USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=10 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 54 GLN : amide:sc= -0.183 X(o=-0.19,f=-0.1) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -0.0102 X(o=-0.19,f=-0.1) USER MOD Set 2.1: A 2 ASN : amide:sc= 0.899 K(o=2.2,f=-5.5) USER MOD Set 2.2: A 25 LYS NZ :NH3+ 156:sc= 1.35 (180deg=-0.374!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.06 (180deg=0.653) USER MOD Single : A 6 THR OG1 : rot -85:sc= 0.423 USER MOD Single : A 7 SER OG : rot 180:sc= 0.0138 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 77:sc= 0.985 USER MOD Single : A 12 LYS NZ :NH3+ 152:sc= 1.25 (180deg=1.16) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0379 K(o=-0.038,f=-1.3!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN :FLIP amide:sc= 0.441 F(o=-1.1,f=0.44) USER MOD Single : A 30 GLN : amide:sc= -0.515 K(o=-0.52,f=-1.5) USER MOD Single : A 34 GLN :FLIP amide:sc=-0.000384 F(o=-1.2,f=-0.00038) USER MOD Single : A 37 GLN : amide:sc= -0.0072 K(o=-0.0072,f=-0.93) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.562 USER MOD Single : A 47 GLN : amide:sc= 0.43 K(o=0.43,f=-0.59) USER MOD Single : A 57 HIS : no HD1:sc= -0.537 X(o=-0.54,f=-0.27) USER MOD Single : A 58 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.089) USER MOD Single : A 60 HIS : no HD1:sc= -0.0015 X(o=-0.0015,f=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.931 11.746 -5.522 1.00 0.00 N ATOM 2 CA MET A 1 -7.999 11.122 -6.488 1.00 0.00 C ATOM 3 C MET A 1 -6.750 10.645 -5.762 1.00 0.00 C ATOM 4 O MET A 1 -5.889 11.458 -5.418 1.00 0.00 O ATOM 5 CB MET A 1 -7.619 12.114 -7.598 1.00 0.00 C ATOM 6 CG MET A 1 -8.791 12.551 -8.469 1.00 0.00 C ATOM 7 SD MET A 1 -10.022 13.516 -7.564 1.00 0.00 S ATOM 8 CE MET A 1 -11.228 13.821 -8.853 1.00 0.00 C ATOM 0 H1 MET A 1 -9.611 12.344 -6.033 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.443 11.003 -5.005 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.394 12.329 -4.849 1.00 0.00 H new ATOM 0 HA MET A 1 -8.496 10.268 -6.949 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.169 12.997 -7.143 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.858 11.659 -8.232 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.415 13.143 -9.304 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.270 11.669 -8.894 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.052 14.408 -8.448 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.758 14.370 -9.669 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.609 12.871 -9.227 1.00 0.00 H new ATOM 20 N ASN A 2 -6.666 9.330 -5.522 1.00 0.00 N ATOM 21 CA ASN A 2 -5.576 8.738 -4.731 1.00 0.00 C ATOM 22 C ASN A 2 -5.614 9.224 -3.284 1.00 0.00 C ATOM 23 O ASN A 2 -6.174 10.279 -2.972 1.00 0.00 O ATOM 24 CB ASN A 2 -4.198 9.049 -5.341 1.00 0.00 C ATOM 25 CG ASN A 2 -3.864 8.172 -6.533 1.00 0.00 C ATOM 26 OD1 ASN A 2 -4.259 7.008 -6.600 1.00 0.00 O ATOM 27 ND2 ASN A 2 -3.124 8.722 -7.483 1.00 0.00 N ATOM 0 H ASN A 2 -7.344 8.651 -5.867 1.00 0.00 H new ATOM 0 HA ASN A 2 -5.728 7.659 -4.747 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.171 10.095 -5.648 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.431 8.921 -4.577 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.863 8.178 -8.305 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.815 9.690 -7.393 1.00 0.00 H new ATOM 34 N LEU A 3 -5.043 8.439 -2.391 1.00 0.00 N ATOM 35 CA LEU A 3 -4.891 8.870 -1.015 1.00 0.00 C ATOM 36 C LEU A 3 -3.530 9.522 -0.837 1.00 0.00 C ATOM 37 O LEU A 3 -2.754 9.620 -1.792 1.00 0.00 O ATOM 38 CB LEU A 3 -5.052 7.694 -0.053 1.00 0.00 C ATOM 39 CG LEU A 3 -6.444 7.059 -0.028 1.00 0.00 C ATOM 40 CD1 LEU A 3 -6.541 6.029 1.083 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.522 8.120 0.141 1.00 0.00 C ATOM 0 H LEU A 3 -4.679 7.507 -2.591 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.671 9.596 -0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.325 6.926 -0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.806 8.032 0.954 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.603 6.558 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.538 5.589 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.799 5.247 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.355 6.511 2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.502 7.644 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.364 8.654 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.473 8.824 -0.690 1.00 0.00 H new ATOM 53 N ARG A 4 -3.241 9.992 0.363 1.00 0.00 N ATOM 54 CA ARG A 4 -1.947 10.583 0.636 1.00 0.00 C ATOM 55 C ARG A 4 -0.902 9.519 0.884 1.00 0.00 C ATOM 56 O ARG A 4 -0.915 8.825 1.900 1.00 0.00 O ATOM 57 CB ARG A 4 -1.993 11.549 1.809 1.00 0.00 C ATOM 58 CG ARG A 4 -2.464 12.932 1.420 1.00 0.00 C ATOM 59 CD ARG A 4 -2.057 13.959 2.458 1.00 0.00 C ATOM 60 NE ARG A 4 -0.604 14.024 2.625 1.00 0.00 N ATOM 61 CZ ARG A 4 0.115 15.131 2.461 1.00 0.00 C ATOM 62 NH1 ARG A 4 -0.464 16.245 2.029 1.00 0.00 N ATOM 63 NH2 ARG A 4 1.423 15.107 2.688 1.00 0.00 N ATOM 0 H ARG A 4 -3.880 9.976 1.157 1.00 0.00 H new ATOM 0 HA ARG A 4 -1.671 11.150 -0.253 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.656 11.148 2.576 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -1.000 11.621 2.252 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.044 13.203 0.451 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.548 12.932 1.309 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.432 14.939 2.165 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.521 13.713 3.413 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.113 13.168 2.883 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -1.463 16.253 1.822 1.00 0.00 H new ATOM 0 HH12 ARG A 4 0.090 17.092 1.904 1.00 0.00 H new ATOM 0 HH21 ARG A 4 1.873 14.242 2.987 1.00 0.00 H new ATOM 0 HH22 ARG A 4 1.978 15.954 2.563 1.00 0.00 H new ATOM 77 N TRP A 5 0.011 9.409 -0.053 1.00 0.00 N ATOM 78 CA TRP A 5 1.086 8.451 0.045 1.00 0.00 C ATOM 79 C TRP A 5 2.318 9.116 0.620 1.00 0.00 C ATOM 80 O TRP A 5 2.804 10.120 0.095 1.00 0.00 O ATOM 81 CB TRP A 5 1.395 7.836 -1.322 1.00 0.00 C ATOM 82 CG TRP A 5 0.320 6.913 -1.803 1.00 0.00 C ATOM 83 CD1 TRP A 5 -0.918 7.255 -2.264 1.00 0.00 C ATOM 84 CD2 TRP A 5 0.389 5.486 -1.862 1.00 0.00 C ATOM 85 NE1 TRP A 5 -1.627 6.127 -2.594 1.00 0.00 N ATOM 86 CE2 TRP A 5 -0.843 5.027 -2.359 1.00 0.00 C ATOM 87 CE3 TRP A 5 1.376 4.554 -1.535 1.00 0.00 C ATOM 88 CZ2 TRP A 5 -1.111 3.675 -2.542 1.00 0.00 C ATOM 89 CZ3 TRP A 5 1.108 3.211 -1.718 1.00 0.00 C ATOM 90 CH2 TRP A 5 -0.128 2.784 -2.216 1.00 0.00 C ATOM 0 H TRP A 5 0.029 9.978 -0.900 1.00 0.00 H new ATOM 0 HA TRP A 5 0.775 7.647 0.712 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.534 8.635 -2.051 1.00 0.00 H new ATOM 0 HB3 TRP A 5 2.337 7.290 -1.264 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -1.286 8.266 -2.356 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.581 6.110 -2.955 1.00 0.00 H new ATOM 0 HE3 TRP A 5 2.331 4.877 -1.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -2.063 3.341 -2.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 1.864 2.480 -1.473 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.309 1.727 -2.345 1.00 0.00 H new ATOM 101 N THR A 6 2.796 8.575 1.723 1.00 0.00 N ATOM 102 CA THR A 6 4.007 9.070 2.340 1.00 0.00 C ATOM 103 C THR A 6 5.203 8.739 1.456 1.00 0.00 C ATOM 104 O THR A 6 5.142 7.802 0.656 1.00 0.00 O ATOM 105 CB THR A 6 4.199 8.470 3.749 1.00 0.00 C ATOM 106 OG1 THR A 6 4.052 7.046 3.709 1.00 0.00 O ATOM 107 CG2 THR A 6 3.192 9.051 4.727 1.00 0.00 C ATOM 0 H THR A 6 2.362 7.791 2.210 1.00 0.00 H new ATOM 0 HA THR A 6 3.925 10.152 2.447 1.00 0.00 H new ATOM 0 HB THR A 6 5.205 8.722 4.085 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.103 6.813 3.786 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.348 8.613 5.713 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.323 10.131 4.786 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.182 8.826 4.385 1.00 0.00 H new ATOM 115 N SER A 7 6.275 9.510 1.577 1.00 0.00 N ATOM 116 CA SER A 7 7.465 9.288 0.767 1.00 0.00 C ATOM 117 C SER A 7 8.002 7.871 0.979 1.00 0.00 C ATOM 118 O SER A 7 8.495 7.227 0.049 1.00 0.00 O ATOM 119 CB SER A 7 8.526 10.333 1.110 1.00 0.00 C ATOM 120 OG SER A 7 8.609 10.531 2.514 1.00 0.00 O ATOM 0 H SER A 7 6.345 10.293 2.227 1.00 0.00 H new ATOM 0 HA SER A 7 7.203 9.391 -0.286 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.495 10.013 0.726 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.285 11.276 0.620 1.00 0.00 H new ATOM 0 HG SER A 7 9.295 11.202 2.710 1.00 0.00 H new ATOM 126 N GLU A 8 7.858 7.383 2.202 1.00 0.00 N ATOM 127 CA GLU A 8 8.271 6.033 2.547 1.00 0.00 C ATOM 128 C GLU A 8 7.341 5.008 1.898 1.00 0.00 C ATOM 129 O GLU A 8 7.790 3.974 1.403 1.00 0.00 O ATOM 130 CB GLU A 8 8.269 5.880 4.066 1.00 0.00 C ATOM 131 CG GLU A 8 9.174 6.878 4.763 1.00 0.00 C ATOM 132 CD GLU A 8 8.896 6.982 6.245 1.00 0.00 C ATOM 133 OE1 GLU A 8 7.947 7.703 6.621 1.00 0.00 O ATOM 134 OE2 GLU A 8 9.624 6.351 7.040 1.00 0.00 O ATOM 0 H GLU A 8 7.454 7.908 2.978 1.00 0.00 H new ATOM 0 HA GLU A 8 9.279 5.855 2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.251 6.000 4.436 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.585 4.869 4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.213 6.587 4.612 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.048 7.859 4.304 1.00 0.00 H new ATOM 141 N ALA A 9 6.042 5.312 1.883 1.00 0.00 N ATOM 142 CA ALA A 9 5.052 4.423 1.279 1.00 0.00 C ATOM 143 C ALA A 9 5.267 4.307 -0.222 1.00 0.00 C ATOM 144 O ALA A 9 5.205 3.211 -0.780 1.00 0.00 O ATOM 145 CB ALA A 9 3.640 4.908 1.572 1.00 0.00 C ATOM 0 H ALA A 9 5.653 6.166 2.282 1.00 0.00 H new ATOM 0 HA ALA A 9 5.179 3.435 1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.920 4.231 1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.480 4.931 2.650 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.507 5.910 1.164 1.00 0.00 H new ATOM 151 N LYS A 10 5.517 5.441 -0.872 1.00 0.00 N ATOM 152 CA LYS A 10 5.827 5.457 -2.297 1.00 0.00 C ATOM 153 C LYS A 10 6.997 4.528 -2.601 1.00 0.00 C ATOM 154 O LYS A 10 6.947 3.748 -3.548 1.00 0.00 O ATOM 155 CB LYS A 10 6.168 6.877 -2.765 1.00 0.00 C ATOM 156 CG LYS A 10 5.059 7.887 -2.531 1.00 0.00 C ATOM 157 CD LYS A 10 5.479 9.279 -2.982 1.00 0.00 C ATOM 158 CE LYS A 10 4.432 10.318 -2.617 1.00 0.00 C ATOM 159 NZ LYS A 10 4.857 11.692 -2.989 1.00 0.00 N ATOM 0 H LYS A 10 5.511 6.362 -0.433 1.00 0.00 H new ATOM 0 HA LYS A 10 4.944 5.110 -2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.067 7.213 -2.248 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.403 6.851 -3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.164 7.581 -3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.799 7.908 -1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.431 9.541 -2.520 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.636 9.282 -4.061 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.495 10.080 -3.120 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.238 10.276 -1.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.114 12.369 -2.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.738 11.930 -2.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.017 11.740 -4.015 1.00 0.00 H new ATOM 173 N THR A 11 8.034 4.613 -1.780 1.00 0.00 N ATOM 174 CA THR A 11 9.217 3.783 -1.942 1.00 0.00 C ATOM 175 C THR A 11 8.874 2.298 -1.786 1.00 0.00 C ATOM 176 O THR A 11 9.368 1.450 -2.534 1.00 0.00 O ATOM 177 CB THR A 11 10.300 4.187 -0.924 1.00 0.00 C ATOM 178 OG1 THR A 11 10.536 5.599 -1.014 1.00 0.00 O ATOM 179 CG2 THR A 11 11.601 3.440 -1.175 1.00 0.00 C ATOM 0 H THR A 11 8.079 5.255 -0.988 1.00 0.00 H new ATOM 0 HA THR A 11 9.602 3.940 -2.949 1.00 0.00 H new ATOM 0 HB THR A 11 9.945 3.928 0.073 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.809 6.081 -0.567 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.345 3.748 -0.440 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.427 2.367 -1.089 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.965 3.669 -2.177 1.00 0.00 H new ATOM 187 N LYS A 12 8.005 1.998 -0.826 1.00 0.00 N ATOM 188 CA LYS A 12 7.552 0.629 -0.596 1.00 0.00 C ATOM 189 C LYS A 12 6.705 0.128 -1.763 1.00 0.00 C ATOM 190 O LYS A 12 6.823 -1.029 -2.170 1.00 0.00 O ATOM 191 CB LYS A 12 6.752 0.540 0.709 1.00 0.00 C ATOM 192 CG LYS A 12 7.607 0.614 1.962 1.00 0.00 C ATOM 193 CD LYS A 12 8.418 -0.655 2.152 1.00 0.00 C ATOM 194 CE LYS A 12 9.298 -0.571 3.386 1.00 0.00 C ATOM 195 NZ LYS A 12 10.030 -1.838 3.635 1.00 0.00 N ATOM 0 H LYS A 12 7.599 2.686 -0.192 1.00 0.00 H new ATOM 0 HA LYS A 12 8.434 -0.006 -0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.021 1.349 0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.193 -0.395 0.718 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.278 1.471 1.897 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.969 0.774 2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.746 -1.508 2.240 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.038 -0.827 1.272 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.013 0.243 3.267 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.684 -0.331 4.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.919 -1.633 4.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.443 -2.469 4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.241 -2.301 2.728 1.00 0.00 H new ATOM 209 N LEU A 13 5.862 1.005 -2.302 1.00 0.00 N ATOM 210 CA LEU A 13 5.002 0.653 -3.428 1.00 0.00 C ATOM 211 C LEU A 13 5.845 0.319 -4.656 1.00 0.00 C ATOM 212 O LEU A 13 5.485 -0.537 -5.460 1.00 0.00 O ATOM 213 CB LEU A 13 4.031 1.801 -3.748 1.00 0.00 C ATOM 214 CG LEU A 13 2.924 1.460 -4.753 1.00 0.00 C ATOM 215 CD1 LEU A 13 2.010 0.381 -4.192 1.00 0.00 C ATOM 216 CD2 LEU A 13 2.118 2.705 -5.119 1.00 0.00 C ATOM 0 H LEU A 13 5.756 1.966 -1.976 1.00 0.00 H new ATOM 0 HA LEU A 13 4.419 -0.226 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.567 2.132 -2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.604 2.643 -4.136 1.00 0.00 H new ATOM 0 HG LEU A 13 3.394 1.081 -5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.230 0.151 -4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.591 -0.518 -3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.553 0.736 -3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.339 2.437 -5.833 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.660 3.119 -4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.779 3.448 -5.565 1.00 0.00 H new ATOM 228 N LYS A 14 6.992 0.979 -4.771 1.00 0.00 N ATOM 229 CA LYS A 14 7.899 0.764 -5.897 1.00 0.00 C ATOM 230 C LYS A 14 8.664 -0.552 -5.752 1.00 0.00 C ATOM 231 O LYS A 14 9.386 -0.962 -6.660 1.00 0.00 O ATOM 232 CB LYS A 14 8.878 1.933 -6.014 1.00 0.00 C ATOM 233 CG LYS A 14 8.207 3.260 -6.331 1.00 0.00 C ATOM 234 CD LYS A 14 9.179 4.419 -6.198 1.00 0.00 C ATOM 235 CE LYS A 14 8.497 5.754 -6.462 1.00 0.00 C ATOM 236 NZ LYS A 14 9.391 6.901 -6.149 1.00 0.00 N ATOM 0 H LYS A 14 7.318 1.671 -4.096 1.00 0.00 H new ATOM 0 HA LYS A 14 7.300 0.705 -6.806 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.430 2.029 -5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.607 1.709 -6.793 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.806 3.234 -7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.363 3.412 -5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.609 4.421 -5.196 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.003 4.286 -6.899 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.191 5.806 -7.507 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.591 5.825 -5.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.892 7.793 -6.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.663 6.866 -5.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.244 6.848 -6.741 1.00 0.00 H new ATOM 250 N ASN A 15 8.510 -1.207 -4.606 1.00 0.00 N ATOM 251 CA ASN A 15 9.117 -2.517 -4.391 1.00 0.00 C ATOM 252 C ASN A 15 8.176 -3.616 -4.860 1.00 0.00 C ATOM 253 O ASN A 15 8.567 -4.777 -4.985 1.00 0.00 O ATOM 254 CB ASN A 15 9.470 -2.738 -2.916 1.00 0.00 C ATOM 255 CG ASN A 15 10.685 -1.946 -2.470 1.00 0.00 C ATOM 256 OD1 ASN A 15 11.566 -1.637 -3.270 1.00 0.00 O ATOM 257 ND2 ASN A 15 10.755 -1.633 -1.186 1.00 0.00 N ATOM 0 H ASN A 15 7.972 -0.854 -3.814 1.00 0.00 H new ATOM 0 HA ASN A 15 10.039 -2.552 -4.972 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.616 -2.460 -2.299 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.653 -3.799 -2.747 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.560 -1.118 -0.830 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.004 -1.907 -0.553 1.00 0.00 H new ATOM 264 N ILE A 16 6.931 -3.240 -5.113 1.00 0.00 N ATOM 265 CA ILE A 16 5.930 -4.175 -5.590 1.00 0.00 C ATOM 266 C ILE A 16 5.962 -4.234 -7.116 1.00 0.00 C ATOM 267 O ILE A 16 6.037 -3.194 -7.772 1.00 0.00 O ATOM 268 CB ILE A 16 4.520 -3.756 -5.111 1.00 0.00 C ATOM 269 CG1 ILE A 16 4.528 -3.518 -3.596 1.00 0.00 C ATOM 270 CG2 ILE A 16 3.485 -4.814 -5.479 1.00 0.00 C ATOM 271 CD1 ILE A 16 3.203 -3.038 -3.043 1.00 0.00 C ATOM 0 H ILE A 16 6.591 -2.286 -4.994 1.00 0.00 H new ATOM 0 HA ILE A 16 6.155 -5.161 -5.184 1.00 0.00 H new ATOM 0 HB ILE A 16 4.247 -2.827 -5.612 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.806 -4.445 -3.094 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.297 -2.784 -3.358 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.502 -4.497 -5.132 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.464 -4.942 -6.561 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.749 -5.761 -5.007 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.289 -2.893 -1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.932 -2.094 -3.516 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.432 -3.781 -3.248 1.00 0.00 H new ATOM 283 N PRO A 17 5.940 -5.449 -7.699 1.00 0.00 N ATOM 284 CA PRO A 17 5.923 -5.628 -9.156 1.00 0.00 C ATOM 285 C PRO A 17 4.798 -4.835 -9.807 1.00 0.00 C ATOM 286 O PRO A 17 3.651 -4.935 -9.385 1.00 0.00 O ATOM 287 CB PRO A 17 5.691 -7.129 -9.334 1.00 0.00 C ATOM 288 CG PRO A 17 6.185 -7.746 -8.073 1.00 0.00 C ATOM 289 CD PRO A 17 5.932 -6.739 -6.986 1.00 0.00 C ATOM 0 HA PRO A 17 6.841 -5.274 -9.625 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.636 -7.349 -9.494 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.232 -7.512 -10.199 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.664 -8.681 -7.867 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.247 -7.982 -8.145 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.978 -6.917 -6.489 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.704 -6.777 -6.217 1.00 0.00 H new ATOM 297 N PHE A 18 5.134 -4.061 -10.839 1.00 0.00 N ATOM 298 CA PHE A 18 4.188 -3.142 -11.481 1.00 0.00 C ATOM 299 C PHE A 18 2.880 -3.830 -11.879 1.00 0.00 C ATOM 300 O PHE A 18 1.815 -3.209 -11.857 1.00 0.00 O ATOM 301 CB PHE A 18 4.829 -2.476 -12.708 1.00 0.00 C ATOM 302 CG PHE A 18 5.137 -3.415 -13.843 1.00 0.00 C ATOM 303 CD1 PHE A 18 6.289 -4.183 -13.836 1.00 0.00 C ATOM 304 CD2 PHE A 18 4.272 -3.522 -14.921 1.00 0.00 C ATOM 305 CE1 PHE A 18 6.574 -5.038 -14.881 1.00 0.00 C ATOM 306 CE2 PHE A 18 4.554 -4.375 -15.971 1.00 0.00 C ATOM 307 CZ PHE A 18 5.705 -5.135 -15.948 1.00 0.00 C ATOM 0 H PHE A 18 6.066 -4.052 -11.254 1.00 0.00 H new ATOM 0 HA PHE A 18 3.941 -2.379 -10.743 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.161 -1.695 -13.071 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.752 -1.987 -12.398 1.00 0.00 H new ATOM 0 HD1 PHE A 18 6.973 -4.112 -13.003 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.368 -2.932 -14.940 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.477 -5.631 -14.864 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.875 -4.446 -16.808 1.00 0.00 H new ATOM 0 HZ PHE A 18 5.926 -5.806 -16.765 1.00 0.00 H new ATOM 317 N PHE A 19 2.959 -5.111 -12.224 1.00 0.00 N ATOM 318 CA PHE A 19 1.784 -5.872 -12.636 1.00 0.00 C ATOM 319 C PHE A 19 0.771 -5.995 -11.496 1.00 0.00 C ATOM 320 O PHE A 19 -0.437 -5.960 -11.718 1.00 0.00 O ATOM 321 CB PHE A 19 2.202 -7.263 -13.125 1.00 0.00 C ATOM 322 CG PHE A 19 1.043 -8.185 -13.397 1.00 0.00 C ATOM 323 CD1 PHE A 19 0.160 -7.925 -14.433 1.00 0.00 C ATOM 324 CD2 PHE A 19 0.835 -9.308 -12.611 1.00 0.00 C ATOM 325 CE1 PHE A 19 -0.907 -8.766 -14.679 1.00 0.00 C ATOM 326 CE2 PHE A 19 -0.231 -10.154 -12.856 1.00 0.00 C ATOM 327 CZ PHE A 19 -1.103 -9.882 -13.890 1.00 0.00 C ATOM 0 H PHE A 19 3.828 -5.646 -12.226 1.00 0.00 H new ATOM 0 HA PHE A 19 1.304 -5.334 -13.453 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.791 -7.156 -14.036 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.851 -7.721 -12.378 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.308 -7.055 -15.055 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.513 -9.524 -11.799 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.588 -8.551 -15.489 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.381 -11.027 -12.238 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.937 -10.541 -14.082 1.00 0.00 H new ATOM 337 N ALA A 20 1.272 -6.122 -10.276 1.00 0.00 N ATOM 338 CA ALA A 20 0.414 -6.315 -9.116 1.00 0.00 C ATOM 339 C ALA A 20 0.491 -5.116 -8.183 1.00 0.00 C ATOM 340 O ALA A 20 -0.087 -5.121 -7.096 1.00 0.00 O ATOM 341 CB ALA A 20 0.811 -7.584 -8.379 1.00 0.00 C ATOM 0 H ALA A 20 2.269 -6.095 -10.064 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.616 -6.413 -9.460 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.163 -7.719 -7.513 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.708 -8.440 -9.046 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.847 -7.504 -8.049 1.00 0.00 H new ATOM 347 N ARG A 21 1.193 -4.078 -8.622 1.00 0.00 N ATOM 348 CA ARG A 21 1.431 -2.914 -7.787 1.00 0.00 C ATOM 349 C ARG A 21 0.137 -2.155 -7.540 1.00 0.00 C ATOM 350 O ARG A 21 -0.172 -1.798 -6.408 1.00 0.00 O ATOM 351 CB ARG A 21 2.457 -1.976 -8.422 1.00 0.00 C ATOM 352 CG ARG A 21 3.061 -1.006 -7.425 1.00 0.00 C ATOM 353 CD ARG A 21 3.586 0.250 -8.093 1.00 0.00 C ATOM 354 NE ARG A 21 4.617 -0.019 -9.091 1.00 0.00 N ATOM 355 CZ ARG A 21 4.664 0.586 -10.275 1.00 0.00 C ATOM 356 NH1 ARG A 21 3.671 1.382 -10.652 1.00 0.00 N ATOM 357 NH2 ARG A 21 5.690 0.369 -11.088 1.00 0.00 N ATOM 0 H ARG A 21 1.606 -4.022 -9.553 1.00 0.00 H new ATOM 0 HA ARG A 21 1.826 -3.272 -6.836 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.253 -2.568 -8.874 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.981 -1.415 -9.226 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.309 -0.734 -6.684 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.873 -1.497 -6.889 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.757 0.775 -8.568 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.991 0.917 -7.332 1.00 0.00 H new ATOM 0 HE ARG A 21 5.338 -0.706 -8.869 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.873 1.529 -10.034 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.706 1.846 -11.560 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.441 -0.261 -10.805 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.728 0.832 -11.996 1.00 0.00 H new ATOM 371 N SER A 22 -0.619 -1.919 -8.601 1.00 0.00 N ATOM 372 CA SER A 22 -1.870 -1.187 -8.493 1.00 0.00 C ATOM 373 C SER A 22 -2.912 -2.016 -7.747 1.00 0.00 C ATOM 374 O SER A 22 -3.763 -1.473 -7.043 1.00 0.00 O ATOM 375 CB SER A 22 -2.377 -0.808 -9.883 1.00 0.00 C ATOM 376 OG SER A 22 -1.389 -0.075 -10.595 1.00 0.00 O ATOM 0 H SER A 22 -0.388 -2.224 -9.546 1.00 0.00 H new ATOM 0 HA SER A 22 -1.694 -0.273 -7.926 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.639 -1.709 -10.438 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.286 -0.212 -9.794 1.00 0.00 H new ATOM 0 HG SER A 22 -1.731 0.157 -11.483 1.00 0.00 H new ATOM 382 N GLN A 23 -2.829 -3.333 -7.900 1.00 0.00 N ATOM 383 CA GLN A 23 -3.693 -4.249 -7.167 1.00 0.00 C ATOM 384 C GLN A 23 -3.424 -4.131 -5.669 1.00 0.00 C ATOM 385 O GLN A 23 -4.348 -3.960 -4.866 1.00 0.00 O ATOM 386 CB GLN A 23 -3.456 -5.685 -7.647 1.00 0.00 C ATOM 387 CG GLN A 23 -4.320 -6.719 -6.946 1.00 0.00 C ATOM 388 CD GLN A 23 -4.104 -8.123 -7.476 1.00 0.00 C ATOM 389 OE1 GLN A 23 -3.764 -8.234 -8.752 1.00 0.00 O flip ATOM 390 NE2 GLN A 23 -4.244 -9.102 -6.746 1.00 0.00 N flip ATOM 0 H GLN A 23 -2.169 -3.791 -8.528 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.735 -3.988 -7.353 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.645 -5.735 -8.719 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.407 -5.940 -7.496 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.104 -6.702 -5.878 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.369 -6.449 -7.064 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.507 -8.976 -5.768 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.098 -10.040 -7.118 1.00 0.00 H new ATOM 399 N ALA A 24 -2.149 -4.205 -5.300 1.00 0.00 N ATOM 400 CA ALA A 24 -1.749 -4.038 -3.915 1.00 0.00 C ATOM 401 C ALA A 24 -2.110 -2.640 -3.433 1.00 0.00 C ATOM 402 O ALA A 24 -2.635 -2.471 -2.338 1.00 0.00 O ATOM 403 CB ALA A 24 -0.257 -4.293 -3.757 1.00 0.00 C ATOM 0 H ALA A 24 -1.378 -4.380 -5.944 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.284 -4.765 -3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.026 -4.163 -2.712 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.027 -5.311 -4.072 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.300 -3.588 -4.374 1.00 0.00 H new ATOM 409 N LYS A 25 -1.847 -1.653 -4.280 1.00 0.00 N ATOM 410 CA LYS A 25 -2.146 -0.255 -3.990 1.00 0.00 C ATOM 411 C LYS A 25 -3.627 -0.051 -3.677 1.00 0.00 C ATOM 412 O LYS A 25 -3.972 0.686 -2.749 1.00 0.00 O ATOM 413 CB LYS A 25 -1.698 0.609 -5.175 1.00 0.00 C ATOM 414 CG LYS A 25 -2.284 2.009 -5.218 1.00 0.00 C ATOM 415 CD LYS A 25 -1.488 2.893 -6.163 1.00 0.00 C ATOM 416 CE LYS A 25 -2.304 4.067 -6.664 1.00 0.00 C ATOM 417 NZ LYS A 25 -2.873 4.883 -5.559 1.00 0.00 N ATOM 0 H LYS A 25 -1.418 -1.800 -5.193 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.597 0.049 -3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.611 0.689 -5.154 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.962 0.094 -6.099 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.324 1.964 -5.542 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.281 2.441 -4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.598 3.261 -5.652 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.146 2.301 -7.012 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.676 4.700 -7.291 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.115 3.699 -7.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.058 5.848 -5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.763 4.454 -5.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.197 4.918 -4.770 1.00 0.00 H new ATOM 431 N ALA A 26 -4.492 -0.720 -4.428 1.00 0.00 N ATOM 432 CA ALA A 26 -5.927 -0.655 -4.181 1.00 0.00 C ATOM 433 C ALA A 26 -6.260 -1.187 -2.791 1.00 0.00 C ATOM 434 O ALA A 26 -7.117 -0.641 -2.092 1.00 0.00 O ATOM 435 CB ALA A 26 -6.684 -1.438 -5.244 1.00 0.00 C ATOM 0 H ALA A 26 -4.225 -1.314 -5.213 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.236 0.389 -4.231 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.754 -1.380 -5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.474 -1.015 -6.226 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.367 -2.481 -5.222 1.00 0.00 H new ATOM 441 N ARG A 27 -5.568 -2.247 -2.389 1.00 0.00 N ATOM 442 CA ARG A 27 -5.752 -2.815 -1.062 1.00 0.00 C ATOM 443 C ARG A 27 -5.141 -1.909 0.005 1.00 0.00 C ATOM 444 O ARG A 27 -5.730 -1.716 1.063 1.00 0.00 O ATOM 445 CB ARG A 27 -5.144 -4.218 -0.992 1.00 0.00 C ATOM 446 CG ARG A 27 -5.377 -4.927 0.333 1.00 0.00 C ATOM 447 CD ARG A 27 -5.040 -6.406 0.230 1.00 0.00 C ATOM 448 NE ARG A 27 -5.203 -7.110 1.501 1.00 0.00 N ATOM 449 CZ ARG A 27 -6.203 -7.952 1.770 1.00 0.00 C ATOM 450 NH1 ARG A 27 -7.184 -8.140 0.891 1.00 0.00 N ATOM 451 NH2 ARG A 27 -6.222 -8.609 2.916 1.00 0.00 N ATOM 0 H ARG A 27 -4.876 -2.729 -2.963 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.822 -2.893 -0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.562 -4.825 -1.795 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.071 -4.147 -1.171 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.766 -4.465 1.108 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.418 -4.808 0.634 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.679 -6.869 -0.522 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.012 -6.517 -0.113 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.508 -6.947 2.229 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.176 -7.639 0.003 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.944 -8.786 1.105 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.473 -8.473 3.595 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.986 -9.253 3.122 1.00 0.00 H new ATOM 465 N ILE A 28 -3.971 -1.347 -0.286 1.00 0.00 N ATOM 466 CA ILE A 28 -3.297 -0.433 0.638 1.00 0.00 C ATOM 467 C ILE A 28 -4.194 0.753 0.977 1.00 0.00 C ATOM 468 O ILE A 28 -4.428 1.059 2.149 1.00 0.00 O ATOM 469 CB ILE A 28 -1.972 0.100 0.046 1.00 0.00 C ATOM 470 CG1 ILE A 28 -1.023 -1.057 -0.267 1.00 0.00 C ATOM 471 CG2 ILE A 28 -1.313 1.083 1.008 1.00 0.00 C ATOM 472 CD1 ILE A 28 0.177 -0.654 -1.093 1.00 0.00 C ATOM 0 H ILE A 28 -3.466 -1.508 -1.158 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.078 -1.002 1.542 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.197 0.625 -0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.678 -1.495 0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.574 -1.833 -0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.382 1.448 0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.984 1.923 1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.102 0.582 1.952 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.804 -1.527 -1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.158 -0.244 -2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.752 0.100 -0.555 1.00 0.00 H new ATOM 484 N GLU A 29 -4.700 1.409 -0.057 1.00 0.00 N ATOM 485 CA GLU A 29 -5.564 2.563 0.126 1.00 0.00 C ATOM 486 C GLU A 29 -6.896 2.145 0.740 1.00 0.00 C ATOM 487 O GLU A 29 -7.555 2.935 1.411 1.00 0.00 O ATOM 488 CB GLU A 29 -5.765 3.286 -1.211 1.00 0.00 C ATOM 489 CG GLU A 29 -4.462 3.835 -1.778 1.00 0.00 C ATOM 490 CD GLU A 29 -4.628 4.545 -3.105 1.00 0.00 C ATOM 491 OE1 GLU A 29 -4.920 3.872 -4.115 1.00 0.00 O ATOM 492 OE2 GLU A 29 -4.419 5.777 -3.164 1.00 0.00 O ATOM 0 H GLU A 29 -4.526 1.161 -1.031 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.087 3.257 0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.209 2.597 -1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.472 4.104 -1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.025 4.527 -1.058 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.755 3.015 -1.901 1.00 0.00 H new ATOM 499 N GLN A 30 -7.276 0.888 0.537 1.00 0.00 N ATOM 500 CA GLN A 30 -8.493 0.362 1.136 1.00 0.00 C ATOM 501 C GLN A 30 -8.293 0.146 2.632 1.00 0.00 C ATOM 502 O GLN A 30 -9.174 0.448 3.437 1.00 0.00 O ATOM 503 CB GLN A 30 -8.899 -0.952 0.471 1.00 0.00 C ATOM 504 CG GLN A 30 -10.379 -1.019 0.143 1.00 0.00 C ATOM 505 CD GLN A 30 -10.798 0.048 -0.853 1.00 0.00 C ATOM 506 OE1 GLN A 30 -11.926 0.543 -0.816 1.00 0.00 O ATOM 507 NE2 GLN A 30 -9.899 0.406 -1.761 1.00 0.00 N ATOM 0 H GLN A 30 -6.761 0.219 -0.035 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.290 1.089 0.984 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.323 -1.082 -0.445 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.641 -1.781 1.130 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.615 -2.003 -0.262 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.957 -0.904 1.060 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.975 -0.025 -1.761 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.132 1.113 -2.459 1.00 0.00 H new ATOM 516 N LEU A 31 -7.122 -0.371 2.993 1.00 0.00 N ATOM 517 CA LEU A 31 -6.754 -0.572 4.388 1.00 0.00 C ATOM 518 C LEU A 31 -6.776 0.756 5.138 1.00 0.00 C ATOM 519 O LEU A 31 -7.295 0.846 6.250 1.00 0.00 O ATOM 520 CB LEU A 31 -5.359 -1.203 4.474 1.00 0.00 C ATOM 521 CG LEU A 31 -5.240 -2.607 3.877 1.00 0.00 C ATOM 522 CD1 LEU A 31 -3.781 -2.955 3.627 1.00 0.00 C ATOM 523 CD2 LEU A 31 -5.874 -3.634 4.801 1.00 0.00 C ATOM 0 H LEU A 31 -6.405 -0.661 2.328 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.477 -1.244 4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.650 -0.549 3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.061 -1.245 5.522 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.771 -2.622 2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.713 -3.957 3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.350 -2.236 2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.233 -2.922 4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.780 -4.627 4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.368 -3.616 5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.929 -3.397 4.939 1.00 0.00 H new ATOM 535 N ALA A 32 -6.228 1.788 4.506 1.00 0.00 N ATOM 536 CA ALA A 32 -6.220 3.128 5.083 1.00 0.00 C ATOM 537 C ALA A 32 -7.640 3.637 5.300 1.00 0.00 C ATOM 538 O ALA A 32 -7.926 4.317 6.285 1.00 0.00 O ATOM 539 CB ALA A 32 -5.440 4.080 4.191 1.00 0.00 C ATOM 0 H ALA A 32 -5.782 1.722 3.591 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.729 3.080 6.055 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.442 5.076 4.633 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.413 3.728 4.093 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.905 4.119 3.206 1.00 0.00 H new ATOM 545 N ARG A 33 -8.534 3.284 4.382 1.00 0.00 N ATOM 546 CA ARG A 33 -9.936 3.661 4.500 1.00 0.00 C ATOM 547 C ARG A 33 -10.595 2.947 5.674 1.00 0.00 C ATOM 548 O ARG A 33 -11.477 3.499 6.326 1.00 0.00 O ATOM 549 CB ARG A 33 -10.697 3.358 3.212 1.00 0.00 C ATOM 550 CG ARG A 33 -10.223 4.168 2.019 1.00 0.00 C ATOM 551 CD ARG A 33 -11.177 4.029 0.849 1.00 0.00 C ATOM 552 NE ARG A 33 -12.495 4.561 1.177 1.00 0.00 N ATOM 553 CZ ARG A 33 -13.625 3.874 1.057 1.00 0.00 C ATOM 554 NH1 ARG A 33 -13.607 2.627 0.594 1.00 0.00 N ATOM 555 NH2 ARG A 33 -14.774 4.433 1.406 1.00 0.00 N ATOM 0 H ARG A 33 -8.312 2.738 3.550 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.973 4.736 4.679 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.597 2.297 2.982 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.758 3.551 3.373 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.138 5.218 2.299 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.228 3.835 1.722 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.774 4.556 -0.016 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.265 2.979 0.571 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.552 5.520 1.520 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.722 2.194 0.329 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.478 2.104 0.504 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.788 5.388 1.765 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.644 3.909 1.315 1.00 0.00 H new ATOM 569 N GLN A 34 -10.155 1.725 5.951 1.00 0.00 N ATOM 570 CA GLN A 34 -10.664 0.976 7.094 1.00 0.00 C ATOM 571 C GLN A 34 -10.179 1.613 8.393 1.00 0.00 C ATOM 572 O GLN A 34 -10.789 1.447 9.451 1.00 0.00 O ATOM 573 CB GLN A 34 -10.214 -0.484 7.034 1.00 0.00 C ATOM 574 CG GLN A 34 -10.665 -1.214 5.780 1.00 0.00 C ATOM 575 CD GLN A 34 -10.212 -2.660 5.753 1.00 0.00 C ATOM 576 OE1 GLN A 34 -9.094 -2.949 6.404 1.00 0.00 O flip ATOM 577 NE2 GLN A 34 -10.864 -3.516 5.155 1.00 0.00 N flip ATOM 0 H GLN A 34 -9.450 1.233 5.402 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.753 1.003 7.062 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.126 -0.522 7.094 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.600 -1.010 7.908 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.752 -1.176 5.713 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.274 -0.698 4.903 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.720 -3.255 4.665 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -10.548 -4.486 5.149 1.00 0.00 H new ATOM 586 N ALA A 35 -9.067 2.332 8.302 1.00 0.00 N ATOM 587 CA ALA A 35 -8.540 3.081 9.432 1.00 0.00 C ATOM 588 C ALA A 35 -9.093 4.504 9.432 1.00 0.00 C ATOM 589 O ALA A 35 -8.902 5.254 10.390 1.00 0.00 O ATOM 590 CB ALA A 35 -7.019 3.098 9.390 1.00 0.00 C ATOM 0 H ALA A 35 -8.511 2.411 7.451 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.855 2.591 10.353 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.638 3.662 10.241 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.642 2.076 9.434 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.686 3.568 8.465 1.00 0.00 H new ATOM 596 N GLU A 36 -9.772 4.856 8.340 1.00 0.00 N ATOM 597 CA GLU A 36 -10.388 6.171 8.174 1.00 0.00 C ATOM 598 C GLU A 36 -9.346 7.276 8.191 1.00 0.00 C ATOM 599 O GLU A 36 -9.521 8.314 8.828 1.00 0.00 O ATOM 600 CB GLU A 36 -11.462 6.414 9.235 1.00 0.00 C ATOM 601 CG GLU A 36 -12.768 5.703 8.934 1.00 0.00 C ATOM 602 CD GLU A 36 -13.508 6.302 7.749 1.00 0.00 C ATOM 603 OE1 GLU A 36 -12.919 6.407 6.653 1.00 0.00 O ATOM 604 OE2 GLU A 36 -14.689 6.678 7.910 1.00 0.00 O ATOM 0 H GLU A 36 -9.910 4.234 7.543 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.871 6.187 7.197 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.089 6.081 10.204 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.649 7.485 9.316 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.565 4.651 8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.409 5.743 9.815 1.00 0.00 H new ATOM 611 N GLN A 37 -8.263 7.044 7.473 1.00 0.00 N ATOM 612 CA GLN A 37 -7.233 8.046 7.307 1.00 0.00 C ATOM 613 C GLN A 37 -6.845 8.143 5.837 1.00 0.00 C ATOM 614 O GLN A 37 -6.915 7.157 5.102 1.00 0.00 O ATOM 615 CB GLN A 37 -6.014 7.719 8.179 1.00 0.00 C ATOM 616 CG GLN A 37 -5.358 6.387 7.850 1.00 0.00 C ATOM 617 CD GLN A 37 -4.281 6.009 8.847 1.00 0.00 C ATOM 618 OE1 GLN A 37 -4.364 6.349 10.029 1.00 0.00 O ATOM 619 NE2 GLN A 37 -3.253 5.321 8.377 1.00 0.00 N ATOM 0 H GLN A 37 -8.076 6.164 6.993 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.620 9.012 7.630 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.276 8.513 8.067 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.320 7.713 9.225 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.119 5.607 7.828 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.923 6.436 6.852 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.222 5.059 7.392 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.491 5.053 9.000 1.00 0.00 H new ATOM 628 N ASP A 38 -6.452 9.332 5.413 1.00 0.00 N ATOM 629 CA ASP A 38 -6.146 9.582 4.011 1.00 0.00 C ATOM 630 C ASP A 38 -4.683 9.271 3.750 1.00 0.00 C ATOM 631 O ASP A 38 -4.276 9.006 2.625 1.00 0.00 O ATOM 632 CB ASP A 38 -6.450 11.041 3.656 1.00 0.00 C ATOM 633 CG ASP A 38 -6.461 11.309 2.162 1.00 0.00 C ATOM 634 OD1 ASP A 38 -5.396 11.636 1.601 1.00 0.00 O ATOM 635 OD2 ASP A 38 -7.551 11.235 1.551 1.00 0.00 O ATOM 0 H ASP A 38 -6.336 10.143 6.020 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.766 8.939 3.387 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.419 11.314 4.074 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.707 11.684 4.127 1.00 0.00 H new ATOM 640 N ILE A 39 -3.902 9.282 4.817 1.00 0.00 N ATOM 641 CA ILE A 39 -2.471 9.055 4.728 1.00 0.00 C ATOM 642 C ILE A 39 -2.147 7.574 4.885 1.00 0.00 C ATOM 643 O ILE A 39 -2.509 6.951 5.884 1.00 0.00 O ATOM 644 CB ILE A 39 -1.721 9.858 5.810 1.00 0.00 C ATOM 645 CG1 ILE A 39 -2.041 11.347 5.677 1.00 0.00 C ATOM 646 CG2 ILE A 39 -0.221 9.624 5.714 1.00 0.00 C ATOM 647 CD1 ILE A 39 -1.564 12.176 6.846 1.00 0.00 C ATOM 0 H ILE A 39 -4.241 9.448 5.765 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.145 9.390 3.743 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.055 9.514 6.789 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.585 11.728 4.763 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.119 11.470 5.571 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.287 10.200 6.487 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.008 8.564 5.853 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.134 9.940 4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.826 13.221 6.682 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.039 11.822 7.761 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.482 12.084 6.940 1.00 0.00 H new ATOM 659 N VAL A 40 -1.475 7.014 3.891 1.00 0.00 N ATOM 660 CA VAL A 40 -1.042 5.629 3.962 1.00 0.00 C ATOM 661 C VAL A 40 0.412 5.556 4.422 1.00 0.00 C ATOM 662 O VAL A 40 1.269 6.328 3.975 1.00 0.00 O ATOM 663 CB VAL A 40 -1.202 4.892 2.611 1.00 0.00 C ATOM 664 CG1 VAL A 40 -2.639 4.968 2.120 1.00 0.00 C ATOM 665 CG2 VAL A 40 -0.253 5.444 1.565 1.00 0.00 C ATOM 0 H VAL A 40 -1.219 7.496 3.029 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.685 5.128 4.686 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.948 3.845 2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.727 4.443 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.299 4.504 2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.923 6.012 1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.391 4.905 0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.460 6.503 1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.775 5.322 1.906 1.00 0.00 H new ATOM 675 N THR A 41 0.681 4.651 5.341 1.00 0.00 N ATOM 676 CA THR A 41 2.025 4.453 5.833 1.00 0.00 C ATOM 677 C THR A 41 2.677 3.274 5.117 1.00 0.00 C ATOM 678 O THR A 41 1.983 2.383 4.616 1.00 0.00 O ATOM 679 CB THR A 41 2.020 4.213 7.354 1.00 0.00 C ATOM 680 OG1 THR A 41 1.077 3.187 7.693 1.00 0.00 O ATOM 681 CG2 THR A 41 1.673 5.491 8.098 1.00 0.00 C ATOM 0 H THR A 41 -0.018 4.040 5.762 1.00 0.00 H new ATOM 0 HA THR A 41 2.602 5.355 5.630 1.00 0.00 H new ATOM 0 HB THR A 41 3.019 3.894 7.650 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.085 3.043 8.662 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.675 5.299 9.171 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.410 6.259 7.865 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.684 5.833 7.792 1.00 0.00 H new ATOM 689 N PRO A 42 4.015 3.261 5.038 1.00 0.00 N ATOM 690 CA PRO A 42 4.757 2.175 4.392 1.00 0.00 C ATOM 691 C PRO A 42 4.467 0.818 5.034 1.00 0.00 C ATOM 692 O PRO A 42 4.570 -0.224 4.385 1.00 0.00 O ATOM 693 CB PRO A 42 6.227 2.564 4.589 1.00 0.00 C ATOM 694 CG PRO A 42 6.224 3.584 5.674 1.00 0.00 C ATOM 695 CD PRO A 42 4.911 4.298 5.568 1.00 0.00 C ATOM 0 HA PRO A 42 4.479 2.061 3.344 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.829 1.698 4.865 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.653 2.968 3.671 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.334 3.114 6.651 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.056 4.279 5.558 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.573 4.668 6.536 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.972 5.158 4.902 1.00 0.00 H new ATOM 703 N GLU A 43 4.087 0.853 6.312 1.00 0.00 N ATOM 704 CA GLU A 43 3.708 -0.349 7.047 1.00 0.00 C ATOM 705 C GLU A 43 2.527 -1.030 6.364 1.00 0.00 C ATOM 706 O GLU A 43 2.499 -2.250 6.215 1.00 0.00 O ATOM 707 CB GLU A 43 3.330 -0.013 8.500 1.00 0.00 C ATOM 708 CG GLU A 43 4.472 0.533 9.351 1.00 0.00 C ATOM 709 CD GLU A 43 4.967 1.883 8.877 1.00 0.00 C ATOM 710 OE1 GLU A 43 4.231 2.878 9.033 1.00 0.00 O ATOM 711 OE2 GLU A 43 6.086 1.951 8.336 1.00 0.00 O ATOM 0 H GLU A 43 4.034 1.711 6.862 1.00 0.00 H new ATOM 0 HA GLU A 43 4.566 -1.021 7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.522 0.718 8.490 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.940 -0.913 8.976 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.140 0.616 10.386 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.299 -0.177 9.338 1.00 0.00 H new ATOM 718 N LEU A 44 1.560 -0.220 5.941 1.00 0.00 N ATOM 719 CA LEU A 44 0.377 -0.723 5.253 1.00 0.00 C ATOM 720 C LEU A 44 0.736 -1.226 3.861 1.00 0.00 C ATOM 721 O LEU A 44 0.218 -2.249 3.414 1.00 0.00 O ATOM 722 CB LEU A 44 -0.704 0.365 5.165 1.00 0.00 C ATOM 723 CG LEU A 44 -1.721 0.382 6.313 1.00 0.00 C ATOM 724 CD1 LEU A 44 -1.027 0.514 7.661 1.00 0.00 C ATOM 725 CD2 LEU A 44 -2.720 1.511 6.109 1.00 0.00 C ATOM 0 H LEU A 44 1.574 0.792 6.064 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.020 -1.558 5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.213 1.337 5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.244 0.240 4.226 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.257 -0.567 6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.773 0.523 8.455 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.352 -0.330 7.807 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.457 1.443 7.688 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.438 1.514 6.929 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.192 2.464 6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.247 1.364 5.166 1.00 0.00 H new ATOM 737 N VAL A 45 1.633 -0.512 3.190 1.00 0.00 N ATOM 738 CA VAL A 45 2.086 -0.909 1.861 1.00 0.00 C ATOM 739 C VAL A 45 2.761 -2.274 1.916 1.00 0.00 C ATOM 740 O VAL A 45 2.437 -3.175 1.139 1.00 0.00 O ATOM 741 CB VAL A 45 3.073 0.115 1.268 1.00 0.00 C ATOM 742 CG1 VAL A 45 3.488 -0.289 -0.140 1.00 0.00 C ATOM 743 CG2 VAL A 45 2.467 1.507 1.271 1.00 0.00 C ATOM 0 H VAL A 45 2.061 0.344 3.544 1.00 0.00 H new ATOM 0 HA VAL A 45 1.205 -0.956 1.221 1.00 0.00 H new ATOM 0 HB VAL A 45 3.965 0.130 1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.185 0.448 -0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.970 -1.266 -0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.606 -0.338 -0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.180 2.215 0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.556 1.508 0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.230 1.798 2.294 1.00 0.00 H new ATOM 753 N GLU A 46 3.694 -2.420 2.847 1.00 0.00 N ATOM 754 CA GLU A 46 4.399 -3.675 3.027 1.00 0.00 C ATOM 755 C GLU A 46 3.430 -4.768 3.454 1.00 0.00 C ATOM 756 O GLU A 46 3.479 -5.887 2.938 1.00 0.00 O ATOM 757 CB GLU A 46 5.519 -3.519 4.056 1.00 0.00 C ATOM 758 CG GLU A 46 6.348 -4.776 4.248 1.00 0.00 C ATOM 759 CD GLU A 46 7.615 -4.520 5.027 1.00 0.00 C ATOM 760 OE1 GLU A 46 8.513 -3.837 4.486 1.00 0.00 O ATOM 761 OE2 GLU A 46 7.734 -5.011 6.166 1.00 0.00 O ATOM 0 H GLU A 46 3.979 -1.681 3.489 1.00 0.00 H new ATOM 0 HA GLU A 46 4.847 -3.961 2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.175 -2.705 3.746 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.084 -3.231 5.013 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.751 -5.525 4.768 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.603 -5.192 3.273 1.00 0.00 H new ATOM 768 N GLN A 47 2.537 -4.430 4.379 1.00 0.00 N ATOM 769 CA GLN A 47 1.525 -5.366 4.847 1.00 0.00 C ATOM 770 C GLN A 47 0.731 -5.922 3.672 1.00 0.00 C ATOM 771 O GLN A 47 0.594 -7.133 3.530 1.00 0.00 O ATOM 772 CB GLN A 47 0.575 -4.689 5.841 1.00 0.00 C ATOM 773 CG GLN A 47 -0.498 -5.620 6.390 1.00 0.00 C ATOM 774 CD GLN A 47 0.084 -6.783 7.174 1.00 0.00 C ATOM 775 OE1 GLN A 47 1.127 -6.656 7.812 1.00 0.00 O ATOM 776 NE2 GLN A 47 -0.565 -7.933 7.104 1.00 0.00 N ATOM 0 H GLN A 47 2.495 -3.511 4.820 1.00 0.00 H new ATOM 0 HA GLN A 47 2.033 -6.186 5.353 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.157 -4.289 6.672 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.094 -3.842 5.352 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.171 -5.053 7.033 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.096 -6.006 5.565 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.428 -8.000 6.564 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.203 -8.753 7.590 1.00 0.00 H new ATOM 785 N ALA A 48 0.242 -5.032 2.819 1.00 0.00 N ATOM 786 CA ALA A 48 -0.551 -5.432 1.666 1.00 0.00 C ATOM 787 C ALA A 48 0.262 -6.292 0.709 1.00 0.00 C ATOM 788 O ALA A 48 -0.285 -7.164 0.030 1.00 0.00 O ATOM 789 CB ALA A 48 -1.094 -4.216 0.945 1.00 0.00 C ATOM 0 H ALA A 48 0.382 -4.025 2.905 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.388 -6.028 2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.684 -4.536 0.086 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.724 -3.641 1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.266 -3.595 0.605 1.00 0.00 H new ATOM 795 N ARG A 49 1.571 -6.066 0.666 1.00 0.00 N ATOM 796 CA ARG A 49 2.431 -6.853 -0.202 1.00 0.00 C ATOM 797 C ARG A 49 2.577 -8.263 0.356 1.00 0.00 C ATOM 798 O ARG A 49 2.736 -9.225 -0.391 1.00 0.00 O ATOM 799 CB ARG A 49 3.809 -6.204 -0.364 1.00 0.00 C ATOM 800 CG ARG A 49 4.667 -6.905 -1.404 1.00 0.00 C ATOM 801 CD ARG A 49 6.063 -6.305 -1.508 1.00 0.00 C ATOM 802 NE ARG A 49 6.834 -6.446 -0.269 1.00 0.00 N ATOM 803 CZ ARG A 49 7.390 -7.589 0.149 1.00 0.00 C ATOM 804 NH1 ARG A 49 7.167 -8.730 -0.493 1.00 0.00 N ATOM 805 NH2 ARG A 49 8.160 -7.594 1.229 1.00 0.00 N ATOM 0 H ARG A 49 2.052 -5.354 1.215 1.00 0.00 H new ATOM 0 HA ARG A 49 1.967 -6.899 -1.187 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.683 -5.159 -0.647 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.326 -6.214 0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.747 -7.962 -1.151 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.176 -6.846 -2.375 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.602 -6.788 -2.323 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.982 -5.248 -1.762 1.00 0.00 H new ATOM 0 HE ARG A 49 6.955 -5.617 0.313 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.565 -8.743 -1.316 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.598 -9.594 -0.163 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.328 -6.727 1.740 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.584 -8.465 1.549 1.00 0.00 H new ATOM 819 N LEU A 50 2.514 -8.375 1.676 1.00 0.00 N ATOM 820 CA LEU A 50 2.565 -9.671 2.338 1.00 0.00 C ATOM 821 C LEU A 50 1.218 -10.372 2.247 1.00 0.00 C ATOM 822 O LEU A 50 1.158 -11.601 2.171 1.00 0.00 O ATOM 823 CB LEU A 50 2.996 -9.523 3.797 1.00 0.00 C ATOM 824 CG LEU A 50 4.475 -9.812 4.055 1.00 0.00 C ATOM 825 CD1 LEU A 50 4.815 -11.223 3.606 1.00 0.00 C ATOM 826 CD2 LEU A 50 5.358 -8.803 3.338 1.00 0.00 C ATOM 0 H LEU A 50 2.427 -7.581 2.311 1.00 0.00 H new ATOM 0 HA LEU A 50 3.308 -10.283 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.775 -8.508 4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.395 -10.195 4.410 1.00 0.00 H new ATOM 0 HG LEU A 50 4.661 -9.725 5.125 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.870 -11.420 3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.208 -11.938 4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.611 -11.325 2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.405 -9.030 3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.173 -8.855 2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.130 -7.800 3.697 1.00 0.00 H new ATOM 838 N GLU A 51 0.146 -9.580 2.249 1.00 0.00 N ATOM 839 CA GLU A 51 -1.198 -10.105 2.029 1.00 0.00 C ATOM 840 C GLU A 51 -1.215 -10.921 0.743 1.00 0.00 C ATOM 841 O GLU A 51 -1.678 -12.054 0.718 1.00 0.00 O ATOM 842 CB GLU A 51 -2.220 -8.965 1.923 1.00 0.00 C ATOM 843 CG GLU A 51 -2.255 -8.030 3.123 1.00 0.00 C ATOM 844 CD GLU A 51 -2.897 -8.644 4.347 1.00 0.00 C ATOM 845 OE1 GLU A 51 -4.132 -8.524 4.490 1.00 0.00 O ATOM 846 OE2 GLU A 51 -2.178 -9.225 5.179 1.00 0.00 O ATOM 0 H GLU A 51 0.184 -8.572 2.401 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.469 -10.735 2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.000 -8.380 1.030 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.212 -9.396 1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.237 -7.729 3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.799 -7.125 2.853 1.00 0.00 H new ATOM 853 N PHE A 52 -0.663 -10.348 -0.322 1.00 0.00 N ATOM 854 CA PHE A 52 -0.632 -11.024 -1.614 1.00 0.00 C ATOM 855 C PHE A 52 0.578 -11.941 -1.722 1.00 0.00 C ATOM 856 O PHE A 52 0.588 -12.876 -2.519 1.00 0.00 O ATOM 857 CB PHE A 52 -0.626 -10.014 -2.760 1.00 0.00 C ATOM 858 CG PHE A 52 -1.901 -9.234 -2.877 1.00 0.00 C ATOM 859 CD1 PHE A 52 -3.074 -9.856 -3.274 1.00 0.00 C ATOM 860 CD2 PHE A 52 -1.926 -7.878 -2.600 1.00 0.00 C ATOM 861 CE1 PHE A 52 -4.250 -9.140 -3.387 1.00 0.00 C ATOM 862 CE2 PHE A 52 -3.100 -7.158 -2.710 1.00 0.00 C ATOM 863 CZ PHE A 52 -4.262 -7.789 -3.105 1.00 0.00 C ATOM 0 H PHE A 52 -0.234 -9.423 -0.316 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.535 -11.630 -1.689 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.203 -9.321 -2.618 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.444 -10.541 -3.697 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.069 -10.913 -3.498 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.019 -7.378 -2.295 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.158 -9.636 -3.695 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.108 -6.101 -2.487 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.180 -7.226 -3.193 1.00 0.00 H new ATOM 873 N GLY A 53 1.594 -11.666 -0.914 1.00 0.00 N ATOM 874 CA GLY A 53 2.778 -12.502 -0.889 1.00 0.00 C ATOM 875 C GLY A 53 2.465 -13.900 -0.409 1.00 0.00 C ATOM 876 O GLY A 53 3.056 -14.876 -0.870 1.00 0.00 O ATOM 0 H GLY A 53 1.618 -10.874 -0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.212 -12.549 -1.888 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.527 -12.053 -0.237 1.00 0.00 H new ATOM 880 N GLN A 54 1.542 -13.998 0.536 1.00 0.00 N ATOM 881 CA GLN A 54 1.059 -15.290 0.998 1.00 0.00 C ATOM 882 C GLN A 54 -0.305 -15.589 0.386 1.00 0.00 C ATOM 883 O GLN A 54 -0.811 -16.703 0.496 1.00 0.00 O ATOM 884 CB GLN A 54 0.963 -15.314 2.525 1.00 0.00 C ATOM 885 CG GLN A 54 2.302 -15.143 3.232 1.00 0.00 C ATOM 886 CD GLN A 54 3.277 -16.267 2.932 1.00 0.00 C ATOM 887 OE1 GLN A 54 3.298 -17.284 3.622 1.00 0.00 O ATOM 888 NE2 GLN A 54 4.096 -16.089 1.908 1.00 0.00 N ATOM 0 H GLN A 54 1.112 -13.197 0.998 1.00 0.00 H new ATOM 0 HA GLN A 54 1.767 -16.056 0.682 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.289 -14.521 2.849 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.517 -16.259 2.836 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.746 -14.194 2.933 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.135 -15.091 4.308 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.047 -15.230 1.359 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.776 -16.810 1.667 1.00 0.00 H new ATOM 897 N LEU A 55 -0.886 -14.572 -0.256 1.00 0.00 N ATOM 898 CA LEU A 55 -2.217 -14.667 -0.856 1.00 0.00 C ATOM 899 C LEU A 55 -3.242 -14.961 0.239 1.00 0.00 C ATOM 900 O LEU A 55 -4.135 -15.794 0.083 1.00 0.00 O ATOM 901 CB LEU A 55 -2.246 -15.728 -1.962 1.00 0.00 C ATOM 902 CG LEU A 55 -3.446 -15.649 -2.907 1.00 0.00 C ATOM 903 CD1 LEU A 55 -3.491 -14.296 -3.602 1.00 0.00 C ATOM 904 CD2 LEU A 55 -3.385 -16.763 -3.933 1.00 0.00 C ATOM 0 H LEU A 55 -0.446 -13.660 -0.374 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.472 -13.717 -1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.333 -15.641 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.233 -16.714 -1.498 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.355 -15.766 -2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.351 -14.259 -4.270 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.577 -13.506 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.577 -14.153 -4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.246 -16.693 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.468 -16.671 -4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.397 -17.727 -3.424 1.00 0.00 H new ATOM 916 N GLU A 56 -3.079 -14.210 1.329 1.00 0.00 N ATOM 917 CA GLU A 56 -3.853 -14.326 2.567 1.00 0.00 C ATOM 918 C GLU A 56 -4.173 -15.773 2.968 1.00 0.00 C ATOM 919 O GLU A 56 -3.411 -16.371 3.729 1.00 0.00 O ATOM 920 CB GLU A 56 -5.107 -13.436 2.545 1.00 0.00 C ATOM 921 CG GLU A 56 -6.065 -13.671 1.393 1.00 0.00 C ATOM 922 CD GLU A 56 -7.242 -12.726 1.439 1.00 0.00 C ATOM 923 OE1 GLU A 56 -7.835 -12.565 2.526 1.00 0.00 O ATOM 924 OE2 GLU A 56 -7.569 -12.127 0.393 1.00 0.00 O ATOM 0 H GLU A 56 -2.375 -13.473 1.376 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.200 -13.951 3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.649 -13.582 3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.789 -12.394 2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.535 -13.546 0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.424 -14.700 1.423 1.00 0.00 H new ATOM 931 N HIS A 57 -5.292 -16.322 2.477 1.00 0.00 N ATOM 932 CA HIS A 57 -5.738 -17.668 2.856 1.00 0.00 C ATOM 933 C HIS A 57 -6.082 -17.693 4.350 1.00 0.00 C ATOM 934 O HIS A 57 -6.245 -18.750 4.953 1.00 0.00 O ATOM 935 CB HIS A 57 -4.638 -18.694 2.502 1.00 0.00 C ATOM 936 CG HIS A 57 -4.980 -20.134 2.765 1.00 0.00 C ATOM 937 ND1 HIS A 57 -5.697 -20.916 1.885 1.00 0.00 N ATOM 938 CD2 HIS A 57 -4.676 -20.939 3.813 1.00 0.00 C ATOM 939 CE1 HIS A 57 -5.819 -22.134 2.381 1.00 0.00 C ATOM 940 NE2 HIS A 57 -5.207 -22.173 3.548 1.00 0.00 N ATOM 0 H HIS A 57 -5.907 -15.851 1.813 1.00 0.00 H new ATOM 0 HA HIS A 57 -6.638 -17.937 2.302 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -4.392 -18.585 1.446 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.739 -18.444 3.066 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.118 -20.659 4.694 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -6.333 -22.959 1.910 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -5.140 -22.990 4.155 1.00 0.00 H new ATOM 949 N HIS A 58 -6.251 -16.496 4.917 1.00 0.00 N ATOM 950 CA HIS A 58 -6.371 -16.315 6.357 1.00 0.00 C ATOM 951 C HIS A 58 -5.262 -17.091 7.056 1.00 0.00 C ATOM 952 O HIS A 58 -5.510 -17.983 7.869 1.00 0.00 O ATOM 953 CB HIS A 58 -7.755 -16.732 6.868 1.00 0.00 C ATOM 954 CG HIS A 58 -8.135 -16.037 8.137 1.00 0.00 C ATOM 955 ND1 HIS A 58 -8.885 -16.623 9.130 1.00 0.00 N ATOM 956 CD2 HIS A 58 -7.873 -14.779 8.564 1.00 0.00 C ATOM 957 CE1 HIS A 58 -9.067 -15.760 10.112 1.00 0.00 C ATOM 958 NE2 HIS A 58 -8.463 -14.631 9.793 1.00 0.00 N ATOM 0 H HIS A 58 -6.308 -15.627 4.386 1.00 0.00 H new ATOM 0 HA HIS A 58 -6.263 -15.255 6.587 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -8.501 -16.516 6.103 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -7.768 -17.810 7.031 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -7.304 -14.030 8.034 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.617 -15.946 11.022 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -8.439 -13.787 10.366 1.00 0.00 H new ATOM 967 N HIS A 59 -4.033 -16.743 6.688 1.00 0.00 N ATOM 968 CA HIS A 59 -2.840 -17.429 7.157 1.00 0.00 C ATOM 969 C HIS A 59 -2.797 -17.467 8.684 1.00 0.00 C ATOM 970 O HIS A 59 -2.995 -16.449 9.348 1.00 0.00 O ATOM 971 CB HIS A 59 -1.599 -16.724 6.598 1.00 0.00 C ATOM 972 CG HIS A 59 -0.383 -17.591 6.528 1.00 0.00 C ATOM 973 ND1 HIS A 59 -0.050 -18.328 5.411 1.00 0.00 N ATOM 974 CD2 HIS A 59 0.597 -17.821 7.432 1.00 0.00 C ATOM 975 CE1 HIS A 59 1.077 -18.974 5.636 1.00 0.00 C ATOM 976 NE2 HIS A 59 1.489 -18.684 6.852 1.00 0.00 N ATOM 0 H HIS A 59 -3.838 -15.971 6.051 1.00 0.00 H new ATOM 0 HA HIS A 59 -2.860 -18.460 6.802 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -1.825 -16.352 5.599 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -1.377 -15.856 7.218 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.664 -17.402 8.425 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.578 -19.631 4.940 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.336 -19.044 7.292 1.00 0.00 H new ATOM 985 N HIS A 60 -2.516 -18.646 9.226 1.00 0.00 N ATOM 986 CA HIS A 60 -2.554 -18.881 10.671 1.00 0.00 C ATOM 987 C HIS A 60 -1.275 -18.404 11.353 1.00 0.00 C ATOM 988 O HIS A 60 -0.996 -18.790 12.484 1.00 0.00 O ATOM 989 CB HIS A 60 -2.744 -20.375 10.964 1.00 0.00 C ATOM 990 CG HIS A 60 -4.053 -20.937 10.500 1.00 0.00 C ATOM 991 ND1 HIS A 60 -5.054 -21.323 11.364 1.00 0.00 N ATOM 992 CD2 HIS A 60 -4.512 -21.202 9.255 1.00 0.00 C ATOM 993 CE1 HIS A 60 -6.069 -21.801 10.671 1.00 0.00 C ATOM 994 NE2 HIS A 60 -5.764 -21.737 9.390 1.00 0.00 N ATOM 0 H HIS A 60 -2.255 -19.467 8.680 1.00 0.00 H new ATOM 0 HA HIS A 60 -3.395 -18.312 11.067 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.936 -20.931 10.490 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.654 -20.536 12.038 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.988 -21.024 8.328 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.993 -22.180 11.083 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -6.365 -22.038 8.623 1.00 0.00 H new ATOM 1003 N HIS A 61 -0.516 -17.551 10.663 1.00 0.00 N ATOM 1004 CA HIS A 61 0.785 -17.091 11.157 1.00 0.00 C ATOM 1005 C HIS A 61 1.759 -18.259 11.268 1.00 0.00 C ATOM 1006 O HIS A 61 1.485 -19.353 10.777 1.00 0.00 O ATOM 1007 CB HIS A 61 0.655 -16.386 12.514 1.00 0.00 C ATOM 1008 CG HIS A 61 0.102 -14.995 12.434 1.00 0.00 C ATOM 1009 ND1 HIS A 61 0.506 -13.982 13.274 1.00 0.00 N ATOM 1010 CD2 HIS A 61 -0.828 -14.449 11.613 1.00 0.00 C ATOM 1011 CE1 HIS A 61 -0.144 -12.875 12.975 1.00 0.00 C ATOM 1012 NE2 HIS A 61 -0.959 -13.131 11.970 1.00 0.00 N ATOM 0 H HIS A 61 -0.780 -17.163 9.757 1.00 0.00 H new ATOM 0 HA HIS A 61 1.172 -16.370 10.437 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.013 -16.983 13.161 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.637 -16.348 12.986 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.365 -14.956 10.825 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.029 -11.921 13.469 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -1.586 -12.458 11.529 1.00 0.00 H new ATOM 1021 N HIS A 62 2.901 -18.024 11.889 1.00 0.00 N ATOM 1022 CA HIS A 62 3.869 -19.081 12.122 1.00 0.00 C ATOM 1023 C HIS A 62 4.680 -18.775 13.373 1.00 0.00 C ATOM 1024 O HIS A 62 5.854 -18.375 13.254 1.00 0.00 O ATOM 1025 CB HIS A 62 4.783 -19.294 10.895 1.00 0.00 C ATOM 1026 CG HIS A 62 5.421 -18.051 10.341 1.00 0.00 C ATOM 1027 ND1 HIS A 62 6.735 -17.714 10.570 1.00 0.00 N ATOM 1028 CD2 HIS A 62 4.920 -17.078 9.544 1.00 0.00 C ATOM 1029 CE1 HIS A 62 7.018 -16.591 9.933 1.00 0.00 C ATOM 1030 NE2 HIS A 62 5.934 -16.186 9.304 1.00 0.00 N ATOM 1031 OXT HIS A 62 4.118 -18.902 14.479 1.00 0.00 O ATOM 0 H HIS A 62 3.181 -17.109 12.242 1.00 0.00 H new ATOM 0 HA HIS A 62 3.329 -20.015 12.279 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.571 -19.995 11.168 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.198 -19.764 10.105 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.910 -17.016 9.167 1.00 0.00 H new ATOM 0 HE1 HIS A 62 7.975 -16.091 9.929 1.00 0.00 H new ATOM 0 HE2 HIS A 62 5.860 -15.345 8.731 1.00 0.00 H new TER 1040 HIS A 62