 -2.809 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.548 -5.415 -0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.973 -7.059 -0.543 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.560 -7.120 -3.212 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.706 -5.895 -2.705 1.00 0.00 H new ATOM 253 N ASN A 18 2.294 -5.098 -0.192 1.00 0.00 N ATOM 254 CA ASN A 18 1.198 -5.250 0.802 1.00 0.00 C ATOM 255 C ASN A 18 -0.145 -5.342 0.073 1.00 0.00 C ATOM 256 O ASN A 18 -1.180 -5.526 0.681 1.00 0.00 O ATOM 257 CB ASN A 18 1.193 -4.039 1.735 1.00 0.00 C ATOM 258 CG ASN A 18 1.897 -4.400 3.045 1.00 0.00 C ATOM 259 OD1 ASN A 18 3.102 -4.293 3.149 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.191 -4.829 4.055 1.00 0.00 N ATOM 0 H ASN A 18 2.705 -4.166 -0.243 1.00 0.00 H new ATOM 0 HA ASN A 18 1.354 -6.158 1.384 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.697 -3.198 1.259 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.169 -3.725 1.935 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.651 -5.074 4.931 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.179 -4.919 3.968 1.00 0.00 H new ATOM 267 N TYR A 19 -0.133 -5.221 -1.227 1.00 0.00 N ATOM 268 CA TYR A 19 -1.405 -5.307 -1.997 1.00 0.00 C ATOM 269 C TYR A 19 -1.381 -6.575 -2.848 1.00 0.00 C ATOM 270 O TYR A 19 -1.953 -6.634 -3.918 1.00 0.00 O ATOM 271 CB TYR A 19 -1.535 -4.083 -2.905 1.00 0.00 C ATOM 272 CG TYR A 19 -1.743 -2.851 -2.058 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.028 -2.519 -1.605 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.651 -2.040 -1.722 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.219 -1.376 -0.818 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.843 -0.896 -0.936 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.126 -0.564 -0.484 1.00 0.00 C ATOM 278 OH TYR A 19 -2.315 0.564 0.290 1.00 0.00 O ATOM 0 H TYR A 19 0.704 -5.066 -1.789 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.253 -5.337 -1.312 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.638 -3.972 -3.515 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.372 -4.212 -3.591 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.870 -3.144 -1.863 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.339 -2.297 -2.069 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.208 -1.120 -0.468 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.001 -0.270 -0.679 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.455 1.013 0.430 1.00 0.00 H new ATOM 288 N CYS A 20 -0.711 -7.590 -2.377 1.00 0.00 N ATOM 289 CA CYS A 20 -0.632 -8.858 -3.148 1.00 0.00 C ATOM 290 C CYS A 20 -1.767 -9.792 -2.720 1.00 0.00 C ATOM 291 O CYS A 20 -2.874 -9.701 -3.213 1.00 0.00 O ATOM 292 CB CYS A 20 0.728 -9.512 -2.888 1.00 0.00 C ATOM 293 SG CYS A 20 2.040 -8.369 -3.381 1.00 0.00 S ATOM 0 H CYS A 20 -0.213 -7.594 -1.487 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.735 -8.655 -4.214 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.827 -9.765 -1.833 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.811 -10.443 -3.449 1.00 0.00 H new ATOM 298 N ASN A 21 -1.509 -10.685 -1.808 1.00 0.00 N ATOM 299 CA ASN A 21 -2.581 -11.615 -1.354 1.00 0.00 C ATOM 300 C ASN A 21 -2.188 -12.231 -0.010 1.00 0.00 C ATOM 301 O ASN A 21 -1.198 -12.944 0.025 1.00 0.00 O ATOM 302 CB ASN A 21 -2.765 -12.724 -2.391 1.00 0.00 C ATOM 303 CG ASN A 21 -3.888 -12.336 -3.354 1.00 0.00 C ATOM 304 OD1 ASN A 21 -4.921 -11.853 -2.939 1.00 0.00 O ATOM 305 ND2 ASN A 21 -3.725 -12.527 -4.634 1.00 0.00 N ATOM 306 OXT ASN A 21 -2.882 -11.978 0.960 1.00 0.00 O ATOM 0 H ASN A 21 -0.603 -10.812 -1.357 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.515 -11.065 -1.240 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.837 -12.881 -2.941 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.005 -13.665 -1.895 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.466 -12.270 -5.286 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.857 -12.933 -4.983 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 15.179 3.346 -5.435 1.00 0.00 N ATOM 315 CA PHE B 1 14.751 2.483 -6.572 1.00 0.00 C ATOM 316 C PHE B 1 13.535 3.104 -7.256 1.00 0.00 C ATOM 317 O PHE B 1 13.511 3.289 -8.457 1.00 0.00 O ATOM 318 CB PHE B 1 14.381 1.094 -6.050 1.00 0.00 C ATOM 319 CG PHE B 1 13.852 0.257 -7.195 1.00 0.00 C ATOM 320 CD1 PHE B 1 12.516 0.386 -7.603 1.00 0.00 C ATOM 321 CD2 PHE B 1 14.699 -0.644 -7.856 1.00 0.00 C ATOM 322 CE1 PHE B 1 12.030 -0.387 -8.667 1.00 0.00 C ATOM 323 CE2 PHE B 1 14.211 -1.416 -8.919 1.00 0.00 C ATOM 324 CZ PHE B 1 12.878 -1.286 -9.325 1.00 0.00 C ATOM 0 H1 PHE B 1 16.007 2.922 -4.970 1.00 0.00 H new ATOM 0 H2 PHE B 1 15.428 4.291 -5.791 1.00 0.00 H new ATOM 0 H3 PHE B 1 14.401 3.428 -4.749 1.00 0.00 H new ATOM 0 HA PHE B 1 15.569 2.399 -7.287 1.00 0.00 H new ATOM 0 HB2 PHE B 1 15.254 0.615 -5.606 1.00 0.00 H new ATOM 0 HB3 PHE B 1 13.629 1.176 -5.265 1.00 0.00 H new ATOM 0 HD1 PHE B 1 11.862 1.081 -7.097 1.00 0.00 H new ATOM 0 HD2 PHE B 1 15.729 -0.743 -7.546 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.001 -0.289 -8.979 1.00 0.00 H new ATOM 0 HE2 PHE B 1 14.864 -2.112 -9.425 1.00 0.00 H new ATOM 0 HZ PHE B 1 12.503 -1.879 -10.146 1.00 0.00 H new ATOM 336 N VAL B 2 12.521 3.425 -6.502 1.00 0.00 N ATOM 337 CA VAL B 2 11.304 4.033 -7.108 1.00 0.00 C ATOM 338 C VAL B 2 11.555 5.523 -7.353 1.00 0.00 C ATOM 339 O VAL B 2 12.559 6.065 -6.938 1.00 0.00 O ATOM 340 CB VAL B 2 10.121 3.851 -6.154 1.00 0.00 C ATOM 341 CG1 VAL B 2 10.271 4.798 -4.962 1.00 0.00 C ATOM 342 CG2 VAL B 2 8.816 4.160 -6.892 1.00 0.00 C ATOM 0 H VAL B 2 12.482 3.292 -5.491 1.00 0.00 H new ATOM 0 HA VAL B 2 11.077 3.547 -8.057 1.00 0.00 H new ATOM 0 HB VAL B 2 10.101 2.821 -5.797 1.00 0.00 H new ATOM 0 HG11 VAL B 2 9.427 4.666 -4.284 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.198 4.575 -4.435 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.294 5.828 -5.317 1.00 0.00 H new ATOM 0 HG21 VAL B 2 7.974 4.030 -6.212 1.00 0.00 H new ATOM 0 HG22 VAL B 2 8.836 5.189 -7.252 1.00 0.00 H new ATOM 0 HG23 VAL B 2 8.707 3.482 -7.738 1.00 0.00 H new ATOM 352 N ASN B 3 10.654 6.186 -8.030 1.00 0.00 N ATOM 353 CA ASN B 3 10.843 7.642 -8.308 1.00 0.00 C ATOM 354 C ASN B 3 9.831 8.106 -9.362 1.00 0.00 C ATOM 355 O ASN B 3 9.526 9.277 -9.463 1.00 0.00 O ATOM 356 CB ASN B 3 12.260 7.889 -8.832 1.00 0.00 C ATOM 357 CG ASN B 3 13.141 8.426 -7.702 1.00 0.00 C ATOM 358 OD1 ASN B 3 12.745 9.317 -6.977 1.00 0.00 O ATOM 359 ND2 ASN B 3 14.330 7.918 -7.524 1.00 0.00 N ATOM 0 H ASN B 3 9.795 5.782 -8.403 1.00 0.00 H new ATOM 0 HA ASN B 3 10.691 8.201 -7.384 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.680 6.963 -9.225 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.234 8.602 -9.656 1.00 0.00 H new ATOM 0 HD21 ASN B 3 14.928 8.269 -6.776 1.00 0.00 H new ATOM 0 HD22 ASN B 3 14.661 7.170 -8.133 1.00 0.00 H new ATOM 366 N GLN B 4 9.316 7.204 -10.155 1.00 0.00 N ATOM 367 CA GLN B 4 8.334 7.602 -11.198 1.00 0.00 C ATOM 368 C GLN B 4 6.928 7.635 -10.594 1.00 0.00 C ATOM 369 O GLN B 4 6.660 7.017 -9.583 1.00 0.00 O ATOM 370 CB GLN B 4 8.378 6.582 -12.334 1.00 0.00 C ATOM 371 CG GLN B 4 9.329 7.070 -13.428 1.00 0.00 C ATOM 372 CD GLN B 4 10.615 6.243 -13.391 1.00 0.00 C ATOM 373 OE1 GLN B 4 10.633 5.107 -13.823 1.00 0.00 O ATOM 374 NE2 GLN B 4 11.700 6.767 -12.890 1.00 0.00 N ATOM 0 H GLN B 4 9.535 6.208 -10.123 1.00 0.00 H new ATOM 0 HA GLN B 4 8.582 8.592 -11.580 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.710 5.615 -11.955 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.379 6.438 -12.745 1.00 0.00 H new ATOM 0 HG2 GLN B 4 8.854 6.980 -14.405 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.558 8.125 -13.281 1.00 0.00 H new ATOM 0 HE21 GLN B 4 11.686 7.720 -12.527 1.00 0.00 H new ATOM 0 HE22 GLN B 4 12.563 6.223 -12.861 1.00 0.00 H new ATOM 383 N HIS B 5 6.027 8.353 -11.207 1.00 0.00 N ATOM 384 CA HIS B 5 4.638 8.428 -10.669 1.00 0.00 C ATOM 385 C HIS B 5 3.846 7.198 -11.121 1.00 0.00 C ATOM 386 O HIS B 5 4.021 6.703 -12.216 1.00 0.00 O ATOM 387 CB HIS B 5 3.958 9.694 -11.198 1.00 0.00 C ATOM 388 CG HIS B 5 2.893 10.142 -10.235 1.00 0.00 C ATOM 389 ND1 HIS B 5 1.715 10.705 -10.678 1.00 0.00 N ATOM 390 CD2 HIS B 5 2.840 10.107 -8.868 1.00 0.00 C ATOM 391 CE1 HIS B 5 0.992 10.995 -9.588 1.00 0.00 C ATOM 392 NE2 HIS B 5 1.639 10.647 -8.456 1.00 0.00 N ATOM 0 H HIS B 5 6.192 8.891 -12.057 1.00 0.00 H new ATOM 0 HA HIS B 5 4.671 8.457 -9.580 1.00 0.00 H new ATOM 0 HB2 HIS B 5 4.696 10.485 -11.332 1.00 0.00 H new ATOM 0 HB3 HIS B 5 3.518 9.500 -12.176 1.00 0.00 H new ATOM 0 HD1 HIS B 5 1.446 10.869 -11.648 1.00 0.00 H new ATOM 0 HD2 HIS B 5 3.611 9.720 -8.218 1.00 0.00 H new ATOM 0 HE1 HIS B 5 0.013 11.451 -9.612 1.00 0.00 H new ATOM 400 N LEU B 6 2.976 6.704 -10.284 1.00 0.00 N ATOM 401 CA LEU B 6 2.172 5.507 -10.663 1.00 0.00 C ATOM 402 C LEU B 6 0.690 5.878 -10.663 1.00 0.00 C ATOM 403 O LEU B 6 0.276 6.788 -9.980 1.00 0.00 O ATOM 404 CB LEU B 6 2.424 4.386 -9.649 1.00 0.00 C ATOM 405 CG LEU B 6 3.511 3.437 -10.172 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.600 4.229 -10.902 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.137 2.694 -8.992 1.00 0.00 C ATOM 0 H LEU B 6 2.787 7.077 -9.354 1.00 0.00 H new ATOM 0 HA LEU B 6 2.461 5.166 -11.657 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.731 4.811 -8.693 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.502 3.832 -9.470 1.00 0.00 H new ATOM 0 HG LEU B 6 3.061 2.728 -10.867 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.365 3.544 -11.268 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.159 4.763 -11.743 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.052 4.944 -10.215 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.910 2.018 -9.357 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.579 3.413 -8.303 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.368 2.120 -8.474 1.00 0.00 H new ATOM 419 N CYS B 7 -0.112 5.185 -11.423 1.00 0.00 N ATOM 420 CA CYS B 7 -1.565 5.510 -11.464 1.00 0.00 C ATOM 421 C CYS B 7 -2.337 4.289 -11.999 1.00 0.00 C ATOM 422 O CYS B 7 -2.446 3.283 -11.327 1.00 0.00 O ATOM 423 CB CYS B 7 -1.783 6.729 -12.371 1.00 0.00 C ATOM 424 SG CYS B 7 -1.524 8.255 -11.432 1.00 0.00 S ATOM 0 H CYS B 7 0.176 4.408 -12.017 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.930 5.748 -10.465 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -1.095 6.691 -13.216 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.793 6.712 -12.781 1.00 0.00 H new ATOM 429 N GLY B 8 -2.873 4.350 -13.195 1.00 0.00 N ATOM 430 CA GLY B 8 -3.621 3.179 -13.732 1.00 0.00 C ATOM 431 C GLY B 8 -2.638 2.092 -14.170 1.00 0.00 C ATOM 432 O GLY B 8 -2.128 1.339 -13.364 1.00 0.00 O ATOM 0 H GLY B 8 -2.823 5.157 -13.816 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.296 2.787 -12.971 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.238 3.486 -14.577 1.00 0.00 H new ATOM 436 N SER B 9 -2.377 2.000 -15.444 1.00 0.00 N ATOM 437 CA SER B 9 -1.436 0.958 -15.943 1.00 0.00 C ATOM 438 C SER B 9 -0.115 1.030 -15.169 1.00 0.00 C ATOM 439 O SER B 9 0.455 0.020 -14.808 1.00 0.00 O ATOM 440 CB SER B 9 -1.163 1.188 -17.431 1.00 0.00 C ATOM 441 OG SER B 9 -2.163 0.529 -18.198 1.00 0.00 O ATOM 0 H SER B 9 -2.776 2.603 -16.163 1.00 0.00 H new ATOM 0 HA SER B 9 -1.884 -0.025 -15.798 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.163 2.255 -17.652 1.00 0.00 H new ATOM 0 HB3 SER B 9 -0.176 0.808 -17.695 1.00 0.00 H new ATOM 0 HG SER B 9 -1.993 0.675 -19.152 1.00 0.00 H new ATOM 447 N ASP B 10 0.380 2.212 -14.918 1.00 0.00 N ATOM 448 CA ASP B 10 1.669 2.334 -14.177 1.00 0.00 C ATOM 449 C ASP B 10 1.546 1.663 -12.806 1.00 0.00 C ATOM 450 O ASP B 10 2.378 0.866 -12.422 1.00 0.00 O ATOM 451 CB ASP B 10 2.022 3.811 -13.991 1.00 0.00 C ATOM 452 CG ASP B 10 2.336 4.439 -15.350 1.00 0.00 C ATOM 453 OD1 ASP B 10 2.942 3.764 -16.166 1.00 0.00 O ATOM 454 OD2 ASP B 10 1.968 5.584 -15.550 1.00 0.00 O ATOM 0 H ASP B 10 -0.050 3.095 -15.193 1.00 0.00 H new ATOM 0 HA ASP B 10 2.455 1.843 -14.750 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.192 4.337 -13.519 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.881 3.909 -13.327 1.00 0.00 H new ATOM 459 N LEU B 11 0.522 1.979 -12.059 1.00 0.00 N ATOM 460 CA LEU B 11 0.370 1.352 -10.715 1.00 0.00 C ATOM 461 C LEU B 11 -0.101 -0.092 -10.886 1.00 0.00 C ATOM 462 O LEU B 11 0.183 -0.952 -10.074 1.00 0.00 O ATOM 463 CB LEU B 11 -0.665 2.140 -9.893 1.00 0.00 C ATOM 464 CG LEU B 11 -0.387 2.084 -8.369 1.00 0.00 C ATOM 465 CD1 LEU B 11 -1.506 1.306 -7.680 1.00 0.00 C ATOM 466 CD2 LEU B 11 0.951 1.404 -8.052 1.00 0.00 C ATOM 0 H LEU B 11 -0.211 2.639 -12.319 1.00 0.00 H new ATOM 0 HA LEU B 11 1.327 1.365 -10.193 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.667 3.180 -10.220 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.660 1.742 -10.092 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.342 3.110 -8.005 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.314 1.265 -6.608 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.459 1.804 -7.859 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.545 0.293 -8.081 1.00 0.00 H new ATOM 0 HD21 LEU B 11 1.104 1.387 -6.973 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.939 0.383 -8.433 1.00 0.00 H new ATOM 0 HD23 LEU B 11 1.762 1.958 -8.525 1.00 0.00 H new ATOM 478 N VAL B 12 -0.816 -0.364 -11.942 1.00 0.00 N ATOM 479 CA VAL B 12 -1.303 -1.748 -12.172 1.00 0.00 C ATOM 480 C VAL B 12 -0.142 -2.595 -12.696 1.00 0.00 C ATOM 481 O VAL B 12 0.207 -3.607 -12.124 1.00 0.00 O ATOM 482 CB VAL B 12 -2.446 -1.710 -13.191 1.00 0.00 C ATOM 483 CG1 VAL B 12 -2.594 -3.072 -13.877 1.00 0.00 C ATOM 484 CG2 VAL B 12 -3.751 -1.363 -12.471 1.00 0.00 C ATOM 0 H VAL B 12 -1.083 0.315 -12.655 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.673 -2.186 -11.245 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.223 -0.956 -13.946 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.410 -3.029 -14.598 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.667 -3.322 -14.393 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.810 -3.835 -13.129 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.568 -1.335 -13.192 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.961 -2.119 -11.714 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.655 -0.388 -11.993 1.00 0.00 H new ATOM 494 N GLU B 13 0.472 -2.181 -13.771 1.00 0.00 N ATOM 495 CA GLU B 13 1.619 -2.960 -14.306 1.00 0.00 C ATOM 496 C GLU B 13 2.601 -3.216 -13.165 1.00 0.00 C ATOM 497 O GLU B 13 3.379 -4.149 -13.194 1.00 0.00 O ATOM 498 CB GLU B 13 2.313 -2.168 -15.415 1.00 0.00 C ATOM 499 CG GLU B 13 1.482 -2.255 -16.697 1.00 0.00 C ATOM 500 CD GLU B 13 2.394 -2.614 -17.872 1.00 0.00 C ATOM 501 OE1 GLU B 13 3.004 -3.669 -17.822 1.00 0.00 O ATOM 502 OE2 GLU B 13 2.467 -1.826 -18.801 1.00 0.00 O ATOM 0 H GLU B 13 0.229 -1.342 -14.298 1.00 0.00 H new ATOM 0 HA GLU B 13 1.267 -3.905 -14.719 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.431 -1.127 -15.115 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.313 -2.565 -15.589 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.701 -3.007 -16.586 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.985 -1.304 -16.886 1.00 0.00 H new ATOM 509 N ALA B 14 2.559 -2.393 -12.151 1.00 0.00 N ATOM 510 CA ALA B 14 3.476 -2.586 -10.996 1.00 0.00 C ATOM 511 C ALA B 14 3.037 -3.828 -10.219 1.00 0.00 C ATOM 512 O ALA B 14 3.748 -4.807 -10.150 1.00 0.00 O ATOM 513 CB ALA B 14 3.413 -1.359 -10.085 1.00 0.00 C ATOM 0 H ALA B 14 1.928 -1.595 -12.075 1.00 0.00 H new ATOM 0 HA ALA B 14 4.499 -2.716 -11.350 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.085 -1.500 -9.238 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.715 -0.474 -10.645 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.394 -1.228 -9.722 1.00 0.00 H new ATOM 519 N LEU B 15 1.864 -3.800 -9.643 1.00 0.00 N ATOM 520 CA LEU B 15 1.386 -4.991 -8.885 1.00 0.00 C ATOM 521 C LEU B 15 1.634 -6.249 -9.719 1.00 0.00 C ATOM 522 O LEU B 15 2.169 -7.230 -9.242 1.00 0.00 O ATOM 523 CB LEU B 15 -0.112 -4.850 -8.606 1.00 0.00 C ATOM 524 CG LEU B 15 -0.343 -3.720 -7.601 1.00 0.00 C ATOM 525 CD1 LEU B 15 -1.705 -3.073 -7.860 1.00 0.00 C ATOM 526 CD2 LEU B 15 -0.315 -4.290 -6.181 1.00 0.00 C ATOM 0 H LEU B 15 1.221 -3.009 -9.665 1.00 0.00 H new ATOM 0 HA LEU B 15 1.924 -5.066 -7.940 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.647 -4.641 -9.533 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.509 -5.786 -8.213 1.00 0.00 H new ATOM 0 HG LEU B 15 0.441 -2.971 -7.712 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.868 -2.268 -7.143 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.729 -2.668 -8.872 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.490 -3.821 -7.750 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.479 -3.486 -5.463 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.100 -5.039 -6.074 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.654 -4.752 -5.993 1.00 0.00 H new ATOM 538 N TYR B 16 1.251 -6.225 -10.967 1.00 0.00 N ATOM 539 CA TYR B 16 1.463 -7.413 -11.841 1.00 0.00 C ATOM 540 C TYR B 16 2.935 -7.833 -11.795 1.00 0.00 C ATOM 541 O TYR B 16 3.261 -8.998 -11.911 1.00 0.00 O ATOM 542 CB TYR B 16 1.085 -7.057 -13.281 1.00 0.00 C ATOM 543 CG TYR B 16 -0.138 -7.849 -13.695 1.00 0.00 C ATOM 544 CD1 TYR B 16 -0.179 -9.237 -13.494 1.00 0.00 C ATOM 545 CD2 TYR B 16 -1.233 -7.197 -14.283 1.00 0.00 C ATOM 546 CE1 TYR B 16 -1.309 -9.969 -13.879 1.00 0.00 C ATOM 547 CE2 TYR B 16 -2.362 -7.932 -14.668 1.00 0.00 C ATOM 548 CZ TYR B 16 -2.399 -9.317 -14.466 1.00 0.00 C ATOM 549 OH TYR B 16 -3.512 -10.040 -14.847 1.00 0.00 O ATOM 0 H TYR B 16 0.799 -5.431 -11.420 1.00 0.00 H new ATOM 0 HA TYR B 16 0.841 -8.235 -11.488 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.884 -5.989 -13.361 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.917 -7.276 -13.951 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.662 -9.742 -13.042 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -1.205 -6.129 -14.439 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -1.339 -11.037 -13.723 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.204 -7.430 -15.121 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.177 -9.435 -15.237 1.00 0.00 H new ATOM 559 N LEU B 17 3.829 -6.893 -11.635 1.00 0.00 N ATOM 560 CA LEU B 17 5.279 -7.238 -11.592 1.00 0.00 C ATOM 561 C LEU B 17 5.755 -7.309 -10.140 1.00 0.00 C ATOM 562 O LEU B 17 6.695 -8.008 -9.815 1.00 0.00 O ATOM 563 CB LEU B 17 6.080 -6.165 -12.335 1.00 0.00 C ATOM 564 CG LEU B 17 6.616 -6.737 -13.649 1.00 0.00 C ATOM 565 CD1 LEU B 17 5.487 -6.802 -14.679 1.00 0.00 C ATOM 566 CD2 LEU B 17 7.734 -5.836 -14.179 1.00 0.00 C ATOM 0 H LEU B 17 3.617 -5.901 -11.532 1.00 0.00 H new ATOM 0 HA LEU B 17 5.430 -8.207 -12.068 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.448 -5.300 -12.535 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.906 -5.820 -11.714 1.00 0.00 H new ATOM 0 HG LEU B 17 7.006 -7.740 -13.474 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.871 -7.210 -15.614 1.00 0.00 H new ATOM 0 HD12 LEU B 17 4.689 -7.443 -14.304 1.00 0.00 H new ATOM 0 HD13 LEU B 17 5.096 -5.800 -14.854 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.116 -6.243 -15.115 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.342 -4.834 -14.352 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.541 -5.789 -13.448 1.00 0.00 H new ATOM 578 N VAL B 18 5.116 -6.586 -9.268 1.00 0.00 N ATOM 579 CA VAL B 18 5.526 -6.600 -7.837 1.00 0.00 C ATOM 580 C VAL B 18 5.458 -8.029 -7.297 1.00 0.00 C ATOM 581 O VAL B 18 6.462 -8.626 -6.964 1.00 0.00 O ATOM 582 CB VAL B 18 4.582 -5.709 -7.028 1.00 0.00 C ATOM 583 CG1 VAL B 18 4.848 -5.908 -5.535 1.00 0.00 C ATOM 584 CG2 VAL B 18 4.824 -4.245 -7.398 1.00 0.00 C ATOM 0 H VAL B 18 4.323 -5.982 -9.485 1.00 0.00 H new ATOM 0 HA VAL B 18 6.547 -6.227 -7.751 1.00 0.00 H new ATOM 0 HB VAL B 18 3.549 -5.975 -7.251 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.176 -5.273 -4.958 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.678 -6.952 -5.271 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.881 -5.641 -5.311 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.152 -3.608 -6.822 1.00 0.00 H new ATOM 0 HG22 VAL B 18 5.857 -3.979 -7.174 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.636 -4.103 -8.462 1.00 0.00 H new ATOM 594 N CYS B 19 4.281 -8.581 -7.203 1.00 0.00 N ATOM 595 CA CYS B 19 4.152 -9.969 -6.679 1.00 0.00 C ATOM 596 C CYS B 19 3.928 -10.942 -7.837 1.00 0.00 C ATOM 597 O CYS B 19 4.847 -11.585 -8.307 1.00 0.00 O ATOM 598 CB CYS B 19 2.966 -10.042 -5.717 1.00 0.00 C ATOM 599 SG CYS B 19 3.511 -9.574 -4.058 1.00 0.00 S ATOM 0 H CYS B 19 3.404 -8.132 -7.466 1.00 0.00 H new ATOM 0 HA CYS B 19 5.067 -10.241 -6.153 1.00 0.00 H new ATOM 0 HB2 CYS B 19 2.170 -9.377 -6.052 1.00 0.00 H new ATOM 0 HB3 CYS B 19 2.554 -11.051 -5.706 1.00 0.00 H new ATOM 604 N GLY B 20 2.714 -11.063 -8.298 1.00 0.00 N ATOM 605 CA GLY B 20 2.434 -12.002 -9.421 1.00 0.00 C ATOM 606 C GLY B 20 2.096 -13.379 -8.849 1.00 0.00 C ATOM 607 O GLY B 20 0.968 -13.825 -8.906 1.00 0.00 O ATOM 0 H GLY B 20 1.904 -10.553 -7.946 1.00 0.00 H new ATOM 0 HA2 GLY B 20 1.605 -11.631 -10.023 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.300 -12.070 -10.079 1.00 0.00 H new ATOM 611 N GLU B 21 3.065 -14.055 -8.291 1.00 0.00 N ATOM 612 CA GLU B 21 2.793 -15.400 -7.708 1.00 0.00 C ATOM 613 C GLU B 21 1.652 -15.287 -6.698 1.00 0.00 C ATOM 614 O GLU B 21 0.574 -15.807 -6.901 1.00 0.00 O ATOM 615 CB GLU B 21 4.048 -15.914 -6.997 1.00 0.00 C ATOM 616 CG GLU B 21 5.171 -16.114 -8.016 1.00 0.00 C ATOM 617 CD GLU B 21 6.520 -16.112 -7.293 1.00 0.00 C ATOM 618 OE1 GLU B 21 6.922 -17.165 -6.829 1.00 0.00 O ATOM 619 OE2 GLU B 21 7.127 -15.056 -7.216 1.00 0.00 O ATOM 0 H GLU B 21 4.030 -13.735 -8.214 1.00 0.00 H new ATOM 0 HA GLU B 21 2.517 -16.093 -8.503 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.361 -15.204 -6.231 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.831 -16.855 -6.490 1.00 0.00 H new ATOM 0 HG2 GLU B 21 5.032 -17.056 -8.547 1.00 0.00 H new ATOM 0 HG3 GLU B 21 5.145 -15.320 -8.763 1.00 0.00 H new ATOM 626 N ARG B 22 1.882 -14.605 -5.609 1.00 0.00 N ATOM 627 CA ARG B 22 0.813 -14.451 -4.583 1.00 0.00 C ATOM 628 C ARG B 22 -0.433 -13.849 -5.238 1.00 0.00 C ATOM 629 O ARG B 22 -1.546 -14.092 -4.816 1.00 0.00 O ATOM 630 CB ARG B 22 1.305 -13.520 -3.474 1.00 0.00 C ATOM 631 CG ARG B 22 2.037 -14.337 -2.407 1.00 0.00 C ATOM 632 CD ARG B 22 2.747 -13.390 -1.438 1.00 0.00 C ATOM 633 NE ARG B 22 1.933 -13.248 -0.198 1.00 0.00 N ATOM 634 CZ ARG B 22 2.465 -12.738 0.881 1.00 0.00 C ATOM 635 NH1 ARG B 22 3.052 -11.574 0.830 1.00 0.00 N ATOM 636 NH2 ARG B 22 2.411 -13.394 2.007 1.00 0.00 N ATOM 0 H ARG B 22 2.766 -14.147 -5.386 1.00 0.00 H new ATOM 0 HA ARG B 22 0.569 -15.425 -4.159 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.972 -12.764 -3.889 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.462 -12.992 -3.028 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.329 -14.965 -1.866 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.760 -15.003 -2.877 1.00 0.00 H new ATOM 0 HD2 ARG B 22 3.737 -13.776 -1.194 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.891 -12.416 -1.905 1.00 0.00 H new ATOM 0 HE ARG B 22 0.959 -13.550 -0.191 1.00 0.00 H new ATOM 0 HH11 ARG B 22 3.095 -11.063 -0.052 1.00 0.00 H new ATOM 0 HH12 ARG B 22 3.468 -11.175 1.672 1.00 0.00 H new ATOM 0 HH21 ARG B 22 1.954 -14.305 2.045 1.00 0.00 H new ATOM 0 HH22 ARG B 22 2.826 -12.996 2.849 1.00 0.00 H new ATOM 650 N GLY B 23 -0.252 -13.067 -6.266 1.00 0.00 N ATOM 651 CA GLY B 23 -1.425 -12.451 -6.951 1.00 0.00 C ATOM 652 C GLY B 23 -1.608 -11.011 -6.468 1.00 0.00 C ATOM 653 O GLY B 23 -0.727 -10.431 -5.865 1.00 0.00 O ATOM 0 H GLY B 23 0.657 -12.827 -6.662 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -1.277 -12.466 -8.031 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.325 -13.031 -6.744 1.00 0.00 H new ATOM 657 N PHE B 24 -2.750 -10.433 -6.726 1.00 0.00 N ATOM 658 CA PHE B 24 -2.996 -9.030 -6.283 1.00 0.00 C ATOM 659 C PHE B 24 -4.367 -8.574 -6.799 1.00 0.00 C ATOM 660 O PHE B 24 -4.809 -8.982 -7.854 1.00 0.00 O ATOM 661 CB PHE B 24 -1.873 -8.111 -6.819 1.00 0.00 C ATOM 662 CG PHE B 24 -2.311 -7.383 -8.087 1.00 0.00 C ATOM 663 CD1 PHE B 24 -3.211 -6.303 -8.005 1.00 0.00 C ATOM 664 CD2 PHE B 24 -1.823 -7.784 -9.340 1.00 0.00 C ATOM 665 CE1 PHE B 24 -3.615 -5.636 -9.169 1.00 0.00 C ATOM 666 CE2 PHE B 24 -2.231 -7.113 -10.501 1.00 0.00 C ATOM 667 CZ PHE B 24 -3.125 -6.041 -10.415 1.00 0.00 C ATOM 0 H PHE B 24 -3.524 -10.872 -7.225 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.993 -8.975 -5.194 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.600 -7.383 -6.055 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.983 -8.704 -7.027 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -3.590 -5.989 -7.044 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -1.132 -8.611 -9.410 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.306 -4.808 -9.104 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -1.854 -7.424 -11.464 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.437 -5.526 -11.311 1.00 0.00 H new ATOM 677 N PHE B 25 -5.043 -7.733 -6.066 1.00 0.00 N ATOM 678 CA PHE B 25 -6.377 -7.264 -6.527 1.00 0.00 C ATOM 679 C PHE B 25 -6.476 -5.744 -6.358 1.00 0.00 C ATOM 680 O PHE B 25 -6.225 -5.209 -5.297 1.00 0.00 O ATOM 681 CB PHE B 25 -7.476 -7.961 -5.714 1.00 0.00 C ATOM 682 CG PHE B 25 -7.653 -7.280 -4.375 1.00 0.00 C ATOM 683 CD1 PHE B 25 -6.889 -7.686 -3.272 1.00 0.00 C ATOM 684 CD2 PHE B 25 -8.589 -6.247 -4.237 1.00 0.00 C ATOM 685 CE1 PHE B 25 -7.061 -7.057 -2.032 1.00 0.00 C ATOM 686 CE2 PHE B 25 -8.763 -5.619 -2.998 1.00 0.00 C ATOM 687 CZ PHE B 25 -7.999 -6.025 -1.894 1.00 0.00 C ATOM 0 H PHE B 25 -4.730 -7.353 -5.173 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.506 -7.511 -7.581 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.415 -7.940 -6.267 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.217 -9.009 -5.565 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -6.168 -8.483 -3.378 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -9.177 -5.935 -5.087 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -6.471 -7.367 -1.183 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.485 -4.823 -2.892 1.00 0.00 H new ATOM 0 HZ PHE B 25 -8.134 -5.542 -0.937 1.00 0.00 H new ATOM 697 N TYR B 26 -6.844 -5.050 -7.400 1.00 0.00 N ATOM 698 CA TYR B 26 -6.964 -3.568 -7.307 1.00 0.00 C ATOM 699 C TYR B 26 -7.895 -3.203 -6.148 1.00 0.00 C ATOM 700 O TYR B 26 -8.920 -3.824 -5.944 1.00 0.00 O ATOM 701 CB TYR B 26 -7.545 -3.026 -8.614 1.00 0.00 C ATOM 702 CG TYR B 26 -6.669 -1.911 -9.133 1.00 0.00 C ATOM 703 CD1 TYR B 26 -5.275 -2.057 -9.131 1.00 0.00 C ATOM 704 CD2 TYR B 26 -7.251 -0.732 -9.617 1.00 0.00 C ATOM 705 CE1 TYR B 26 -4.463 -1.022 -9.614 1.00 0.00 C ATOM 706 CE2 TYR B 26 -6.439 0.302 -10.099 1.00 0.00 C ATOM 707 CZ TYR B 26 -5.045 0.157 -10.099 1.00 0.00 C ATOM 708 OH TYR B 26 -4.246 1.176 -10.574 1.00 0.00 O ATOM 0 H TYR B 26 -7.067 -5.446 -8.313 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.980 -3.132 -7.134 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -7.611 -3.824 -9.353 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.558 -2.660 -8.449 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.827 -2.966 -8.758 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -8.325 -0.621 -9.618 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.389 -1.133 -9.612 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.887 1.212 -10.471 1.00 0.00 H new ATOM 0 HH TYR B 26 -4.809 1.921 -10.873 1.00 0.00 H new ATOM 718 N THR B 27 -7.550 -2.198 -5.390 1.00 0.00 N ATOM 719 CA THR B 27 -8.419 -1.795 -4.249 1.00 0.00 C ATOM 720 C THR B 27 -9.380 -0.698 -4.710 1.00 0.00 C ATOM 721 O THR B 27 -9.060 0.100 -5.567 1.00 0.00 O ATOM 722 CB THR B 27 -7.551 -1.267 -3.104 1.00 0.00 C ATOM 723 OG1 THR B 27 -6.613 -0.330 -3.616 1.00 0.00 O ATOM 724 CG2 THR B 27 -6.806 -2.430 -2.447 1.00 0.00 C ATOM 0 H THR B 27 -6.705 -1.640 -5.512 1.00 0.00 H new ATOM 0 HA THR B 27 -8.988 -2.657 -3.901 1.00 0.00 H new ATOM 0 HB THR B 27 -8.185 -0.780 -2.363 1.00 0.00 H new ATOM 0 HG1 THR B 27 -6.058 0.010 -2.884 1.00 0.00 H new ATOM 0 HG21 THR B 27 -6.188 -2.052 -1.632 1.00 0.00 H new ATOM 0 HG22 THR B 27 -7.526 -3.148 -2.054 1.00 0.00 H new ATOM 0 HG23 THR B 27 -6.172 -2.920 -3.186 1.00 0.00 H new ATOM 732 N LYS B 28 -10.559 -0.653 -4.151 1.00 0.00 N ATOM 733 CA LYS B 28 -11.540 0.392 -4.565 1.00 0.00 C ATOM 734 C LYS B 28 -12.167 1.041 -3.325 1.00 0.00 C ATOM 735 O LYS B 28 -13.363 0.970 -3.131 1.00 0.00 O ATOM 736 CB LYS B 28 -12.641 -0.255 -5.409 1.00 0.00 C ATOM 737 CG LYS B 28 -12.853 0.558 -6.688 1.00 0.00 C ATOM 738 CD LYS B 28 -14.327 0.955 -6.802 1.00 0.00 C ATOM 739 CE LYS B 28 -15.104 -0.156 -7.511 1.00 0.00 C ATOM 740 NZ LYS B 28 -15.983 -0.851 -6.530 1.00 0.00 N ATOM 0 H LYS B 28 -10.885 -1.293 -3.427 1.00 0.00 H new ATOM 0 HA LYS B 28 -11.026 1.156 -5.149 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -12.367 -1.280 -5.659 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -13.569 -0.303 -4.839 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.225 1.449 -6.673 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.555 -0.028 -7.558 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -14.745 1.129 -5.810 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.421 1.889 -7.356 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -15.703 0.263 -8.319 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -14.412 -0.867 -7.963 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -16.511 -1.606 -7.012 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -15.401 -1.264 -5.774 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -16.652 -0.169 -6.119 1.00 0.00 H new ATOM 754 N PRO B 29 -11.337 1.662 -2.526 1.00 0.00 N ATOM 755 CA PRO B 29 -11.778 2.342 -1.296 1.00 0.00 C ATOM 756 C PRO B 29 -12.382 3.708 -1.631 1.00 0.00 C ATOM 757 O PRO B 29 -11.796 4.501 -2.341 1.00 0.00 O ATOM 758 CB PRO B 29 -10.487 2.501 -0.491 1.00 0.00 C ATOM 759 CG PRO B 29 -9.325 2.434 -1.512 1.00 0.00 C ATOM 760 CD PRO B 29 -9.882 1.740 -2.770 1.00 0.00 C ATOM 0 HA PRO B 29 -12.547 1.792 -0.754 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -10.478 3.450 0.046 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -10.395 1.712 0.255 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -8.961 3.433 -1.750 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -8.482 1.877 -1.103 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -9.659 2.311 -3.671 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.447 0.750 -2.904 1.00 0.00 H new ATOM 768 N THR B 30 -13.552 3.988 -1.125 1.00 0.00 N ATOM 769 CA THR B 30 -14.196 5.301 -1.414 1.00 0.00 C ATOM 770 C THR B 30 -13.311 6.432 -0.886 1.00 0.00 C ATOM 771 O THR B 30 -12.313 6.723 -1.523 1.00 0.00 O ATOM 772 CB THR B 30 -15.563 5.359 -0.728 1.00 0.00 C ATOM 773 OG1 THR B 30 -16.149 6.635 -0.949 1.00 0.00 O ATOM 774 CG2 THR B 30 -15.392 5.127 0.774 1.00 0.00 C ATOM 775 OXT THR B 30 -13.648 6.987 0.147 1.00 0.00 O ATOM 0 H THR B 30 -14.090 3.364 -0.524 1.00 0.00 H new ATOM 0 HA THR B 30 -14.324 5.414 -2.491 1.00 0.00 H new ATOM 0 HB THR B 30 -16.210 4.586 -1.141 1.00 0.00 H new ATOM 0 HG1 THR B 30 -17.025 6.673 -0.511 1.00 0.00 H new ATOM 0 HG21 THR B 30 -16.366 5.168 1.262 1.00 0.00 H new ATOM 0 HG22 THR B 30 -14.943 4.148 0.942 1.00 0.00 H new ATOM 0 HG23 THR B 30 -14.745 5.899 1.190 1.00 0.00 H new TER 783 THR B 30