USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 522 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 Single : A 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 CYS SG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.6 X(o=-0.6,f=-0.38) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.47) USER MOD Single : A 21 GLN : amide:sc= -0.0438 K(o=-0.044,f=-1.7) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 73:sc= -0.213 USER MOD Single : A 29 GLN : amide:sc= -0.0546 K(o=-0.055,f=-1.2!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HE2:sc= -7.63! C(o=-7.6!,f=-17!) USER MOD Single : B 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 CYS SG : rot 180:sc= 0 USER MOD Single : B 5 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.035) USER MOD Single : B 8 GLN : amide:sc= -0.0232 X(o=-0.023,f=-0.44) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.28) USER MOD Single : B 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot 90:sc= 1.02 USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : B 30 GLN : amide:sc= -0.533 K(o=-0.53,f=-3.2!) USER MOD Single : B 31 HIS :FLIP no HE2:sc= -6.19! C(o=-7.7!,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 11.906 24.361 -7.661 1.00 4.71 N ATOM 2 CA CYS A 1 10.495 24.112 -8.055 1.00 4.20 C ATOM 3 C CYS A 1 9.964 22.829 -7.422 1.00 3.72 C ATOM 4 O CYS A 1 10.456 21.737 -7.704 1.00 4.32 O ATOM 5 CB CYS A 1 10.424 24.016 -9.580 1.00 4.04 C ATOM 6 SG CYS A 1 8.916 24.712 -10.295 1.00 4.94 S ATOM 0 H1 CYS A 1 12.241 25.239 -8.106 1.00 4.71 H new ATOM 0 H2 CYS A 1 11.967 24.452 -6.627 1.00 4.71 H new ATOM 0 H3 CYS A 1 12.499 23.566 -7.974 1.00 4.71 H new ATOM 0 HA CYS A 1 9.874 24.935 -7.701 1.00 4.20 H new ATOM 0 HB2 CYS A 1 11.286 24.530 -10.006 1.00 4.04 H new ATOM 0 HB3 CYS A 1 10.501 22.968 -9.871 1.00 4.04 H new ATOM 0 HG CYS A 1 8.951 24.586 -11.588 1.00 4.94 H new ATOM 12 N GLY A 2 8.958 22.972 -6.565 1.00 3.04 N ATOM 13 CA GLY A 2 8.377 21.817 -5.906 1.00 2.89 C ATOM 14 C GLY A 2 7.785 22.158 -4.553 1.00 2.25 C ATOM 15 O GLY A 2 6.604 21.910 -4.305 1.00 2.72 O ATOM 0 H GLY A 2 8.535 23.866 -6.315 1.00 3.04 H new ATOM 0 HA2 GLY A 2 7.601 21.392 -6.542 1.00 2.89 H new ATOM 0 HA3 GLY A 2 9.142 21.051 -5.782 1.00 2.89 H new ATOM 19 N GLY A 3 8.606 22.727 -3.676 1.00 1.84 N ATOM 20 CA GLY A 3 8.138 23.092 -2.351 1.00 1.56 C ATOM 21 C GLY A 3 7.831 21.883 -1.492 1.00 1.41 C ATOM 22 O GLY A 3 8.468 20.838 -1.626 1.00 1.64 O ATOM 0 H GLY A 3 9.586 22.942 -3.859 1.00 1.84 H new ATOM 0 HA2 GLY A 3 8.894 23.702 -1.857 1.00 1.56 H new ATOM 0 HA3 GLY A 3 7.242 23.706 -2.442 1.00 1.56 H new ATOM 26 N ASP A 4 6.853 22.023 -0.603 1.00 1.16 N ATOM 27 CA ASP A 4 6.462 20.935 0.283 1.00 1.32 C ATOM 28 C ASP A 4 5.341 20.097 -0.326 1.00 1.31 C ATOM 29 O ASP A 4 4.729 19.278 0.359 1.00 1.72 O ATOM 30 CB ASP A 4 6.007 21.489 1.629 1.00 1.55 C ATOM 31 CG ASP A 4 7.120 22.207 2.367 1.00 2.07 C ATOM 32 OD1 ASP A 4 8.206 21.610 2.531 1.00 2.71 O ATOM 33 OD2 ASP A 4 6.906 23.364 2.784 1.00 2.50 O ATOM 0 H ASP A 4 6.316 22.881 -0.478 1.00 1.16 H new ATOM 0 HA ASP A 4 7.333 20.295 0.425 1.00 1.32 H new ATOM 0 HB2 ASP A 4 5.176 22.177 1.473 1.00 1.55 H new ATOM 0 HB3 ASP A 4 5.633 20.672 2.247 1.00 1.55 H new ATOM 38 N ASN A 5 5.079 20.297 -1.616 1.00 1.09 N ATOM 39 CA ASN A 5 4.034 19.545 -2.303 1.00 1.25 C ATOM 40 C ASN A 5 4.225 18.055 -2.056 1.00 1.13 C ATOM 41 O ASN A 5 3.261 17.297 -1.955 1.00 1.48 O ATOM 42 CB ASN A 5 4.057 19.839 -3.805 1.00 1.53 C ATOM 43 CG ASN A 5 2.962 19.105 -4.555 1.00 2.03 C ATOM 44 OD1 ASN A 5 3.203 18.518 -5.610 1.00 2.64 O ATOM 45 ND2 ASN A 5 1.749 19.133 -4.012 1.00 2.27 N ATOM 0 H ASN A 5 5.573 20.969 -2.203 1.00 1.09 H new ATOM 0 HA ASN A 5 3.065 19.852 -1.909 1.00 1.25 H new ATOM 0 HB2 ASN A 5 3.946 20.912 -3.964 1.00 1.53 H new ATOM 0 HB3 ASN A 5 5.027 19.554 -4.213 1.00 1.53 H new ATOM 0 HD21 ASN A 5 0.973 18.656 -4.471 1.00 2.27 H new ATOM 0 HD22 ASN A 5 1.594 19.632 -3.136 1.00 2.27 H new ATOM 52 N ILE A 6 5.485 17.656 -1.939 1.00 0.80 N ATOM 53 CA ILE A 6 5.831 16.271 -1.677 1.00 0.71 C ATOM 54 C ILE A 6 5.389 15.883 -0.271 1.00 0.63 C ATOM 55 O ILE A 6 4.780 14.836 -0.066 1.00 0.60 O ATOM 56 CB ILE A 6 7.351 16.052 -1.823 1.00 0.75 C ATOM 57 CG1 ILE A 6 7.744 16.006 -3.300 1.00 1.10 C ATOM 58 CG2 ILE A 6 7.801 14.784 -1.110 1.00 1.03 C ATOM 59 CD1 ILE A 6 9.222 16.223 -3.529 1.00 1.80 C ATOM 0 H ILE A 6 6.288 18.280 -2.023 1.00 0.80 H new ATOM 0 HA ILE A 6 5.317 15.644 -2.405 1.00 0.71 H new ATOM 0 HB ILE A 6 7.857 16.895 -1.352 1.00 0.75 H new ATOM 0 HG12 ILE A 6 7.456 15.041 -3.716 1.00 1.10 H new ATOM 0 HG13 ILE A 6 7.183 16.767 -3.843 1.00 1.10 H new ATOM 0 HG21 ILE A 6 8.877 14.660 -1.233 1.00 1.03 H new ATOM 0 HG22 ILE A 6 7.563 14.859 -0.049 1.00 1.03 H new ATOM 0 HG23 ILE A 6 7.285 13.924 -1.537 1.00 1.03 H new ATOM 0 HD11 ILE A 6 9.435 16.178 -4.597 1.00 1.80 H new ATOM 0 HD12 ILE A 6 9.511 17.200 -3.142 1.00 1.80 H new ATOM 0 HD13 ILE A 6 9.788 15.447 -3.013 1.00 1.80 H new ATOM 71 N GLU A 7 5.699 16.749 0.690 1.00 0.66 N ATOM 72 CA GLU A 7 5.336 16.520 2.084 1.00 0.63 C ATOM 73 C GLU A 7 3.837 16.276 2.209 1.00 0.59 C ATOM 74 O GLU A 7 3.393 15.414 2.969 1.00 0.56 O ATOM 75 CB GLU A 7 5.747 17.722 2.937 1.00 0.76 C ATOM 76 CG GLU A 7 5.374 17.586 4.405 1.00 0.78 C ATOM 77 CD GLU A 7 6.106 18.578 5.287 1.00 1.41 C ATOM 78 OE1 GLU A 7 7.352 18.514 5.346 1.00 2.15 O ATOM 79 OE2 GLU A 7 5.433 19.420 5.919 1.00 1.96 O ATOM 0 H GLU A 7 6.204 17.620 0.527 1.00 0.66 H new ATOM 0 HA GLU A 7 5.863 15.635 2.442 1.00 0.63 H new ATOM 0 HB2 GLU A 7 6.825 17.862 2.857 1.00 0.76 H new ATOM 0 HB3 GLU A 7 5.278 18.620 2.534 1.00 0.76 H new ATOM 0 HG2 GLU A 7 4.299 17.729 4.518 1.00 0.78 H new ATOM 0 HG3 GLU A 7 5.597 16.573 4.740 1.00 0.78 H new ATOM 86 N GLN A 8 3.067 17.039 1.446 1.00 0.64 N ATOM 87 CA GLN A 8 1.618 16.913 1.450 1.00 0.64 C ATOM 88 C GLN A 8 1.185 15.761 0.552 1.00 0.58 C ATOM 89 O GLN A 8 0.246 15.030 0.866 1.00 0.60 O ATOM 90 CB GLN A 8 0.979 18.214 0.968 1.00 0.74 C ATOM 91 CG GLN A 8 -0.365 18.509 1.612 1.00 1.08 C ATOM 92 CD GLN A 8 -1.260 19.361 0.732 1.00 1.55 C ATOM 93 OE1 GLN A 8 -1.419 20.560 0.963 1.00 2.21 O ATOM 94 NE2 GLN A 8 -1.848 18.744 -0.287 1.00 2.21 N ATOM 0 H GLN A 8 3.425 17.755 0.814 1.00 0.64 H new ATOM 0 HA GLN A 8 1.288 16.709 2.469 1.00 0.64 H new ATOM 0 HB2 GLN A 8 1.659 19.040 1.173 1.00 0.74 H new ATOM 0 HB3 GLN A 8 0.851 18.167 -0.113 1.00 0.74 H new ATOM 0 HG2 GLN A 8 -0.870 17.569 1.836 1.00 1.08 H new ATOM 0 HG3 GLN A 8 -0.204 19.019 2.562 1.00 1.08 H new ATOM 0 HE21 GLN A 8 -1.688 17.749 -0.441 1.00 2.21 H new ATOM 0 HE22 GLN A 8 -2.459 19.266 -0.915 1.00 2.21 H new ATOM 103 N LYS A 9 1.882 15.610 -0.567 1.00 0.56 N ATOM 104 CA LYS A 9 1.582 14.552 -1.519 1.00 0.54 C ATOM 105 C LYS A 9 1.787 13.179 -0.890 1.00 0.47 C ATOM 106 O LYS A 9 1.110 12.217 -1.250 1.00 0.52 O ATOM 107 CB LYS A 9 2.458 14.691 -2.765 1.00 0.59 C ATOM 108 CG LYS A 9 1.836 15.549 -3.854 1.00 0.86 C ATOM 109 CD LYS A 9 2.579 15.402 -5.172 1.00 1.16 C ATOM 110 CE LYS A 9 2.474 13.986 -5.716 1.00 1.65 C ATOM 111 NZ LYS A 9 2.272 13.971 -7.191 1.00 2.42 N ATOM 0 H LYS A 9 2.661 16.210 -0.837 1.00 0.56 H new ATOM 0 HA LYS A 9 0.535 14.647 -1.808 1.00 0.54 H new ATOM 0 HB2 LYS A 9 3.417 15.122 -2.478 1.00 0.59 H new ATOM 0 HB3 LYS A 9 2.662 13.699 -3.168 1.00 0.59 H new ATOM 0 HG2 LYS A 9 0.792 15.266 -3.990 1.00 0.86 H new ATOM 0 HG3 LYS A 9 1.845 16.594 -3.545 1.00 0.86 H new ATOM 0 HD2 LYS A 9 2.172 16.104 -5.900 1.00 1.16 H new ATOM 0 HD3 LYS A 9 3.628 15.662 -5.030 1.00 1.16 H new ATOM 0 HE2 LYS A 9 3.381 13.434 -5.468 1.00 1.65 H new ATOM 0 HE3 LYS A 9 1.645 13.471 -5.231 1.00 1.65 H new ATOM 0 HZ1 LYS A 9 2.205 12.987 -7.522 1.00 2.42 H new ATOM 0 HZ2 LYS A 9 1.394 14.476 -7.426 1.00 2.42 H new ATOM 0 HZ3 LYS A 9 3.076 14.439 -7.656 1.00 2.42 H new ATOM 125 N ILE A 10 2.723 13.089 0.052 1.00 0.42 N ATOM 126 CA ILE A 10 2.996 11.822 0.715 1.00 0.38 C ATOM 127 C ILE A 10 1.932 11.497 1.750 1.00 0.38 C ATOM 128 O ILE A 10 1.436 10.376 1.799 1.00 0.38 O ATOM 129 CB ILE A 10 4.374 11.787 1.398 1.00 0.40 C ATOM 130 CG1 ILE A 10 4.554 12.965 2.359 1.00 0.44 C ATOM 131 CG2 ILE A 10 5.481 11.771 0.359 1.00 0.46 C ATOM 132 CD1 ILE A 10 5.891 12.962 3.069 1.00 0.95 C ATOM 0 H ILE A 10 3.298 13.870 0.369 1.00 0.42 H new ATOM 0 HA ILE A 10 2.987 11.073 -0.077 1.00 0.38 H new ATOM 0 HB ILE A 10 4.432 10.870 1.985 1.00 0.40 H new ATOM 0 HG12 ILE A 10 4.448 13.897 1.804 1.00 0.44 H new ATOM 0 HG13 ILE A 10 3.756 12.944 3.102 1.00 0.44 H new ATOM 0 HG21 ILE A 10 6.449 11.746 0.859 1.00 0.46 H new ATOM 0 HG22 ILE A 10 5.376 10.888 -0.271 1.00 0.46 H new ATOM 0 HG23 ILE A 10 5.414 12.667 -0.258 1.00 0.46 H new ATOM 0 HD11 ILE A 10 5.952 13.823 3.734 1.00 0.95 H new ATOM 0 HD12 ILE A 10 5.992 12.046 3.651 1.00 0.95 H new ATOM 0 HD13 ILE A 10 6.694 13.014 2.333 1.00 0.95 H new ATOM 144 N ASP A 11 1.575 12.478 2.575 1.00 0.41 N ATOM 145 CA ASP A 11 0.556 12.264 3.596 1.00 0.46 C ATOM 146 C ASP A 11 -0.674 11.612 2.975 1.00 0.46 C ATOM 147 O ASP A 11 -1.348 10.784 3.595 1.00 0.50 O ATOM 148 CB ASP A 11 0.174 13.591 4.256 1.00 0.54 C ATOM 149 CG ASP A 11 0.007 13.462 5.758 1.00 0.75 C ATOM 150 OD1 ASP A 11 -0.425 12.385 6.218 1.00 1.48 O ATOM 151 OD2 ASP A 11 0.311 14.440 6.474 1.00 1.32 O ATOM 0 H ASP A 11 1.971 13.418 2.557 1.00 0.41 H new ATOM 0 HA ASP A 11 0.961 11.601 4.361 1.00 0.46 H new ATOM 0 HB2 ASP A 11 0.941 14.335 4.041 1.00 0.54 H new ATOM 0 HB3 ASP A 11 -0.756 13.956 3.820 1.00 0.54 H new ATOM 156 N ASP A 12 -0.940 11.980 1.728 1.00 0.46 N ATOM 157 CA ASP A 12 -2.069 11.430 0.994 1.00 0.51 C ATOM 158 C ASP A 12 -1.812 9.970 0.657 1.00 0.48 C ATOM 159 O ASP A 12 -2.650 9.104 0.908 1.00 0.52 O ATOM 160 CB ASP A 12 -2.315 12.230 -0.286 1.00 0.56 C ATOM 161 CG ASP A 12 -3.079 13.515 -0.028 1.00 0.70 C ATOM 162 OD1 ASP A 12 -2.542 14.391 0.681 1.00 1.41 O ATOM 163 OD2 ASP A 12 -4.213 13.643 -0.534 1.00 1.28 O ATOM 0 H ASP A 12 -0.387 12.659 1.204 1.00 0.46 H new ATOM 0 HA ASP A 12 -2.958 11.497 1.622 1.00 0.51 H new ATOM 0 HB2 ASP A 12 -1.359 12.467 -0.753 1.00 0.56 H new ATOM 0 HB3 ASP A 12 -2.872 11.616 -0.994 1.00 0.56 H new ATOM 168 N ILE A 13 -0.637 9.703 0.099 1.00 0.43 N ATOM 169 CA ILE A 13 -0.258 8.345 -0.260 1.00 0.44 C ATOM 170 C ILE A 13 -0.269 7.444 0.968 1.00 0.44 C ATOM 171 O ILE A 13 -0.845 6.364 0.946 1.00 0.47 O ATOM 172 CB ILE A 13 1.139 8.299 -0.911 1.00 0.42 C ATOM 173 CG1 ILE A 13 1.207 9.263 -2.098 1.00 0.44 C ATOM 174 CG2 ILE A 13 1.478 6.880 -1.354 1.00 0.48 C ATOM 175 CD1 ILE A 13 2.610 9.731 -2.416 1.00 0.47 C ATOM 0 H ILE A 13 0.068 10.409 -0.114 1.00 0.43 H new ATOM 0 HA ILE A 13 -0.990 7.987 -0.984 1.00 0.44 H new ATOM 0 HB ILE A 13 1.875 8.611 -0.170 1.00 0.42 H new ATOM 0 HG12 ILE A 13 0.788 8.774 -2.977 1.00 0.44 H new ATOM 0 HG13 ILE A 13 0.582 10.131 -1.887 1.00 0.44 H new ATOM 0 HG21 ILE A 13 2.468 6.868 -1.811 1.00 0.48 H new ATOM 0 HG22 ILE A 13 1.470 6.217 -0.489 1.00 0.48 H new ATOM 0 HG23 ILE A 13 0.739 6.539 -2.079 1.00 0.48 H new ATOM 0 HD11 ILE A 13 2.583 10.411 -3.267 1.00 0.47 H new ATOM 0 HD12 ILE A 13 3.026 10.249 -1.551 1.00 0.47 H new ATOM 0 HD13 ILE A 13 3.234 8.871 -2.658 1.00 0.47 H new ATOM 187 N ASP A 14 0.368 7.904 2.042 1.00 0.43 N ATOM 188 CA ASP A 14 0.433 7.145 3.287 1.00 0.47 C ATOM 189 C ASP A 14 -0.942 6.623 3.686 1.00 0.51 C ATOM 190 O ASP A 14 -1.067 5.523 4.228 1.00 0.55 O ATOM 191 CB ASP A 14 1.005 8.016 4.408 1.00 0.49 C ATOM 192 CG ASP A 14 2.083 7.305 5.203 1.00 0.61 C ATOM 193 OD1 ASP A 14 2.187 6.066 5.085 1.00 1.29 O ATOM 194 OD2 ASP A 14 2.823 7.987 5.942 1.00 1.26 O ATOM 0 H ASP A 14 0.848 8.803 2.074 1.00 0.43 H new ATOM 0 HA ASP A 14 1.089 6.290 3.125 1.00 0.47 H new ATOM 0 HB2 ASP A 14 1.417 8.930 3.980 1.00 0.49 H new ATOM 0 HB3 ASP A 14 0.200 8.314 5.079 1.00 0.49 H new ATOM 199 N HIS A 15 -1.973 7.412 3.408 1.00 0.51 N ATOM 200 CA HIS A 15 -3.336 7.019 3.734 1.00 0.56 C ATOM 201 C HIS A 15 -3.823 5.939 2.778 1.00 0.57 C ATOM 202 O HIS A 15 -4.679 5.125 3.125 1.00 0.62 O ATOM 203 CB HIS A 15 -4.267 8.229 3.665 1.00 0.59 C ATOM 204 CG HIS A 15 -5.562 8.029 4.390 1.00 0.73 C ATOM 205 ND1 HIS A 15 -5.719 7.116 5.412 1.00 0.87 N ATOM 206 CD2 HIS A 15 -6.767 8.628 4.234 1.00 0.98 C ATOM 207 CE1 HIS A 15 -6.963 7.163 5.853 1.00 1.04 C ATOM 208 NE2 HIS A 15 -7.619 8.072 5.156 1.00 1.11 N ATOM 0 H HIS A 15 -1.891 8.324 2.959 1.00 0.51 H new ATOM 0 HA HIS A 15 -3.344 6.621 4.749 1.00 0.56 H new ATOM 0 HB2 HIS A 15 -3.755 9.095 4.084 1.00 0.59 H new ATOM 0 HB3 HIS A 15 -4.476 8.457 2.620 1.00 0.59 H new ATOM 0 HD2 HIS A 15 -7.012 9.399 3.518 1.00 0.98 H new ATOM 0 HE1 HIS A 15 -7.374 6.560 6.649 1.00 1.04 H new ATOM 0 HE2 HIS A 15 -8.600 8.321 5.282 1.00 1.11 H new ATOM 217 N GLU A 16 -3.271 5.942 1.571 1.00 0.54 N ATOM 218 CA GLU A 16 -3.648 4.968 0.559 1.00 0.57 C ATOM 219 C GLU A 16 -2.830 3.689 0.699 1.00 0.57 C ATOM 220 O GLU A 16 -3.332 2.591 0.463 1.00 0.63 O ATOM 221 CB GLU A 16 -3.463 5.558 -0.840 1.00 0.56 C ATOM 222 CG GLU A 16 -3.933 7.000 -0.961 1.00 0.57 C ATOM 223 CD GLU A 16 -5.406 7.106 -1.305 1.00 1.30 C ATOM 224 OE1 GLU A 16 -5.943 6.157 -1.914 1.00 1.99 O ATOM 225 OE2 GLU A 16 -6.022 8.137 -0.964 1.00 2.07 O ATOM 0 H GLU A 16 -2.560 6.609 1.271 1.00 0.54 H new ATOM 0 HA GLU A 16 -4.699 4.720 0.705 1.00 0.57 H new ATOM 0 HB2 GLU A 16 -2.409 5.505 -1.111 1.00 0.56 H new ATOM 0 HB3 GLU A 16 -4.008 4.946 -1.558 1.00 0.56 H new ATOM 0 HG2 GLU A 16 -3.745 7.520 -0.022 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -3.347 7.506 -1.728 1.00 0.57 H new ATOM 232 N ILE A 17 -1.572 3.841 1.093 1.00 0.54 N ATOM 233 CA ILE A 17 -0.679 2.705 1.273 1.00 0.57 C ATOM 234 C ILE A 17 -1.197 1.787 2.373 1.00 0.59 C ATOM 235 O ILE A 17 -0.998 0.572 2.334 1.00 0.62 O ATOM 236 CB ILE A 17 0.747 3.167 1.636 1.00 0.59 C ATOM 237 CG1 ILE A 17 1.230 4.235 0.655 1.00 0.57 C ATOM 238 CG2 ILE A 17 1.703 1.983 1.646 1.00 0.66 C ATOM 239 CD1 ILE A 17 2.240 5.192 1.250 1.00 0.94 C ATOM 0 H ILE A 17 -1.146 4.745 1.295 1.00 0.54 H new ATOM 0 HA ILE A 17 -0.646 2.164 0.327 1.00 0.57 H new ATOM 0 HB ILE A 17 0.724 3.602 2.635 1.00 0.59 H new ATOM 0 HG12 ILE A 17 1.673 3.746 -0.213 1.00 0.57 H new ATOM 0 HG13 ILE A 17 0.371 4.803 0.297 1.00 0.57 H new ATOM 0 HG21 ILE A 17 2.705 2.326 1.904 1.00 0.66 H new ATOM 0 HG22 ILE A 17 1.369 1.252 2.382 1.00 0.66 H new ATOM 0 HG23 ILE A 17 1.721 1.521 0.659 1.00 0.66 H new ATOM 0 HD11 ILE A 17 2.538 5.922 0.497 1.00 0.94 H new ATOM 0 HD12 ILE A 17 1.795 5.709 2.100 1.00 0.94 H new ATOM 0 HD13 ILE A 17 3.116 4.636 1.582 1.00 0.94 H new ATOM 251 N ALA A 18 -1.865 2.385 3.354 1.00 0.58 N ATOM 252 CA ALA A 18 -2.419 1.637 4.476 1.00 0.61 C ATOM 253 C ALA A 18 -3.752 0.996 4.104 1.00 0.62 C ATOM 254 O ALA A 18 -4.033 -0.139 4.489 1.00 0.66 O ATOM 255 CB ALA A 18 -2.588 2.552 5.681 1.00 0.65 C ATOM 0 H ALA A 18 -2.036 3.390 3.394 1.00 0.58 H new ATOM 0 HA ALA A 18 -1.723 0.838 4.732 1.00 0.61 H new ATOM 0 HB1 ALA A 18 -3.002 1.984 6.514 1.00 0.65 H new ATOM 0 HB2 ALA A 18 -1.619 2.960 5.967 1.00 0.65 H new ATOM 0 HB3 ALA A 18 -3.264 3.368 5.426 1.00 0.65 H new ATOM 261 N ASP A 19 -4.571 1.730 3.356 1.00 0.61 N ATOM 262 CA ASP A 19 -5.877 1.232 2.935 1.00 0.64 C ATOM 263 C ASP A 19 -5.749 -0.123 2.241 1.00 0.61 C ATOM 264 O ASP A 19 -6.556 -1.025 2.466 1.00 0.66 O ATOM 265 CB ASP A 19 -6.551 2.238 1.998 1.00 0.66 C ATOM 266 CG ASP A 19 -7.754 2.905 2.637 1.00 1.09 C ATOM 267 OD1 ASP A 19 -7.614 3.431 3.761 1.00 1.79 O ATOM 268 OD2 ASP A 19 -8.836 2.901 2.013 1.00 1.64 O ATOM 0 H ASP A 19 -4.354 2.671 3.029 1.00 0.61 H new ATOM 0 HA ASP A 19 -6.493 1.105 3.825 1.00 0.64 H new ATOM 0 HB2 ASP A 19 -5.828 3.000 1.707 1.00 0.66 H new ATOM 0 HB3 ASP A 19 -6.863 1.729 1.086 1.00 0.66 H new ATOM 273 N LEU A 20 -4.730 -0.257 1.399 1.00 0.56 N ATOM 274 CA LEU A 20 -4.498 -1.501 0.675 1.00 0.54 C ATOM 275 C LEU A 20 -4.002 -2.596 1.612 1.00 0.52 C ATOM 276 O LEU A 20 -4.549 -3.698 1.640 1.00 0.50 O ATOM 277 CB LEU A 20 -3.490 -1.283 -0.454 1.00 0.58 C ATOM 278 CG LEU A 20 -3.742 -0.052 -1.328 1.00 0.58 C ATOM 279 CD1 LEU A 20 -2.909 -0.127 -2.597 1.00 0.63 C ATOM 280 CD2 LEU A 20 -5.219 0.080 -1.670 1.00 0.62 C ATOM 0 H LEU A 20 -4.053 0.479 1.201 1.00 0.56 H new ATOM 0 HA LEU A 20 -5.448 -1.820 0.246 1.00 0.54 H new ATOM 0 HB2 LEU A 20 -2.494 -1.201 -0.019 1.00 0.58 H new ATOM 0 HB3 LEU A 20 -3.487 -2.167 -1.092 1.00 0.58 H new ATOM 0 HG LEU A 20 -3.445 0.832 -0.764 1.00 0.58 H new ATOM 0 HD11 LEU A 20 -3.098 0.755 -3.209 1.00 0.63 H new ATOM 0 HD12 LEU A 20 -1.851 -0.168 -2.336 1.00 0.63 H new ATOM 0 HD13 LEU A 20 -3.179 -1.022 -3.157 1.00 0.63 H new ATOM 0 HD21 LEU A 20 -5.371 0.962 -2.292 1.00 0.62 H new ATOM 0 HD22 LEU A 20 -5.548 -0.807 -2.212 1.00 0.62 H new ATOM 0 HD23 LEU A 20 -5.798 0.179 -0.752 1.00 0.62 H new ATOM 292 N GLN A 21 -2.959 -2.286 2.378 1.00 0.54 N ATOM 293 CA GLN A 21 -2.386 -3.248 3.315 1.00 0.55 C ATOM 294 C GLN A 21 -3.467 -3.877 4.188 1.00 0.53 C ATOM 295 O GLN A 21 -3.397 -5.058 4.526 1.00 0.53 O ATOM 296 CB GLN A 21 -1.335 -2.569 4.196 1.00 0.60 C ATOM 297 CG GLN A 21 -0.317 -3.534 4.782 1.00 0.87 C ATOM 298 CD GLN A 21 -0.478 -3.715 6.279 1.00 1.25 C ATOM 299 OE1 GLN A 21 -1.590 -3.681 6.804 1.00 1.99 O ATOM 300 NE2 GLN A 21 0.636 -3.908 6.975 1.00 1.74 N ATOM 0 H GLN A 21 -2.494 -1.378 2.368 1.00 0.54 H new ATOM 0 HA GLN A 21 -1.911 -4.039 2.735 1.00 0.55 H new ATOM 0 HB2 GLN A 21 -0.812 -1.815 3.608 1.00 0.60 H new ATOM 0 HB3 GLN A 21 -1.838 -2.046 5.010 1.00 0.60 H new ATOM 0 HG2 GLN A 21 -0.415 -4.502 4.290 1.00 0.87 H new ATOM 0 HG3 GLN A 21 0.688 -3.169 4.570 1.00 0.87 H new ATOM 0 HE21 GLN A 21 1.538 -3.929 6.499 1.00 1.74 H new ATOM 0 HE22 GLN A 21 0.590 -4.035 7.986 1.00 1.74 H new ATOM 309 N ALA A 22 -4.469 -3.081 4.544 1.00 0.55 N ATOM 310 CA ALA A 22 -5.568 -3.559 5.372 1.00 0.57 C ATOM 311 C ALA A 22 -6.451 -4.528 4.596 1.00 0.55 C ATOM 312 O ALA A 22 -6.961 -5.501 5.151 1.00 0.65 O ATOM 313 CB ALA A 22 -6.390 -2.388 5.888 1.00 0.65 C ATOM 0 H ALA A 22 -4.542 -2.101 4.271 1.00 0.55 H new ATOM 0 HA ALA A 22 -5.146 -4.092 6.224 1.00 0.57 H new ATOM 0 HB1 ALA A 22 -7.207 -2.761 6.505 1.00 0.65 H new ATOM 0 HB2 ALA A 22 -5.755 -1.733 6.484 1.00 0.65 H new ATOM 0 HB3 ALA A 22 -6.797 -1.830 5.045 1.00 0.65 H new ATOM 319 N LYS A 23 -6.625 -4.256 3.308 1.00 0.53 N ATOM 320 CA LYS A 23 -7.446 -5.102 2.450 1.00 0.55 C ATOM 321 C LYS A 23 -6.813 -6.479 2.275 1.00 0.50 C ATOM 322 O LYS A 23 -7.513 -7.487 2.176 1.00 0.57 O ATOM 323 CB LYS A 23 -7.643 -4.441 1.084 1.00 0.61 C ATOM 324 CG LYS A 23 -8.718 -3.367 1.077 1.00 0.70 C ATOM 325 CD LYS A 23 -8.453 -2.321 0.006 1.00 0.79 C ATOM 326 CE LYS A 23 -9.300 -1.077 0.222 1.00 0.96 C ATOM 327 NZ LYS A 23 -10.514 -1.075 -0.641 1.00 1.53 N ATOM 0 H LYS A 23 -6.208 -3.455 2.834 1.00 0.53 H new ATOM 0 HA LYS A 23 -8.417 -5.227 2.929 1.00 0.55 H new ATOM 0 HB2 LYS A 23 -6.699 -4.000 0.763 1.00 0.61 H new ATOM 0 HB3 LYS A 23 -7.902 -5.207 0.353 1.00 0.61 H new ATOM 0 HG2 LYS A 23 -9.692 -3.826 0.906 1.00 0.70 H new ATOM 0 HG3 LYS A 23 -8.760 -2.886 2.054 1.00 0.70 H new ATOM 0 HD2 LYS A 23 -7.397 -2.050 0.014 1.00 0.79 H new ATOM 0 HD3 LYS A 23 -8.667 -2.742 -0.976 1.00 0.79 H new ATOM 0 HE2 LYS A 23 -9.599 -1.018 1.269 1.00 0.96 H new ATOM 0 HE3 LYS A 23 -8.703 -0.190 0.011 1.00 0.96 H new ATOM 0 HZ1 LYS A 23 -11.064 -0.211 -0.464 1.00 1.53 H new ATOM 0 HZ2 LYS A 23 -10.229 -1.105 -1.641 1.00 1.53 H new ATOM 0 HZ3 LYS A 23 -11.097 -1.908 -0.422 1.00 1.53 H new ATOM 341 N ARG A 24 -5.486 -6.516 2.235 1.00 0.46 N ATOM 342 CA ARG A 24 -4.760 -7.771 2.069 1.00 0.50 C ATOM 343 C ARG A 24 -4.851 -8.626 3.330 1.00 0.52 C ATOM 344 O ARG A 24 -5.014 -9.843 3.257 1.00 0.60 O ATOM 345 CB ARG A 24 -3.294 -7.493 1.733 1.00 0.61 C ATOM 346 CG ARG A 24 -2.454 -8.752 1.583 1.00 1.15 C ATOM 347 CD ARG A 24 -1.538 -8.673 0.373 1.00 1.41 C ATOM 348 NE ARG A 24 -1.330 -9.981 -0.243 1.00 1.70 N ATOM 349 CZ ARG A 24 -0.632 -10.964 0.323 1.00 2.38 C ATOM 350 NH1 ARG A 24 -0.073 -10.790 1.514 1.00 2.89 N ATOM 351 NH2 ARG A 24 -0.491 -12.123 -0.305 1.00 2.74 N ATOM 0 H ARG A 24 -4.890 -5.692 2.315 1.00 0.46 H new ATOM 0 HA ARG A 24 -5.218 -8.321 1.247 1.00 0.50 H new ATOM 0 HB2 ARG A 24 -3.245 -6.921 0.807 1.00 0.61 H new ATOM 0 HB3 ARG A 24 -2.862 -6.870 2.516 1.00 0.61 H new ATOM 0 HG2 ARG A 24 -1.857 -8.901 2.483 1.00 1.15 H new ATOM 0 HG3 ARG A 24 -3.109 -9.618 1.488 1.00 1.15 H new ATOM 0 HD2 ARG A 24 -1.966 -7.990 -0.361 1.00 1.41 H new ATOM 0 HD3 ARG A 24 -0.576 -8.257 0.673 1.00 1.41 H new ATOM 0 HE ARG A 24 -1.743 -10.151 -1.160 1.00 1.70 H new ATOM 0 HH11 ARG A 24 -0.177 -9.900 2.001 1.00 2.89 H new ATOM 0 HH12 ARG A 24 0.460 -11.547 1.942 1.00 2.89 H new ATOM 0 HH21 ARG A 24 -0.917 -12.262 -1.221 1.00 2.74 H new ATOM 0 HH22 ARG A 24 0.044 -12.876 0.128 1.00 2.74 H new ATOM 365 N THR A 25 -4.737 -7.980 4.486 1.00 0.53 N ATOM 366 CA THR A 25 -4.797 -8.681 5.764 1.00 0.60 C ATOM 367 C THR A 25 -6.179 -9.278 6.005 1.00 0.59 C ATOM 368 O THR A 25 -6.314 -10.481 6.232 1.00 0.67 O ATOM 369 CB THR A 25 -4.441 -7.733 6.907 1.00 0.66 C ATOM 370 OG1 THR A 25 -3.697 -6.626 6.430 1.00 0.77 O ATOM 371 CG2 THR A 25 -3.633 -8.393 8.003 1.00 0.81 C ATOM 0 H THR A 25 -4.603 -6.972 4.564 1.00 0.53 H new ATOM 0 HA THR A 25 -4.072 -9.494 5.729 1.00 0.60 H new ATOM 0 HB THR A 25 -5.396 -7.414 7.324 1.00 0.66 H new ATOM 0 HG1 THR A 25 -4.289 -6.023 5.933 1.00 0.77 H new ATOM 0 HG21 THR A 25 -3.414 -7.664 8.783 1.00 0.81 H new ATOM 0 HG22 THR A 25 -4.203 -9.219 8.428 1.00 0.81 H new ATOM 0 HG23 THR A 25 -2.699 -8.772 7.588 1.00 0.81 H new ATOM 379 N ARG A 26 -7.208 -8.432 5.962 1.00 0.56 N ATOM 380 CA ARG A 26 -8.577 -8.889 6.185 1.00 0.61 C ATOM 381 C ARG A 26 -8.881 -10.113 5.329 1.00 0.58 C ATOM 382 O ARG A 26 -9.547 -11.051 5.774 1.00 0.65 O ATOM 383 CB ARG A 26 -9.578 -7.766 5.893 1.00 0.64 C ATOM 384 CG ARG A 26 -9.475 -7.191 4.489 1.00 0.59 C ATOM 385 CD ARG A 26 -10.849 -6.970 3.875 1.00 1.02 C ATOM 386 NE ARG A 26 -11.310 -5.594 4.047 1.00 1.36 N ATOM 387 CZ ARG A 26 -12.581 -5.218 3.932 1.00 1.88 C ATOM 388 NH1 ARG A 26 -13.521 -6.110 3.646 1.00 2.38 N ATOM 389 NH2 ARG A 26 -12.914 -3.945 4.104 1.00 2.54 N ATOM 0 H ARG A 26 -7.120 -7.433 5.776 1.00 0.56 H new ATOM 0 HA ARG A 26 -8.675 -9.170 7.233 1.00 0.61 H new ATOM 0 HB2 ARG A 26 -10.588 -8.146 6.045 1.00 0.64 H new ATOM 0 HB3 ARG A 26 -9.427 -6.963 6.615 1.00 0.64 H new ATOM 0 HG2 ARG A 26 -8.933 -6.246 4.521 1.00 0.59 H new ATOM 0 HG3 ARG A 26 -8.898 -7.868 3.859 1.00 0.59 H new ATOM 0 HD2 ARG A 26 -10.814 -7.211 2.812 1.00 1.02 H new ATOM 0 HD3 ARG A 26 -11.565 -7.652 4.333 1.00 1.02 H new ATOM 0 HE ARG A 26 -10.616 -4.880 4.268 1.00 1.36 H new ATOM 0 HH11 ARG A 26 -13.271 -7.090 3.513 1.00 2.38 H new ATOM 0 HH12 ARG A 26 -14.494 -5.816 3.559 1.00 2.38 H new ATOM 0 HH21 ARG A 26 -12.196 -3.255 4.324 1.00 2.54 H new ATOM 0 HH22 ARG A 26 -13.888 -3.656 4.016 1.00 2.54 H new ATOM 403 N LEU A 27 -8.364 -10.114 4.106 1.00 0.51 N ATOM 404 CA LEU A 27 -8.565 -11.237 3.207 1.00 0.51 C ATOM 405 C LEU A 27 -7.856 -12.464 3.761 1.00 0.53 C ATOM 406 O LEU A 27 -8.376 -13.578 3.698 1.00 0.59 O ATOM 407 CB LEU A 27 -8.044 -10.912 1.805 1.00 0.47 C ATOM 408 CG LEU A 27 -9.106 -10.427 0.817 1.00 0.66 C ATOM 409 CD1 LEU A 27 -9.538 -9.008 1.149 1.00 1.31 C ATOM 410 CD2 LEU A 27 -8.581 -10.507 -0.609 1.00 1.35 C ATOM 0 H LEU A 27 -7.806 -9.353 3.718 1.00 0.51 H new ATOM 0 HA LEU A 27 -9.633 -11.440 3.131 1.00 0.51 H new ATOM 0 HB2 LEU A 27 -7.271 -10.148 1.889 1.00 0.47 H new ATOM 0 HB3 LEU A 27 -7.568 -11.803 1.395 1.00 0.47 H new ATOM 0 HG LEU A 27 -9.977 -11.077 0.901 1.00 0.66 H new ATOM 0 HD11 LEU A 27 -10.294 -8.681 0.435 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -9.954 -8.981 2.156 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -8.676 -8.343 1.095 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -9.349 -10.158 -1.300 1.00 1.35 H new ATOM 0 HD22 LEU A 27 -7.694 -9.881 -0.706 1.00 1.35 H new ATOM 0 HD23 LEU A 27 -8.323 -11.540 -0.844 1.00 1.35 H new ATOM 422 N VAL A 28 -6.671 -12.245 4.328 1.00 0.54 N ATOM 423 CA VAL A 28 -5.901 -13.329 4.918 1.00 0.62 C ATOM 424 C VAL A 28 -6.660 -13.927 6.090 1.00 0.72 C ATOM 425 O VAL A 28 -6.747 -15.147 6.234 1.00 0.79 O ATOM 426 CB VAL A 28 -4.523 -12.850 5.401 1.00 0.65 C ATOM 427 CG1 VAL A 28 -3.680 -14.028 5.868 1.00 0.77 C ATOM 428 CG2 VAL A 28 -3.809 -12.071 4.304 1.00 0.62 C ATOM 0 H VAL A 28 -6.228 -11.328 4.389 1.00 0.54 H new ATOM 0 HA VAL A 28 -5.751 -14.083 4.145 1.00 0.62 H new ATOM 0 HB VAL A 28 -4.670 -12.181 6.249 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -2.708 -13.669 6.206 1.00 0.77 H new ATOM 0 HG12 VAL A 28 -4.186 -14.534 6.690 1.00 0.77 H new ATOM 0 HG13 VAL A 28 -3.541 -14.726 5.043 1.00 0.77 H new ATOM 0 HG21 VAL A 28 -2.836 -11.741 4.667 1.00 0.62 H new ATOM 0 HG22 VAL A 28 -3.674 -12.711 3.432 1.00 0.62 H new ATOM 0 HG23 VAL A 28 -4.406 -11.202 4.027 1.00 0.62 H new ATOM 438 N GLN A 29 -7.230 -13.053 6.917 1.00 0.76 N ATOM 439 CA GLN A 29 -8.008 -13.490 8.069 1.00 0.87 C ATOM 440 C GLN A 29 -9.077 -14.478 7.622 1.00 0.87 C ATOM 441 O GLN A 29 -9.480 -15.364 8.376 1.00 0.97 O ATOM 442 CB GLN A 29 -8.655 -12.291 8.763 1.00 0.95 C ATOM 443 CG GLN A 29 -7.662 -11.403 9.495 1.00 1.50 C ATOM 444 CD GLN A 29 -7.297 -11.941 10.865 1.00 1.68 C ATOM 445 OE1 GLN A 29 -8.117 -12.561 11.539 1.00 2.23 O ATOM 446 NE2 GLN A 29 -6.059 -11.703 11.283 1.00 2.15 N ATOM 0 H GLN A 29 -7.167 -12.041 6.809 1.00 0.76 H new ATOM 0 HA GLN A 29 -7.342 -13.980 8.779 1.00 0.87 H new ATOM 0 HB2 GLN A 29 -9.185 -11.694 8.020 1.00 0.95 H new ATOM 0 HB3 GLN A 29 -9.400 -12.651 9.473 1.00 0.95 H new ATOM 0 HG2 GLN A 29 -6.757 -11.304 8.895 1.00 1.50 H new ATOM 0 HG3 GLN A 29 -8.084 -10.404 9.602 1.00 1.50 H new ATOM 0 HE21 GLN A 29 -5.411 -11.184 10.690 1.00 2.15 H new ATOM 0 HE22 GLN A 29 -5.756 -12.039 12.197 1.00 2.15 H new ATOM 455 N GLN A 30 -9.522 -14.321 6.377 1.00 0.83 N ATOM 456 CA GLN A 30 -10.531 -15.202 5.808 1.00 0.93 C ATOM 457 C GLN A 30 -9.918 -16.553 5.447 1.00 0.96 C ATOM 458 O GLN A 30 -10.586 -17.585 5.512 1.00 1.09 O ATOM 459 CB GLN A 30 -11.153 -14.563 4.565 1.00 0.98 C ATOM 460 CG GLN A 30 -12.621 -14.912 4.372 1.00 1.46 C ATOM 461 CD GLN A 30 -13.369 -13.861 3.576 1.00 1.70 C ATOM 462 OE1 GLN A 30 -13.668 -14.055 2.398 1.00 2.18 O ATOM 463 NE2 GLN A 30 -13.675 -12.739 4.217 1.00 2.29 N ATOM 0 H GLN A 30 -9.197 -13.590 5.745 1.00 0.83 H new ATOM 0 HA GLN A 30 -11.311 -15.359 6.553 1.00 0.93 H new ATOM 0 HB2 GLN A 30 -11.051 -13.480 4.634 1.00 0.98 H new ATOM 0 HB3 GLN A 30 -10.594 -14.880 3.685 1.00 0.98 H new ATOM 0 HG2 GLN A 30 -12.699 -15.872 3.862 1.00 1.46 H new ATOM 0 HG3 GLN A 30 -13.094 -15.029 5.347 1.00 1.46 H new ATOM 0 HE21 GLN A 30 -13.407 -12.621 5.194 1.00 2.29 H new ATOM 0 HE22 GLN A 30 -14.178 -11.996 3.732 1.00 2.29 H new ATOM 472 N HIS A 31 -8.637 -16.542 5.073 1.00 0.87 N ATOM 473 CA HIS A 31 -7.940 -17.774 4.711 1.00 0.98 C ATOM 474 C HIS A 31 -6.528 -17.799 5.298 1.00 1.03 C ATOM 475 O HIS A 31 -5.541 -17.868 4.565 1.00 1.06 O ATOM 476 CB HIS A 31 -7.880 -17.937 3.189 1.00 0.99 C ATOM 477 CG HIS A 31 -7.039 -16.906 2.505 1.00 1.40 C ATOM 478 ND1 HIS A 31 -7.330 -15.564 2.537 1.00 1.72 N ATOM 479 CD2 HIS A 31 -5.911 -17.025 1.764 1.00 2.18 C ATOM 480 CE1 HIS A 31 -6.425 -14.902 1.844 1.00 2.19 C ATOM 481 NE2 HIS A 31 -5.547 -15.764 1.366 1.00 2.47 N ATOM 0 H HIS A 31 -8.066 -15.699 5.014 1.00 0.87 H new ATOM 0 HA HIS A 31 -8.502 -18.608 5.130 1.00 0.98 H new ATOM 0 HB2 HIS A 31 -7.488 -18.927 2.954 1.00 0.99 H new ATOM 0 HB3 HIS A 31 -8.892 -17.891 2.788 1.00 0.99 H new ATOM 0 HD1 HIS A 31 -8.123 -15.145 3.022 1.00 1.72 H new ATOM 0 HD2 HIS A 31 -5.394 -17.944 1.530 1.00 2.18 H new ATOM 0 HE1 HIS A 31 -6.405 -13.833 1.693 1.00 2.19 H new ATOM 490 N PRO A 32 -6.414 -17.744 6.636 1.00 1.13 N ATOM 491 CA PRO A 32 -5.122 -17.759 7.320 1.00 1.29 C ATOM 492 C PRO A 32 -4.562 -19.168 7.475 1.00 1.57 C ATOM 493 O PRO A 32 -3.371 -19.401 7.270 1.00 2.23 O ATOM 494 CB PRO A 32 -5.456 -17.163 8.684 1.00 1.44 C ATOM 495 CG PRO A 32 -6.867 -17.575 8.937 1.00 1.39 C ATOM 496 CD PRO A 32 -7.538 -17.659 7.587 1.00 1.19 C ATOM 0 HA PRO A 32 -4.356 -17.213 6.770 1.00 1.29 H new ATOM 0 HB2 PRO A 32 -4.787 -17.542 9.457 1.00 1.44 H new ATOM 0 HB3 PRO A 32 -5.354 -16.078 8.678 1.00 1.44 H new ATOM 0 HG2 PRO A 32 -6.904 -18.536 9.449 1.00 1.39 H new ATOM 0 HG3 PRO A 32 -7.373 -16.853 9.577 1.00 1.39 H new ATOM 0 HD2 PRO A 32 -8.187 -18.532 7.517 1.00 1.19 H new ATOM 0 HD3 PRO A 32 -8.159 -16.784 7.394 1.00 1.19 H new ATOM 504 N ARG A 33 -5.431 -20.103 7.838 1.00 1.74 N ATOM 505 CA ARG A 33 -5.030 -21.493 8.021 1.00 2.03 C ATOM 506 C ARG A 33 -5.277 -22.303 6.753 1.00 3.00 C ATOM 507 O ARG A 33 -4.974 -21.853 5.649 1.00 3.75 O ATOM 508 CB ARG A 33 -5.791 -22.114 9.194 1.00 1.88 C ATOM 509 CG ARG A 33 -5.381 -21.557 10.549 1.00 2.44 C ATOM 510 CD ARG A 33 -6.558 -20.922 11.273 1.00 3.16 C ATOM 511 NE ARG A 33 -6.254 -20.647 12.676 1.00 3.92 N ATOM 512 CZ ARG A 33 -6.947 -19.798 13.432 1.00 4.70 C ATOM 513 NH1 ARG A 33 -7.981 -19.139 12.925 1.00 4.92 N ATOM 514 NH2 ARG A 33 -6.604 -19.607 14.699 1.00 5.58 N ATOM 0 H ARG A 33 -6.420 -19.924 8.012 1.00 1.74 H new ATOM 0 HA ARG A 33 -3.962 -21.511 8.239 1.00 2.03 H new ATOM 0 HB2 ARG A 33 -6.859 -21.950 9.051 1.00 1.88 H new ATOM 0 HB3 ARG A 33 -5.631 -23.192 9.190 1.00 1.88 H new ATOM 0 HG2 ARG A 33 -4.965 -22.357 11.161 1.00 2.44 H new ATOM 0 HG3 ARG A 33 -4.593 -20.816 10.415 1.00 2.44 H new ATOM 0 HD2 ARG A 33 -6.833 -19.993 10.773 1.00 3.16 H new ATOM 0 HD3 ARG A 33 -7.421 -21.585 11.212 1.00 3.16 H new ATOM 0 HE ARG A 33 -5.465 -21.134 13.101 1.00 3.92 H new ATOM 0 HH11 ARG A 33 -8.249 -19.282 11.951 1.00 4.92 H new ATOM 0 HH12 ARG A 33 -8.508 -18.490 13.509 1.00 4.92 H new ATOM 0 HH21 ARG A 33 -5.810 -20.110 15.094 1.00 5.58 H new ATOM 0 HH22 ARG A 33 -7.135 -18.957 15.279 1.00 5.58 H new TER 528 ARG A 33 ATOM 529 N CYS B 1 -17.293 -22.467 -2.876 1.00 5.15 N ATOM 530 CA CYS B 1 -16.062 -22.359 -3.651 1.00 4.44 C ATOM 531 C CYS B 1 -15.005 -21.569 -2.886 1.00 3.68 C ATOM 532 O CYS B 1 -14.966 -20.340 -2.950 1.00 4.02 O ATOM 533 CB CYS B 1 -16.339 -21.689 -4.998 1.00 4.47 C ATOM 534 SG CYS B 1 -15.093 -22.031 -6.263 1.00 5.51 S ATOM 0 H1 CYS B 1 -17.997 -23.008 -3.417 1.00 5.15 H new ATOM 0 H2 CYS B 1 -17.096 -22.954 -1.978 1.00 5.15 H new ATOM 0 H3 CYS B 1 -17.664 -21.516 -2.680 1.00 5.15 H new ATOM 0 HA CYS B 1 -15.683 -23.366 -3.825 1.00 4.44 H new ATOM 0 HB2 CYS B 1 -17.312 -22.019 -5.363 1.00 4.47 H new ATOM 0 HB3 CYS B 1 -16.404 -20.611 -4.849 1.00 4.47 H new ATOM 0 HG CYS B 1 -15.416 -21.423 -7.366 1.00 5.51 H new ATOM 540 N GLY B 2 -14.147 -22.283 -2.164 1.00 3.11 N ATOM 541 CA GLY B 2 -13.101 -21.632 -1.396 1.00 2.73 C ATOM 542 C GLY B 2 -11.721 -21.880 -1.973 1.00 2.20 C ATOM 543 O GLY B 2 -11.395 -21.389 -3.053 1.00 2.81 O ATOM 0 H GLY B 2 -14.157 -23.301 -2.097 1.00 3.11 H new ATOM 0 HA2 GLY B 2 -13.291 -20.559 -1.364 1.00 2.73 H new ATOM 0 HA3 GLY B 2 -13.132 -21.992 -0.367 1.00 2.73 H new ATOM 547 N GLY B 3 -10.908 -22.643 -1.249 1.00 1.66 N ATOM 548 CA GLY B 3 -9.565 -22.942 -1.710 1.00 1.45 C ATOM 549 C GLY B 3 -8.617 -21.772 -1.533 1.00 1.30 C ATOM 550 O GLY B 3 -8.464 -21.250 -0.429 1.00 1.48 O ATOM 0 H GLY B 3 -11.156 -23.059 -0.351 1.00 1.66 H new ATOM 0 HA2 GLY B 3 -9.180 -23.803 -1.164 1.00 1.45 H new ATOM 0 HA3 GLY B 3 -9.599 -23.222 -2.763 1.00 1.45 H new ATOM 554 N ASP B 4 -7.980 -21.361 -2.625 1.00 1.06 N ATOM 555 CA ASP B 4 -7.039 -20.246 -2.587 1.00 1.10 C ATOM 556 C ASP B 4 -7.553 -19.058 -3.395 1.00 1.01 C ATOM 557 O ASP B 4 -6.799 -18.137 -3.706 1.00 1.22 O ATOM 558 CB ASP B 4 -5.684 -20.680 -3.132 1.00 1.23 C ATOM 559 CG ASP B 4 -5.074 -21.816 -2.335 1.00 1.84 C ATOM 560 OD1 ASP B 4 -5.757 -22.845 -2.149 1.00 2.34 O ATOM 561 OD2 ASP B 4 -3.913 -21.676 -1.896 1.00 2.59 O ATOM 0 H ASP B 4 -8.098 -21.783 -3.546 1.00 1.06 H new ATOM 0 HA ASP B 4 -6.934 -19.938 -1.547 1.00 1.10 H new ATOM 0 HB2 ASP B 4 -5.796 -20.989 -4.171 1.00 1.23 H new ATOM 0 HB3 ASP B 4 -5.003 -19.829 -3.124 1.00 1.23 H new ATOM 566 N ASN B 5 -8.838 -19.081 -3.728 1.00 0.92 N ATOM 567 CA ASN B 5 -9.449 -17.999 -4.493 1.00 1.02 C ATOM 568 C ASN B 5 -9.170 -16.662 -3.820 1.00 0.99 C ATOM 569 O ASN B 5 -9.079 -15.625 -4.476 1.00 1.39 O ATOM 570 CB ASN B 5 -10.958 -18.221 -4.622 1.00 1.19 C ATOM 571 CG ASN B 5 -11.445 -18.060 -6.049 1.00 1.61 C ATOM 572 OD1 ASN B 5 -12.278 -18.833 -6.523 1.00 2.22 O ATOM 573 ND2 ASN B 5 -10.925 -17.054 -6.743 1.00 1.86 N ATOM 0 H ASN B 5 -9.477 -19.836 -3.481 1.00 0.92 H new ATOM 0 HA ASN B 5 -9.014 -17.989 -5.492 1.00 1.02 H new ATOM 0 HB2 ASN B 5 -11.207 -19.221 -4.266 1.00 1.19 H new ATOM 0 HB3 ASN B 5 -11.483 -17.514 -3.980 1.00 1.19 H new ATOM 0 HD21 ASN B 5 -11.214 -16.898 -7.709 1.00 1.86 H new ATOM 0 HD22 ASN B 5 -10.237 -16.438 -6.310 1.00 1.86 H new ATOM 580 N ILE B 6 -9.021 -16.708 -2.502 1.00 0.68 N ATOM 581 CA ILE B 6 -8.734 -15.519 -1.719 1.00 0.63 C ATOM 582 C ILE B 6 -7.250 -15.187 -1.792 1.00 0.56 C ATOM 583 O ILE B 6 -6.867 -14.033 -1.986 1.00 0.53 O ATOM 584 CB ILE B 6 -9.133 -15.720 -0.247 1.00 0.67 C ATOM 585 CG1 ILE B 6 -10.541 -16.315 -0.147 1.00 0.87 C ATOM 586 CG2 ILE B 6 -9.052 -14.404 0.505 1.00 0.85 C ATOM 587 CD1 ILE B 6 -10.595 -17.614 0.626 1.00 1.57 C ATOM 0 H ILE B 6 -9.095 -17.564 -1.952 1.00 0.68 H new ATOM 0 HA ILE B 6 -9.316 -14.697 -2.135 1.00 0.63 H new ATOM 0 HB ILE B 6 -8.435 -16.422 0.209 1.00 0.67 H new ATOM 0 HG12 ILE B 6 -11.200 -15.590 0.331 1.00 0.87 H new ATOM 0 HG13 ILE B 6 -10.928 -16.483 -1.152 1.00 0.87 H new ATOM 0 HG21 ILE B 6 -9.337 -14.561 1.545 1.00 0.85 H new ATOM 0 HG22 ILE B 6 -8.032 -14.023 0.462 1.00 0.85 H new ATOM 0 HG23 ILE B 6 -9.729 -13.682 0.049 1.00 0.85 H new ATOM 0 HD11 ILE B 6 -11.622 -17.977 0.656 1.00 1.57 H new ATOM 0 HD12 ILE B 6 -9.963 -18.355 0.137 1.00 1.57 H new ATOM 0 HD13 ILE B 6 -10.239 -17.447 1.643 1.00 1.57 H new ATOM 599 N GLU B 7 -6.423 -16.216 -1.642 1.00 0.60 N ATOM 600 CA GLU B 7 -4.973 -16.056 -1.697 1.00 0.59 C ATOM 601 C GLU B 7 -4.553 -15.402 -3.009 1.00 0.57 C ATOM 602 O GLU B 7 -3.530 -14.721 -3.076 1.00 0.53 O ATOM 603 CB GLU B 7 -4.283 -17.414 -1.545 1.00 0.75 C ATOM 604 CG GLU B 7 -3.011 -17.360 -0.717 1.00 0.78 C ATOM 605 CD GLU B 7 -1.994 -18.400 -1.143 1.00 1.29 C ATOM 606 OE1 GLU B 7 -1.588 -18.386 -2.324 1.00 1.94 O ATOM 607 OE2 GLU B 7 -1.602 -19.229 -0.295 1.00 1.93 O ATOM 0 H GLU B 7 -6.733 -17.174 -1.481 1.00 0.60 H new ATOM 0 HA GLU B 7 -4.669 -15.410 -0.874 1.00 0.59 H new ATOM 0 HB2 GLU B 7 -4.978 -18.116 -1.083 1.00 0.75 H new ATOM 0 HB3 GLU B 7 -4.046 -17.805 -2.535 1.00 0.75 H new ATOM 0 HG2 GLU B 7 -2.568 -16.368 -0.802 1.00 0.78 H new ATOM 0 HG3 GLU B 7 -3.259 -17.509 0.334 1.00 0.78 H new ATOM 614 N GLN B 8 -5.354 -15.607 -4.048 1.00 0.64 N ATOM 615 CA GLN B 8 -5.072 -15.029 -5.353 1.00 0.69 C ATOM 616 C GLN B 8 -5.502 -13.568 -5.383 1.00 0.63 C ATOM 617 O GLN B 8 -4.786 -12.703 -5.893 1.00 0.67 O ATOM 618 CB GLN B 8 -5.796 -15.813 -6.448 1.00 0.82 C ATOM 619 CG GLN B 8 -5.463 -15.345 -7.855 1.00 1.18 C ATOM 620 CD GLN B 8 -6.686 -15.269 -8.749 1.00 1.54 C ATOM 621 OE1 GLN B 8 -7.620 -16.059 -8.610 1.00 2.16 O ATOM 622 NE2 GLN B 8 -6.684 -14.318 -9.675 1.00 2.22 N ATOM 0 H GLN B 8 -6.204 -16.170 -4.010 1.00 0.64 H new ATOM 0 HA GLN B 8 -3.999 -15.084 -5.535 1.00 0.69 H new ATOM 0 HB2 GLN B 8 -5.541 -16.869 -6.356 1.00 0.82 H new ATOM 0 HB3 GLN B 8 -6.872 -15.730 -6.292 1.00 0.82 H new ATOM 0 HG2 GLN B 8 -4.992 -14.363 -7.805 1.00 1.18 H new ATOM 0 HG3 GLN B 8 -4.736 -16.025 -8.298 1.00 1.18 H new ATOM 0 HE21 GLN B 8 -5.888 -13.685 -9.754 1.00 2.22 H new ATOM 0 HE22 GLN B 8 -7.478 -14.220 -10.307 1.00 2.22 H new ATOM 631 N LYS B 9 -6.675 -13.302 -4.821 1.00 0.57 N ATOM 632 CA LYS B 9 -7.210 -11.949 -4.769 1.00 0.58 C ATOM 633 C LYS B 9 -6.274 -11.030 -3.994 1.00 0.50 C ATOM 634 O LYS B 9 -6.112 -9.860 -4.340 1.00 0.59 O ATOM 635 CB LYS B 9 -8.597 -11.948 -4.124 1.00 0.64 C ATOM 636 CG LYS B 9 -9.469 -10.782 -4.559 1.00 1.01 C ATOM 637 CD LYS B 9 -10.924 -10.992 -4.167 1.00 1.26 C ATOM 638 CE LYS B 9 -11.369 -9.991 -3.113 1.00 1.86 C ATOM 639 NZ LYS B 9 -12.302 -10.601 -2.125 1.00 2.37 N ATOM 0 H LYS B 9 -7.274 -14.008 -4.394 1.00 0.57 H new ATOM 0 HA LYS B 9 -7.296 -11.577 -5.790 1.00 0.58 H new ATOM 0 HB2 LYS B 9 -9.104 -12.881 -4.370 1.00 0.64 H new ATOM 0 HB3 LYS B 9 -8.485 -11.922 -3.040 1.00 0.64 H new ATOM 0 HG2 LYS B 9 -9.099 -9.862 -4.106 1.00 1.01 H new ATOM 0 HG3 LYS B 9 -9.397 -10.657 -5.639 1.00 1.01 H new ATOM 0 HD2 LYS B 9 -11.557 -10.897 -5.050 1.00 1.26 H new ATOM 0 HD3 LYS B 9 -11.057 -12.005 -3.787 1.00 1.26 H new ATOM 0 HE2 LYS B 9 -10.495 -9.599 -2.593 1.00 1.86 H new ATOM 0 HE3 LYS B 9 -11.857 -9.146 -3.598 1.00 1.86 H new ATOM 0 HZ1 LYS B 9 -12.582 -9.886 -1.424 1.00 2.37 H new ATOM 0 HZ2 LYS B 9 -13.148 -10.952 -2.617 1.00 2.37 H new ATOM 0 HZ3 LYS B 9 -11.829 -11.392 -1.643 1.00 2.37 H new ATOM 653 N ILE B 10 -5.656 -11.566 -2.945 1.00 0.41 N ATOM 654 CA ILE B 10 -4.736 -10.780 -2.135 1.00 0.38 C ATOM 655 C ILE B 10 -3.456 -10.481 -2.898 1.00 0.36 C ATOM 656 O ILE B 10 -2.958 -9.358 -2.865 1.00 0.37 O ATOM 657 CB ILE B 10 -4.371 -11.473 -0.811 1.00 0.42 C ATOM 658 CG1 ILE B 10 -3.952 -12.927 -1.042 1.00 0.41 C ATOM 659 CG2 ILE B 10 -5.532 -11.400 0.166 1.00 0.54 C ATOM 660 CD1 ILE B 10 -3.359 -13.583 0.184 1.00 1.11 C ATOM 0 H ILE B 10 -5.775 -12.532 -2.640 1.00 0.41 H new ATOM 0 HA ILE B 10 -5.259 -9.852 -1.904 1.00 0.38 H new ATOM 0 HB ILE B 10 -3.520 -10.945 -0.380 1.00 0.42 H new ATOM 0 HG12 ILE B 10 -4.820 -13.500 -1.368 1.00 0.41 H new ATOM 0 HG13 ILE B 10 -3.224 -12.963 -1.852 1.00 0.41 H new ATOM 0 HG21 ILE B 10 -5.256 -11.895 1.097 1.00 0.54 H new ATOM 0 HG22 ILE B 10 -5.773 -10.356 0.368 1.00 0.54 H new ATOM 0 HG23 ILE B 10 -6.402 -11.896 -0.265 1.00 0.54 H new ATOM 0 HD11 ILE B 10 -3.084 -14.611 -0.051 1.00 1.11 H new ATOM 0 HD12 ILE B 10 -2.472 -13.033 0.498 1.00 1.11 H new ATOM 0 HD13 ILE B 10 -4.093 -13.578 0.990 1.00 1.11 H new ATOM 672 N ASP B 11 -2.928 -11.484 -3.595 1.00 0.39 N ATOM 673 CA ASP B 11 -1.706 -11.306 -4.373 1.00 0.47 C ATOM 674 C ASP B 11 -1.823 -10.056 -5.235 1.00 0.48 C ATOM 675 O ASP B 11 -0.849 -9.332 -5.450 1.00 0.52 O ATOM 676 CB ASP B 11 -1.449 -12.531 -5.253 1.00 0.58 C ATOM 677 CG ASP B 11 -0.650 -13.601 -4.534 1.00 0.84 C ATOM 678 OD1 ASP B 11 -0.879 -13.801 -3.324 1.00 1.51 O ATOM 679 OD2 ASP B 11 0.205 -14.240 -5.184 1.00 1.45 O ATOM 0 H ASP B 11 -3.325 -12.423 -3.637 1.00 0.39 H new ATOM 0 HA ASP B 11 -0.866 -11.191 -3.688 1.00 0.47 H new ATOM 0 HB2 ASP B 11 -2.402 -12.949 -5.577 1.00 0.58 H new ATOM 0 HB3 ASP B 11 -0.914 -12.224 -6.152 1.00 0.58 H new ATOM 684 N ASP B 12 -3.040 -9.799 -5.698 1.00 0.48 N ATOM 685 CA ASP B 12 -3.308 -8.625 -6.513 1.00 0.53 C ATOM 686 C ASP B 12 -3.141 -7.371 -5.669 1.00 0.49 C ATOM 687 O ASP B 12 -2.478 -6.415 -6.073 1.00 0.54 O ATOM 688 CB ASP B 12 -4.723 -8.685 -7.094 1.00 0.60 C ATOM 689 CG ASP B 12 -4.850 -9.716 -8.200 1.00 0.75 C ATOM 690 OD1 ASP B 12 -4.358 -10.849 -8.015 1.00 1.44 O ATOM 691 OD2 ASP B 12 -5.440 -9.389 -9.250 1.00 1.32 O ATOM 0 H ASP B 12 -3.854 -10.388 -5.522 1.00 0.48 H new ATOM 0 HA ASP B 12 -2.599 -8.600 -7.341 1.00 0.53 H new ATOM 0 HB2 ASP B 12 -5.430 -8.920 -6.298 1.00 0.60 H new ATOM 0 HB3 ASP B 12 -4.995 -7.704 -7.482 1.00 0.60 H new ATOM 696 N ILE B 13 -3.733 -7.395 -4.480 1.00 0.43 N ATOM 697 CA ILE B 13 -3.639 -6.274 -3.561 1.00 0.44 C ATOM 698 C ILE B 13 -2.186 -6.022 -3.183 1.00 0.42 C ATOM 699 O ILE B 13 -1.716 -4.889 -3.223 1.00 0.45 O ATOM 700 CB ILE B 13 -4.460 -6.522 -2.279 1.00 0.43 C ATOM 701 CG1 ILE B 13 -5.896 -6.916 -2.633 1.00 0.46 C ATOM 702 CG2 ILE B 13 -4.448 -5.284 -1.391 1.00 0.55 C ATOM 703 CD1 ILE B 13 -6.772 -7.161 -1.424 1.00 0.50 C ATOM 0 H ILE B 13 -4.283 -8.181 -4.133 1.00 0.43 H new ATOM 0 HA ILE B 13 -4.046 -5.400 -4.070 1.00 0.44 H new ATOM 0 HB ILE B 13 -4.003 -7.344 -1.728 1.00 0.43 H new ATOM 0 HG12 ILE B 13 -6.341 -6.128 -3.240 1.00 0.46 H new ATOM 0 HG13 ILE B 13 -5.876 -7.817 -3.246 1.00 0.46 H new ATOM 0 HG21 ILE B 13 -5.032 -5.476 -0.491 1.00 0.55 H new ATOM 0 HG22 ILE B 13 -3.421 -5.045 -1.113 1.00 0.55 H new ATOM 0 HG23 ILE B 13 -4.882 -4.444 -1.933 1.00 0.55 H new ATOM 0 HD11 ILE B 13 -7.775 -7.436 -1.751 1.00 0.50 H new ATOM 0 HD12 ILE B 13 -6.350 -7.970 -0.827 1.00 0.50 H new ATOM 0 HD13 ILE B 13 -6.823 -6.254 -0.822 1.00 0.50 H new ATOM 715 N ASP B 14 -1.474 -7.089 -2.828 1.00 0.40 N ATOM 716 CA ASP B 14 -0.066 -6.987 -2.451 1.00 0.43 C ATOM 717 C ASP B 14 0.716 -6.172 -3.476 1.00 0.46 C ATOM 718 O ASP B 14 1.669 -5.473 -3.133 1.00 0.48 O ATOM 719 CB ASP B 14 0.550 -8.380 -2.317 1.00 0.44 C ATOM 720 CG ASP B 14 1.587 -8.449 -1.213 1.00 0.51 C ATOM 721 OD1 ASP B 14 2.672 -7.855 -1.381 1.00 1.32 O ATOM 722 OD2 ASP B 14 1.314 -9.099 -0.182 1.00 1.13 O ATOM 0 H ASP B 14 -1.850 -8.037 -2.793 1.00 0.40 H new ATOM 0 HA ASP B 14 -0.011 -6.477 -1.489 1.00 0.43 H new ATOM 0 HB2 ASP B 14 -0.239 -9.105 -2.117 1.00 0.44 H new ATOM 0 HB3 ASP B 14 1.011 -8.663 -3.263 1.00 0.44 H new ATOM 727 N HIS B 15 0.301 -6.259 -4.736 1.00 0.47 N ATOM 728 CA HIS B 15 0.958 -5.523 -5.805 1.00 0.52 C ATOM 729 C HIS B 15 0.564 -4.053 -5.757 1.00 0.53 C ATOM 730 O HIS B 15 1.327 -3.178 -6.167 1.00 0.56 O ATOM 731 CB HIS B 15 0.589 -6.117 -7.164 1.00 0.56 C ATOM 732 CG HIS B 15 1.480 -5.664 -8.279 1.00 0.76 C ATOM 733 ND1 HIS B 15 2.746 -5.157 -8.071 1.00 0.92 N ATOM 734 CD2 HIS B 15 1.285 -5.646 -9.619 1.00 1.01 C ATOM 735 CE1 HIS B 15 3.290 -4.845 -9.235 1.00 1.12 C ATOM 736 NE2 HIS B 15 2.424 -5.132 -10.188 1.00 1.19 N ATOM 0 H HIS B 15 -0.487 -6.832 -5.039 1.00 0.47 H new ATOM 0 HA HIS B 15 2.036 -5.603 -5.666 1.00 0.52 H new ATOM 0 HB2 HIS B 15 0.628 -7.204 -7.098 1.00 0.56 H new ATOM 0 HB3 HIS B 15 -0.440 -5.848 -7.401 1.00 0.56 H new ATOM 0 HD2 HIS B 15 0.399 -5.975 -10.142 1.00 1.01 H new ATOM 0 HE1 HIS B 15 4.275 -4.427 -9.381 1.00 1.12 H new ATOM 0 HE2 HIS B 15 2.576 -4.994 -11.187 1.00 1.19 H new ATOM 745 N GLU B 16 -0.636 -3.790 -5.251 1.00 0.52 N ATOM 746 CA GLU B 16 -1.137 -2.429 -5.147 1.00 0.56 C ATOM 747 C GLU B 16 -0.635 -1.764 -3.871 1.00 0.57 C ATOM 748 O GLU B 16 -0.376 -0.562 -3.848 1.00 0.64 O ATOM 749 CB GLU B 16 -2.667 -2.424 -5.172 1.00 0.58 C ATOM 750 CG GLU B 16 -3.261 -3.354 -6.218 1.00 0.59 C ATOM 751 CD GLU B 16 -3.323 -2.720 -7.594 1.00 1.29 C ATOM 752 OE1 GLU B 16 -2.252 -2.406 -8.152 1.00 1.99 O ATOM 753 OE2 GLU B 16 -4.445 -2.540 -8.113 1.00 2.03 O ATOM 0 H GLU B 16 -1.278 -4.504 -4.907 1.00 0.52 H new ATOM 0 HA GLU B 16 -0.766 -1.863 -6.001 1.00 0.56 H new ATOM 0 HB2 GLU B 16 -3.039 -2.712 -4.189 1.00 0.58 H new ATOM 0 HB3 GLU B 16 -3.016 -1.409 -5.360 1.00 0.58 H new ATOM 0 HG2 GLU B 16 -2.665 -4.266 -6.269 1.00 0.59 H new ATOM 0 HG3 GLU B 16 -4.265 -3.646 -5.911 1.00 0.59 H new ATOM 760 N ILE B 17 -0.496 -2.557 -2.816 1.00 0.53 N ATOM 761 CA ILE B 17 -0.024 -2.056 -1.534 1.00 0.57 C ATOM 762 C ILE B 17 1.413 -1.557 -1.646 1.00 0.57 C ATOM 763 O ILE B 17 1.808 -0.603 -0.975 1.00 0.61 O ATOM 764 CB ILE B 17 -0.091 -3.146 -0.446 1.00 0.58 C ATOM 765 CG1 ILE B 17 -1.473 -3.803 -0.435 1.00 0.58 C ATOM 766 CG2 ILE B 17 0.230 -2.557 0.919 1.00 0.66 C ATOM 767 CD1 ILE B 17 -1.461 -5.231 0.065 1.00 1.06 C ATOM 0 H ILE B 17 -0.705 -3.555 -2.825 1.00 0.53 H new ATOM 0 HA ILE B 17 -0.678 -1.231 -1.251 1.00 0.57 H new ATOM 0 HB ILE B 17 0.653 -3.909 -0.674 1.00 0.58 H new ATOM 0 HG12 ILE B 17 -2.142 -3.213 0.192 1.00 0.58 H new ATOM 0 HG13 ILE B 17 -1.883 -3.784 -1.445 1.00 0.58 H new ATOM 0 HG21 ILE B 17 0.178 -3.341 1.675 1.00 0.66 H new ATOM 0 HG22 ILE B 17 1.234 -2.132 0.905 1.00 0.66 H new ATOM 0 HG23 ILE B 17 -0.491 -1.775 1.157 1.00 0.66 H new ATOM 0 HD11 ILE B 17 -2.474 -5.632 0.045 1.00 1.06 H new ATOM 0 HD12 ILE B 17 -0.819 -5.835 -0.576 1.00 1.06 H new ATOM 0 HD13 ILE B 17 -1.081 -5.256 1.086 1.00 1.06 H new ATOM 779 N ALA B 18 2.190 -2.216 -2.500 1.00 0.53 N ATOM 780 CA ALA B 18 3.585 -1.851 -2.709 1.00 0.55 C ATOM 781 C ALA B 18 3.708 -0.639 -3.627 1.00 0.55 C ATOM 782 O ALA B 18 4.576 0.213 -3.430 1.00 0.57 O ATOM 783 CB ALA B 18 4.355 -3.031 -3.284 1.00 0.58 C ATOM 0 H ALA B 18 1.875 -3.008 -3.060 1.00 0.53 H new ATOM 0 HA ALA B 18 4.013 -1.584 -1.743 1.00 0.55 H new ATOM 0 HB1 ALA B 18 5.396 -2.747 -3.436 1.00 0.58 H new ATOM 0 HB2 ALA B 18 4.306 -3.870 -2.590 1.00 0.58 H new ATOM 0 HB3 ALA B 18 3.915 -3.322 -4.238 1.00 0.58 H new ATOM 789 N ASP B 19 2.836 -0.564 -4.628 1.00 0.55 N ATOM 790 CA ASP B 19 2.852 0.547 -5.574 1.00 0.57 C ATOM 791 C ASP B 19 2.774 1.884 -4.843 1.00 0.55 C ATOM 792 O ASP B 19 3.528 2.812 -5.139 1.00 0.57 O ATOM 793 CB ASP B 19 1.688 0.423 -6.558 1.00 0.61 C ATOM 794 CG ASP B 19 2.062 0.876 -7.956 1.00 0.93 C ATOM 795 OD1 ASP B 19 2.349 2.079 -8.134 1.00 1.58 O ATOM 796 OD2 ASP B 19 2.070 0.028 -8.873 1.00 1.57 O ATOM 0 H ASP B 19 2.110 -1.258 -4.805 1.00 0.55 H new ATOM 0 HA ASP B 19 3.791 0.508 -6.126 1.00 0.57 H new ATOM 0 HB2 ASP B 19 1.354 -0.614 -6.592 1.00 0.61 H new ATOM 0 HB3 ASP B 19 0.848 1.017 -6.199 1.00 0.61 H new ATOM 801 N LEU B 20 1.860 1.972 -3.883 1.00 0.52 N ATOM 802 CA LEU B 20 1.685 3.193 -3.106 1.00 0.52 C ATOM 803 C LEU B 20 2.913 3.468 -2.246 1.00 0.50 C ATOM 804 O LEU B 20 3.443 4.580 -2.241 1.00 0.50 O ATOM 805 CB LEU B 20 0.442 3.091 -2.222 1.00 0.57 C ATOM 806 CG LEU B 20 -0.788 2.478 -2.896 1.00 0.58 C ATOM 807 CD1 LEU B 20 -2.011 2.642 -2.011 1.00 0.63 C ATOM 808 CD2 LEU B 20 -1.028 3.110 -4.260 1.00 0.62 C ATOM 0 H LEU B 20 1.229 1.213 -3.625 1.00 0.52 H new ATOM 0 HA LEU B 20 1.556 4.021 -3.803 1.00 0.52 H new ATOM 0 HB2 LEU B 20 0.689 2.496 -1.343 1.00 0.57 H new ATOM 0 HB3 LEU B 20 0.184 4.089 -1.869 1.00 0.57 H new ATOM 0 HG LEU B 20 -0.604 1.414 -3.043 1.00 0.58 H new ATOM 0 HD11 LEU B 20 -2.878 2.201 -2.503 1.00 0.63 H new ATOM 0 HD12 LEU B 20 -1.841 2.140 -1.058 1.00 0.63 H new ATOM 0 HD13 LEU B 20 -2.193 3.702 -1.835 1.00 0.63 H new ATOM 0 HD21 LEU B 20 -1.907 2.659 -4.720 1.00 0.62 H new ATOM 0 HD22 LEU B 20 -1.190 4.181 -4.141 1.00 0.62 H new ATOM 0 HD23 LEU B 20 -0.159 2.943 -4.896 1.00 0.62 H new ATOM 820 N GLN B 21 3.358 2.450 -1.517 1.00 0.51 N ATOM 821 CA GLN B 21 4.524 2.581 -0.648 1.00 0.52 C ATOM 822 C GLN B 21 5.705 3.186 -1.401 1.00 0.51 C ATOM 823 O GLN B 21 6.416 4.042 -0.877 1.00 0.51 O ATOM 824 CB GLN B 21 4.915 1.216 -0.076 1.00 0.56 C ATOM 825 CG GLN B 21 5.400 1.276 1.363 1.00 0.88 C ATOM 826 CD GLN B 21 5.391 -0.081 2.039 1.00 1.31 C ATOM 827 OE1 GLN B 21 6.444 -0.648 2.334 1.00 1.98 O ATOM 828 NE2 GLN B 21 4.198 -0.612 2.285 1.00 1.93 N ATOM 0 H GLN B 21 2.929 1.524 -1.510 1.00 0.51 H new ATOM 0 HA GLN B 21 4.260 3.251 0.171 1.00 0.52 H new ATOM 0 HB2 GLN B 21 4.056 0.548 -0.134 1.00 0.56 H new ATOM 0 HB3 GLN B 21 5.699 0.782 -0.697 1.00 0.56 H new ATOM 0 HG2 GLN B 21 6.411 1.682 1.385 1.00 0.88 H new ATOM 0 HG3 GLN B 21 4.769 1.963 1.927 1.00 0.88 H new ATOM 0 HE21 GLN B 21 3.351 -0.107 2.024 1.00 1.93 H new ATOM 0 HE22 GLN B 21 4.129 -1.525 2.735 1.00 1.93 H new ATOM 837 N ALA B 22 5.903 2.736 -2.635 1.00 0.52 N ATOM 838 CA ALA B 22 6.994 3.233 -3.465 1.00 0.55 C ATOM 839 C ALA B 22 6.887 4.740 -3.666 1.00 0.54 C ATOM 840 O ALA B 22 7.880 5.461 -3.568 1.00 0.62 O ATOM 841 CB ALA B 22 7.003 2.519 -4.808 1.00 0.60 C ATOM 0 H ALA B 22 5.322 2.027 -3.083 1.00 0.52 H new ATOM 0 HA ALA B 22 7.932 3.027 -2.950 1.00 0.55 H new ATOM 0 HB1 ALA B 22 7.823 2.900 -5.417 1.00 0.60 H new ATOM 0 HB2 ALA B 22 7.135 1.449 -4.650 1.00 0.60 H new ATOM 0 HB3 ALA B 22 6.057 2.696 -5.320 1.00 0.60 H new ATOM 847 N LYS B 23 5.677 5.207 -3.949 1.00 0.54 N ATOM 848 CA LYS B 23 5.438 6.630 -4.165 1.00 0.55 C ATOM 849 C LYS B 23 5.823 7.442 -2.933 1.00 0.49 C ATOM 850 O LYS B 23 6.447 8.498 -3.041 1.00 0.55 O ATOM 851 CB LYS B 23 3.969 6.874 -4.514 1.00 0.59 C ATOM 852 CG LYS B 23 3.615 6.511 -5.947 1.00 0.69 C ATOM 853 CD LYS B 23 2.201 5.965 -6.051 1.00 0.76 C ATOM 854 CE LYS B 23 1.904 5.448 -7.450 1.00 0.96 C ATOM 855 NZ LYS B 23 1.307 6.502 -8.317 1.00 1.43 N ATOM 0 H LYS B 23 4.846 4.622 -4.034 1.00 0.54 H new ATOM 0 HA LYS B 23 6.061 6.954 -4.998 1.00 0.55 H new ATOM 0 HB2 LYS B 23 3.342 6.295 -3.836 1.00 0.59 H new ATOM 0 HB3 LYS B 23 3.734 7.925 -4.346 1.00 0.59 H new ATOM 0 HG2 LYS B 23 3.713 7.392 -6.581 1.00 0.69 H new ATOM 0 HG3 LYS B 23 4.321 5.769 -6.320 1.00 0.69 H new ATOM 0 HD2 LYS B 23 2.067 5.160 -5.329 1.00 0.76 H new ATOM 0 HD3 LYS B 23 1.488 6.748 -5.792 1.00 0.76 H new ATOM 0 HE2 LYS B 23 2.825 5.082 -7.905 1.00 0.96 H new ATOM 0 HE3 LYS B 23 1.221 4.601 -7.386 1.00 0.96 H new ATOM 0 HZ1 LYS B 23 1.120 6.109 -9.262 1.00 1.43 H new ATOM 0 HZ2 LYS B 23 0.415 6.833 -7.897 1.00 1.43 H new ATOM 0 HZ3 LYS B 23 1.969 7.300 -8.399 1.00 1.43 H new ATOM 869 N ARG B 24 5.447 6.944 -1.763 1.00 0.45 N ATOM 870 CA ARG B 24 5.752 7.624 -0.510 1.00 0.47 C ATOM 871 C ARG B 24 7.252 7.602 -0.230 1.00 0.52 C ATOM 872 O ARG B 24 7.821 8.592 0.226 1.00 0.60 O ATOM 873 CB ARG B 24 4.999 6.967 0.647 1.00 0.55 C ATOM 874 CG ARG B 24 5.254 7.626 1.994 1.00 1.05 C ATOM 875 CD ARG B 24 3.999 7.657 2.851 1.00 1.09 C ATOM 876 NE ARG B 24 3.667 9.012 3.286 1.00 1.29 N ATOM 877 CZ ARG B 24 4.271 9.636 4.294 1.00 1.81 C ATOM 878 NH1 ARG B 24 5.241 9.033 4.970 1.00 2.28 N ATOM 879 NH2 ARG B 24 3.906 10.867 4.625 1.00 2.12 N ATOM 0 H ARG B 24 4.930 6.071 -1.655 1.00 0.45 H new ATOM 0 HA ARG B 24 5.432 8.662 -0.602 1.00 0.47 H new ATOM 0 HB2 ARG B 24 3.930 6.994 0.435 1.00 0.55 H new ATOM 0 HB3 ARG B 24 5.286 5.917 0.706 1.00 0.55 H new ATOM 0 HG2 ARG B 24 6.041 7.086 2.520 1.00 1.05 H new ATOM 0 HG3 ARG B 24 5.614 8.643 1.839 1.00 1.05 H new ATOM 0 HD2 ARG B 24 3.164 7.243 2.286 1.00 1.09 H new ATOM 0 HD3 ARG B 24 4.140 7.020 3.724 1.00 1.09 H new ATOM 0 HE ARG B 24 2.929 9.509 2.787 1.00 1.29 H new ATOM 0 HH11 ARG B 24 5.527 8.087 4.718 1.00 2.28 H new ATOM 0 HH12 ARG B 24 5.701 9.516 5.742 1.00 2.28 H new ATOM 0 HH21 ARG B 24 3.162 11.335 4.107 1.00 2.12 H new ATOM 0 HH22 ARG B 24 4.369 11.346 5.398 1.00 2.12 H new ATOM 893 N THR B 25 7.885 6.466 -0.505 1.00 0.52 N ATOM 894 CA THR B 25 9.318 6.314 -0.277 1.00 0.60 C ATOM 895 C THR B 25 10.119 7.303 -1.117 1.00 0.61 C ATOM 896 O THR B 25 10.935 8.058 -0.590 1.00 0.67 O ATOM 897 CB THR B 25 9.760 4.889 -0.602 1.00 0.64 C ATOM 898 OG1 THR B 25 8.782 3.952 -0.189 1.00 0.70 O ATOM 899 CG2 THR B 25 11.070 4.505 0.052 1.00 0.75 C ATOM 0 H THR B 25 7.428 5.637 -0.886 1.00 0.52 H new ATOM 0 HA THR B 25 9.510 6.521 0.776 1.00 0.60 H new ATOM 0 HB THR B 25 9.892 4.868 -1.684 1.00 0.64 H new ATOM 0 HG1 THR B 25 8.142 3.805 -0.917 1.00 0.70 H new ATOM 0 HG21 THR B 25 11.326 3.481 -0.220 1.00 0.75 H new ATOM 0 HG22 THR B 25 11.857 5.178 -0.287 1.00 0.75 H new ATOM 0 HG23 THR B 25 10.971 4.579 1.135 1.00 0.75 H new ATOM 907 N ARG B 26 9.886 7.292 -2.426 1.00 0.61 N ATOM 908 CA ARG B 26 10.596 8.190 -3.333 1.00 0.68 C ATOM 909 C ARG B 26 10.539 9.629 -2.825 1.00 0.64 C ATOM 910 O ARG B 26 11.511 10.378 -2.931 1.00 0.71 O ATOM 911 CB ARG B 26 10.010 8.101 -4.743 1.00 0.72 C ATOM 912 CG ARG B 26 8.514 8.364 -4.803 1.00 0.67 C ATOM 913 CD ARG B 26 8.061 8.716 -6.211 1.00 1.10 C ATOM 914 NE ARG B 26 8.634 9.979 -6.674 1.00 1.56 N ATOM 915 CZ ARG B 26 9.761 10.074 -7.379 1.00 2.14 C ATOM 916 NH1 ARG B 26 10.455 8.987 -7.694 1.00 2.60 N ATOM 917 NH2 ARG B 26 10.200 11.265 -7.765 1.00 2.89 N ATOM 0 H ARG B 26 9.214 6.674 -2.882 1.00 0.61 H new ATOM 0 HA ARG B 26 11.640 7.880 -3.370 1.00 0.68 H new ATOM 0 HB2 ARG B 26 10.522 8.818 -5.385 1.00 0.72 H new ATOM 0 HB3 ARG B 26 10.212 7.110 -5.148 1.00 0.72 H new ATOM 0 HG2 ARG B 26 7.975 7.482 -4.457 1.00 0.67 H new ATOM 0 HG3 ARG B 26 8.260 9.179 -4.125 1.00 0.67 H new ATOM 0 HD2 ARG B 26 8.348 7.916 -6.894 1.00 1.10 H new ATOM 0 HD3 ARG B 26 6.973 8.781 -6.236 1.00 1.10 H new ATOM 0 HE ARG B 26 8.140 10.841 -6.443 1.00 1.56 H new ATOM 0 HH11 ARG B 26 10.127 8.068 -7.396 1.00 2.60 H new ATOM 0 HH12 ARG B 26 11.316 9.071 -8.234 1.00 2.60 H new ATOM 0 HH21 ARG B 26 9.675 12.105 -7.522 1.00 2.89 H new ATOM 0 HH22 ARG B 26 11.062 11.340 -8.305 1.00 2.89 H new ATOM 931 N LEU B 27 9.396 10.001 -2.258 1.00 0.57 N ATOM 932 CA LEU B 27 9.208 11.342 -1.714 1.00 0.55 C ATOM 933 C LEU B 27 9.874 11.462 -0.347 1.00 0.56 C ATOM 934 O LEU B 27 10.361 12.530 0.023 1.00 0.61 O ATOM 935 CB LEU B 27 7.718 11.658 -1.604 1.00 0.51 C ATOM 936 CG LEU B 27 7.100 12.301 -2.848 1.00 0.60 C ATOM 937 CD1 LEU B 27 7.359 11.447 -4.077 1.00 1.38 C ATOM 938 CD2 LEU B 27 5.607 12.520 -2.654 1.00 1.34 C ATOM 0 H LEU B 27 8.584 9.391 -2.163 1.00 0.57 H new ATOM 0 HA LEU B 27 9.673 12.060 -2.389 1.00 0.55 H new ATOM 0 HB2 LEU B 27 7.181 10.735 -1.386 1.00 0.51 H new ATOM 0 HB3 LEU B 27 7.565 12.324 -0.755 1.00 0.51 H new ATOM 0 HG LEU B 27 7.571 13.272 -3.000 1.00 0.60 H new ATOM 0 HD11 LEU B 27 6.912 11.921 -4.951 1.00 1.38 H new ATOM 0 HD12 LEU B 27 8.433 11.345 -4.230 1.00 1.38 H new ATOM 0 HD13 LEU B 27 6.918 10.461 -3.934 1.00 1.38 H new ATOM 0 HD21 LEU B 27 5.187 12.978 -3.550 1.00 1.34 H new ATOM 0 HD22 LEU B 27 5.119 11.562 -2.473 1.00 1.34 H new ATOM 0 HD23 LEU B 27 5.444 13.177 -1.800 1.00 1.34 H new ATOM 950 N VAL B 28 9.902 10.357 0.397 1.00 0.57 N ATOM 951 CA VAL B 28 10.523 10.350 1.718 1.00 0.63 C ATOM 952 C VAL B 28 12.032 10.506 1.591 1.00 0.73 C ATOM 953 O VAL B 28 12.622 11.431 2.151 1.00 0.79 O ATOM 954 CB VAL B 28 10.213 9.055 2.493 1.00 0.66 C ATOM 955 CG1 VAL B 28 10.979 9.018 3.809 1.00 0.77 C ATOM 956 CG2 VAL B 28 8.716 8.923 2.738 1.00 0.63 C ATOM 0 H VAL B 28 9.505 9.463 0.109 1.00 0.57 H new ATOM 0 HA VAL B 28 10.106 11.190 2.274 1.00 0.63 H new ATOM 0 HB VAL B 28 10.537 8.208 1.887 1.00 0.66 H new ATOM 0 HG11 VAL B 28 10.745 8.095 4.340 1.00 0.77 H new ATOM 0 HG12 VAL B 28 12.050 9.060 3.608 1.00 0.77 H new ATOM 0 HG13 VAL B 28 10.691 9.872 4.422 1.00 0.77 H new ATOM 0 HG21 VAL B 28 8.517 8.002 3.287 1.00 0.63 H new ATOM 0 HG22 VAL B 28 8.366 9.775 3.320 1.00 0.63 H new ATOM 0 HG23 VAL B 28 8.192 8.897 1.783 1.00 0.63 H new ATOM 966 N GLN B 29 12.651 9.602 0.839 1.00 0.80 N ATOM 967 CA GLN B 29 14.093 9.647 0.621 1.00 0.92 C ATOM 968 C GLN B 29 14.495 11.028 0.125 1.00 0.94 C ATOM 969 O GLN B 29 15.551 11.550 0.480 1.00 1.02 O ATOM 970 CB GLN B 29 14.516 8.578 -0.388 1.00 1.05 C ATOM 971 CG GLN B 29 15.851 7.928 -0.063 1.00 1.34 C ATOM 972 CD GLN B 29 15.707 6.736 0.863 1.00 1.63 C ATOM 973 OE1 GLN B 29 15.090 5.731 0.509 1.00 2.33 O ATOM 974 NE2 GLN B 29 16.278 6.843 2.057 1.00 1.99 N ATOM 0 H GLN B 29 12.177 8.830 0.370 1.00 0.80 H new ATOM 0 HA GLN B 29 14.598 9.446 1.566 1.00 0.92 H new ATOM 0 HB2 GLN B 29 13.747 7.807 -0.431 1.00 1.05 H new ATOM 0 HB3 GLN B 29 14.572 9.028 -1.379 1.00 1.05 H new ATOM 0 HG2 GLN B 29 16.331 7.609 -0.988 1.00 1.34 H new ATOM 0 HG3 GLN B 29 16.508 8.665 0.399 1.00 1.34 H new ATOM 0 HE21 GLN B 29 16.780 7.695 2.308 1.00 1.99 H new ATOM 0 HE22 GLN B 29 16.215 6.073 2.723 1.00 1.99 H new ATOM 983 N GLN B 30 13.622 11.622 -0.683 1.00 0.93 N ATOM 984 CA GLN B 30 13.855 12.956 -1.216 1.00 1.05 C ATOM 985 C GLN B 30 13.679 13.996 -0.116 1.00 1.03 C ATOM 986 O GLN B 30 14.261 15.079 -0.170 1.00 1.16 O ATOM 987 CB GLN B 30 12.886 13.243 -2.363 1.00 1.14 C ATOM 988 CG GLN B 30 13.272 14.451 -3.199 1.00 1.56 C ATOM 989 CD GLN B 30 14.498 14.200 -4.055 1.00 1.85 C ATOM 990 OE1 GLN B 30 15.177 13.184 -3.904 1.00 2.32 O ATOM 991 NE2 GLN B 30 14.788 15.128 -4.960 1.00 2.39 N ATOM 0 H GLN B 30 12.744 11.197 -0.983 1.00 0.93 H new ATOM 0 HA GLN B 30 14.876 13.008 -1.595 1.00 1.05 H new ATOM 0 HB2 GLN B 30 12.832 12.367 -3.009 1.00 1.14 H new ATOM 0 HB3 GLN B 30 11.888 13.399 -1.954 1.00 1.14 H new ATOM 0 HG2 GLN B 30 12.435 14.726 -3.841 1.00 1.56 H new ATOM 0 HG3 GLN B 30 13.461 15.299 -2.540 1.00 1.56 H new ATOM 0 HE21 GLN B 30 14.197 15.954 -5.050 1.00 2.39 H new ATOM 0 HE22 GLN B 30 15.602 15.014 -5.565 1.00 2.39 H new ATOM 1000 N HIS B 31 12.865 13.652 0.881 1.00 0.92 N ATOM 1001 CA HIS B 31 12.602 14.544 2.005 1.00 1.01 C ATOM 1002 C HIS B 31 13.285 14.051 3.285 1.00 1.11 C ATOM 1003 O HIS B 31 12.615 13.729 4.267 1.00 1.33 O ATOM 1004 CB HIS B 31 11.098 14.658 2.245 1.00 1.26 C ATOM 1005 CG HIS B 31 10.440 15.640 1.341 1.00 1.85 C ATOM 1006 ND1 HIS B 31 9.433 16.517 1.560 1.00 1.98 N flip ATOM 1007 CD2 HIS B 31 10.819 15.810 0.030 1.00 2.73 C flip ATOM 1008 CE1 HIS B 31 9.228 17.195 0.386 1.00 2.71 C flip ATOM 1009 NE2 HIS B 31 10.077 16.748 -0.520 1.00 3.18 N flip ATOM 0 H HIS B 31 12.376 12.758 0.931 1.00 0.92 H new ATOM 0 HA HIS B 31 13.011 15.522 1.752 1.00 1.01 H new ATOM 0 HB2 HIS B 31 10.638 13.680 2.107 1.00 1.26 H new ATOM 0 HB3 HIS B 31 10.921 14.950 3.280 1.00 1.26 H new ATOM 0 HD1 HIS B 31 8.923 16.649 2.433 1.00 1.98 H new ATOM 0 HD2 HIS B 31 11.603 15.260 -0.470 1.00 2.73 H new ATOM 0 HE1 HIS B 31 8.491 17.969 0.228 1.00 2.71 H new ATOM 1018 N PRO B 32 14.628 13.984 3.299 1.00 1.38 N ATOM 1019 CA PRO B 32 15.380 13.528 4.474 1.00 1.79 C ATOM 1020 C PRO B 32 15.241 14.482 5.654 1.00 1.86 C ATOM 1021 O PRO B 32 15.275 14.063 6.811 1.00 2.31 O ATOM 1022 CB PRO B 32 16.830 13.491 3.983 1.00 2.24 C ATOM 1023 CG PRO B 32 16.867 14.440 2.835 1.00 2.17 C ATOM 1024 CD PRO B 32 15.517 14.346 2.183 1.00 1.64 C ATOM 0 HA PRO B 32 15.018 12.567 4.839 1.00 1.79 H new ATOM 0 HB2 PRO B 32 17.522 13.794 4.769 1.00 2.24 H new ATOM 0 HB3 PRO B 32 17.118 12.486 3.675 1.00 2.24 H new ATOM 0 HG2 PRO B 32 17.068 15.456 3.174 1.00 2.17 H new ATOM 0 HG3 PRO B 32 17.659 14.176 2.134 1.00 2.17 H new ATOM 0 HD2 PRO B 32 15.224 15.291 1.725 1.00 1.64 H new ATOM 0 HD3 PRO B 32 15.502 13.592 1.396 1.00 1.64 H new ATOM 1032 N ARG B 33 15.086 15.766 5.353 1.00 2.06 N ATOM 1033 CA ARG B 33 14.941 16.783 6.389 1.00 2.26 C ATOM 1034 C ARG B 33 14.719 18.160 5.772 1.00 3.01 C ATOM 1035 O ARG B 33 14.964 18.309 4.556 1.00 3.62 O ATOM 1036 CB ARG B 33 16.179 16.808 7.286 1.00 2.19 C ATOM 1037 CG ARG B 33 17.473 17.073 6.532 1.00 2.87 C ATOM 1038 CD ARG B 33 18.237 15.787 6.262 1.00 3.48 C ATOM 1039 NE ARG B 33 19.391 15.641 7.147 1.00 4.18 N ATOM 1040 CZ ARG B 33 20.390 14.788 6.927 1.00 4.96 C ATOM 1041 NH1 ARG B 33 20.380 14.006 5.855 1.00 5.21 N ATOM 1042 NH2 ARG B 33 21.401 14.718 7.781 1.00 5.81 N ATOM 0 H ARG B 33 15.057 16.128 4.400 1.00 2.06 H new ATOM 0 HA ARG B 33 14.069 16.529 6.992 1.00 2.26 H new ATOM 0 HB2 ARG B 33 16.049 17.576 8.049 1.00 2.19 H new ATOM 0 HB3 ARG B 33 16.260 15.853 7.805 1.00 2.19 H new ATOM 0 HG2 ARG B 33 17.249 17.569 5.588 1.00 2.87 H new ATOM 0 HG3 ARG B 33 18.098 17.754 7.109 1.00 2.87 H new ATOM 0 HD2 ARG B 33 17.570 14.935 6.392 1.00 3.48 H new ATOM 0 HD3 ARG B 33 18.571 15.775 5.225 1.00 3.48 H new ATOM 0 HE ARG B 33 19.434 16.226 7.981 1.00 4.18 H new ATOM 0 HH11 ARG B 33 19.605 14.056 5.194 1.00 5.21 H new ATOM 0 HH12 ARG B 33 21.148 13.355 5.692 1.00 5.21 H new ATOM 0 HH21 ARG B 33 21.414 15.317 8.606 1.00 5.81 H new ATOM 0 HH22 ARG B 33 22.166 14.065 7.613 1.00 5.81 H new TER 1056 ARG B 33