USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 548 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 18 CYS SG : rot 106:sc= 0.446 USER MOD Set 1.2: A 67 CYS SG : rot 180:sc= 0.857 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -150:sc= -0.126 (180deg=-0.887) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 160:sc= -0.0507 (180deg=-0.366) USER MOD Single : A 16 THR OG1 : rot 73:sc= 0.804 USER MOD Single : A 19 GLN : amide:sc= -0.291 K(o=-0.29,f=-1.3!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.735 USER MOD Single : A 28 CYS SG : rot 62:sc= 1.24 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.15) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -155:sc= -0.0857 (180deg=-0.409) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -3.36! C(o=-3.4!,f=-3.6!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 TYR OH : rot 154:sc= 0.355 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.0146 X(o=-0.015,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.766 0.488 -0.345 1.00 35.40 N ATOM 2 CA MET A 1 2.639 0.530 -1.512 1.00 54.23 C ATOM 3 C MET A 1 3.600 1.712 -1.429 1.00 72.24 C ATOM 4 O MET A 1 4.776 1.592 -1.769 1.00 41.55 O ATOM 5 CB MET A 1 1.808 0.622 -2.794 1.00 1.31 C ATOM 6 CG MET A 1 0.893 -0.571 -3.012 1.00 34.42 C ATOM 7 SD MET A 1 -0.525 -0.178 -4.054 1.00 70.24 S ATOM 8 CE MET A 1 -0.492 -1.553 -5.203 1.00 14.45 C ATOM 0 H1 MET A 1 1.506 -0.498 -0.142 1.00 35.40 H new ATOM 0 H2 MET A 1 2.263 0.891 0.475 1.00 35.40 H new ATOM 0 H3 MET A 1 0.906 1.041 -0.535 1.00 35.40 H new ATOM 0 HA MET A 1 3.223 -0.390 -1.532 1.00 54.23 H new ATOM 0 HB2 MET A 1 1.206 1.530 -2.763 1.00 1.31 H new ATOM 0 HB3 MET A 1 2.480 0.715 -3.647 1.00 1.31 H new ATOM 0 HG2 MET A 1 1.461 -1.381 -3.469 1.00 34.42 H new ATOM 0 HG3 MET A 1 0.540 -0.934 -2.047 1.00 34.42 H new ATOM 0 HE1 MET A 1 -1.312 -1.453 -5.914 1.00 14.45 H new ATOM 0 HE2 MET A 1 0.456 -1.555 -5.740 1.00 14.45 H new ATOM 0 HE3 MET A 1 -0.600 -2.488 -4.654 1.00 14.45 H new ATOM 18 N GLY A 2 3.090 2.853 -0.975 1.00 64.12 N ATOM 19 CA GLY A 2 3.918 4.039 -0.857 1.00 14.44 C ATOM 20 C GLY A 2 4.413 4.537 -2.200 1.00 4.22 C ATOM 21 O GLY A 2 3.644 4.634 -3.156 1.00 1.52 O ATOM 0 H GLY A 2 2.119 2.977 -0.687 1.00 64.12 H new ATOM 0 HA2 GLY A 2 3.348 4.829 -0.368 1.00 14.44 H new ATOM 0 HA3 GLY A 2 4.773 3.819 -0.217 1.00 14.44 H new ATOM 25 N SER A 3 5.702 4.855 -2.273 1.00 30.14 N ATOM 26 CA SER A 3 6.298 5.351 -3.507 1.00 64.13 C ATOM 27 C SER A 3 7.060 4.242 -4.227 1.00 34.42 C ATOM 28 O SER A 3 8.004 4.504 -4.971 1.00 40.24 O ATOM 29 CB SER A 3 7.239 6.521 -3.210 1.00 72.44 C ATOM 30 OG SER A 3 6.510 7.690 -2.879 1.00 73.30 O ATOM 0 H SER A 3 6.353 4.778 -1.492 1.00 30.14 H new ATOM 0 HA SER A 3 5.493 5.696 -4.156 1.00 64.13 H new ATOM 0 HB2 SER A 3 7.903 6.258 -2.387 1.00 72.44 H new ATOM 0 HB3 SER A 3 7.869 6.715 -4.078 1.00 72.44 H new ATOM 0 HG SER A 3 7.134 8.422 -2.692 1.00 73.30 H new ATOM 36 N TRP A 4 6.641 3.002 -3.998 1.00 45.03 N ATOM 37 CA TRP A 4 7.283 1.852 -4.624 1.00 63.53 C ATOM 38 C TRP A 4 7.034 1.840 -6.128 1.00 55.43 C ATOM 39 O TRP A 4 7.972 1.783 -6.922 1.00 61.31 O ATOM 40 CB TRP A 4 6.770 0.553 -4.000 1.00 21.01 C ATOM 41 CG TRP A 4 7.239 -0.677 -4.717 1.00 52.21 C ATOM 42 CD1 TRP A 4 6.737 -1.189 -5.880 1.00 3.33 C ATOM 43 CD2 TRP A 4 8.301 -1.549 -4.317 1.00 61.54 C ATOM 44 NE1 TRP A 4 7.424 -2.327 -6.227 1.00 32.33 N ATOM 45 CE2 TRP A 4 8.389 -2.569 -5.285 1.00 73.41 C ATOM 46 CE3 TRP A 4 9.188 -1.568 -3.238 1.00 10.43 C ATOM 47 CZ2 TRP A 4 9.327 -3.595 -5.202 1.00 52.14 C ATOM 48 CZ3 TRP A 4 10.118 -2.586 -3.157 1.00 22.31 C ATOM 49 CH2 TRP A 4 10.183 -3.588 -4.135 1.00 14.04 C ATOM 0 H TRP A 4 5.861 2.768 -3.384 1.00 45.03 H new ATOM 0 HA TRP A 4 8.357 1.930 -4.453 1.00 63.53 H new ATOM 0 HB2 TRP A 4 7.095 0.505 -2.961 1.00 21.01 H new ATOM 0 HB3 TRP A 4 5.680 0.567 -3.993 1.00 21.01 H new ATOM 0 HD1 TRP A 4 5.921 -0.762 -6.443 1.00 3.33 H new ATOM 0 HE1 TRP A 4 7.245 -2.899 -7.052 1.00 32.33 H new ATOM 0 HE3 TRP A 4 9.147 -0.800 -2.480 1.00 10.43 H new ATOM 0 HZ2 TRP A 4 9.377 -4.369 -5.954 1.00 52.14 H new ATOM 0 HZ3 TRP A 4 10.807 -2.610 -2.326 1.00 22.31 H new ATOM 0 HH2 TRP A 4 10.923 -4.369 -4.044 1.00 14.04 H new ATOM 60 N ALA A 5 5.763 1.896 -6.513 1.00 53.12 N ATOM 61 CA ALA A 5 5.391 1.895 -7.923 1.00 34.45 C ATOM 62 C ALA A 5 6.168 2.954 -8.697 1.00 14.25 C ATOM 63 O ALA A 5 6.704 2.682 -9.770 1.00 50.20 O ATOM 64 CB ALA A 5 3.893 2.120 -8.073 1.00 65.14 C ATOM 0 H ALA A 5 4.974 1.943 -5.869 1.00 53.12 H new ATOM 0 HA ALA A 5 5.645 0.920 -8.340 1.00 34.45 H new ATOM 0 HB1 ALA A 5 3.629 2.117 -9.130 1.00 65.14 H new ATOM 0 HB2 ALA A 5 3.352 1.324 -7.562 1.00 65.14 H new ATOM 0 HB3 ALA A 5 3.624 3.081 -7.634 1.00 65.14 H new ATOM 70 N GLU A 6 6.223 4.162 -8.144 1.00 53.34 N ATOM 71 CA GLU A 6 6.933 5.263 -8.785 1.00 63.43 C ATOM 72 C GLU A 6 8.416 4.936 -8.941 1.00 73.51 C ATOM 73 O GLU A 6 8.988 5.096 -10.019 1.00 44.11 O ATOM 74 CB GLU A 6 6.766 6.549 -7.973 1.00 61.34 C ATOM 75 CG GLU A 6 6.022 7.645 -8.717 1.00 13.24 C ATOM 76 CD GLU A 6 6.146 8.996 -8.040 1.00 13.42 C ATOM 77 OE1 GLU A 6 7.152 9.215 -7.333 1.00 11.02 O ATOM 78 OE2 GLU A 6 5.237 9.835 -8.216 1.00 64.35 O ATOM 0 H GLU A 6 5.785 4.403 -7.255 1.00 53.34 H new ATOM 0 HA GLU A 6 6.504 5.410 -9.776 1.00 63.43 H new ATOM 0 HB2 GLU A 6 6.232 6.320 -7.051 1.00 61.34 H new ATOM 0 HB3 GLU A 6 7.751 6.919 -7.687 1.00 61.34 H new ATOM 0 HG2 GLU A 6 6.408 7.715 -9.734 1.00 13.24 H new ATOM 0 HG3 GLU A 6 4.968 7.376 -8.794 1.00 13.24 H new ATOM 85 N PHE A 7 9.031 4.476 -7.857 1.00 4.44 N ATOM 86 CA PHE A 7 10.447 4.128 -7.871 1.00 43.02 C ATOM 87 C PHE A 7 10.720 3.001 -8.863 1.00 50.01 C ATOM 88 O PHE A 7 11.742 2.996 -9.549 1.00 62.32 O ATOM 89 CB PHE A 7 10.907 3.713 -6.472 1.00 14.22 C ATOM 90 CG PHE A 7 11.581 4.818 -5.710 1.00 40.22 C ATOM 91 CD1 PHE A 7 10.852 5.898 -5.239 1.00 53.23 C ATOM 92 CD2 PHE A 7 12.944 4.777 -5.465 1.00 30.24 C ATOM 93 CE1 PHE A 7 11.470 6.917 -4.539 1.00 21.41 C ATOM 94 CE2 PHE A 7 13.568 5.792 -4.764 1.00 52.23 C ATOM 95 CZ PHE A 7 12.829 6.863 -4.300 1.00 25.00 C ATOM 0 H PHE A 7 8.571 4.335 -6.957 1.00 4.44 H new ATOM 0 HA PHE A 7 11.008 5.009 -8.184 1.00 43.02 H new ATOM 0 HB2 PHE A 7 10.045 3.364 -5.904 1.00 14.22 H new ATOM 0 HB3 PHE A 7 11.594 2.871 -6.559 1.00 14.22 H new ATOM 0 HD1 PHE A 7 9.788 5.944 -5.421 1.00 53.23 H new ATOM 0 HD2 PHE A 7 13.526 3.942 -5.826 1.00 30.24 H new ATOM 0 HE1 PHE A 7 10.891 7.755 -4.179 1.00 21.41 H new ATOM 0 HE2 PHE A 7 14.631 5.748 -4.579 1.00 52.23 H new ATOM 0 HZ PHE A 7 13.313 7.657 -3.751 1.00 25.00 H new ATOM 105 N LYS A 8 9.798 2.047 -8.933 1.00 21.30 N ATOM 106 CA LYS A 8 9.936 0.914 -9.840 1.00 63.33 C ATOM 107 C LYS A 8 9.871 1.370 -11.294 1.00 74.03 C ATOM 108 O LYS A 8 10.632 0.896 -12.137 1.00 74.03 O ATOM 109 CB LYS A 8 8.841 -0.120 -9.569 1.00 51.10 C ATOM 110 CG LYS A 8 9.276 -1.237 -8.637 1.00 64.41 C ATOM 111 CD LYS A 8 8.716 -2.580 -9.076 1.00 15.32 C ATOM 112 CE LYS A 8 9.372 -3.066 -10.359 1.00 2.23 C ATOM 113 NZ LYS A 8 8.856 -4.399 -10.775 1.00 62.13 N ATOM 0 H LYS A 8 8.946 2.036 -8.372 1.00 21.30 H new ATOM 0 HA LYS A 8 10.910 0.457 -9.664 1.00 63.33 H new ATOM 0 HB2 LYS A 8 7.975 0.384 -9.139 1.00 51.10 H new ATOM 0 HB3 LYS A 8 8.520 -0.553 -10.516 1.00 51.10 H new ATOM 0 HG2 LYS A 8 10.365 -1.287 -8.611 1.00 64.41 H new ATOM 0 HG3 LYS A 8 8.942 -1.017 -7.623 1.00 64.41 H new ATOM 0 HD2 LYS A 8 8.870 -3.315 -8.286 1.00 15.32 H new ATOM 0 HD3 LYS A 8 7.640 -2.495 -9.226 1.00 15.32 H new ATOM 0 HE2 LYS A 8 9.193 -2.343 -11.155 1.00 2.23 H new ATOM 0 HE3 LYS A 8 10.451 -3.123 -10.216 1.00 2.23 H new ATOM 0 HZ1 LYS A 8 9.328 -4.695 -11.653 1.00 62.13 H new ATOM 0 HZ2 LYS A 8 9.049 -5.095 -10.027 1.00 62.13 H new ATOM 0 HZ3 LYS A 8 7.830 -4.339 -10.936 1.00 62.13 H new ATOM 127 N GLN A 9 8.958 2.293 -11.579 1.00 52.15 N ATOM 128 CA GLN A 9 8.795 2.813 -12.932 1.00 14.11 C ATOM 129 C GLN A 9 10.045 3.563 -13.381 1.00 75.44 C ATOM 130 O GLN A 9 10.660 3.214 -14.389 1.00 40.42 O ATOM 131 CB GLN A 9 7.578 3.738 -13.002 1.00 62.10 C ATOM 132 CG GLN A 9 6.485 3.235 -13.930 1.00 55.25 C ATOM 133 CD GLN A 9 5.216 4.060 -13.838 1.00 50.04 C ATOM 134 OE1 GLN A 9 4.439 3.922 -12.893 1.00 61.20 O ATOM 135 NE2 GLN A 9 4.999 4.925 -14.822 1.00 61.14 N ATOM 0 H GLN A 9 8.321 2.696 -10.892 1.00 52.15 H new ATOM 0 HA GLN A 9 8.640 1.968 -13.603 1.00 14.11 H new ATOM 0 HB2 GLN A 9 7.166 3.859 -12.000 1.00 62.10 H new ATOM 0 HB3 GLN A 9 7.900 4.725 -13.335 1.00 62.10 H new ATOM 0 HG2 GLN A 9 6.850 3.250 -14.957 1.00 55.25 H new ATOM 0 HG3 GLN A 9 6.257 2.197 -13.688 1.00 55.25 H new ATOM 0 HE21 GLN A 9 5.670 5.007 -15.586 1.00 61.14 H new ATOM 0 HE22 GLN A 9 4.162 5.508 -14.814 1.00 61.14 H new ATOM 144 N ARG A 10 10.414 4.593 -12.628 1.00 13.12 N ATOM 145 CA ARG A 10 11.589 5.393 -12.950 1.00 24.22 C ATOM 146 C ARG A 10 12.826 4.510 -13.087 1.00 5.14 C ATOM 147 O ARG A 10 13.614 4.667 -14.021 1.00 21.23 O ATOM 148 CB ARG A 10 11.823 6.453 -11.872 1.00 34.44 C ATOM 149 CG ARG A 10 10.672 7.435 -11.724 1.00 62.11 C ATOM 150 CD ARG A 10 10.311 7.655 -10.263 1.00 70.54 C ATOM 151 NE ARG A 10 10.894 8.885 -9.734 1.00 74.25 N ATOM 152 CZ ARG A 10 10.516 10.100 -10.116 1.00 22.10 C ATOM 153 NH1 ARG A 10 9.561 10.247 -11.024 1.00 63.40 N ATOM 154 NH2 ARG A 10 11.094 11.172 -9.588 1.00 61.45 N ATOM 0 H ARG A 10 9.916 4.893 -11.790 1.00 13.12 H new ATOM 0 HA ARG A 10 11.409 5.889 -13.904 1.00 24.22 H new ATOM 0 HB2 ARG A 10 11.991 5.956 -10.916 1.00 34.44 H new ATOM 0 HB3 ARG A 10 12.733 7.005 -12.109 1.00 34.44 H new ATOM 0 HG2 ARG A 10 10.944 8.387 -12.180 1.00 62.11 H new ATOM 0 HG3 ARG A 10 9.801 7.061 -12.263 1.00 62.11 H new ATOM 0 HD2 ARG A 10 9.227 7.694 -10.160 1.00 70.54 H new ATOM 0 HD3 ARG A 10 10.657 6.807 -9.672 1.00 70.54 H new ATOM 0 HE ARG A 10 11.631 8.807 -9.033 1.00 74.25 H new ATOM 0 HH11 ARG A 10 9.114 9.426 -11.432 1.00 63.40 H new ATOM 0 HH12 ARG A 10 9.273 11.181 -11.315 1.00 63.40 H new ATOM 0 HH21 ARG A 10 11.829 11.063 -8.889 1.00 61.45 H new ATOM 0 HH22 ARG A 10 10.804 12.105 -9.882 1.00 61.45 H new ATOM 168 N LEU A 11 12.992 3.583 -12.150 1.00 35.31 N ATOM 169 CA LEU A 11 14.133 2.675 -12.165 1.00 62.40 C ATOM 170 C LEU A 11 14.126 1.811 -13.423 1.00 14.35 C ATOM 171 O LEU A 11 15.170 1.570 -14.028 1.00 34.44 O ATOM 172 CB LEU A 11 14.118 1.784 -10.921 1.00 42.33 C ATOM 173 CG LEU A 11 14.740 2.384 -9.659 1.00 72.53 C ATOM 174 CD1 LEU A 11 14.113 1.775 -8.415 1.00 22.54 C ATOM 175 CD2 LEU A 11 16.247 2.175 -9.656 1.00 62.34 C ATOM 0 H LEU A 11 12.350 3.441 -11.370 1.00 35.31 H new ATOM 0 HA LEU A 11 15.043 3.275 -12.164 1.00 62.40 H new ATOM 0 HB2 LEU A 11 13.084 1.518 -10.701 1.00 42.33 H new ATOM 0 HB3 LEU A 11 14.642 0.858 -11.156 1.00 42.33 H new ATOM 0 HG LEU A 11 14.542 3.456 -9.653 1.00 72.53 H new ATOM 0 HD11 LEU A 11 14.568 2.213 -7.527 1.00 22.54 H new ATOM 0 HD12 LEU A 11 13.042 1.976 -8.412 1.00 22.54 H new ATOM 0 HD13 LEU A 11 14.280 0.698 -8.414 1.00 22.54 H new ATOM 0 HD21 LEU A 11 16.673 2.608 -8.751 1.00 62.34 H new ATOM 0 HD22 LEU A 11 16.466 1.108 -9.685 1.00 62.34 H new ATOM 0 HD23 LEU A 11 16.683 2.659 -10.530 1.00 62.34 H new ATOM 187 N ALA A 12 12.941 1.351 -13.811 1.00 51.20 N ATOM 188 CA ALA A 12 12.797 0.519 -14.999 1.00 31.32 C ATOM 189 C ALA A 12 13.220 1.274 -16.254 1.00 5.54 C ATOM 190 O ALA A 12 13.936 0.739 -17.100 1.00 52.50 O ATOM 191 CB ALA A 12 11.361 0.033 -15.132 1.00 40.31 C ATOM 0 H ALA A 12 12.067 1.540 -13.320 1.00 51.20 H new ATOM 0 HA ALA A 12 13.453 -0.344 -14.889 1.00 31.32 H new ATOM 0 HB1 ALA A 12 11.268 -0.587 -16.024 1.00 40.31 H new ATOM 0 HB2 ALA A 12 11.092 -0.553 -14.253 1.00 40.31 H new ATOM 0 HB3 ALA A 12 10.693 0.890 -15.215 1.00 40.31 H new ATOM 197 N ALA A 13 12.774 2.521 -16.367 1.00 74.12 N ATOM 198 CA ALA A 13 13.108 3.350 -17.518 1.00 53.33 C ATOM 199 C ALA A 13 14.606 3.629 -17.578 1.00 13.13 C ATOM 200 O ALA A 13 15.213 3.586 -18.648 1.00 74.53 O ATOM 201 CB ALA A 13 12.327 4.656 -17.473 1.00 24.35 C ATOM 0 H ALA A 13 12.181 2.979 -15.675 1.00 74.12 H new ATOM 0 HA ALA A 13 12.830 2.804 -18.420 1.00 53.33 H new ATOM 0 HB1 ALA A 13 12.587 5.265 -18.339 1.00 24.35 H new ATOM 0 HB2 ALA A 13 11.258 4.442 -17.487 1.00 24.35 H new ATOM 0 HB3 ALA A 13 12.576 5.198 -16.560 1.00 24.35 H new ATOM 207 N ILE A 14 15.196 3.916 -16.422 1.00 53.12 N ATOM 208 CA ILE A 14 16.623 4.202 -16.344 1.00 31.51 C ATOM 209 C ILE A 14 17.450 2.981 -16.733 1.00 32.34 C ATOM 210 O ILE A 14 18.469 3.098 -17.413 1.00 4.33 O ATOM 211 CB ILE A 14 17.030 4.654 -14.929 1.00 73.10 C ATOM 212 CG1 ILE A 14 16.241 5.900 -14.522 1.00 42.30 C ATOM 213 CG2 ILE A 14 18.526 4.924 -14.869 1.00 32.20 C ATOM 214 CD1 ILE A 14 15.992 5.998 -13.033 1.00 41.32 C ATOM 0 H ILE A 14 14.708 3.957 -15.527 1.00 53.12 H new ATOM 0 HA ILE A 14 16.822 5.012 -17.046 1.00 31.51 H new ATOM 0 HB ILE A 14 16.797 3.854 -14.226 1.00 73.10 H new ATOM 0 HG12 ILE A 14 16.783 6.787 -14.851 1.00 42.30 H new ATOM 0 HG13 ILE A 14 15.284 5.900 -15.043 1.00 42.30 H new ATOM 0 HG21 ILE A 14 18.798 5.243 -13.863 1.00 32.20 H new ATOM 0 HG22 ILE A 14 19.070 4.014 -15.121 1.00 32.20 H new ATOM 0 HG23 ILE A 14 18.783 5.709 -15.580 1.00 32.20 H new ATOM 0 HD11 ILE A 14 15.428 6.905 -12.817 1.00 41.32 H new ATOM 0 HD12 ILE A 14 15.423 5.129 -12.701 1.00 41.32 H new ATOM 0 HD13 ILE A 14 16.946 6.030 -12.506 1.00 41.32 H new ATOM 226 N LYS A 15 17.003 1.807 -16.298 1.00 11.42 N ATOM 227 CA LYS A 15 17.699 0.563 -16.602 1.00 74.30 C ATOM 228 C LYS A 15 17.602 0.234 -18.088 1.00 53.45 C ATOM 229 O LYS A 15 18.579 -0.190 -18.707 1.00 34.14 O ATOM 230 CB LYS A 15 17.116 -0.586 -15.776 1.00 72.31 C ATOM 231 CG LYS A 15 18.166 -1.398 -15.037 1.00 72.04 C ATOM 232 CD LYS A 15 18.053 -2.879 -15.358 1.00 33.14 C ATOM 233 CE LYS A 15 18.878 -3.722 -14.397 1.00 14.42 C ATOM 234 NZ LYS A 15 18.336 -3.672 -13.010 1.00 60.35 N ATOM 0 H LYS A 15 16.161 1.692 -15.734 1.00 11.42 H new ATOM 0 HA LYS A 15 18.750 0.692 -16.344 1.00 74.30 H new ATOM 0 HB2 LYS A 15 16.408 -0.180 -15.054 1.00 72.31 H new ATOM 0 HB3 LYS A 15 16.555 -1.248 -16.435 1.00 72.31 H new ATOM 0 HG2 LYS A 15 19.160 -1.041 -15.307 1.00 72.04 H new ATOM 0 HG3 LYS A 15 18.054 -1.248 -13.963 1.00 72.04 H new ATOM 0 HD2 LYS A 15 17.008 -3.185 -15.307 1.00 33.14 H new ATOM 0 HD3 LYS A 15 18.388 -3.058 -16.380 1.00 33.14 H new ATOM 0 HE2 LYS A 15 18.895 -4.755 -14.743 1.00 14.42 H new ATOM 0 HE3 LYS A 15 19.909 -3.369 -14.397 1.00 14.42 H new ATOM 0 HZ1 LYS A 15 18.688 -4.488 -12.470 1.00 60.35 H new ATOM 0 HZ2 LYS A 15 18.644 -2.792 -12.548 1.00 60.35 H new ATOM 0 HZ3 LYS A 15 17.297 -3.701 -13.042 1.00 60.35 H new ATOM 248 N THR A 16 16.417 0.435 -18.658 1.00 63.13 N ATOM 249 CA THR A 16 16.193 0.161 -20.072 1.00 21.40 C ATOM 250 C THR A 16 17.089 1.028 -20.949 1.00 54.01 C ATOM 251 O THR A 16 17.817 0.521 -21.802 1.00 71.33 O ATOM 252 CB THR A 16 14.723 0.400 -20.464 1.00 72.43 C ATOM 253 OG1 THR A 16 13.867 -0.463 -19.706 1.00 62.05 O ATOM 254 CG2 THR A 16 14.512 0.153 -21.951 1.00 24.25 C ATOM 0 H THR A 16 15.598 0.787 -18.162 1.00 63.13 H new ATOM 0 HA THR A 16 16.438 -0.889 -20.233 1.00 21.40 H new ATOM 0 HB THR A 16 14.476 1.439 -20.246 1.00 72.43 H new ATOM 0 HG1 THR A 16 13.816 -0.143 -18.781 1.00 62.05 H new ATOM 0 HG21 THR A 16 13.466 0.328 -22.204 1.00 24.25 H new ATOM 0 HG22 THR A 16 15.143 0.831 -22.526 1.00 24.25 H new ATOM 0 HG23 THR A 16 14.775 -0.877 -22.190 1.00 24.25 H new ATOM 262 N ARG A 17 17.030 2.338 -20.733 1.00 43.14 N ATOM 263 CA ARG A 17 17.836 3.276 -21.505 1.00 44.14 C ATOM 264 C ARG A 17 19.324 3.057 -21.246 1.00 31.34 C ATOM 265 O ARG A 17 20.155 3.258 -22.132 1.00 3.34 O ATOM 266 CB ARG A 17 17.454 4.716 -21.158 1.00 40.11 C ATOM 267 CG ARG A 17 16.528 5.363 -22.175 1.00 62.35 C ATOM 268 CD ARG A 17 15.067 5.135 -21.822 1.00 73.15 C ATOM 269 NE ARG A 17 14.189 5.333 -22.973 1.00 34.15 N ATOM 270 CZ ARG A 17 12.878 5.119 -22.942 1.00 20.40 C ATOM 271 NH1 ARG A 17 12.297 4.702 -21.825 1.00 51.14 N ATOM 272 NH2 ARG A 17 12.146 5.321 -24.030 1.00 12.31 N ATOM 0 H ARG A 17 16.433 2.774 -20.030 1.00 43.14 H new ATOM 0 HA ARG A 17 17.639 3.100 -22.562 1.00 44.14 H new ATOM 0 HB2 ARG A 17 16.972 4.729 -20.180 1.00 40.11 H new ATOM 0 HB3 ARG A 17 18.362 5.314 -21.074 1.00 40.11 H new ATOM 0 HG2 ARG A 17 16.729 6.433 -22.223 1.00 62.35 H new ATOM 0 HG3 ARG A 17 16.732 4.956 -23.165 1.00 62.35 H new ATOM 0 HD2 ARG A 17 14.940 4.122 -21.439 1.00 73.15 H new ATOM 0 HD3 ARG A 17 14.776 5.817 -21.023 1.00 73.15 H new ATOM 0 HE ARG A 17 14.605 5.653 -23.848 1.00 34.15 H new ATOM 0 HH11 ARG A 17 12.857 4.545 -20.987 1.00 51.14 H new ATOM 0 HH12 ARG A 17 11.290 4.539 -21.804 1.00 51.14 H new ATOM 0 HH21 ARG A 17 12.590 5.641 -24.891 1.00 12.31 H new ATOM 0 HH22 ARG A 17 11.140 5.156 -24.005 1.00 12.31 H new ATOM 286 N CYS A 18 19.651 2.644 -20.026 1.00 64.33 N ATOM 287 CA CYS A 18 21.039 2.398 -19.649 1.00 51.22 C ATOM 288 C CYS A 18 21.580 1.154 -20.346 1.00 52.02 C ATOM 289 O CYS A 18 22.759 1.089 -20.693 1.00 32.12 O ATOM 290 CB CYS A 18 21.157 2.240 -18.133 1.00 34.24 C ATOM 291 SG CYS A 18 22.714 1.501 -17.586 1.00 50.52 S ATOM 0 H CYS A 18 18.975 2.473 -19.282 1.00 64.33 H new ATOM 0 HA CYS A 18 21.633 3.256 -19.965 1.00 51.22 H new ATOM 0 HB2 CYS A 18 21.049 3.219 -17.667 1.00 34.24 H new ATOM 0 HB3 CYS A 18 20.331 1.625 -17.777 1.00 34.24 H new ATOM 0 HG CYS A 18 23.470 2.420 -17.063 1.00 50.52 H new ATOM 297 N GLN A 19 20.710 0.169 -20.546 1.00 41.14 N ATOM 298 CA GLN A 19 21.102 -1.074 -21.200 1.00 31.12 C ATOM 299 C GLN A 19 21.246 -0.876 -22.705 1.00 70.01 C ATOM 300 O GLN A 19 22.204 -1.351 -23.315 1.00 12.24 O ATOM 301 CB GLN A 19 20.075 -2.171 -20.914 1.00 12.02 C ATOM 302 CG GLN A 19 19.995 -2.563 -19.447 1.00 42.51 C ATOM 303 CD GLN A 19 20.575 -3.937 -19.178 1.00 4.14 C ATOM 304 OE1 GLN A 19 20.522 -4.824 -20.030 1.00 44.21 O ATOM 305 NE2 GLN A 19 21.134 -4.121 -17.987 1.00 41.11 N ATOM 0 H GLN A 19 19.730 0.208 -20.265 1.00 41.14 H new ATOM 0 HA GLN A 19 22.069 -1.377 -20.798 1.00 31.12 H new ATOM 0 HB2 GLN A 19 19.093 -1.833 -21.245 1.00 12.02 H new ATOM 0 HB3 GLN A 19 20.324 -3.053 -21.504 1.00 12.02 H new ATOM 0 HG2 GLN A 19 20.528 -1.824 -18.848 1.00 42.51 H new ATOM 0 HG3 GLN A 19 18.954 -2.543 -19.126 1.00 42.51 H new ATOM 0 HE21 GLN A 19 21.156 -3.358 -17.311 1.00 41.11 H new ATOM 0 HE22 GLN A 19 21.541 -5.025 -17.749 1.00 41.11 H new ATOM 314 N ALA A 20 20.288 -0.172 -23.299 1.00 33.03 N ATOM 315 CA ALA A 20 20.309 0.090 -24.732 1.00 51.24 C ATOM 316 C ALA A 20 21.333 1.166 -25.079 1.00 30.33 C ATOM 317 O ALA A 20 21.908 1.162 -26.168 1.00 1.21 O ATOM 318 CB ALA A 20 18.925 0.501 -25.214 1.00 45.23 C ATOM 0 H ALA A 20 19.487 0.227 -22.809 1.00 33.03 H new ATOM 0 HA ALA A 20 20.601 -0.829 -25.240 1.00 51.24 H new ATOM 0 HB1 ALA A 20 18.956 0.694 -26.286 1.00 45.23 H new ATOM 0 HB2 ALA A 20 18.216 -0.301 -25.009 1.00 45.23 H new ATOM 0 HB3 ALA A 20 18.611 1.405 -24.692 1.00 45.23 H new ATOM 324 N LEU A 21 21.556 2.085 -24.146 1.00 42.45 N ATOM 325 CA LEU A 21 22.511 3.168 -24.353 1.00 43.54 C ATOM 326 C LEU A 21 22.225 3.905 -25.658 1.00 11.20 C ATOM 327 O LEU A 21 23.121 4.496 -26.259 1.00 23.30 O ATOM 328 CB LEU A 21 23.939 2.620 -24.367 1.00 42.00 C ATOM 329 CG LEU A 21 24.426 1.983 -23.065 1.00 31.10 C ATOM 330 CD1 LEU A 21 25.754 1.274 -23.281 1.00 41.43 C ATOM 331 CD2 LEU A 21 24.552 3.034 -21.971 1.00 74.45 C ATOM 0 H LEU A 21 21.089 2.102 -23.239 1.00 42.45 H new ATOM 0 HA LEU A 21 22.407 3.873 -23.528 1.00 43.54 H new ATOM 0 HB2 LEU A 21 24.014 1.878 -25.162 1.00 42.00 H new ATOM 0 HB3 LEU A 21 24.617 3.434 -24.626 1.00 42.00 H new ATOM 0 HG LEU A 21 23.691 1.244 -22.748 1.00 31.10 H new ATOM 0 HD11 LEU A 21 26.085 0.827 -22.343 1.00 41.43 H new ATOM 0 HD12 LEU A 21 25.632 0.493 -24.032 1.00 41.43 H new ATOM 0 HD13 LEU A 21 26.499 1.993 -23.623 1.00 41.43 H new ATOM 0 HD21 LEU A 21 24.900 2.563 -21.052 1.00 74.45 H new ATOM 0 HD22 LEU A 21 25.266 3.797 -22.280 1.00 74.45 H new ATOM 0 HD23 LEU A 21 23.580 3.496 -21.797 1.00 74.45 H new ATOM 343 N GLY A 22 20.968 3.867 -26.089 1.00 53.55 N ATOM 344 CA GLY A 22 20.585 4.537 -27.319 1.00 20.01 C ATOM 345 C GLY A 22 20.074 5.943 -27.078 1.00 55.41 C ATOM 346 O GLY A 22 19.303 6.476 -27.875 1.00 50.25 O ATOM 0 H GLY A 22 20.208 3.385 -25.609 1.00 53.55 H new ATOM 0 HA2 GLY A 22 21.443 4.576 -27.990 1.00 20.01 H new ATOM 0 HA3 GLY A 22 19.813 3.954 -27.821 1.00 20.01 H new ATOM 350 N GLY A 23 20.502 6.547 -25.973 1.00 61.43 N ATOM 351 CA GLY A 23 20.071 7.894 -25.649 1.00 33.45 C ATOM 352 C GLY A 23 21.089 8.942 -26.052 1.00 73.44 C ATOM 353 O GLY A 23 21.004 9.512 -27.140 1.00 3.11 O ATOM 0 H GLY A 23 21.140 6.127 -25.297 1.00 61.43 H new ATOM 0 HA2 GLY A 23 19.125 8.100 -26.150 1.00 33.45 H new ATOM 0 HA3 GLY A 23 19.886 7.965 -24.577 1.00 33.45 H new ATOM 357 N SER A 24 22.053 9.197 -25.174 1.00 51.30 N ATOM 358 CA SER A 24 23.089 10.188 -25.443 1.00 15.14 C ATOM 359 C SER A 24 24.309 9.952 -24.557 1.00 54.34 C ATOM 360 O SER A 24 24.197 9.401 -23.463 1.00 71.11 O ATOM 361 CB SER A 24 22.545 11.600 -25.215 1.00 74.11 C ATOM 362 OG SER A 24 21.167 11.674 -25.539 1.00 30.11 O ATOM 0 H SER A 24 22.139 8.732 -24.270 1.00 51.30 H new ATOM 0 HA SER A 24 23.393 10.087 -26.485 1.00 15.14 H new ATOM 0 HB2 SER A 24 22.693 11.886 -24.174 1.00 74.11 H new ATOM 0 HB3 SER A 24 23.104 12.311 -25.824 1.00 74.11 H new ATOM 0 HG SER A 24 20.843 12.586 -25.384 1.00 30.11 H new ATOM 368 N GLU A 25 25.473 10.374 -25.041 1.00 10.44 N ATOM 369 CA GLU A 25 26.714 10.208 -24.294 1.00 4.41 C ATOM 370 C GLU A 25 26.684 11.017 -23.000 1.00 54.54 C ATOM 371 O GLU A 25 27.316 10.650 -22.011 1.00 3.11 O ATOM 372 CB GLU A 25 27.910 10.636 -25.148 1.00 1.25 C ATOM 373 CG GLU A 25 27.967 12.132 -25.409 1.00 70.25 C ATOM 374 CD GLU A 25 28.891 12.857 -24.451 1.00 12.24 C ATOM 375 OE1 GLU A 25 30.015 12.363 -24.222 1.00 34.40 O ATOM 376 OE2 GLU A 25 28.491 13.919 -23.929 1.00 34.32 O ATOM 0 H GLU A 25 25.582 10.833 -25.946 1.00 10.44 H new ATOM 0 HA GLU A 25 26.816 9.153 -24.040 1.00 4.41 H new ATOM 0 HB2 GLU A 25 28.830 10.327 -24.651 1.00 1.25 H new ATOM 0 HB3 GLU A 25 27.871 10.110 -26.102 1.00 1.25 H new ATOM 0 HG2 GLU A 25 28.301 12.306 -26.432 1.00 70.25 H new ATOM 0 HG3 GLU A 25 26.964 12.550 -25.326 1.00 70.25 H new ATOM 383 N ALA A 26 25.943 12.121 -23.017 1.00 45.22 N ATOM 384 CA ALA A 26 25.828 12.982 -21.846 1.00 65.24 C ATOM 385 C ALA A 26 24.737 12.485 -20.905 1.00 31.32 C ATOM 386 O ALA A 26 24.920 12.455 -19.688 1.00 45.45 O ATOM 387 CB ALA A 26 25.549 14.416 -22.271 1.00 22.10 C ATOM 0 H ALA A 26 25.414 12.440 -23.829 1.00 45.22 H new ATOM 0 HA ALA A 26 26.776 12.952 -21.309 1.00 65.24 H new ATOM 0 HB1 ALA A 26 25.465 15.048 -21.387 1.00 22.10 H new ATOM 0 HB2 ALA A 26 26.365 14.775 -22.898 1.00 22.10 H new ATOM 0 HB3 ALA A 26 24.616 14.454 -22.833 1.00 22.10 H new ATOM 393 N GLU A 27 23.601 12.096 -21.476 1.00 21.32 N ATOM 394 CA GLU A 27 22.480 11.601 -20.685 1.00 52.44 C ATOM 395 C GLU A 27 22.937 10.523 -19.707 1.00 50.12 C ATOM 396 O GLU A 27 22.440 10.439 -18.583 1.00 61.44 O ATOM 397 CB GLU A 27 21.388 11.045 -21.601 1.00 73.22 C ATOM 398 CG GLU A 27 21.138 9.558 -21.416 1.00 73.50 C ATOM 399 CD GLU A 27 20.053 9.029 -22.335 1.00 44.31 C ATOM 400 OE1 GLU A 27 19.547 9.813 -23.166 1.00 24.40 O ATOM 401 OE2 GLU A 27 19.711 7.834 -22.224 1.00 31.22 O ATOM 0 H GLU A 27 23.433 12.114 -22.482 1.00 21.32 H new ATOM 0 HA GLU A 27 22.075 12.436 -20.114 1.00 52.44 H new ATOM 0 HB2 GLU A 27 20.460 11.587 -21.417 1.00 73.22 H new ATOM 0 HB3 GLU A 27 21.666 11.232 -22.638 1.00 73.22 H new ATOM 0 HG2 GLU A 27 22.063 9.012 -21.601 1.00 73.50 H new ATOM 0 HG3 GLU A 27 20.857 9.367 -20.380 1.00 73.50 H new ATOM 408 N CYS A 28 23.885 9.701 -20.143 1.00 4.52 N ATOM 409 CA CYS A 28 24.409 8.627 -19.307 1.00 4.11 C ATOM 410 C CYS A 28 24.809 9.153 -17.932 1.00 43.44 C ATOM 411 O CYS A 28 24.501 8.543 -16.909 1.00 63.13 O ATOM 412 CB CYS A 28 25.612 7.967 -19.983 1.00 73.22 C ATOM 413 SG CYS A 28 25.233 7.199 -21.576 1.00 43.51 S ATOM 0 H CYS A 28 24.306 9.758 -21.070 1.00 4.52 H new ATOM 0 HA CYS A 28 23.621 7.885 -19.177 1.00 4.11 H new ATOM 0 HB2 CYS A 28 26.390 8.717 -20.129 1.00 73.22 H new ATOM 0 HB3 CYS A 28 26.021 7.209 -19.314 1.00 73.22 H new ATOM 0 HG CYS A 28 24.810 8.106 -22.405 1.00 43.51 H new ATOM 419 N ALA A 29 25.499 10.290 -17.917 1.00 74.52 N ATOM 420 CA ALA A 29 25.941 10.898 -16.669 1.00 14.23 C ATOM 421 C ALA A 29 24.770 11.100 -15.712 1.00 4.20 C ATOM 422 O ALA A 29 24.808 10.652 -14.567 1.00 24.14 O ATOM 423 CB ALA A 29 26.634 12.224 -16.944 1.00 43.04 C ATOM 0 H ALA A 29 25.763 10.808 -18.755 1.00 74.52 H new ATOM 0 HA ALA A 29 26.652 10.221 -16.195 1.00 14.23 H new ATOM 0 HB1 ALA A 29 26.959 12.667 -16.003 1.00 43.04 H new ATOM 0 HB2 ALA A 29 27.500 12.056 -17.584 1.00 43.04 H new ATOM 0 HB3 ALA A 29 25.940 12.901 -17.443 1.00 43.04 H new ATOM 429 N ALA A 30 23.732 11.778 -16.190 1.00 10.45 N ATOM 430 CA ALA A 30 22.550 12.038 -15.377 1.00 3.43 C ATOM 431 C ALA A 30 21.937 10.738 -14.868 1.00 1.22 C ATOM 432 O ALA A 30 21.384 10.689 -13.769 1.00 11.40 O ATOM 433 CB ALA A 30 21.525 12.831 -16.174 1.00 42.10 C ATOM 0 H ALA A 30 23.685 12.157 -17.136 1.00 10.45 H new ATOM 0 HA ALA A 30 22.856 12.627 -14.513 1.00 3.43 H new ATOM 0 HB1 ALA A 30 20.648 13.018 -15.555 1.00 42.10 H new ATOM 0 HB2 ALA A 30 21.960 13.781 -16.483 1.00 42.10 H new ATOM 0 HB3 ALA A 30 21.231 12.263 -17.057 1.00 42.10 H new ATOM 439 N PHE A 31 22.038 9.687 -15.674 1.00 21.41 N ATOM 440 CA PHE A 31 21.492 8.386 -15.306 1.00 34.35 C ATOM 441 C PHE A 31 22.202 7.826 -14.077 1.00 33.44 C ATOM 442 O PHE A 31 21.560 7.410 -13.113 1.00 21.15 O ATOM 443 CB PHE A 31 21.620 7.406 -16.474 1.00 32.35 C ATOM 444 CG PHE A 31 20.337 7.200 -17.227 1.00 50.12 C ATOM 445 CD1 PHE A 31 19.440 8.243 -17.391 1.00 54.00 C ATOM 446 CD2 PHE A 31 20.029 5.964 -17.772 1.00 53.12 C ATOM 447 CE1 PHE A 31 18.258 8.056 -18.083 1.00 41.14 C ATOM 448 CE2 PHE A 31 18.849 5.771 -18.466 1.00 12.30 C ATOM 449 CZ PHE A 31 17.963 6.819 -18.623 1.00 11.25 C ATOM 0 H PHE A 31 22.493 9.711 -16.587 1.00 21.41 H new ATOM 0 HA PHE A 31 20.437 8.518 -15.066 1.00 34.35 H new ATOM 0 HB2 PHE A 31 22.382 7.772 -17.163 1.00 32.35 H new ATOM 0 HB3 PHE A 31 21.968 6.445 -16.095 1.00 32.35 H new ATOM 0 HD1 PHE A 31 19.667 9.213 -16.974 1.00 54.00 H new ATOM 0 HD2 PHE A 31 20.719 5.142 -17.653 1.00 53.12 H new ATOM 0 HE1 PHE A 31 17.566 8.876 -18.201 1.00 41.14 H new ATOM 0 HE2 PHE A 31 18.620 4.802 -18.885 1.00 12.30 H new ATOM 0 HZ PHE A 31 17.042 6.672 -19.167 1.00 11.25 H new ATOM 459 N GLU A 32 23.530 7.818 -14.120 1.00 44.24 N ATOM 460 CA GLU A 32 24.328 7.308 -13.011 1.00 73.12 C ATOM 461 C GLU A 32 24.048 8.094 -11.733 1.00 61.24 C ATOM 462 O GLU A 32 23.868 7.515 -10.662 1.00 14.33 O ATOM 463 CB GLU A 32 25.818 7.378 -13.351 1.00 1.34 C ATOM 464 CG GLU A 32 26.678 6.451 -12.509 1.00 5.24 C ATOM 465 CD GLU A 32 28.115 6.924 -12.404 1.00 4.14 C ATOM 466 OE1 GLU A 32 28.757 7.112 -13.458 1.00 24.11 O ATOM 467 OE2 GLU A 32 28.598 7.106 -11.266 1.00 14.40 O ATOM 0 H GLU A 32 24.076 8.159 -14.911 1.00 44.24 H new ATOM 0 HA GLU A 32 24.050 6.267 -12.845 1.00 73.12 H new ATOM 0 HB2 GLU A 32 25.954 7.130 -14.404 1.00 1.34 H new ATOM 0 HB3 GLU A 32 26.165 8.403 -13.218 1.00 1.34 H new ATOM 0 HG2 GLU A 32 26.251 6.374 -11.509 1.00 5.24 H new ATOM 0 HG3 GLU A 32 26.659 5.451 -12.942 1.00 5.24 H new ATOM 474 N LYS A 33 24.014 9.416 -11.855 1.00 4.52 N ATOM 475 CA LYS A 33 23.756 10.284 -10.712 1.00 25.04 C ATOM 476 C LYS A 33 22.388 9.991 -10.104 1.00 25.21 C ATOM 477 O LYS A 33 22.269 9.775 -8.898 1.00 71.25 O ATOM 478 CB LYS A 33 23.835 11.753 -11.132 1.00 42.32 C ATOM 479 CG LYS A 33 25.232 12.341 -11.029 1.00 51.42 C ATOM 480 CD LYS A 33 25.486 13.369 -12.119 1.00 60.14 C ATOM 481 CE LYS A 33 26.941 13.813 -12.138 1.00 54.15 C ATOM 482 NZ LYS A 33 27.114 15.168 -11.546 1.00 45.44 N ATOM 0 H LYS A 33 24.162 9.911 -12.735 1.00 4.52 H new ATOM 0 HA LYS A 33 24.519 10.087 -9.959 1.00 25.04 H new ATOM 0 HB2 LYS A 33 23.485 11.848 -12.160 1.00 42.32 H new ATOM 0 HB3 LYS A 33 23.157 12.337 -10.509 1.00 42.32 H new ATOM 0 HG2 LYS A 33 25.361 12.806 -10.052 1.00 51.42 H new ATOM 0 HG3 LYS A 33 25.970 11.542 -11.102 1.00 51.42 H new ATOM 0 HD2 LYS A 33 25.221 12.946 -13.088 1.00 60.14 H new ATOM 0 HD3 LYS A 33 24.842 14.234 -11.962 1.00 60.14 H new ATOM 0 HE2 LYS A 33 27.547 13.095 -11.586 1.00 54.15 H new ATOM 0 HE3 LYS A 33 27.307 13.816 -13.165 1.00 54.15 H new ATOM 0 HZ1 LYS A 33 28.119 15.435 -11.577 1.00 45.44 H new ATOM 0 HZ2 LYS A 33 26.556 15.858 -12.088 1.00 45.44 H new ATOM 0 HZ3 LYS A 33 26.789 15.159 -10.558 1.00 45.44 H new ATOM 496 N GLU A 34 21.361 9.984 -10.947 1.00 35.12 N ATOM 497 CA GLU A 34 20.002 9.716 -10.491 1.00 15.30 C ATOM 498 C GLU A 34 19.939 8.410 -9.704 1.00 10.52 C ATOM 499 O GLU A 34 19.366 8.357 -8.615 1.00 72.33 O ATOM 500 CB GLU A 34 19.043 9.653 -11.682 1.00 65.33 C ATOM 501 CG GLU A 34 17.892 10.640 -11.591 1.00 45.41 C ATOM 502 CD GLU A 34 16.884 10.264 -10.523 1.00 73.35 C ATOM 503 OE1 GLU A 34 17.097 9.241 -9.839 1.00 50.32 O ATOM 504 OE2 GLU A 34 15.881 10.992 -10.372 1.00 53.54 O ATOM 0 H GLU A 34 21.444 10.161 -11.948 1.00 35.12 H new ATOM 0 HA GLU A 34 19.700 10.531 -9.833 1.00 15.30 H new ATOM 0 HB2 GLU A 34 19.602 9.844 -12.598 1.00 65.33 H new ATOM 0 HB3 GLU A 34 18.639 8.643 -11.759 1.00 65.33 H new ATOM 0 HG2 GLU A 34 18.286 11.634 -11.379 1.00 45.41 H new ATOM 0 HG3 GLU A 34 17.389 10.696 -12.556 1.00 45.41 H new ATOM 511 N ILE A 35 20.532 7.361 -10.263 1.00 32.25 N ATOM 512 CA ILE A 35 20.544 6.056 -9.613 1.00 60.23 C ATOM 513 C ILE A 35 21.227 6.126 -8.252 1.00 23.52 C ATOM 514 O ILE A 35 20.735 5.571 -7.270 1.00 12.12 O ATOM 515 CB ILE A 35 21.258 5.002 -10.480 1.00 44.33 C ATOM 516 CG1 ILE A 35 20.461 4.736 -11.758 1.00 75.33 C ATOM 517 CG2 ILE A 35 21.456 3.715 -9.694 1.00 73.22 C ATOM 518 CD1 ILE A 35 19.085 4.159 -11.503 1.00 4.40 C ATOM 0 H ILE A 35 21.010 7.389 -11.164 1.00 32.25 H new ATOM 0 HA ILE A 35 19.503 5.760 -9.480 1.00 60.23 H new ATOM 0 HB ILE A 35 22.238 5.387 -10.760 1.00 44.33 H new ATOM 0 HG12 ILE A 35 20.358 5.668 -12.313 1.00 75.33 H new ATOM 0 HG13 ILE A 35 21.023 4.049 -12.391 1.00 75.33 H new ATOM 0 HG21 ILE A 35 21.962 2.980 -10.320 1.00 73.22 H new ATOM 0 HG22 ILE A 35 22.062 3.918 -8.811 1.00 73.22 H new ATOM 0 HG23 ILE A 35 20.486 3.324 -9.387 1.00 73.22 H new ATOM 0 HD11 ILE A 35 18.577 3.996 -12.453 1.00 4.40 H new ATOM 0 HD12 ILE A 35 19.180 3.210 -10.975 1.00 4.40 H new ATOM 0 HD13 ILE A 35 18.505 4.855 -10.896 1.00 4.40 H new ATOM 530 N ALA A 36 22.364 6.812 -8.201 1.00 0.21 N ATOM 531 CA ALA A 36 23.113 6.958 -6.959 1.00 43.22 C ATOM 532 C ALA A 36 22.242 7.556 -5.859 1.00 63.14 C ATOM 533 O ALA A 36 22.204 7.047 -4.740 1.00 1.24 O ATOM 534 CB ALA A 36 24.347 7.820 -7.185 1.00 73.12 C ATOM 0 H ALA A 36 22.787 7.275 -9.005 1.00 0.21 H new ATOM 0 HA ALA A 36 23.430 5.966 -6.636 1.00 43.22 H new ATOM 0 HB1 ALA A 36 24.897 7.921 -6.249 1.00 73.12 H new ATOM 0 HB2 ALA A 36 24.986 7.351 -7.933 1.00 73.12 H new ATOM 0 HB3 ALA A 36 24.043 8.806 -7.535 1.00 73.12 H new ATOM 540 N ALA A 37 21.545 8.639 -6.186 1.00 73.25 N ATOM 541 CA ALA A 37 20.673 9.305 -5.226 1.00 62.25 C ATOM 542 C ALA A 37 19.471 8.433 -4.880 1.00 10.23 C ATOM 543 O ALA A 37 18.944 8.498 -3.769 1.00 2.32 O ATOM 544 CB ALA A 37 20.213 10.648 -5.774 1.00 64.22 C ATOM 0 H ALA A 37 21.567 9.074 -7.108 1.00 73.25 H new ATOM 0 HA ALA A 37 21.242 9.474 -4.312 1.00 62.25 H new ATOM 0 HB1 ALA A 37 19.563 11.134 -5.047 1.00 64.22 H new ATOM 0 HB2 ALA A 37 21.081 11.280 -5.964 1.00 64.22 H new ATOM 0 HB3 ALA A 37 19.666 10.493 -6.704 1.00 64.22 H new ATOM 550 N PHE A 38 19.041 7.618 -5.837 1.00 51.32 N ATOM 551 CA PHE A 38 17.899 6.734 -5.633 1.00 41.53 C ATOM 552 C PHE A 38 18.190 5.715 -4.536 1.00 15.13 C ATOM 553 O PHE A 38 17.433 5.593 -3.573 1.00 22.51 O ATOM 554 CB PHE A 38 17.547 6.012 -6.935 1.00 41.35 C ATOM 555 CG PHE A 38 16.175 6.341 -7.451 1.00 60.40 C ATOM 556 CD1 PHE A 38 15.746 7.656 -7.528 1.00 33.24 C ATOM 557 CD2 PHE A 38 15.315 5.334 -7.859 1.00 51.15 C ATOM 558 CE1 PHE A 38 14.483 7.960 -8.001 1.00 4.31 C ATOM 559 CE2 PHE A 38 14.051 5.633 -8.334 1.00 65.31 C ATOM 560 CZ PHE A 38 13.636 6.948 -8.406 1.00 33.33 C ATOM 0 H PHE A 38 19.466 7.551 -6.762 1.00 51.32 H new ATOM 0 HA PHE A 38 17.050 7.343 -5.323 1.00 41.53 H new ATOM 0 HB2 PHE A 38 18.284 6.271 -7.695 1.00 41.35 H new ATOM 0 HB3 PHE A 38 17.618 4.936 -6.775 1.00 41.35 H new ATOM 0 HD1 PHE A 38 16.405 8.452 -7.215 1.00 33.24 H new ATOM 0 HD2 PHE A 38 15.635 4.304 -7.805 1.00 51.15 H new ATOM 0 HE1 PHE A 38 14.159 8.989 -8.054 1.00 4.31 H new ATOM 0 HE2 PHE A 38 13.390 4.839 -8.648 1.00 65.31 H new ATOM 0 HZ PHE A 38 12.650 7.184 -8.779 1.00 33.33 H new ATOM 570 N GLU A 39 19.290 4.986 -4.690 1.00 24.03 N ATOM 571 CA GLU A 39 19.680 3.976 -3.713 1.00 0.25 C ATOM 572 C GLU A 39 20.052 4.622 -2.381 1.00 42.42 C ATOM 573 O GLU A 39 19.749 4.089 -1.314 1.00 13.41 O ATOM 574 CB GLU A 39 20.857 3.153 -4.239 1.00 23.41 C ATOM 575 CG GLU A 39 22.114 3.972 -4.478 1.00 64.25 C ATOM 576 CD GLU A 39 23.241 3.150 -5.074 1.00 41.55 C ATOM 577 OE1 GLU A 39 23.245 2.954 -6.307 1.00 74.55 O ATOM 578 OE2 GLU A 39 24.120 2.705 -4.307 1.00 32.11 O ATOM 0 H GLU A 39 19.927 5.076 -5.482 1.00 24.03 H new ATOM 0 HA GLU A 39 18.828 3.316 -3.552 1.00 0.25 H new ATOM 0 HB2 GLU A 39 21.081 2.359 -3.527 1.00 23.41 H new ATOM 0 HB3 GLU A 39 20.564 2.671 -5.172 1.00 23.41 H new ATOM 0 HG2 GLU A 39 21.881 4.801 -5.146 1.00 64.25 H new ATOM 0 HG3 GLU A 39 22.445 4.406 -3.535 1.00 64.25 H new ATOM 585 N SER A 40 20.712 5.774 -2.453 1.00 61.01 N ATOM 586 CA SER A 40 21.130 6.492 -1.254 1.00 61.44 C ATOM 587 C SER A 40 19.925 7.074 -0.522 1.00 21.21 C ATOM 588 O SER A 40 19.951 7.247 0.696 1.00 13.11 O ATOM 589 CB SER A 40 22.109 7.610 -1.619 1.00 73.40 C ATOM 590 OG SER A 40 22.352 8.456 -0.509 1.00 5.01 O ATOM 0 H SER A 40 20.969 6.230 -3.329 1.00 61.01 H new ATOM 0 HA SER A 40 21.628 5.784 -0.591 1.00 61.44 H new ATOM 0 HB2 SER A 40 23.048 7.177 -1.963 1.00 73.40 H new ATOM 0 HB3 SER A 40 21.706 8.195 -2.445 1.00 73.40 H new ATOM 0 HG SER A 40 22.982 9.161 -0.767 1.00 5.01 H new ATOM 596 N GLU A 41 18.871 7.373 -1.274 1.00 50.44 N ATOM 597 CA GLU A 41 17.656 7.937 -0.697 1.00 4.01 C ATOM 598 C GLU A 41 16.793 6.845 -0.072 1.00 24.40 C ATOM 599 O GLU A 41 16.163 7.053 0.965 1.00 14.22 O ATOM 600 CB GLU A 41 16.857 8.685 -1.766 1.00 13.25 C ATOM 601 CG GLU A 41 17.325 10.114 -1.987 1.00 73.42 C ATOM 602 CD GLU A 41 16.568 11.114 -1.136 1.00 55.41 C ATOM 603 OE1 GLU A 41 15.405 11.420 -1.474 1.00 51.44 O ATOM 604 OE2 GLU A 41 17.137 11.592 -0.133 1.00 20.44 O ATOM 0 H GLU A 41 18.834 7.234 -2.284 1.00 50.44 H new ATOM 0 HA GLU A 41 17.947 8.638 0.085 1.00 4.01 H new ATOM 0 HB2 GLU A 41 16.926 8.139 -2.707 1.00 13.25 H new ATOM 0 HB3 GLU A 41 15.805 8.696 -1.480 1.00 13.25 H new ATOM 0 HG2 GLU A 41 18.389 10.183 -1.761 1.00 73.42 H new ATOM 0 HG3 GLU A 41 17.205 10.373 -3.039 1.00 73.42 H new ATOM 611 N LEU A 42 16.770 5.680 -0.710 1.00 61.13 N ATOM 612 CA LEU A 42 15.984 4.553 -0.218 1.00 44.44 C ATOM 613 C LEU A 42 16.669 3.891 0.973 1.00 70.12 C ATOM 614 O LEU A 42 16.007 3.370 1.870 1.00 73.23 O ATOM 615 CB LEU A 42 15.772 3.528 -1.334 1.00 2.50 C ATOM 616 CG LEU A 42 14.883 3.975 -2.495 1.00 70.31 C ATOM 617 CD1 LEU A 42 15.301 3.284 -3.784 1.00 5.31 C ATOM 618 CD2 LEU A 42 13.420 3.691 -2.186 1.00 62.35 C ATOM 0 H LEU A 42 17.286 5.491 -1.569 1.00 61.13 H new ATOM 0 HA LEU A 42 15.015 4.932 0.108 1.00 44.44 H new ATOM 0 HB2 LEU A 42 16.747 3.250 -1.735 1.00 2.50 H new ATOM 0 HB3 LEU A 42 15.339 2.628 -0.896 1.00 2.50 H new ATOM 0 HG LEU A 42 15.004 5.050 -2.627 1.00 70.31 H new ATOM 0 HD11 LEU A 42 14.657 3.614 -4.599 1.00 5.31 H new ATOM 0 HD12 LEU A 42 16.336 3.537 -4.014 1.00 5.31 H new ATOM 0 HD13 LEU A 42 15.210 2.204 -3.664 1.00 5.31 H new ATOM 0 HD21 LEU A 42 12.802 4.015 -3.023 1.00 62.35 H new ATOM 0 HD22 LEU A 42 13.283 2.621 -2.027 1.00 62.35 H new ATOM 0 HD23 LEU A 42 13.126 4.232 -1.287 1.00 62.35 H new ATOM 630 N GLN A 43 17.998 3.917 0.975 1.00 12.30 N ATOM 631 CA GLN A 43 18.771 3.320 2.057 1.00 5.43 C ATOM 632 C GLN A 43 18.758 4.214 3.293 1.00 44.20 C ATOM 633 O GLN A 43 19.002 3.753 4.407 1.00 22.44 O ATOM 634 CB GLN A 43 20.212 3.074 1.607 1.00 63.12 C ATOM 635 CG GLN A 43 21.076 4.325 1.619 1.00 21.22 C ATOM 636 CD GLN A 43 21.965 4.408 2.844 1.00 10.13 C ATOM 637 OE1 GLN A 43 21.884 5.361 3.620 1.00 24.34 O ATOM 638 NE2 GLN A 43 22.820 3.408 3.025 1.00 52.10 N ATOM 0 H GLN A 43 18.561 4.345 0.240 1.00 12.30 H new ATOM 0 HA GLN A 43 18.310 2.367 2.315 1.00 5.43 H new ATOM 0 HB2 GLN A 43 20.664 2.325 2.257 1.00 63.12 H new ATOM 0 HB3 GLN A 43 20.203 2.658 0.599 1.00 63.12 H new ATOM 0 HG2 GLN A 43 21.696 4.342 0.723 1.00 21.22 H new ATOM 0 HG3 GLN A 43 20.435 5.205 1.580 1.00 21.22 H new ATOM 0 HE21 GLN A 43 22.853 2.638 2.357 1.00 52.10 H new ATOM 0 HE22 GLN A 43 23.443 3.410 3.832 1.00 52.10 H new ATOM 647 N ALA A 44 18.473 5.496 3.087 1.00 34.33 N ATOM 648 CA ALA A 44 18.426 6.454 4.185 1.00 62.31 C ATOM 649 C ALA A 44 17.145 6.297 4.997 1.00 70.22 C ATOM 650 O ALA A 44 17.113 6.601 6.189 1.00 1.24 O ATOM 651 CB ALA A 44 18.545 7.874 3.651 1.00 33.33 C ATOM 0 H ALA A 44 18.271 5.895 2.170 1.00 34.33 H new ATOM 0 HA ALA A 44 19.270 6.254 4.846 1.00 62.31 H new ATOM 0 HB1 ALA A 44 18.508 8.579 4.481 1.00 33.33 H new ATOM 0 HB2 ALA A 44 19.491 7.986 3.122 1.00 33.33 H new ATOM 0 HB3 ALA A 44 17.721 8.076 2.967 1.00 33.33 H new ATOM 657 N TYR A 45 16.091 5.821 4.343 1.00 11.04 N ATOM 658 CA TYR A 45 14.806 5.627 5.004 1.00 32.24 C ATOM 659 C TYR A 45 14.968 4.809 6.282 1.00 63.11 C ATOM 660 O TYR A 45 14.642 5.271 7.376 1.00 44.25 O ATOM 661 CB TYR A 45 13.824 4.930 4.061 1.00 15.31 C ATOM 662 CG TYR A 45 13.161 5.868 3.077 1.00 64.44 C ATOM 663 CD1 TYR A 45 12.598 7.065 3.499 1.00 50.44 C ATOM 664 CD2 TYR A 45 13.100 5.555 1.724 1.00 41.50 C ATOM 665 CE1 TYR A 45 11.991 7.924 2.603 1.00 44.24 C ATOM 666 CE2 TYR A 45 12.497 6.409 0.821 1.00 73.04 C ATOM 667 CZ TYR A 45 11.943 7.592 1.265 1.00 65.22 C ATOM 668 OH TYR A 45 11.341 8.445 0.369 1.00 43.21 O ATOM 0 H TYR A 45 16.101 5.563 3.356 1.00 11.04 H new ATOM 0 HA TYR A 45 14.411 6.608 5.269 1.00 32.24 H new ATOM 0 HB2 TYR A 45 14.352 4.152 3.510 1.00 15.31 H new ATOM 0 HB3 TYR A 45 13.054 4.434 4.653 1.00 15.31 H new ATOM 0 HD1 TYR A 45 12.635 7.329 4.546 1.00 50.44 H new ATOM 0 HD2 TYR A 45 13.531 4.629 1.373 1.00 41.50 H new ATOM 0 HE1 TYR A 45 11.556 8.850 2.948 1.00 44.24 H new ATOM 0 HE2 TYR A 45 12.459 6.152 -0.227 1.00 73.04 H new ATOM 0 HH TYR A 45 11.394 8.063 -0.532 1.00 43.21 H new ATOM 678 N LYS A 46 15.476 3.590 6.135 1.00 34.43 N ATOM 679 CA LYS A 46 15.685 2.705 7.276 1.00 54.24 C ATOM 680 C LYS A 46 14.371 2.436 8.003 1.00 24.22 C ATOM 681 O LYS A 46 13.990 3.175 8.910 1.00 53.05 O ATOM 682 CB LYS A 46 16.700 3.318 8.243 1.00 33.01 C ATOM 683 CG LYS A 46 17.022 2.428 9.431 1.00 35.01 C ATOM 684 CD LYS A 46 17.554 3.234 10.604 1.00 53.31 C ATOM 685 CE LYS A 46 19.074 3.273 10.609 1.00 2.24 C ATOM 686 NZ LYS A 46 19.662 1.930 10.867 1.00 65.41 N ATOM 0 H LYS A 46 15.751 3.192 5.237 1.00 34.43 H new ATOM 0 HA LYS A 46 16.074 1.757 6.904 1.00 54.24 H new ATOM 0 HB2 LYS A 46 17.621 3.534 7.701 1.00 33.01 H new ATOM 0 HB3 LYS A 46 16.314 4.270 8.607 1.00 33.01 H new ATOM 0 HG2 LYS A 46 16.125 1.888 9.736 1.00 35.01 H new ATOM 0 HG3 LYS A 46 17.759 1.681 9.138 1.00 35.01 H new ATOM 0 HD2 LYS A 46 17.163 4.250 10.556 1.00 53.31 H new ATOM 0 HD3 LYS A 46 17.197 2.799 11.538 1.00 53.31 H new ATOM 0 HE2 LYS A 46 19.431 3.648 9.650 1.00 2.24 H new ATOM 0 HE3 LYS A 46 19.417 3.972 11.372 1.00 2.24 H new ATOM 0 HZ1 LYS A 46 20.612 2.040 11.276 1.00 65.41 H new ATOM 0 HZ2 LYS A 46 19.057 1.408 11.533 1.00 65.41 H new ATOM 0 HZ3 LYS A 46 19.729 1.403 9.973 1.00 65.41 H new ATOM 700 N GLY A 47 13.684 1.371 7.601 1.00 63.04 N ATOM 701 CA GLY A 47 12.422 1.023 8.226 1.00 20.42 C ATOM 702 C GLY A 47 12.393 -0.413 8.713 1.00 53.25 C ATOM 703 O GLY A 47 11.682 -1.251 8.156 1.00 3.44 O ATOM 0 H GLY A 47 13.979 0.743 6.853 1.00 63.04 H new ATOM 0 HA2 GLY A 47 12.240 1.692 9.067 1.00 20.42 H new ATOM 0 HA3 GLY A 47 11.612 1.178 7.513 1.00 20.42 H new ATOM 707 N LYS A 48 13.168 -0.699 9.753 1.00 33.21 N ATOM 708 CA LYS A 48 13.229 -2.043 10.315 1.00 20.21 C ATOM 709 C LYS A 48 13.760 -3.038 9.289 1.00 62.55 C ATOM 710 O LYS A 48 13.051 -3.953 8.872 1.00 71.23 O ATOM 711 CB LYS A 48 11.844 -2.481 10.796 1.00 13.21 C ATOM 712 CG LYS A 48 11.111 -1.414 11.591 1.00 53.13 C ATOM 713 CD LYS A 48 10.607 -1.955 12.918 1.00 3.34 C ATOM 714 CE LYS A 48 10.589 -0.875 13.989 1.00 2.33 C ATOM 715 NZ LYS A 48 9.216 -0.635 14.512 1.00 14.11 N ATOM 0 H LYS A 48 13.763 -0.018 10.224 1.00 33.21 H new ATOM 0 HA LYS A 48 13.912 -2.024 11.164 1.00 20.21 H new ATOM 0 HB2 LYS A 48 11.240 -2.758 9.932 1.00 13.21 H new ATOM 0 HB3 LYS A 48 11.948 -3.374 11.412 1.00 13.21 H new ATOM 0 HG2 LYS A 48 11.778 -0.571 11.771 1.00 53.13 H new ATOM 0 HG3 LYS A 48 10.271 -1.038 11.008 1.00 53.13 H new ATOM 0 HD2 LYS A 48 9.603 -2.359 12.790 1.00 3.34 H new ATOM 0 HD3 LYS A 48 11.243 -2.779 13.241 1.00 3.34 H new ATOM 0 HE2 LYS A 48 11.244 -1.167 14.810 1.00 2.33 H new ATOM 0 HE3 LYS A 48 10.988 0.052 13.577 1.00 2.33 H new ATOM 0 HZ1 LYS A 48 9.247 0.108 15.239 1.00 14.11 H new ATOM 0 HZ2 LYS A 48 8.596 -0.332 13.734 1.00 14.11 H new ATOM 0 HZ3 LYS A 48 8.845 -1.513 14.929 1.00 14.11 H new ATOM 729 N GLY A 49 15.014 -2.854 8.886 1.00 70.33 N ATOM 730 CA GLY A 49 15.619 -3.745 7.912 1.00 13.24 C ATOM 731 C GLY A 49 15.440 -3.255 6.489 1.00 4.10 C ATOM 732 O GLY A 49 16.162 -3.676 5.586 1.00 40.41 O ATOM 0 H GLY A 49 15.622 -2.104 9.216 1.00 70.33 H new ATOM 0 HA2 GLY A 49 16.683 -3.845 8.127 1.00 13.24 H new ATOM 0 HA3 GLY A 49 15.179 -4.737 8.009 1.00 13.24 H new ATOM 736 N ASN A 50 14.475 -2.364 6.288 1.00 11.11 N ATOM 737 CA ASN A 50 14.202 -1.818 4.963 1.00 3.15 C ATOM 738 C ASN A 50 14.316 -2.901 3.895 1.00 55.12 C ATOM 739 O ASN A 50 15.248 -2.920 3.092 1.00 65.33 O ATOM 740 CB ASN A 50 15.170 -0.675 4.651 1.00 11.42 C ATOM 741 CG ASN A 50 16.609 -1.031 4.973 1.00 54.44 C ATOM 742 OD1 ASN A 50 17.030 -0.975 6.128 1.00 44.51 O ATOM 743 ND2 ASN A 50 17.370 -1.399 3.949 1.00 74.23 N ATOM 0 H ASN A 50 13.869 -2.004 7.025 1.00 11.11 H new ATOM 0 HA ASN A 50 13.182 -1.434 4.958 1.00 3.15 H new ATOM 0 HB2 ASN A 50 15.091 -0.413 3.596 1.00 11.42 H new ATOM 0 HB3 ASN A 50 14.881 0.208 5.221 1.00 11.42 H new ATOM 0 HD21 ASN A 50 18.347 -1.650 4.104 1.00 74.23 H new ATOM 0 HD22 ASN A 50 16.978 -1.431 3.008 1.00 74.23 H new ATOM 750 N PRO A 51 13.343 -3.824 3.883 1.00 31.51 N ATOM 751 CA PRO A 51 13.310 -4.927 2.918 1.00 70.23 C ATOM 752 C PRO A 51 13.008 -4.449 1.502 1.00 72.13 C ATOM 753 O PRO A 51 13.612 -4.917 0.537 1.00 33.42 O ATOM 754 CB PRO A 51 12.177 -5.818 3.435 1.00 42.53 C ATOM 755 CG PRO A 51 11.293 -4.897 4.204 1.00 62.43 C ATOM 756 CD PRO A 51 12.200 -3.863 4.811 1.00 61.01 C ATOM 0 HA PRO A 51 14.272 -5.435 2.847 1.00 70.23 H new ATOM 0 HB2 PRO A 51 11.638 -6.290 2.614 1.00 42.53 H new ATOM 0 HB3 PRO A 51 12.560 -6.619 4.067 1.00 42.53 H new ATOM 0 HG2 PRO A 51 10.553 -4.433 3.553 1.00 62.43 H new ATOM 0 HG3 PRO A 51 10.745 -5.437 4.976 1.00 62.43 H new ATOM 0 HD2 PRO A 51 11.710 -2.892 4.885 1.00 61.01 H new ATOM 0 HD3 PRO A 51 12.510 -4.142 5.818 1.00 61.01 H new ATOM 764 N GLU A 52 12.070 -3.514 1.385 1.00 70.20 N ATOM 765 CA GLU A 52 11.688 -2.974 0.085 1.00 5.25 C ATOM 766 C GLU A 52 12.874 -2.289 -0.588 1.00 41.03 C ATOM 767 O GLU A 52 13.028 -2.348 -1.808 1.00 42.43 O ATOM 768 CB GLU A 52 10.533 -1.983 0.240 1.00 41.43 C ATOM 769 CG GLU A 52 10.763 -0.943 1.324 1.00 65.21 C ATOM 770 CD GLU A 52 9.741 0.176 1.286 1.00 33.43 C ATOM 771 OE1 GLU A 52 9.466 0.692 0.183 1.00 34.12 O ATOM 772 OE2 GLU A 52 9.215 0.534 2.361 1.00 41.40 O ATOM 0 H GLU A 52 11.561 -3.115 2.174 1.00 70.20 H new ATOM 0 HA GLU A 52 11.364 -3.803 -0.544 1.00 5.25 H new ATOM 0 HB2 GLU A 52 10.372 -1.475 -0.711 1.00 41.43 H new ATOM 0 HB3 GLU A 52 9.620 -2.535 0.465 1.00 41.43 H new ATOM 0 HG2 GLU A 52 10.729 -1.427 2.300 1.00 65.21 H new ATOM 0 HG3 GLU A 52 11.762 -0.521 1.212 1.00 65.21 H new ATOM 779 N VAL A 53 13.710 -1.639 0.216 1.00 53.14 N ATOM 780 CA VAL A 53 14.882 -0.943 -0.301 1.00 51.13 C ATOM 781 C VAL A 53 15.901 -1.927 -0.864 1.00 43.23 C ATOM 782 O VAL A 53 16.755 -1.558 -1.670 1.00 0.52 O ATOM 783 CB VAL A 53 15.556 -0.091 0.791 1.00 53.03 C ATOM 784 CG1 VAL A 53 16.774 0.628 0.231 1.00 11.14 C ATOM 785 CG2 VAL A 53 14.564 0.901 1.379 1.00 2.32 C ATOM 0 H VAL A 53 13.597 -1.580 1.228 1.00 53.14 H new ATOM 0 HA VAL A 53 14.534 -0.288 -1.100 1.00 51.13 H new ATOM 0 HB VAL A 53 15.890 -0.753 1.590 1.00 53.03 H new ATOM 0 HG11 VAL A 53 17.237 1.225 1.017 1.00 11.14 H new ATOM 0 HG12 VAL A 53 17.491 -0.105 -0.138 1.00 11.14 H new ATOM 0 HG13 VAL A 53 16.467 1.280 -0.587 1.00 11.14 H new ATOM 0 HG21 VAL A 53 15.056 1.495 2.149 1.00 2.32 H new ATOM 0 HG22 VAL A 53 14.198 1.560 0.591 1.00 2.32 H new ATOM 0 HG23 VAL A 53 13.726 0.360 1.819 1.00 2.32 H new ATOM 795 N GLU A 54 15.805 -3.181 -0.435 1.00 30.15 N ATOM 796 CA GLU A 54 16.720 -4.218 -0.896 1.00 71.52 C ATOM 797 C GLU A 54 16.702 -4.321 -2.419 1.00 22.34 C ATOM 798 O GLU A 54 17.742 -4.222 -3.070 1.00 55.10 O ATOM 799 CB GLU A 54 16.349 -5.568 -0.279 1.00 21.44 C ATOM 800 CG GLU A 54 16.348 -5.563 1.241 1.00 54.31 C ATOM 801 CD GLU A 54 17.717 -5.846 1.827 1.00 43.23 C ATOM 802 OE1 GLU A 54 18.641 -5.039 1.591 1.00 12.54 O ATOM 803 OE2 GLU A 54 17.866 -6.874 2.520 1.00 51.24 O ATOM 0 H GLU A 54 15.103 -3.503 0.231 1.00 30.15 H new ATOM 0 HA GLU A 54 17.727 -3.946 -0.579 1.00 71.52 H new ATOM 0 HB2 GLU A 54 15.361 -5.861 -0.634 1.00 21.44 H new ATOM 0 HB3 GLU A 54 17.051 -6.324 -0.631 1.00 21.44 H new ATOM 0 HG2 GLU A 54 15.998 -4.594 1.597 1.00 54.31 H new ATOM 0 HG3 GLU A 54 15.641 -6.310 1.602 1.00 54.31 H new ATOM 810 N ALA A 55 15.514 -4.522 -2.978 1.00 53.45 N ATOM 811 CA ALA A 55 15.360 -4.637 -4.423 1.00 55.43 C ATOM 812 C ALA A 55 15.885 -3.393 -5.132 1.00 54.22 C ATOM 813 O ALA A 55 16.733 -3.484 -6.021 1.00 11.53 O ATOM 814 CB ALA A 55 13.900 -4.874 -4.781 1.00 52.31 C ATOM 0 H ALA A 55 14.644 -4.609 -2.453 1.00 53.45 H new ATOM 0 HA ALA A 55 15.949 -5.491 -4.759 1.00 55.43 H new ATOM 0 HB1 ALA A 55 13.800 -4.958 -5.863 1.00 52.31 H new ATOM 0 HB2 ALA A 55 13.555 -5.796 -4.312 1.00 52.31 H new ATOM 0 HB3 ALA A 55 13.298 -4.038 -4.425 1.00 52.31 H new ATOM 820 N LEU A 56 15.375 -2.232 -4.735 1.00 43.00 N ATOM 821 CA LEU A 56 15.793 -0.969 -5.333 1.00 53.42 C ATOM 822 C LEU A 56 17.308 -0.810 -5.269 1.00 24.21 C ATOM 823 O LEU A 56 17.936 -0.352 -6.224 1.00 15.51 O ATOM 824 CB LEU A 56 15.115 0.204 -4.621 1.00 64.24 C ATOM 825 CG LEU A 56 13.599 0.101 -4.453 1.00 1.05 C ATOM 826 CD1 LEU A 56 13.176 0.634 -3.092 1.00 62.43 C ATOM 827 CD2 LEU A 56 12.886 0.853 -5.567 1.00 3.11 C ATOM 0 H LEU A 56 14.672 -2.139 -4.002 1.00 43.00 H new ATOM 0 HA LEU A 56 15.491 -0.974 -6.380 1.00 53.42 H new ATOM 0 HB2 LEU A 56 15.563 0.312 -3.633 1.00 64.24 H new ATOM 0 HB3 LEU A 56 15.338 1.117 -5.174 1.00 64.24 H new ATOM 0 HG LEU A 56 13.317 -0.950 -4.513 1.00 1.05 H new ATOM 0 HD11 LEU A 56 12.094 0.553 -2.990 1.00 62.43 H new ATOM 0 HD12 LEU A 56 13.659 0.052 -2.307 1.00 62.43 H new ATOM 0 HD13 LEU A 56 13.472 1.679 -3.003 1.00 62.43 H new ATOM 0 HD21 LEU A 56 11.808 0.769 -5.431 1.00 3.11 H new ATOM 0 HD22 LEU A 56 13.174 1.904 -5.539 1.00 3.11 H new ATOM 0 HD23 LEU A 56 13.165 0.426 -6.530 1.00 3.11 H new ATOM 839 N ARG A 57 17.891 -1.195 -4.138 1.00 10.20 N ATOM 840 CA ARG A 57 19.333 -1.096 -3.950 1.00 23.43 C ATOM 841 C ARG A 57 20.074 -1.968 -4.959 1.00 61.05 C ATOM 842 O ARG A 57 21.055 -1.538 -5.566 1.00 43.41 O ATOM 843 CB ARG A 57 19.713 -1.511 -2.527 1.00 13.12 C ATOM 844 CG ARG A 57 19.865 -0.339 -1.571 1.00 51.21 C ATOM 845 CD ARG A 57 20.188 -0.808 -0.161 1.00 73.01 C ATOM 846 NE ARG A 57 21.619 -1.023 0.030 1.00 65.42 N ATOM 847 CZ ARG A 57 22.126 -1.782 0.995 1.00 23.03 C ATOM 848 NH1 ARG A 57 21.322 -2.395 1.853 1.00 52.23 N ATOM 849 NH2 ARG A 57 23.440 -1.929 1.104 1.00 25.42 N ATOM 0 H ARG A 57 17.387 -1.578 -3.339 1.00 10.20 H new ATOM 0 HA ARG A 57 19.624 -0.058 -4.109 1.00 23.43 H new ATOM 0 HB2 ARG A 57 18.952 -2.189 -2.140 1.00 13.12 H new ATOM 0 HB3 ARG A 57 20.650 -2.068 -2.558 1.00 13.12 H new ATOM 0 HG2 ARG A 57 20.656 0.321 -1.926 1.00 51.21 H new ATOM 0 HG3 ARG A 57 18.944 0.244 -1.560 1.00 51.21 H new ATOM 0 HD2 ARG A 57 19.834 -0.068 0.557 1.00 73.01 H new ATOM 0 HD3 ARG A 57 19.652 -1.734 0.045 1.00 73.01 H new ATOM 0 HE ARG A 57 22.265 -0.565 -0.613 1.00 65.42 H new ATOM 0 HH11 ARG A 57 20.311 -2.284 1.773 1.00 52.23 H new ATOM 0 HH12 ARG A 57 21.714 -2.977 2.593 1.00 52.23 H new ATOM 0 HH21 ARG A 57 24.062 -1.459 0.446 1.00 25.42 H new ATOM 0 HH22 ARG A 57 23.828 -2.512 1.845 1.00 25.42 H new ATOM 863 N LYS A 58 19.598 -3.196 -5.135 1.00 23.24 N ATOM 864 CA LYS A 58 20.214 -4.129 -6.071 1.00 33.42 C ATOM 865 C LYS A 58 20.174 -3.579 -7.493 1.00 2.12 C ATOM 866 O LYS A 58 21.212 -3.418 -8.134 1.00 71.43 O ATOM 867 CB LYS A 58 19.501 -5.483 -6.017 1.00 1.45 C ATOM 868 CG LYS A 58 19.797 -6.276 -4.755 1.00 41.34 C ATOM 869 CD LYS A 58 21.038 -7.137 -4.917 1.00 22.32 C ATOM 870 CE LYS A 58 22.289 -6.406 -4.453 1.00 54.14 C ATOM 871 NZ LYS A 58 22.865 -7.017 -3.224 1.00 21.11 N ATOM 0 H LYS A 58 18.787 -3.568 -4.641 1.00 23.24 H new ATOM 0 HA LYS A 58 21.256 -4.261 -5.780 1.00 33.42 H new ATOM 0 HB2 LYS A 58 18.426 -5.321 -6.091 1.00 1.45 H new ATOM 0 HB3 LYS A 58 19.795 -6.074 -6.885 1.00 1.45 H new ATOM 0 HG2 LYS A 58 19.934 -5.592 -3.918 1.00 41.34 H new ATOM 0 HG3 LYS A 58 18.943 -6.909 -4.513 1.00 41.34 H new ATOM 0 HD2 LYS A 58 20.920 -8.058 -4.345 1.00 22.32 H new ATOM 0 HD3 LYS A 58 21.149 -7.423 -5.963 1.00 22.32 H new ATOM 0 HE2 LYS A 58 23.034 -6.420 -5.249 1.00 54.14 H new ATOM 0 HE3 LYS A 58 22.048 -5.361 -4.260 1.00 54.14 H new ATOM 0 HZ1 LYS A 58 23.716 -6.490 -2.940 1.00 21.11 H new ATOM 0 HZ2 LYS A 58 22.164 -6.981 -2.457 1.00 21.11 H new ATOM 0 HZ3 LYS A 58 23.119 -8.007 -3.415 1.00 21.11 H new ATOM 885 N GLU A 59 18.971 -3.291 -7.978 1.00 15.41 N ATOM 886 CA GLU A 59 18.798 -2.757 -9.324 1.00 72.41 C ATOM 887 C GLU A 59 19.674 -1.526 -9.538 1.00 72.31 C ATOM 888 O GLU A 59 20.431 -1.451 -10.505 1.00 53.34 O ATOM 889 CB GLU A 59 17.330 -2.402 -9.571 1.00 43.14 C ATOM 890 CG GLU A 59 16.400 -3.603 -9.543 1.00 40.15 C ATOM 891 CD GLU A 59 15.123 -3.370 -10.327 1.00 12.11 C ATOM 892 OE1 GLU A 59 15.206 -3.192 -11.560 1.00 5.21 O ATOM 893 OE2 GLU A 59 14.039 -3.366 -9.706 1.00 1.10 O ATOM 0 H GLU A 59 18.102 -3.418 -7.460 1.00 15.41 H new ATOM 0 HA GLU A 59 19.103 -3.526 -10.034 1.00 72.41 H new ATOM 0 HB2 GLU A 59 17.006 -1.685 -8.816 1.00 43.14 H new ATOM 0 HB3 GLU A 59 17.242 -1.908 -10.539 1.00 43.14 H new ATOM 0 HG2 GLU A 59 16.920 -4.470 -9.951 1.00 40.15 H new ATOM 0 HG3 GLU A 59 16.149 -3.840 -8.509 1.00 40.15 H new ATOM 900 N ALA A 60 19.564 -0.564 -8.628 1.00 50.23 N ATOM 901 CA ALA A 60 20.346 0.663 -8.716 1.00 2.02 C ATOM 902 C ALA A 60 21.828 0.357 -8.904 1.00 61.02 C ATOM 903 O ALA A 60 22.462 0.858 -9.833 1.00 32.42 O ATOM 904 CB ALA A 60 20.135 1.514 -7.472 1.00 71.41 C ATOM 0 H ALA A 60 18.941 -0.611 -7.822 1.00 50.23 H new ATOM 0 HA ALA A 60 20.003 1.221 -9.587 1.00 2.02 H new ATOM 0 HB1 ALA A 60 20.725 2.427 -7.551 1.00 71.41 H new ATOM 0 HB2 ALA A 60 19.080 1.771 -7.381 1.00 71.41 H new ATOM 0 HB3 ALA A 60 20.449 0.955 -6.591 1.00 71.41 H new ATOM 910 N ALA A 61 22.375 -0.468 -8.017 1.00 12.42 N ATOM 911 CA ALA A 61 23.782 -0.841 -8.087 1.00 20.04 C ATOM 912 C ALA A 61 24.134 -1.401 -9.461 1.00 32.24 C ATOM 913 O ALA A 61 25.165 -1.055 -10.037 1.00 34.31 O ATOM 914 CB ALA A 61 24.114 -1.854 -7.001 1.00 13.12 C ATOM 0 H ALA A 61 21.865 -0.891 -7.242 1.00 12.42 H new ATOM 0 HA ALA A 61 24.379 0.057 -7.926 1.00 20.04 H new ATOM 0 HB1 ALA A 61 25.168 -2.124 -7.065 1.00 13.12 H new ATOM 0 HB2 ALA A 61 23.910 -1.419 -6.023 1.00 13.12 H new ATOM 0 HB3 ALA A 61 23.502 -2.746 -7.136 1.00 13.12 H new ATOM 920 N ALA A 62 23.271 -2.269 -9.980 1.00 11.45 N ATOM 921 CA ALA A 62 23.490 -2.876 -11.286 1.00 44.55 C ATOM 922 C ALA A 62 23.599 -1.812 -12.374 1.00 63.32 C ATOM 923 O ALA A 62 24.510 -1.849 -13.202 1.00 4.23 O ATOM 924 CB ALA A 62 22.369 -3.852 -11.610 1.00 50.41 C ATOM 0 H ALA A 62 22.414 -2.567 -9.515 1.00 11.45 H new ATOM 0 HA ALA A 62 24.433 -3.422 -11.252 1.00 44.55 H new ATOM 0 HB1 ALA A 62 22.546 -4.298 -12.589 1.00 50.41 H new ATOM 0 HB2 ALA A 62 22.340 -4.637 -10.854 1.00 50.41 H new ATOM 0 HB3 ALA A 62 21.417 -3.322 -11.620 1.00 50.41 H new ATOM 930 N ILE A 63 22.665 -0.868 -12.367 1.00 50.42 N ATOM 931 CA ILE A 63 22.657 0.206 -13.353 1.00 62.34 C ATOM 932 C ILE A 63 23.946 1.019 -13.291 1.00 15.01 C ATOM 933 O ILE A 63 24.539 1.340 -14.320 1.00 44.14 O ATOM 934 CB ILE A 63 21.457 1.149 -13.149 1.00 42.21 C ATOM 935 CG1 ILE A 63 20.146 0.364 -13.215 1.00 72.23 C ATOM 936 CG2 ILE A 63 21.471 2.257 -14.192 1.00 32.20 C ATOM 937 CD1 ILE A 63 19.151 0.758 -12.147 1.00 14.23 C ATOM 0 H ILE A 63 21.904 -0.825 -11.690 1.00 50.42 H new ATOM 0 HA ILE A 63 22.575 -0.265 -14.332 1.00 62.34 H new ATOM 0 HB ILE A 63 21.536 1.605 -12.162 1.00 42.21 H new ATOM 0 HG12 ILE A 63 19.692 0.512 -14.195 1.00 72.23 H new ATOM 0 HG13 ILE A 63 20.364 -0.700 -13.122 1.00 72.23 H new ATOM 0 HG21 ILE A 63 20.617 2.915 -14.035 1.00 32.20 H new ATOM 0 HG22 ILE A 63 22.393 2.831 -14.101 1.00 32.20 H new ATOM 0 HG23 ILE A 63 21.413 1.819 -15.189 1.00 32.20 H new ATOM 0 HD11 ILE A 63 18.246 0.161 -12.255 1.00 14.23 H new ATOM 0 HD12 ILE A 63 19.586 0.584 -11.163 1.00 14.23 H new ATOM 0 HD13 ILE A 63 18.903 1.814 -12.252 1.00 14.23 H new ATOM 949 N ARG A 64 24.373 1.348 -12.076 1.00 61.42 N ATOM 950 CA ARG A 64 25.592 2.123 -11.879 1.00 71.01 C ATOM 951 C ARG A 64 26.797 1.403 -12.477 1.00 50.23 C ATOM 952 O ARG A 64 27.601 2.004 -13.190 1.00 11.41 O ATOM 953 CB ARG A 64 25.824 2.377 -10.389 1.00 4.24 C ATOM 954 CG ARG A 64 26.435 3.737 -10.091 1.00 24.33 C ATOM 955 CD ARG A 64 27.225 3.720 -8.791 1.00 60.12 C ATOM 956 NE ARG A 64 27.420 5.063 -8.252 1.00 44.11 N ATOM 957 CZ ARG A 64 27.742 5.307 -6.986 1.00 55.55 C ATOM 958 NH1 ARG A 64 27.903 4.304 -6.135 1.00 11.55 N ATOM 959 NH2 ARG A 64 27.902 6.557 -6.571 1.00 44.30 N ATOM 0 H ARG A 64 23.893 1.090 -11.214 1.00 61.42 H new ATOM 0 HA ARG A 64 25.472 3.079 -12.389 1.00 71.01 H new ATOM 0 HB2 ARG A 64 24.874 2.292 -9.862 1.00 4.24 H new ATOM 0 HB3 ARG A 64 26.478 1.600 -9.994 1.00 4.24 H new ATOM 0 HG2 ARG A 64 27.089 4.031 -10.912 1.00 24.33 H new ATOM 0 HG3 ARG A 64 25.646 4.486 -10.029 1.00 24.33 H new ATOM 0 HD2 ARG A 64 26.702 3.107 -8.057 1.00 60.12 H new ATOM 0 HD3 ARG A 64 28.195 3.254 -8.962 1.00 60.12 H new ATOM 0 HE ARG A 64 27.303 5.857 -8.881 1.00 44.11 H new ATOM 0 HH11 ARG A 64 27.780 3.342 -6.451 1.00 11.55 H new ATOM 0 HH12 ARG A 64 28.150 4.494 -5.164 1.00 11.55 H new ATOM 0 HH21 ARG A 64 27.778 7.331 -7.224 1.00 44.30 H new ATOM 0 HH22 ARG A 64 28.149 6.744 -5.599 1.00 44.30 H new ATOM 973 N ASP A 65 26.915 0.113 -12.182 1.00 45.41 N ATOM 974 CA ASP A 65 28.022 -0.689 -12.691 1.00 11.10 C ATOM 975 C ASP A 65 28.043 -0.680 -14.216 1.00 60.03 C ATOM 976 O ASP A 65 29.100 -0.538 -14.831 1.00 13.55 O ATOM 977 CB ASP A 65 27.916 -2.126 -12.178 1.00 52.04 C ATOM 978 CG ASP A 65 28.302 -2.250 -10.718 1.00 12.55 C ATOM 979 OD1 ASP A 65 29.476 -1.978 -10.389 1.00 75.14 O ATOM 980 OD2 ASP A 65 27.430 -2.619 -9.902 1.00 43.53 O ATOM 0 H ASP A 65 26.258 -0.400 -11.593 1.00 45.41 H new ATOM 0 HA ASP A 65 28.953 -0.250 -12.330 1.00 11.10 H new ATOM 0 HB2 ASP A 65 26.895 -2.482 -12.312 1.00 52.04 H new ATOM 0 HB3 ASP A 65 28.559 -2.771 -12.777 1.00 52.04 H new ATOM 985 N GLU A 66 26.869 -0.834 -14.820 1.00 71.34 N ATOM 986 CA GLU A 66 26.754 -0.846 -16.274 1.00 1.10 C ATOM 987 C GLU A 66 27.250 0.469 -16.869 1.00 74.14 C ATOM 988 O GLU A 66 28.029 0.476 -17.823 1.00 3.02 O ATOM 989 CB GLU A 66 25.303 -1.093 -16.691 1.00 52.53 C ATOM 990 CG GLU A 66 24.686 -2.325 -16.051 1.00 4.22 C ATOM 991 CD GLU A 66 24.409 -3.427 -17.055 1.00 24.25 C ATOM 992 OE1 GLU A 66 23.858 -3.124 -18.133 1.00 0.21 O ATOM 993 OE2 GLU A 66 24.745 -4.594 -16.761 1.00 12.11 O ATOM 0 H GLU A 66 25.985 -0.952 -14.326 1.00 71.34 H new ATOM 0 HA GLU A 66 27.376 -1.655 -16.656 1.00 1.10 H new ATOM 0 HB2 GLU A 66 24.705 -0.220 -16.429 1.00 52.53 H new ATOM 0 HB3 GLU A 66 25.258 -1.196 -17.775 1.00 52.53 H new ATOM 0 HG2 GLU A 66 25.356 -2.702 -15.278 1.00 4.22 H new ATOM 0 HG3 GLU A 66 23.755 -2.046 -15.557 1.00 4.22 H new ATOM 1000 N CYS A 67 26.791 1.579 -16.301 1.00 24.50 N ATOM 1001 CA CYS A 67 27.186 2.900 -16.776 1.00 3.03 C ATOM 1002 C CYS A 67 28.702 3.066 -16.724 1.00 35.02 C ATOM 1003 O CYS A 67 29.310 3.591 -17.656 1.00 14.32 O ATOM 1004 CB CYS A 67 26.513 3.988 -15.938 1.00 31.12 C ATOM 1005 SG CYS A 67 24.722 4.089 -16.162 1.00 14.52 S ATOM 0 H CYS A 67 26.145 1.590 -15.511 1.00 24.50 H new ATOM 0 HA CYS A 67 26.863 2.998 -17.813 1.00 3.03 H new ATOM 0 HB2 CYS A 67 26.727 3.805 -14.885 1.00 31.12 H new ATOM 0 HB3 CYS A 67 26.955 4.952 -16.191 1.00 31.12 H new ATOM 0 HG CYS A 67 24.243 5.036 -15.411 1.00 14.52 H new ATOM 1011 N GLN A 68 29.304 2.616 -15.628 1.00 13.03 N ATOM 1012 CA GLN A 68 30.748 2.717 -15.454 1.00 11.22 C ATOM 1013 C GLN A 68 31.479 1.802 -16.430 1.00 42.14 C ATOM 1014 O GLN A 68 32.593 2.101 -16.861 1.00 34.11 O ATOM 1015 CB GLN A 68 31.136 2.364 -14.017 1.00 72.41 C ATOM 1016 CG GLN A 68 30.285 3.061 -12.968 1.00 3.31 C ATOM 1017 CD GLN A 68 31.112 3.883 -11.999 1.00 10.04 C ATOM 1018 OE1 GLN A 68 31.634 4.941 -12.351 1.00 54.15 O ATOM 1019 NE2 GLN A 68 31.236 3.399 -10.768 1.00 52.41 N ATOM 0 H GLN A 68 28.814 2.178 -14.848 1.00 13.03 H new ATOM 0 HA GLN A 68 31.042 3.746 -15.660 1.00 11.22 H new ATOM 0 HB2 GLN A 68 31.053 1.286 -13.882 1.00 72.41 H new ATOM 0 HB3 GLN A 68 32.182 2.626 -13.857 1.00 72.41 H new ATOM 0 HG2 GLN A 68 29.562 3.709 -13.464 1.00 3.31 H new ATOM 0 HG3 GLN A 68 29.716 2.315 -12.413 1.00 3.31 H new ATOM 0 HE21 GLN A 68 30.786 2.518 -10.519 1.00 52.41 H new ATOM 0 HE22 GLN A 68 31.781 3.908 -10.072 1.00 52.41 H new ATOM 1028 N ALA A 69 30.846 0.686 -16.776 1.00 15.15 N ATOM 1029 CA ALA A 69 31.435 -0.272 -17.703 1.00 3.25 C ATOM 1030 C ALA A 69 31.285 0.197 -19.146 1.00 4.22 C ATOM 1031 O ALA A 69 31.853 -0.396 -20.064 1.00 14.04 O ATOM 1032 CB ALA A 69 30.799 -1.642 -17.522 1.00 14.21 C ATOM 0 H ALA A 69 29.924 0.423 -16.428 1.00 15.15 H new ATOM 0 HA ALA A 69 32.500 -0.346 -17.482 1.00 3.25 H new ATOM 0 HB1 ALA A 69 31.249 -2.347 -18.221 1.00 14.21 H new ATOM 0 HB2 ALA A 69 30.964 -1.988 -16.501 1.00 14.21 H new ATOM 0 HB3 ALA A 69 29.728 -1.574 -17.714 1.00 14.21 H new ATOM 1038 N TYR A 70 30.518 1.264 -19.339 1.00 41.14 N ATOM 1039 CA TYR A 70 30.291 1.811 -20.672 1.00 21.41 C ATOM 1040 C TYR A 70 31.203 3.005 -20.933 1.00 44.25 C ATOM 1041 O TYR A 70 31.704 3.187 -22.044 1.00 15.24 O ATOM 1042 CB TYR A 70 28.828 2.227 -20.833 1.00 1.12 C ATOM 1043 CG TYR A 70 27.853 1.081 -20.687 1.00 13.15 C ATOM 1044 CD1 TYR A 70 28.196 -0.205 -21.085 1.00 1.20 C ATOM 1045 CD2 TYR A 70 26.588 1.284 -20.149 1.00 13.43 C ATOM 1046 CE1 TYR A 70 27.308 -1.254 -20.954 1.00 33.42 C ATOM 1047 CE2 TYR A 70 25.693 0.240 -20.012 1.00 43.34 C ATOM 1048 CZ TYR A 70 26.058 -1.027 -20.417 1.00 13.02 C ATOM 1049 OH TYR A 70 25.170 -2.070 -20.283 1.00 64.22 O ATOM 0 H TYR A 70 30.043 1.767 -18.590 1.00 41.14 H new ATOM 0 HA TYR A 70 30.523 1.034 -21.400 1.00 21.41 H new ATOM 0 HB2 TYR A 70 28.592 2.990 -20.091 1.00 1.12 H new ATOM 0 HB3 TYR A 70 28.695 2.684 -21.814 1.00 1.12 H new ATOM 0 HD1 TYR A 70 29.174 -0.387 -21.504 1.00 1.20 H new ATOM 0 HD2 TYR A 70 26.299 2.275 -19.832 1.00 13.43 H new ATOM 0 HE1 TYR A 70 27.591 -2.247 -21.270 1.00 33.42 H new ATOM 0 HE2 TYR A 70 24.714 0.415 -19.591 1.00 43.34 H new ATOM 0 HH TYR A 70 24.545 -1.876 -19.554 1.00 64.22 H new ATOM 1059 N ARG A 71 31.416 3.816 -19.902 1.00 55.22 N ATOM 1060 CA ARG A 71 32.267 4.994 -20.019 1.00 52.01 C ATOM 1061 C ARG A 71 33.194 5.116 -18.814 1.00 5.13 C ATOM 1062 O ARG A 71 33.350 6.196 -18.243 1.00 52.54 O ATOM 1063 CB ARG A 71 31.412 6.256 -20.148 1.00 43.34 C ATOM 1064 CG ARG A 71 32.090 7.374 -20.925 1.00 30.34 C ATOM 1065 CD ARG A 71 31.119 8.501 -21.241 1.00 22.34 C ATOM 1066 NE ARG A 71 31.796 9.789 -21.358 1.00 42.44 N ATOM 1067 CZ ARG A 71 32.504 10.153 -22.422 1.00 52.30 C ATOM 1068 NH1 ARG A 71 32.626 9.330 -23.454 1.00 40.33 N ATOM 1069 NH2 ARG A 71 33.091 11.343 -22.455 1.00 33.13 N ATOM 0 H ARG A 71 31.011 3.679 -18.976 1.00 55.22 H new ATOM 0 HA ARG A 71 32.877 4.883 -20.916 1.00 52.01 H new ATOM 0 HB2 ARG A 71 30.474 6.000 -20.640 1.00 43.34 H new ATOM 0 HB3 ARG A 71 31.161 6.618 -19.151 1.00 43.34 H new ATOM 0 HG2 ARG A 71 32.927 7.765 -20.346 1.00 30.34 H new ATOM 0 HG3 ARG A 71 32.502 6.976 -21.853 1.00 30.34 H new ATOM 0 HD2 ARG A 71 30.597 8.280 -22.172 1.00 22.34 H new ATOM 0 HD3 ARG A 71 30.363 8.559 -20.458 1.00 22.34 H new ATOM 0 HE ARG A 71 31.722 10.445 -20.581 1.00 42.44 H new ATOM 0 HH11 ARG A 71 32.176 8.415 -23.433 1.00 40.33 H new ATOM 0 HH12 ARG A 71 33.170 9.612 -24.270 1.00 40.33 H new ATOM 0 HH21 ARG A 71 32.999 11.979 -21.663 1.00 33.13 H new ATOM 0 HH22 ARG A 71 33.634 11.621 -23.272 1.00 33.13 H new ATOM 1083 N HIS A 72 33.809 4.001 -18.431 1.00 15.13 N ATOM 1084 CA HIS A 72 34.721 3.983 -17.293 1.00 1.11 C ATOM 1085 C HIS A 72 35.298 2.587 -17.082 1.00 24.34 C ATOM 1086 O HIS A 72 35.541 2.170 -15.950 1.00 34.31 O ATOM 1087 CB HIS A 72 34.000 4.447 -16.027 1.00 23.33 C ATOM 1088 CG HIS A 72 34.770 5.460 -15.237 1.00 15.33 C ATOM 1089 ND1 HIS A 72 34.284 6.720 -14.953 1.00 64.53 N ATOM 1090 CD2 HIS A 72 35.996 5.394 -14.668 1.00 11.33 C ATOM 1091 CE1 HIS A 72 35.180 7.385 -14.246 1.00 32.14 C ATOM 1092 NE2 HIS A 72 36.228 6.603 -14.058 1.00 74.22 N ATOM 0 H HIS A 72 33.692 3.099 -18.892 1.00 15.13 H new ATOM 0 HA HIS A 72 35.542 4.668 -17.506 1.00 1.11 H new ATOM 0 HB2 HIS A 72 33.035 4.871 -16.303 1.00 23.33 H new ATOM 0 HB3 HIS A 72 33.799 3.582 -15.395 1.00 23.33 H new ATOM 0 HD2 HIS A 72 36.667 4.548 -14.689 1.00 11.33 H new ATOM 0 HE1 HIS A 72 35.074 8.397 -13.883 1.00 32.14 H new ATOM 0 HE2 HIS A 72 37.072 6.856 -13.544 1.00 74.22 H new ATOM 1100 N ASN A 73 35.516 1.869 -18.179 1.00 54.10 N ATOM 1101 CA ASN A 73 36.063 0.519 -18.113 1.00 61.04 C ATOM 1102 C ASN A 73 37.017 0.262 -19.276 1.00 75.54 C ATOM 1103 O ASN A 73 38.156 0.726 -19.271 1.00 64.34 O ATOM 1104 CB ASN A 73 34.934 -0.513 -18.127 1.00 73.12 C ATOM 1105 CG ASN A 73 35.429 -1.907 -18.460 1.00 75.41 C ATOM 1106 OD1 ASN A 73 35.489 -2.295 -19.627 1.00 53.42 O ATOM 1107 ND2 ASN A 73 35.786 -2.669 -17.433 1.00 34.23 N ATOM 0 H ASN A 73 35.322 2.200 -19.124 1.00 54.10 H new ATOM 0 HA ASN A 73 36.620 0.424 -17.181 1.00 61.04 H new ATOM 0 HB2 ASN A 73 34.446 -0.527 -17.152 1.00 73.12 H new ATOM 0 HB3 ASN A 73 34.181 -0.214 -18.856 1.00 73.12 H new ATOM 0 HD21 ASN A 73 36.126 -3.617 -17.595 1.00 34.23 H new ATOM 0 HD22 ASN A 73 35.720 -2.307 -16.482 1.00 34.23 H new TER 1114 ASN A 73