USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 380 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 6 SER OG : rot -156:sc= 0.221 USER MOD Set 1.2: B 4 GLN : amide:sc= -1.44 K(o=-10,f=-9.2) USER MOD Set 1.3: B 5 HIS : no HD1:sc= -8.98! C(o=-10!,f=-15!) USER MOD Set 2.1: A 8 THR OG1 : rot 180:sc= -0.916 USER MOD Set 2.2: A 12 SER OG : rot -95:sc= 0.604 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -56:sc= 1.01 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 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -4.14! K(o=-4.1!,f=-1) USER MOD Single : B 1 PHE N :NH3+ 161:sc= 0.477 (180deg=0.381) USER MOD Single : B 3 ASN : amide:sc= -0.0384 X(o=-0.038,f=0.39) 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 56:sc= 0.101 USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.819! USER MOD Single : B 28 LYS NZ :NH3+ 156:sc= -0.0218 (180deg=-0.249) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.561 6.605 12.338 1.00 0.00 N ATOM 2 CA GLY A 1 -3.509 6.075 11.262 1.00 0.00 C ATOM 3 C GLY A 1 -2.953 5.572 9.974 1.00 0.00 C ATOM 4 O GLY A 1 -1.759 5.400 9.826 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.112 6.913 13.165 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.902 5.852 12.622 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.023 7.411 11.960 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.086 5.264 11.707 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.212 6.874 11.024 1.00 0.00 H new ATOM 10 N ILE A 2 -3.799 5.322 9.013 1.00 0.00 N ATOM 11 CA ILE A 2 -3.310 4.814 7.700 1.00 0.00 C ATOM 12 C ILE A 2 -3.785 5.747 6.583 1.00 0.00 C ATOM 13 O ILE A 2 -4.249 6.842 6.834 1.00 0.00 O ATOM 14 CB ILE A 2 -3.852 3.401 7.462 1.00 0.00 C ATOM 15 CG1 ILE A 2 -5.223 3.251 8.135 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.875 2.376 8.044 1.00 0.00 C ATOM 17 CD1 ILE A 2 -5.047 3.066 9.645 1.00 0.00 C ATOM 0 H ILE A 2 -4.809 5.448 9.080 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.220 4.783 7.704 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.960 3.230 6.391 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -5.833 4.132 7.937 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -5.752 2.396 7.715 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.260 1.370 7.875 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.905 2.480 7.557 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.763 2.547 9.115 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.025 2.960 10.115 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.454 2.171 9.835 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.536 3.935 10.061 1.00 0.00 H new ATOM 29 N VAL A 3 -3.657 5.322 5.353 1.00 0.00 N ATOM 30 CA VAL A 3 -4.083 6.172 4.199 1.00 0.00 C ATOM 31 C VAL A 3 -5.335 6.972 4.551 1.00 0.00 C ATOM 32 O VAL A 3 -6.362 6.425 4.902 1.00 0.00 O ATOM 33 CB VAL A 3 -4.385 5.282 2.996 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.113 4.556 2.571 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.455 4.259 3.375 1.00 0.00 C ATOM 0 H VAL A 3 -3.272 4.413 5.095 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.275 6.864 3.963 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.747 5.895 2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.327 3.920 1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.350 5.286 2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.752 3.942 3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.671 3.623 2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.095 3.644 4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.364 4.779 3.679 1.00 0.00 H new ATOM 45 N GLU A 4 -5.255 8.268 4.448 1.00 0.00 N ATOM 46 CA GLU A 4 -6.431 9.121 4.759 1.00 0.00 C ATOM 47 C GLU A 4 -6.520 10.238 3.721 1.00 0.00 C ATOM 48 O GLU A 4 -7.254 11.192 3.884 1.00 0.00 O ATOM 49 CB GLU A 4 -6.268 9.729 6.153 1.00 0.00 C ATOM 50 CG GLU A 4 -7.541 9.491 6.967 1.00 0.00 C ATOM 51 CD GLU A 4 -7.281 9.832 8.435 1.00 0.00 C ATOM 52 OE1 GLU A 4 -6.132 9.780 8.840 1.00 0.00 O ATOM 53 OE2 GLU A 4 -8.237 10.139 9.129 1.00 0.00 O ATOM 0 H GLU A 4 -4.419 8.775 4.159 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.340 8.520 4.735 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.412 9.282 6.658 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.069 10.798 6.074 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.353 10.105 6.579 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.855 8.451 6.875 1.00 0.00 H new ATOM 60 N GLN A 5 -5.774 10.130 2.652 1.00 0.00 N ATOM 61 CA GLN A 5 -5.821 11.197 1.607 1.00 0.00 C ATOM 62 C GLN A 5 -5.113 10.719 0.340 1.00 0.00 C ATOM 63 O GLN A 5 -5.686 10.025 -0.477 1.00 0.00 O ATOM 64 CB GLN A 5 -5.139 12.467 2.129 1.00 0.00 C ATOM 65 CG GLN A 5 -4.081 12.100 3.175 1.00 0.00 C ATOM 66 CD GLN A 5 -3.596 13.372 3.872 1.00 0.00 C ATOM 67 OE1 GLN A 5 -4.202 13.826 4.822 1.00 0.00 O ATOM 68 NE2 GLN A 5 -2.521 13.971 3.437 1.00 0.00 N ATOM 0 H GLN A 5 -5.139 9.356 2.458 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.863 11.417 1.373 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.675 13.006 1.303 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.881 13.134 2.568 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.500 11.409 3.906 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.243 11.591 2.698 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.012 13.590 2.639 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.190 14.820 3.895 1.00 0.00 H new ATOM 77 N SER A 6 -3.868 11.068 0.172 1.00 0.00 N ATOM 78 CA SER A 6 -3.128 10.618 -1.031 1.00 0.00 C ATOM 79 C SER A 6 -2.820 9.137 -0.873 1.00 0.00 C ATOM 80 O SER A 6 -2.305 8.495 -1.771 1.00 0.00 O ATOM 81 CB SER A 6 -1.823 11.407 -1.130 1.00 0.00 C ATOM 82 OG SER A 6 -1.938 12.601 -0.365 1.00 0.00 O ATOM 0 H SER A 6 -3.333 11.647 0.820 1.00 0.00 H new ATOM 0 HA SER A 6 -3.719 10.781 -1.933 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.992 10.805 -0.763 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.608 11.647 -2.171 1.00 0.00 H new ATOM 0 HG SER A 6 -1.306 13.269 -0.704 1.00 0.00 H new ATOM 88 N CYS A 7 -3.102 8.599 0.289 1.00 0.00 N ATOM 89 CA CYS A 7 -2.792 7.174 0.550 1.00 0.00 C ATOM 90 C CYS A 7 -1.295 7.108 0.864 1.00 0.00 C ATOM 91 O CYS A 7 -0.738 6.059 1.118 1.00 0.00 O ATOM 92 CB CYS A 7 -3.096 6.359 -0.697 1.00 0.00 C ATOM 93 SG CYS A 7 -3.990 4.855 -0.249 1.00 0.00 S ATOM 0 H CYS A 7 -3.536 9.095 1.067 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.384 6.776 1.374 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.690 6.951 -1.393 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.168 6.102 -1.209 1.00 0.00 H new ATOM 98 N THR A 8 -0.661 8.261 0.846 1.00 0.00 N ATOM 99 CA THR A 8 0.785 8.388 1.128 1.00 0.00 C ATOM 100 C THR A 8 1.541 7.095 0.864 1.00 0.00 C ATOM 101 O THR A 8 1.960 6.418 1.778 1.00 0.00 O ATOM 102 CB THR A 8 0.973 8.806 2.580 1.00 0.00 C ATOM 103 OG1 THR A 8 0.354 7.860 3.443 1.00 0.00 O ATOM 104 CG2 THR A 8 0.329 10.171 2.762 1.00 0.00 C ATOM 0 H THR A 8 -1.119 9.148 0.637 1.00 0.00 H new ATOM 0 HA THR A 8 1.193 9.143 0.456 1.00 0.00 H new ATOM 0 HB THR A 8 2.034 8.851 2.825 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.481 8.135 4.375 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.449 10.495 3.796 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.808 10.891 2.098 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.733 10.107 2.523 1.00 0.00 H new ATOM 112 N SER A 9 1.773 6.765 -0.376 1.00 0.00 N ATOM 113 CA SER A 9 2.554 5.534 -0.660 1.00 0.00 C ATOM 114 C SER A 9 3.811 5.577 0.210 1.00 0.00 C ATOM 115 O SER A 9 4.424 4.568 0.498 1.00 0.00 O ATOM 116 CB SER A 9 2.944 5.497 -2.139 1.00 0.00 C ATOM 117 OG SER A 9 3.751 4.352 -2.385 1.00 0.00 O ATOM 0 H SER A 9 1.460 7.288 -1.194 1.00 0.00 H new ATOM 0 HA SER A 9 1.965 4.644 -0.439 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.050 5.466 -2.762 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.488 6.403 -2.406 1.00 0.00 H new ATOM 0 HG SER A 9 4.001 4.325 -3.332 1.00 0.00 H new ATOM 123 N ILE A 10 4.184 6.755 0.643 1.00 0.00 N ATOM 124 CA ILE A 10 5.381 6.904 1.510 1.00 0.00 C ATOM 125 C ILE A 10 4.936 6.875 2.970 1.00 0.00 C ATOM 126 O ILE A 10 3.764 6.993 3.267 1.00 0.00 O ATOM 127 CB ILE A 10 6.034 8.252 1.210 1.00 0.00 C ATOM 128 CG1 ILE A 10 6.335 8.345 -0.284 1.00 0.00 C ATOM 129 CG2 ILE A 10 7.329 8.404 2.002 1.00 0.00 C ATOM 130 CD1 ILE A 10 6.677 9.791 -0.651 1.00 0.00 C ATOM 0 H ILE A 10 3.701 7.627 0.427 1.00 0.00 H new ATOM 0 HA ILE A 10 6.089 6.097 1.323 1.00 0.00 H new ATOM 0 HB ILE A 10 5.350 9.050 1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.167 7.688 -0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.474 8.007 -0.860 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.782 9.370 1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.112 8.345 3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.019 7.607 1.727 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.891 9.855 -1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.832 10.437 -0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.551 10.113 -0.085 1.00 0.00 H new ATOM 142 N SER A 11 5.865 6.730 3.876 1.00 0.00 N ATOM 143 CA SER A 11 5.516 6.695 5.333 1.00 0.00 C ATOM 144 C SER A 11 4.155 6.019 5.530 1.00 0.00 C ATOM 145 O SER A 11 3.393 6.376 6.407 1.00 0.00 O ATOM 146 CB SER A 11 5.456 8.122 5.878 1.00 0.00 C ATOM 147 OG SER A 11 5.155 8.081 7.268 1.00 0.00 O ATOM 0 H SER A 11 6.860 6.633 3.671 1.00 0.00 H new ATOM 0 HA SER A 11 6.279 6.129 5.868 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.408 8.626 5.715 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.697 8.695 5.346 1.00 0.00 H new ATOM 0 HG SER A 11 4.323 7.583 7.408 1.00 0.00 H new ATOM 153 N SER A 12 3.846 5.042 4.721 1.00 0.00 N ATOM 154 CA SER A 12 2.542 4.344 4.857 1.00 0.00 C ATOM 155 C SER A 12 2.625 2.993 4.147 1.00 0.00 C ATOM 156 O SER A 12 1.981 2.038 4.545 1.00 0.00 O ATOM 157 CB SER A 12 1.424 5.182 4.233 1.00 0.00 C ATOM 158 OG SER A 12 1.098 4.656 2.953 1.00 0.00 O ATOM 0 H SER A 12 4.445 4.698 3.970 1.00 0.00 H new ATOM 0 HA SER A 12 2.321 4.197 5.914 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.545 5.173 4.877 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.741 6.221 4.142 1.00 0.00 H new ATOM 0 HG SER A 12 1.591 5.146 2.263 1.00 0.00 H new ATOM 164 N LEU A 13 3.403 2.878 3.096 1.00 0.00 N ATOM 165 CA LEU A 13 3.468 1.555 2.442 1.00 0.00 C ATOM 166 C LEU A 13 4.188 0.598 3.383 1.00 0.00 C ATOM 167 O LEU A 13 4.165 -0.603 3.200 1.00 0.00 O ATOM 168 CB LEU A 13 4.119 1.608 1.039 1.00 0.00 C ATOM 169 CG LEU A 13 5.646 1.822 1.063 1.00 0.00 C ATOM 170 CD1 LEU A 13 6.356 0.764 1.910 1.00 0.00 C ATOM 171 CD2 LEU A 13 6.161 1.692 -0.370 1.00 0.00 C ATOM 0 H LEU A 13 3.971 3.618 2.683 1.00 0.00 H new ATOM 0 HA LEU A 13 2.455 1.196 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.901 0.678 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.659 2.413 0.466 1.00 0.00 H new ATOM 0 HG LEU A 13 5.849 2.803 1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.430 0.951 1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.988 0.812 2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.156 -0.225 1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.241 1.839 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.925 0.699 -0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.685 2.445 -0.998 1.00 0.00 H new ATOM 183 N TYR A 14 4.791 1.113 4.424 1.00 0.00 N ATOM 184 CA TYR A 14 5.443 0.207 5.398 1.00 0.00 C ATOM 185 C TYR A 14 4.326 -0.687 5.908 1.00 0.00 C ATOM 186 O TYR A 14 4.501 -1.856 6.186 1.00 0.00 O ATOM 187 CB TYR A 14 6.043 1.017 6.551 1.00 0.00 C ATOM 188 CG TYR A 14 7.293 0.337 7.058 1.00 0.00 C ATOM 189 CD1 TYR A 14 8.342 0.042 6.176 1.00 0.00 C ATOM 190 CD2 TYR A 14 7.406 0.005 8.415 1.00 0.00 C ATOM 191 CE1 TYR A 14 9.502 -0.586 6.652 1.00 0.00 C ATOM 192 CE2 TYR A 14 8.565 -0.622 8.890 1.00 0.00 C ATOM 193 CZ TYR A 14 9.613 -0.918 8.009 1.00 0.00 C ATOM 194 OH TYR A 14 10.754 -1.535 8.480 1.00 0.00 O ATOM 0 H TYR A 14 4.857 2.109 4.635 1.00 0.00 H new ATOM 0 HA TYR A 14 6.256 -0.365 4.951 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.278 2.027 6.214 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.316 1.111 7.358 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.257 0.298 5.130 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.599 0.233 9.095 1.00 0.00 H new ATOM 0 HE1 TYR A 14 10.310 -0.814 5.973 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.651 -0.877 9.936 1.00 0.00 H new ATOM 0 HH TYR A 14 10.666 -1.694 9.443 1.00 0.00 H new ATOM 204 N GLN A 15 3.153 -0.119 5.979 1.00 0.00 N ATOM 205 CA GLN A 15 1.953 -0.887 6.412 1.00 0.00 C ATOM 206 C GLN A 15 1.524 -1.778 5.247 1.00 0.00 C ATOM 207 O GLN A 15 0.946 -2.828 5.426 1.00 0.00 O ATOM 208 CB GLN A 15 0.826 0.086 6.753 1.00 0.00 C ATOM 209 CG GLN A 15 0.036 -0.449 7.948 1.00 0.00 C ATOM 210 CD GLN A 15 0.647 0.086 9.243 1.00 0.00 C ATOM 211 OE1 GLN A 15 0.295 1.156 9.698 1.00 0.00 O ATOM 212 NE2 GLN A 15 1.556 -0.619 9.860 1.00 0.00 N ATOM 0 H GLN A 15 2.974 0.859 5.752 1.00 0.00 H new ATOM 0 HA GLN A 15 2.178 -1.491 7.291 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.237 1.068 6.985 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.167 0.211 5.894 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.008 -0.145 7.873 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.051 -1.539 7.949 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.851 -1.517 9.478 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.971 -0.272 10.725 1.00 0.00 H new ATOM 221 N LEU A 16 1.825 -1.348 4.052 1.00 0.00 N ATOM 222 CA LEU A 16 1.484 -2.141 2.827 1.00 0.00 C ATOM 223 C LEU A 16 2.234 -3.476 2.860 1.00 0.00 C ATOM 224 O LEU A 16 1.883 -4.411 2.168 1.00 0.00 O ATOM 225 CB LEU A 16 1.928 -1.355 1.585 1.00 0.00 C ATOM 226 CG LEU A 16 0.877 -1.442 0.474 1.00 0.00 C ATOM 227 CD1 LEU A 16 -0.169 -0.348 0.653 1.00 0.00 C ATOM 228 CD2 LEU A 16 1.552 -1.232 -0.875 1.00 0.00 C ATOM 0 H LEU A 16 2.301 -0.465 3.866 1.00 0.00 H new ATOM 0 HA LEU A 16 0.410 -2.322 2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.095 -0.311 1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.878 -1.747 1.223 1.00 0.00 H new ATOM 0 HG LEU A 16 0.401 -2.422 0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.911 -0.420 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.660 -0.468 1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.314 0.628 0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.807 -1.293 -1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.025 -0.250 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.308 -2.002 -1.027 1.00 0.00 H new ATOM 240 N GLU A 17 3.269 -3.573 3.654 1.00 0.00 N ATOM 241 CA GLU A 17 4.037 -4.851 3.724 1.00 0.00 C ATOM 242 C GLU A 17 3.196 -5.902 4.448 1.00 0.00 C ATOM 243 O GLU A 17 3.507 -7.074 4.444 1.00 0.00 O ATOM 244 CB GLU A 17 5.358 -4.624 4.474 1.00 0.00 C ATOM 245 CG GLU A 17 5.111 -4.636 5.986 1.00 0.00 C ATOM 246 CD GLU A 17 5.632 -5.948 6.576 1.00 0.00 C ATOM 247 OE1 GLU A 17 5.198 -6.994 6.120 1.00 0.00 O ATOM 248 OE2 GLU A 17 6.456 -5.885 7.474 1.00 0.00 O ATOM 0 H GLU A 17 3.614 -2.825 4.255 1.00 0.00 H new ATOM 0 HA GLU A 17 4.262 -5.199 2.716 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.075 -5.401 4.208 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.796 -3.671 4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.613 -3.789 6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.046 -4.529 6.192 1.00 0.00 H new ATOM 255 N ASN A 18 2.126 -5.487 5.057 1.00 0.00 N ATOM 256 CA ASN A 18 1.248 -6.452 5.762 1.00 0.00 C ATOM 257 C ASN A 18 0.027 -6.717 4.895 1.00 0.00 C ATOM 258 O ASN A 18 -0.920 -7.356 5.307 1.00 0.00 O ATOM 259 CB ASN A 18 0.816 -5.877 7.115 1.00 0.00 C ATOM 260 CG ASN A 18 1.127 -6.886 8.223 1.00 0.00 C ATOM 261 OD1 ASN A 18 2.259 -7.008 8.649 1.00 0.00 O ATOM 262 ND2 ASN A 18 0.163 -7.618 8.712 1.00 0.00 N ATOM 0 H ASN A 18 1.820 -4.515 5.097 1.00 0.00 H new ATOM 0 HA ASN A 18 1.787 -7.383 5.940 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.337 -4.939 7.306 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.250 -5.652 7.102 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.360 -8.292 9.452 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.787 -7.516 8.355 1.00 0.00 H new ATOM 269 N TYR A 19 0.046 -6.223 3.691 1.00 0.00 N ATOM 270 CA TYR A 19 -1.100 -6.431 2.781 1.00 0.00 C ATOM 271 C TYR A 19 -0.843 -7.686 1.943 1.00 0.00 C ATOM 272 O TYR A 19 -1.635 -8.053 1.098 1.00 0.00 O ATOM 273 CB TYR A 19 -1.217 -5.226 1.852 1.00 0.00 C ATOM 274 CG TYR A 19 -1.582 -3.973 2.626 1.00 0.00 C ATOM 275 CD1 TYR A 19 -1.434 -3.893 4.026 1.00 0.00 C ATOM 276 CD2 TYR A 19 -2.076 -2.877 1.919 1.00 0.00 C ATOM 277 CE1 TYR A 19 -1.785 -2.714 4.698 1.00 0.00 C ATOM 278 CE2 TYR A 19 -2.427 -1.700 2.592 1.00 0.00 C ATOM 279 CZ TYR A 19 -2.283 -1.619 3.981 1.00 0.00 C ATOM 280 OH TYR A 19 -2.627 -0.458 4.643 1.00 0.00 O ATOM 0 H TYR A 19 0.815 -5.680 3.299 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.019 -6.548 3.355 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.273 -5.072 1.330 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.974 -5.421 1.092 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.051 -4.738 4.579 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.189 -2.936 0.847 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.671 -2.650 5.770 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.809 -0.855 2.039 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.954 0.202 3.997 1.00 0.00 H new ATOM 290 N CYS A 20 0.266 -8.344 2.169 1.00 0.00 N ATOM 291 CA CYS A 20 0.571 -9.578 1.374 1.00 0.00 C ATOM 292 C CYS A 20 -0.279 -10.735 1.897 1.00 0.00 C ATOM 293 O CYS A 20 -0.291 -11.028 3.075 1.00 0.00 O ATOM 294 CB CYS A 20 2.065 -9.980 1.453 1.00 0.00 C ATOM 295 SG CYS A 20 3.043 -8.785 2.397 1.00 0.00 S ATOM 0 H CYS A 20 0.969 -8.086 2.862 1.00 0.00 H new ATOM 0 HA CYS A 20 0.340 -9.359 0.331 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.151 -10.964 1.915 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.471 -10.064 0.445 1.00 0.00 H new ATOM 300 N ASN A 21 -0.990 -11.397 1.026 1.00 0.00 N ATOM 301 CA ASN A 21 -1.840 -12.536 1.469 1.00 0.00 C ATOM 302 C ASN A 21 -0.947 -13.693 1.928 1.00 0.00 C ATOM 303 O ASN A 21 -1.412 -14.820 1.906 1.00 0.00 O ATOM 304 CB ASN A 21 -2.733 -12.991 0.306 1.00 0.00 C ATOM 305 CG ASN A 21 -1.928 -13.842 -0.682 1.00 0.00 C ATOM 306 OD1 ASN A 21 -2.485 -14.663 -1.384 1.00 0.00 O ATOM 307 ND2 ASN A 21 -0.636 -13.684 -0.765 1.00 0.00 N ATOM 308 OXT ASN A 21 0.186 -13.429 2.297 1.00 0.00 O ATOM 0 H ASN A 21 -1.018 -11.198 0.026 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.470 -12.221 2.301 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.576 -13.566 0.689 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.147 -12.122 -0.205 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.094 -14.249 -1.419 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.168 -12.995 -0.176 1.00 0.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 11.450 3.928 -1.999 1.00 0.00 N ATOM 317 CA PHE B 1 10.112 4.552 -1.794 1.00 0.00 C ATOM 318 C PHE B 1 10.226 6.070 -1.957 1.00 0.00 C ATOM 319 O PHE B 1 11.096 6.701 -1.390 1.00 0.00 O ATOM 320 CB PHE B 1 9.610 4.232 -0.385 1.00 0.00 C ATOM 321 CG PHE B 1 9.615 2.737 -0.166 1.00 0.00 C ATOM 322 CD1 PHE B 1 9.272 1.871 -1.213 1.00 0.00 C ATOM 323 CD2 PHE B 1 9.959 2.217 1.089 1.00 0.00 C ATOM 324 CE1 PHE B 1 9.274 0.485 -1.005 1.00 0.00 C ATOM 325 CE2 PHE B 1 9.961 0.831 1.297 1.00 0.00 C ATOM 326 CZ PHE B 1 9.619 -0.035 0.250 1.00 0.00 C ATOM 0 H1 PHE B 1 11.455 2.974 -1.585 1.00 0.00 H new ATOM 0 H2 PHE B 1 11.651 3.865 -3.017 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.179 4.509 -1.538 1.00 0.00 H new ATOM 0 HA PHE B 1 9.412 4.157 -2.530 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.244 4.719 0.356 1.00 0.00 H new ATOM 0 HB3 PHE B 1 8.602 4.625 -0.250 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.006 2.272 -2.180 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.223 2.884 1.896 1.00 0.00 H new ATOM 0 HE1 PHE B 1 9.010 -0.182 -1.812 1.00 0.00 H new ATOM 0 HE2 PHE B 1 10.226 0.430 2.264 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.621 -1.103 0.410 1.00 0.00 H new ATOM 338 N VAL B 2 9.354 6.664 -2.727 1.00 0.00 N ATOM 339 CA VAL B 2 9.416 8.140 -2.923 1.00 0.00 C ATOM 340 C VAL B 2 8.269 8.583 -3.831 1.00 0.00 C ATOM 341 O VAL B 2 8.486 9.075 -4.921 1.00 0.00 O ATOM 342 CB VAL B 2 10.747 8.508 -3.580 1.00 0.00 C ATOM 343 CG1 VAL B 2 10.944 7.659 -4.839 1.00 0.00 C ATOM 344 CG2 VAL B 2 10.733 9.991 -3.963 1.00 0.00 C ATOM 0 H VAL B 2 8.602 6.191 -3.228 1.00 0.00 H new ATOM 0 HA VAL B 2 9.331 8.638 -1.957 1.00 0.00 H new ATOM 0 HB VAL B 2 11.563 8.320 -2.882 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.892 7.920 -5.309 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.951 6.603 -4.568 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.129 7.849 -5.537 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.681 10.255 -4.431 1.00 0.00 H new ATOM 0 HG22 VAL B 2 9.918 10.178 -4.662 1.00 0.00 H new ATOM 0 HG23 VAL B 2 10.590 10.597 -3.068 1.00 0.00 H new ATOM 354 N ASN B 3 7.048 8.412 -3.402 1.00 0.00 N ATOM 355 CA ASN B 3 5.904 8.827 -4.260 1.00 0.00 C ATOM 356 C ASN B 3 4.613 8.896 -3.438 1.00 0.00 C ATOM 357 O ASN B 3 3.719 8.093 -3.614 1.00 0.00 O ATOM 358 CB ASN B 3 5.722 7.807 -5.386 1.00 0.00 C ATOM 359 CG ASN B 3 5.892 8.498 -6.740 1.00 0.00 C ATOM 360 OD1 ASN B 3 7.000 8.703 -7.196 1.00 0.00 O ATOM 361 ND2 ASN B 3 4.834 8.869 -7.409 1.00 0.00 N ATOM 0 H ASN B 3 6.795 8.006 -2.501 1.00 0.00 H new ATOM 0 HA ASN B 3 6.116 9.813 -4.673 1.00 0.00 H new ATOM 0 HB2 ASN B 3 6.451 7.003 -5.283 1.00 0.00 H new ATOM 0 HB3 ASN B 3 4.734 7.351 -5.321 1.00 0.00 H new ATOM 0 HD21 ASN B 3 4.938 9.330 -8.313 1.00 0.00 H new ATOM 0 HD22 ASN B 3 3.904 8.698 -7.028 1.00 0.00 H new ATOM 368 N GLN B 4 4.491 9.856 -2.560 1.00 0.00 N ATOM 369 CA GLN B 4 3.234 9.967 -1.764 1.00 0.00 C ATOM 370 C GLN B 4 2.054 9.936 -2.747 1.00 0.00 C ATOM 371 O GLN B 4 2.259 9.902 -3.944 1.00 0.00 O ATOM 372 CB GLN B 4 3.255 11.279 -0.974 1.00 0.00 C ATOM 373 CG GLN B 4 2.433 11.122 0.304 1.00 0.00 C ATOM 374 CD GLN B 4 2.712 12.302 1.238 1.00 0.00 C ATOM 375 OE1 GLN B 4 2.971 12.115 2.410 1.00 0.00 O ATOM 376 NE2 GLN B 4 2.673 13.517 0.764 1.00 0.00 N ATOM 0 H GLN B 4 5.200 10.562 -2.361 1.00 0.00 H new ATOM 0 HA GLN B 4 3.139 9.145 -1.055 1.00 0.00 H new ATOM 0 HB2 GLN B 4 4.282 11.550 -0.727 1.00 0.00 H new ATOM 0 HB3 GLN B 4 2.849 12.088 -1.582 1.00 0.00 H new ATOM 0 HG2 GLN B 4 1.371 11.078 0.063 1.00 0.00 H new ATOM 0 HG3 GLN B 4 2.686 10.185 0.799 1.00 0.00 H new ATOM 0 HE21 GLN B 4 2.456 13.674 -0.220 1.00 0.00 H new ATOM 0 HE22 GLN B 4 2.860 14.310 1.378 1.00 0.00 H new ATOM 385 N HIS B 5 0.824 9.926 -2.285 1.00 0.00 N ATOM 386 CA HIS B 5 -0.304 9.867 -3.259 1.00 0.00 C ATOM 387 C HIS B 5 -0.182 8.567 -4.031 1.00 0.00 C ATOM 388 O HIS B 5 0.900 8.037 -4.112 1.00 0.00 O ATOM 389 CB HIS B 5 -0.222 11.049 -4.236 1.00 0.00 C ATOM 390 CG HIS B 5 0.592 12.162 -3.631 1.00 0.00 C ATOM 391 ND1 HIS B 5 0.147 12.861 -2.530 1.00 0.00 N ATOM 392 CD2 HIS B 5 1.811 12.675 -3.978 1.00 0.00 C ATOM 393 CE1 HIS B 5 1.094 13.763 -2.240 1.00 0.00 C ATOM 394 NE2 HIS B 5 2.131 13.688 -3.099 1.00 0.00 N ATOM 0 H HIS B 5 0.560 9.955 -1.300 1.00 0.00 H new ATOM 0 HA HIS B 5 -1.257 9.918 -2.732 1.00 0.00 H new ATOM 0 HB2 HIS B 5 0.230 10.726 -5.174 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -1.224 11.407 -4.472 1.00 0.00 H new ATOM 0 HD2 HIS B 5 2.422 12.342 -4.804 1.00 0.00 H new ATOM 0 HE1 HIS B 5 1.034 14.463 -1.420 1.00 0.00 H new ATOM 0 HE2 HIS B 5 2.975 14.261 -3.099 1.00 0.00 H new ATOM 402 N LEU B 6 -1.281 8.069 -4.593 1.00 0.00 N ATOM 403 CA LEU B 6 -1.253 6.793 -5.410 1.00 0.00 C ATOM 404 C LEU B 6 -2.466 5.899 -5.114 1.00 0.00 C ATOM 405 O LEU B 6 -3.157 5.465 -6.030 1.00 0.00 O ATOM 406 CB LEU B 6 0.039 6.014 -5.148 1.00 0.00 C ATOM 407 CG LEU B 6 1.135 6.446 -6.150 1.00 0.00 C ATOM 408 CD1 LEU B 6 1.042 7.949 -6.510 1.00 0.00 C ATOM 409 CD2 LEU B 6 2.497 6.167 -5.519 1.00 0.00 C ATOM 0 H LEU B 6 -2.203 8.499 -4.517 1.00 0.00 H new ATOM 0 HA LEU B 6 -1.294 7.082 -6.460 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.379 6.191 -4.128 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.148 4.944 -5.241 1.00 0.00 H new ATOM 0 HG LEU B 6 0.998 5.880 -7.072 1.00 0.00 H new ATOM 0 HD11 LEU B 6 1.832 8.204 -7.216 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.072 8.156 -6.961 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.156 8.547 -5.606 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.286 6.465 -6.210 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.592 6.734 -4.593 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.587 5.102 -5.303 1.00 0.00 H new ATOM 421 N CYS B 7 -2.691 5.605 -3.860 1.00 0.00 N ATOM 422 CA CYS B 7 -3.837 4.721 -3.431 1.00 0.00 C ATOM 423 C CYS B 7 -4.314 3.799 -4.557 1.00 0.00 C ATOM 424 O CYS B 7 -3.585 3.468 -5.453 1.00 0.00 O ATOM 425 CB CYS B 7 -5.016 5.586 -2.985 1.00 0.00 C ATOM 426 SG CYS B 7 -5.642 4.954 -1.407 1.00 0.00 S ATOM 0 H CYS B 7 -2.117 5.946 -3.089 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.473 4.102 -2.611 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -4.703 6.624 -2.878 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -5.804 5.567 -3.738 1.00 0.00 H new ATOM 431 N GLY B 8 -5.553 3.392 -4.498 1.00 0.00 N ATOM 432 CA GLY B 8 -6.137 2.498 -5.546 1.00 0.00 C ATOM 433 C GLY B 8 -5.061 1.688 -6.284 1.00 0.00 C ATOM 434 O GLY B 8 -4.141 1.153 -5.695 1.00 0.00 O ATOM 0 H GLY B 8 -6.201 3.646 -3.752 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -6.849 1.815 -5.083 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -6.693 3.099 -6.265 1.00 0.00 H new ATOM 438 N SER B 9 -5.208 1.583 -7.577 1.00 0.00 N ATOM 439 CA SER B 9 -4.258 0.795 -8.411 1.00 0.00 C ATOM 440 C SER B 9 -2.798 1.153 -8.139 1.00 0.00 C ATOM 441 O SER B 9 -1.921 0.377 -8.452 1.00 0.00 O ATOM 442 CB SER B 9 -4.563 1.037 -9.890 1.00 0.00 C ATOM 443 OG SER B 9 -4.854 -0.205 -10.518 1.00 0.00 O ATOM 0 H SER B 9 -5.965 2.021 -8.101 1.00 0.00 H new ATOM 0 HA SER B 9 -4.393 -0.255 -8.150 1.00 0.00 H new ATOM 0 HB2 SER B 9 -5.409 1.717 -9.992 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.711 1.513 -10.376 1.00 0.00 H new ATOM 0 HG SER B 9 -5.052 -0.054 -11.466 1.00 0.00 H new ATOM 449 N ASP B 10 -2.493 2.295 -7.588 1.00 0.00 N ATOM 450 CA ASP B 10 -1.049 2.584 -7.361 1.00 0.00 C ATOM 451 C ASP B 10 -0.557 1.826 -6.116 1.00 0.00 C ATOM 452 O ASP B 10 0.397 1.088 -6.180 1.00 0.00 O ATOM 453 CB ASP B 10 -0.848 4.072 -7.193 1.00 0.00 C ATOM 454 CG ASP B 10 -1.310 4.801 -8.454 1.00 0.00 C ATOM 455 OD1 ASP B 10 -2.510 4.880 -8.662 1.00 0.00 O ATOM 456 OD2 ASP B 10 -0.458 5.269 -9.192 1.00 0.00 O ATOM 0 H ASP B 10 -3.152 3.016 -7.295 1.00 0.00 H new ATOM 0 HA ASP B 10 -0.470 2.250 -8.222 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -1.409 4.429 -6.329 1.00 0.00 H new ATOM 0 HB3 ASP B 10 0.203 4.287 -7.002 1.00 0.00 H new ATOM 461 N LEU B 11 -1.215 1.967 -4.994 1.00 0.00 N ATOM 462 CA LEU B 11 -0.793 1.209 -3.776 1.00 0.00 C ATOM 463 C LEU B 11 -0.993 -0.278 -4.056 1.00 0.00 C ATOM 464 O LEU B 11 -0.537 -1.124 -3.319 1.00 0.00 O ATOM 465 CB LEU B 11 -1.672 1.615 -2.589 1.00 0.00 C ATOM 466 CG LEU B 11 -0.994 2.719 -1.770 1.00 0.00 C ATOM 467 CD1 LEU B 11 -1.761 2.906 -0.463 1.00 0.00 C ATOM 468 CD2 LEU B 11 0.448 2.324 -1.448 1.00 0.00 C ATOM 0 H LEU B 11 -2.025 2.573 -4.868 1.00 0.00 H new ATOM 0 HA LEU B 11 0.250 1.423 -3.540 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.640 1.964 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.861 0.748 -1.956 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.992 3.645 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.287 3.690 0.128 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.790 3.189 -0.683 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.754 1.973 0.100 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.921 3.115 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.452 1.398 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU B 11 1.001 2.177 -2.376 1.00 0.00 H new ATOM 480 N VAL B 12 -1.684 -0.597 -5.122 1.00 0.00 N ATOM 481 CA VAL B 12 -1.930 -2.020 -5.465 1.00 0.00 C ATOM 482 C VAL B 12 -0.797 -2.530 -6.368 1.00 0.00 C ATOM 483 O VAL B 12 -0.332 -3.645 -6.228 1.00 0.00 O ATOM 484 CB VAL B 12 -3.271 -2.110 -6.194 1.00 0.00 C ATOM 485 CG1 VAL B 12 -3.470 -3.524 -6.734 1.00 0.00 C ATOM 486 CG2 VAL B 12 -4.402 -1.783 -5.217 1.00 0.00 C ATOM 0 H VAL B 12 -2.089 0.078 -5.771 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.958 -2.633 -4.564 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.279 -1.400 -7.021 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.427 -3.584 -7.253 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.665 -3.765 -7.428 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.461 -4.234 -5.907 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.359 -1.846 -5.734 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.387 -2.495 -4.392 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.266 -0.774 -4.828 1.00 0.00 H new ATOM 496 N GLU B 13 -0.332 -1.710 -7.277 1.00 0.00 N ATOM 497 CA GLU B 13 0.787 -2.134 -8.172 1.00 0.00 C ATOM 498 C GLU B 13 2.057 -2.165 -7.338 1.00 0.00 C ATOM 499 O GLU B 13 2.797 -3.131 -7.328 1.00 0.00 O ATOM 500 CB GLU B 13 0.946 -1.134 -9.320 1.00 0.00 C ATOM 501 CG GLU B 13 2.238 -1.433 -10.082 1.00 0.00 C ATOM 502 CD GLU B 13 3.097 -0.168 -10.151 1.00 0.00 C ATOM 503 OE1 GLU B 13 3.169 0.530 -9.153 1.00 0.00 O ATOM 504 OE2 GLU B 13 3.668 0.079 -11.200 1.00 0.00 O ATOM 0 H GLU B 13 -0.680 -0.765 -7.438 1.00 0.00 H new ATOM 0 HA GLU B 13 0.583 -3.116 -8.598 1.00 0.00 H new ATOM 0 HB2 GLU B 13 0.091 -1.198 -9.993 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.969 -0.117 -8.930 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.788 -2.232 -9.585 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.006 -1.783 -11.088 1.00 0.00 H new ATOM 511 N ALA B 14 2.285 -1.125 -6.600 1.00 0.00 N ATOM 512 CA ALA B 14 3.464 -1.099 -5.710 1.00 0.00 C ATOM 513 C ALA B 14 3.256 -2.222 -4.706 1.00 0.00 C ATOM 514 O ALA B 14 4.188 -2.788 -4.181 1.00 0.00 O ATOM 515 CB ALA B 14 3.551 0.246 -4.984 1.00 0.00 C ATOM 0 H ALA B 14 1.702 -0.288 -6.575 1.00 0.00 H new ATOM 0 HA ALA B 14 4.390 -1.228 -6.271 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.424 0.251 -4.332 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.639 1.049 -5.715 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.651 0.396 -4.387 1.00 0.00 H new ATOM 521 N LEU B 15 2.012 -2.564 -4.470 1.00 0.00 N ATOM 522 CA LEU B 15 1.690 -3.677 -3.536 1.00 0.00 C ATOM 523 C LEU B 15 2.439 -4.914 -4.017 1.00 0.00 C ATOM 524 O LEU B 15 2.921 -5.711 -3.246 1.00 0.00 O ATOM 525 CB LEU B 15 0.181 -3.963 -3.616 1.00 0.00 C ATOM 526 CG LEU B 15 -0.391 -4.454 -2.278 1.00 0.00 C ATOM 527 CD1 LEU B 15 0.663 -5.228 -1.489 1.00 0.00 C ATOM 528 CD2 LEU B 15 -0.871 -3.257 -1.459 1.00 0.00 C ATOM 0 H LEU B 15 1.201 -2.112 -4.892 1.00 0.00 H new ATOM 0 HA LEU B 15 1.971 -3.421 -2.514 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.342 -3.057 -3.922 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.004 -4.713 -4.385 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.228 -5.121 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU B 15 0.235 -5.566 -0.545 1.00 0.00 H new ATOM 0 HD12 LEU B 15 0.990 -6.091 -2.069 1.00 0.00 H new ATOM 0 HD13 LEU B 15 1.517 -4.580 -1.289 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.277 -3.605 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.033 -2.585 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.646 -2.725 -2.012 1.00 0.00 H new ATOM 540 N TYR B 16 2.526 -5.069 -5.306 1.00 0.00 N ATOM 541 CA TYR B 16 3.240 -6.238 -5.878 1.00 0.00 C ATOM 542 C TYR B 16 4.743 -6.059 -5.625 1.00 0.00 C ATOM 543 O TYR B 16 5.448 -7.002 -5.328 1.00 0.00 O ATOM 544 CB TYR B 16 2.922 -6.316 -7.388 1.00 0.00 C ATOM 545 CG TYR B 16 4.184 -6.455 -8.216 1.00 0.00 C ATOM 546 CD1 TYR B 16 4.866 -5.310 -8.646 1.00 0.00 C ATOM 547 CD2 TYR B 16 4.665 -7.727 -8.554 1.00 0.00 C ATOM 548 CE1 TYR B 16 6.030 -5.436 -9.414 1.00 0.00 C ATOM 549 CE2 TYR B 16 5.829 -7.853 -9.323 1.00 0.00 C ATOM 550 CZ TYR B 16 6.512 -6.707 -9.753 1.00 0.00 C ATOM 551 OH TYR B 16 7.658 -6.830 -10.510 1.00 0.00 O ATOM 0 H TYR B 16 2.129 -4.429 -5.994 1.00 0.00 H new ATOM 0 HA TYR B 16 2.921 -7.170 -5.412 1.00 0.00 H new ATOM 0 HB2 TYR B 16 2.265 -7.165 -7.579 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.382 -5.420 -7.694 1.00 0.00 H new ATOM 0 HD1 TYR B 16 4.494 -4.330 -8.385 1.00 0.00 H new ATOM 0 HD2 TYR B 16 4.139 -8.610 -8.222 1.00 0.00 H new ATOM 0 HE1 TYR B 16 6.556 -4.553 -9.745 1.00 0.00 H new ATOM 0 HE2 TYR B 16 6.200 -8.833 -9.585 1.00 0.00 H new ATOM 0 HH TYR B 16 7.855 -7.779 -10.654 1.00 0.00 H new ATOM 561 N LEU B 17 5.232 -4.853 -5.737 1.00 0.00 N ATOM 562 CA LEU B 17 6.686 -4.613 -5.500 1.00 0.00 C ATOM 563 C LEU B 17 6.911 -4.236 -4.031 1.00 0.00 C ATOM 564 O LEU B 17 8.007 -3.906 -3.626 1.00 0.00 O ATOM 565 CB LEU B 17 7.165 -3.469 -6.398 1.00 0.00 C ATOM 566 CG LEU B 17 8.571 -3.039 -5.974 1.00 0.00 C ATOM 567 CD1 LEU B 17 9.393 -2.679 -7.213 1.00 0.00 C ATOM 568 CD2 LEU B 17 8.475 -1.818 -5.056 1.00 0.00 C ATOM 0 H LEU B 17 4.689 -4.025 -5.982 1.00 0.00 H new ATOM 0 HA LEU B 17 7.246 -5.519 -5.732 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.170 -3.789 -7.440 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.479 -2.625 -6.327 1.00 0.00 H new ATOM 0 HG LEU B 17 9.055 -3.859 -5.443 1.00 0.00 H new ATOM 0 HD11 LEU B 17 10.394 -2.373 -6.909 1.00 0.00 H new ATOM 0 HD12 LEU B 17 9.462 -3.547 -7.869 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.909 -1.860 -7.745 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.476 -1.511 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.990 -1.000 -5.588 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.891 -2.073 -4.172 1.00 0.00 H new ATOM 580 N VAL B 18 5.882 -4.282 -3.230 1.00 0.00 N ATOM 581 CA VAL B 18 6.042 -3.926 -1.790 1.00 0.00 C ATOM 582 C VAL B 18 6.001 -5.195 -0.947 1.00 0.00 C ATOM 583 O VAL B 18 6.803 -5.408 -0.059 1.00 0.00 O ATOM 584 CB VAL B 18 4.903 -2.978 -1.362 1.00 0.00 C ATOM 585 CG1 VAL B 18 3.691 -3.759 -0.869 1.00 0.00 C ATOM 586 CG2 VAL B 18 5.384 -2.101 -0.222 1.00 0.00 C ATOM 0 H VAL B 18 4.938 -4.550 -3.509 1.00 0.00 H new ATOM 0 HA VAL B 18 6.999 -3.425 -1.642 1.00 0.00 H new ATOM 0 HB VAL B 18 4.620 -2.381 -2.229 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.905 -3.063 -0.575 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.324 -4.404 -1.668 1.00 0.00 H new ATOM 0 HG13 VAL B 18 3.975 -4.369 -0.012 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.582 -1.429 0.084 1.00 0.00 H new ATOM 0 HG22 VAL B 18 5.674 -2.727 0.622 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.242 -1.515 -0.551 1.00 0.00 H new ATOM 596 N CYS B 19 5.042 -6.016 -1.222 1.00 0.00 N ATOM 597 CA CYS B 19 4.870 -7.275 -0.460 1.00 0.00 C ATOM 598 C CYS B 19 5.539 -8.438 -1.196 1.00 0.00 C ATOM 599 O CYS B 19 6.492 -9.021 -0.717 1.00 0.00 O ATOM 600 CB CYS B 19 3.377 -7.557 -0.313 1.00 0.00 C ATOM 601 SG CYS B 19 2.844 -7.078 1.345 1.00 0.00 S ATOM 0 H CYS B 19 4.353 -5.867 -1.959 1.00 0.00 H new ATOM 0 HA CYS B 19 5.334 -7.171 0.521 1.00 0.00 H new ATOM 0 HB2 CYS B 19 2.814 -7.002 -1.064 1.00 0.00 H new ATOM 0 HB3 CYS B 19 3.176 -8.615 -0.481 1.00 0.00 H new ATOM 606 N GLY B 20 5.041 -8.791 -2.351 1.00 0.00 N ATOM 607 CA GLY B 20 5.645 -9.928 -3.102 1.00 0.00 C ATOM 608 C GLY B 20 5.513 -11.198 -2.263 1.00 0.00 C ATOM 609 O GLY B 20 6.429 -11.991 -2.168 1.00 0.00 O ATOM 0 H GLY B 20 4.245 -8.343 -2.805 1.00 0.00 H new ATOM 0 HA2 GLY B 20 5.143 -10.056 -4.061 1.00 0.00 H new ATOM 0 HA3 GLY B 20 6.694 -9.724 -3.316 1.00 0.00 H new ATOM 613 N GLU B 21 4.380 -11.391 -1.645 1.00 0.00 N ATOM 614 CA GLU B 21 4.186 -12.602 -0.801 1.00 0.00 C ATOM 615 C GLU B 21 3.111 -13.498 -1.419 1.00 0.00 C ATOM 616 O GLU B 21 2.038 -13.657 -0.875 1.00 0.00 O ATOM 617 CB GLU B 21 3.747 -12.177 0.601 1.00 0.00 C ATOM 618 CG GLU B 21 4.354 -13.125 1.638 1.00 0.00 C ATOM 619 CD GLU B 21 3.423 -13.221 2.848 1.00 0.00 C ATOM 620 OE1 GLU B 21 3.199 -12.201 3.480 1.00 0.00 O ATOM 621 OE2 GLU B 21 2.949 -14.311 3.122 1.00 0.00 O ATOM 0 H GLU B 21 3.579 -10.761 -1.689 1.00 0.00 H new ATOM 0 HA GLU B 21 5.124 -13.154 -0.742 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.066 -11.154 0.798 1.00 0.00 H new ATOM 0 HB3 GLU B 21 2.659 -12.191 0.673 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.503 -14.112 1.201 1.00 0.00 H new ATOM 0 HG3 GLU B 21 5.334 -12.763 1.948 1.00 0.00 H new ATOM 628 N ARG B 22 3.397 -14.087 -2.548 1.00 0.00 N ATOM 629 CA ARG B 22 2.401 -14.986 -3.206 1.00 0.00 C ATOM 630 C ARG B 22 1.164 -14.194 -3.648 1.00 0.00 C ATOM 631 O ARG B 22 0.207 -14.760 -4.136 1.00 0.00 O ATOM 632 CB ARG B 22 1.983 -16.087 -2.225 1.00 0.00 C ATOM 633 CG ARG B 22 0.813 -16.884 -2.809 1.00 0.00 C ATOM 634 CD ARG B 22 0.620 -18.171 -2.004 1.00 0.00 C ATOM 635 NE ARG B 22 0.387 -19.311 -2.935 1.00 0.00 N ATOM 636 CZ ARG B 22 0.926 -20.475 -2.689 1.00 0.00 C ATOM 637 NH1 ARG B 22 2.223 -20.602 -2.668 1.00 0.00 N ATOM 638 NH2 ARG B 22 0.167 -21.512 -2.464 1.00 0.00 N ATOM 0 H ARG B 22 4.281 -13.985 -3.047 1.00 0.00 H new ATOM 0 HA ARG B 22 2.861 -15.431 -4.088 1.00 0.00 H new ATOM 0 HB2 ARG B 22 2.825 -16.751 -2.028 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.695 -15.646 -1.271 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -0.098 -16.286 -2.782 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.007 -17.122 -3.855 1.00 0.00 H new ATOM 0 HD2 ARG B 22 1.500 -18.363 -1.390 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -0.226 -18.064 -1.325 1.00 0.00 H new ATOM 0 HE ARG B 22 -0.193 -19.182 -3.764 1.00 0.00 H new ATOM 0 HH11 ARG B 22 2.818 -19.792 -2.844 1.00 0.00 H new ATOM 0 HH12 ARG B 22 2.643 -21.511 -2.476 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -0.848 -21.414 -2.480 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.589 -22.421 -2.272 1.00 0.00 H new ATOM 652 N GLY B 23 1.168 -12.896 -3.500 1.00 0.00 N ATOM 653 CA GLY B 23 -0.020 -12.104 -3.934 1.00 0.00 C ATOM 654 C GLY B 23 -0.352 -11.032 -2.893 1.00 0.00 C ATOM 655 O GLY B 23 0.296 -10.918 -1.870 1.00 0.00 O ATOM 0 H GLY B 23 1.934 -12.354 -3.101 1.00 0.00 H new ATOM 0 HA2 GLY B 23 0.179 -11.636 -4.898 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -0.876 -12.765 -4.071 1.00 0.00 H new ATOM 659 N PHE B 24 -1.361 -10.243 -3.151 1.00 0.00 N ATOM 660 CA PHE B 24 -1.745 -9.170 -2.188 1.00 0.00 C ATOM 661 C PHE B 24 -3.259 -8.949 -2.254 1.00 0.00 C ATOM 662 O PHE B 24 -3.928 -9.449 -3.135 1.00 0.00 O ATOM 663 CB PHE B 24 -1.027 -7.874 -2.567 1.00 0.00 C ATOM 664 CG PHE B 24 -0.995 -7.744 -4.070 1.00 0.00 C ATOM 665 CD1 PHE B 24 -2.090 -7.192 -4.748 1.00 0.00 C ATOM 666 CD2 PHE B 24 0.127 -8.178 -4.787 1.00 0.00 C ATOM 667 CE1 PHE B 24 -2.063 -7.074 -6.143 1.00 0.00 C ATOM 668 CE2 PHE B 24 0.155 -8.060 -6.182 1.00 0.00 C ATOM 669 CZ PHE B 24 -0.940 -7.508 -6.861 1.00 0.00 C ATOM 0 H PHE B 24 -1.938 -10.296 -3.991 1.00 0.00 H new ATOM 0 HA PHE B 24 -1.462 -9.464 -1.177 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.540 -7.019 -2.127 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.012 -7.877 -2.169 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -2.955 -6.857 -4.195 1.00 0.00 H new ATOM 0 HD2 PHE B 24 0.971 -8.604 -4.264 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -2.907 -6.649 -6.666 1.00 0.00 H new ATOM 0 HE2 PHE B 24 1.020 -8.394 -6.735 1.00 0.00 H new ATOM 0 HZ PHE B 24 -0.918 -7.417 -7.937 1.00 0.00 H new ATOM 679 N PHE B 25 -3.804 -8.199 -1.335 1.00 0.00 N ATOM 680 CA PHE B 25 -5.272 -7.944 -1.355 1.00 0.00 C ATOM 681 C PHE B 25 -5.564 -6.610 -0.664 1.00 0.00 C ATOM 682 O PHE B 25 -6.275 -6.548 0.319 1.00 0.00 O ATOM 683 CB PHE B 25 -6.007 -9.071 -0.627 1.00 0.00 C ATOM 684 CG PHE B 25 -7.252 -9.432 -1.402 1.00 0.00 C ATOM 685 CD1 PHE B 25 -8.291 -8.501 -1.533 1.00 0.00 C ATOM 686 CD2 PHE B 25 -7.366 -10.695 -1.998 1.00 0.00 C ATOM 687 CE1 PHE B 25 -9.443 -8.832 -2.259 1.00 0.00 C ATOM 688 CE2 PHE B 25 -8.518 -11.027 -2.723 1.00 0.00 C ATOM 689 CZ PHE B 25 -9.557 -10.096 -2.853 1.00 0.00 C ATOM 0 H PHE B 25 -3.296 -7.752 -0.572 1.00 0.00 H new ATOM 0 HA PHE B 25 -5.617 -7.904 -2.388 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -5.359 -9.942 -0.531 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.271 -8.757 0.383 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.204 -7.527 -1.074 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -6.565 -11.413 -1.898 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.243 -8.113 -2.361 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.605 -12.001 -3.182 1.00 0.00 H new ATOM 0 HZ PHE B 25 -10.445 -10.353 -3.411 1.00 0.00 H new ATOM 699 N TYR B 26 -5.017 -5.543 -1.177 1.00 0.00 N ATOM 700 CA TYR B 26 -5.255 -4.206 -0.561 1.00 0.00 C ATOM 701 C TYR B 26 -6.759 -3.903 -0.593 1.00 0.00 C ATOM 702 O TYR B 26 -7.384 -3.922 -1.634 1.00 0.00 O ATOM 703 CB TYR B 26 -4.451 -3.152 -1.346 1.00 0.00 C ATOM 704 CG TYR B 26 -5.203 -1.844 -1.448 1.00 0.00 C ATOM 705 CD1 TYR B 26 -5.148 -0.919 -0.399 1.00 0.00 C ATOM 706 CD2 TYR B 26 -5.949 -1.557 -2.597 1.00 0.00 C ATOM 707 CE1 TYR B 26 -5.839 0.294 -0.500 1.00 0.00 C ATOM 708 CE2 TYR B 26 -6.641 -0.345 -2.700 1.00 0.00 C ATOM 709 CZ TYR B 26 -6.586 0.583 -1.651 1.00 0.00 C ATOM 710 OH TYR B 26 -7.266 1.780 -1.750 1.00 0.00 O ATOM 0 H TYR B 26 -4.413 -5.539 -1.999 1.00 0.00 H new ATOM 0 HA TYR B 26 -4.926 -4.189 0.478 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -3.492 -2.984 -0.855 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.236 -3.528 -2.346 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.573 -1.141 0.488 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.991 -2.272 -3.405 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -5.797 1.008 0.309 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.217 -0.125 -3.587 1.00 0.00 H new ATOM 0 HH TYR B 26 -6.640 2.523 -1.625 1.00 0.00 H new ATOM 720 N THR B 27 -7.342 -3.632 0.544 1.00 0.00 N ATOM 721 CA THR B 27 -8.803 -3.341 0.582 1.00 0.00 C ATOM 722 C THR B 27 -9.054 -2.035 1.340 1.00 0.00 C ATOM 723 O THR B 27 -8.141 -1.413 1.848 1.00 0.00 O ATOM 724 CB THR B 27 -9.526 -4.488 1.292 1.00 0.00 C ATOM 725 OG1 THR B 27 -10.740 -4.011 1.854 1.00 0.00 O ATOM 726 CG2 THR B 27 -8.634 -5.042 2.404 1.00 0.00 C ATOM 0 H THR B 27 -6.869 -3.600 1.447 1.00 0.00 H new ATOM 0 HA THR B 27 -9.178 -3.241 -0.436 1.00 0.00 H new ATOM 0 HB THR B 27 -9.745 -5.277 0.573 1.00 0.00 H new ATOM 0 HG1 THR B 27 -11.202 -4.747 2.307 1.00 0.00 H new ATOM 0 HG21 THR B 27 -9.148 -5.859 2.910 1.00 0.00 H new ATOM 0 HG22 THR B 27 -7.703 -5.411 1.974 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.414 -4.252 3.122 1.00 0.00 H new ATOM 734 N LYS B 28 -10.287 -1.617 1.418 1.00 0.00 N ATOM 735 CA LYS B 28 -10.606 -0.354 2.141 1.00 0.00 C ATOM 736 C LYS B 28 -10.082 -0.440 3.579 1.00 0.00 C ATOM 737 O LYS B 28 -10.237 -1.454 4.232 1.00 0.00 O ATOM 738 CB LYS B 28 -12.123 -0.161 2.172 1.00 0.00 C ATOM 739 CG LYS B 28 -12.559 0.698 0.984 1.00 0.00 C ATOM 740 CD LYS B 28 -12.823 -0.198 -0.227 1.00 0.00 C ATOM 741 CE LYS B 28 -14.331 -0.407 -0.386 1.00 0.00 C ATOM 742 NZ LYS B 28 -14.956 0.851 -0.883 1.00 0.00 N ATOM 0 H LYS B 28 -11.090 -2.097 1.011 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.135 0.486 1.630 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -12.623 -1.129 2.136 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -12.419 0.316 3.106 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -13.459 1.258 1.238 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -11.785 1.428 0.747 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -12.411 0.258 -1.127 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.323 -1.158 -0.099 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -14.525 -1.222 -1.083 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -14.772 -0.693 0.569 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -15.848 0.627 -1.368 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -15.147 1.484 -0.080 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -14.309 1.321 -1.548 1.00 0.00 H new ATOM 756 N PRO B 29 -9.479 0.630 4.036 1.00 0.00 N ATOM 757 CA PRO B 29 -8.928 0.704 5.400 1.00 0.00 C ATOM 758 C PRO B 29 -10.046 0.986 6.408 1.00 0.00 C ATOM 759 O PRO B 29 -10.203 2.095 6.879 1.00 0.00 O ATOM 760 CB PRO B 29 -7.952 1.881 5.327 1.00 0.00 C ATOM 761 CG PRO B 29 -8.410 2.755 4.134 1.00 0.00 C ATOM 762 CD PRO B 29 -9.288 1.859 3.241 1.00 0.00 C ATOM 0 HA PRO B 29 -8.450 -0.221 5.723 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -7.964 2.453 6.255 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -6.930 1.530 5.182 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -8.971 3.622 4.482 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -7.551 3.132 3.579 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -10.240 2.337 3.012 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -8.801 1.646 2.289 1.00 0.00 H new ATOM 770 N THR B 30 -10.827 -0.007 6.740 1.00 0.00 N ATOM 771 CA THR B 30 -11.933 0.210 7.714 1.00 0.00 C ATOM 772 C THR B 30 -11.388 0.089 9.139 1.00 0.00 C ATOM 773 O THR B 30 -11.922 0.751 10.014 1.00 0.00 O ATOM 774 CB THR B 30 -13.022 -0.843 7.493 1.00 0.00 C ATOM 775 OG1 THR B 30 -13.232 -1.022 6.100 1.00 0.00 O ATOM 776 CG2 THR B 30 -14.321 -0.379 8.151 1.00 0.00 C ATOM 777 OXT THR B 30 -10.446 -0.661 9.330 1.00 0.00 O ATOM 0 H THR B 30 -10.746 -0.957 6.379 1.00 0.00 H new ATOM 0 HA THR B 30 -12.355 1.205 7.569 1.00 0.00 H new ATOM 0 HB THR B 30 -12.709 -1.788 7.936 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.928 -1.697 5.958 1.00 0.00 H new ATOM 0 HG21 THR B 30 -15.097 -1.129 7.994 1.00 0.00 H new ATOM 0 HG22 THR B 30 -14.159 -0.243 9.220 1.00 0.00 H new ATOM 0 HG23 THR B 30 -14.635 0.566 7.709 1.00 0.00 H new TER 785 THR B 30