USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 519 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 37 GLN : amide:sc= -0.0692 K(o=1,f=0.37) USER MOD Set 1.2: A 41 THR OG1 : rot 120:sc= 1.09 USER MOD Set 2.1: A 2 ASN : amide:sc= 1.01 K(o=3,f=-8.5!) USER MOD Set 2.2: A 25 LYS NZ :NH3+ -177:sc= 1.99 (180deg=0.815) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -103:sc= 0.053 (180deg=-0.00177) USER MOD Single : A 6 THR OG1 : rot -87:sc= 0.785 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 74:sc= 1.24 USER MOD Single : A 12 LYS NZ :NH3+ 168:sc= 1.29 (180deg=1.16) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -1.37 K(o=-1.4,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0178 USER MOD Single : A 23 GLN : amide:sc= -1.42! K(o=-1.4!,f=-0.082) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 34 GLN : amide:sc= -2.06! K(o=-2.1!,f=-0.57) USER MOD Single : A 47 GLN : amide:sc= -1.96! K(o=-2!,f=-0.13) USER MOD Single : A 54 GLN : amide:sc= -0.0209 X(o=-0.021,f=-0.059) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 58 HIS : no HD1:sc= -0.017 X(o=-0.017,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.0264 X(o=-0.026,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0772 X(o=-0.077,f=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.481 8.113 -6.146 1.00 0.00 N ATOM 2 CA MET A 1 -9.539 9.154 -5.680 1.00 0.00 C ATOM 3 C MET A 1 -8.322 8.513 -5.044 1.00 0.00 C ATOM 4 O MET A 1 -8.406 7.413 -4.499 1.00 0.00 O ATOM 5 CB MET A 1 -10.217 10.079 -4.668 1.00 0.00 C ATOM 6 CG MET A 1 -11.204 11.051 -5.287 1.00 0.00 C ATOM 7 SD MET A 1 -10.406 12.245 -6.377 1.00 0.00 S ATOM 8 CE MET A 1 -11.803 13.275 -6.822 1.00 0.00 C ATOM 0 H1 MET A 1 -10.403 8.011 -7.178 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.251 7.207 -5.690 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.453 8.388 -5.898 1.00 0.00 H new ATOM 0 HA MET A 1 -9.227 9.742 -6.543 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.737 9.472 -3.927 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.451 10.644 -4.137 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.953 10.494 -5.850 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.731 11.583 -4.495 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.472 14.065 -7.496 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.560 12.667 -7.318 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.228 13.720 -5.922 1.00 0.00 H new ATOM 20 N ASN A 2 -7.194 9.200 -5.120 1.00 0.00 N ATOM 21 CA ASN A 2 -5.960 8.708 -4.526 1.00 0.00 C ATOM 22 C ASN A 2 -5.784 9.301 -3.140 1.00 0.00 C ATOM 23 O ASN A 2 -6.169 10.448 -2.895 1.00 0.00 O ATOM 24 CB ASN A 2 -4.753 9.064 -5.398 1.00 0.00 C ATOM 25 CG ASN A 2 -4.845 8.488 -6.797 1.00 0.00 C ATOM 26 OD1 ASN A 2 -4.445 7.350 -7.041 1.00 0.00 O ATOM 27 ND2 ASN A 2 -5.357 9.272 -7.730 1.00 0.00 N ATOM 0 H ASN A 2 -7.107 10.102 -5.588 1.00 0.00 H new ATOM 0 HA ASN A 2 -6.024 7.622 -4.453 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.665 10.149 -5.462 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.845 8.698 -4.919 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.431 8.939 -8.691 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.678 10.210 -7.489 1.00 0.00 H new ATOM 34 N LEU A 3 -5.210 8.526 -2.237 1.00 0.00 N ATOM 35 CA LEU A 3 -4.971 9.003 -0.884 1.00 0.00 C ATOM 36 C LEU A 3 -3.605 9.670 -0.789 1.00 0.00 C ATOM 37 O LEU A 3 -2.864 9.733 -1.770 1.00 0.00 O ATOM 38 CB LEU A 3 -5.079 7.850 0.115 1.00 0.00 C ATOM 39 CG LEU A 3 -6.471 7.223 0.222 1.00 0.00 C ATOM 40 CD1 LEU A 3 -6.481 6.124 1.268 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.508 8.282 0.560 1.00 0.00 C ATOM 0 H LEU A 3 -4.902 7.570 -2.413 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.732 9.743 -0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.367 7.075 -0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.782 8.212 1.099 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.724 6.785 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.479 5.690 1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.765 5.350 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.206 6.541 2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.492 7.818 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.256 8.747 1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.521 9.041 -0.222 1.00 0.00 H new ATOM 53 N ARG A 4 -3.276 10.182 0.387 1.00 0.00 N ATOM 54 CA ARG A 4 -2.001 10.846 0.591 1.00 0.00 C ATOM 55 C ARG A 4 -0.913 9.813 0.844 1.00 0.00 C ATOM 56 O ARG A 4 -0.877 9.182 1.901 1.00 0.00 O ATOM 57 CB ARG A 4 -2.076 11.823 1.766 1.00 0.00 C ATOM 58 CG ARG A 4 -0.839 12.692 1.904 1.00 0.00 C ATOM 59 CD ARG A 4 -0.909 13.577 3.136 1.00 0.00 C ATOM 60 NE ARG A 4 0.202 14.523 3.189 1.00 0.00 N ATOM 61 CZ ARG A 4 1.095 14.586 4.172 1.00 0.00 C ATOM 62 NH1 ARG A 4 1.030 13.748 5.200 1.00 0.00 N ATOM 63 NH2 ARG A 4 2.064 15.487 4.121 1.00 0.00 N ATOM 0 H ARG A 4 -3.874 10.150 1.213 1.00 0.00 H new ATOM 0 HA ARG A 4 -1.760 11.411 -0.310 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.949 12.463 1.642 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -2.221 11.261 2.688 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.046 12.059 1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -0.730 13.313 1.015 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.852 14.124 3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.900 12.955 4.031 1.00 0.00 H new ATOM 0 HE ARG A 4 0.300 15.182 2.417 1.00 0.00 H new ATOM 0 HH11 ARG A 4 0.290 13.047 5.241 1.00 0.00 H new ATOM 0 HH12 ARG A 4 1.720 13.805 5.949 1.00 0.00 H new ATOM 0 HH21 ARG A 4 2.123 16.129 3.330 1.00 0.00 H new ATOM 0 HH22 ARG A 4 2.752 15.540 4.873 1.00 0.00 H new ATOM 77 N TRP A 5 -0.046 9.627 -0.136 1.00 0.00 N ATOM 78 CA TRP A 5 1.043 8.675 -0.012 1.00 0.00 C ATOM 79 C TRP A 5 2.280 9.340 0.573 1.00 0.00 C ATOM 80 O TRP A 5 2.768 10.343 0.048 1.00 0.00 O ATOM 81 CB TRP A 5 1.376 8.049 -1.373 1.00 0.00 C ATOM 82 CG TRP A 5 0.326 7.098 -1.870 1.00 0.00 C ATOM 83 CD1 TRP A 5 -0.918 7.409 -2.341 1.00 0.00 C ATOM 84 CD2 TRP A 5 0.437 5.675 -1.942 1.00 0.00 C ATOM 85 NE1 TRP A 5 -1.592 6.260 -2.685 1.00 0.00 N ATOM 86 CE2 TRP A 5 -0.779 5.184 -2.452 1.00 0.00 C ATOM 87 CE3 TRP A 5 1.448 4.765 -1.616 1.00 0.00 C ATOM 88 CZ2 TRP A 5 -1.004 3.827 -2.646 1.00 0.00 C ATOM 89 CZ3 TRP A 5 1.219 3.421 -1.811 1.00 0.00 C ATOM 90 CH2 TRP A 5 0.001 2.963 -2.320 1.00 0.00 C ATOM 0 H TRP A 5 -0.075 10.123 -1.027 1.00 0.00 H new ATOM 0 HA TRP A 5 0.720 7.885 0.666 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.510 8.844 -2.106 1.00 0.00 H new ATOM 0 HB3 TRP A 5 2.326 7.521 -1.298 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -1.314 8.410 -2.430 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.542 6.217 -3.053 1.00 0.00 H new ATOM 0 HE3 TRP A 5 2.391 5.110 -1.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.943 3.468 -3.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 1.994 2.709 -1.566 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.148 1.902 -2.458 1.00 0.00 H new ATOM 101 N THR A 6 2.770 8.778 1.670 1.00 0.00 N ATOM 102 CA THR A 6 3.999 9.247 2.286 1.00 0.00 C ATOM 103 C THR A 6 5.190 8.889 1.400 1.00 0.00 C ATOM 104 O THR A 6 5.084 8.011 0.542 1.00 0.00 O ATOM 105 CB THR A 6 4.195 8.628 3.687 1.00 0.00 C ATOM 106 OG1 THR A 6 4.066 7.201 3.619 1.00 0.00 O ATOM 107 CG2 THR A 6 3.181 9.177 4.677 1.00 0.00 C ATOM 0 H THR A 6 2.331 7.993 2.152 1.00 0.00 H new ATOM 0 HA THR A 6 3.930 10.329 2.396 1.00 0.00 H new ATOM 0 HB THR A 6 5.195 8.891 4.030 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.122 6.953 3.711 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.344 8.723 5.654 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.297 10.258 4.755 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.173 8.945 4.332 1.00 0.00 H new ATOM 115 N SER A 7 6.319 9.557 1.606 1.00 0.00 N ATOM 116 CA SER A 7 7.512 9.289 0.812 1.00 0.00 C ATOM 117 C SER A 7 7.954 7.840 1.009 1.00 0.00 C ATOM 118 O SER A 7 8.389 7.173 0.066 1.00 0.00 O ATOM 119 CB SER A 7 8.635 10.255 1.205 1.00 0.00 C ATOM 120 OG SER A 7 9.747 10.140 0.332 1.00 0.00 O ATOM 0 H SER A 7 6.433 10.284 2.312 1.00 0.00 H new ATOM 0 HA SER A 7 7.281 9.441 -0.242 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.260 11.278 1.186 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.951 10.051 2.228 1.00 0.00 H new ATOM 0 HG SER A 7 10.446 10.770 0.608 1.00 0.00 H new ATOM 126 N GLU A 8 7.803 7.353 2.235 1.00 0.00 N ATOM 127 CA GLU A 8 8.122 5.974 2.562 1.00 0.00 C ATOM 128 C GLU A 8 7.179 5.027 1.832 1.00 0.00 C ATOM 129 O GLU A 8 7.604 4.023 1.266 1.00 0.00 O ATOM 130 CB GLU A 8 8.015 5.738 4.071 1.00 0.00 C ATOM 131 CG GLU A 8 9.034 6.498 4.911 1.00 0.00 C ATOM 132 CD GLU A 8 8.838 7.999 4.880 1.00 0.00 C ATOM 133 OE1 GLU A 8 7.675 8.455 4.823 1.00 0.00 O ATOM 134 OE2 GLU A 8 9.847 8.731 4.920 1.00 0.00 O ATOM 0 H GLU A 8 7.458 7.901 3.023 1.00 0.00 H new ATOM 0 HA GLU A 8 9.146 5.779 2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.014 6.019 4.398 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.127 4.672 4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.974 6.152 5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.037 6.262 4.554 1.00 0.00 H new ATOM 141 N ALA A 9 5.893 5.364 1.841 1.00 0.00 N ATOM 142 CA ALA A 9 4.882 4.557 1.171 1.00 0.00 C ATOM 143 C ALA A 9 5.156 4.478 -0.325 1.00 0.00 C ATOM 144 O ALA A 9 5.089 3.406 -0.917 1.00 0.00 O ATOM 145 CB ALA A 9 3.494 5.117 1.423 1.00 0.00 C ATOM 0 H ALA A 9 5.527 6.194 2.307 1.00 0.00 H new ATOM 0 HA ALA A 9 4.929 3.549 1.583 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.754 4.499 0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.291 5.118 2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.439 6.137 1.043 1.00 0.00 H new ATOM 151 N LYS A 10 5.463 5.622 -0.925 1.00 0.00 N ATOM 152 CA LYS A 10 5.828 5.679 -2.338 1.00 0.00 C ATOM 153 C LYS A 10 7.041 4.791 -2.617 1.00 0.00 C ATOM 154 O LYS A 10 7.083 4.076 -3.621 1.00 0.00 O ATOM 155 CB LYS A 10 6.116 7.126 -2.746 1.00 0.00 C ATOM 156 CG LYS A 10 4.905 8.035 -2.613 1.00 0.00 C ATOM 157 CD LYS A 10 5.281 9.508 -2.695 1.00 0.00 C ATOM 158 CE LYS A 10 5.812 9.899 -4.066 1.00 0.00 C ATOM 159 NZ LYS A 10 6.111 11.354 -4.139 1.00 0.00 N ATOM 0 H LYS A 10 5.467 6.527 -0.454 1.00 0.00 H new ATOM 0 HA LYS A 10 4.992 5.307 -2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.926 7.517 -2.130 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.464 7.144 -3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.188 7.800 -3.400 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.409 7.841 -1.662 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.407 10.116 -2.461 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.035 9.730 -1.940 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.715 9.329 -4.284 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.079 9.638 -4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.471 11.587 -5.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.243 11.896 -3.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.829 11.597 -3.427 1.00 0.00 H new ATOM 173 N THR A 11 8.009 4.822 -1.709 1.00 0.00 N ATOM 174 CA THR A 11 9.196 3.988 -1.827 1.00 0.00 C ATOM 175 C THR A 11 8.825 2.506 -1.749 1.00 0.00 C ATOM 176 O THR A 11 9.236 1.706 -2.590 1.00 0.00 O ATOM 177 CB THR A 11 10.224 4.321 -0.722 1.00 0.00 C ATOM 178 OG1 THR A 11 10.508 5.728 -0.730 1.00 0.00 O ATOM 179 CG2 THR A 11 11.516 3.540 -0.919 1.00 0.00 C ATOM 0 H THR A 11 7.994 5.418 -0.881 1.00 0.00 H new ATOM 0 HA THR A 11 9.646 4.195 -2.798 1.00 0.00 H new ATOM 0 HB THR A 11 9.793 4.037 0.238 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.750 6.217 -0.347 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.220 3.795 -0.127 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.304 2.471 -0.886 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.951 3.794 -1.886 1.00 0.00 H new ATOM 187 N LYS A 12 8.025 2.158 -0.748 1.00 0.00 N ATOM 188 CA LYS A 12 7.582 0.781 -0.548 1.00 0.00 C ATOM 189 C LYS A 12 6.713 0.296 -1.703 1.00 0.00 C ATOM 190 O LYS A 12 6.778 -0.871 -2.088 1.00 0.00 O ATOM 191 CB LYS A 12 6.815 0.655 0.770 1.00 0.00 C ATOM 192 CG LYS A 12 7.702 0.696 1.997 1.00 0.00 C ATOM 193 CD LYS A 12 8.571 -0.548 2.092 1.00 0.00 C ATOM 194 CE LYS A 12 9.422 -0.527 3.348 1.00 0.00 C ATOM 195 NZ LYS A 12 10.121 -1.819 3.578 1.00 0.00 N ATOM 0 H LYS A 12 7.667 2.816 -0.056 1.00 0.00 H new ATOM 0 HA LYS A 12 8.472 0.152 -0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.085 1.462 0.834 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.257 -0.281 0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.335 1.583 1.961 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.085 0.781 2.892 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.940 -1.437 2.092 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.214 -0.614 1.215 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.158 0.273 3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.792 -0.300 4.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.839 -1.698 4.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.432 -2.538 3.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.581 -2.126 2.697 1.00 0.00 H new ATOM 209 N LEU A 13 5.908 1.191 -2.255 1.00 0.00 N ATOM 210 CA LEU A 13 5.058 0.857 -3.391 1.00 0.00 C ATOM 211 C LEU A 13 5.915 0.487 -4.598 1.00 0.00 C ATOM 212 O LEU A 13 5.541 -0.361 -5.406 1.00 0.00 O ATOM 213 CB LEU A 13 4.138 2.032 -3.735 1.00 0.00 C ATOM 214 CG LEU A 13 3.114 1.758 -4.838 1.00 0.00 C ATOM 215 CD1 LEU A 13 2.178 0.629 -4.433 1.00 0.00 C ATOM 216 CD2 LEU A 13 2.322 3.015 -5.163 1.00 0.00 C ATOM 0 H LEU A 13 5.824 2.156 -1.935 1.00 0.00 H new ATOM 0 HA LEU A 13 4.440 0.000 -3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.605 2.331 -2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.754 2.879 -4.036 1.00 0.00 H new ATOM 0 HG LEU A 13 3.654 1.453 -5.734 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.457 0.450 -5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.757 -0.278 -4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.648 0.905 -3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.600 2.797 -5.950 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.795 3.354 -4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.002 3.796 -5.502 1.00 0.00 H new ATOM 228 N LYS A 14 7.084 1.114 -4.695 1.00 0.00 N ATOM 229 CA LYS A 14 8.029 0.820 -5.767 1.00 0.00 C ATOM 230 C LYS A 14 8.764 -0.497 -5.512 1.00 0.00 C ATOM 231 O LYS A 14 9.549 -0.953 -6.343 1.00 0.00 O ATOM 232 CB LYS A 14 9.029 1.968 -5.925 1.00 0.00 C ATOM 233 CG LYS A 14 8.394 3.252 -6.434 1.00 0.00 C ATOM 234 CD LYS A 14 9.355 4.427 -6.350 1.00 0.00 C ATOM 235 CE LYS A 14 8.717 5.714 -6.856 1.00 0.00 C ATOM 236 NZ LYS A 14 8.601 5.740 -8.337 1.00 0.00 N ATOM 0 H LYS A 14 7.400 1.831 -4.042 1.00 0.00 H new ATOM 0 HA LYS A 14 7.465 0.715 -6.694 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.504 2.162 -4.963 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.817 1.662 -6.614 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.076 3.116 -7.468 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.499 3.471 -5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.676 4.562 -5.317 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.248 4.209 -6.935 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.727 5.825 -6.414 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.311 6.566 -6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.161 6.634 -8.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.547 5.661 -8.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.013 4.943 -8.653 1.00 0.00 H new ATOM 250 N ASN A 15 8.514 -1.108 -4.355 1.00 0.00 N ATOM 251 CA ASN A 15 9.067 -2.427 -4.053 1.00 0.00 C ATOM 252 C ASN A 15 8.096 -3.505 -4.512 1.00 0.00 C ATOM 253 O ASN A 15 8.404 -4.700 -4.483 1.00 0.00 O ATOM 254 CB ASN A 15 9.354 -2.607 -2.553 1.00 0.00 C ATOM 255 CG ASN A 15 10.587 -1.863 -2.065 1.00 0.00 C ATOM 256 OD1 ASN A 15 11.351 -2.379 -1.249 1.00 0.00 O ATOM 257 ND2 ASN A 15 10.767 -0.632 -2.509 1.00 0.00 N ATOM 0 H ASN A 15 7.935 -0.713 -3.614 1.00 0.00 H new ATOM 0 HA ASN A 15 10.014 -2.515 -4.586 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.488 -2.267 -1.985 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.476 -3.669 -2.342 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.557 -0.080 -2.176 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.116 -0.233 -3.185 1.00 0.00 H new ATOM 264 N ILE A 16 6.911 -3.077 -4.915 1.00 0.00 N ATOM 265 CA ILE A 16 5.890 -3.991 -5.392 1.00 0.00 C ATOM 266 C ILE A 16 5.907 -4.049 -6.917 1.00 0.00 C ATOM 267 O ILE A 16 5.823 -3.012 -7.579 1.00 0.00 O ATOM 268 CB ILE A 16 4.488 -3.564 -4.901 1.00 0.00 C ATOM 269 CG1 ILE A 16 4.494 -3.389 -3.377 1.00 0.00 C ATOM 270 CG2 ILE A 16 3.436 -4.588 -5.317 1.00 0.00 C ATOM 271 CD1 ILE A 16 3.184 -2.884 -2.809 1.00 0.00 C ATOM 0 H ILE A 16 6.633 -2.096 -4.921 1.00 0.00 H new ATOM 0 HA ILE A 16 6.109 -4.980 -4.990 1.00 0.00 H new ATOM 0 HB ILE A 16 4.234 -2.610 -5.363 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.735 -4.345 -2.913 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.288 -2.694 -3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.456 -4.268 -4.961 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.418 -4.671 -6.404 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.681 -5.558 -4.883 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.270 -2.787 -1.727 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.950 -1.912 -3.243 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.388 -3.589 -3.048 1.00 0.00 H new ATOM 283 N PRO A 17 6.043 -5.261 -7.489 1.00 0.00 N ATOM 284 CA PRO A 17 6.049 -5.459 -8.945 1.00 0.00 C ATOM 285 C PRO A 17 4.838 -4.810 -9.611 1.00 0.00 C ATOM 286 O PRO A 17 3.716 -4.982 -9.146 1.00 0.00 O ATOM 287 CB PRO A 17 5.987 -6.982 -9.092 1.00 0.00 C ATOM 288 CG PRO A 17 6.583 -7.508 -7.833 1.00 0.00 C ATOM 289 CD PRO A 17 6.196 -6.532 -6.759 1.00 0.00 C ATOM 0 HA PRO A 17 6.919 -5.007 -9.421 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.960 -7.326 -9.218 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.546 -7.319 -9.965 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.206 -8.506 -7.609 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.667 -7.588 -7.917 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.270 -6.825 -6.265 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.961 -6.461 -5.986 1.00 0.00 H new ATOM 297 N PHE A 18 5.069 -4.081 -10.703 1.00 0.00 N ATOM 298 CA PHE A 18 4.017 -3.293 -11.350 1.00 0.00 C ATOM 299 C PHE A 18 2.824 -4.158 -11.762 1.00 0.00 C ATOM 300 O PHE A 18 1.695 -3.674 -11.829 1.00 0.00 O ATOM 301 CB PHE A 18 4.575 -2.526 -12.563 1.00 0.00 C ATOM 302 CG PHE A 18 5.163 -3.395 -13.641 1.00 0.00 C ATOM 303 CD1 PHE A 18 4.374 -3.869 -14.678 1.00 0.00 C ATOM 304 CD2 PHE A 18 6.509 -3.729 -13.626 1.00 0.00 C ATOM 305 CE1 PHE A 18 4.911 -4.662 -15.671 1.00 0.00 C ATOM 306 CE2 PHE A 18 7.052 -4.523 -14.617 1.00 0.00 C ATOM 307 CZ PHE A 18 6.252 -4.988 -15.642 1.00 0.00 C ATOM 0 H PHE A 18 5.979 -4.019 -11.160 1.00 0.00 H new ATOM 0 HA PHE A 18 3.658 -2.571 -10.616 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.774 -1.926 -12.996 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.341 -1.833 -12.216 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.325 -3.614 -14.709 1.00 0.00 H new ATOM 0 HD2 PHE A 18 7.140 -3.364 -12.830 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.283 -5.027 -16.470 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.101 -4.780 -14.590 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.675 -5.606 -16.420 1.00 0.00 H new ATOM 317 N PHE A 19 3.081 -5.436 -12.012 1.00 0.00 N ATOM 318 CA PHE A 19 2.026 -6.378 -12.374 1.00 0.00 C ATOM 319 C PHE A 19 0.986 -6.493 -11.256 1.00 0.00 C ATOM 320 O PHE A 19 -0.209 -6.639 -11.515 1.00 0.00 O ATOM 321 CB PHE A 19 2.637 -7.751 -12.681 1.00 0.00 C ATOM 322 CG PHE A 19 1.631 -8.809 -13.042 1.00 0.00 C ATOM 323 CD1 PHE A 19 1.049 -8.833 -14.297 1.00 0.00 C ATOM 324 CD2 PHE A 19 1.278 -9.785 -12.124 1.00 0.00 C ATOM 325 CE1 PHE A 19 0.131 -9.811 -14.632 1.00 0.00 C ATOM 326 CE2 PHE A 19 0.361 -10.765 -12.452 1.00 0.00 C ATOM 327 CZ PHE A 19 -0.213 -10.777 -13.708 1.00 0.00 C ATOM 0 H PHE A 19 4.014 -5.846 -11.971 1.00 0.00 H new ATOM 0 HA PHE A 19 1.520 -6.006 -13.265 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.346 -7.645 -13.502 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.204 -8.086 -11.812 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.315 -8.079 -15.023 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.725 -9.780 -11.141 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.316 -9.819 -15.615 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.094 -11.520 -11.728 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.930 -11.542 -13.967 1.00 0.00 H new ATOM 337 N ALA A 20 1.443 -6.406 -10.016 1.00 0.00 N ATOM 338 CA ALA A 20 0.558 -6.538 -8.872 1.00 0.00 C ATOM 339 C ALA A 20 0.450 -5.223 -8.110 1.00 0.00 C ATOM 340 O ALA A 20 -0.342 -5.097 -7.180 1.00 0.00 O ATOM 341 CB ALA A 20 1.054 -7.640 -7.950 1.00 0.00 C ATOM 0 H ALA A 20 2.422 -6.245 -9.778 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.434 -6.801 -9.238 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.383 -7.730 -7.096 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.079 -8.585 -8.493 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.057 -7.397 -7.599 1.00 0.00 H new ATOM 347 N ARG A 21 1.246 -4.247 -8.522 1.00 0.00 N ATOM 348 CA ARG A 21 1.316 -2.959 -7.843 1.00 0.00 C ATOM 349 C ARG A 21 -0.015 -2.214 -7.922 1.00 0.00 C ATOM 350 O ARG A 21 -0.414 -1.543 -6.971 1.00 0.00 O ATOM 351 CB ARG A 21 2.437 -2.114 -8.445 1.00 0.00 C ATOM 352 CG ARG A 21 2.551 -0.733 -7.837 1.00 0.00 C ATOM 353 CD ARG A 21 3.683 0.058 -8.464 1.00 0.00 C ATOM 354 NE ARG A 21 3.548 1.488 -8.202 1.00 0.00 N ATOM 355 CZ ARG A 21 4.506 2.385 -8.427 1.00 0.00 C ATOM 356 NH1 ARG A 21 5.692 2.005 -8.889 1.00 0.00 N ATOM 357 NH2 ARG A 21 4.275 3.666 -8.184 1.00 0.00 N ATOM 0 H ARG A 21 1.860 -4.324 -9.333 1.00 0.00 H new ATOM 0 HA ARG A 21 1.530 -3.141 -6.790 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.384 -2.638 -8.316 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.271 -2.016 -9.518 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.612 -0.196 -7.972 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.717 -0.820 -6.763 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.636 -0.296 -8.072 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.697 -0.116 -9.540 1.00 0.00 H new ATOM 0 HE ARG A 21 2.662 1.822 -7.822 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.875 1.019 -9.074 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.420 2.699 -9.058 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.367 3.961 -7.826 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.005 4.357 -8.355 1.00 0.00 H new ATOM 371 N SER A 22 -0.694 -2.331 -9.052 1.00 0.00 N ATOM 372 CA SER A 22 -2.005 -1.720 -9.226 1.00 0.00 C ATOM 373 C SER A 22 -3.011 -2.341 -8.257 1.00 0.00 C ATOM 374 O SER A 22 -3.781 -1.637 -7.596 1.00 0.00 O ATOM 375 CB SER A 22 -2.463 -1.894 -10.677 1.00 0.00 C ATOM 376 OG SER A 22 -2.240 -3.225 -11.124 1.00 0.00 O ATOM 0 H SER A 22 -0.358 -2.845 -9.866 1.00 0.00 H new ATOM 0 HA SER A 22 -1.940 -0.654 -9.006 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.522 -1.651 -10.760 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.925 -1.196 -11.318 1.00 0.00 H new ATOM 0 HG SER A 22 -2.542 -3.313 -12.052 1.00 0.00 H new ATOM 382 N GLN A 23 -2.967 -3.664 -8.164 1.00 0.00 N ATOM 383 CA GLN A 23 -3.836 -4.410 -7.267 1.00 0.00 C ATOM 384 C GLN A 23 -3.497 -4.090 -5.816 1.00 0.00 C ATOM 385 O GLN A 23 -4.384 -3.877 -4.987 1.00 0.00 O ATOM 386 CB GLN A 23 -3.683 -5.912 -7.519 1.00 0.00 C ATOM 387 CG GLN A 23 -4.698 -6.767 -6.774 1.00 0.00 C ATOM 388 CD GLN A 23 -6.097 -6.648 -7.343 1.00 0.00 C ATOM 389 OE1 GLN A 23 -7.086 -6.751 -6.618 1.00 0.00 O ATOM 390 NE2 GLN A 23 -6.190 -6.456 -8.650 1.00 0.00 N ATOM 0 H GLN A 23 -2.330 -4.247 -8.707 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.869 -4.120 -7.459 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.776 -6.103 -8.588 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.679 -6.219 -7.227 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.384 -7.810 -6.810 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.712 -6.474 -5.724 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.345 -6.376 -9.215 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.107 -6.388 -9.092 1.00 0.00 H new ATOM 399 N ALA A 24 -2.204 -4.050 -5.518 1.00 0.00 N ATOM 400 CA ALA A 24 -1.736 -3.763 -4.174 1.00 0.00 C ATOM 401 C ALA A 24 -2.115 -2.355 -3.747 1.00 0.00 C ATOM 402 O ALA A 24 -2.558 -2.154 -2.625 1.00 0.00 O ATOM 403 CB ALA A 24 -0.232 -3.955 -4.072 1.00 0.00 C ATOM 0 H ALA A 24 -1.460 -4.214 -6.196 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.224 -4.467 -3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.095 -3.734 -3.056 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.021 -4.986 -4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.269 -3.282 -4.769 1.00 0.00 H new ATOM 409 N LYS A 25 -1.951 -1.390 -4.649 1.00 0.00 N ATOM 410 CA LYS A 25 -2.291 -0.001 -4.358 1.00 0.00 C ATOM 411 C LYS A 25 -3.745 0.116 -3.918 1.00 0.00 C ATOM 412 O LYS A 25 -4.055 0.806 -2.943 1.00 0.00 O ATOM 413 CB LYS A 25 -2.038 0.880 -5.584 1.00 0.00 C ATOM 414 CG LYS A 25 -2.431 2.331 -5.376 1.00 0.00 C ATOM 415 CD LYS A 25 -2.076 3.189 -6.575 1.00 0.00 C ATOM 416 CE LYS A 25 -2.518 4.632 -6.380 1.00 0.00 C ATOM 417 NZ LYS A 25 -3.998 4.760 -6.299 1.00 0.00 N ATOM 0 H LYS A 25 -1.584 -1.546 -5.588 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.654 0.342 -3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.981 0.832 -5.845 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.594 0.479 -6.431 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.503 2.394 -5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.929 2.720 -4.490 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.999 3.157 -6.741 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.548 2.780 -7.468 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.070 5.027 -5.468 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.147 5.239 -7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.256 5.764 -6.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.428 4.361 -7.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.346 4.244 -5.465 1.00 0.00 H new ATOM 431 N ALA A 26 -4.628 -0.580 -4.629 1.00 0.00 N ATOM 432 CA ALA A 26 -6.044 -0.599 -4.287 1.00 0.00 C ATOM 433 C ALA A 26 -6.247 -1.130 -2.873 1.00 0.00 C ATOM 434 O ALA A 26 -7.053 -0.598 -2.109 1.00 0.00 O ATOM 435 CB ALA A 26 -6.823 -1.437 -5.293 1.00 0.00 C ATOM 0 H ALA A 26 -4.385 -1.139 -5.447 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.422 0.423 -4.325 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.879 -1.441 -5.023 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.705 -1.012 -6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.443 -2.459 -5.287 1.00 0.00 H new ATOM 441 N ARG A 27 -5.490 -2.167 -2.527 1.00 0.00 N ATOM 442 CA ARG A 27 -5.572 -2.769 -1.203 1.00 0.00 C ATOM 443 C ARG A 27 -4.996 -1.832 -0.143 1.00 0.00 C ATOM 444 O ARG A 27 -5.596 -1.641 0.909 1.00 0.00 O ATOM 445 CB ARG A 27 -4.823 -4.105 -1.175 1.00 0.00 C ATOM 446 CG ARG A 27 -5.015 -4.879 0.121 1.00 0.00 C ATOM 447 CD ARG A 27 -6.482 -5.199 0.352 1.00 0.00 C ATOM 448 NE ARG A 27 -6.708 -5.921 1.602 1.00 0.00 N ATOM 449 CZ ARG A 27 -7.823 -6.599 1.869 1.00 0.00 C ATOM 450 NH1 ARG A 27 -8.785 -6.682 0.959 1.00 0.00 N ATOM 451 NH2 ARG A 27 -7.972 -7.196 3.043 1.00 0.00 N ATOM 0 H ARG A 27 -4.812 -2.608 -3.148 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.624 -2.945 -0.979 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.160 -4.720 -2.010 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.759 -3.920 -1.325 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.439 -5.804 0.085 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.630 -4.296 0.958 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.055 -4.272 0.363 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.856 -5.795 -0.481 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.972 -5.905 2.308 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.671 -6.226 0.054 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.638 -7.202 1.165 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.232 -7.136 3.743 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.826 -7.715 3.246 1.00 0.00 H new ATOM 465 N ILE A 28 -3.836 -1.253 -0.435 1.00 0.00 N ATOM 466 CA ILE A 28 -3.158 -0.343 0.490 1.00 0.00 C ATOM 467 C ILE A 28 -4.066 0.814 0.882 1.00 0.00 C ATOM 468 O ILE A 28 -4.261 1.093 2.067 1.00 0.00 O ATOM 469 CB ILE A 28 -1.864 0.230 -0.129 1.00 0.00 C ATOM 470 CG1 ILE A 28 -0.894 -0.899 -0.474 1.00 0.00 C ATOM 471 CG2 ILE A 28 -1.207 1.216 0.829 1.00 0.00 C ATOM 472 CD1 ILE A 28 0.261 -0.461 -1.344 1.00 0.00 C ATOM 0 H ILE A 28 -3.339 -1.398 -1.314 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.904 -0.925 1.376 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.125 0.758 -1.046 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.501 -1.324 0.450 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.440 -1.693 -0.983 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.297 1.610 0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.895 2.036 1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.959 0.708 1.761 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.907 -1.315 -1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.122 -0.063 -2.284 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.832 0.312 -0.829 1.00 0.00 H new ATOM 484 N GLU A 29 -4.630 1.475 -0.119 1.00 0.00 N ATOM 485 CA GLU A 29 -5.503 2.607 0.120 1.00 0.00 C ATOM 486 C GLU A 29 -6.797 2.152 0.791 1.00 0.00 C ATOM 487 O GLU A 29 -7.361 2.875 1.608 1.00 0.00 O ATOM 488 CB GLU A 29 -5.782 3.352 -1.187 1.00 0.00 C ATOM 489 CG GLU A 29 -4.516 3.892 -1.836 1.00 0.00 C ATOM 490 CD GLU A 29 -4.773 4.634 -3.132 1.00 0.00 C ATOM 491 OE1 GLU A 29 -5.327 4.023 -4.074 1.00 0.00 O ATOM 492 OE2 GLU A 29 -4.406 5.825 -3.223 1.00 0.00 O ATOM 0 H GLU A 29 -4.496 1.244 -1.103 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.003 3.299 0.798 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.284 2.681 -1.883 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.466 4.178 -0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.015 4.561 -1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.834 3.064 -2.029 1.00 0.00 H new ATOM 499 N GLN A 30 -7.245 0.937 0.471 1.00 0.00 N ATOM 500 CA GLN A 30 -8.423 0.361 1.118 1.00 0.00 C ATOM 501 C GLN A 30 -8.145 0.131 2.600 1.00 0.00 C ATOM 502 O GLN A 30 -8.988 0.407 3.453 1.00 0.00 O ATOM 503 CB GLN A 30 -8.809 -0.964 0.453 1.00 0.00 C ATOM 504 CG GLN A 30 -10.091 -1.573 1.000 1.00 0.00 C ATOM 505 CD GLN A 30 -10.341 -2.975 0.480 1.00 0.00 C ATOM 506 OE1 GLN A 30 -9.926 -3.958 1.093 1.00 0.00 O ATOM 507 NE2 GLN A 30 -11.012 -3.080 -0.654 1.00 0.00 N ATOM 0 H GLN A 30 -6.811 0.335 -0.229 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.252 1.061 1.011 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.923 -0.803 -0.619 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.994 -1.676 0.583 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.041 -1.597 2.089 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.934 -0.935 0.733 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -11.340 -2.241 -1.132 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -11.202 -4.000 -1.051 1.00 0.00 H new ATOM 516 N LEU A 31 -6.949 -0.370 2.895 1.00 0.00 N ATOM 517 CA LEU A 31 -6.512 -0.581 4.270 1.00 0.00 C ATOM 518 C LEU A 31 -6.491 0.741 5.026 1.00 0.00 C ATOM 519 O LEU A 31 -6.857 0.804 6.199 1.00 0.00 O ATOM 520 CB LEU A 31 -5.122 -1.227 4.293 1.00 0.00 C ATOM 521 CG LEU A 31 -5.041 -2.620 3.664 1.00 0.00 C ATOM 522 CD1 LEU A 31 -3.593 -3.060 3.509 1.00 0.00 C ATOM 523 CD2 LEU A 31 -5.818 -3.626 4.499 1.00 0.00 C ATOM 0 H LEU A 31 -6.260 -0.639 2.193 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.217 -1.252 4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.425 -0.570 3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.787 -1.293 5.328 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.490 -2.573 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.560 -4.053 3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.065 -2.354 2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.115 -3.089 4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.750 -4.611 4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.398 -3.666 5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.863 -3.323 4.554 1.00 0.00 H new ATOM 535 N ALA A 32 -6.068 1.798 4.341 1.00 0.00 N ATOM 536 CA ALA A 32 -6.071 3.134 4.920 1.00 0.00 C ATOM 537 C ALA A 32 -7.499 3.602 5.183 1.00 0.00 C ATOM 538 O ALA A 32 -7.777 4.203 6.219 1.00 0.00 O ATOM 539 CB ALA A 32 -5.341 4.112 4.018 1.00 0.00 C ATOM 0 H ALA A 32 -5.719 1.754 3.384 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.544 3.095 5.873 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.355 5.104 4.470 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.309 3.787 3.889 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.834 4.149 3.047 1.00 0.00 H new ATOM 545 N ARG A 33 -8.401 3.309 4.249 1.00 0.00 N ATOM 546 CA ARG A 33 -9.817 3.621 4.425 1.00 0.00 C ATOM 547 C ARG A 33 -10.359 2.889 5.648 1.00 0.00 C ATOM 548 O ARG A 33 -11.129 3.447 6.428 1.00 0.00 O ATOM 549 CB ARG A 33 -10.633 3.220 3.193 1.00 0.00 C ATOM 550 CG ARG A 33 -10.149 3.849 1.899 1.00 0.00 C ATOM 551 CD ARG A 33 -10.995 3.408 0.713 1.00 0.00 C ATOM 552 NE ARG A 33 -10.391 3.788 -0.564 1.00 0.00 N ATOM 553 CZ ARG A 33 -10.693 4.896 -1.237 1.00 0.00 C ATOM 554 NH1 ARG A 33 -11.573 5.764 -0.736 1.00 0.00 N ATOM 555 NH2 ARG A 33 -10.108 5.145 -2.403 1.00 0.00 N ATOM 0 H ARG A 33 -8.177 2.856 3.363 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.908 4.698 4.564 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.606 2.135 3.090 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.674 3.499 3.353 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.182 4.935 1.987 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.108 3.574 1.727 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.126 2.326 0.744 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.987 3.852 0.791 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.692 3.163 -0.965 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.016 5.579 0.164 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.803 6.613 -1.253 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.427 4.487 -2.783 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.339 5.994 -2.919 1.00 0.00 H new ATOM 569 N GLN A 34 -9.933 1.641 5.804 1.00 0.00 N ATOM 570 CA GLN A 34 -10.345 0.813 6.932 1.00 0.00 C ATOM 571 C GLN A 34 -9.809 1.398 8.239 1.00 0.00 C ATOM 572 O GLN A 34 -10.502 1.417 9.253 1.00 0.00 O ATOM 573 CB GLN A 34 -9.856 -0.632 6.726 1.00 0.00 C ATOM 574 CG GLN A 34 -10.505 -1.657 7.651 1.00 0.00 C ATOM 575 CD GLN A 34 -9.895 -1.693 9.040 1.00 0.00 C ATOM 576 OE1 GLN A 34 -10.585 -1.962 10.025 1.00 0.00 O ATOM 577 NE2 GLN A 34 -8.596 -1.439 9.132 1.00 0.00 N ATOM 0 H GLN A 34 -9.296 1.176 5.157 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.433 0.800 6.992 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.045 -0.922 5.693 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.776 -0.661 6.873 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.569 -1.435 7.736 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.420 -2.646 7.200 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.058 -1.220 8.293 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.135 -1.463 10.042 1.00 0.00 H new ATOM 586 N ALA A 35 -8.578 1.893 8.201 1.00 0.00 N ATOM 587 CA ALA A 35 -7.978 2.551 9.360 1.00 0.00 C ATOM 588 C ALA A 35 -8.526 3.969 9.521 1.00 0.00 C ATOM 589 O ALA A 35 -8.226 4.660 10.498 1.00 0.00 O ATOM 590 CB ALA A 35 -6.462 2.578 9.230 1.00 0.00 C ATOM 0 H ALA A 35 -7.973 1.852 7.380 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.240 1.980 10.251 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.031 3.071 10.101 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.084 1.558 9.167 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.184 3.124 8.329 1.00 0.00 H new ATOM 596 N GLU A 36 -9.314 4.392 8.533 1.00 0.00 N ATOM 597 CA GLU A 36 -9.986 5.691 8.532 1.00 0.00 C ATOM 598 C GLU A 36 -8.990 6.843 8.448 1.00 0.00 C ATOM 599 O GLU A 36 -9.289 7.971 8.844 1.00 0.00 O ATOM 600 CB GLU A 36 -10.901 5.836 9.750 1.00 0.00 C ATOM 601 CG GLU A 36 -12.072 4.868 9.722 1.00 0.00 C ATOM 602 CD GLU A 36 -13.096 5.148 10.798 1.00 0.00 C ATOM 603 OE1 GLU A 36 -13.726 6.225 10.751 1.00 0.00 O ATOM 604 OE2 GLU A 36 -13.281 4.293 11.687 1.00 0.00 O ATOM 0 H GLU A 36 -9.506 3.835 7.700 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.607 5.737 7.637 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.320 5.671 10.657 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.280 6.857 9.795 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.555 4.919 8.746 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.698 3.851 9.840 1.00 0.00 H new ATOM 611 N GLN A 37 -7.821 6.559 7.893 1.00 0.00 N ATOM 612 CA GLN A 37 -6.814 7.583 7.662 1.00 0.00 C ATOM 613 C GLN A 37 -6.679 7.839 6.167 1.00 0.00 C ATOM 614 O GLN A 37 -6.727 6.906 5.365 1.00 0.00 O ATOM 615 CB GLN A 37 -5.464 7.171 8.267 1.00 0.00 C ATOM 616 CG GLN A 37 -4.955 5.819 7.790 1.00 0.00 C ATOM 617 CD GLN A 37 -3.602 5.462 8.378 1.00 0.00 C ATOM 618 OE1 GLN A 37 -3.261 5.877 9.485 1.00 0.00 O ATOM 619 NE2 GLN A 37 -2.819 4.693 7.638 1.00 0.00 N ATOM 0 H GLN A 37 -7.546 5.624 7.593 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.129 8.504 8.153 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.722 7.932 8.025 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.556 7.150 9.353 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.678 5.048 8.058 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.884 5.825 6.702 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.138 4.369 6.725 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.897 4.424 7.981 1.00 0.00 H new ATOM 628 N ASP A 38 -6.524 9.099 5.790 1.00 0.00 N ATOM 629 CA ASP A 38 -6.447 9.465 4.377 1.00 0.00 C ATOM 630 C ASP A 38 -5.001 9.448 3.908 1.00 0.00 C ATOM 631 O ASP A 38 -4.703 9.731 2.749 1.00 0.00 O ATOM 632 CB ASP A 38 -7.055 10.847 4.138 1.00 0.00 C ATOM 633 CG ASP A 38 -8.534 10.905 4.458 1.00 0.00 C ATOM 634 OD1 ASP A 38 -8.887 11.062 5.648 1.00 0.00 O ATOM 635 OD2 ASP A 38 -9.355 10.811 3.520 1.00 0.00 O ATOM 0 H ASP A 38 -6.449 9.885 6.436 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.017 8.733 3.805 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.528 11.580 4.748 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.903 11.130 3.096 1.00 0.00 H new ATOM 640 N ILE A 39 -4.115 9.118 4.829 1.00 0.00 N ATOM 641 CA ILE A 39 -2.696 9.022 4.545 1.00 0.00 C ATOM 642 C ILE A 39 -2.259 7.574 4.668 1.00 0.00 C ATOM 643 O ILE A 39 -2.623 6.897 5.628 1.00 0.00 O ATOM 644 CB ILE A 39 -1.878 9.882 5.532 1.00 0.00 C ATOM 645 CG1 ILE A 39 -2.445 11.303 5.600 1.00 0.00 C ATOM 646 CG2 ILE A 39 -0.412 9.912 5.119 1.00 0.00 C ATOM 647 CD1 ILE A 39 -1.835 12.150 6.692 1.00 0.00 C ATOM 0 H ILE A 39 -4.360 8.909 5.797 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.519 9.387 3.533 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.949 9.435 6.524 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.286 11.794 4.640 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.523 11.247 5.755 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.152 10.522 5.824 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.014 8.897 5.117 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.324 10.338 4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.286 13.142 6.678 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.017 11.682 7.660 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.761 12.238 6.527 1.00 0.00 H new ATOM 659 N VAL A 40 -1.505 7.086 3.701 1.00 0.00 N ATOM 660 CA VAL A 40 -1.030 5.720 3.764 1.00 0.00 C ATOM 661 C VAL A 40 0.399 5.680 4.291 1.00 0.00 C ATOM 662 O VAL A 40 1.256 6.478 3.890 1.00 0.00 O ATOM 663 CB VAL A 40 -1.112 4.991 2.403 1.00 0.00 C ATOM 664 CG1 VAL A 40 -2.532 5.018 1.861 1.00 0.00 C ATOM 665 CG2 VAL A 40 -0.146 5.591 1.399 1.00 0.00 C ATOM 0 H VAL A 40 -1.212 7.607 2.875 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.691 5.191 4.450 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.825 3.952 2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.566 4.499 0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.200 4.522 2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.850 6.052 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.227 5.057 0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.388 6.642 1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.872 5.505 1.778 1.00 0.00 H new ATOM 675 N THR A 41 0.640 4.770 5.207 1.00 0.00 N ATOM 676 CA THR A 41 1.946 4.602 5.796 1.00 0.00 C ATOM 677 C THR A 41 2.666 3.411 5.156 1.00 0.00 C ATOM 678 O THR A 41 2.020 2.506 4.617 1.00 0.00 O ATOM 679 CB THR A 41 1.813 4.424 7.317 1.00 0.00 C ATOM 680 OG1 THR A 41 0.614 3.693 7.607 1.00 0.00 O ATOM 681 CG2 THR A 41 1.775 5.773 8.023 1.00 0.00 C ATOM 0 H THR A 41 -0.065 4.126 5.564 1.00 0.00 H new ATOM 0 HA THR A 41 2.545 5.493 5.609 1.00 0.00 H new ATOM 0 HB THR A 41 2.681 3.873 7.680 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.842 2.861 8.072 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.681 5.619 9.098 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.695 6.319 7.814 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.922 6.348 7.663 1.00 0.00 H new ATOM 689 N PRO A 42 4.009 3.406 5.191 1.00 0.00 N ATOM 690 CA PRO A 42 4.823 2.393 4.502 1.00 0.00 C ATOM 691 C PRO A 42 4.536 0.963 4.957 1.00 0.00 C ATOM 692 O PRO A 42 4.649 0.022 4.172 1.00 0.00 O ATOM 693 CB PRO A 42 6.264 2.779 4.858 1.00 0.00 C ATOM 694 CG PRO A 42 6.148 3.660 6.055 1.00 0.00 C ATOM 695 CD PRO A 42 4.845 4.386 5.903 1.00 0.00 C ATOM 0 HA PRO A 42 4.611 2.388 3.433 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.866 1.897 5.075 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.748 3.299 4.031 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.165 3.075 6.974 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.982 4.360 6.108 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.418 4.657 6.868 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.960 5.309 5.335 1.00 0.00 H new ATOM 703 N GLU A 43 4.155 0.801 6.217 1.00 0.00 N ATOM 704 CA GLU A 43 3.920 -0.527 6.770 1.00 0.00 C ATOM 705 C GLU A 43 2.575 -1.092 6.310 1.00 0.00 C ATOM 706 O GLU A 43 2.387 -2.304 6.271 1.00 0.00 O ATOM 707 CB GLU A 43 4.049 -0.534 8.306 1.00 0.00 C ATOM 708 CG GLU A 43 3.835 0.812 8.986 1.00 0.00 C ATOM 709 CD GLU A 43 2.396 1.262 8.974 1.00 0.00 C ATOM 710 OE1 GLU A 43 1.881 1.563 7.889 1.00 0.00 O ATOM 711 OE2 GLU A 43 1.781 1.331 10.059 1.00 0.00 O ATOM 0 H GLU A 43 4.003 1.567 6.873 1.00 0.00 H new ATOM 0 HA GLU A 43 4.697 -1.185 6.382 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.329 -1.245 8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.041 -0.901 8.569 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.181 0.749 10.018 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.448 1.564 8.490 1.00 0.00 H new ATOM 718 N LEU A 44 1.643 -0.212 5.945 1.00 0.00 N ATOM 719 CA LEU A 44 0.396 -0.643 5.319 1.00 0.00 C ATOM 720 C LEU A 44 0.668 -1.104 3.896 1.00 0.00 C ATOM 721 O LEU A 44 0.076 -2.074 3.417 1.00 0.00 O ATOM 722 CB LEU A 44 -0.643 0.484 5.313 1.00 0.00 C ATOM 723 CG LEU A 44 -1.733 0.380 6.383 1.00 0.00 C ATOM 724 CD1 LEU A 44 -1.132 0.369 7.777 1.00 0.00 C ATOM 725 CD2 LEU A 44 -2.723 1.525 6.237 1.00 0.00 C ATOM 0 H LEU A 44 1.728 0.797 6.071 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.008 -1.471 5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.124 1.434 5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.121 0.509 4.334 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.262 -0.562 6.240 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.929 0.294 8.516 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.463 -0.485 7.878 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.572 1.290 7.939 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.493 1.440 7.004 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.200 2.475 6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.186 1.482 5.251 1.00 0.00 H new ATOM 737 N VAL A 45 1.575 -0.401 3.227 1.00 0.00 N ATOM 738 CA VAL A 45 2.017 -0.786 1.893 1.00 0.00 C ATOM 739 C VAL A 45 2.666 -2.165 1.934 1.00 0.00 C ATOM 740 O VAL A 45 2.384 -3.028 1.104 1.00 0.00 O ATOM 741 CB VAL A 45 3.027 0.232 1.319 1.00 0.00 C ATOM 742 CG1 VAL A 45 3.503 -0.185 -0.065 1.00 0.00 C ATOM 743 CG2 VAL A 45 2.419 1.623 1.281 1.00 0.00 C ATOM 0 H VAL A 45 2.020 0.442 3.589 1.00 0.00 H new ATOM 0 HA VAL A 45 1.139 -0.807 1.247 1.00 0.00 H new ATOM 0 HB VAL A 45 3.895 0.252 1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.213 0.551 -0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.988 -1.159 -0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.650 -0.246 -0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.145 2.326 0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.530 1.614 0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.145 1.928 2.291 1.00 0.00 H new ATOM 753 N GLU A 46 3.527 -2.365 2.923 1.00 0.00 N ATOM 754 CA GLU A 46 4.218 -3.632 3.087 1.00 0.00 C ATOM 755 C GLU A 46 3.247 -4.710 3.562 1.00 0.00 C ATOM 756 O GLU A 46 3.351 -5.868 3.158 1.00 0.00 O ATOM 757 CB GLU A 46 5.382 -3.469 4.059 1.00 0.00 C ATOM 758 CG GLU A 46 6.350 -4.638 4.065 1.00 0.00 C ATOM 759 CD GLU A 46 7.706 -4.243 4.608 1.00 0.00 C ATOM 760 OE1 GLU A 46 7.839 -4.085 5.838 1.00 0.00 O ATOM 761 OE2 GLU A 46 8.647 -4.071 3.801 1.00 0.00 O ATOM 0 H GLU A 46 3.762 -1.663 3.624 1.00 0.00 H new ATOM 0 HA GLU A 46 4.620 -3.947 2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.928 -2.560 3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.985 -3.334 5.065 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.939 -5.447 4.668 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.462 -5.022 3.051 1.00 0.00 H new ATOM 768 N GLN A 47 2.292 -4.320 4.408 1.00 0.00 N ATOM 769 CA GLN A 47 1.236 -5.231 4.843 1.00 0.00 C ATOM 770 C GLN A 47 0.538 -5.812 3.622 1.00 0.00 C ATOM 771 O GLN A 47 0.407 -7.027 3.498 1.00 0.00 O ATOM 772 CB GLN A 47 0.214 -4.498 5.722 1.00 0.00 C ATOM 773 CG GLN A 47 -0.129 -5.195 7.041 1.00 0.00 C ATOM 774 CD GLN A 47 -1.103 -6.366 6.917 1.00 0.00 C ATOM 775 OE1 GLN A 47 -1.903 -6.613 7.821 1.00 0.00 O ATOM 776 NE2 GLN A 47 -1.041 -7.109 5.827 1.00 0.00 N ATOM 0 H GLN A 47 2.229 -3.382 4.804 1.00 0.00 H new ATOM 0 HA GLN A 47 1.684 -6.033 5.430 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.598 -3.502 5.945 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.704 -4.365 5.150 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.794 -5.556 7.495 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.554 -4.459 7.724 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.370 -6.883 5.093 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.665 -7.909 5.719 1.00 0.00 H new ATOM 785 N ALA A 48 0.113 -4.940 2.716 1.00 0.00 N ATOM 786 CA ALA A 48 -0.550 -5.370 1.492 1.00 0.00 C ATOM 787 C ALA A 48 0.367 -6.254 0.654 1.00 0.00 C ATOM 788 O ALA A 48 -0.091 -7.164 -0.031 1.00 0.00 O ATOM 789 CB ALA A 48 -0.998 -4.165 0.688 1.00 0.00 C ATOM 0 H ALA A 48 0.216 -3.929 2.806 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.426 -5.957 1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.492 -4.499 -0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.694 -3.571 1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.131 -3.557 0.429 1.00 0.00 H new ATOM 795 N ARG A 49 1.664 -5.998 0.741 1.00 0.00 N ATOM 796 CA ARG A 49 2.647 -6.771 -0.002 1.00 0.00 C ATOM 797 C ARG A 49 2.669 -8.204 0.526 1.00 0.00 C ATOM 798 O ARG A 49 2.733 -9.171 -0.235 1.00 0.00 O ATOM 799 CB ARG A 49 4.020 -6.123 0.149 1.00 0.00 C ATOM 800 CG ARG A 49 5.025 -6.536 -0.907 1.00 0.00 C ATOM 801 CD ARG A 49 6.399 -5.998 -0.566 1.00 0.00 C ATOM 802 NE ARG A 49 7.341 -6.110 -1.678 1.00 0.00 N ATOM 803 CZ ARG A 49 8.617 -6.468 -1.541 1.00 0.00 C ATOM 804 NH1 ARG A 49 9.087 -6.843 -0.357 1.00 0.00 N ATOM 805 NH2 ARG A 49 9.424 -6.447 -2.592 1.00 0.00 N ATOM 0 H ARG A 49 2.061 -5.258 1.321 1.00 0.00 H new ATOM 0 HA ARG A 49 2.383 -6.791 -1.059 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.903 -5.040 0.118 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.420 -6.372 1.132 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.061 -7.623 -0.979 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.712 -6.162 -1.882 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.312 -4.952 -0.273 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.793 -6.539 0.294 1.00 0.00 H new ATOM 0 HE ARG A 49 7.001 -5.901 -2.617 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.470 -6.858 0.455 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.065 -7.116 -0.260 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.068 -6.157 -3.503 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.401 -6.721 -2.490 1.00 0.00 H new ATOM 819 N LEU A 50 2.586 -8.322 1.844 1.00 0.00 N ATOM 820 CA LEU A 50 2.570 -9.618 2.506 1.00 0.00 C ATOM 821 C LEU A 50 1.223 -10.310 2.307 1.00 0.00 C ATOM 822 O LEU A 50 1.146 -11.540 2.281 1.00 0.00 O ATOM 823 CB LEU A 50 2.876 -9.451 3.996 1.00 0.00 C ATOM 824 CG LEU A 50 4.064 -10.266 4.504 1.00 0.00 C ATOM 825 CD1 LEU A 50 3.823 -11.754 4.305 1.00 0.00 C ATOM 826 CD2 LEU A 50 5.340 -9.831 3.798 1.00 0.00 C ATOM 0 H LEU A 50 2.528 -7.527 2.481 1.00 0.00 H new ATOM 0 HA LEU A 50 3.341 -10.246 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.065 -8.397 4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.991 -9.731 4.567 1.00 0.00 H new ATOM 0 HG LEU A 50 4.177 -10.082 5.573 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.682 -12.314 4.674 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.931 -12.055 4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.683 -11.961 3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.180 -10.419 4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.233 -9.987 2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.522 -8.774 3.994 1.00 0.00 H new ATOM 838 N GLU A 51 0.168 -9.512 2.165 1.00 0.00 N ATOM 839 CA GLU A 51 -1.160 -10.037 1.860 1.00 0.00 C ATOM 840 C GLU A 51 -1.109 -10.892 0.604 1.00 0.00 C ATOM 841 O GLU A 51 -1.541 -12.043 0.604 1.00 0.00 O ATOM 842 CB GLU A 51 -2.163 -8.894 1.654 1.00 0.00 C ATOM 843 CG GLU A 51 -2.467 -8.096 2.907 1.00 0.00 C ATOM 844 CD GLU A 51 -3.248 -8.888 3.930 1.00 0.00 C ATOM 845 OE1 GLU A 51 -4.442 -9.156 3.689 1.00 0.00 O ATOM 846 OE2 GLU A 51 -2.682 -9.230 4.992 1.00 0.00 O ATOM 0 H GLU A 51 0.207 -8.497 2.257 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.485 -10.646 2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.774 -8.218 0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.094 -9.309 1.267 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.532 -7.758 3.353 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.032 -7.204 2.636 1.00 0.00 H new ATOM 853 N PHE A 52 -0.547 -10.332 -0.460 1.00 0.00 N ATOM 854 CA PHE A 52 -0.483 -11.023 -1.739 1.00 0.00 C ATOM 855 C PHE A 52 0.548 -12.144 -1.708 1.00 0.00 C ATOM 856 O PHE A 52 0.467 -13.088 -2.492 1.00 0.00 O ATOM 857 CB PHE A 52 -0.187 -10.041 -2.871 1.00 0.00 C ATOM 858 CG PHE A 52 -1.324 -9.093 -3.132 1.00 0.00 C ATOM 859 CD1 PHE A 52 -2.434 -9.506 -3.849 1.00 0.00 C ATOM 860 CD2 PHE A 52 -1.289 -7.797 -2.646 1.00 0.00 C ATOM 861 CE1 PHE A 52 -3.490 -8.645 -4.074 1.00 0.00 C ATOM 862 CE2 PHE A 52 -2.340 -6.931 -2.870 1.00 0.00 C ATOM 863 CZ PHE A 52 -3.442 -7.356 -3.583 1.00 0.00 C ATOM 0 H PHE A 52 -0.129 -9.401 -0.461 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.458 -11.473 -1.926 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.708 -9.469 -2.625 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.031 -10.599 -3.782 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.475 -10.513 -4.237 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.430 -7.460 -2.085 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.351 -8.980 -4.633 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.300 -5.922 -2.488 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.267 -6.680 -3.757 1.00 0.00 H new ATOM 873 N GLY A 53 1.507 -12.042 -0.795 1.00 0.00 N ATOM 874 CA GLY A 53 2.426 -13.143 -0.566 1.00 0.00 C ATOM 875 C GLY A 53 1.702 -14.381 -0.067 1.00 0.00 C ATOM 876 O GLY A 53 2.104 -15.509 -0.352 1.00 0.00 O ATOM 0 H GLY A 53 1.665 -11.221 -0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.952 -13.377 -1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.180 -12.843 0.162 1.00 0.00 H new ATOM 880 N GLN A 54 0.625 -14.161 0.678 1.00 0.00 N ATOM 881 CA GLN A 54 -0.202 -15.249 1.182 1.00 0.00 C ATOM 882 C GLN A 54 -1.296 -15.606 0.175 1.00 0.00 C ATOM 883 O GLN A 54 -1.726 -16.757 0.088 1.00 0.00 O ATOM 884 CB GLN A 54 -0.842 -14.855 2.514 1.00 0.00 C ATOM 885 CG GLN A 54 0.165 -14.557 3.611 1.00 0.00 C ATOM 886 CD GLN A 54 0.927 -15.789 4.051 1.00 0.00 C ATOM 887 OE1 GLN A 54 1.977 -16.117 3.499 1.00 0.00 O ATOM 888 NE2 GLN A 54 0.413 -16.467 5.064 1.00 0.00 N ATOM 0 H GLN A 54 0.303 -13.231 0.948 1.00 0.00 H new ATOM 0 HA GLN A 54 0.437 -16.119 1.333 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -1.469 -13.977 2.360 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.498 -15.661 2.844 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.870 -13.805 3.257 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.354 -14.129 4.469 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.460 -16.160 5.493 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.890 -17.297 5.417 1.00 0.00 H new ATOM 897 N LEU A 55 -1.738 -14.611 -0.583 1.00 0.00 N ATOM 898 CA LEU A 55 -2.819 -14.791 -1.549 1.00 0.00 C ATOM 899 C LEU A 55 -2.313 -15.360 -2.872 1.00 0.00 C ATOM 900 O LEU A 55 -3.101 -15.606 -3.786 1.00 0.00 O ATOM 901 CB LEU A 55 -3.527 -13.458 -1.803 1.00 0.00 C ATOM 902 CG LEU A 55 -4.259 -12.864 -0.602 1.00 0.00 C ATOM 903 CD1 LEU A 55 -4.790 -11.482 -0.943 1.00 0.00 C ATOM 904 CD2 LEU A 55 -5.393 -13.776 -0.164 1.00 0.00 C ATOM 0 H LEU A 55 -1.362 -13.663 -0.548 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.521 -15.507 -1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.789 -12.735 -2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.244 -13.596 -2.612 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.554 -12.773 0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.310 -11.069 -0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.960 -10.830 -1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.482 -11.555 -1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.903 -13.336 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.100 -13.897 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.990 -14.750 0.114 1.00 0.00 H new ATOM 916 N GLU A 56 -1.005 -15.550 -2.981 1.00 0.00 N ATOM 917 CA GLU A 56 -0.421 -16.130 -4.181 1.00 0.00 C ATOM 918 C GLU A 56 -0.855 -17.585 -4.317 1.00 0.00 C ATOM 919 O GLU A 56 -0.354 -18.465 -3.620 1.00 0.00 O ATOM 920 CB GLU A 56 1.110 -16.024 -4.144 1.00 0.00 C ATOM 921 CG GLU A 56 1.708 -15.328 -5.362 1.00 0.00 C ATOM 922 CD GLU A 56 1.626 -16.166 -6.628 1.00 0.00 C ATOM 923 OE1 GLU A 56 0.644 -16.917 -6.794 1.00 0.00 O ATOM 924 OE2 GLU A 56 2.549 -16.073 -7.467 1.00 0.00 O ATOM 0 H GLU A 56 -0.330 -15.311 -2.254 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.777 -15.574 -5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.406 -15.482 -3.246 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.533 -17.026 -4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.189 -14.383 -5.524 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.752 -15.088 -5.160 1.00 0.00 H new ATOM 931 N HIS A 57 -1.822 -17.824 -5.195 1.00 0.00 N ATOM 932 CA HIS A 57 -2.336 -19.168 -5.419 1.00 0.00 C ATOM 933 C HIS A 57 -1.816 -19.730 -6.733 1.00 0.00 C ATOM 934 O HIS A 57 -2.130 -20.861 -7.105 1.00 0.00 O ATOM 935 CB HIS A 57 -3.866 -19.168 -5.412 1.00 0.00 C ATOM 936 CG HIS A 57 -4.459 -18.771 -4.095 1.00 0.00 C ATOM 937 ND1 HIS A 57 -5.221 -17.637 -3.922 1.00 0.00 N ATOM 938 CD2 HIS A 57 -4.395 -19.366 -2.881 1.00 0.00 C ATOM 939 CE1 HIS A 57 -5.600 -17.550 -2.661 1.00 0.00 C ATOM 940 NE2 HIS A 57 -5.112 -18.587 -2.011 1.00 0.00 N ATOM 0 H HIS A 57 -2.266 -17.103 -5.764 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.985 -19.805 -4.607 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -4.225 -18.486 -6.183 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -4.222 -20.164 -5.676 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.876 -20.283 -2.643 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -6.206 -16.764 -2.235 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -5.246 -18.779 -1.018 1.00 0.00 H new ATOM 949 N HIS A 58 -1.025 -18.932 -7.433 1.00 0.00 N ATOM 950 CA HIS A 58 -0.374 -19.379 -8.654 1.00 0.00 C ATOM 951 C HIS A 58 0.925 -20.067 -8.263 1.00 0.00 C ATOM 952 O HIS A 58 1.396 -20.990 -8.925 1.00 0.00 O ATOM 953 CB HIS A 58 -0.117 -18.187 -9.583 1.00 0.00 C ATOM 954 CG HIS A 58 0.297 -18.560 -10.974 1.00 0.00 C ATOM 955 ND1 HIS A 58 1.295 -17.905 -11.659 1.00 0.00 N ATOM 956 CD2 HIS A 58 -0.184 -19.501 -11.820 1.00 0.00 C ATOM 957 CE1 HIS A 58 1.410 -18.423 -12.867 1.00 0.00 C ATOM 958 NE2 HIS A 58 0.525 -19.393 -12.989 1.00 0.00 N ATOM 0 H HIS A 58 -0.818 -17.967 -7.175 1.00 0.00 H new ATOM 0 HA HIS A 58 -1.009 -20.079 -9.197 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -1.023 -17.583 -9.637 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.658 -17.560 -9.143 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -0.977 -20.204 -11.613 1.00 0.00 H new ATOM 0 HE1 HIS A 58 2.110 -18.107 -13.626 1.00 0.00 H new ATOM 0 HE2 HIS A 58 0.390 -19.970 -13.819 1.00 0.00 H new ATOM 967 N HIS A 59 1.500 -19.589 -7.169 1.00 0.00 N ATOM 968 CA HIS A 59 2.599 -20.273 -6.511 1.00 0.00 C ATOM 969 C HIS A 59 2.073 -20.995 -5.278 1.00 0.00 C ATOM 970 O HIS A 59 2.016 -20.421 -4.191 1.00 0.00 O ATOM 971 CB HIS A 59 3.711 -19.296 -6.109 1.00 0.00 C ATOM 972 CG HIS A 59 4.611 -18.883 -7.236 1.00 0.00 C ATOM 973 ND1 HIS A 59 5.982 -18.969 -7.165 1.00 0.00 N ATOM 974 CD2 HIS A 59 4.334 -18.361 -8.453 1.00 0.00 C ATOM 975 CE1 HIS A 59 6.510 -18.515 -8.285 1.00 0.00 C ATOM 976 NE2 HIS A 59 5.530 -18.137 -9.088 1.00 0.00 N ATOM 0 H HIS A 59 1.218 -18.720 -6.716 1.00 0.00 H new ATOM 0 HA HIS A 59 3.026 -20.991 -7.212 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.256 -18.404 -5.678 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.316 -19.755 -5.327 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.351 -18.158 -8.852 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.565 -18.461 -8.509 1.00 0.00 H new ATOM 0 HE2 HIS A 59 5.644 -17.745 -10.023 1.00 0.00 H new ATOM 985 N HIS A 60 1.660 -22.244 -5.453 1.00 0.00 N ATOM 986 CA HIS A 60 1.081 -23.000 -4.356 1.00 0.00 C ATOM 987 C HIS A 60 1.440 -24.483 -4.441 1.00 0.00 C ATOM 988 O HIS A 60 0.826 -25.238 -5.193 1.00 0.00 O ATOM 989 CB HIS A 60 -0.445 -22.834 -4.330 1.00 0.00 C ATOM 990 CG HIS A 60 -1.105 -23.499 -3.157 1.00 0.00 C ATOM 991 ND1 HIS A 60 -1.356 -22.849 -1.966 1.00 0.00 N ATOM 992 CD2 HIS A 60 -1.556 -24.765 -2.989 1.00 0.00 C ATOM 993 CE1 HIS A 60 -1.933 -23.682 -1.123 1.00 0.00 C ATOM 994 NE2 HIS A 60 -2.067 -24.851 -1.719 1.00 0.00 N ATOM 0 H HIS A 60 1.715 -22.749 -6.337 1.00 0.00 H new ATOM 0 HA HIS A 60 1.501 -22.602 -3.432 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -0.686 -21.771 -4.316 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.862 -23.243 -5.250 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.520 -25.560 -3.720 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -2.243 -23.447 -0.116 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -2.483 -25.684 -1.303 1.00 0.00 H new ATOM 1003 N HIS A 61 2.445 -24.879 -3.675 1.00 0.00 N ATOM 1004 CA HIS A 61 2.758 -26.291 -3.476 1.00 0.00 C ATOM 1005 C HIS A 61 3.595 -26.449 -2.213 1.00 0.00 C ATOM 1006 O HIS A 61 4.497 -25.652 -1.952 1.00 0.00 O ATOM 1007 CB HIS A 61 3.476 -26.904 -4.698 1.00 0.00 C ATOM 1008 CG HIS A 61 4.861 -26.381 -4.958 1.00 0.00 C ATOM 1009 ND1 HIS A 61 5.145 -25.446 -5.926 1.00 0.00 N ATOM 1010 CD2 HIS A 61 6.048 -26.689 -4.380 1.00 0.00 C ATOM 1011 CE1 HIS A 61 6.441 -25.199 -5.932 1.00 0.00 C ATOM 1012 NE2 HIS A 61 7.014 -25.939 -5.003 1.00 0.00 N ATOM 0 H HIS A 61 3.063 -24.239 -3.176 1.00 0.00 H new ATOM 0 HA HIS A 61 1.822 -26.837 -3.361 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.533 -27.984 -4.561 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.866 -26.727 -5.584 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.205 -27.394 -3.577 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.948 -24.507 -6.588 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.010 -25.952 -4.784 1.00 0.00 H new ATOM 1021 N HIS A 62 3.281 -27.452 -1.416 1.00 0.00 N ATOM 1022 CA HIS A 62 4.004 -27.689 -0.177 1.00 0.00 C ATOM 1023 C HIS A 62 4.699 -29.042 -0.237 1.00 0.00 C ATOM 1024 O HIS A 62 4.063 -30.060 0.115 1.00 0.00 O ATOM 1025 CB HIS A 62 3.048 -27.622 1.017 1.00 0.00 C ATOM 1026 CG HIS A 62 3.735 -27.567 2.350 1.00 0.00 C ATOM 1027 ND1 HIS A 62 3.860 -28.656 3.181 1.00 0.00 N ATOM 1028 CD2 HIS A 62 4.317 -26.533 3.000 1.00 0.00 C ATOM 1029 CE1 HIS A 62 4.485 -28.295 4.285 1.00 0.00 C ATOM 1030 NE2 HIS A 62 4.772 -27.011 4.201 1.00 0.00 N ATOM 1031 OXT HIS A 62 5.870 -29.083 -0.665 1.00 0.00 O ATOM 0 H HIS A 62 2.530 -28.117 -1.602 1.00 0.00 H new ATOM 0 HA HIS A 62 4.760 -26.914 -0.050 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.413 -26.743 0.911 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.393 -28.493 0.994 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.406 -25.519 2.639 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.722 -28.942 5.117 1.00 0.00 H new ATOM 0 HE2 HIS A 62 5.254 -26.463 4.914 1.00 0.00 H new TER 1040 HIS A 62