USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 556 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 LYS NZ :NH3+ 179:sc= 1.19 (180deg=0) USER MOD Set 1.2: A 73 GLN : amide:sc= 1.42 K(o=2.6,f=-4.3!) USER MOD Set 2.1: A 1 MET N :NH3+ -178:sc= 0.752 (180deg=-0.0599) USER MOD Set 2.2: A 3 GLN : amide:sc= 1.03 K(o=1.8,f=-7.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 140:sc= -0.0129 USER MOD Single : A 6 ASN : amide:sc= -0.0453 X(o=-0.045,f=-0.21) USER MOD Single : A 8 GLN : amide:sc= 1.03 K(o=1,f=-1.6) USER MOD Single : A 12 MET CE :methyl -153:sc=-0.000704 (180deg=-0.424) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.255 USER MOD Single : A 17 CYS SG : rot 21:sc= 0.105 USER MOD Single : A 19 SER OG : rot -48:sc= 1.26 USER MOD Single : A 20 SER OG : rot -22:sc= 0.469 USER MOD Single : A 27 LYS NZ :NH3+ 175:sc=-0.00351 (180deg=-0.0525) USER MOD Single : A 32 GLN : amide:sc= -1.51! K(o=-1.5!,f=-0.022) USER MOD Single : A 33 SER OG : rot 68:sc= 1.22 USER MOD Single : A 34 CYS SG : rot 160:sc= -0.0488 USER MOD Single : A 35 GLN : amide:sc= -0.932 K(o=-0.93,f=-1.5) USER MOD Single : A 37 ASN : amide:sc= 0.414 K(o=0.41,f=-3.9!) USER MOD Single : A 42 GLN : amide:sc= -0.209 X(o=-0.21,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.188 USER MOD Single : A 47 TYR OH : rot 147:sc= 0.693 USER MOD Single : A 48 HIS : no HD1:sc= -3.01! K(o=-3!,f=-2.1) USER MOD Single : A 51 THR OG1 : rot 56:sc= 1.14 USER MOD Single : A 52 THR OG1 : rot 76:sc= 1.12 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0.476 K(o=2.2,f=-7.7!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.367 -13.134 -11.172 1.00 5.03 N ATOM 2 CA MET A 1 -6.213 -13.939 -10.716 1.00 4.21 C ATOM 3 C MET A 1 -4.968 -13.081 -10.831 1.00 3.55 C ATOM 4 O MET A 1 -4.891 -12.339 -11.804 1.00 4.30 O ATOM 5 CB MET A 1 -6.045 -15.240 -11.520 1.00 4.58 C ATOM 6 CG MET A 1 -7.312 -16.101 -11.476 1.00 5.25 C ATOM 7 SD MET A 1 -7.993 -16.321 -9.811 1.00 5.92 S ATOM 8 CE MET A 1 -6.956 -17.685 -9.212 1.00 6.76 C ATOM 0 H1 MET A 1 -8.240 -13.690 -11.071 1.00 5.03 H new ATOM 0 H2 MET A 1 -7.437 -12.271 -10.596 1.00 5.03 H new ATOM 0 H3 MET A 1 -7.236 -12.874 -12.170 1.00 5.03 H new ATOM 0 HA MET A 1 -6.384 -14.240 -9.683 1.00 4.21 H new ATOM 0 HB2 MET A 1 -5.804 -14.999 -12.556 1.00 4.58 H new ATOM 0 HB3 MET A 1 -5.205 -15.808 -11.121 1.00 4.58 H new ATOM 0 HG2 MET A 1 -8.071 -15.645 -12.111 1.00 5.25 H new ATOM 0 HG3 MET A 1 -7.089 -17.080 -11.899 1.00 5.25 H new ATOM 0 HE1 MET A 1 -7.248 -17.944 -8.194 1.00 6.76 H new ATOM 0 HE2 MET A 1 -7.086 -18.552 -9.859 1.00 6.76 H new ATOM 0 HE3 MET A 1 -5.910 -17.379 -9.223 1.00 6.76 H new ATOM 20 N ALA A 2 -4.045 -13.149 -9.862 1.00 3.03 N ATOM 21 CA ALA A 2 -2.775 -12.402 -9.857 1.00 3.07 C ATOM 22 C ALA A 2 -2.938 -10.869 -10.006 1.00 2.27 C ATOM 23 O ALA A 2 -2.045 -10.205 -10.526 1.00 2.67 O ATOM 24 CB ALA A 2 -1.836 -13.019 -10.909 1.00 4.10 C ATOM 0 H ALA A 2 -4.162 -13.739 -9.038 1.00 3.03 H new ATOM 0 HA ALA A 2 -2.325 -12.505 -8.870 1.00 3.07 H new ATOM 0 HB1 ALA A 2 -0.891 -12.476 -10.917 1.00 4.10 H new ATOM 0 HB2 ALA A 2 -1.651 -14.065 -10.663 1.00 4.10 H new ATOM 0 HB3 ALA A 2 -2.300 -12.954 -11.893 1.00 4.10 H new ATOM 30 N GLN A 3 -4.074 -10.299 -9.582 1.00 1.62 N ATOM 31 CA GLN A 3 -4.442 -8.898 -9.817 1.00 1.06 C ATOM 32 C GLN A 3 -3.709 -7.934 -8.863 1.00 0.93 C ATOM 33 O GLN A 3 -4.319 -7.208 -8.081 1.00 1.20 O ATOM 34 CB GLN A 3 -5.981 -8.736 -9.832 1.00 1.27 C ATOM 35 CG GLN A 3 -6.770 -9.082 -8.548 1.00 2.11 C ATOM 36 CD GLN A 3 -7.051 -10.567 -8.302 1.00 3.57 C ATOM 37 OE1 GLN A 3 -6.676 -11.464 -9.054 1.00 3.64 O ATOM 38 NE2 GLN A 3 -7.771 -10.890 -7.252 1.00 5.18 N ATOM 0 H GLN A 3 -4.779 -10.813 -9.053 1.00 1.62 H new ATOM 0 HA GLN A 3 -4.096 -8.608 -10.809 1.00 1.06 H new ATOM 0 HB2 GLN A 3 -6.203 -7.700 -10.089 1.00 1.27 H new ATOM 0 HB3 GLN A 3 -6.372 -9.356 -10.639 1.00 1.27 H new ATOM 0 HG2 GLN A 3 -6.218 -8.692 -7.692 1.00 2.11 H new ATOM 0 HG3 GLN A 3 -7.723 -8.554 -8.580 1.00 2.11 H new ATOM 0 HE21 GLN A 3 -8.094 -10.164 -6.613 1.00 5.18 H new ATOM 0 HE22 GLN A 3 -8.007 -11.867 -7.076 1.00 5.18 H new ATOM 47 N THR A 4 -2.373 -7.955 -8.898 1.00 0.80 N ATOM 48 CA THR A 4 -1.511 -7.179 -8.005 1.00 0.75 C ATOM 49 C THR A 4 -1.019 -5.915 -8.692 1.00 0.83 C ATOM 50 O THR A 4 -0.672 -5.907 -9.871 1.00 1.10 O ATOM 51 CB THR A 4 -0.384 -8.054 -7.437 1.00 0.76 C ATOM 52 OG1 THR A 4 0.377 -7.282 -6.549 1.00 0.91 O ATOM 53 CG2 THR A 4 0.574 -8.621 -8.488 1.00 1.06 C ATOM 0 H THR A 4 -1.851 -8.525 -9.563 1.00 0.80 H new ATOM 0 HA THR A 4 -2.093 -6.846 -7.146 1.00 0.75 H new ATOM 0 HB THR A 4 -0.875 -8.902 -6.959 1.00 0.76 H new ATOM 0 HG1 THR A 4 0.618 -7.823 -5.769 1.00 0.91 H new ATOM 0 HG21 THR A 4 1.337 -9.225 -7.997 1.00 1.06 H new ATOM 0 HG22 THR A 4 0.017 -9.240 -9.191 1.00 1.06 H new ATOM 0 HG23 THR A 4 1.051 -7.801 -9.025 1.00 1.06 H new ATOM 61 N ILE A 5 -0.987 -4.836 -7.919 1.00 0.69 N ATOM 62 CA ILE A 5 -0.338 -3.577 -8.270 1.00 0.74 C ATOM 63 C ILE A 5 1.026 -3.585 -7.584 1.00 0.59 C ATOM 64 O ILE A 5 1.092 -3.826 -6.375 1.00 0.50 O ATOM 65 CB ILE A 5 -1.173 -2.359 -7.803 1.00 0.88 C ATOM 66 CG1 ILE A 5 -2.686 -2.458 -8.120 1.00 1.17 C ATOM 67 CG2 ILE A 5 -0.584 -1.066 -8.395 1.00 0.98 C ATOM 68 CD1 ILE A 5 -3.045 -2.648 -9.600 1.00 1.40 C ATOM 0 H ILE A 5 -1.427 -4.812 -6.999 1.00 0.69 H new ATOM 0 HA ILE A 5 -0.239 -3.488 -9.352 1.00 0.74 H new ATOM 0 HB ILE A 5 -1.106 -2.346 -6.715 1.00 0.88 H new ATOM 0 HG12 ILE A 5 -3.103 -3.291 -7.554 1.00 1.17 H new ATOM 0 HG13 ILE A 5 -3.174 -1.552 -7.760 1.00 1.17 H new ATOM 0 HG21 ILE A 5 -1.175 -0.212 -8.064 1.00 0.98 H new ATOM 0 HG22 ILE A 5 0.446 -0.948 -8.058 1.00 0.98 H new ATOM 0 HG23 ILE A 5 -0.605 -1.121 -9.483 1.00 0.98 H new ATOM 0 HD11 ILE A 5 -4.128 -2.705 -9.707 1.00 1.40 H new ATOM 0 HD12 ILE A 5 -2.667 -1.804 -10.177 1.00 1.40 H new ATOM 0 HD13 ILE A 5 -2.595 -3.570 -9.968 1.00 1.40 H new ATOM 80 N ASN A 6 2.084 -3.310 -8.345 1.00 0.67 N ATOM 81 CA ASN A 6 3.417 -3.054 -7.815 1.00 0.56 C ATOM 82 C ASN A 6 3.877 -1.673 -8.287 1.00 0.49 C ATOM 83 O ASN A 6 3.645 -1.283 -9.434 1.00 0.70 O ATOM 84 CB ASN A 6 4.402 -4.172 -8.192 1.00 0.68 C ATOM 85 CG ASN A 6 4.677 -4.251 -9.685 1.00 1.00 C ATOM 86 OD1 ASN A 6 5.729 -3.857 -10.165 1.00 2.11 O ATOM 87 ND2 ASN A 6 3.733 -4.737 -10.470 1.00 1.00 N ATOM 0 H ASN A 6 2.036 -3.259 -9.363 1.00 0.67 H new ATOM 0 HA ASN A 6 3.385 -3.053 -6.725 1.00 0.56 H new ATOM 0 HB2 ASN A 6 5.342 -4.012 -7.664 1.00 0.68 H new ATOM 0 HB3 ASN A 6 4.004 -5.128 -7.852 1.00 0.68 H new ATOM 0 HD21 ASN A 6 3.882 -4.784 -11.478 1.00 1.00 H new ATOM 0 HD22 ASN A 6 2.855 -5.066 -10.068 1.00 1.00 H new ATOM 94 N LEU A 7 4.457 -0.908 -7.366 1.00 0.48 N ATOM 95 CA LEU A 7 4.788 0.504 -7.520 1.00 0.49 C ATOM 96 C LEU A 7 5.711 0.949 -6.388 1.00 0.45 C ATOM 97 O LEU A 7 5.929 0.205 -5.440 1.00 0.47 O ATOM 98 CB LEU A 7 3.506 1.358 -7.630 1.00 0.56 C ATOM 99 CG LEU A 7 2.723 1.648 -6.327 1.00 0.51 C ATOM 100 CD1 LEU A 7 1.510 2.514 -6.685 1.00 0.66 C ATOM 101 CD2 LEU A 7 2.236 0.393 -5.589 1.00 0.52 C ATOM 0 H LEU A 7 4.721 -1.273 -6.451 1.00 0.48 H new ATOM 0 HA LEU A 7 5.332 0.653 -8.453 1.00 0.49 H new ATOM 0 HB2 LEU A 7 3.777 2.314 -8.079 1.00 0.56 H new ATOM 0 HB3 LEU A 7 2.829 0.860 -8.325 1.00 0.56 H new ATOM 0 HG LEU A 7 3.411 2.151 -5.648 1.00 0.51 H new ATOM 0 HD11 LEU A 7 0.940 2.733 -5.782 1.00 0.66 H new ATOM 0 HD12 LEU A 7 1.849 3.447 -7.135 1.00 0.66 H new ATOM 0 HD13 LEU A 7 0.877 1.979 -7.393 1.00 0.66 H new ATOM 0 HD21 LEU A 7 1.697 0.687 -4.688 1.00 0.52 H new ATOM 0 HD22 LEU A 7 1.572 -0.177 -6.239 1.00 0.52 H new ATOM 0 HD23 LEU A 7 3.092 -0.223 -5.315 1.00 0.52 H new ATOM 113 N GLN A 8 6.254 2.157 -6.464 1.00 0.52 N ATOM 114 CA GLN A 8 7.011 2.778 -5.386 1.00 0.52 C ATOM 115 C GLN A 8 6.149 3.793 -4.631 1.00 0.51 C ATOM 116 O GLN A 8 5.062 4.187 -5.067 1.00 0.60 O ATOM 117 CB GLN A 8 8.308 3.363 -5.961 1.00 0.72 C ATOM 118 CG GLN A 8 9.321 2.252 -6.266 1.00 0.75 C ATOM 119 CD GLN A 8 10.501 2.774 -7.076 1.00 1.04 C ATOM 120 OE1 GLN A 8 10.722 2.388 -8.214 1.00 1.44 O ATOM 121 NE2 GLN A 8 11.278 3.698 -6.562 1.00 1.10 N ATOM 0 H GLN A 8 6.179 2.744 -7.294 1.00 0.52 H new ATOM 0 HA GLN A 8 7.296 2.036 -4.640 1.00 0.52 H new ATOM 0 HB2 GLN A 8 8.088 3.920 -6.872 1.00 0.72 H new ATOM 0 HB3 GLN A 8 8.739 4.069 -5.251 1.00 0.72 H new ATOM 0 HG2 GLN A 8 9.682 1.822 -5.332 1.00 0.75 H new ATOM 0 HG3 GLN A 8 8.828 1.450 -6.816 1.00 0.75 H new ATOM 0 HE21 GLN A 8 11.111 4.035 -5.614 1.00 1.10 H new ATOM 0 HE22 GLN A 8 12.049 4.080 -7.111 1.00 1.10 H new ATOM 130 N LEU A 9 6.626 4.193 -3.457 1.00 0.50 N ATOM 131 CA LEU A 9 5.815 4.845 -2.436 1.00 0.48 C ATOM 132 C LEU A 9 6.419 6.220 -2.105 1.00 0.53 C ATOM 133 O LEU A 9 7.609 6.350 -1.838 1.00 0.83 O ATOM 134 CB LEU A 9 5.727 3.836 -1.269 1.00 0.55 C ATOM 135 CG LEU A 9 4.510 4.014 -0.348 1.00 0.72 C ATOM 136 CD1 LEU A 9 4.127 2.664 0.271 1.00 1.89 C ATOM 137 CD2 LEU A 9 4.793 5.006 0.774 1.00 1.50 C ATOM 0 H LEU A 9 7.601 4.071 -3.184 1.00 0.50 H new ATOM 0 HA LEU A 9 4.796 5.080 -2.744 1.00 0.48 H new ATOM 0 HB2 LEU A 9 5.707 2.827 -1.681 1.00 0.55 H new ATOM 0 HB3 LEU A 9 6.633 3.917 -0.669 1.00 0.55 H new ATOM 0 HG LEU A 9 3.692 4.402 -0.955 1.00 0.72 H new ATOM 0 HD11 LEU A 9 3.264 2.795 0.923 1.00 1.89 H new ATOM 0 HD12 LEU A 9 3.879 1.958 -0.521 1.00 1.89 H new ATOM 0 HD13 LEU A 9 4.965 2.279 0.852 1.00 1.89 H new ATOM 0 HD21 LEU A 9 3.909 5.105 1.404 1.00 1.50 H new ATOM 0 HD22 LEU A 9 5.628 4.647 1.375 1.00 1.50 H new ATOM 0 HD23 LEU A 9 5.044 5.977 0.347 1.00 1.50 H new ATOM 149 N GLU A 10 5.592 7.254 -2.220 1.00 0.54 N ATOM 150 CA GLU A 10 5.929 8.682 -2.214 1.00 0.68 C ATOM 151 C GLU A 10 5.608 9.275 -0.829 1.00 0.68 C ATOM 152 O GLU A 10 4.775 8.728 -0.107 1.00 0.69 O ATOM 153 CB GLU A 10 5.099 9.339 -3.333 1.00 0.97 C ATOM 154 CG GLU A 10 5.550 10.716 -3.833 1.00 1.59 C ATOM 155 CD GLU A 10 5.270 11.830 -2.829 1.00 2.89 C ATOM 156 OE1 GLU A 10 4.086 12.003 -2.459 1.00 4.10 O ATOM 157 OE2 GLU A 10 6.256 12.449 -2.387 1.00 3.78 O ATOM 0 H GLU A 10 4.588 7.109 -2.329 1.00 0.54 H new ATOM 0 HA GLU A 10 6.989 8.858 -2.397 1.00 0.68 H new ATOM 0 HB2 GLU A 10 5.086 8.659 -4.185 1.00 0.97 H new ATOM 0 HB3 GLU A 10 4.071 9.429 -2.981 1.00 0.97 H new ATOM 0 HG2 GLU A 10 6.618 10.687 -4.049 1.00 1.59 H new ATOM 0 HG3 GLU A 10 5.042 10.942 -4.770 1.00 1.59 H new ATOM 164 N GLY A 11 6.279 10.351 -0.414 1.00 1.28 N ATOM 165 CA GLY A 11 6.168 10.933 0.933 1.00 1.50 C ATOM 166 C GLY A 11 6.913 10.141 2.014 1.00 1.36 C ATOM 167 O GLY A 11 7.265 10.700 3.057 1.00 1.64 O ATOM 0 H GLY A 11 6.930 10.856 -1.015 1.00 1.28 H new ATOM 0 HA2 GLY A 11 6.555 11.952 0.911 1.00 1.50 H new ATOM 0 HA3 GLY A 11 5.114 10.998 1.205 1.00 1.50 H new ATOM 171 N MET A 12 7.196 8.857 1.757 1.00 1.18 N ATOM 172 CA MET A 12 8.039 8.000 2.596 1.00 1.17 C ATOM 173 C MET A 12 9.365 8.700 2.935 1.00 1.36 C ATOM 174 O MET A 12 10.004 9.276 2.054 1.00 2.37 O ATOM 175 CB MET A 12 8.209 6.615 1.933 1.00 1.48 C ATOM 176 CG MET A 12 9.309 6.516 0.868 1.00 2.18 C ATOM 177 SD MET A 12 10.950 6.068 1.501 1.00 3.16 S ATOM 178 CE MET A 12 11.965 7.120 0.434 1.00 5.07 C ATOM 0 H MET A 12 6.833 8.373 0.935 1.00 1.18 H new ATOM 0 HA MET A 12 7.551 7.824 3.555 1.00 1.17 H new ATOM 0 HB2 MET A 12 8.418 5.883 2.713 1.00 1.48 H new ATOM 0 HB3 MET A 12 7.260 6.333 1.476 1.00 1.48 H new ATOM 0 HG2 MET A 12 9.009 5.778 0.124 1.00 2.18 H new ATOM 0 HG3 MET A 12 9.383 7.474 0.354 1.00 2.18 H new ATOM 0 HE1 MET A 12 12.952 6.673 0.315 1.00 5.07 H new ATOM 0 HE2 MET A 12 11.490 7.214 -0.542 1.00 5.07 H new ATOM 0 HE3 MET A 12 12.065 8.107 0.885 1.00 5.07 H new ATOM 188 N ARG A 13 9.761 8.684 4.218 1.00 1.18 N ATOM 189 CA ARG A 13 11.022 9.308 4.674 1.00 1.57 C ATOM 190 C ARG A 13 11.391 9.151 6.156 1.00 1.69 C ATOM 191 O ARG A 13 12.503 9.524 6.527 1.00 2.59 O ATOM 192 CB ARG A 13 11.051 10.821 4.340 1.00 2.20 C ATOM 193 CG ARG A 13 12.327 11.182 3.565 1.00 2.96 C ATOM 194 CD ARG A 13 12.584 12.691 3.569 1.00 3.65 C ATOM 195 NE ARG A 13 13.115 13.132 4.874 1.00 4.41 N ATOM 196 CZ ARG A 13 13.195 14.380 5.324 1.00 5.56 C ATOM 197 NH1 ARG A 13 12.734 15.402 4.630 1.00 6.03 N ATOM 198 NH2 ARG A 13 13.748 14.615 6.495 1.00 6.93 N ATOM 0 H ARG A 13 9.224 8.243 4.965 1.00 1.18 H new ATOM 0 HA ARG A 13 11.768 8.740 4.119 1.00 1.57 H new ATOM 0 HB2 ARG A 13 10.174 11.085 3.749 1.00 2.20 H new ATOM 0 HB3 ARG A 13 11.002 11.403 5.261 1.00 2.20 H new ATOM 0 HG2 ARG A 13 13.179 10.666 4.007 1.00 2.96 H new ATOM 0 HG3 ARG A 13 12.240 10.830 2.537 1.00 2.96 H new ATOM 0 HD2 ARG A 13 13.291 12.946 2.779 1.00 3.65 H new ATOM 0 HD3 ARG A 13 11.658 13.222 3.351 1.00 3.65 H new ATOM 0 HE ARG A 13 13.457 12.400 5.497 1.00 4.41 H new ATOM 0 HH11 ARG A 13 12.301 15.246 3.720 1.00 6.03 H new ATOM 0 HH12 ARG A 13 12.811 16.348 5.003 1.00 6.03 H new ATOM 0 HH21 ARG A 13 14.112 13.842 7.051 1.00 6.93 H new ATOM 0 HH22 ARG A 13 13.812 15.571 6.846 1.00 6.93 H new ATOM 212 N CYS A 14 10.472 8.710 7.023 1.00 1.49 N ATOM 213 CA CYS A 14 10.624 8.648 8.489 1.00 1.78 C ATOM 214 C CYS A 14 9.434 7.878 9.105 1.00 1.95 C ATOM 215 O CYS A 14 8.779 7.128 8.386 1.00 2.64 O ATOM 216 CB CYS A 14 10.768 10.085 9.043 1.00 2.43 C ATOM 217 SG CYS A 14 11.564 10.054 10.676 1.00 3.32 S ATOM 0 H CYS A 14 9.561 8.371 6.713 1.00 1.49 H new ATOM 0 HA CYS A 14 11.526 8.101 8.763 1.00 1.78 H new ATOM 0 HB2 CYS A 14 11.358 10.690 8.355 1.00 2.43 H new ATOM 0 HB3 CYS A 14 9.787 10.553 9.118 1.00 2.43 H new ATOM 0 HG CYS A 14 11.679 11.268 11.126 1.00 3.32 H new ATOM 223 N ALA A 15 9.133 8.063 10.394 1.00 2.38 N ATOM 224 CA ALA A 15 7.826 7.811 11.032 1.00 3.11 C ATOM 225 C ALA A 15 7.336 6.343 11.100 1.00 2.31 C ATOM 226 O ALA A 15 6.337 6.081 11.757 1.00 3.37 O ATOM 227 CB ALA A 15 6.781 8.718 10.358 1.00 4.27 C ATOM 0 H ALA A 15 9.825 8.410 11.058 1.00 2.38 H new ATOM 0 HA ALA A 15 7.966 8.050 12.086 1.00 3.11 H new ATOM 0 HB1 ALA A 15 5.805 8.549 10.813 1.00 4.27 H new ATOM 0 HB2 ALA A 15 7.067 9.762 10.488 1.00 4.27 H new ATOM 0 HB3 ALA A 15 6.730 8.486 9.294 1.00 4.27 H new ATOM 233 N ALA A 16 7.995 5.399 10.416 1.00 2.01 N ATOM 234 CA ALA A 16 7.707 3.954 10.348 1.00 2.10 C ATOM 235 C ALA A 16 6.434 3.584 9.554 1.00 1.79 C ATOM 236 O ALA A 16 6.299 2.429 9.154 1.00 2.22 O ATOM 237 CB ALA A 16 7.692 3.337 11.757 1.00 2.42 C ATOM 0 H ALA A 16 8.808 5.641 9.850 1.00 2.01 H new ATOM 0 HA ALA A 16 8.525 3.519 9.774 1.00 2.10 H new ATOM 0 HB1 ALA A 16 7.478 2.271 11.685 1.00 2.42 H new ATOM 0 HB2 ALA A 16 8.665 3.481 12.228 1.00 2.42 H new ATOM 0 HB3 ALA A 16 6.923 3.822 12.358 1.00 2.42 H new ATOM 243 N CYS A 17 5.540 4.541 9.265 1.00 1.21 N ATOM 244 CA CYS A 17 4.161 4.357 8.786 1.00 0.95 C ATOM 245 C CYS A 17 3.913 3.366 7.633 1.00 0.77 C ATOM 246 O CYS A 17 2.775 2.925 7.482 1.00 0.81 O ATOM 247 CB CYS A 17 3.615 5.732 8.366 1.00 1.02 C ATOM 248 SG CYS A 17 3.731 6.970 9.678 1.00 1.74 S ATOM 0 H CYS A 17 5.776 5.528 9.366 1.00 1.21 H new ATOM 0 HA CYS A 17 3.649 3.900 9.633 1.00 0.95 H new ATOM 0 HB2 CYS A 17 4.165 6.084 7.493 1.00 1.02 H new ATOM 0 HB3 CYS A 17 2.573 5.626 8.065 1.00 1.02 H new ATOM 0 HG CYS A 17 4.634 6.606 10.539 1.00 1.74 H new ATOM 254 N ALA A 18 4.911 3.017 6.812 1.00 0.79 N ATOM 255 CA ALA A 18 4.720 2.199 5.609 1.00 0.80 C ATOM 256 C ALA A 18 4.068 0.841 5.922 1.00 0.73 C ATOM 257 O ALA A 18 3.029 0.519 5.364 1.00 0.69 O ATOM 258 CB ALA A 18 6.062 2.049 4.885 1.00 1.11 C ATOM 0 H ALA A 18 5.880 3.296 6.965 1.00 0.79 H new ATOM 0 HA ALA A 18 4.020 2.708 4.947 1.00 0.80 H new ATOM 0 HB1 ALA A 18 5.927 1.442 3.990 1.00 1.11 H new ATOM 0 HB2 ALA A 18 6.435 3.033 4.603 1.00 1.11 H new ATOM 0 HB3 ALA A 18 6.780 1.565 5.547 1.00 1.11 H new ATOM 264 N SER A 19 4.583 0.067 6.873 1.00 0.83 N ATOM 265 CA SER A 19 3.965 -1.231 7.221 1.00 0.90 C ATOM 266 C SER A 19 2.632 -1.106 7.997 1.00 0.74 C ATOM 267 O SER A 19 1.843 -2.049 8.081 1.00 0.74 O ATOM 268 CB SER A 19 4.984 -2.127 7.926 1.00 1.24 C ATOM 269 OG SER A 19 6.039 -2.405 7.023 1.00 2.32 O ATOM 0 H SER A 19 5.414 0.302 7.416 1.00 0.83 H new ATOM 0 HA SER A 19 3.678 -1.710 6.285 1.00 0.90 H new ATOM 0 HB2 SER A 19 5.369 -1.633 8.818 1.00 1.24 H new ATOM 0 HB3 SER A 19 4.512 -3.053 8.253 1.00 1.24 H new ATOM 0 HG SER A 19 5.666 -2.685 6.161 1.00 2.32 H new ATOM 275 N SER A 20 2.293 0.092 8.488 1.00 0.71 N ATOM 276 CA SER A 20 0.928 0.396 8.947 1.00 0.68 C ATOM 277 C SER A 20 -0.094 0.465 7.791 1.00 0.60 C ATOM 278 O SER A 20 -1.300 0.529 8.049 1.00 0.58 O ATOM 279 CB SER A 20 0.894 1.698 9.761 1.00 0.76 C ATOM 280 OG SER A 20 -0.381 1.851 10.354 1.00 1.24 O ATOM 0 H SER A 20 2.946 0.870 8.579 1.00 0.71 H new ATOM 0 HA SER A 20 0.633 -0.434 9.589 1.00 0.68 H new ATOM 0 HB2 SER A 20 1.665 1.678 10.531 1.00 0.76 H new ATOM 0 HB3 SER A 20 1.111 2.549 9.115 1.00 0.76 H new ATOM 0 HG SER A 20 -1.040 1.326 9.853 1.00 1.24 H new ATOM 286 N ILE A 21 0.361 0.471 6.532 1.00 0.61 N ATOM 287 CA ILE A 21 -0.456 0.283 5.320 1.00 0.58 C ATOM 288 C ILE A 21 -0.811 -1.201 5.191 1.00 0.62 C ATOM 289 O ILE A 21 -1.988 -1.550 5.216 1.00 0.65 O ATOM 290 CB ILE A 21 0.288 0.812 4.065 1.00 0.61 C ATOM 291 CG1 ILE A 21 0.695 2.300 4.242 1.00 0.57 C ATOM 292 CG2 ILE A 21 -0.536 0.532 2.797 1.00 0.67 C ATOM 293 CD1 ILE A 21 1.702 2.792 3.201 1.00 0.70 C ATOM 0 H ILE A 21 1.348 0.612 6.318 1.00 0.61 H new ATOM 0 HA ILE A 21 -1.378 0.859 5.401 1.00 0.58 H new ATOM 0 HB ILE A 21 1.226 0.270 3.943 1.00 0.61 H new ATOM 0 HG12 ILE A 21 -0.200 2.920 4.190 1.00 0.57 H new ATOM 0 HG13 ILE A 21 1.119 2.435 5.237 1.00 0.57 H new ATOM 0 HG21 ILE A 21 -0.001 0.909 1.925 1.00 0.67 H new ATOM 0 HG22 ILE A 21 -0.689 -0.542 2.693 1.00 0.67 H new ATOM 0 HG23 ILE A 21 -1.502 1.031 2.873 1.00 0.67 H new ATOM 0 HD11 ILE A 21 1.938 3.839 3.389 1.00 0.70 H new ATOM 0 HD12 ILE A 21 2.613 2.197 3.267 1.00 0.70 H new ATOM 0 HD13 ILE A 21 1.274 2.690 2.204 1.00 0.70 H new ATOM 305 N GLU A 22 0.205 -2.069 5.157 1.00 0.62 N ATOM 306 CA GLU A 22 0.084 -3.530 5.061 1.00 0.66 C ATOM 307 C GLU A 22 -0.913 -4.074 6.100 1.00 0.66 C ATOM 308 O GLU A 22 -1.839 -4.820 5.770 1.00 0.68 O ATOM 309 CB GLU A 22 1.483 -4.170 5.245 1.00 0.71 C ATOM 310 CG GLU A 22 2.510 -3.652 4.224 1.00 0.77 C ATOM 311 CD GLU A 22 3.912 -4.247 4.395 1.00 0.82 C ATOM 312 OE1 GLU A 22 4.687 -3.696 5.210 1.00 1.99 O ATOM 313 OE2 GLU A 22 4.245 -5.180 3.632 1.00 1.98 O ATOM 0 H GLU A 22 1.177 -1.761 5.197 1.00 0.62 H new ATOM 0 HA GLU A 22 -0.303 -3.791 4.076 1.00 0.66 H new ATOM 0 HB2 GLU A 22 1.843 -3.964 6.253 1.00 0.71 H new ATOM 0 HB3 GLU A 22 1.398 -5.253 5.152 1.00 0.71 H new ATOM 0 HG2 GLU A 22 2.152 -3.874 3.219 1.00 0.77 H new ATOM 0 HG3 GLU A 22 2.574 -2.567 4.307 1.00 0.77 H new ATOM 320 N ARG A 23 -0.790 -3.598 7.348 1.00 0.66 N ATOM 321 CA ARG A 23 -1.656 -3.942 8.480 1.00 0.69 C ATOM 322 C ARG A 23 -3.092 -3.395 8.378 1.00 0.70 C ATOM 323 O ARG A 23 -3.995 -3.912 9.043 1.00 0.75 O ATOM 324 CB ARG A 23 -0.980 -3.418 9.761 1.00 0.76 C ATOM 325 CG ARG A 23 -1.415 -4.183 11.018 1.00 0.94 C ATOM 326 CD ARG A 23 -0.743 -5.566 11.063 1.00 1.62 C ATOM 327 NE ARG A 23 -1.237 -6.401 12.172 1.00 1.95 N ATOM 328 CZ ARG A 23 -0.932 -6.283 13.462 1.00 2.14 C ATOM 329 NH1 ARG A 23 -0.220 -5.276 13.928 1.00 2.97 N ATOM 330 NH2 ARG A 23 -1.338 -7.200 14.315 1.00 2.48 N ATOM 0 H ARG A 23 -0.056 -2.938 7.604 1.00 0.66 H new ATOM 0 HA ARG A 23 -1.769 -5.026 8.488 1.00 0.69 H new ATOM 0 HB2 ARG A 23 0.102 -3.493 9.652 1.00 0.76 H new ATOM 0 HB3 ARG A 23 -1.216 -2.361 9.885 1.00 0.76 H new ATOM 0 HG2 ARG A 23 -1.149 -3.613 11.908 1.00 0.94 H new ATOM 0 HG3 ARG A 23 -2.499 -4.298 11.025 1.00 0.94 H new ATOM 0 HD2 ARG A 23 -0.918 -6.082 10.119 1.00 1.62 H new ATOM 0 HD3 ARG A 23 0.335 -5.439 11.161 1.00 1.62 H new ATOM 0 HE ARG A 23 -1.883 -7.151 11.924 1.00 1.95 H new ATOM 0 HH11 ARG A 23 0.117 -4.553 13.293 1.00 2.97 H new ATOM 0 HH12 ARG A 23 -0.007 -5.220 14.924 1.00 2.97 H new ATOM 0 HH21 ARG A 23 -1.884 -7.996 13.986 1.00 2.48 H new ATOM 0 HH22 ARG A 23 -1.107 -7.114 15.305 1.00 2.48 H new ATOM 344 N ALA A 24 -3.319 -2.336 7.598 1.00 0.69 N ATOM 345 CA ALA A 24 -4.651 -1.793 7.327 1.00 0.70 C ATOM 346 C ALA A 24 -5.328 -2.527 6.159 1.00 0.67 C ATOM 347 O ALA A 24 -6.482 -2.925 6.279 1.00 0.72 O ATOM 348 CB ALA A 24 -4.531 -0.284 7.059 1.00 0.75 C ATOM 0 H ALA A 24 -2.571 -1.824 7.130 1.00 0.69 H new ATOM 0 HA ALA A 24 -5.288 -1.948 8.198 1.00 0.70 H new ATOM 0 HB1 ALA A 24 -5.519 0.129 6.856 1.00 0.75 H new ATOM 0 HB2 ALA A 24 -4.105 0.208 7.933 1.00 0.75 H new ATOM 0 HB3 ALA A 24 -3.884 -0.118 6.198 1.00 0.75 H new ATOM 354 N ILE A 25 -4.594 -2.781 5.068 1.00 0.63 N ATOM 355 CA ILE A 25 -5.094 -3.498 3.880 1.00 0.66 C ATOM 356 C ILE A 25 -5.488 -4.935 4.230 1.00 0.66 C ATOM 357 O ILE A 25 -6.423 -5.465 3.643 1.00 0.68 O ATOM 358 CB ILE A 25 -4.064 -3.453 2.730 1.00 0.72 C ATOM 359 CG1 ILE A 25 -3.794 -2.007 2.259 1.00 0.69 C ATOM 360 CG2 ILE A 25 -4.584 -4.296 1.550 1.00 0.91 C ATOM 361 CD1 ILE A 25 -2.561 -1.893 1.354 1.00 1.03 C ATOM 0 H ILE A 25 -3.620 -2.491 4.981 1.00 0.63 H new ATOM 0 HA ILE A 25 -5.993 -2.989 3.532 1.00 0.66 H new ATOM 0 HB ILE A 25 -3.123 -3.861 3.100 1.00 0.72 H new ATOM 0 HG12 ILE A 25 -4.667 -1.636 1.723 1.00 0.69 H new ATOM 0 HG13 ILE A 25 -3.659 -1.366 3.130 1.00 0.69 H new ATOM 0 HG21 ILE A 25 -3.860 -4.267 0.736 1.00 0.91 H new ATOM 0 HG22 ILE A 25 -4.725 -5.327 1.874 1.00 0.91 H new ATOM 0 HG23 ILE A 25 -5.535 -3.891 1.205 1.00 0.91 H new ATOM 0 HD11 ILE A 25 -2.423 -0.854 1.056 1.00 1.03 H new ATOM 0 HD12 ILE A 25 -1.679 -2.235 1.896 1.00 1.03 H new ATOM 0 HD13 ILE A 25 -2.703 -2.509 0.466 1.00 1.03 H new ATOM 373 N ALA A 26 -4.886 -5.503 5.277 1.00 0.68 N ATOM 374 CA ALA A 26 -5.324 -6.747 5.919 1.00 0.73 C ATOM 375 C ALA A 26 -6.831 -6.811 6.278 1.00 0.78 C ATOM 376 O ALA A 26 -7.329 -7.877 6.626 1.00 0.90 O ATOM 377 CB ALA A 26 -4.450 -6.952 7.164 1.00 0.82 C ATOM 0 H ALA A 26 -4.057 -5.100 5.715 1.00 0.68 H new ATOM 0 HA ALA A 26 -5.200 -7.552 5.195 1.00 0.73 H new ATOM 0 HB1 ALA A 26 -4.747 -7.871 7.670 1.00 0.82 H new ATOM 0 HB2 ALA A 26 -3.404 -7.024 6.866 1.00 0.82 H new ATOM 0 HB3 ALA A 26 -4.578 -6.107 7.841 1.00 0.82 H new ATOM 383 N LYS A 27 -7.564 -5.687 6.253 1.00 0.75 N ATOM 384 CA LYS A 27 -9.026 -5.629 6.391 1.00 0.84 C ATOM 385 C LYS A 27 -9.791 -5.585 5.049 1.00 0.80 C ATOM 386 O LYS A 27 -11.012 -5.744 5.056 1.00 0.87 O ATOM 387 CB LYS A 27 -9.380 -4.387 7.228 1.00 0.97 C ATOM 388 CG LYS A 27 -9.065 -4.501 8.725 1.00 1.24 C ATOM 389 CD LYS A 27 -7.597 -4.746 9.118 1.00 1.39 C ATOM 390 CE LYS A 27 -7.370 -4.625 10.628 1.00 1.87 C ATOM 391 NZ LYS A 27 -8.211 -5.589 11.388 1.00 3.46 N ATOM 0 H LYS A 27 -7.142 -4.766 6.133 1.00 0.75 H new ATOM 0 HA LYS A 27 -9.339 -6.553 6.877 1.00 0.84 H new ATOM 0 HB2 LYS A 27 -8.842 -3.530 6.823 1.00 0.97 H new ATOM 0 HB3 LYS A 27 -10.444 -4.180 7.111 1.00 0.97 H new ATOM 0 HG2 LYS A 27 -9.396 -3.583 9.211 1.00 1.24 H new ATOM 0 HG3 LYS A 27 -9.665 -5.313 9.136 1.00 1.24 H new ATOM 0 HD2 LYS A 27 -7.296 -5.740 8.786 1.00 1.39 H new ATOM 0 HD3 LYS A 27 -6.960 -4.030 8.599 1.00 1.39 H new ATOM 0 HE2 LYS A 27 -6.318 -4.802 10.854 1.00 1.87 H new ATOM 0 HE3 LYS A 27 -7.598 -3.609 10.950 1.00 1.87 H new ATOM 0 HZ1 LYS A 27 -7.970 -5.538 12.398 1.00 3.46 H new ATOM 0 HZ2 LYS A 27 -9.215 -5.351 11.259 1.00 3.46 H new ATOM 0 HZ3 LYS A 27 -8.036 -6.553 11.039 1.00 3.46 H new ATOM 405 N VAL A 28 -9.131 -5.357 3.914 1.00 0.72 N ATOM 406 CA VAL A 28 -9.761 -5.286 2.587 1.00 0.75 C ATOM 407 C VAL A 28 -10.072 -6.709 2.123 1.00 0.72 C ATOM 408 O VAL A 28 -9.154 -7.526 2.083 1.00 0.63 O ATOM 409 CB VAL A 28 -8.860 -4.555 1.560 1.00 0.75 C ATOM 410 CG1 VAL A 28 -9.506 -4.499 0.164 1.00 1.05 C ATOM 411 CG2 VAL A 28 -8.584 -3.109 2.013 1.00 0.94 C ATOM 0 H VAL A 28 -8.122 -5.213 3.886 1.00 0.72 H new ATOM 0 HA VAL A 28 -10.682 -4.707 2.660 1.00 0.75 H new ATOM 0 HB VAL A 28 -7.932 -5.124 1.504 1.00 0.75 H new ATOM 0 HG11 VAL A 28 -8.840 -3.978 -0.524 1.00 1.05 H new ATOM 0 HG12 VAL A 28 -9.680 -5.513 -0.197 1.00 1.05 H new ATOM 0 HG13 VAL A 28 -10.455 -3.967 0.223 1.00 1.05 H new ATOM 0 HG21 VAL A 28 -7.950 -2.612 1.279 1.00 0.94 H new ATOM 0 HG22 VAL A 28 -9.527 -2.569 2.102 1.00 0.94 H new ATOM 0 HG23 VAL A 28 -8.080 -3.120 2.979 1.00 0.94 H new ATOM 421 N PRO A 29 -11.324 -7.031 1.736 1.00 0.91 N ATOM 422 CA PRO A 29 -11.711 -8.410 1.456 1.00 1.04 C ATOM 423 C PRO A 29 -10.986 -9.006 0.241 1.00 1.11 C ATOM 424 O PRO A 29 -10.821 -10.218 0.162 1.00 2.21 O ATOM 425 CB PRO A 29 -13.234 -8.388 1.274 1.00 1.29 C ATOM 426 CG PRO A 29 -13.532 -6.948 0.865 1.00 1.33 C ATOM 427 CD PRO A 29 -12.482 -6.155 1.639 1.00 1.09 C ATOM 0 HA PRO A 29 -11.419 -9.064 2.278 1.00 1.04 H new ATOM 0 HB2 PRO A 29 -13.556 -9.095 0.510 1.00 1.29 H new ATOM 0 HB3 PRO A 29 -13.751 -8.657 2.195 1.00 1.29 H new ATOM 0 HG2 PRO A 29 -13.436 -6.805 -0.211 1.00 1.33 H new ATOM 0 HG3 PRO A 29 -14.545 -6.651 1.137 1.00 1.33 H new ATOM 0 HD2 PRO A 29 -12.231 -5.229 1.122 1.00 1.09 H new ATOM 0 HD3 PRO A 29 -12.849 -5.879 2.628 1.00 1.09 H new ATOM 435 N GLY A 30 -10.493 -8.167 -0.679 1.00 1.03 N ATOM 436 CA GLY A 30 -9.698 -8.610 -1.826 1.00 1.11 C ATOM 437 C GLY A 30 -8.204 -8.798 -1.548 1.00 0.85 C ATOM 438 O GLY A 30 -7.486 -9.134 -2.490 1.00 0.88 O ATOM 0 H GLY A 30 -10.636 -7.158 -0.646 1.00 1.03 H new ATOM 0 HA2 GLY A 30 -10.106 -9.554 -2.188 1.00 1.11 H new ATOM 0 HA3 GLY A 30 -9.813 -7.884 -2.630 1.00 1.11 H new ATOM 442 N VAL A 31 -7.723 -8.547 -0.322 1.00 0.70 N ATOM 443 CA VAL A 31 -6.309 -8.751 0.050 1.00 0.59 C ATOM 444 C VAL A 31 -5.953 -10.223 -0.156 1.00 0.72 C ATOM 445 O VAL A 31 -6.616 -11.117 0.369 1.00 1.07 O ATOM 446 CB VAL A 31 -5.979 -8.277 1.488 1.00 0.57 C ATOM 447 CG1 VAL A 31 -6.536 -9.154 2.625 1.00 0.98 C ATOM 448 CG2 VAL A 31 -4.455 -8.155 1.668 1.00 0.73 C ATOM 0 H VAL A 31 -8.301 -8.197 0.442 1.00 0.70 H new ATOM 0 HA VAL A 31 -5.694 -8.128 -0.600 1.00 0.59 H new ATOM 0 HB VAL A 31 -6.482 -7.314 1.576 1.00 0.57 H new ATOM 0 HG11 VAL A 31 -6.246 -8.731 3.587 1.00 0.98 H new ATOM 0 HG12 VAL A 31 -7.623 -9.190 2.558 1.00 0.98 H new ATOM 0 HG13 VAL A 31 -6.134 -10.163 2.537 1.00 0.98 H new ATOM 0 HG21 VAL A 31 -4.234 -7.821 2.682 1.00 0.73 H new ATOM 0 HG22 VAL A 31 -3.989 -9.125 1.496 1.00 0.73 H new ATOM 0 HG23 VAL A 31 -4.061 -7.432 0.954 1.00 0.73 H new ATOM 458 N GLN A 32 -4.909 -10.465 -0.943 1.00 0.57 N ATOM 459 CA GLN A 32 -4.284 -11.783 -1.039 1.00 0.60 C ATOM 460 C GLN A 32 -2.852 -11.786 -0.502 1.00 0.61 C ATOM 461 O GLN A 32 -2.386 -12.859 -0.133 1.00 0.86 O ATOM 462 CB GLN A 32 -4.401 -12.328 -2.468 1.00 0.79 C ATOM 463 CG GLN A 32 -3.537 -11.594 -3.504 1.00 0.96 C ATOM 464 CD GLN A 32 -2.224 -12.284 -3.886 1.00 1.37 C ATOM 465 OE1 GLN A 32 -1.833 -12.251 -5.042 1.00 2.01 O ATOM 466 NE2 GLN A 32 -1.512 -12.945 -2.994 1.00 1.45 N ATOM 0 H GLN A 32 -4.472 -9.756 -1.532 1.00 0.57 H new ATOM 0 HA GLN A 32 -4.829 -12.469 -0.390 1.00 0.60 H new ATOM 0 HB2 GLN A 32 -4.124 -13.382 -2.465 1.00 0.79 H new ATOM 0 HB3 GLN A 32 -5.444 -12.273 -2.780 1.00 0.79 H new ATOM 0 HG2 GLN A 32 -4.129 -11.454 -4.409 1.00 0.96 H new ATOM 0 HG3 GLN A 32 -3.305 -10.601 -3.118 1.00 0.96 H new ATOM 0 HE21 GLN A 32 -1.821 -12.985 -2.023 1.00 1.45 H new ATOM 0 HE22 GLN A 32 -0.652 -13.416 -3.275 1.00 1.45 H new ATOM 475 N SER A 33 -2.167 -10.636 -0.422 1.00 0.51 N ATOM 476 CA SER A 33 -0.986 -10.400 0.431 1.00 0.70 C ATOM 477 C SER A 33 -0.377 -9.021 0.197 1.00 0.50 C ATOM 478 O SER A 33 -0.377 -8.530 -0.933 1.00 0.56 O ATOM 479 CB SER A 33 0.114 -11.460 0.286 1.00 1.17 C ATOM 480 OG SER A 33 -0.149 -12.523 1.175 1.00 2.01 O ATOM 0 H SER A 33 -2.427 -9.814 -0.967 1.00 0.51 H new ATOM 0 HA SER A 33 -1.375 -10.466 1.447 1.00 0.70 H new ATOM 0 HB2 SER A 33 0.149 -11.828 -0.740 1.00 1.17 H new ATOM 0 HB3 SER A 33 1.089 -11.022 0.501 1.00 1.17 H new ATOM 0 HG SER A 33 -0.956 -12.999 0.886 1.00 2.01 H new ATOM 486 N CYS A 34 0.165 -8.425 1.263 1.00 0.59 N ATOM 487 CA CYS A 34 0.857 -7.137 1.251 1.00 0.47 C ATOM 488 C CYS A 34 2.356 -7.347 1.491 1.00 0.51 C ATOM 489 O CYS A 34 2.737 -8.168 2.324 1.00 0.88 O ATOM 490 CB CYS A 34 0.287 -6.249 2.371 1.00 0.62 C ATOM 491 SG CYS A 34 -1.523 -6.158 2.335 1.00 1.06 S ATOM 0 H CYS A 34 0.131 -8.844 2.192 1.00 0.59 H new ATOM 0 HA CYS A 34 0.711 -6.659 0.282 1.00 0.47 H new ATOM 0 HB2 CYS A 34 0.608 -6.638 3.337 1.00 0.62 H new ATOM 0 HB3 CYS A 34 0.700 -5.244 2.279 1.00 0.62 H new ATOM 0 HG CYS A 34 -1.961 -5.776 3.498 1.00 1.06 H new ATOM 497 N GLN A 35 3.182 -6.601 0.758 1.00 0.39 N ATOM 498 CA GLN A 35 4.631 -6.585 0.905 1.00 0.48 C ATOM 499 C GLN A 35 5.127 -5.180 0.528 1.00 0.45 C ATOM 500 O GLN A 35 4.937 -4.761 -0.619 1.00 0.51 O ATOM 501 CB GLN A 35 5.319 -7.631 -0.004 1.00 0.62 C ATOM 502 CG GLN A 35 4.896 -9.111 0.126 1.00 1.40 C ATOM 503 CD GLN A 35 3.614 -9.548 -0.608 1.00 2.17 C ATOM 504 OE1 GLN A 35 3.189 -10.686 -0.504 1.00 3.23 O ATOM 505 NE2 GLN A 35 2.934 -8.723 -1.384 1.00 2.73 N ATOM 0 H GLN A 35 2.849 -5.974 0.025 1.00 0.39 H new ATOM 0 HA GLN A 35 4.882 -6.836 1.936 1.00 0.48 H new ATOM 0 HB2 GLN A 35 5.157 -7.329 -1.039 1.00 0.62 H new ATOM 0 HB3 GLN A 35 6.392 -7.575 0.180 1.00 0.62 H new ATOM 0 HG2 GLN A 35 5.718 -9.729 -0.234 1.00 1.40 H new ATOM 0 HG3 GLN A 35 4.770 -9.334 1.186 1.00 1.40 H new ATOM 0 HE21 GLN A 35 3.248 -7.760 -1.504 1.00 2.73 H new ATOM 0 HE22 GLN A 35 2.095 -9.049 -1.863 1.00 2.73 H new ATOM 514 N VAL A 36 5.747 -4.463 1.468 1.00 0.49 N ATOM 515 CA VAL A 36 6.323 -3.123 1.262 1.00 0.48 C ATOM 516 C VAL A 36 7.778 -3.076 1.757 1.00 0.48 C ATOM 517 O VAL A 36 8.067 -3.388 2.910 1.00 0.67 O ATOM 518 CB VAL A 36 5.481 -2.024 1.959 1.00 0.67 C ATOM 519 CG1 VAL A 36 6.046 -0.610 1.722 1.00 2.04 C ATOM 520 CG2 VAL A 36 4.017 -2.030 1.486 1.00 2.68 C ATOM 0 H VAL A 36 5.868 -4.804 2.422 1.00 0.49 H new ATOM 0 HA VAL A 36 6.309 -2.923 0.191 1.00 0.48 H new ATOM 0 HB VAL A 36 5.530 -2.263 3.021 1.00 0.67 H new ATOM 0 HG11 VAL A 36 5.420 0.122 2.231 1.00 2.04 H new ATOM 0 HG12 VAL A 36 7.062 -0.554 2.114 1.00 2.04 H new ATOM 0 HG13 VAL A 36 6.057 -0.397 0.653 1.00 2.04 H new ATOM 0 HG21 VAL A 36 3.465 -1.244 2.001 1.00 2.68 H new ATOM 0 HG22 VAL A 36 3.981 -1.854 0.411 1.00 2.68 H new ATOM 0 HG23 VAL A 36 3.566 -2.997 1.711 1.00 2.68 H new ATOM 530 N ASN A 37 8.698 -2.656 0.881 1.00 0.52 N ATOM 531 CA ASN A 37 10.115 -2.485 1.191 1.00 0.53 C ATOM 532 C ASN A 37 10.439 -1.006 1.461 1.00 0.57 C ATOM 533 O ASN A 37 10.762 -0.246 0.544 1.00 0.57 O ATOM 534 CB ASN A 37 10.973 -3.054 0.049 1.00 0.66 C ATOM 535 CG ASN A 37 12.431 -3.140 0.471 1.00 0.95 C ATOM 536 OD1 ASN A 37 13.202 -2.207 0.298 1.00 0.81 O ATOM 537 ND2 ASN A 37 12.846 -4.234 1.080 1.00 1.87 N ATOM 0 H ASN A 37 8.469 -2.421 -0.085 1.00 0.52 H new ATOM 0 HA ASN A 37 10.350 -3.038 2.100 1.00 0.53 H new ATOM 0 HB2 ASN A 37 10.610 -4.043 -0.229 1.00 0.66 H new ATOM 0 HB3 ASN A 37 10.880 -2.421 -0.834 1.00 0.66 H new ATOM 0 HD21 ASN A 37 13.810 -4.301 1.407 1.00 1.87 H new ATOM 0 HD22 ASN A 37 12.203 -5.012 1.224 1.00 1.87 H new ATOM 544 N PHE A 38 10.411 -0.600 2.737 1.00 0.75 N ATOM 545 CA PHE A 38 10.738 0.759 3.195 1.00 0.85 C ATOM 546 C PHE A 38 12.261 1.053 3.156 1.00 0.87 C ATOM 547 O PHE A 38 12.869 1.413 4.161 1.00 1.06 O ATOM 548 CB PHE A 38 10.088 0.989 4.577 1.00 1.12 C ATOM 549 CG PHE A 38 9.856 2.430 5.028 1.00 1.34 C ATOM 550 CD1 PHE A 38 10.333 3.541 4.299 1.00 2.24 C ATOM 551 CD2 PHE A 38 9.112 2.658 6.204 1.00 2.28 C ATOM 552 CE1 PHE A 38 10.054 4.848 4.734 1.00 2.83 C ATOM 553 CE2 PHE A 38 8.814 3.968 6.623 1.00 2.85 C ATOM 554 CZ PHE A 38 9.282 5.064 5.883 1.00 2.78 C ATOM 0 H PHE A 38 10.153 -1.224 3.501 1.00 0.75 H new ATOM 0 HA PHE A 38 10.317 1.487 2.501 1.00 0.85 H new ATOM 0 HB2 PHE A 38 9.125 0.478 4.583 1.00 1.12 H new ATOM 0 HB3 PHE A 38 10.712 0.501 5.325 1.00 1.12 H new ATOM 0 HD1 PHE A 38 10.915 3.386 3.403 1.00 2.24 H new ATOM 0 HD2 PHE A 38 8.767 1.818 6.789 1.00 2.28 H new ATOM 0 HE1 PHE A 38 10.437 5.691 4.179 1.00 2.83 H new ATOM 0 HE2 PHE A 38 8.225 4.129 7.514 1.00 2.85 H new ATOM 0 HZ PHE A 38 9.048 6.070 6.198 1.00 2.78 H new ATOM 564 N ALA A 39 12.874 0.883 1.979 1.00 0.78 N ATOM 565 CA ALA A 39 14.262 1.247 1.680 1.00 0.85 C ATOM 566 C ALA A 39 14.445 1.494 0.174 1.00 0.78 C ATOM 567 O ALA A 39 14.920 2.553 -0.218 1.00 1.09 O ATOM 568 CB ALA A 39 15.198 0.145 2.204 1.00 0.94 C ATOM 0 H ALA A 39 12.397 0.471 1.177 1.00 0.78 H new ATOM 0 HA ALA A 39 14.516 2.179 2.184 1.00 0.85 H new ATOM 0 HB1 ALA A 39 16.232 0.411 1.984 1.00 0.94 H new ATOM 0 HB2 ALA A 39 15.071 0.042 3.282 1.00 0.94 H new ATOM 0 HB3 ALA A 39 14.955 -0.800 1.718 1.00 0.94 H new ATOM 574 N LEU A 40 13.977 0.567 -0.672 1.00 0.57 N ATOM 575 CA LEU A 40 13.895 0.672 -2.122 1.00 0.57 C ATOM 576 C LEU A 40 12.441 1.043 -2.551 1.00 0.54 C ATOM 577 O LEU A 40 11.980 0.748 -3.649 1.00 0.67 O ATOM 578 CB LEU A 40 14.517 -0.667 -2.598 1.00 0.61 C ATOM 579 CG LEU A 40 14.217 -1.138 -4.014 1.00 0.62 C ATOM 580 CD1 LEU A 40 14.660 -0.139 -5.096 1.00 0.67 C ATOM 581 CD2 LEU A 40 14.873 -2.502 -4.276 1.00 0.71 C ATOM 0 H LEU A 40 13.626 -0.329 -0.334 1.00 0.57 H new ATOM 0 HA LEU A 40 14.445 1.481 -2.602 1.00 0.57 H new ATOM 0 HB2 LEU A 40 15.599 -0.586 -2.497 1.00 0.61 H new ATOM 0 HB3 LEU A 40 14.191 -1.448 -1.911 1.00 0.61 H new ATOM 0 HG LEU A 40 13.132 -1.222 -4.081 1.00 0.62 H new ATOM 0 HD11 LEU A 40 14.416 -0.537 -6.081 1.00 0.67 H new ATOM 0 HD12 LEU A 40 14.142 0.809 -4.950 1.00 0.67 H new ATOM 0 HD13 LEU A 40 15.736 0.021 -5.025 1.00 0.67 H new ATOM 0 HD21 LEU A 40 14.649 -2.824 -5.293 1.00 0.71 H new ATOM 0 HD22 LEU A 40 15.953 -2.416 -4.152 1.00 0.71 H new ATOM 0 HD23 LEU A 40 14.484 -3.235 -3.569 1.00 0.71 H new ATOM 593 N GLU A 41 11.695 1.681 -1.644 1.00 0.53 N ATOM 594 CA GLU A 41 10.388 2.333 -1.833 1.00 0.54 C ATOM 595 C GLU A 41 9.213 1.445 -2.284 1.00 0.50 C ATOM 596 O GLU A 41 8.093 1.950 -2.319 1.00 0.54 O ATOM 597 CB GLU A 41 10.489 3.489 -2.841 1.00 0.69 C ATOM 598 CG GLU A 41 11.365 4.675 -2.430 1.00 0.85 C ATOM 599 CD GLU A 41 11.197 5.822 -3.437 1.00 1.13 C ATOM 600 OE1 GLU A 41 10.889 5.525 -4.614 1.00 2.38 O ATOM 601 OE2 GLU A 41 11.380 7.006 -3.089 1.00 1.74 O ATOM 0 H GLU A 41 12.013 1.764 -0.678 1.00 0.53 H new ATOM 0 HA GLU A 41 10.153 2.663 -0.821 1.00 0.54 H new ATOM 0 HB2 GLU A 41 10.872 3.091 -3.781 1.00 0.69 H new ATOM 0 HB3 GLU A 41 9.483 3.859 -3.038 1.00 0.69 H new ATOM 0 HG2 GLU A 41 11.089 5.013 -1.431 1.00 0.85 H new ATOM 0 HG3 GLU A 41 12.410 4.368 -2.386 1.00 0.85 H new ATOM 608 N GLN A 42 9.398 0.190 -2.709 1.00 0.48 N ATOM 609 CA GLN A 42 8.297 -0.524 -3.366 1.00 0.42 C ATOM 610 C GLN A 42 7.186 -0.973 -2.411 1.00 0.39 C ATOM 611 O GLN A 42 7.448 -1.446 -1.311 1.00 0.51 O ATOM 612 CB GLN A 42 8.794 -1.698 -4.218 1.00 0.46 C ATOM 613 CG GLN A 42 9.082 -2.962 -3.378 1.00 0.53 C ATOM 614 CD GLN A 42 10.309 -3.708 -3.851 1.00 0.49 C ATOM 615 OE1 GLN A 42 10.259 -4.786 -4.409 1.00 1.34 O ATOM 616 NE2 GLN A 42 11.479 -3.153 -3.624 1.00 1.03 N ATOM 0 H GLN A 42 10.266 -0.337 -2.615 1.00 0.48 H new ATOM 0 HA GLN A 42 7.847 0.214 -4.030 1.00 0.42 H new ATOM 0 HB2 GLN A 42 8.048 -1.933 -4.977 1.00 0.46 H new ATOM 0 HB3 GLN A 42 9.701 -1.402 -4.744 1.00 0.46 H new ATOM 0 HG2 GLN A 42 9.214 -2.678 -2.334 1.00 0.53 H new ATOM 0 HG3 GLN A 42 8.219 -3.626 -3.420 1.00 0.53 H new ATOM 0 HE21 GLN A 42 11.532 -2.248 -3.156 1.00 1.03 H new ATOM 0 HE22 GLN A 42 12.334 -3.627 -3.916 1.00 1.03 H new ATOM 625 N ALA A 43 5.957 -0.954 -2.914 1.00 0.33 N ATOM 626 CA ALA A 43 4.873 -1.821 -2.478 1.00 0.32 C ATOM 627 C ALA A 43 4.547 -2.822 -3.594 1.00 0.42 C ATOM 628 O ALA A 43 4.618 -2.483 -4.777 1.00 0.71 O ATOM 629 CB ALA A 43 3.651 -0.958 -2.127 1.00 0.47 C ATOM 0 H ALA A 43 5.681 -0.315 -3.659 1.00 0.33 H new ATOM 0 HA ALA A 43 5.165 -2.382 -1.590 1.00 0.32 H new ATOM 0 HB1 ALA A 43 2.834 -1.601 -1.799 1.00 0.47 H new ATOM 0 HB2 ALA A 43 3.912 -0.266 -1.326 1.00 0.47 H new ATOM 0 HB3 ALA A 43 3.339 -0.394 -3.006 1.00 0.47 H new ATOM 635 N VAL A 44 4.135 -4.029 -3.212 1.00 0.36 N ATOM 636 CA VAL A 44 3.369 -4.937 -4.077 1.00 0.39 C ATOM 637 C VAL A 44 2.192 -5.498 -3.293 1.00 0.44 C ATOM 638 O VAL A 44 2.380 -6.029 -2.197 1.00 0.49 O ATOM 639 CB VAL A 44 4.233 -6.041 -4.729 1.00 0.47 C ATOM 640 CG1 VAL A 44 5.062 -6.890 -3.757 1.00 0.56 C ATOM 641 CG2 VAL A 44 3.399 -6.969 -5.626 1.00 0.53 C ATOM 0 H VAL A 44 4.323 -4.412 -2.286 1.00 0.36 H new ATOM 0 HA VAL A 44 2.990 -4.362 -4.921 1.00 0.39 H new ATOM 0 HB VAL A 44 4.947 -5.477 -5.329 1.00 0.47 H new ATOM 0 HG11 VAL A 44 5.630 -7.633 -4.316 1.00 0.56 H new ATOM 0 HG12 VAL A 44 5.749 -6.247 -3.207 1.00 0.56 H new ATOM 0 HG13 VAL A 44 4.397 -7.394 -3.056 1.00 0.56 H new ATOM 0 HG21 VAL A 44 4.046 -7.730 -6.064 1.00 0.53 H new ATOM 0 HG22 VAL A 44 2.624 -7.451 -5.030 1.00 0.53 H new ATOM 0 HG23 VAL A 44 2.935 -6.386 -6.421 1.00 0.53 H new ATOM 651 N VAL A 45 0.980 -5.341 -3.838 1.00 0.54 N ATOM 652 CA VAL A 45 -0.262 -5.819 -3.201 1.00 0.52 C ATOM 653 C VAL A 45 -1.314 -6.145 -4.262 1.00 0.51 C ATOM 654 O VAL A 45 -1.604 -5.328 -5.136 1.00 0.54 O ATOM 655 CB VAL A 45 -0.890 -4.804 -2.205 1.00 0.53 C ATOM 656 CG1 VAL A 45 -1.928 -5.473 -1.300 1.00 0.75 C ATOM 657 CG2 VAL A 45 0.106 -4.045 -1.303 1.00 0.91 C ATOM 0 H VAL A 45 0.828 -4.879 -4.734 1.00 0.54 H new ATOM 0 HA VAL A 45 0.028 -6.706 -2.638 1.00 0.52 H new ATOM 0 HB VAL A 45 -1.348 -4.067 -2.864 1.00 0.53 H new ATOM 0 HG11 VAL A 45 -2.346 -4.733 -0.617 1.00 0.75 H new ATOM 0 HG12 VAL A 45 -2.726 -5.894 -1.911 1.00 0.75 H new ATOM 0 HG13 VAL A 45 -1.452 -6.268 -0.727 1.00 0.75 H new ATOM 0 HG21 VAL A 45 -0.440 -3.365 -0.649 1.00 0.91 H new ATOM 0 HG22 VAL A 45 0.666 -4.758 -0.698 1.00 0.91 H new ATOM 0 HG23 VAL A 45 0.797 -3.475 -1.924 1.00 0.91 H new ATOM 667 N SER A 46 -1.956 -7.306 -4.130 1.00 0.59 N ATOM 668 CA SER A 46 -3.271 -7.565 -4.731 1.00 0.68 C ATOM 669 C SER A 46 -4.317 -7.520 -3.617 1.00 0.61 C ATOM 670 O SER A 46 -4.242 -8.284 -2.657 1.00 0.61 O ATOM 671 CB SER A 46 -3.306 -8.898 -5.492 1.00 0.97 C ATOM 672 OG SER A 46 -4.625 -9.417 -5.622 1.00 1.69 O ATOM 0 H SER A 46 -1.582 -8.096 -3.604 1.00 0.59 H new ATOM 0 HA SER A 46 -3.489 -6.798 -5.474 1.00 0.68 H new ATOM 0 HB2 SER A 46 -2.875 -8.758 -6.483 1.00 0.97 H new ATOM 0 HB3 SER A 46 -2.682 -9.626 -4.973 1.00 0.97 H new ATOM 0 HG SER A 46 -4.596 -10.264 -6.114 1.00 1.69 H new ATOM 678 N TYR A 47 -5.285 -6.620 -3.775 1.00 0.75 N ATOM 679 CA TYR A 47 -6.217 -6.158 -2.746 1.00 0.80 C ATOM 680 C TYR A 47 -7.618 -5.860 -3.319 1.00 0.96 C ATOM 681 O TYR A 47 -8.279 -4.895 -2.951 1.00 1.45 O ATOM 682 CB TYR A 47 -5.596 -5.060 -1.844 1.00 0.89 C ATOM 683 CG TYR A 47 -4.875 -3.814 -2.384 1.00 0.93 C ATOM 684 CD1 TYR A 47 -4.091 -3.797 -3.563 1.00 1.41 C ATOM 685 CD2 TYR A 47 -4.835 -2.674 -1.552 1.00 1.72 C ATOM 686 CE1 TYR A 47 -3.309 -2.680 -3.905 1.00 1.49 C ATOM 687 CE2 TYR A 47 -4.001 -1.580 -1.853 1.00 1.88 C ATOM 688 CZ TYR A 47 -3.238 -1.575 -3.037 1.00 1.30 C ATOM 689 OH TYR A 47 -2.462 -0.504 -3.356 1.00 1.54 O ATOM 0 H TYR A 47 -5.450 -6.168 -4.674 1.00 0.75 H new ATOM 0 HA TYR A 47 -6.399 -6.980 -2.054 1.00 0.80 H new ATOM 0 HB2 TYR A 47 -6.403 -4.694 -1.209 1.00 0.89 H new ATOM 0 HB3 TYR A 47 -4.883 -5.567 -1.193 1.00 0.89 H new ATOM 0 HD1 TYR A 47 -4.094 -4.660 -4.213 1.00 1.41 H new ATOM 0 HD2 TYR A 47 -5.455 -2.640 -0.669 1.00 1.72 H new ATOM 0 HE1 TYR A 47 -2.762 -2.670 -4.836 1.00 1.49 H new ATOM 0 HE2 TYR A 47 -3.946 -0.742 -1.174 1.00 1.88 H new ATOM 0 HH TYR A 47 -2.877 0.315 -3.013 1.00 1.54 H new ATOM 699 N HIS A 48 -8.060 -6.725 -4.244 1.00 0.79 N ATOM 700 CA HIS A 48 -9.204 -6.551 -5.148 1.00 0.89 C ATOM 701 C HIS A 48 -9.902 -7.897 -5.440 1.00 1.00 C ATOM 702 O HIS A 48 -9.222 -8.908 -5.652 1.00 1.30 O ATOM 703 CB HIS A 48 -8.689 -5.969 -6.475 1.00 1.10 C ATOM 704 CG HIS A 48 -7.631 -4.911 -6.341 1.00 1.14 C ATOM 705 ND1 HIS A 48 -7.859 -3.561 -6.073 1.00 1.05 N ATOM 706 CD2 HIS A 48 -6.286 -5.148 -6.396 1.00 1.34 C ATOM 707 CE1 HIS A 48 -6.641 -3.005 -6.008 1.00 1.17 C ATOM 708 NE2 HIS A 48 -5.682 -3.923 -6.223 1.00 1.38 N ATOM 0 H HIS A 48 -7.597 -7.622 -4.389 1.00 0.79 H new ATOM 0 HA HIS A 48 -9.924 -5.885 -4.673 1.00 0.89 H new ATOM 0 HB2 HIS A 48 -8.291 -6.783 -7.081 1.00 1.10 H new ATOM 0 HB3 HIS A 48 -9.534 -5.549 -7.021 1.00 1.10 H new ATOM 0 HD2 HIS A 48 -5.798 -6.100 -6.545 1.00 1.34 H new ATOM 0 HE1 HIS A 48 -6.455 -1.960 -5.810 1.00 1.17 H new ATOM 0 HE2 HIS A 48 -4.679 -3.742 -6.253 1.00 1.38 H new ATOM 716 N GLY A 49 -11.237 -7.923 -5.508 1.00 1.33 N ATOM 717 CA GLY A 49 -12.006 -9.132 -5.853 1.00 1.72 C ATOM 718 C GLY A 49 -13.511 -8.930 -5.740 1.00 1.73 C ATOM 719 O GLY A 49 -14.243 -9.252 -6.669 1.00 2.55 O ATOM 0 H GLY A 49 -11.820 -7.106 -5.326 1.00 1.33 H new ATOM 0 HA2 GLY A 49 -11.761 -9.434 -6.871 1.00 1.72 H new ATOM 0 HA3 GLY A 49 -11.704 -9.948 -5.197 1.00 1.72 H new ATOM 723 N GLU A 50 -13.945 -8.322 -4.638 1.00 2.18 N ATOM 724 CA GLU A 50 -15.129 -7.464 -4.633 1.00 2.80 C ATOM 725 C GLU A 50 -14.711 -6.141 -5.311 1.00 2.62 C ATOM 726 O GLU A 50 -13.592 -5.678 -5.053 1.00 3.82 O ATOM 727 CB GLU A 50 -15.599 -7.295 -3.173 1.00 3.73 C ATOM 728 CG GLU A 50 -17.044 -6.807 -3.020 1.00 4.21 C ATOM 729 CD GLU A 50 -17.221 -5.428 -3.634 1.00 4.44 C ATOM 730 OE1 GLU A 50 -16.549 -4.494 -3.156 1.00 5.13 O ATOM 731 OE2 GLU A 50 -17.910 -5.344 -4.673 1.00 4.85 O ATOM 0 H GLU A 50 -13.490 -8.409 -3.729 1.00 2.18 H new ATOM 0 HA GLU A 50 -15.975 -7.878 -5.182 1.00 2.80 H new ATOM 0 HB2 GLU A 50 -15.496 -8.251 -2.659 1.00 3.73 H new ATOM 0 HB3 GLU A 50 -14.936 -6.590 -2.671 1.00 3.73 H new ATOM 0 HG2 GLU A 50 -17.723 -7.512 -3.500 1.00 4.21 H new ATOM 0 HG3 GLU A 50 -17.311 -6.776 -1.964 1.00 4.21 H new ATOM 738 N THR A 51 -15.562 -5.604 -6.202 1.00 2.11 N ATOM 739 CA THR A 51 -15.408 -4.403 -7.054 1.00 2.20 C ATOM 740 C THR A 51 -14.033 -4.228 -7.708 1.00 2.31 C ATOM 741 O THR A 51 -13.908 -4.454 -8.909 1.00 3.77 O ATOM 742 CB THR A 51 -15.900 -3.156 -6.296 1.00 2.74 C ATOM 743 OG1 THR A 51 -17.291 -3.270 -6.136 1.00 3.52 O ATOM 744 CG2 THR A 51 -15.699 -1.846 -7.063 1.00 3.75 C ATOM 0 H THR A 51 -16.469 -6.042 -6.363 1.00 2.11 H new ATOM 0 HA THR A 51 -16.049 -4.556 -7.922 1.00 2.20 H new ATOM 0 HB THR A 51 -15.330 -3.119 -5.367 1.00 2.74 H new ATOM 0 HG1 THR A 51 -17.500 -4.113 -5.683 1.00 3.52 H new ATOM 0 HG21 THR A 51 -16.070 -1.014 -6.465 1.00 3.75 H new ATOM 0 HG22 THR A 51 -14.638 -1.702 -7.266 1.00 3.75 H new ATOM 0 HG23 THR A 51 -16.246 -1.888 -8.005 1.00 3.75 H new ATOM 752 N THR A 52 -13.043 -3.794 -6.916 1.00 2.12 N ATOM 753 CA THR A 52 -11.689 -3.249 -7.185 1.00 2.51 C ATOM 754 C THR A 52 -11.653 -1.883 -6.491 1.00 1.50 C ATOM 755 O THR A 52 -11.885 -0.855 -7.133 1.00 1.83 O ATOM 756 CB THR A 52 -11.284 -3.185 -8.668 1.00 3.93 C ATOM 757 OG1 THR A 52 -11.267 -4.504 -9.154 1.00 5.15 O ATOM 758 CG2 THR A 52 -9.873 -2.641 -8.892 1.00 4.74 C ATOM 0 H THR A 52 -13.193 -3.819 -5.907 1.00 2.12 H new ATOM 0 HA THR A 52 -10.936 -3.930 -6.788 1.00 2.51 H new ATOM 0 HB THR A 52 -11.994 -2.525 -9.167 1.00 3.93 H new ATOM 0 HG1 THR A 52 -12.187 -4.814 -9.290 1.00 5.15 H new ATOM 0 HG21 THR A 52 -9.655 -2.624 -9.960 1.00 4.74 H new ATOM 0 HG22 THR A 52 -9.805 -1.629 -8.492 1.00 4.74 H new ATOM 0 HG23 THR A 52 -9.151 -3.281 -8.384 1.00 4.74 H new ATOM 766 N PRO A 53 -11.497 -1.855 -5.153 1.00 1.78 N ATOM 767 CA PRO A 53 -11.794 -0.670 -4.363 1.00 2.22 C ATOM 768 C PRO A 53 -10.670 0.360 -4.485 1.00 1.66 C ATOM 769 O PRO A 53 -9.516 0.064 -4.195 1.00 1.59 O ATOM 770 CB PRO A 53 -11.978 -1.180 -2.929 1.00 3.78 C ATOM 771 CG PRO A 53 -11.076 -2.414 -2.867 1.00 4.15 C ATOM 772 CD PRO A 53 -11.194 -2.986 -4.280 1.00 3.11 C ATOM 0 HA PRO A 53 -12.690 -0.152 -4.705 1.00 2.22 H new ATOM 0 HB2 PRO A 53 -11.682 -0.430 -2.196 1.00 3.78 H new ATOM 0 HB3 PRO A 53 -13.018 -1.433 -2.724 1.00 3.78 H new ATOM 0 HG2 PRO A 53 -10.047 -2.152 -2.621 1.00 4.15 H new ATOM 0 HG3 PRO A 53 -11.413 -3.125 -2.113 1.00 4.15 H new ATOM 0 HD2 PRO A 53 -10.267 -3.473 -4.582 1.00 3.11 H new ATOM 0 HD3 PRO A 53 -11.981 -3.739 -4.331 1.00 3.11 H new ATOM 780 N GLN A 54 -11.011 1.600 -4.847 1.00 1.46 N ATOM 781 CA GLN A 54 -10.055 2.714 -4.962 1.00 1.19 C ATOM 782 C GLN A 54 -9.368 3.072 -3.626 1.00 0.87 C ATOM 783 O GLN A 54 -8.317 3.709 -3.619 1.00 0.95 O ATOM 784 CB GLN A 54 -10.774 3.905 -5.615 1.00 1.55 C ATOM 785 CG GLN A 54 -9.813 5.009 -6.084 1.00 2.53 C ATOM 786 CD GLN A 54 -10.537 6.020 -6.969 1.00 3.12 C ATOM 787 OE1 GLN A 54 -11.104 6.990 -6.505 1.00 2.84 O ATOM 788 NE2 GLN A 54 -10.593 5.812 -8.268 1.00 4.62 N ATOM 0 H GLN A 54 -11.970 1.866 -5.072 1.00 1.46 H new ATOM 0 HA GLN A 54 -9.227 2.406 -5.600 1.00 1.19 H new ATOM 0 HB2 GLN A 54 -11.352 3.549 -6.468 1.00 1.55 H new ATOM 0 HB3 GLN A 54 -11.483 4.328 -4.903 1.00 1.55 H new ATOM 0 HG2 GLN A 54 -9.386 5.517 -5.219 1.00 2.53 H new ATOM 0 HG3 GLN A 54 -8.984 4.565 -6.635 1.00 2.53 H new ATOM 0 HE21 GLN A 54 -10.123 5.003 -8.676 1.00 4.62 H new ATOM 0 HE22 GLN A 54 -11.106 6.459 -8.867 1.00 4.62 H new ATOM 797 N ILE A 55 -9.889 2.544 -2.511 1.00 0.88 N ATOM 798 CA ILE A 55 -9.238 2.407 -1.189 1.00 0.91 C ATOM 799 C ILE A 55 -7.799 1.850 -1.266 1.00 0.86 C ATOM 800 O ILE A 55 -7.011 2.017 -0.338 1.00 0.90 O ATOM 801 CB ILE A 55 -10.142 1.540 -0.271 1.00 1.17 C ATOM 802 CG1 ILE A 55 -11.591 2.078 -0.165 1.00 1.31 C ATOM 803 CG2 ILE A 55 -9.569 1.344 1.145 1.00 1.37 C ATOM 804 CD1 ILE A 55 -11.723 3.526 0.330 1.00 2.68 C ATOM 0 H ILE A 55 -10.840 2.175 -2.501 1.00 0.88 H new ATOM 0 HA ILE A 55 -9.129 3.405 -0.764 1.00 0.91 H new ATOM 0 HB ILE A 55 -10.166 0.569 -0.766 1.00 1.17 H new ATOM 0 HG12 ILE A 55 -12.061 2.003 -1.146 1.00 1.31 H new ATOM 0 HG13 ILE A 55 -12.153 1.430 0.508 1.00 1.31 H new ATOM 0 HG21 ILE A 55 -10.251 0.729 1.732 1.00 1.37 H new ATOM 0 HG22 ILE A 55 -8.600 0.850 1.080 1.00 1.37 H new ATOM 0 HG23 ILE A 55 -9.450 2.314 1.627 1.00 1.37 H new ATOM 0 HD11 ILE A 55 -12.777 3.803 0.367 1.00 2.68 H new ATOM 0 HD12 ILE A 55 -11.290 3.611 1.327 1.00 2.68 H new ATOM 0 HD13 ILE A 55 -11.196 4.193 -0.352 1.00 2.68 H new ATOM 816 N LEU A 56 -7.422 1.252 -2.403 1.00 0.88 N ATOM 817 CA LEU A 56 -6.048 0.909 -2.763 1.00 0.91 C ATOM 818 C LEU A 56 -5.042 2.063 -2.578 1.00 0.81 C ATOM 819 O LEU A 56 -3.879 1.800 -2.264 1.00 0.91 O ATOM 820 CB LEU A 56 -6.048 0.322 -4.196 1.00 1.11 C ATOM 821 CG LEU A 56 -6.163 1.335 -5.362 1.00 1.13 C ATOM 822 CD1 LEU A 56 -4.785 1.811 -5.854 1.00 1.26 C ATOM 823 CD2 LEU A 56 -6.895 0.724 -6.566 1.00 1.45 C ATOM 0 H LEU A 56 -8.094 0.985 -3.122 1.00 0.88 H new ATOM 0 HA LEU A 56 -5.688 0.154 -2.064 1.00 0.91 H new ATOM 0 HB2 LEU A 56 -5.129 -0.248 -4.330 1.00 1.11 H new ATOM 0 HB3 LEU A 56 -6.875 -0.383 -4.275 1.00 1.11 H new ATOM 0 HG LEU A 56 -6.724 2.180 -4.963 1.00 1.13 H new ATOM 0 HD11 LEU A 56 -4.916 2.520 -6.672 1.00 1.26 H new ATOM 0 HD12 LEU A 56 -4.254 2.296 -5.035 1.00 1.26 H new ATOM 0 HD13 LEU A 56 -4.208 0.955 -6.204 1.00 1.26 H new ATOM 0 HD21 LEU A 56 -6.958 1.462 -7.366 1.00 1.45 H new ATOM 0 HD22 LEU A 56 -6.347 -0.149 -6.920 1.00 1.45 H new ATOM 0 HD23 LEU A 56 -7.900 0.425 -6.268 1.00 1.45 H new ATOM 835 N THR A 57 -5.480 3.316 -2.792 1.00 0.73 N ATOM 836 CA THR A 57 -4.707 4.554 -2.557 1.00 0.75 C ATOM 837 C THR A 57 -4.998 5.145 -1.183 1.00 0.68 C ATOM 838 O THR A 57 -4.051 5.519 -0.501 1.00 0.69 O ATOM 839 CB THR A 57 -4.990 5.580 -3.660 1.00 0.94 C ATOM 840 OG1 THR A 57 -4.490 5.039 -4.859 1.00 1.54 O ATOM 841 CG2 THR A 57 -4.288 6.923 -3.444 1.00 1.77 C ATOM 0 H THR A 57 -6.418 3.504 -3.147 1.00 0.73 H new ATOM 0 HA THR A 57 -3.649 4.295 -2.584 1.00 0.75 H new ATOM 0 HB THR A 57 -6.063 5.770 -3.669 1.00 0.94 H new ATOM 0 HG1 THR A 57 -4.653 5.666 -5.594 1.00 1.54 H new ATOM 0 HG21 THR A 57 -4.535 7.598 -4.263 1.00 1.77 H new ATOM 0 HG22 THR A 57 -4.619 7.359 -2.502 1.00 1.77 H new ATOM 0 HG23 THR A 57 -3.209 6.769 -3.413 1.00 1.77 H new ATOM 849 N ASP A 58 -6.261 5.177 -0.749 1.00 0.67 N ATOM 850 CA ASP A 58 -6.672 5.651 0.591 1.00 0.71 C ATOM 851 C ASP A 58 -5.786 5.052 1.701 1.00 0.63 C ATOM 852 O ASP A 58 -5.195 5.769 2.513 1.00 0.64 O ATOM 853 CB ASP A 58 -8.146 5.256 0.786 1.00 0.80 C ATOM 854 CG ASP A 58 -8.844 5.870 2.004 1.00 1.31 C ATOM 855 OD1 ASP A 58 -8.555 5.404 3.127 1.00 2.06 O ATOM 856 OD2 ASP A 58 -9.732 6.722 1.777 1.00 2.24 O ATOM 0 H ASP A 58 -7.046 4.870 -1.323 1.00 0.67 H new ATOM 0 HA ASP A 58 -6.554 6.733 0.657 1.00 0.71 H new ATOM 0 HB2 ASP A 58 -8.700 5.540 -0.109 1.00 0.80 H new ATOM 0 HB3 ASP A 58 -8.204 4.171 0.866 1.00 0.80 H new ATOM 861 N ALA A 59 -5.548 3.737 1.633 1.00 0.61 N ATOM 862 CA ALA A 59 -4.683 3.018 2.559 1.00 0.63 C ATOM 863 C ALA A 59 -3.182 3.358 2.469 1.00 0.64 C ATOM 864 O ALA A 59 -2.440 2.933 3.347 1.00 0.82 O ATOM 865 CB ALA A 59 -4.947 1.516 2.384 1.00 0.73 C ATOM 0 H ALA A 59 -5.961 3.138 0.918 1.00 0.61 H new ATOM 0 HA ALA A 59 -4.942 3.347 3.565 1.00 0.63 H new ATOM 0 HB1 ALA A 59 -4.311 0.953 3.067 1.00 0.73 H new ATOM 0 HB2 ALA A 59 -5.993 1.303 2.603 1.00 0.73 H new ATOM 0 HB3 ALA A 59 -4.724 1.225 1.358 1.00 0.73 H new ATOM 871 N VAL A 60 -2.730 4.111 1.465 1.00 0.56 N ATOM 872 CA VAL A 60 -1.383 4.717 1.377 1.00 0.58 C ATOM 873 C VAL A 60 -1.367 6.126 1.984 1.00 0.59 C ATOM 874 O VAL A 60 -0.410 6.472 2.677 1.00 0.72 O ATOM 875 CB VAL A 60 -0.851 4.644 -0.090 1.00 0.72 C ATOM 876 CG1 VAL A 60 -0.736 5.961 -0.870 1.00 2.22 C ATOM 877 CG2 VAL A 60 0.520 3.955 -0.151 1.00 2.23 C ATOM 0 H VAL A 60 -3.309 4.329 0.654 1.00 0.56 H new ATOM 0 HA VAL A 60 -0.684 4.140 1.982 1.00 0.58 H new ATOM 0 HB VAL A 60 -1.638 4.072 -0.581 1.00 0.72 H new ATOM 0 HG11 VAL A 60 -0.354 5.759 -1.871 1.00 2.22 H new ATOM 0 HG12 VAL A 60 -1.719 6.427 -0.944 1.00 2.22 H new ATOM 0 HG13 VAL A 60 -0.053 6.633 -0.350 1.00 2.22 H new ATOM 0 HG21 VAL A 60 0.864 3.919 -1.185 1.00 2.23 H new ATOM 0 HG22 VAL A 60 1.236 4.515 0.450 1.00 2.23 H new ATOM 0 HG23 VAL A 60 0.435 2.940 0.238 1.00 2.23 H new ATOM 887 N GLU A 61 -2.456 6.897 1.858 1.00 0.60 N ATOM 888 CA GLU A 61 -2.573 8.227 2.458 1.00 0.80 C ATOM 889 C GLU A 61 -2.696 8.134 3.989 1.00 0.88 C ATOM 890 O GLU A 61 -2.166 8.986 4.699 1.00 1.03 O ATOM 891 CB GLU A 61 -3.748 8.963 1.803 1.00 0.90 C ATOM 892 CG GLU A 61 -3.780 10.459 2.146 1.00 2.66 C ATOM 893 CD GLU A 61 -2.956 11.372 1.239 1.00 2.53 C ATOM 894 OE1 GLU A 61 -3.153 11.339 0.006 1.00 2.14 O ATOM 895 OE2 GLU A 61 -2.134 12.149 1.778 1.00 3.63 O ATOM 0 H GLU A 61 -3.283 6.611 1.334 1.00 0.60 H new ATOM 0 HA GLU A 61 -1.668 8.805 2.271 1.00 0.80 H new ATOM 0 HB2 GLU A 61 -3.687 8.844 0.721 1.00 0.90 H new ATOM 0 HB3 GLU A 61 -4.683 8.502 2.122 1.00 0.90 H new ATOM 0 HG2 GLU A 61 -4.817 10.795 2.121 1.00 2.66 H new ATOM 0 HG3 GLU A 61 -3.429 10.584 3.170 1.00 2.66 H new ATOM 902 N ARG A 62 -3.247 7.033 4.526 1.00 0.85 N ATOM 903 CA ARG A 62 -3.265 6.734 5.972 1.00 0.92 C ATOM 904 C ARG A 62 -1.888 6.835 6.654 1.00 0.95 C ATOM 905 O ARG A 62 -1.823 6.880 7.885 1.00 1.08 O ATOM 906 CB ARG A 62 -3.892 5.342 6.204 1.00 0.93 C ATOM 907 CG ARG A 62 -2.920 4.151 6.049 1.00 1.47 C ATOM 908 CD ARG A 62 -2.086 3.705 7.267 1.00 1.18 C ATOM 909 NE ARG A 62 -2.921 3.144 8.344 1.00 1.39 N ATOM 910 CZ ARG A 62 -3.464 3.815 9.357 1.00 1.15 C ATOM 911 NH1 ARG A 62 -3.216 5.089 9.590 1.00 1.69 N ATOM 912 NH2 ARG A 62 -4.304 3.194 10.154 1.00 1.99 N ATOM 0 H ARG A 62 -3.700 6.314 3.962 1.00 0.85 H new ATOM 0 HA ARG A 62 -3.875 7.506 6.442 1.00 0.92 H new ATOM 0 HB2 ARG A 62 -4.318 5.315 7.207 1.00 0.93 H new ATOM 0 HB3 ARG A 62 -4.717 5.211 5.504 1.00 0.93 H new ATOM 0 HG2 ARG A 62 -3.502 3.292 5.716 1.00 1.47 H new ATOM 0 HG3 ARG A 62 -2.225 4.395 5.246 1.00 1.47 H new ATOM 0 HD2 ARG A 62 -1.356 2.960 6.951 1.00 1.18 H new ATOM 0 HD3 ARG A 62 -1.525 4.557 7.652 1.00 1.18 H new ATOM 0 HE ARG A 62 -3.101 2.141 8.310 1.00 1.39 H new ATOM 0 HH11 ARG A 62 -2.582 5.605 8.980 1.00 1.69 H new ATOM 0 HH12 ARG A 62 -3.658 5.558 10.381 1.00 1.69 H new ATOM 0 HH21 ARG A 62 -4.531 2.213 9.991 1.00 1.99 H new ATOM 0 HH22 ARG A 62 -4.729 3.693 10.935 1.00 1.99 H new ATOM 926 N ALA A 63 -0.798 6.740 5.888 1.00 0.87 N ATOM 927 CA ALA A 63 0.585 6.815 6.358 1.00 0.98 C ATOM 928 C ALA A 63 1.227 8.213 6.205 1.00 1.04 C ATOM 929 O ALA A 63 2.372 8.391 6.621 1.00 1.21 O ATOM 930 CB ALA A 63 1.351 5.733 5.587 1.00 0.94 C ATOM 0 H ALA A 63 -0.860 6.603 4.879 1.00 0.87 H new ATOM 0 HA ALA A 63 0.621 6.643 7.434 1.00 0.98 H new ATOM 0 HB1 ALA A 63 2.397 5.738 5.895 1.00 0.94 H new ATOM 0 HB2 ALA A 63 0.915 4.757 5.800 1.00 0.94 H new ATOM 0 HB3 ALA A 63 1.287 5.934 4.518 1.00 0.94 H new ATOM 936 N GLY A 64 0.500 9.165 5.610 1.00 1.00 N ATOM 937 CA GLY A 64 0.976 10.462 5.130 1.00 1.04 C ATOM 938 C GLY A 64 1.435 10.399 3.673 1.00 0.86 C ATOM 939 O GLY A 64 2.010 11.367 3.177 1.00 0.94 O ATOM 0 H GLY A 64 -0.498 9.040 5.441 1.00 1.00 H new ATOM 0 HA2 GLY A 64 0.179 11.200 5.228 1.00 1.04 H new ATOM 0 HA3 GLY A 64 1.802 10.800 5.756 1.00 1.04 H new ATOM 943 N TYR A 65 1.267 9.249 3.004 1.00 0.74 N ATOM 944 CA TYR A 65 2.054 8.902 1.825 1.00 0.73 C ATOM 945 C TYR A 65 1.210 8.825 0.537 1.00 0.71 C ATOM 946 O TYR A 65 -0.015 8.758 0.575 1.00 0.93 O ATOM 947 CB TYR A 65 2.811 7.598 2.144 1.00 0.77 C ATOM 948 CG TYR A 65 3.826 7.628 3.295 1.00 0.87 C ATOM 949 CD1 TYR A 65 4.394 8.835 3.762 1.00 1.65 C ATOM 950 CD2 TYR A 65 4.233 6.417 3.895 1.00 2.07 C ATOM 951 CE1 TYR A 65 5.326 8.833 4.815 1.00 1.78 C ATOM 952 CE2 TYR A 65 5.190 6.402 4.930 1.00 2.22 C ATOM 953 CZ TYR A 65 5.731 7.618 5.403 1.00 1.35 C ATOM 954 OH TYR A 65 6.670 7.629 6.388 1.00 1.65 O ATOM 0 H TYR A 65 0.583 8.540 3.268 1.00 0.74 H new ATOM 0 HA TYR A 65 2.771 9.694 1.609 1.00 0.73 H new ATOM 0 HB2 TYR A 65 2.073 6.827 2.367 1.00 0.77 H new ATOM 0 HB3 TYR A 65 3.336 7.285 1.241 1.00 0.77 H new ATOM 0 HD1 TYR A 65 4.109 9.771 3.304 1.00 1.65 H new ATOM 0 HD2 TYR A 65 3.804 5.486 3.555 1.00 2.07 H new ATOM 0 HE1 TYR A 65 5.733 9.766 5.175 1.00 1.78 H new ATOM 0 HE2 TYR A 65 5.508 5.464 5.360 1.00 2.22 H new ATOM 0 HH TYR A 65 6.839 6.712 6.689 1.00 1.65 H new ATOM 964 N HIS A 66 1.867 8.848 -0.626 1.00 0.61 N ATOM 965 CA HIS A 66 1.252 8.798 -1.967 1.00 0.58 C ATOM 966 C HIS A 66 1.895 7.711 -2.842 1.00 0.57 C ATOM 967 O HIS A 66 2.818 7.013 -2.431 1.00 0.69 O ATOM 968 CB HIS A 66 1.279 10.203 -2.618 1.00 0.74 C ATOM 969 CG HIS A 66 0.908 11.299 -1.653 1.00 1.09 C ATOM 970 ND1 HIS A 66 1.787 12.168 -1.031 1.00 2.55 N ATOM 971 CD2 HIS A 66 -0.298 11.416 -1.030 1.00 1.51 C ATOM 972 CE1 HIS A 66 1.132 12.773 -0.021 1.00 3.12 C ATOM 973 NE2 HIS A 66 -0.145 12.337 -0.019 1.00 2.23 N ATOM 0 H HIS A 66 2.885 8.904 -0.667 1.00 0.61 H new ATOM 0 HA HIS A 66 0.205 8.511 -1.867 1.00 0.58 H new ATOM 0 HB2 HIS A 66 2.276 10.396 -3.015 1.00 0.74 H new ATOM 0 HB3 HIS A 66 0.591 10.220 -3.463 1.00 0.74 H new ATOM 0 HD2 HIS A 66 -1.204 10.885 -1.282 1.00 1.51 H new ATOM 0 HE1 HIS A 66 1.557 13.486 0.670 1.00 3.12 H new ATOM 0 HE2 HIS A 66 -0.876 12.640 0.625 1.00 2.23 H new ATOM 982 N ALA A 67 1.420 7.551 -4.076 1.00 0.76 N ATOM 983 CA ALA A 67 1.864 6.519 -5.017 1.00 0.86 C ATOM 984 C ALA A 67 2.792 7.100 -6.100 1.00 0.97 C ATOM 985 O ALA A 67 2.381 7.995 -6.837 1.00 1.18 O ATOM 986 CB ALA A 67 0.588 5.930 -5.636 1.00 1.04 C ATOM 0 H ALA A 67 0.693 8.153 -4.462 1.00 0.76 H new ATOM 0 HA ALA A 67 2.448 5.752 -4.507 1.00 0.86 H new ATOM 0 HB1 ALA A 67 0.856 5.151 -6.350 1.00 1.04 H new ATOM 0 HB2 ALA A 67 -0.034 5.503 -4.850 1.00 1.04 H new ATOM 0 HB3 ALA A 67 0.035 6.717 -6.149 1.00 1.04 H new ATOM 992 N ARG A 68 4.018 6.572 -6.240 1.00 0.98 N ATOM 993 CA ARG A 68 4.923 6.897 -7.356 1.00 1.07 C ATOM 994 C ARG A 68 5.163 5.672 -8.240 1.00 1.07 C ATOM 995 O ARG A 68 5.829 4.712 -7.862 1.00 1.32 O ATOM 996 CB ARG A 68 6.235 7.555 -6.890 1.00 1.26 C ATOM 997 CG ARG A 68 7.020 6.848 -5.770 1.00 1.62 C ATOM 998 CD ARG A 68 8.376 7.494 -5.440 1.00 2.74 C ATOM 999 NE ARG A 68 9.300 7.398 -6.585 1.00 2.63 N ATOM 1000 CZ ARG A 68 10.573 7.784 -6.609 1.00 3.30 C ATOM 1001 NH1 ARG A 68 11.200 8.241 -5.549 1.00 3.94 N ATOM 1002 NH2 ARG A 68 11.253 7.708 -7.736 1.00 4.04 N ATOM 0 H ARG A 68 4.413 5.903 -5.578 1.00 0.98 H new ATOM 0 HA ARG A 68 4.424 7.649 -7.967 1.00 1.07 H new ATOM 0 HB2 ARG A 68 6.892 7.648 -7.755 1.00 1.26 H new ATOM 0 HB3 ARG A 68 6.005 8.566 -6.554 1.00 1.26 H new ATOM 0 HG2 ARG A 68 6.409 6.834 -4.868 1.00 1.62 H new ATOM 0 HG3 ARG A 68 7.186 5.810 -6.059 1.00 1.62 H new ATOM 0 HD2 ARG A 68 8.229 8.541 -5.174 1.00 2.74 H new ATOM 0 HD3 ARG A 68 8.815 7.003 -4.572 1.00 2.74 H new ATOM 0 HE ARG A 68 8.926 6.996 -7.444 1.00 2.63 H new ATOM 0 HH11 ARG A 68 10.710 8.312 -4.657 1.00 3.94 H new ATOM 0 HH12 ARG A 68 12.177 8.525 -5.617 1.00 3.94 H new ATOM 0 HH21 ARG A 68 10.803 7.355 -8.581 1.00 4.04 H new ATOM 0 HH22 ARG A 68 12.229 8.002 -7.763 1.00 4.04 H new ATOM 1016 N VAL A 69 4.624 5.713 -9.454 1.00 0.94 N ATOM 1017 CA VAL A 69 4.713 4.583 -10.390 1.00 0.99 C ATOM 1018 C VAL A 69 6.167 4.323 -10.782 1.00 1.12 C ATOM 1019 O VAL A 69 6.921 5.261 -11.043 1.00 1.38 O ATOM 1020 CB VAL A 69 3.840 4.789 -11.649 1.00 1.29 C ATOM 1021 CG1 VAL A 69 3.818 3.545 -12.551 1.00 2.28 C ATOM 1022 CG2 VAL A 69 2.393 5.144 -11.264 1.00 2.34 C ATOM 0 H VAL A 69 4.117 6.519 -9.820 1.00 0.94 H new ATOM 0 HA VAL A 69 4.323 3.708 -9.871 1.00 0.99 H new ATOM 0 HB VAL A 69 4.291 5.613 -12.202 1.00 1.29 H new ATOM 0 HG11 VAL A 69 3.192 3.738 -13.422 1.00 2.28 H new ATOM 0 HG12 VAL A 69 4.832 3.314 -12.877 1.00 2.28 H new ATOM 0 HG13 VAL A 69 3.414 2.699 -11.995 1.00 2.28 H new ATOM 0 HG21 VAL A 69 1.800 5.284 -12.168 1.00 2.34 H new ATOM 0 HG22 VAL A 69 1.966 4.336 -10.671 1.00 2.34 H new ATOM 0 HG23 VAL A 69 2.387 6.065 -10.680 1.00 2.34 H new ATOM 1032 N LEU A 70 6.550 3.044 -10.793 1.00 1.09 N ATOM 1033 CA LEU A 70 7.921 2.621 -11.053 1.00 1.36 C ATOM 1034 C LEU A 70 8.169 2.363 -12.540 1.00 1.46 C ATOM 1035 O LEU A 70 7.241 2.078 -13.294 1.00 1.45 O ATOM 1036 CB LEU A 70 8.285 1.446 -10.125 1.00 1.39 C ATOM 1037 CG LEU A 70 7.595 0.072 -10.314 1.00 1.20 C ATOM 1038 CD1 LEU A 70 8.086 -0.716 -11.541 1.00 1.31 C ATOM 1039 CD2 LEU A 70 7.878 -0.781 -9.065 1.00 1.54 C ATOM 0 H LEU A 70 5.909 2.269 -10.620 1.00 1.09 H new ATOM 0 HA LEU A 70 8.607 3.433 -10.810 1.00 1.36 H new ATOM 0 HB2 LEU A 70 9.360 1.285 -10.211 1.00 1.39 H new ATOM 0 HB3 LEU A 70 8.092 1.768 -9.102 1.00 1.39 H new ATOM 0 HG LEU A 70 6.535 0.273 -10.466 1.00 1.20 H new ATOM 0 HD11 LEU A 70 7.553 -1.665 -11.601 1.00 1.31 H new ATOM 0 HD12 LEU A 70 7.898 -0.137 -12.445 1.00 1.31 H new ATOM 0 HD13 LEU A 70 9.155 -0.905 -11.448 1.00 1.31 H new ATOM 0 HD21 LEU A 70 7.402 -1.755 -9.174 1.00 1.54 H new ATOM 0 HD22 LEU A 70 8.954 -0.914 -8.951 1.00 1.54 H new ATOM 0 HD23 LEU A 70 7.479 -0.279 -8.184 1.00 1.54 H new ATOM 1051 N LYS A 71 9.430 2.443 -12.971 1.00 2.24 N ATOM 1052 CA LYS A 71 9.836 2.123 -14.343 1.00 2.58 C ATOM 1053 C LYS A 71 11.252 1.533 -14.400 1.00 3.68 C ATOM 1054 O LYS A 71 12.223 2.179 -14.016 1.00 4.69 O ATOM 1055 CB LYS A 71 9.740 3.366 -15.255 1.00 3.34 C ATOM 1056 CG LYS A 71 8.345 3.554 -15.877 1.00 3.46 C ATOM 1057 CD LYS A 71 8.375 4.593 -17.007 1.00 4.75 C ATOM 1058 CE LYS A 71 7.136 4.456 -17.904 1.00 5.09 C ATOM 1059 NZ LYS A 71 7.399 4.953 -19.278 1.00 6.10 N ATOM 0 H LYS A 71 10.204 2.734 -12.374 1.00 2.24 H new ATOM 0 HA LYS A 71 9.143 1.365 -14.709 1.00 2.58 H new ATOM 0 HB2 LYS A 71 9.996 4.254 -14.677 1.00 3.34 H new ATOM 0 HB3 LYS A 71 10.478 3.282 -16.053 1.00 3.34 H new ATOM 0 HG2 LYS A 71 7.986 2.601 -16.265 1.00 3.46 H new ATOM 0 HG3 LYS A 71 7.641 3.870 -15.108 1.00 3.46 H new ATOM 0 HD2 LYS A 71 8.414 5.597 -16.584 1.00 4.75 H new ATOM 0 HD3 LYS A 71 9.278 4.463 -17.603 1.00 4.75 H new ATOM 0 HE2 LYS A 71 6.831 3.410 -17.947 1.00 5.09 H new ATOM 0 HE3 LYS A 71 6.307 5.013 -17.468 1.00 5.09 H new ATOM 0 HZ1 LYS A 71 6.547 4.830 -19.861 1.00 6.10 H new ATOM 0 HZ2 LYS A 71 7.650 5.962 -19.240 1.00 6.10 H new ATOM 0 HZ3 LYS A 71 8.185 4.416 -19.697 1.00 6.10 H new ATOM 1073 N GLN A 72 11.355 0.322 -14.949 1.00 3.91 N ATOM 1074 CA GLN A 72 12.589 -0.189 -15.545 1.00 5.05 C ATOM 1075 C GLN A 72 12.571 0.214 -17.036 1.00 4.76 C ATOM 1076 O GLN A 72 12.531 1.412 -17.297 1.00 4.68 O ATOM 1077 CB GLN A 72 12.672 -1.696 -15.249 1.00 5.85 C ATOM 1078 CG GLN A 72 14.051 -2.304 -15.540 1.00 7.05 C ATOM 1079 CD GLN A 72 13.948 -3.823 -15.565 1.00 7.86 C ATOM 1080 OE1 GLN A 72 13.465 -4.397 -16.523 1.00 8.03 O ATOM 1081 NE2 GLN A 72 14.319 -4.519 -14.511 1.00 8.79 N ATOM 0 H GLN A 72 10.578 -0.337 -14.993 1.00 3.91 H new ATOM 0 HA GLN A 72 13.504 0.233 -15.128 1.00 5.05 H new ATOM 0 HB2 GLN A 72 12.423 -1.866 -14.202 1.00 5.85 H new ATOM 0 HB3 GLN A 72 11.922 -2.217 -15.844 1.00 5.85 H new ATOM 0 HG2 GLN A 72 14.425 -1.940 -16.497 1.00 7.05 H new ATOM 0 HG3 GLN A 72 14.765 -1.991 -14.778 1.00 7.05 H new ATOM 0 HE21 GLN A 72 14.725 -4.045 -13.704 1.00 8.79 H new ATOM 0 HE22 GLN A 72 14.201 -5.532 -14.501 1.00 8.79 H new ATOM 1090 N GLN A 73 12.540 -0.748 -17.975 1.00 5.16 N ATOM 1091 CA GLN A 73 12.502 -0.661 -19.456 1.00 5.13 C ATOM 1092 C GLN A 73 13.864 -1.113 -20.020 1.00 6.55 C ATOM 1093 O GLN A 73 14.853 -1.145 -19.293 1.00 7.52 O ATOM 1094 CB GLN A 73 12.082 0.714 -20.036 1.00 4.88 C ATOM 1095 CG GLN A 73 10.656 1.174 -19.636 1.00 5.03 C ATOM 1096 CD GLN A 73 10.492 2.698 -19.555 1.00 6.24 C ATOM 1097 OE1 GLN A 73 9.539 3.288 -20.052 1.00 6.44 O ATOM 1098 NE2 GLN A 73 11.375 3.399 -18.877 1.00 7.76 N ATOM 0 H GLN A 73 12.541 -1.726 -17.684 1.00 5.16 H new ATOM 0 HA GLN A 73 11.704 -1.330 -19.779 1.00 5.13 H new ATOM 0 HB2 GLN A 73 12.798 1.467 -19.707 1.00 4.88 H new ATOM 0 HB3 GLN A 73 12.144 0.669 -21.123 1.00 4.88 H new ATOM 0 HG2 GLN A 73 9.942 0.780 -20.359 1.00 5.03 H new ATOM 0 HG3 GLN A 73 10.403 0.740 -18.669 1.00 5.03 H new ATOM 0 HE21 GLN A 73 12.178 2.934 -18.453 1.00 7.76 H new ATOM 0 HE22 GLN A 73 11.257 4.407 -18.776 1.00 7.76 H new TER 1107 GLN A 73