USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 380 hydrogens (5 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: B 8 DAL H2 : B 8 DAL N : B 7 CYS C :(H bumps) USER MOD Set 1.1: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 18 ASN : amide:sc= -0.0834 K(o=-0.083,f=-2.8!) USER MOD Set 2.1: A 5 GLN : amide:sc= -0.44 X(o=-1.2,f=-1.1) USER MOD Set 2.2: A 9 SER OG : rot 113:sc= -0.715 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -46:sc= 0.164 USER MOD Single : A 12 SER OG : rot 180:sc= 0.444 USER MOD Single : A 15 GLN : amide:sc= -1.2! C(o=-1.2!,f=-1.3!) USER MOD Single : A 19 TYR OH : rot 180:sc= -2.58! USER MOD Single : A 21 ASN : amide:sc= -2.3 K(o=-2.3,f=-5!) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -3.83! C(o=-3.8!,f=-3.7!) USER MOD Single : B 4 GLN : amide:sc= -2.15! C(o=-2.2!,f=-3.6!) USER MOD Single : B 5 HIS : no HD1:sc= -0.624 K(o=-0.62,f=-1.5) 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= -0.557 USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.436 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 -7.611 7.720 2.086 1.00 0.00 N ATOM 2 CA GLY A 1 -7.537 6.338 1.438 1.00 0.00 C ATOM 3 C GLY A 1 -6.206 5.753 1.111 1.00 0.00 C ATOM 4 O GLY A 1 -5.179 6.364 1.328 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.606 7.976 2.246 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.107 7.704 2.996 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.170 8.422 1.458 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.048 5.639 2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.112 6.379 0.513 1.00 0.00 H new ATOM 10 N ILE A 2 -6.186 4.560 0.585 1.00 0.00 N ATOM 11 CA ILE A 2 -4.886 3.924 0.236 1.00 0.00 C ATOM 12 C ILE A 2 -4.356 4.514 -1.069 1.00 0.00 C ATOM 13 O ILE A 2 -3.198 4.863 -1.179 1.00 0.00 O ATOM 14 CB ILE A 2 -5.081 2.420 0.059 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.737 1.776 -0.291 1.00 0.00 C ATOM 16 CG2 ILE A 2 -6.074 2.173 -1.075 1.00 0.00 C ATOM 17 CD1 ILE A 2 -3.947 0.299 -0.629 1.00 0.00 C ATOM 0 H ILE A 2 -7.013 3.999 0.382 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.173 4.111 1.039 1.00 0.00 H new ATOM 0 HB ILE A 2 -5.465 1.985 0.982 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.285 2.292 -1.138 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.047 1.873 0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.217 1.100 -1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -7.028 2.639 -0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.686 2.603 -1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.989 -0.157 -0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.380 -0.213 0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.622 0.213 -1.481 1.00 0.00 H new ATOM 29 N VAL A 3 -5.190 4.622 -2.064 1.00 0.00 N ATOM 30 CA VAL A 3 -4.726 5.182 -3.362 1.00 0.00 C ATOM 31 C VAL A 3 -4.622 6.703 -3.261 1.00 0.00 C ATOM 32 O VAL A 3 -3.678 7.300 -3.728 1.00 0.00 O ATOM 33 CB VAL A 3 -5.723 4.816 -4.462 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.332 5.523 -5.761 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.705 3.302 -4.680 1.00 0.00 C ATOM 0 H VAL A 3 -6.172 4.347 -2.035 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.747 4.767 -3.601 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.724 5.130 -4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.043 5.262 -6.545 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.343 6.602 -5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.332 5.209 -6.059 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.415 3.039 -5.464 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.704 2.989 -4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.983 2.798 -3.754 1.00 0.00 H new ATOM 45 N GLU A 4 -5.589 7.336 -2.663 1.00 0.00 N ATOM 46 CA GLU A 4 -5.551 8.822 -2.547 1.00 0.00 C ATOM 47 C GLU A 4 -4.277 9.271 -1.822 1.00 0.00 C ATOM 48 O GLU A 4 -3.464 9.990 -2.366 1.00 0.00 O ATOM 49 CB GLU A 4 -6.774 9.299 -1.761 1.00 0.00 C ATOM 50 CG GLU A 4 -7.915 9.607 -2.731 1.00 0.00 C ATOM 51 CD GLU A 4 -7.901 11.096 -3.080 1.00 0.00 C ATOM 52 OE1 GLU A 4 -7.584 11.887 -2.206 1.00 0.00 O ATOM 53 OE2 GLU A 4 -8.206 11.422 -4.215 1.00 0.00 O ATOM 0 H GLU A 4 -6.407 6.890 -2.248 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.558 9.254 -3.548 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.084 8.533 -1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.524 10.189 -1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.808 9.010 -3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.871 9.337 -2.282 1.00 0.00 H new ATOM 60 N GLN A 5 -4.110 8.871 -0.592 1.00 0.00 N ATOM 61 CA GLN A 5 -2.906 9.296 0.182 1.00 0.00 C ATOM 62 C GLN A 5 -1.612 8.923 -0.550 1.00 0.00 C ATOM 63 O GLN A 5 -0.619 9.613 -0.444 1.00 0.00 O ATOM 64 CB GLN A 5 -2.921 8.613 1.551 1.00 0.00 C ATOM 65 CG GLN A 5 -3.121 9.665 2.644 1.00 0.00 C ATOM 66 CD GLN A 5 -1.976 10.679 2.594 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.847 10.354 2.901 1.00 0.00 O ATOM 68 NE2 GLN A 5 -2.222 11.904 2.217 1.00 0.00 N ATOM 0 H GLN A 5 -4.757 8.266 -0.086 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.937 10.380 0.295 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.721 7.874 1.592 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.985 8.078 1.713 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.076 10.172 2.505 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.154 9.186 3.623 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.170 12.178 1.959 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.466 12.588 2.180 1.00 0.00 H new ATOM 77 N CYS A 6 -1.597 7.839 -1.276 1.00 0.00 N ATOM 78 CA CYS A 6 -0.343 7.446 -1.982 1.00 0.00 C ATOM 79 C CYS A 6 -0.318 8.057 -3.385 1.00 0.00 C ATOM 80 O CYS A 6 0.694 8.556 -3.834 1.00 0.00 O ATOM 81 CB CYS A 6 -0.270 5.922 -2.078 1.00 0.00 C ATOM 82 SG CYS A 6 -0.582 5.204 -0.446 1.00 0.00 S ATOM 0 H CYS A 6 -2.391 7.213 -1.411 1.00 0.00 H new ATOM 0 HA CYS A 6 0.516 7.816 -1.422 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.004 5.556 -2.795 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.711 5.616 -2.441 1.00 0.00 H new ATOM 87 N CYS A 7 -1.417 8.018 -4.083 1.00 0.00 N ATOM 88 CA CYS A 7 -1.443 8.594 -5.452 1.00 0.00 C ATOM 89 C CYS A 7 -1.289 10.116 -5.368 1.00 0.00 C ATOM 90 O CYS A 7 -0.500 10.707 -6.078 1.00 0.00 O ATOM 91 CB CYS A 7 -2.768 8.233 -6.131 1.00 0.00 C ATOM 92 SG CYS A 7 -2.980 9.226 -7.632 1.00 0.00 S ATOM 0 H CYS A 7 -2.297 7.612 -3.764 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.620 8.186 -6.039 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.782 7.172 -6.381 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.598 8.410 -5.447 1.00 0.00 H new ATOM 97 N THR A 8 -2.031 10.754 -4.504 1.00 0.00 N ATOM 98 CA THR A 8 -1.915 12.235 -4.379 1.00 0.00 C ATOM 99 C THR A 8 -0.759 12.575 -3.433 1.00 0.00 C ATOM 100 O THR A 8 -0.580 13.708 -3.036 1.00 0.00 O ATOM 101 CB THR A 8 -3.225 12.809 -3.825 1.00 0.00 C ATOM 102 OG1 THR A 8 -3.267 14.207 -4.067 1.00 0.00 O ATOM 103 CG2 THR A 8 -3.315 12.548 -2.320 1.00 0.00 C ATOM 0 H THR A 8 -2.710 10.316 -3.882 1.00 0.00 H new ATOM 0 HA THR A 8 -1.721 12.670 -5.359 1.00 0.00 H new ATOM 0 HB THR A 8 -4.066 12.325 -4.322 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.405 14.607 -3.826 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.248 12.959 -1.935 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.287 11.474 -2.135 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.474 13.025 -1.817 1.00 0.00 H new ATOM 111 N SER A 9 0.027 11.596 -3.070 1.00 0.00 N ATOM 112 CA SER A 9 1.172 11.855 -2.154 1.00 0.00 C ATOM 113 C SER A 9 2.177 10.708 -2.278 1.00 0.00 C ATOM 114 O SER A 9 2.337 10.128 -3.334 1.00 0.00 O ATOM 115 CB SER A 9 0.662 11.940 -0.713 1.00 0.00 C ATOM 116 OG SER A 9 -0.747 12.121 -0.724 1.00 0.00 O ATOM 0 H SER A 9 -0.076 10.627 -3.370 1.00 0.00 H new ATOM 0 HA SER A 9 1.654 12.796 -2.420 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.919 11.031 -0.170 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.143 12.769 -0.193 1.00 0.00 H new ATOM 0 HG SER A 9 -1.182 11.321 -0.361 1.00 0.00 H new ATOM 122 N ILE A 10 2.856 10.373 -1.217 1.00 0.00 N ATOM 123 CA ILE A 10 3.844 9.263 -1.293 1.00 0.00 C ATOM 124 C ILE A 10 3.483 8.184 -0.269 1.00 0.00 C ATOM 125 O ILE A 10 2.777 8.434 0.688 1.00 0.00 O ATOM 126 CB ILE A 10 5.242 9.804 -0.993 1.00 0.00 C ATOM 127 CG1 ILE A 10 5.637 10.816 -2.071 1.00 0.00 C ATOM 128 CG2 ILE A 10 6.242 8.648 -0.980 1.00 0.00 C ATOM 129 CD1 ILE A 10 5.965 10.080 -3.369 1.00 0.00 C ATOM 0 H ILE A 10 2.770 10.818 -0.303 1.00 0.00 H new ATOM 0 HA ILE A 10 3.828 8.832 -2.294 1.00 0.00 H new ATOM 0 HB ILE A 10 5.244 10.294 -0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.823 11.522 -2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.499 11.395 -1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.239 9.032 -0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.957 7.929 -0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.243 8.157 -1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.246 10.802 -4.136 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.793 9.392 -3.198 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.091 9.520 -3.701 1.00 0.00 H new ATOM 141 N CYS A 11 3.962 6.986 -0.465 1.00 0.00 N ATOM 142 CA CYS A 11 3.648 5.890 0.496 1.00 0.00 C ATOM 143 C CYS A 11 4.834 4.925 0.573 1.00 0.00 C ATOM 144 O CYS A 11 5.486 4.649 -0.415 1.00 0.00 O ATOM 145 CB CYS A 11 2.408 5.132 0.018 1.00 0.00 C ATOM 146 SG CYS A 11 0.924 5.912 0.701 1.00 0.00 S ATOM 0 H CYS A 11 4.557 6.718 -1.249 1.00 0.00 H new ATOM 0 HA CYS A 11 3.458 6.315 1.482 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.365 5.134 -1.071 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.462 4.090 0.333 1.00 0.00 H new ATOM 151 N SER A 12 5.122 4.411 1.738 1.00 0.00 N ATOM 152 CA SER A 12 6.267 3.467 1.871 1.00 0.00 C ATOM 153 C SER A 12 5.776 2.034 1.675 1.00 0.00 C ATOM 154 O SER A 12 4.669 1.691 2.037 1.00 0.00 O ATOM 155 CB SER A 12 6.892 3.609 3.259 1.00 0.00 C ATOM 156 OG SER A 12 7.282 2.327 3.734 1.00 0.00 O ATOM 0 H SER A 12 4.615 4.604 2.602 1.00 0.00 H new ATOM 0 HA SER A 12 7.015 3.699 1.113 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.757 4.271 3.215 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.178 4.062 3.947 1.00 0.00 H new ATOM 0 HG SER A 12 7.684 2.416 4.623 1.00 0.00 H new ATOM 162 N LEU A 13 6.593 1.197 1.101 1.00 0.00 N ATOM 163 CA LEU A 13 6.175 -0.212 0.878 1.00 0.00 C ATOM 164 C LEU A 13 5.565 -0.768 2.165 1.00 0.00 C ATOM 165 O LEU A 13 4.693 -1.613 2.138 1.00 0.00 O ATOM 166 CB LEU A 13 7.394 -1.050 0.486 1.00 0.00 C ATOM 167 CG LEU A 13 8.382 -1.088 1.652 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.995 -2.215 2.612 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.794 -1.338 1.117 1.00 0.00 C ATOM 0 H LEU A 13 7.532 1.429 0.777 1.00 0.00 H new ATOM 0 HA LEU A 13 5.436 -0.252 0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.084 -2.062 0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.872 -0.625 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 13 8.357 -0.135 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.699 -2.243 3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.989 -2.039 2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.020 -3.168 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.499 -1.365 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.819 -2.291 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.071 -0.536 0.433 1.00 0.00 H new ATOM 181 N TYR A 14 6.019 -0.297 3.295 1.00 0.00 N ATOM 182 CA TYR A 14 5.468 -0.795 4.587 1.00 0.00 C ATOM 183 C TYR A 14 3.942 -0.716 4.550 1.00 0.00 C ATOM 184 O TYR A 14 3.258 -1.715 4.660 1.00 0.00 O ATOM 185 CB TYR A 14 6.004 0.071 5.733 1.00 0.00 C ATOM 186 CG TYR A 14 5.287 -0.275 7.016 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.840 -1.584 7.239 1.00 0.00 C ATOM 188 CD2 TYR A 14 5.073 0.713 7.990 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.177 -1.905 8.430 1.00 0.00 C ATOM 190 CE2 TYR A 14 4.411 0.389 9.182 1.00 0.00 C ATOM 191 CZ TYR A 14 3.963 -0.919 9.402 1.00 0.00 C ATOM 192 OH TYR A 14 3.311 -1.237 10.576 1.00 0.00 O ATOM 0 H TYR A 14 6.748 0.411 3.379 1.00 0.00 H new ATOM 0 HA TYR A 14 5.772 -1.830 4.743 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.076 -0.089 5.851 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.862 1.126 5.500 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.007 -2.346 6.492 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.418 1.722 7.821 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.830 -2.914 8.599 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.246 1.149 9.931 1.00 0.00 H new ATOM 0 HH TYR A 14 3.246 -0.439 11.141 1.00 0.00 H new ATOM 202 N GLN A 15 3.402 0.459 4.387 1.00 0.00 N ATOM 203 CA GLN A 15 1.904 0.576 4.337 1.00 0.00 C ATOM 204 C GLN A 15 1.388 -0.256 3.164 1.00 0.00 C ATOM 205 O GLN A 15 0.292 -0.779 3.192 1.00 0.00 O ATOM 206 CB GLN A 15 1.449 2.039 4.149 1.00 0.00 C ATOM 207 CG GLN A 15 1.746 2.866 5.409 1.00 0.00 C ATOM 208 CD GLN A 15 1.439 2.043 6.662 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.316 1.422 7.226 1.00 0.00 O ATOM 210 NE2 GLN A 15 0.219 2.012 7.123 1.00 0.00 N ATOM 0 H GLN A 15 3.916 1.334 4.287 1.00 0.00 H new ATOM 0 HA GLN A 15 1.502 0.216 5.284 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.960 2.477 3.292 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.381 2.068 3.932 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.792 3.174 5.414 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.146 3.776 5.406 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.519 2.534 6.649 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.003 1.466 7.957 1.00 0.00 H new ATOM 219 N LEU A 16 2.172 -0.377 2.128 1.00 0.00 N ATOM 220 CA LEU A 16 1.733 -1.164 0.945 1.00 0.00 C ATOM 221 C LEU A 16 1.764 -2.659 1.266 1.00 0.00 C ATOM 222 O LEU A 16 0.855 -3.390 0.928 1.00 0.00 O ATOM 223 CB LEU A 16 2.669 -0.872 -0.230 1.00 0.00 C ATOM 224 CG LEU A 16 1.962 0.041 -1.233 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.270 1.190 -0.493 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.991 0.612 -2.212 1.00 0.00 C ATOM 0 H LEU A 16 3.101 0.038 2.051 1.00 0.00 H new ATOM 0 HA LEU A 16 0.713 -0.881 0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.582 -0.397 0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.963 -1.803 -0.714 1.00 0.00 H new ATOM 0 HG LEU A 16 1.215 -0.535 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.768 1.837 -1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.536 0.785 0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.012 1.768 0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.490 1.263 -2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.738 1.184 -1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.479 -0.205 -2.744 1.00 0.00 H new ATOM 238 N GLU A 17 2.794 -3.127 1.918 1.00 0.00 N ATOM 239 CA GLU A 17 2.847 -4.578 2.248 1.00 0.00 C ATOM 240 C GLU A 17 1.811 -4.874 3.332 1.00 0.00 C ATOM 241 O GLU A 17 1.483 -6.015 3.600 1.00 0.00 O ATOM 242 CB GLU A 17 4.245 -4.947 2.750 1.00 0.00 C ATOM 243 CG GLU A 17 4.935 -5.847 1.723 1.00 0.00 C ATOM 244 CD GLU A 17 4.915 -7.294 2.218 1.00 0.00 C ATOM 245 OE1 GLU A 17 4.905 -7.488 3.422 1.00 0.00 O ATOM 246 OE2 GLU A 17 4.909 -8.184 1.383 1.00 0.00 O ATOM 0 H GLU A 17 3.591 -2.574 2.233 1.00 0.00 H new ATOM 0 HA GLU A 17 2.629 -5.167 1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.834 -4.045 2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.175 -5.459 3.710 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.428 -5.774 0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.963 -5.519 1.568 1.00 0.00 H new ATOM 253 N ASN A 18 1.281 -3.852 3.948 1.00 0.00 N ATOM 254 CA ASN A 18 0.256 -4.070 5.005 1.00 0.00 C ATOM 255 C ASN A 18 -1.089 -4.366 4.341 1.00 0.00 C ATOM 256 O ASN A 18 -2.058 -4.698 4.996 1.00 0.00 O ATOM 257 CB ASN A 18 0.137 -2.812 5.868 1.00 0.00 C ATOM 258 CG ASN A 18 1.109 -2.906 7.045 1.00 0.00 C ATOM 259 OD1 ASN A 18 1.901 -3.824 7.120 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.083 -1.990 7.973 1.00 0.00 N ATOM 0 H ASN A 18 1.514 -2.876 3.764 1.00 0.00 H new ATOM 0 HA ASN A 18 0.548 -4.911 5.635 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.357 -1.927 5.271 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.884 -2.704 6.234 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.728 -2.044 8.762 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.418 -1.219 7.910 1.00 0.00 H new ATOM 267 N TYR A 19 -1.156 -4.250 3.042 1.00 0.00 N ATOM 268 CA TYR A 19 -2.432 -4.525 2.331 1.00 0.00 C ATOM 269 C TYR A 19 -2.487 -6.003 1.945 1.00 0.00 C ATOM 270 O TYR A 19 -3.527 -6.524 1.592 1.00 0.00 O ATOM 271 CB TYR A 19 -2.506 -3.661 1.071 1.00 0.00 C ATOM 272 CG TYR A 19 -2.932 -2.265 1.455 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.293 -1.956 1.566 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.967 -1.280 1.705 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.691 -0.663 1.929 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.365 0.014 2.067 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.727 0.321 2.179 1.00 0.00 C ATOM 278 OH TYR A 19 -4.119 1.595 2.537 1.00 0.00 O ATOM 0 H TYR A 19 -0.378 -3.975 2.443 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.274 -4.289 2.981 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.536 -3.635 0.575 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.215 -4.089 0.362 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.036 -2.715 1.372 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.917 -1.518 1.619 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.741 -0.425 2.016 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.622 0.774 2.259 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.326 2.154 2.675 1.00 0.00 H new ATOM 288 N CYS A 20 -1.377 -6.687 2.013 1.00 0.00 N ATOM 289 CA CYS A 20 -1.377 -8.131 1.653 1.00 0.00 C ATOM 290 C CYS A 20 -2.578 -8.814 2.313 1.00 0.00 C ATOM 291 O CYS A 20 -3.163 -8.294 3.242 1.00 0.00 O ATOM 292 CB CYS A 20 -0.085 -8.782 2.148 1.00 0.00 C ATOM 293 SG CYS A 20 0.866 -9.384 0.732 1.00 0.00 S ATOM 0 H CYS A 20 -0.474 -6.309 2.301 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.443 -8.238 0.570 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.504 -8.061 2.716 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.316 -9.607 2.822 1.00 0.00 H new ATOM 298 N ASN A 21 -2.952 -9.973 1.844 1.00 0.00 N ATOM 299 CA ASN A 21 -4.116 -10.678 2.454 1.00 0.00 C ATOM 300 C ASN A 21 -3.847 -10.916 3.942 1.00 0.00 C ATOM 301 O ASN A 21 -2.708 -11.190 4.282 1.00 0.00 O ATOM 302 CB ASN A 21 -4.325 -12.023 1.754 1.00 0.00 C ATOM 303 CG ASN A 21 -3.014 -12.810 1.753 1.00 0.00 C ATOM 304 OD1 ASN A 21 -2.011 -12.342 2.254 1.00 0.00 O ATOM 305 ND2 ASN A 21 -2.979 -13.994 1.206 1.00 0.00 N ATOM 306 OXT ASN A 21 -4.786 -10.821 4.716 1.00 0.00 O ATOM 0 H ASN A 21 -2.504 -10.461 1.068 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.010 -10.065 2.339 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.102 -12.593 2.263 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.666 -11.863 0.731 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.109 -14.527 1.199 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.821 -14.387 0.785 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 14.043 2.477 -0.649 1.00 0.00 N ATOM 315 CA PHE B 1 12.779 2.840 -1.350 1.00 0.00 C ATOM 316 C PHE B 1 12.639 4.363 -1.403 1.00 0.00 C ATOM 317 O PHE B 1 12.413 5.012 -0.401 1.00 0.00 O ATOM 318 CB PHE B 1 11.589 2.243 -0.596 1.00 0.00 C ATOM 319 CG PHE B 1 10.631 1.621 -1.584 1.00 0.00 C ATOM 320 CD1 PHE B 1 11.110 0.739 -2.561 1.00 0.00 C ATOM 321 CD2 PHE B 1 9.266 1.928 -1.526 1.00 0.00 C ATOM 322 CE1 PHE B 1 10.224 0.162 -3.480 1.00 0.00 C ATOM 323 CE2 PHE B 1 8.378 1.353 -2.446 1.00 0.00 C ATOM 324 CZ PHE B 1 8.858 0.469 -3.424 1.00 0.00 C ATOM 0 H1 PHE B 1 14.136 1.442 -0.614 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.853 2.880 -1.162 1.00 0.00 H new ATOM 0 H3 PHE B 1 14.024 2.855 0.320 1.00 0.00 H new ATOM 0 HA PHE B 1 12.802 2.445 -2.366 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.934 1.492 0.115 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.083 3.018 -0.020 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.163 0.504 -2.606 1.00 0.00 H new ATOM 0 HD2 PHE B 1 8.897 2.608 -0.772 1.00 0.00 H new ATOM 0 HE1 PHE B 1 10.594 -0.520 -4.232 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.325 1.590 -2.402 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.175 0.025 -4.133 1.00 0.00 H new ATOM 336 N VAL B 2 12.772 4.938 -2.568 1.00 0.00 N ATOM 337 CA VAL B 2 12.647 6.419 -2.691 1.00 0.00 C ATOM 338 C VAL B 2 11.169 6.809 -2.711 1.00 0.00 C ATOM 339 O VAL B 2 10.300 5.970 -2.846 1.00 0.00 O ATOM 340 CB VAL B 2 13.311 6.883 -3.991 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.472 6.440 -5.192 1.00 0.00 C ATOM 342 CG2 VAL B 2 13.413 8.407 -3.986 1.00 0.00 C ATOM 0 H VAL B 2 12.962 4.445 -3.441 1.00 0.00 H new ATOM 0 HA VAL B 2 13.137 6.893 -1.841 1.00 0.00 H new ATOM 0 HB VAL B 2 14.305 6.442 -4.064 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.950 6.774 -6.113 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.391 5.353 -5.198 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.476 6.878 -5.121 1.00 0.00 H new ATOM 0 HG21 VAL B 2 13.885 8.743 -4.909 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.415 8.838 -3.911 1.00 0.00 H new ATOM 0 HG23 VAL B 2 14.012 8.729 -3.134 1.00 0.00 H new ATOM 352 N ASN B 3 10.876 8.077 -2.578 1.00 0.00 N ATOM 353 CA ASN B 3 9.452 8.519 -2.591 1.00 0.00 C ATOM 354 C ASN B 3 8.710 7.778 -3.704 1.00 0.00 C ATOM 355 O ASN B 3 9.010 7.930 -4.871 1.00 0.00 O ATOM 356 CB ASN B 3 9.384 10.027 -2.844 1.00 0.00 C ATOM 357 CG ASN B 3 10.073 10.357 -4.168 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.460 10.306 -5.216 1.00 0.00 O ATOM 359 ND2 ASN B 3 11.334 10.695 -4.167 1.00 0.00 N ATOM 0 H ASN B 3 11.561 8.824 -2.461 1.00 0.00 H new ATOM 0 HA ASN B 3 8.989 8.297 -1.629 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.345 10.355 -2.872 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.866 10.565 -2.028 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.803 10.916 -5.045 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.850 10.738 -3.288 1.00 0.00 H new ATOM 366 N GLN B 4 7.753 6.963 -3.351 1.00 0.00 N ATOM 367 CA GLN B 4 7.010 6.200 -4.391 1.00 0.00 C ATOM 368 C GLN B 4 5.607 6.774 -4.589 1.00 0.00 C ATOM 369 O GLN B 4 4.827 6.877 -3.662 1.00 0.00 O ATOM 370 CB GLN B 4 6.886 4.737 -3.959 1.00 0.00 C ATOM 371 CG GLN B 4 7.529 3.832 -5.010 1.00 0.00 C ATOM 372 CD GLN B 4 9.001 4.212 -5.181 1.00 0.00 C ATOM 373 OE1 GLN B 4 9.770 4.143 -4.242 1.00 0.00 O ATOM 374 NE2 GLN B 4 9.427 4.613 -6.347 1.00 0.00 N ATOM 0 H GLN B 4 7.455 6.794 -2.390 1.00 0.00 H new ATOM 0 HA GLN B 4 7.560 6.275 -5.329 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.371 4.591 -2.994 1.00 0.00 H new ATOM 0 HB3 GLN B 4 5.836 4.473 -3.832 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.445 2.788 -4.707 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.004 3.931 -5.960 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.781 4.670 -7.134 1.00 0.00 H new ATOM 0 HE22 GLN B 4 10.406 4.869 -6.472 1.00 0.00 H new ATOM 383 N HIS B 5 5.267 7.106 -5.804 1.00 0.00 N ATOM 384 CA HIS B 5 3.908 7.622 -6.087 1.00 0.00 C ATOM 385 C HIS B 5 3.054 6.425 -6.482 1.00 0.00 C ATOM 386 O HIS B 5 3.413 5.657 -7.352 1.00 0.00 O ATOM 387 CB HIS B 5 3.959 8.631 -7.236 1.00 0.00 C ATOM 388 CG HIS B 5 3.956 10.025 -6.674 1.00 0.00 C ATOM 389 ND1 HIS B 5 2.857 10.531 -6.013 1.00 0.00 N ATOM 390 CD2 HIS B 5 4.917 10.999 -6.677 1.00 0.00 C ATOM 391 CE1 HIS B 5 3.175 11.778 -5.637 1.00 0.00 C ATOM 392 NE2 HIS B 5 4.425 12.108 -6.023 1.00 0.00 N ATOM 0 H HIS B 5 5.881 7.040 -6.616 1.00 0.00 H new ATOM 0 HA HIS B 5 3.493 8.128 -5.215 1.00 0.00 H new ATOM 0 HB2 HIS B 5 4.854 8.471 -7.836 1.00 0.00 H new ATOM 0 HB3 HIS B 5 3.103 8.491 -7.896 1.00 0.00 H new ATOM 0 HD2 HIS B 5 5.899 10.913 -7.119 1.00 0.00 H new ATOM 0 HE1 HIS B 5 2.513 12.436 -5.093 1.00 0.00 H new ATOM 0 HE2 HIS B 5 4.906 12.993 -5.864 1.00 0.00 H new ATOM 400 N LEU B 6 1.948 6.234 -5.835 1.00 0.00 N ATOM 401 CA LEU B 6 1.102 5.054 -6.166 1.00 0.00 C ATOM 402 C LEU B 6 -0.263 5.514 -6.671 1.00 0.00 C ATOM 403 O LEU B 6 -1.024 6.122 -5.949 1.00 0.00 O ATOM 404 CB LEU B 6 0.904 4.204 -4.908 1.00 0.00 C ATOM 405 CG LEU B 6 2.125 3.308 -4.657 1.00 0.00 C ATOM 406 CD1 LEU B 6 2.047 2.090 -5.567 1.00 0.00 C ATOM 407 CD2 LEU B 6 3.427 4.060 -4.945 1.00 0.00 C ATOM 0 H LEU B 6 1.590 6.837 -5.094 1.00 0.00 H new ATOM 0 HA LEU B 6 1.597 4.469 -6.941 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.740 4.853 -4.047 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.011 3.588 -5.017 1.00 0.00 H new ATOM 0 HG LEU B 6 2.121 3.005 -3.610 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.912 1.450 -5.393 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.135 1.533 -5.353 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.039 2.413 -6.608 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.276 3.402 -4.759 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.439 4.382 -5.986 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.495 4.932 -4.295 1.00 0.00 H new ATOM 419 N CYS B 7 -0.589 5.215 -7.898 1.00 0.00 N ATOM 420 CA CYS B 7 -1.919 5.630 -8.429 1.00 0.00 C ATOM 421 C CYS B 7 -2.478 4.539 -9.346 1.00 0.00 C ATOM 422 O CYS B 7 -2.086 4.408 -10.488 1.00 0.00 O ATOM 423 CB CYS B 7 -1.785 6.940 -9.210 1.00 0.00 C ATOM 424 SG CYS B 7 -3.333 7.869 -9.087 1.00 0.00 S ATOM 0 H CYS B 7 0.003 4.705 -8.553 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.602 5.780 -7.593 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.960 7.531 -8.813 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.554 6.732 -10.255 1.00 0.00 H new HETATM 429 N DAL B 8 -3.402 3.764 -8.848 1.00 0.00 N HETATM 430 CA DAL B 8 -4.010 2.682 -9.678 1.00 0.00 C HETATM 431 CB DAL B 8 -4.852 1.771 -8.784 1.00 0.00 C HETATM 432 C DAL B 8 -2.914 1.854 -10.357 1.00 0.00 C HETATM 433 O DAL B 8 -2.259 1.044 -9.733 1.00 0.00 O HETATM 0 HB3 DAL B 8 -4.218 1.328 -8.016 1.00 0.00 H new HETATM 0 HB2 DAL B 8 -5.642 2.355 -8.311 1.00 0.00 H new HETATM 0 HB1 DAL B 8 -5.297 0.980 -9.387 1.00 0.00 H new HETATM 0 HA DAL B 8 -4.639 3.134 -10.445 1.00 0.00 H new HETATM 0 H DAL B 8 -3.584 3.800 -7.845 1.00 0.00 H new ATOM 439 N SER B 9 -2.727 2.046 -11.636 1.00 0.00 N ATOM 440 CA SER B 9 -1.691 1.271 -12.379 1.00 0.00 C ATOM 441 C SER B 9 -0.439 1.109 -11.519 1.00 0.00 C ATOM 442 O SER B 9 0.153 0.051 -11.468 1.00 0.00 O ATOM 443 CB SER B 9 -1.329 2.011 -13.667 1.00 0.00 C ATOM 444 OG SER B 9 -2.513 2.274 -14.407 1.00 0.00 O ATOM 0 H SER B 9 -3.252 2.712 -12.202 1.00 0.00 H new ATOM 0 HA SER B 9 -2.089 0.285 -12.619 1.00 0.00 H new ATOM 0 HB2 SER B 9 -0.818 2.945 -13.432 1.00 0.00 H new ATOM 0 HB3 SER B 9 -0.640 1.412 -14.262 1.00 0.00 H new ATOM 0 HG SER B 9 -2.284 2.750 -15.232 1.00 0.00 H new ATOM 450 N ASP B 10 -0.033 2.144 -10.836 1.00 0.00 N ATOM 451 CA ASP B 10 1.182 2.029 -9.979 1.00 0.00 C ATOM 452 C ASP B 10 0.773 1.445 -8.631 1.00 0.00 C ATOM 453 O ASP B 10 1.544 0.781 -7.965 1.00 0.00 O ATOM 454 CB ASP B 10 1.836 3.405 -9.778 1.00 0.00 C ATOM 455 CG ASP B 10 1.329 4.393 -10.834 1.00 0.00 C ATOM 456 OD1 ASP B 10 1.212 3.995 -11.981 1.00 0.00 O ATOM 457 OD2 ASP B 10 1.065 5.528 -10.475 1.00 0.00 O ATOM 0 H ASP B 10 -0.486 3.058 -10.833 1.00 0.00 H new ATOM 0 HA ASP B 10 1.908 1.378 -10.465 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.610 3.781 -8.780 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.920 3.314 -9.846 1.00 0.00 H new ATOM 462 N LEU B 11 -0.447 1.667 -8.237 1.00 0.00 N ATOM 463 CA LEU B 11 -0.931 1.105 -6.947 1.00 0.00 C ATOM 464 C LEU B 11 -0.758 -0.410 -6.999 1.00 0.00 C ATOM 465 O LEU B 11 -0.031 -0.999 -6.224 1.00 0.00 O ATOM 466 CB LEU B 11 -2.426 1.410 -6.792 1.00 0.00 C ATOM 467 CG LEU B 11 -2.705 2.296 -5.564 1.00 0.00 C ATOM 468 CD1 LEU B 11 -1.877 1.833 -4.366 1.00 0.00 C ATOM 469 CD2 LEU B 11 -2.371 3.756 -5.874 1.00 0.00 C ATOM 0 H LEU B 11 -1.134 2.216 -8.755 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.374 1.538 -6.116 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.790 1.909 -7.690 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.980 0.476 -6.699 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.764 2.210 -5.321 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.089 2.472 -3.509 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.134 0.802 -4.123 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.817 1.894 -4.611 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -2.573 4.370 -4.996 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.317 3.840 -6.140 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.984 4.101 -6.707 1.00 0.00 H new ATOM 481 N VAL B 12 -1.433 -1.037 -7.921 1.00 0.00 N ATOM 482 CA VAL B 12 -1.332 -2.512 -8.058 1.00 0.00 C ATOM 483 C VAL B 12 0.101 -2.887 -8.433 1.00 0.00 C ATOM 484 O VAL B 12 0.712 -3.735 -7.813 1.00 0.00 O ATOM 485 CB VAL B 12 -2.291 -2.979 -9.154 1.00 0.00 C ATOM 486 CG1 VAL B 12 -2.616 -4.457 -8.950 1.00 0.00 C ATOM 487 CG2 VAL B 12 -3.583 -2.162 -9.084 1.00 0.00 C ATOM 0 H VAL B 12 -2.055 -0.584 -8.590 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.595 -2.992 -7.115 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.823 -2.839 -10.129 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.300 -4.790 -9.731 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.697 -5.042 -8.998 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.084 -4.596 -7.975 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.267 -2.495 -9.865 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.050 -2.302 -8.109 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.354 -1.106 -9.228 1.00 0.00 H new ATOM 497 N GLU B 13 0.650 -2.258 -9.437 1.00 0.00 N ATOM 498 CA GLU B 13 2.048 -2.582 -9.833 1.00 0.00 C ATOM 499 C GLU B 13 2.911 -2.622 -8.576 1.00 0.00 C ATOM 500 O GLU B 13 3.915 -3.304 -8.515 1.00 0.00 O ATOM 501 CB GLU B 13 2.578 -1.506 -10.784 1.00 0.00 C ATOM 502 CG GLU B 13 2.511 -2.020 -12.224 1.00 0.00 C ATOM 503 CD GLU B 13 3.312 -1.091 -13.137 1.00 0.00 C ATOM 504 OE1 GLU B 13 3.060 0.103 -13.103 1.00 0.00 O ATOM 505 OE2 GLU B 13 4.165 -1.587 -13.854 1.00 0.00 O ATOM 0 H GLU B 13 0.193 -1.538 -9.997 1.00 0.00 H new ATOM 0 HA GLU B 13 2.077 -3.547 -10.339 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.988 -0.595 -10.684 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.606 -1.251 -10.525 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.910 -3.033 -12.278 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.474 -2.068 -12.556 1.00 0.00 H new ATOM 512 N ALA B 14 2.516 -1.900 -7.565 1.00 0.00 N ATOM 513 CA ALA B 14 3.292 -1.892 -6.299 1.00 0.00 C ATOM 514 C ALA B 14 2.941 -3.144 -5.505 1.00 0.00 C ATOM 515 O ALA B 14 3.761 -4.016 -5.300 1.00 0.00 O ATOM 516 CB ALA B 14 2.907 -0.659 -5.488 1.00 0.00 C ATOM 0 H ALA B 14 1.683 -1.312 -7.564 1.00 0.00 H new ATOM 0 HA ALA B 14 4.361 -1.872 -6.512 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.472 -0.645 -4.556 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.132 0.239 -6.063 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.841 -0.689 -5.265 1.00 0.00 H new ATOM 522 N LEU B 15 1.718 -3.242 -5.066 1.00 0.00 N ATOM 523 CA LEU B 15 1.303 -4.443 -4.295 1.00 0.00 C ATOM 524 C LEU B 15 1.710 -5.691 -5.075 1.00 0.00 C ATOM 525 O LEU B 15 1.891 -6.755 -4.517 1.00 0.00 O ATOM 526 CB LEU B 15 -0.213 -4.425 -4.103 1.00 0.00 C ATOM 527 CG LEU B 15 -0.607 -3.172 -3.310 1.00 0.00 C ATOM 528 CD1 LEU B 15 -2.060 -2.787 -3.613 1.00 0.00 C ATOM 529 CD2 LEU B 15 -0.459 -3.455 -1.814 1.00 0.00 C ATOM 0 H LEU B 15 0.989 -2.543 -5.208 1.00 0.00 H new ATOM 0 HA LEU B 15 1.786 -4.446 -3.318 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.714 -4.430 -5.071 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.535 -5.321 -3.573 1.00 0.00 H new ATOM 0 HG LEU B 15 0.045 -2.348 -3.599 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.327 -1.896 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.168 -2.583 -4.678 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.720 -3.608 -3.333 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.738 -2.567 -1.246 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.110 -4.284 -1.534 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.576 -3.716 -1.594 1.00 0.00 H new ATOM 541 N TYR B 16 1.867 -5.562 -6.365 1.00 0.00 N ATOM 542 CA TYR B 16 2.275 -6.735 -7.187 1.00 0.00 C ATOM 543 C TYR B 16 3.731 -7.080 -6.870 1.00 0.00 C ATOM 544 O TYR B 16 4.057 -8.206 -6.550 1.00 0.00 O ATOM 545 CB TYR B 16 2.141 -6.388 -8.670 1.00 0.00 C ATOM 546 CG TYR B 16 2.579 -7.566 -9.506 1.00 0.00 C ATOM 547 CD1 TYR B 16 3.943 -7.828 -9.688 1.00 0.00 C ATOM 548 CD2 TYR B 16 1.621 -8.398 -10.101 1.00 0.00 C ATOM 549 CE1 TYR B 16 4.351 -8.921 -10.465 1.00 0.00 C ATOM 550 CE2 TYR B 16 2.028 -9.491 -10.878 1.00 0.00 C ATOM 551 CZ TYR B 16 3.393 -9.752 -11.060 1.00 0.00 C ATOM 552 OH TYR B 16 3.793 -10.829 -11.825 1.00 0.00 O ATOM 0 H TYR B 16 1.730 -4.695 -6.884 1.00 0.00 H new ATOM 0 HA TYR B 16 1.636 -7.588 -6.959 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.108 -6.129 -8.901 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.749 -5.515 -8.906 1.00 0.00 H new ATOM 0 HD1 TYR B 16 4.681 -7.187 -9.229 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.569 -8.197 -9.961 1.00 0.00 H new ATOM 0 HE1 TYR B 16 5.403 -9.122 -10.605 1.00 0.00 H new ATOM 0 HE2 TYR B 16 1.290 -10.132 -11.337 1.00 0.00 H new ATOM 0 HH TYR B 16 3.004 -11.301 -12.163 1.00 0.00 H new ATOM 562 N LEU B 17 4.605 -6.113 -6.944 1.00 0.00 N ATOM 563 CA LEU B 17 6.038 -6.378 -6.636 1.00 0.00 C ATOM 564 C LEU B 17 6.224 -6.406 -5.119 1.00 0.00 C ATOM 565 O LEU B 17 7.028 -7.148 -4.593 1.00 0.00 O ATOM 566 CB LEU B 17 6.904 -5.268 -7.238 1.00 0.00 C ATOM 567 CG LEU B 17 7.867 -5.868 -8.263 1.00 0.00 C ATOM 568 CD1 LEU B 17 8.630 -4.743 -8.964 1.00 0.00 C ATOM 569 CD2 LEU B 17 8.860 -6.787 -7.549 1.00 0.00 C ATOM 0 H LEU B 17 4.388 -5.151 -7.205 1.00 0.00 H new ATOM 0 HA LEU B 17 6.336 -7.336 -7.061 1.00 0.00 H new ATOM 0 HB2 LEU B 17 6.272 -4.517 -7.713 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.463 -4.762 -6.451 1.00 0.00 H new ATOM 0 HG LEU B 17 7.304 -6.441 -9.000 1.00 0.00 H new ATOM 0 HD11 LEU B 17 9.317 -5.170 -9.695 1.00 0.00 H new ATOM 0 HD12 LEU B 17 7.924 -4.085 -9.470 1.00 0.00 H new ATOM 0 HD13 LEU B 17 9.194 -4.171 -8.227 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.548 -7.216 -8.278 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.423 -6.213 -6.813 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.318 -7.588 -7.046 1.00 0.00 H new ATOM 581 N VAL B 18 5.475 -5.603 -4.411 1.00 0.00 N ATOM 582 CA VAL B 18 5.598 -5.580 -2.927 1.00 0.00 C ATOM 583 C VAL B 18 5.012 -6.872 -2.355 1.00 0.00 C ATOM 584 O VAL B 18 5.645 -7.567 -1.585 1.00 0.00 O ATOM 585 CB VAL B 18 4.823 -4.383 -2.372 1.00 0.00 C ATOM 586 CG1 VAL B 18 5.249 -4.117 -0.928 1.00 0.00 C ATOM 587 CG2 VAL B 18 5.120 -3.146 -3.223 1.00 0.00 C ATOM 0 H VAL B 18 4.783 -4.962 -4.798 1.00 0.00 H new ATOM 0 HA VAL B 18 6.648 -5.496 -2.646 1.00 0.00 H new ATOM 0 HB VAL B 18 3.755 -4.601 -2.400 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.695 -3.264 -0.536 1.00 0.00 H new ATOM 0 HG12 VAL B 18 5.039 -4.996 -0.319 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.317 -3.901 -0.898 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.569 -2.292 -2.829 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.188 -2.933 -3.194 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.815 -3.331 -4.253 1.00 0.00 H new ATOM 597 N CYS B 19 3.806 -7.198 -2.728 1.00 0.00 N ATOM 598 CA CYS B 19 3.172 -8.442 -2.213 1.00 0.00 C ATOM 599 C CYS B 19 3.282 -9.544 -3.269 1.00 0.00 C ATOM 600 O CYS B 19 3.790 -10.616 -3.012 1.00 0.00 O ATOM 601 CB CYS B 19 1.699 -8.175 -1.910 1.00 0.00 C ATOM 602 SG CYS B 19 1.517 -7.700 -0.173 1.00 0.00 S ATOM 0 H CYS B 19 3.230 -6.653 -3.370 1.00 0.00 H new ATOM 0 HA CYS B 19 3.679 -8.758 -1.302 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.322 -7.383 -2.556 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.106 -9.066 -2.119 1.00 0.00 H new ATOM 607 N GLY B 20 2.809 -9.285 -4.457 1.00 0.00 N ATOM 608 CA GLY B 20 2.885 -10.313 -5.531 1.00 0.00 C ATOM 609 C GLY B 20 1.843 -11.403 -5.275 1.00 0.00 C ATOM 610 O GLY B 20 0.724 -11.130 -4.888 1.00 0.00 O ATOM 0 H GLY B 20 2.373 -8.404 -4.730 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.711 -9.851 -6.503 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.883 -10.750 -5.560 1.00 0.00 H new ATOM 614 N GLU B 21 2.207 -12.636 -5.490 1.00 0.00 N ATOM 615 CA GLU B 21 1.243 -13.749 -5.264 1.00 0.00 C ATOM 616 C GLU B 21 0.919 -13.855 -3.771 1.00 0.00 C ATOM 617 O GLU B 21 0.050 -14.601 -3.367 1.00 0.00 O ATOM 618 CB GLU B 21 1.862 -15.062 -5.747 1.00 0.00 C ATOM 619 CG GLU B 21 2.091 -14.993 -7.257 1.00 0.00 C ATOM 620 CD GLU B 21 0.817 -15.420 -7.989 1.00 0.00 C ATOM 621 OE1 GLU B 21 0.270 -16.449 -7.629 1.00 0.00 O ATOM 622 OE2 GLU B 21 0.411 -14.713 -8.894 1.00 0.00 O ATOM 0 H GLU B 21 3.131 -12.922 -5.813 1.00 0.00 H new ATOM 0 HA GLU B 21 0.325 -13.552 -5.818 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.806 -15.242 -5.233 1.00 0.00 H new ATOM 0 HB3 GLU B 21 1.204 -15.897 -5.506 1.00 0.00 H new ATOM 0 HG2 GLU B 21 2.367 -13.979 -7.547 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.920 -15.642 -7.539 1.00 0.00 H new ATOM 629 N ARG B 22 1.611 -13.115 -2.947 1.00 0.00 N ATOM 630 CA ARG B 22 1.338 -13.177 -1.483 1.00 0.00 C ATOM 631 C ARG B 22 -0.140 -12.875 -1.227 1.00 0.00 C ATOM 632 O ARG B 22 -0.673 -13.179 -0.180 1.00 0.00 O ATOM 633 CB ARG B 22 2.203 -12.146 -0.753 1.00 0.00 C ATOM 634 CG ARG B 22 3.676 -12.545 -0.858 1.00 0.00 C ATOM 635 CD ARG B 22 4.507 -11.686 0.097 1.00 0.00 C ATOM 636 NE ARG B 22 4.611 -12.368 1.417 1.00 0.00 N ATOM 637 CZ ARG B 22 5.712 -12.985 1.749 1.00 0.00 C ATOM 638 NH1 ARG B 22 6.852 -12.351 1.717 1.00 0.00 N ATOM 639 NH2 ARG B 22 5.673 -14.238 2.113 1.00 0.00 N ATOM 0 H ARG B 22 2.352 -12.471 -3.224 1.00 0.00 H new ATOM 0 HA ARG B 22 1.576 -14.174 -1.113 1.00 0.00 H new ATOM 0 HB2 ARG B 22 2.052 -11.157 -1.186 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.906 -12.084 0.294 1.00 0.00 H new ATOM 0 HG2 ARG B 22 3.796 -13.600 -0.613 1.00 0.00 H new ATOM 0 HG3 ARG B 22 4.027 -12.413 -1.881 1.00 0.00 H new ATOM 0 HD2 ARG B 22 5.501 -11.520 -0.318 1.00 0.00 H new ATOM 0 HD3 ARG B 22 4.045 -10.706 0.217 1.00 0.00 H new ATOM 0 HE ARG B 22 3.821 -12.353 2.062 1.00 0.00 H new ATOM 0 HH11 ARG B 22 6.883 -11.372 1.432 1.00 0.00 H new ATOM 0 HH12 ARG B 22 7.712 -12.834 1.977 1.00 0.00 H new ATOM 0 HH21 ARG B 22 4.782 -14.734 2.138 1.00 0.00 H new ATOM 0 HH22 ARG B 22 6.533 -14.721 2.373 1.00 0.00 H new ATOM 653 N GLY B 23 -0.805 -12.279 -2.178 1.00 0.00 N ATOM 654 CA GLY B 23 -2.248 -11.960 -1.987 1.00 0.00 C ATOM 655 C GLY B 23 -2.409 -10.467 -1.673 1.00 0.00 C ATOM 656 O GLY B 23 -2.410 -10.065 -0.527 1.00 0.00 O ATOM 0 H GLY B 23 -0.413 -12.000 -3.077 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.809 -12.215 -2.886 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.659 -12.559 -1.174 1.00 0.00 H new ATOM 660 N PHE B 24 -2.545 -9.639 -2.678 1.00 0.00 N ATOM 661 CA PHE B 24 -2.707 -8.178 -2.419 1.00 0.00 C ATOM 662 C PHE B 24 -3.953 -7.658 -3.141 1.00 0.00 C ATOM 663 O PHE B 24 -4.243 -8.039 -4.258 1.00 0.00 O ATOM 664 CB PHE B 24 -1.464 -7.416 -2.909 1.00 0.00 C ATOM 665 CG PHE B 24 -1.516 -7.236 -4.414 1.00 0.00 C ATOM 666 CD1 PHE B 24 -2.330 -6.240 -4.979 1.00 0.00 C ATOM 667 CD2 PHE B 24 -0.751 -8.066 -5.246 1.00 0.00 C ATOM 668 CE1 PHE B 24 -2.377 -6.081 -6.370 1.00 0.00 C ATOM 669 CE2 PHE B 24 -0.799 -7.904 -6.636 1.00 0.00 C ATOM 670 CZ PHE B 24 -1.612 -6.913 -7.197 1.00 0.00 C ATOM 0 H PHE B 24 -2.551 -9.911 -3.661 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.821 -8.018 -1.347 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.410 -6.443 -2.421 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.562 -7.962 -2.632 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -2.919 -5.597 -4.341 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.124 -8.832 -4.814 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -3.004 -5.316 -6.805 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -0.209 -8.544 -7.275 1.00 0.00 H new ATOM 0 HZ PHE B 24 -1.650 -6.790 -8.269 1.00 0.00 H new ATOM 680 N PHE B 25 -4.690 -6.787 -2.508 1.00 0.00 N ATOM 681 CA PHE B 25 -5.917 -6.235 -3.148 1.00 0.00 C ATOM 682 C PHE B 25 -6.213 -4.854 -2.560 1.00 0.00 C ATOM 683 O PHE B 25 -6.961 -4.721 -1.611 1.00 0.00 O ATOM 684 CB PHE B 25 -7.099 -7.168 -2.872 1.00 0.00 C ATOM 685 CG PHE B 25 -7.315 -7.278 -1.381 1.00 0.00 C ATOM 686 CD1 PHE B 25 -6.363 -7.925 -0.583 1.00 0.00 C ATOM 687 CD2 PHE B 25 -8.467 -6.734 -0.798 1.00 0.00 C ATOM 688 CE1 PHE B 25 -6.562 -8.027 0.800 1.00 0.00 C ATOM 689 CE2 PHE B 25 -8.666 -6.837 0.585 1.00 0.00 C ATOM 690 CZ PHE B 25 -7.713 -7.484 1.385 1.00 0.00 C ATOM 0 H PHE B 25 -4.494 -6.433 -1.572 1.00 0.00 H new ATOM 0 HA PHE B 25 -5.763 -6.151 -4.224 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.999 -6.785 -3.353 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.905 -8.153 -3.296 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -5.476 -8.345 -1.034 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -9.201 -6.236 -1.414 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -5.827 -8.525 1.416 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.554 -6.418 1.035 1.00 0.00 H new ATOM 0 HZ PHE B 25 -7.866 -7.563 2.451 1.00 0.00 H new ATOM 700 N TYR B 26 -5.631 -3.822 -3.108 1.00 0.00 N ATOM 701 CA TYR B 26 -5.881 -2.456 -2.569 1.00 0.00 C ATOM 702 C TYR B 26 -7.387 -2.174 -2.566 1.00 0.00 C ATOM 703 O TYR B 26 -8.175 -2.957 -3.057 1.00 0.00 O ATOM 704 CB TYR B 26 -5.153 -1.416 -3.434 1.00 0.00 C ATOM 705 CG TYR B 26 -5.945 -1.135 -4.691 1.00 0.00 C ATOM 706 CD1 TYR B 26 -6.303 -2.185 -5.545 1.00 0.00 C ATOM 707 CD2 TYR B 26 -6.322 0.179 -5.001 1.00 0.00 C ATOM 708 CE1 TYR B 26 -7.038 -1.923 -6.708 1.00 0.00 C ATOM 709 CE2 TYR B 26 -7.058 0.441 -6.163 1.00 0.00 C ATOM 710 CZ TYR B 26 -7.416 -0.609 -7.017 1.00 0.00 C ATOM 711 OH TYR B 26 -8.141 -0.351 -8.163 1.00 0.00 O ATOM 0 H TYR B 26 -4.995 -3.866 -3.904 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.504 -2.394 -1.548 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.015 -0.494 -2.869 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.160 -1.781 -3.695 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.012 -3.197 -5.307 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.045 0.990 -4.343 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -7.314 -2.733 -7.367 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.350 1.453 -6.401 1.00 0.00 H new ATOM 0 HH TYR B 26 -8.321 0.610 -8.226 1.00 0.00 H new ATOM 721 N THR B 27 -7.790 -1.062 -2.015 1.00 0.00 N ATOM 722 CA THR B 27 -9.241 -0.730 -1.980 1.00 0.00 C ATOM 723 C THR B 27 -9.658 -0.120 -3.319 1.00 0.00 C ATOM 724 O THR B 27 -9.166 0.916 -3.719 1.00 0.00 O ATOM 725 CB THR B 27 -9.508 0.277 -0.858 1.00 0.00 C ATOM 726 OG1 THR B 27 -8.301 0.529 -0.155 1.00 0.00 O ATOM 727 CG2 THR B 27 -10.551 -0.292 0.104 1.00 0.00 C ATOM 0 H THR B 27 -7.176 -0.369 -1.587 1.00 0.00 H new ATOM 0 HA THR B 27 -9.816 -1.638 -1.799 1.00 0.00 H new ATOM 0 HB THR B 27 -9.882 1.207 -1.286 1.00 0.00 H new ATOM 0 HG1 THR B 27 -8.469 1.175 0.563 1.00 0.00 H new ATOM 0 HG21 THR B 27 -10.740 0.426 0.902 1.00 0.00 H new ATOM 0 HG22 THR B 27 -11.477 -0.486 -0.437 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.180 -1.223 0.534 1.00 0.00 H new ATOM 735 N LYS B 28 -10.560 -0.754 -4.016 1.00 0.00 N ATOM 736 CA LYS B 28 -11.005 -0.206 -5.329 1.00 0.00 C ATOM 737 C LYS B 28 -11.870 1.037 -5.100 1.00 0.00 C ATOM 738 O LYS B 28 -11.603 2.083 -5.658 1.00 0.00 O ATOM 739 CB LYS B 28 -11.814 -1.265 -6.080 1.00 0.00 C ATOM 740 CG LYS B 28 -11.232 -1.452 -7.482 1.00 0.00 C ATOM 741 CD LYS B 28 -11.499 -2.881 -7.960 1.00 0.00 C ATOM 742 CE LYS B 28 -10.168 -3.605 -8.173 1.00 0.00 C ATOM 743 NZ LYS B 28 -10.186 -4.299 -9.491 1.00 0.00 N ATOM 0 H LYS B 28 -11.008 -1.626 -3.734 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.132 0.067 -5.921 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.791 -2.209 -5.536 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -12.859 -0.961 -6.146 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.680 -0.737 -8.172 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -10.160 -1.255 -7.471 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -12.102 -3.415 -7.225 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.069 -2.865 -8.889 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.344 -2.892 -8.136 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -10.002 -4.326 -7.373 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.282 -4.791 -9.636 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -10.963 -4.990 -9.509 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -10.326 -3.601 -10.249 1.00 0.00 H new ATOM 757 N PRO B 29 -12.886 0.889 -4.285 1.00 0.00 N ATOM 758 CA PRO B 29 -13.809 1.991 -3.964 1.00 0.00 C ATOM 759 C PRO B 29 -13.179 2.934 -2.936 1.00 0.00 C ATOM 760 O PRO B 29 -12.702 2.510 -1.902 1.00 0.00 O ATOM 761 CB PRO B 29 -15.028 1.277 -3.373 1.00 0.00 C ATOM 762 CG PRO B 29 -14.526 -0.096 -2.865 1.00 0.00 C ATOM 763 CD PRO B 29 -13.208 -0.386 -3.609 1.00 0.00 C ATOM 0 HA PRO B 29 -14.058 2.607 -4.828 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -15.461 1.858 -2.559 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -15.807 1.152 -4.125 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -14.366 -0.075 -1.787 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -15.262 -0.875 -3.063 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -12.418 -0.682 -2.919 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -13.326 -1.198 -4.326 1.00 0.00 H new ATOM 771 N THR B 30 -13.174 4.209 -3.213 1.00 0.00 N ATOM 772 CA THR B 30 -12.573 5.177 -2.253 1.00 0.00 C ATOM 773 C THR B 30 -13.665 6.106 -1.718 1.00 0.00 C ATOM 774 O THR B 30 -14.484 5.641 -0.943 1.00 0.00 O ATOM 775 CB THR B 30 -11.502 6.004 -2.966 1.00 0.00 C ATOM 776 OG1 THR B 30 -11.530 5.712 -4.356 1.00 0.00 O ATOM 777 CG2 THR B 30 -10.124 5.657 -2.399 1.00 0.00 C ATOM 778 OXT THR B 30 -13.663 7.267 -2.093 1.00 0.00 O ATOM 0 H THR B 30 -13.560 4.622 -4.062 1.00 0.00 H new ATOM 0 HA THR B 30 -12.119 4.634 -1.424 1.00 0.00 H new ATOM 0 HB THR B 30 -11.699 7.065 -2.812 1.00 0.00 H new ATOM 0 HG1 THR B 30 -10.846 6.242 -4.815 1.00 0.00 H new ATOM 0 HG21 THR B 30 -9.362 6.247 -2.908 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.103 5.880 -1.332 1.00 0.00 H new ATOM 0 HG23 THR B 30 -9.924 4.597 -2.552 1.00 0.00 H new TER 786 THR B 30