USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=9 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= -2.33 K(o=-3.1,f=-3.9!) USER MOD Set 1.2: A 41 THR OG1 : rot 180:sc= -0.764 USER MOD Set 2.1: A 2 ASN : amide:sc= 0.712 K(o=3,f=-7.7!) USER MOD Set 2.2: A 25 LYS NZ :NH3+ -165:sc= 2.34 (180deg=0.611) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= 1.23 (180deg=0.899) USER MOD Single : A 6 THR OG1 : rot -91:sc= 0.547 USER MOD Single : A 7 SER OG : rot 180:sc= 0.039 USER MOD Single : A 10 LYS NZ :NH3+ -168:sc=-0.00288 (180deg=-0.135) USER MOD Single : A 11 THR OG1 : rot 75:sc= 1.17 USER MOD Single : A 12 LYS NZ :NH3+ 156:sc= 1.28 (180deg=1.13) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0.155 X(o=0.16,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0858 X(o=-0.086,f=-0.23) USER MOD Single : A 30 GLN : amide:sc= -0.649 K(o=-0.65,f=-1.6) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -1.19 K(o=-1.2,f=-2.6) USER MOD Single : A 54 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.21) USER MOD Single : A 57 HIS : no HD1:sc= -0.379 X(o=-0.38,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.169 X(o=-0.17,f=-0.0062) USER MOD Single : A 59 HIS : no HD1:sc= -0.0925 X(o=-0.093,f=-0.11) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.731 5.531 -4.719 1.00 0.00 N ATOM 2 CA MET A 1 -9.030 6.826 -4.049 1.00 0.00 C ATOM 3 C MET A 1 -7.908 7.824 -4.284 1.00 0.00 C ATOM 4 O MET A 1 -8.150 9.023 -4.424 1.00 0.00 O ATOM 5 CB MET A 1 -9.227 6.633 -2.537 1.00 0.00 C ATOM 6 CG MET A 1 -10.452 5.813 -2.169 1.00 0.00 C ATOM 7 SD MET A 1 -11.992 6.593 -2.685 1.00 0.00 S ATOM 8 CE MET A 1 -13.181 5.397 -2.095 1.00 0.00 C ATOM 0 H1 MET A 1 -9.589 4.944 -4.738 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.412 5.709 -5.693 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.982 5.034 -4.195 1.00 0.00 H new ATOM 0 HA MET A 1 -9.953 7.212 -4.481 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.342 6.148 -2.125 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.303 7.612 -2.064 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.376 4.828 -2.629 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.471 5.660 -1.090 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.188 5.735 -2.338 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.996 4.435 -2.572 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.085 5.291 -1.014 1.00 0.00 H new ATOM 20 N ASN A 2 -6.682 7.310 -4.329 1.00 0.00 N ATOM 21 CA ASN A 2 -5.480 8.125 -4.454 1.00 0.00 C ATOM 22 C ASN A 2 -5.345 9.034 -3.240 1.00 0.00 C ATOM 23 O ASN A 2 -5.570 10.245 -3.307 1.00 0.00 O ATOM 24 CB ASN A 2 -5.472 8.932 -5.757 1.00 0.00 C ATOM 25 CG ASN A 2 -4.097 8.964 -6.397 1.00 0.00 C ATOM 26 OD1 ASN A 2 -3.320 8.015 -6.274 1.00 0.00 O ATOM 27 ND2 ASN A 2 -3.790 10.044 -7.095 1.00 0.00 N ATOM 0 H ASN A 2 -6.495 6.309 -4.279 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.618 7.459 -4.493 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -6.187 8.499 -6.456 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -5.801 9.951 -5.554 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.882 10.113 -7.555 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.461 10.808 -7.173 1.00 0.00 H new ATOM 34 N LEU A 3 -5.020 8.417 -2.116 1.00 0.00 N ATOM 35 CA LEU A 3 -4.878 9.117 -0.849 1.00 0.00 C ATOM 36 C LEU A 3 -3.500 9.752 -0.753 1.00 0.00 C ATOM 37 O LEU A 3 -2.711 9.669 -1.695 1.00 0.00 O ATOM 38 CB LEU A 3 -5.104 8.152 0.315 1.00 0.00 C ATOM 39 CG LEU A 3 -6.487 7.497 0.359 1.00 0.00 C ATOM 40 CD1 LEU A 3 -6.600 6.572 1.555 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.579 8.555 0.400 1.00 0.00 C ATOM 0 H LEU A 3 -4.847 7.414 -2.056 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.628 9.906 -0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.349 7.367 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.945 8.691 1.249 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.615 6.906 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.590 6.116 1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.842 5.792 1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.450 7.142 2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.555 8.070 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.453 9.174 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.513 9.181 -0.490 1.00 0.00 H new ATOM 53 N ARG A 4 -3.215 10.408 0.361 1.00 0.00 N ATOM 54 CA ARG A 4 -1.915 11.039 0.544 1.00 0.00 C ATOM 55 C ARG A 4 -0.851 9.976 0.816 1.00 0.00 C ATOM 56 O ARG A 4 -0.750 9.453 1.927 1.00 0.00 O ATOM 57 CB ARG A 4 -1.938 12.049 1.696 1.00 0.00 C ATOM 58 CG ARG A 4 -0.697 12.924 1.722 1.00 0.00 C ATOM 59 CD ARG A 4 -0.408 13.475 3.110 1.00 0.00 C ATOM 60 NE ARG A 4 0.764 14.355 3.120 1.00 0.00 N ATOM 61 CZ ARG A 4 2.006 13.972 2.793 1.00 0.00 C ATOM 62 NH1 ARG A 4 2.266 12.714 2.449 1.00 0.00 N ATOM 63 NH2 ARG A 4 2.993 14.854 2.821 1.00 0.00 N ATOM 0 H ARG A 4 -3.858 10.518 1.145 1.00 0.00 H new ATOM 0 HA ARG A 4 -1.674 11.575 -0.374 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.822 12.680 1.605 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -2.023 11.515 2.642 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.160 12.345 1.378 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -0.824 13.752 1.024 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.277 14.026 3.469 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.246 12.648 3.801 1.00 0.00 H new ATOM 0 HE ARG A 4 0.625 15.327 3.395 1.00 0.00 H new ATOM 0 HH11 ARG A 4 1.515 12.024 2.431 1.00 0.00 H new ATOM 0 HH12 ARG A 4 3.217 12.439 2.203 1.00 0.00 H new ATOM 0 HH21 ARG A 4 2.806 15.820 3.091 1.00 0.00 H new ATOM 0 HH22 ARG A 4 3.940 14.568 2.573 1.00 0.00 H new ATOM 77 N TRP A 5 -0.070 9.652 -0.204 1.00 0.00 N ATOM 78 CA TRP A 5 0.992 8.666 -0.063 1.00 0.00 C ATOM 79 C TRP A 5 2.230 9.302 0.538 1.00 0.00 C ATOM 80 O TRP A 5 2.735 10.299 0.027 1.00 0.00 O ATOM 81 CB TRP A 5 1.338 8.033 -1.415 1.00 0.00 C ATOM 82 CG TRP A 5 0.293 7.086 -1.931 1.00 0.00 C ATOM 83 CD1 TRP A 5 -0.931 7.399 -2.454 1.00 0.00 C ATOM 84 CD2 TRP A 5 0.396 5.660 -1.986 1.00 0.00 C ATOM 85 NE1 TRP A 5 -1.599 6.253 -2.815 1.00 0.00 N ATOM 86 CE2 TRP A 5 -0.803 5.173 -2.540 1.00 0.00 C ATOM 87 CE3 TRP A 5 1.386 4.746 -1.614 1.00 0.00 C ATOM 88 CZ2 TRP A 5 -1.034 3.815 -2.731 1.00 0.00 C ATOM 89 CZ3 TRP A 5 1.153 3.399 -1.804 1.00 0.00 C ATOM 90 CH2 TRP A 5 -0.047 2.945 -2.359 1.00 0.00 C ATOM 0 H TRP A 5 -0.151 10.056 -1.137 1.00 0.00 H new ATOM 0 HA TRP A 5 0.633 7.883 0.605 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.489 8.826 -2.148 1.00 0.00 H new ATOM 0 HB3 TRP A 5 2.284 7.499 -1.323 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -1.317 8.401 -2.567 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.534 6.214 -3.221 1.00 0.00 H new ATOM 0 HE3 TRP A 5 2.317 5.088 -1.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.960 3.460 -3.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 1.910 2.684 -1.519 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.198 1.884 -2.497 1.00 0.00 H new ATOM 101 N THR A 6 2.699 8.734 1.639 1.00 0.00 N ATOM 102 CA THR A 6 3.926 9.185 2.266 1.00 0.00 C ATOM 103 C THR A 6 5.121 8.823 1.390 1.00 0.00 C ATOM 104 O THR A 6 5.021 7.943 0.529 1.00 0.00 O ATOM 105 CB THR A 6 4.096 8.560 3.668 1.00 0.00 C ATOM 106 OG1 THR A 6 3.951 7.137 3.600 1.00 0.00 O ATOM 107 CG2 THR A 6 3.069 9.119 4.634 1.00 0.00 C ATOM 0 H THR A 6 2.244 7.956 2.116 1.00 0.00 H new ATOM 0 HA THR A 6 3.872 10.268 2.378 1.00 0.00 H new ATOM 0 HB THR A 6 5.095 8.808 4.026 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.012 6.897 3.744 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.207 8.665 5.615 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.194 10.199 4.713 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.067 8.896 4.269 1.00 0.00 H new ATOM 115 N SER A 7 6.239 9.499 1.603 1.00 0.00 N ATOM 116 CA SER A 7 7.443 9.245 0.832 1.00 0.00 C ATOM 117 C SER A 7 7.900 7.799 1.036 1.00 0.00 C ATOM 118 O SER A 7 8.383 7.139 0.111 1.00 0.00 O ATOM 119 CB SER A 7 8.536 10.218 1.271 1.00 0.00 C ATOM 120 OG SER A 7 7.979 11.484 1.596 1.00 0.00 O ATOM 0 H SER A 7 6.336 10.231 2.307 1.00 0.00 H new ATOM 0 HA SER A 7 7.237 9.393 -0.228 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.064 9.814 2.135 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.270 10.332 0.474 1.00 0.00 H new ATOM 0 HG SER A 7 8.693 12.093 1.877 1.00 0.00 H new ATOM 126 N GLU A 8 7.722 7.309 2.256 1.00 0.00 N ATOM 127 CA GLU A 8 8.044 5.928 2.587 1.00 0.00 C ATOM 128 C GLU A 8 7.072 4.968 1.912 1.00 0.00 C ATOM 129 O GLU A 8 7.473 3.913 1.424 1.00 0.00 O ATOM 130 CB GLU A 8 8.012 5.723 4.099 1.00 0.00 C ATOM 131 CG GLU A 8 9.029 6.566 4.845 1.00 0.00 C ATOM 132 CD GLU A 8 10.446 6.298 4.389 1.00 0.00 C ATOM 133 OE1 GLU A 8 11.032 5.278 4.811 1.00 0.00 O ATOM 134 OE2 GLU A 8 10.982 7.103 3.601 1.00 0.00 O ATOM 0 H GLU A 8 7.354 7.852 3.037 1.00 0.00 H new ATOM 0 HA GLU A 8 9.049 5.718 2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.014 5.960 4.469 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.192 4.671 4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.797 7.621 4.701 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.950 6.365 5.913 1.00 0.00 H new ATOM 141 N ALA A 9 5.797 5.341 1.883 1.00 0.00 N ATOM 142 CA ALA A 9 4.771 4.514 1.257 1.00 0.00 C ATOM 143 C ALA A 9 5.052 4.336 -0.227 1.00 0.00 C ATOM 144 O ALA A 9 4.984 3.225 -0.751 1.00 0.00 O ATOM 145 CB ALA A 9 3.396 5.119 1.464 1.00 0.00 C ATOM 0 H ALA A 9 5.449 6.211 2.286 1.00 0.00 H new ATOM 0 HA ALA A 9 4.793 3.533 1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.645 4.487 0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.187 5.191 2.531 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.366 6.114 1.020 1.00 0.00 H new ATOM 151 N LYS A 10 5.362 5.438 -0.903 1.00 0.00 N ATOM 152 CA LYS A 10 5.742 5.399 -2.311 1.00 0.00 C ATOM 153 C LYS A 10 6.911 4.445 -2.530 1.00 0.00 C ATOM 154 O LYS A 10 6.900 3.637 -3.456 1.00 0.00 O ATOM 155 CB LYS A 10 6.129 6.798 -2.788 1.00 0.00 C ATOM 156 CG LYS A 10 5.003 7.812 -2.713 1.00 0.00 C ATOM 157 CD LYS A 10 5.516 9.216 -2.973 1.00 0.00 C ATOM 158 CE LYS A 10 4.393 10.236 -2.949 1.00 0.00 C ATOM 159 NZ LYS A 10 3.442 10.042 -4.074 1.00 0.00 N ATOM 0 H LYS A 10 5.357 6.373 -0.496 1.00 0.00 H new ATOM 0 HA LYS A 10 4.887 5.042 -2.885 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.966 7.156 -2.189 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.479 6.735 -3.818 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.234 7.561 -3.444 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.535 7.769 -1.730 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.261 9.477 -2.221 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.016 9.248 -3.941 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.856 10.162 -2.003 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.814 11.240 -2.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.813 10.868 -4.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.972 9.935 -4.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.874 9.188 -3.905 1.00 0.00 H new ATOM 173 N THR A 11 7.909 4.537 -1.660 1.00 0.00 N ATOM 174 CA THR A 11 9.096 3.699 -1.759 1.00 0.00 C ATOM 175 C THR A 11 8.751 2.222 -1.526 1.00 0.00 C ATOM 176 O THR A 11 9.236 1.342 -2.240 1.00 0.00 O ATOM 177 CB THR A 11 10.174 4.162 -0.758 1.00 0.00 C ATOM 178 OG1 THR A 11 10.422 5.568 -0.933 1.00 0.00 O ATOM 179 CG2 THR A 11 11.475 3.391 -0.948 1.00 0.00 C ATOM 0 H THR A 11 7.919 5.187 -0.874 1.00 0.00 H new ATOM 0 HA THR A 11 9.492 3.800 -2.769 1.00 0.00 H new ATOM 0 HB THR A 11 9.806 3.969 0.250 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.679 6.081 -0.553 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.214 3.741 -0.227 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.293 2.327 -0.794 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.849 3.552 -1.959 1.00 0.00 H new ATOM 187 N LYS A 12 7.899 1.956 -0.539 1.00 0.00 N ATOM 188 CA LYS A 12 7.431 0.594 -0.279 1.00 0.00 C ATOM 189 C LYS A 12 6.639 0.062 -1.471 1.00 0.00 C ATOM 190 O LYS A 12 6.747 -1.110 -1.827 1.00 0.00 O ATOM 191 CB LYS A 12 6.562 0.547 0.983 1.00 0.00 C ATOM 192 CG LYS A 12 7.338 0.682 2.283 1.00 0.00 C ATOM 193 CD LYS A 12 8.184 -0.550 2.560 1.00 0.00 C ATOM 194 CE LYS A 12 8.885 -0.448 3.905 1.00 0.00 C ATOM 195 NZ LYS A 12 9.745 -1.630 4.180 1.00 0.00 N ATOM 0 H LYS A 12 7.519 2.661 0.092 1.00 0.00 H new ATOM 0 HA LYS A 12 8.307 -0.037 -0.124 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.822 1.346 0.930 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.013 -0.395 0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.980 1.562 2.235 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.643 0.840 3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.553 -1.438 2.543 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.925 -0.670 1.770 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.494 0.456 3.928 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.140 -0.351 4.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.489 -1.368 4.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.166 -2.395 4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.183 -1.955 3.294 1.00 0.00 H new ATOM 209 N LEU A 13 5.856 0.941 -2.088 1.00 0.00 N ATOM 210 CA LEU A 13 5.036 0.584 -3.240 1.00 0.00 C ATOM 211 C LEU A 13 5.911 0.184 -4.427 1.00 0.00 C ATOM 212 O LEU A 13 5.532 -0.664 -5.236 1.00 0.00 O ATOM 213 CB LEU A 13 4.136 1.766 -3.614 1.00 0.00 C ATOM 214 CG LEU A 13 3.156 1.517 -4.763 1.00 0.00 C ATOM 215 CD1 LEU A 13 2.189 0.395 -4.415 1.00 0.00 C ATOM 216 CD2 LEU A 13 2.397 2.790 -5.095 1.00 0.00 C ATOM 0 H LEU A 13 5.772 1.917 -1.805 1.00 0.00 H new ATOM 0 HA LEU A 13 4.415 -0.272 -2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.566 2.058 -2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.770 2.612 -3.879 1.00 0.00 H new ATOM 0 HG LEU A 13 3.727 1.213 -5.640 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.502 0.236 -5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.748 -0.521 -4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.623 0.666 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.704 2.597 -5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.840 3.121 -4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.102 3.567 -5.391 1.00 0.00 H new ATOM 228 N LYS A 14 7.093 0.783 -4.507 1.00 0.00 N ATOM 229 CA LYS A 14 8.033 0.492 -5.584 1.00 0.00 C ATOM 230 C LYS A 14 8.654 -0.892 -5.412 1.00 0.00 C ATOM 231 O LYS A 14 9.276 -1.423 -6.332 1.00 0.00 O ATOM 232 CB LYS A 14 9.131 1.552 -5.632 1.00 0.00 C ATOM 233 CG LYS A 14 8.616 2.946 -5.936 1.00 0.00 C ATOM 234 CD LYS A 14 9.731 3.975 -5.894 1.00 0.00 C ATOM 235 CE LYS A 14 9.197 5.371 -6.140 1.00 0.00 C ATOM 236 NZ LYS A 14 10.270 6.397 -6.062 1.00 0.00 N ATOM 0 H LYS A 14 7.425 1.476 -3.836 1.00 0.00 H new ATOM 0 HA LYS A 14 7.481 0.507 -6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.652 1.567 -4.675 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.863 1.271 -6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.149 2.955 -6.921 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.845 3.215 -5.214 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.227 3.938 -4.924 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.482 3.732 -6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.727 5.412 -7.122 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.423 5.598 -5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.864 7.338 -6.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.702 6.376 -5.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.996 6.195 -6.779 1.00 0.00 H new ATOM 250 N ASN A 15 8.485 -1.469 -4.232 1.00 0.00 N ATOM 251 CA ASN A 15 8.982 -2.812 -3.963 1.00 0.00 C ATOM 252 C ASN A 15 7.995 -3.857 -4.466 1.00 0.00 C ATOM 253 O ASN A 15 8.331 -5.034 -4.597 1.00 0.00 O ATOM 254 CB ASN A 15 9.241 -3.009 -2.468 1.00 0.00 C ATOM 255 CG ASN A 15 10.604 -2.499 -2.039 1.00 0.00 C ATOM 256 OD1 ASN A 15 11.591 -3.238 -2.079 1.00 0.00 O ATOM 257 ND2 ASN A 15 10.679 -1.242 -1.635 1.00 0.00 N ATOM 0 H ASN A 15 8.008 -1.029 -3.445 1.00 0.00 H new ATOM 0 HA ASN A 15 9.925 -2.935 -4.495 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.468 -2.493 -1.898 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.161 -4.069 -2.226 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.575 -0.853 -1.343 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.840 -0.662 -1.616 1.00 0.00 H new ATOM 264 N ILE A 16 6.778 -3.415 -4.742 1.00 0.00 N ATOM 265 CA ILE A 16 5.741 -4.290 -5.263 1.00 0.00 C ATOM 266 C ILE A 16 5.870 -4.405 -6.782 1.00 0.00 C ATOM 267 O ILE A 16 5.939 -3.392 -7.481 1.00 0.00 O ATOM 268 CB ILE A 16 4.340 -3.755 -4.888 1.00 0.00 C ATOM 269 CG1 ILE A 16 4.238 -3.587 -3.366 1.00 0.00 C ATOM 270 CG2 ILE A 16 3.250 -4.690 -5.399 1.00 0.00 C ATOM 271 CD1 ILE A 16 2.952 -2.936 -2.904 1.00 0.00 C ATOM 0 H ILE A 16 6.483 -2.447 -4.612 1.00 0.00 H new ATOM 0 HA ILE A 16 5.864 -5.278 -4.819 1.00 0.00 H new ATOM 0 HB ILE A 16 4.197 -2.783 -5.361 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.327 -4.566 -2.896 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.081 -2.989 -3.019 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.272 -4.294 -5.124 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.317 -4.769 -6.484 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.380 -5.677 -4.955 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.956 -2.853 -1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.869 -1.942 -3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.103 -3.544 -3.218 1.00 0.00 H new ATOM 283 N PRO A 17 5.930 -5.644 -7.305 1.00 0.00 N ATOM 284 CA PRO A 17 6.057 -5.901 -8.748 1.00 0.00 C ATOM 285 C PRO A 17 4.982 -5.194 -9.569 1.00 0.00 C ATOM 286 O PRO A 17 3.861 -5.000 -9.100 1.00 0.00 O ATOM 287 CB PRO A 17 5.895 -7.419 -8.859 1.00 0.00 C ATOM 288 CG PRO A 17 6.299 -7.941 -7.526 1.00 0.00 C ATOM 289 CD PRO A 17 5.886 -6.897 -6.529 1.00 0.00 C ATOM 0 HA PRO A 17 7.003 -5.527 -9.139 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.866 -7.691 -9.096 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.523 -7.827 -9.651 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.813 -8.894 -7.317 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.374 -8.116 -7.485 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.888 -7.090 -6.135 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.565 -6.865 -5.677 1.00 0.00 H new ATOM 297 N PHE A 18 5.331 -4.834 -10.799 1.00 0.00 N ATOM 298 CA PHE A 18 4.442 -4.078 -11.679 1.00 0.00 C ATOM 299 C PHE A 18 3.106 -4.792 -11.868 1.00 0.00 C ATOM 300 O PHE A 18 2.050 -4.158 -11.887 1.00 0.00 O ATOM 301 CB PHE A 18 5.111 -3.855 -13.041 1.00 0.00 C ATOM 302 CG PHE A 18 4.250 -3.117 -14.028 1.00 0.00 C ATOM 303 CD1 PHE A 18 4.198 -1.733 -14.024 1.00 0.00 C ATOM 304 CD2 PHE A 18 3.490 -3.811 -14.956 1.00 0.00 C ATOM 305 CE1 PHE A 18 3.404 -1.054 -14.931 1.00 0.00 C ATOM 306 CE2 PHE A 18 2.696 -3.140 -15.864 1.00 0.00 C ATOM 307 CZ PHE A 18 2.652 -1.759 -15.851 1.00 0.00 C ATOM 0 H PHE A 18 6.235 -5.056 -11.215 1.00 0.00 H new ATOM 0 HA PHE A 18 4.248 -3.114 -11.209 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.037 -3.299 -12.894 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.384 -4.822 -13.463 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.783 -1.178 -13.306 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.519 -4.891 -14.969 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.372 0.025 -14.920 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.110 -3.693 -16.583 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.030 -1.231 -16.559 1.00 0.00 H new ATOM 317 N PHE A 19 3.164 -6.112 -11.983 1.00 0.00 N ATOM 318 CA PHE A 19 1.976 -6.933 -12.203 1.00 0.00 C ATOM 319 C PHE A 19 0.944 -6.737 -11.087 1.00 0.00 C ATOM 320 O PHE A 19 -0.261 -6.878 -11.304 1.00 0.00 O ATOM 321 CB PHE A 19 2.382 -8.409 -12.301 1.00 0.00 C ATOM 322 CG PHE A 19 1.235 -9.352 -12.535 1.00 0.00 C ATOM 323 CD1 PHE A 19 0.641 -9.450 -13.782 1.00 0.00 C ATOM 324 CD2 PHE A 19 0.759 -10.149 -11.505 1.00 0.00 C ATOM 325 CE1 PHE A 19 -0.409 -10.320 -13.998 1.00 0.00 C ATOM 326 CE2 PHE A 19 -0.290 -11.020 -11.715 1.00 0.00 C ATOM 327 CZ PHE A 19 -0.874 -11.107 -12.964 1.00 0.00 C ATOM 0 H PHE A 19 4.032 -6.645 -11.927 1.00 0.00 H new ATOM 0 HA PHE A 19 1.512 -6.620 -13.138 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.102 -8.523 -13.112 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.891 -8.696 -11.381 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.003 -8.839 -14.595 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.214 -10.087 -10.528 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.866 -10.385 -14.975 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.654 -11.633 -10.904 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.694 -11.790 -13.131 1.00 0.00 H new ATOM 337 N ALA A 20 1.415 -6.390 -9.897 1.00 0.00 N ATOM 338 CA ALA A 20 0.534 -6.217 -8.752 1.00 0.00 C ATOM 339 C ALA A 20 0.563 -4.780 -8.242 1.00 0.00 C ATOM 340 O ALA A 20 -0.005 -4.476 -7.197 1.00 0.00 O ATOM 341 CB ALA A 20 0.920 -7.180 -7.640 1.00 0.00 C ATOM 0 H ALA A 20 2.402 -6.223 -9.700 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.484 -6.437 -9.075 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.253 -7.040 -6.789 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.837 -8.205 -8.001 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.947 -6.986 -7.331 1.00 0.00 H new ATOM 347 N ARG A 21 1.204 -3.896 -8.999 1.00 0.00 N ATOM 348 CA ARG A 21 1.367 -2.499 -8.592 1.00 0.00 C ATOM 349 C ARG A 21 0.028 -1.807 -8.372 1.00 0.00 C ATOM 350 O ARG A 21 -0.207 -1.222 -7.313 1.00 0.00 O ATOM 351 CB ARG A 21 2.192 -1.734 -9.630 1.00 0.00 C ATOM 352 CG ARG A 21 3.668 -1.642 -9.278 1.00 0.00 C ATOM 353 CD ARG A 21 3.912 -0.633 -8.165 1.00 0.00 C ATOM 354 NE ARG A 21 3.861 0.745 -8.655 1.00 0.00 N ATOM 355 CZ ARG A 21 2.820 1.566 -8.512 1.00 0.00 C ATOM 356 NH1 ARG A 21 1.698 1.146 -7.930 1.00 0.00 N ATOM 357 NH2 ARG A 21 2.899 2.808 -8.957 1.00 0.00 N ATOM 0 H ARG A 21 1.622 -4.120 -9.902 1.00 0.00 H new ATOM 0 HA ARG A 21 1.897 -2.499 -7.639 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.087 -2.222 -10.599 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.787 -0.727 -9.735 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.032 -2.622 -8.969 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.237 -1.355 -10.162 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.165 -0.768 -7.383 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.885 -0.821 -7.712 1.00 0.00 H new ATOM 0 HE ARG A 21 4.682 1.104 -9.142 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.629 0.187 -7.588 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.908 1.783 -7.826 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.754 3.135 -9.408 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.105 3.440 -8.850 1.00 0.00 H new ATOM 371 N SER A 22 -0.844 -1.871 -9.365 1.00 0.00 N ATOM 372 CA SER A 22 -2.150 -1.234 -9.267 1.00 0.00 C ATOM 373 C SER A 22 -3.076 -2.028 -8.351 1.00 0.00 C ATOM 374 O SER A 22 -3.945 -1.462 -7.687 1.00 0.00 O ATOM 375 CB SER A 22 -2.759 -1.092 -10.662 1.00 0.00 C ATOM 376 OG SER A 22 -1.859 -0.425 -11.531 1.00 0.00 O ATOM 0 H SER A 22 -0.673 -2.356 -10.246 1.00 0.00 H new ATOM 0 HA SER A 22 -2.025 -0.242 -8.832 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.998 -2.077 -11.063 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.695 -0.536 -10.602 1.00 0.00 H new ATOM 0 HG SER A 22 -2.263 -0.343 -12.420 1.00 0.00 H new ATOM 382 N GLN A 23 -2.861 -3.336 -8.297 1.00 0.00 N ATOM 383 CA GLN A 23 -3.689 -4.214 -7.484 1.00 0.00 C ATOM 384 C GLN A 23 -3.459 -3.937 -6.000 1.00 0.00 C ATOM 385 O GLN A 23 -4.406 -3.721 -5.238 1.00 0.00 O ATOM 386 CB GLN A 23 -3.372 -5.677 -7.804 1.00 0.00 C ATOM 387 CG GLN A 23 -4.322 -6.662 -7.149 1.00 0.00 C ATOM 388 CD GLN A 23 -5.748 -6.514 -7.642 1.00 0.00 C ATOM 389 OE1 GLN A 23 -6.533 -5.740 -7.092 1.00 0.00 O ATOM 390 NE2 GLN A 23 -6.088 -7.242 -8.691 1.00 0.00 N ATOM 0 H GLN A 23 -2.118 -3.812 -8.808 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.737 -4.021 -7.715 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.403 -5.819 -8.884 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.354 -5.898 -7.483 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.978 -7.678 -7.344 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.299 -6.520 -6.069 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.408 -7.871 -9.117 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.031 -7.175 -9.074 1.00 0.00 H new ATOM 399 N ALA A 24 -2.192 -3.933 -5.601 1.00 0.00 N ATOM 400 CA ALA A 24 -1.830 -3.665 -4.218 1.00 0.00 C ATOM 401 C ALA A 24 -2.249 -2.257 -3.821 1.00 0.00 C ATOM 402 O ALA A 24 -2.764 -2.049 -2.727 1.00 0.00 O ATOM 403 CB ALA A 24 -0.335 -3.855 -4.017 1.00 0.00 C ATOM 0 H ALA A 24 -1.400 -4.113 -6.218 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.357 -4.372 -3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.079 -3.651 -2.977 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.062 -4.881 -4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.209 -3.169 -4.666 1.00 0.00 H new ATOM 409 N LYS A 25 -2.047 -1.302 -4.729 1.00 0.00 N ATOM 410 CA LYS A 25 -2.407 0.094 -4.485 1.00 0.00 C ATOM 411 C LYS A 25 -3.872 0.211 -4.072 1.00 0.00 C ATOM 412 O LYS A 25 -4.202 0.917 -3.116 1.00 0.00 O ATOM 413 CB LYS A 25 -2.152 0.929 -5.740 1.00 0.00 C ATOM 414 CG LYS A 25 -2.387 2.418 -5.543 1.00 0.00 C ATOM 415 CD LYS A 25 -2.107 3.200 -6.816 1.00 0.00 C ATOM 416 CE LYS A 25 -2.109 4.705 -6.575 1.00 0.00 C ATOM 417 NZ LYS A 25 -3.442 5.222 -6.158 1.00 0.00 N ATOM 0 H LYS A 25 -1.633 -1.472 -5.646 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.787 0.471 -3.671 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.124 0.773 -6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.799 0.571 -6.541 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.418 2.586 -5.231 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.747 2.785 -4.741 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.141 2.899 -7.221 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.858 2.952 -7.566 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.375 4.946 -5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.796 5.214 -7.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.458 6.257 -6.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.180 4.807 -6.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.620 4.963 -5.167 1.00 0.00 H new ATOM 431 N ALA A 26 -4.736 -0.500 -4.789 1.00 0.00 N ATOM 432 CA ALA A 26 -6.164 -0.503 -4.493 1.00 0.00 C ATOM 433 C ALA A 26 -6.419 -1.017 -3.080 1.00 0.00 C ATOM 434 O ALA A 26 -7.204 -0.432 -2.332 1.00 0.00 O ATOM 435 CB ALA A 26 -6.917 -1.347 -5.512 1.00 0.00 C ATOM 0 H ALA A 26 -4.471 -1.084 -5.582 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.530 0.522 -4.555 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.981 -1.338 -5.276 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.763 -0.936 -6.510 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.547 -2.372 -5.481 1.00 0.00 H new ATOM 441 N ARG A 27 -5.744 -2.100 -2.710 1.00 0.00 N ATOM 442 CA ARG A 27 -5.917 -2.674 -1.380 1.00 0.00 C ATOM 443 C ARG A 27 -5.330 -1.762 -0.301 1.00 0.00 C ATOM 444 O ARG A 27 -5.916 -1.610 0.766 1.00 0.00 O ATOM 445 CB ARG A 27 -5.293 -4.072 -1.297 1.00 0.00 C ATOM 446 CG ARG A 27 -5.392 -4.695 0.088 1.00 0.00 C ATOM 447 CD ARG A 27 -5.095 -6.186 0.065 1.00 0.00 C ATOM 448 NE ARG A 27 -6.127 -6.938 -0.649 1.00 0.00 N ATOM 449 CZ ARG A 27 -6.529 -8.165 -0.312 1.00 0.00 C ATOM 450 NH1 ARG A 27 -6.017 -8.772 0.752 1.00 0.00 N ATOM 451 NH2 ARG A 27 -7.458 -8.776 -1.033 1.00 0.00 N ATOM 0 H ARG A 27 -5.079 -2.594 -3.305 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.988 -2.766 -1.201 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.785 -4.725 -2.017 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.244 -4.012 -1.586 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.694 -4.197 0.760 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.392 -4.531 0.489 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.129 -6.356 -0.409 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.018 -6.556 1.087 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.567 -6.496 -1.456 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.312 -8.300 1.318 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.329 -9.710 1.004 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.864 -8.308 -1.843 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.767 -9.714 -0.777 1.00 0.00 H new ATOM 465 N ILE A 28 -4.189 -1.145 -0.589 1.00 0.00 N ATOM 466 CA ILE A 28 -3.539 -0.248 0.364 1.00 0.00 C ATOM 467 C ILE A 28 -4.464 0.909 0.742 1.00 0.00 C ATOM 468 O ILE A 28 -4.644 1.217 1.921 1.00 0.00 O ATOM 469 CB ILE A 28 -2.217 0.321 -0.200 1.00 0.00 C ATOM 470 CG1 ILE A 28 -1.229 -0.813 -0.469 1.00 0.00 C ATOM 471 CG2 ILE A 28 -1.612 1.336 0.763 1.00 0.00 C ATOM 472 CD1 ILE A 28 -0.017 -0.385 -1.265 1.00 0.00 C ATOM 0 H ILE A 28 -3.694 -1.249 -1.475 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.314 -0.838 1.253 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.433 0.830 -1.140 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.899 -1.230 0.483 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.742 -1.611 -1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.682 1.724 0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.313 2.157 0.913 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.408 0.854 1.719 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.639 -1.242 -1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.336 0.004 -2.232 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.520 0.391 -0.720 1.00 0.00 H new ATOM 484 N GLU A 29 -5.069 1.532 -0.261 1.00 0.00 N ATOM 485 CA GLU A 29 -5.959 2.661 -0.032 1.00 0.00 C ATOM 486 C GLU A 29 -7.264 2.200 0.612 1.00 0.00 C ATOM 487 O GLU A 29 -7.960 2.982 1.260 1.00 0.00 O ATOM 488 CB GLU A 29 -6.226 3.400 -1.340 1.00 0.00 C ATOM 489 CG GLU A 29 -4.955 3.903 -2.001 1.00 0.00 C ATOM 490 CD GLU A 29 -5.205 4.744 -3.234 1.00 0.00 C ATOM 491 OE1 GLU A 29 -6.345 4.753 -3.745 1.00 0.00 O ATOM 492 OE2 GLU A 29 -4.255 5.420 -3.688 1.00 0.00 O ATOM 0 H GLU A 29 -4.959 1.274 -1.242 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.472 3.351 0.657 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.749 2.735 -2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.888 4.244 -1.147 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.388 4.491 -1.279 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.335 3.049 -2.274 1.00 0.00 H new ATOM 499 N GLN A 30 -7.588 0.928 0.433 1.00 0.00 N ATOM 500 CA GLN A 30 -8.721 0.321 1.121 1.00 0.00 C ATOM 501 C GLN A 30 -8.371 0.171 2.599 1.00 0.00 C ATOM 502 O GLN A 30 -9.121 0.600 3.476 1.00 0.00 O ATOM 503 CB GLN A 30 -9.049 -1.040 0.482 1.00 0.00 C ATOM 504 CG GLN A 30 -10.372 -1.668 0.919 1.00 0.00 C ATOM 505 CD GLN A 30 -10.311 -2.322 2.289 1.00 0.00 C ATOM 506 OE1 GLN A 30 -10.635 -1.711 3.302 1.00 0.00 O ATOM 507 NE2 GLN A 30 -9.877 -3.569 2.325 1.00 0.00 N ATOM 0 H GLN A 30 -7.082 0.293 -0.184 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.605 0.952 1.030 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.064 -0.919 -0.601 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.242 -1.735 0.714 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.145 -0.899 0.927 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.672 -2.414 0.183 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.617 -4.044 1.460 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.802 -4.057 3.217 1.00 0.00 H new ATOM 516 N LEU A 31 -7.202 -0.408 2.856 1.00 0.00 N ATOM 517 CA LEU A 31 -6.702 -0.604 4.214 1.00 0.00 C ATOM 518 C LEU A 31 -6.607 0.724 4.959 1.00 0.00 C ATOM 519 O LEU A 31 -6.924 0.805 6.142 1.00 0.00 O ATOM 520 CB LEU A 31 -5.325 -1.268 4.176 1.00 0.00 C ATOM 521 CG LEU A 31 -5.291 -2.661 3.542 1.00 0.00 C ATOM 522 CD1 LEU A 31 -3.853 -3.109 3.324 1.00 0.00 C ATOM 523 CD2 LEU A 31 -6.030 -3.664 4.416 1.00 0.00 C ATOM 0 H LEU A 31 -6.575 -0.754 2.130 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.404 -1.250 4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.642 -0.620 3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.946 -1.341 5.195 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.791 -2.611 2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.845 -4.101 2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.349 -2.405 2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.333 -3.142 4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.995 -4.648 3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.556 -3.710 5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.068 -3.353 4.529 1.00 0.00 H new ATOM 535 N ALA A 32 -6.169 1.762 4.256 1.00 0.00 N ATOM 536 CA ALA A 32 -6.079 3.097 4.835 1.00 0.00 C ATOM 537 C ALA A 32 -7.452 3.591 5.276 1.00 0.00 C ATOM 538 O ALA A 32 -7.608 4.124 6.374 1.00 0.00 O ATOM 539 CB ALA A 32 -5.461 4.063 3.839 1.00 0.00 C ATOM 0 H ALA A 32 -5.870 1.704 3.282 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.438 3.046 5.715 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.400 5.056 4.285 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.460 3.722 3.574 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.079 4.105 2.942 1.00 0.00 H new ATOM 545 N ARG A 33 -8.451 3.394 4.424 1.00 0.00 N ATOM 546 CA ARG A 33 -9.818 3.767 4.756 1.00 0.00 C ATOM 547 C ARG A 33 -10.336 2.923 5.915 1.00 0.00 C ATOM 548 O ARG A 33 -11.074 3.408 6.771 1.00 0.00 O ATOM 549 CB ARG A 33 -10.727 3.612 3.536 1.00 0.00 C ATOM 550 CG ARG A 33 -10.440 4.620 2.435 1.00 0.00 C ATOM 551 CD ARG A 33 -11.390 4.453 1.259 1.00 0.00 C ATOM 552 NE ARG A 33 -11.121 3.232 0.494 1.00 0.00 N ATOM 553 CZ ARG A 33 -12.067 2.365 0.116 1.00 0.00 C ATOM 554 NH1 ARG A 33 -13.327 2.529 0.508 1.00 0.00 N ATOM 555 NH2 ARG A 33 -11.755 1.325 -0.647 1.00 0.00 N ATOM 0 H ARG A 33 -8.339 2.978 3.499 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.824 4.813 5.061 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.614 2.605 3.134 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.765 3.715 3.851 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.529 5.630 2.834 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.412 4.502 2.092 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.417 4.431 1.625 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.305 5.317 0.601 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.155 3.032 0.234 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.578 3.320 1.101 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.043 1.864 0.216 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.791 1.184 -0.948 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.480 0.666 -0.933 1.00 0.00 H new ATOM 569 N GLN A 34 -9.933 1.660 5.940 1.00 0.00 N ATOM 570 CA GLN A 34 -10.285 0.755 7.027 1.00 0.00 C ATOM 571 C GLN A 34 -9.659 1.225 8.341 1.00 0.00 C ATOM 572 O GLN A 34 -10.256 1.098 9.411 1.00 0.00 O ATOM 573 CB GLN A 34 -9.821 -0.665 6.688 1.00 0.00 C ATOM 574 CG GLN A 34 -10.127 -1.690 7.764 1.00 0.00 C ATOM 575 CD GLN A 34 -9.663 -3.080 7.385 1.00 0.00 C ATOM 576 OE1 GLN A 34 -10.411 -3.851 6.782 1.00 0.00 O ATOM 577 NE2 GLN A 34 -8.429 -3.413 7.731 1.00 0.00 N ATOM 0 H GLN A 34 -9.357 1.235 5.213 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.368 0.754 7.150 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.295 -0.978 5.758 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.746 -0.651 6.509 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.646 -1.390 8.695 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.201 -1.707 7.951 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.841 -2.745 8.230 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.066 -4.337 7.499 1.00 0.00 H new ATOM 586 N ALA A 35 -8.457 1.778 8.248 1.00 0.00 N ATOM 587 CA ALA A 35 -7.761 2.317 9.408 1.00 0.00 C ATOM 588 C ALA A 35 -8.165 3.769 9.651 1.00 0.00 C ATOM 589 O ALA A 35 -7.709 4.397 10.608 1.00 0.00 O ATOM 590 CB ALA A 35 -6.256 2.210 9.213 1.00 0.00 C ATOM 0 H ALA A 35 -7.940 1.865 7.373 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.043 1.733 10.284 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.746 2.616 10.087 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.979 1.164 9.085 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.963 2.774 8.327 1.00 0.00 H new ATOM 596 N GLU A 36 -9.006 4.295 8.758 1.00 0.00 N ATOM 597 CA GLU A 36 -9.539 5.654 8.868 1.00 0.00 C ATOM 598 C GLU A 36 -8.425 6.694 8.769 1.00 0.00 C ATOM 599 O GLU A 36 -8.460 7.730 9.438 1.00 0.00 O ATOM 600 CB GLU A 36 -10.319 5.825 10.174 1.00 0.00 C ATOM 601 CG GLU A 36 -11.514 4.891 10.292 1.00 0.00 C ATOM 602 CD GLU A 36 -12.288 5.097 11.574 1.00 0.00 C ATOM 603 OE1 GLU A 36 -11.871 4.553 12.619 1.00 0.00 O ATOM 604 OE2 GLU A 36 -13.314 5.806 11.549 1.00 0.00 O ATOM 0 H GLU A 36 -9.337 3.789 7.936 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.222 5.813 8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.647 5.651 11.015 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.664 6.856 10.250 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.178 5.047 9.442 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.170 3.858 10.242 1.00 0.00 H new ATOM 611 N GLN A 37 -7.444 6.423 7.920 1.00 0.00 N ATOM 612 CA GLN A 37 -6.359 7.360 7.682 1.00 0.00 C ATOM 613 C GLN A 37 -6.351 7.791 6.218 1.00 0.00 C ATOM 614 O GLN A 37 -6.589 6.979 5.319 1.00 0.00 O ATOM 615 CB GLN A 37 -5.002 6.757 8.077 1.00 0.00 C ATOM 616 CG GLN A 37 -4.576 5.547 7.249 1.00 0.00 C ATOM 617 CD GLN A 37 -3.245 4.964 7.700 1.00 0.00 C ATOM 618 OE1 GLN A 37 -2.485 4.418 6.900 1.00 0.00 O ATOM 619 NE2 GLN A 37 -2.959 5.058 8.989 1.00 0.00 N ATOM 0 H GLN A 37 -7.379 5.558 7.383 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.524 8.237 8.308 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.237 7.529 7.988 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.041 6.466 9.127 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.346 4.778 7.315 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.504 5.837 6.201 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.612 5.517 9.624 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.086 4.671 9.347 1.00 0.00 H new ATOM 628 N ASP A 38 -6.110 9.072 5.987 1.00 0.00 N ATOM 629 CA ASP A 38 -6.061 9.618 4.636 1.00 0.00 C ATOM 630 C ASP A 38 -4.630 9.580 4.137 1.00 0.00 C ATOM 631 O ASP A 38 -4.348 9.778 2.956 1.00 0.00 O ATOM 632 CB ASP A 38 -6.572 11.062 4.623 1.00 0.00 C ATOM 633 CG ASP A 38 -7.932 11.214 5.265 1.00 0.00 C ATOM 634 OD1 ASP A 38 -7.988 11.456 6.493 1.00 0.00 O ATOM 635 OD2 ASP A 38 -8.950 11.108 4.547 1.00 0.00 O ATOM 0 H ASP A 38 -5.944 9.759 6.722 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.698 9.018 3.986 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.857 11.699 5.144 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.621 11.415 3.593 1.00 0.00 H new ATOM 640 N ILE A 39 -3.735 9.327 5.070 1.00 0.00 N ATOM 641 CA ILE A 39 -2.317 9.268 4.794 1.00 0.00 C ATOM 642 C ILE A 39 -1.838 7.835 4.940 1.00 0.00 C ATOM 643 O ILE A 39 -1.783 7.311 6.051 1.00 0.00 O ATOM 644 CB ILE A 39 -1.537 10.167 5.774 1.00 0.00 C ATOM 645 CG1 ILE A 39 -2.079 11.597 5.735 1.00 0.00 C ATOM 646 CG2 ILE A 39 -0.053 10.146 5.453 1.00 0.00 C ATOM 647 CD1 ILE A 39 -1.529 12.482 6.829 1.00 0.00 C ATOM 0 H ILE A 39 -3.974 9.156 6.047 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.142 9.621 3.778 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.672 9.776 6.783 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.843 12.040 4.768 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.166 11.567 5.815 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.480 10.786 6.156 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.323 9.126 5.535 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.105 10.510 4.438 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.957 13.480 6.739 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.788 12.062 7.801 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.445 12.543 6.737 1.00 0.00 H new ATOM 659 N VAL A 40 -1.501 7.202 3.827 1.00 0.00 N ATOM 660 CA VAL A 40 -1.111 5.803 3.859 1.00 0.00 C ATOM 661 C VAL A 40 0.314 5.671 4.373 1.00 0.00 C ATOM 662 O VAL A 40 1.237 6.355 3.913 1.00 0.00 O ATOM 663 CB VAL A 40 -1.253 5.111 2.479 1.00 0.00 C ATOM 664 CG1 VAL A 40 -2.669 5.261 1.953 1.00 0.00 C ATOM 665 CG2 VAL A 40 -0.258 5.659 1.475 1.00 0.00 C ATOM 0 H VAL A 40 -1.490 7.629 2.901 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.794 5.294 4.539 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.037 4.052 2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.751 4.770 0.984 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.368 4.802 2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.907 6.319 1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.387 5.150 0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.426 6.728 1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.756 5.493 1.840 1.00 0.00 H new ATOM 675 N THR A 41 0.477 4.825 5.363 1.00 0.00 N ATOM 676 CA THR A 41 1.775 4.592 5.946 1.00 0.00 C ATOM 677 C THR A 41 2.479 3.455 5.220 1.00 0.00 C ATOM 678 O THR A 41 1.827 2.591 4.625 1.00 0.00 O ATOM 679 CB THR A 41 1.645 4.263 7.447 1.00 0.00 C ATOM 680 OG1 THR A 41 0.747 3.158 7.632 1.00 0.00 O ATOM 681 CG2 THR A 41 1.143 5.473 8.223 1.00 0.00 C ATOM 0 H THR A 41 -0.279 4.284 5.783 1.00 0.00 H new ATOM 0 HA THR A 41 2.368 5.500 5.842 1.00 0.00 H new ATOM 0 HB THR A 41 2.631 3.993 7.826 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.671 2.954 8.588 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.059 5.218 9.279 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.845 6.299 8.104 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.166 5.770 7.842 1.00 0.00 H new ATOM 689 N PRO A 42 3.820 3.437 5.244 1.00 0.00 N ATOM 690 CA PRO A 42 4.607 2.378 4.603 1.00 0.00 C ATOM 691 C PRO A 42 4.263 1.001 5.165 1.00 0.00 C ATOM 692 O PRO A 42 4.451 -0.021 4.504 1.00 0.00 O ATOM 693 CB PRO A 42 6.059 2.744 4.936 1.00 0.00 C ATOM 694 CG PRO A 42 5.968 3.693 6.084 1.00 0.00 C ATOM 695 CD PRO A 42 4.682 4.440 5.891 1.00 0.00 C ATOM 0 HA PRO A 42 4.414 2.317 3.532 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.638 1.859 5.201 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.555 3.205 4.082 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.972 3.159 7.034 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.819 4.374 6.097 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.266 4.781 6.839 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.816 5.323 5.266 1.00 0.00 H new ATOM 703 N GLU A 43 3.744 0.999 6.387 1.00 0.00 N ATOM 704 CA GLU A 43 3.324 -0.222 7.057 1.00 0.00 C ATOM 705 C GLU A 43 2.207 -0.894 6.266 1.00 0.00 C ATOM 706 O GLU A 43 2.267 -2.084 5.975 1.00 0.00 O ATOM 707 CB GLU A 43 2.823 0.102 8.467 1.00 0.00 C ATOM 708 CG GLU A 43 3.662 1.138 9.206 1.00 0.00 C ATOM 709 CD GLU A 43 5.106 0.718 9.394 1.00 0.00 C ATOM 710 OE1 GLU A 43 5.399 0.020 10.385 1.00 0.00 O ATOM 711 OE2 GLU A 43 5.954 1.098 8.560 1.00 0.00 O ATOM 0 H GLU A 43 3.603 1.845 6.940 1.00 0.00 H new ATOM 0 HA GLU A 43 4.177 -0.897 7.122 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.796 0.462 8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.802 -0.817 9.053 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.633 2.078 8.655 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.216 1.327 10.182 1.00 0.00 H new ATOM 718 N LEU A 44 1.197 -0.106 5.911 1.00 0.00 N ATOM 719 CA LEU A 44 0.047 -0.606 5.164 1.00 0.00 C ATOM 720 C LEU A 44 0.445 -1.025 3.756 1.00 0.00 C ATOM 721 O LEU A 44 -0.067 -2.010 3.223 1.00 0.00 O ATOM 722 CB LEU A 44 -1.052 0.458 5.107 1.00 0.00 C ATOM 723 CG LEU A 44 -2.071 0.413 6.252 1.00 0.00 C ATOM 724 CD1 LEU A 44 -1.405 0.627 7.599 1.00 0.00 C ATOM 725 CD2 LEU A 44 -3.158 1.450 6.034 1.00 0.00 C ATOM 0 H LEU A 44 1.152 0.889 6.131 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.335 -1.485 5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.582 1.441 5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.587 0.353 4.163 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.521 -0.580 6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.157 0.589 8.387 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.664 -0.154 7.767 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.915 1.601 7.612 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.873 1.405 6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.711 2.443 5.996 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.671 1.247 5.094 1.00 0.00 H new ATOM 737 N VAL A 45 1.365 -0.282 3.161 1.00 0.00 N ATOM 738 CA VAL A 45 1.845 -0.601 1.825 1.00 0.00 C ATOM 739 C VAL A 45 2.564 -1.945 1.815 1.00 0.00 C ATOM 740 O VAL A 45 2.322 -2.784 0.948 1.00 0.00 O ATOM 741 CB VAL A 45 2.793 0.488 1.293 1.00 0.00 C ATOM 742 CG1 VAL A 45 3.257 0.161 -0.119 1.00 0.00 C ATOM 743 CG2 VAL A 45 2.116 1.847 1.332 1.00 0.00 C ATOM 0 H VAL A 45 1.793 0.543 3.580 1.00 0.00 H new ATOM 0 HA VAL A 45 0.973 -0.653 1.174 1.00 0.00 H new ATOM 0 HB VAL A 45 3.671 0.520 1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.926 0.945 -0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.785 -0.793 -0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.393 0.096 -0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.801 2.606 0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.219 1.825 0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.842 2.087 2.359 1.00 0.00 H new ATOM 753 N GLU A 46 3.443 -2.147 2.791 1.00 0.00 N ATOM 754 CA GLU A 46 4.168 -3.403 2.903 1.00 0.00 C ATOM 755 C GLU A 46 3.219 -4.525 3.308 1.00 0.00 C ATOM 756 O GLU A 46 3.328 -5.650 2.817 1.00 0.00 O ATOM 757 CB GLU A 46 5.308 -3.280 3.913 1.00 0.00 C ATOM 758 CG GLU A 46 6.123 -4.554 4.050 1.00 0.00 C ATOM 759 CD GLU A 46 7.336 -4.380 4.930 1.00 0.00 C ATOM 760 OE1 GLU A 46 8.370 -3.890 4.430 1.00 0.00 O ATOM 761 OE2 GLU A 46 7.267 -4.741 6.121 1.00 0.00 O ATOM 0 H GLU A 46 3.668 -1.460 3.511 1.00 0.00 H new ATOM 0 HA GLU A 46 4.597 -3.641 1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.966 -2.465 3.611 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.896 -3.013 4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.491 -5.342 4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.441 -4.884 3.061 1.00 0.00 H new ATOM 768 N GLN A 47 2.282 -4.203 4.192 1.00 0.00 N ATOM 769 CA GLN A 47 1.287 -5.163 4.647 1.00 0.00 C ATOM 770 C GLN A 47 0.559 -5.768 3.451 1.00 0.00 C ATOM 771 O GLN A 47 0.421 -6.989 3.350 1.00 0.00 O ATOM 772 CB GLN A 47 0.289 -4.479 5.596 1.00 0.00 C ATOM 773 CG GLN A 47 -0.588 -5.440 6.386 1.00 0.00 C ATOM 774 CD GLN A 47 -1.687 -6.076 5.556 1.00 0.00 C ATOM 775 OE1 GLN A 47 -2.237 -5.462 4.645 1.00 0.00 O ATOM 776 NE2 GLN A 47 -1.986 -7.326 5.846 1.00 0.00 N ATOM 0 H GLN A 47 2.192 -3.277 4.610 1.00 0.00 H new ATOM 0 HA GLN A 47 1.788 -5.964 5.190 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.843 -3.853 6.296 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.352 -3.817 5.014 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.037 -6.226 6.810 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.038 -4.905 7.222 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.506 -7.801 6.611 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.697 -7.819 5.306 1.00 0.00 H new ATOM 785 N ALA A 48 0.123 -4.912 2.536 1.00 0.00 N ATOM 786 CA ALA A 48 -0.584 -5.368 1.349 1.00 0.00 C ATOM 787 C ALA A 48 0.324 -6.214 0.462 1.00 0.00 C ATOM 788 O ALA A 48 -0.138 -7.135 -0.214 1.00 0.00 O ATOM 789 CB ALA A 48 -1.149 -4.185 0.573 1.00 0.00 C ATOM 0 H ALA A 48 0.247 -3.901 2.594 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.416 -5.995 1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.674 -4.547 -0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.843 -3.632 1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.335 -3.528 0.268 1.00 0.00 H new ATOM 795 N ARG A 49 1.623 -5.919 0.487 1.00 0.00 N ATOM 796 CA ARG A 49 2.592 -6.713 -0.257 1.00 0.00 C ATOM 797 C ARG A 49 2.664 -8.112 0.338 1.00 0.00 C ATOM 798 O ARG A 49 2.902 -9.090 -0.367 1.00 0.00 O ATOM 799 CB ARG A 49 3.977 -6.064 -0.235 1.00 0.00 C ATOM 800 CG ARG A 49 4.979 -6.751 -1.154 1.00 0.00 C ATOM 801 CD ARG A 49 6.384 -6.225 -0.936 1.00 0.00 C ATOM 802 NE ARG A 49 7.363 -6.888 -1.804 1.00 0.00 N ATOM 803 CZ ARG A 49 8.683 -6.887 -1.592 1.00 0.00 C ATOM 804 NH1 ARG A 49 9.196 -6.290 -0.526 1.00 0.00 N ATOM 805 NH2 ARG A 49 9.494 -7.497 -2.445 1.00 0.00 N ATOM 0 H ARG A 49 2.024 -5.141 1.011 1.00 0.00 H new ATOM 0 HA ARG A 49 2.266 -6.770 -1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.885 -5.018 -0.527 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.361 -6.078 0.785 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.960 -7.826 -0.976 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.688 -6.595 -2.193 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.402 -5.152 -1.124 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.667 -6.371 0.106 1.00 0.00 H new ATOM 0 HE ARG A 49 7.013 -7.383 -2.624 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.582 -5.825 0.143 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.205 -6.296 -0.374 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.111 -7.968 -3.265 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.501 -7.495 -2.282 1.00 0.00 H new ATOM 819 N LEU A 50 2.442 -8.197 1.643 1.00 0.00 N ATOM 820 CA LEU A 50 2.442 -9.477 2.335 1.00 0.00 C ATOM 821 C LEU A 50 1.106 -10.189 2.187 1.00 0.00 C ATOM 822 O LEU A 50 1.044 -11.411 2.282 1.00 0.00 O ATOM 823 CB LEU A 50 2.805 -9.309 3.811 1.00 0.00 C ATOM 824 CG LEU A 50 4.294 -9.471 4.114 1.00 0.00 C ATOM 825 CD1 LEU A 50 4.784 -10.807 3.582 1.00 0.00 C ATOM 826 CD2 LEU A 50 5.104 -8.334 3.511 1.00 0.00 C ATOM 0 H LEU A 50 2.259 -7.393 2.243 1.00 0.00 H new ATOM 0 HA LEU A 50 3.206 -10.098 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.484 -8.321 4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.245 -10.039 4.396 1.00 0.00 H new ATOM 0 HG LEU A 50 4.430 -9.442 5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.846 -10.918 3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.229 -11.614 4.060 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.629 -10.848 2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.159 -8.476 3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.968 -8.324 2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.766 -7.385 3.928 1.00 0.00 H new ATOM 838 N GLU A 51 0.041 -9.432 1.962 1.00 0.00 N ATOM 839 CA GLU A 51 -1.251 -10.025 1.629 1.00 0.00 C ATOM 840 C GLU A 51 -1.103 -10.913 0.403 1.00 0.00 C ATOM 841 O GLU A 51 -1.463 -12.089 0.416 1.00 0.00 O ATOM 842 CB GLU A 51 -2.298 -8.942 1.356 1.00 0.00 C ATOM 843 CG GLU A 51 -2.763 -8.213 2.601 1.00 0.00 C ATOM 844 CD GLU A 51 -3.575 -9.099 3.521 1.00 0.00 C ATOM 845 OE1 GLU A 51 -4.788 -9.256 3.278 1.00 0.00 O ATOM 846 OE2 GLU A 51 -3.013 -9.631 4.500 1.00 0.00 O ATOM 0 H GLU A 51 0.043 -8.413 2.003 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.586 -10.620 2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.883 -8.217 0.655 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.160 -9.398 0.870 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.896 -7.832 3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.362 -7.350 2.311 1.00 0.00 H new ATOM 853 N PHE A 52 -0.523 -10.348 -0.645 1.00 0.00 N ATOM 854 CA PHE A 52 -0.316 -11.080 -1.884 1.00 0.00 C ATOM 855 C PHE A 52 0.926 -11.952 -1.767 1.00 0.00 C ATOM 856 O PHE A 52 1.091 -12.924 -2.503 1.00 0.00 O ATOM 857 CB PHE A 52 -0.185 -10.119 -3.067 1.00 0.00 C ATOM 858 CG PHE A 52 -1.399 -9.258 -3.276 1.00 0.00 C ATOM 859 CD1 PHE A 52 -2.565 -9.795 -3.796 1.00 0.00 C ATOM 860 CD2 PHE A 52 -1.374 -7.910 -2.952 1.00 0.00 C ATOM 861 CE1 PHE A 52 -3.684 -9.008 -3.989 1.00 0.00 C ATOM 862 CE2 PHE A 52 -2.489 -7.117 -3.142 1.00 0.00 C ATOM 863 CZ PHE A 52 -3.646 -7.665 -3.661 1.00 0.00 C ATOM 0 H PHE A 52 -0.188 -9.385 -0.662 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.182 -11.717 -2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.683 -9.478 -2.910 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.003 -10.694 -3.973 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.600 -10.843 -4.054 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.472 -7.475 -2.546 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.586 -9.441 -4.395 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.456 -6.069 -2.885 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.519 -7.046 -3.810 1.00 0.00 H new ATOM 873 N GLY A 53 1.782 -11.599 -0.821 1.00 0.00 N ATOM 874 CA GLY A 53 2.998 -12.352 -0.584 1.00 0.00 C ATOM 875 C GLY A 53 2.737 -13.661 0.135 1.00 0.00 C ATOM 876 O GLY A 53 3.506 -14.605 0.008 1.00 0.00 O ATOM 0 H GLY A 53 1.655 -10.795 -0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.488 -12.555 -1.536 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.687 -11.748 0.006 1.00 0.00 H new ATOM 880 N GLN A 54 1.662 -13.711 0.910 1.00 0.00 N ATOM 881 CA GLN A 54 1.271 -14.942 1.584 1.00 0.00 C ATOM 882 C GLN A 54 0.366 -15.778 0.693 1.00 0.00 C ATOM 883 O GLN A 54 0.391 -17.006 0.754 1.00 0.00 O ATOM 884 CB GLN A 54 0.580 -14.644 2.919 1.00 0.00 C ATOM 885 CG GLN A 54 1.500 -14.020 3.961 1.00 0.00 C ATOM 886 CD GLN A 54 2.742 -14.851 4.215 1.00 0.00 C ATOM 887 OE1 GLN A 54 2.745 -15.739 5.066 1.00 0.00 O ATOM 888 NE2 GLN A 54 3.812 -14.564 3.488 1.00 0.00 N ATOM 0 H GLN A 54 1.047 -12.917 1.087 1.00 0.00 H new ATOM 0 HA GLN A 54 2.177 -15.512 1.791 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.260 -13.973 2.741 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.168 -15.570 3.319 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.795 -13.024 3.630 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.953 -13.896 4.896 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.771 -13.820 2.791 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.677 -15.087 3.625 1.00 0.00 H new ATOM 897 N LEU A 55 -0.440 -15.114 -0.128 1.00 0.00 N ATOM 898 CA LEU A 55 -1.263 -15.817 -1.107 1.00 0.00 C ATOM 899 C LEU A 55 -0.387 -16.389 -2.217 1.00 0.00 C ATOM 900 O LEU A 55 -0.695 -17.433 -2.793 1.00 0.00 O ATOM 901 CB LEU A 55 -2.319 -14.882 -1.702 1.00 0.00 C ATOM 902 CG LEU A 55 -3.347 -14.334 -0.705 1.00 0.00 C ATOM 903 CD1 LEU A 55 -4.322 -13.404 -1.405 1.00 0.00 C ATOM 904 CD2 LEU A 55 -4.090 -15.473 -0.019 1.00 0.00 C ATOM 0 H LEU A 55 -0.541 -14.099 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.774 -16.635 -0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.811 -14.041 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.850 -15.416 -2.490 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.816 -13.765 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.045 -13.024 -0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.776 -12.570 -1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.846 -13.950 -2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.815 -15.063 0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.609 -16.072 -0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.378 -16.101 0.518 1.00 0.00 H new ATOM 916 N GLU A 56 0.704 -15.678 -2.497 1.00 0.00 N ATOM 917 CA GLU A 56 1.707 -16.091 -3.478 1.00 0.00 C ATOM 918 C GLU A 56 1.096 -16.324 -4.854 1.00 0.00 C ATOM 919 O GLU A 56 0.829 -17.458 -5.256 1.00 0.00 O ATOM 920 CB GLU A 56 2.464 -17.335 -3.007 1.00 0.00 C ATOM 921 CG GLU A 56 3.144 -17.144 -1.664 1.00 0.00 C ATOM 922 CD GLU A 56 4.144 -18.229 -1.345 1.00 0.00 C ATOM 923 OE1 GLU A 56 3.735 -19.297 -0.842 1.00 0.00 O ATOM 924 OE2 GLU A 56 5.349 -18.012 -1.580 1.00 0.00 O ATOM 0 H GLU A 56 0.919 -14.790 -2.044 1.00 0.00 H new ATOM 0 HA GLU A 56 2.418 -15.270 -3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.769 -18.172 -2.940 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.213 -17.601 -3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.650 -16.178 -1.654 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.386 -17.115 -0.881 1.00 0.00 H new ATOM 931 N HIS A 57 0.887 -15.237 -5.579 1.00 0.00 N ATOM 932 CA HIS A 57 0.303 -15.310 -6.907 1.00 0.00 C ATOM 933 C HIS A 57 1.405 -15.492 -7.949 1.00 0.00 C ATOM 934 O HIS A 57 1.530 -14.706 -8.888 1.00 0.00 O ATOM 935 CB HIS A 57 -0.507 -14.039 -7.189 1.00 0.00 C ATOM 936 CG HIS A 57 -1.537 -14.210 -8.263 1.00 0.00 C ATOM 937 ND1 HIS A 57 -2.707 -14.910 -8.068 1.00 0.00 N ATOM 938 CD2 HIS A 57 -1.582 -13.754 -9.537 1.00 0.00 C ATOM 939 CE1 HIS A 57 -3.424 -14.885 -9.175 1.00 0.00 C ATOM 940 NE2 HIS A 57 -2.767 -14.189 -10.080 1.00 0.00 N ATOM 0 H HIS A 57 1.114 -14.292 -5.269 1.00 0.00 H new ATOM 0 HA HIS A 57 -0.368 -16.167 -6.961 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.001 -13.722 -6.271 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.176 -13.239 -7.476 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.829 -13.160 -10.033 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.386 -15.355 -9.315 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.086 -14.003 -11.031 1.00 0.00 H new ATOM 949 N HIS A 58 2.207 -16.534 -7.762 1.00 0.00 N ATOM 950 CA HIS A 58 3.332 -16.818 -8.652 1.00 0.00 C ATOM 951 C HIS A 58 2.841 -17.384 -9.982 1.00 0.00 C ATOM 952 O HIS A 58 1.728 -17.906 -10.069 1.00 0.00 O ATOM 953 CB HIS A 58 4.328 -17.784 -7.987 1.00 0.00 C ATOM 954 CG HIS A 58 3.783 -19.151 -7.684 1.00 0.00 C ATOM 955 ND1 HIS A 58 4.079 -20.264 -8.440 1.00 0.00 N ATOM 956 CD2 HIS A 58 2.979 -19.587 -6.684 1.00 0.00 C ATOM 957 CE1 HIS A 58 3.480 -21.318 -7.925 1.00 0.00 C ATOM 958 NE2 HIS A 58 2.807 -20.938 -6.859 1.00 0.00 N ATOM 0 H HIS A 58 2.100 -17.201 -6.998 1.00 0.00 H new ATOM 0 HA HIS A 58 3.850 -15.879 -8.850 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.196 -17.892 -8.638 1.00 0.00 H new ATOM 0 HB3 HIS A 58 4.680 -17.336 -7.058 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.553 -18.984 -5.896 1.00 0.00 H new ATOM 0 HE1 HIS A 58 3.532 -22.325 -8.312 1.00 0.00 H new ATOM 0 HE2 HIS A 58 2.249 -21.548 -6.261 1.00 0.00 H new ATOM 967 N HIS A 59 3.677 -17.297 -11.010 1.00 0.00 N ATOM 968 CA HIS A 59 3.282 -17.711 -12.351 1.00 0.00 C ATOM 969 C HIS A 59 4.397 -18.482 -13.051 1.00 0.00 C ATOM 970 O HIS A 59 5.453 -18.726 -12.470 1.00 0.00 O ATOM 971 CB HIS A 59 2.836 -16.504 -13.191 1.00 0.00 C ATOM 972 CG HIS A 59 3.860 -15.415 -13.353 1.00 0.00 C ATOM 973 ND1 HIS A 59 4.394 -15.063 -14.571 1.00 0.00 N ATOM 974 CD2 HIS A 59 4.405 -14.567 -12.450 1.00 0.00 C ATOM 975 CE1 HIS A 59 5.223 -14.052 -14.413 1.00 0.00 C ATOM 976 NE2 HIS A 59 5.248 -13.725 -13.133 1.00 0.00 N ATOM 0 H HIS A 59 4.631 -16.944 -10.941 1.00 0.00 H new ATOM 0 HA HIS A 59 2.432 -18.385 -12.249 1.00 0.00 H new ATOM 0 HB2 HIS A 59 2.548 -16.859 -14.181 1.00 0.00 H new ATOM 0 HB3 HIS A 59 1.944 -16.075 -12.734 1.00 0.00 H new ATOM 0 HD2 HIS A 59 4.212 -14.555 -11.387 1.00 0.00 H new ATOM 0 HE1 HIS A 59 5.788 -13.571 -15.198 1.00 0.00 H new ATOM 0 HE2 HIS A 59 5.801 -12.973 -12.721 1.00 0.00 H new ATOM 985 N HIS A 60 4.155 -18.846 -14.306 1.00 0.00 N ATOM 986 CA HIS A 60 5.027 -19.770 -15.031 1.00 0.00 C ATOM 987 C HIS A 60 6.414 -19.184 -15.287 1.00 0.00 C ATOM 988 O HIS A 60 6.555 -18.218 -16.037 1.00 0.00 O ATOM 989 CB HIS A 60 4.394 -20.176 -16.366 1.00 0.00 C ATOM 990 CG HIS A 60 3.078 -20.874 -16.219 1.00 0.00 C ATOM 991 ND1 HIS A 60 1.917 -20.432 -16.814 1.00 0.00 N ATOM 992 CD2 HIS A 60 2.742 -21.992 -15.535 1.00 0.00 C ATOM 993 CE1 HIS A 60 0.927 -21.243 -16.501 1.00 0.00 C ATOM 994 NE2 HIS A 60 1.399 -22.200 -15.725 1.00 0.00 N ATOM 0 H HIS A 60 3.357 -18.514 -14.847 1.00 0.00 H new ATOM 0 HA HIS A 60 5.145 -20.648 -14.396 1.00 0.00 H new ATOM 0 HB2 HIS A 60 4.257 -19.285 -16.979 1.00 0.00 H new ATOM 0 HB3 HIS A 60 5.084 -20.828 -16.902 1.00 0.00 H new ATOM 0 HD2 HIS A 60 3.408 -22.607 -14.948 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.098 -21.142 -16.825 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.855 -22.968 -15.331 1.00 0.00 H new ATOM 1003 N HIS A 61 7.418 -19.788 -14.654 1.00 0.00 N ATOM 1004 CA HIS A 61 8.829 -19.455 -14.880 1.00 0.00 C ATOM 1005 C HIS A 61 9.112 -17.965 -14.713 1.00 0.00 C ATOM 1006 O HIS A 61 9.297 -17.246 -15.700 1.00 0.00 O ATOM 1007 CB HIS A 61 9.288 -19.906 -16.273 1.00 0.00 C ATOM 1008 CG HIS A 61 9.209 -21.386 -16.494 1.00 0.00 C ATOM 1009 ND1 HIS A 61 8.752 -21.947 -17.665 1.00 0.00 N ATOM 1010 CD2 HIS A 61 9.538 -22.424 -15.686 1.00 0.00 C ATOM 1011 CE1 HIS A 61 8.803 -23.262 -17.570 1.00 0.00 C ATOM 1012 NE2 HIS A 61 9.277 -23.578 -16.380 1.00 0.00 N ATOM 0 H HIS A 61 7.278 -20.527 -13.965 1.00 0.00 H new ATOM 0 HA HIS A 61 9.393 -19.994 -14.118 1.00 0.00 H new ATOM 0 HB2 HIS A 61 8.679 -19.404 -17.025 1.00 0.00 H new ATOM 0 HB3 HIS A 61 10.317 -19.581 -16.428 1.00 0.00 H new ATOM 0 HD2 HIS A 61 9.932 -22.355 -14.683 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.507 -23.962 -18.337 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.425 -24.526 -16.033 1.00 0.00 H new ATOM 1021 N HIS A 62 9.124 -17.510 -13.464 1.00 0.00 N ATOM 1022 CA HIS A 62 9.499 -16.137 -13.137 1.00 0.00 C ATOM 1023 C HIS A 62 9.388 -15.921 -11.635 1.00 0.00 C ATOM 1024 O HIS A 62 8.395 -15.313 -11.194 1.00 0.00 O ATOM 1025 CB HIS A 62 8.618 -15.115 -13.871 1.00 0.00 C ATOM 1026 CG HIS A 62 9.166 -13.717 -13.843 1.00 0.00 C ATOM 1027 ND1 HIS A 62 9.842 -13.158 -14.905 1.00 0.00 N ATOM 1028 CD2 HIS A 62 9.132 -12.762 -12.879 1.00 0.00 C ATOM 1029 CE1 HIS A 62 10.201 -11.927 -14.597 1.00 0.00 C ATOM 1030 NE2 HIS A 62 9.784 -11.662 -13.375 1.00 0.00 N ATOM 1031 OXT HIS A 62 10.280 -16.385 -10.903 1.00 0.00 O ATOM 0 H HIS A 62 8.876 -18.078 -12.654 1.00 0.00 H new ATOM 0 HA HIS A 62 10.528 -15.986 -13.462 1.00 0.00 H new ATOM 0 HB2 HIS A 62 8.499 -15.429 -14.908 1.00 0.00 H new ATOM 0 HB3 HIS A 62 7.625 -15.116 -13.422 1.00 0.00 H new ATOM 0 HD2 HIS A 62 8.677 -12.852 -11.904 1.00 0.00 H new ATOM 0 HE1 HIS A 62 10.745 -11.250 -15.238 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.924 -10.782 -12.879 1.00 0.00 H new TER 1040 HIS A 62