USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 633 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 1 MET N :NH3+ -111:sc= -0.781! (180deg=-5.54!) USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0.952 USER MOD Single : A 1 MET CE :methyl 167:sc= 0 (180deg=-0.298) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.604 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot -55:sc= 0.913 USER MOD Single : A 17 SER OG : rot -56:sc= 0.468! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 22 ASN : amide:sc= -0.0109 X(o=-0.011,f=-0.18) USER MOD Single : A 23 THR OG1 : rot 156:sc= 1.1 USER MOD Single : A 28 LYS NZ :NH3+ -162:sc= -0.0536 (180deg=-0.496) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -51:sc= 1.04 USER MOD Single : A 40 ASN : amide:sc= -1.85 K(o=-1.9,f=-2.9!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 85:sc= 0.562 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= -0.0433 (180deg=-0.0433) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -100:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -5.12! C(o=-5.1!,f=-6.1!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A 1 1.467 -0.944 -2.265 1.00 10.03 C ATOM 4 O MET A 1 0.970 -0.508 -3.304 1.00 41.01 O ATOM 5 CB MET A 1 3.543 -0.409 -0.974 1.00 75.44 C ATOM 6 CG MET A 1 4.527 0.138 -1.995 1.00 52.13 C ATOM 7 SD MET A 1 6.199 0.288 -1.337 1.00 53.10 S ATOM 8 CE MET A 1 6.425 -1.335 -0.614 1.00 51.00 C ATOM 0 H1 MET A 1 0.856 0.919 0.116 1.00 0.00 H new ATOM 0 H2 MET A 1 0.615 -0.755 -0.031 1.00 0.00 H new ATOM 0 H3 MET A 1 1.970 -0.163 0.802 1.00 0.00 H new ATOM 0 HA MET A 1 2.078 1.010 -1.649 1.00 52.33 H new ATOM 0 HB2 MET A 1 3.832 -0.063 0.018 1.00 75.44 H new ATOM 0 HB3 MET A 1 3.610 -1.497 -0.964 1.00 75.44 H new ATOM 0 HG2 MET A 1 4.541 -0.516 -2.867 1.00 52.13 H new ATOM 0 HG3 MET A 1 4.186 1.116 -2.335 1.00 52.13 H new ATOM 0 HE1 MET A 1 7.478 -1.483 -0.373 1.00 51.00 H new ATOM 0 HE2 MET A 1 5.830 -1.414 0.296 1.00 51.00 H new ATOM 0 HE3 MET A 1 6.105 -2.097 -1.324 1.00 51.00 H new ATOM 18 N LEU A 2 1.495 -2.238 -1.964 1.00 15.40 N ATOM 19 CA LEU A 2 0.930 -3.243 -2.857 1.00 72.05 C ATOM 20 C LEU A 2 -0.374 -3.800 -2.295 1.00 60.43 C ATOM 21 O LEU A 2 -0.411 -4.314 -1.176 1.00 62.13 O ATOM 22 CB LEU A 2 1.931 -4.379 -3.077 1.00 13.22 C ATOM 23 CG LEU A 2 1.390 -5.623 -3.782 1.00 61.03 C ATOM 24 CD1 LEU A 2 2.273 -5.992 -4.964 1.00 71.42 C ATOM 25 CD2 LEU A 2 1.287 -6.787 -2.807 1.00 41.40 C ATOM 0 H LEU A 2 1.903 -2.615 -1.109 1.00 15.40 H new ATOM 0 HA LEU A 2 0.717 -2.765 -3.813 1.00 72.05 H new ATOM 0 HB2 LEU A 2 2.768 -3.992 -3.658 1.00 13.22 H new ATOM 0 HB3 LEU A 2 2.328 -4.679 -2.107 1.00 13.22 H new ATOM 0 HG LEU A 2 0.391 -5.400 -4.156 1.00 61.03 H new ATOM 0 HD11 LEU A 2 1.873 -6.880 -5.454 1.00 71.42 H new ATOM 0 HD12 LEU A 2 2.295 -5.165 -5.674 1.00 71.42 H new ATOM 0 HD13 LEU A 2 3.284 -6.196 -4.613 1.00 71.42 H new ATOM 0 HD21 LEU A 2 0.900 -7.664 -3.327 1.00 41.40 H new ATOM 0 HD22 LEU A 2 2.274 -7.011 -2.402 1.00 41.40 H new ATOM 0 HD23 LEU A 2 0.613 -6.521 -1.993 1.00 41.40 H new ATOM 37 N LEU A 3 -1.442 -3.698 -3.079 1.00 3.31 N ATOM 38 CA LEU A 3 -2.748 -4.194 -2.661 1.00 13.34 C ATOM 39 C LEU A 3 -3.463 -4.887 -3.816 1.00 51.32 C ATOM 40 O LEU A 3 -3.285 -4.523 -4.979 1.00 4.02 O ATOM 41 CB LEU A 3 -3.607 -3.044 -2.131 1.00 43.41 C ATOM 42 CG LEU A 3 -4.395 -2.257 -3.179 1.00 11.11 C ATOM 43 CD1 LEU A 3 -5.388 -1.321 -2.508 1.00 33.02 C ATOM 44 CD2 LEU A 3 -3.451 -1.477 -4.082 1.00 42.10 C ATOM 0 H LEU A 3 -1.429 -3.276 -4.008 1.00 3.31 H new ATOM 0 HA LEU A 3 -2.594 -4.922 -1.864 1.00 13.34 H new ATOM 0 HB2 LEU A 3 -4.311 -3.448 -1.404 1.00 43.41 H new ATOM 0 HB3 LEU A 3 -2.959 -2.350 -1.596 1.00 43.41 H new ATOM 0 HG LEU A 3 -4.952 -2.964 -3.794 1.00 11.11 H new ATOM 0 HD11 LEU A 3 -5.940 -0.769 -3.269 1.00 33.02 H new ATOM 0 HD12 LEU A 3 -6.085 -1.902 -1.904 1.00 33.02 H new ATOM 0 HD13 LEU A 3 -4.852 -0.620 -1.869 1.00 33.02 H new ATOM 0 HD21 LEU A 3 -4.029 -0.923 -4.821 1.00 42.10 H new ATOM 0 HD22 LEU A 3 -2.867 -0.780 -3.482 1.00 42.10 H new ATOM 0 HD23 LEU A 3 -2.780 -2.169 -4.591 1.00 42.10 H new ATOM 56 N LYS A 4 -4.275 -5.886 -3.489 1.00 31.14 N ATOM 57 CA LYS A 4 -5.021 -6.629 -4.498 1.00 2.13 C ATOM 58 C LYS A 4 -6.512 -6.323 -4.407 1.00 54.20 C ATOM 59 O LYS A 4 -7.179 -6.713 -3.449 1.00 33.42 O ATOM 60 CB LYS A 4 -4.787 -8.132 -4.331 1.00 23.01 C ATOM 61 CG LYS A 4 -5.721 -8.990 -5.167 1.00 12.45 C ATOM 62 CD LYS A 4 -5.423 -10.470 -4.995 1.00 42.51 C ATOM 63 CE LYS A 4 -6.658 -11.240 -4.555 1.00 12.11 C ATOM 64 NZ LYS A 4 -6.483 -12.710 -4.718 1.00 42.44 N ATOM 0 H LYS A 4 -4.434 -6.200 -2.532 1.00 31.14 H new ATOM 0 HA LYS A 4 -4.664 -6.319 -5.480 1.00 2.13 H new ATOM 0 HB2 LYS A 4 -3.756 -8.363 -4.601 1.00 23.01 H new ATOM 0 HB3 LYS A 4 -4.908 -8.395 -3.280 1.00 23.01 H new ATOM 0 HG2 LYS A 4 -6.754 -8.790 -4.881 1.00 12.45 H new ATOM 0 HG3 LYS A 4 -5.623 -8.718 -6.218 1.00 12.45 H new ATOM 0 HD2 LYS A 4 -5.054 -10.879 -5.935 1.00 42.51 H new ATOM 0 HD3 LYS A 4 -4.631 -10.599 -4.258 1.00 42.51 H new ATOM 0 HE2 LYS A 4 -6.874 -11.014 -3.511 1.00 12.11 H new ATOM 0 HE3 LYS A 4 -7.518 -10.910 -5.137 1.00 12.11 H new ATOM 0 HZ1 LYS A 4 -7.347 -13.199 -4.407 1.00 42.44 H new ATOM 0 HZ2 LYS A 4 -6.302 -12.929 -5.718 1.00 42.44 H new ATOM 0 HZ3 LYS A 4 -5.678 -13.030 -4.142 1.00 42.44 H new ATOM 78 N VAL A 5 -7.030 -5.623 -5.411 1.00 54.33 N ATOM 79 CA VAL A 5 -8.444 -5.267 -5.446 1.00 1.31 C ATOM 80 C VAL A 5 -9.220 -6.187 -6.382 1.00 45.40 C ATOM 81 O VAL A 5 -8.864 -6.346 -7.550 1.00 3.11 O ATOM 82 CB VAL A 5 -8.644 -3.807 -5.896 1.00 32.33 C ATOM 83 CG1 VAL A 5 -8.015 -2.849 -4.896 1.00 32.01 C ATOM 84 CG2 VAL A 5 -8.066 -3.595 -7.287 1.00 11.24 C ATOM 0 H VAL A 5 -6.492 -5.291 -6.211 1.00 54.33 H new ATOM 0 HA VAL A 5 -8.825 -5.382 -4.431 1.00 1.31 H new ATOM 0 HB VAL A 5 -9.713 -3.600 -5.937 1.00 32.33 H new ATOM 0 HG11 VAL A 5 -8.166 -1.823 -5.231 1.00 32.01 H new ATOM 0 HG12 VAL A 5 -8.480 -2.985 -3.920 1.00 32.01 H new ATOM 0 HG13 VAL A 5 -6.947 -3.052 -4.820 1.00 32.01 H new ATOM 0 HG21 VAL A 5 -8.216 -2.559 -7.589 1.00 11.24 H new ATOM 0 HG22 VAL A 5 -6.999 -3.819 -7.276 1.00 11.24 H new ATOM 0 HG23 VAL A 5 -8.568 -4.255 -7.994 1.00 11.24 H new ATOM 94 N LYS A 6 -10.283 -6.791 -5.862 1.00 44.31 N ATOM 95 CA LYS A 6 -11.112 -7.694 -6.651 1.00 22.33 C ATOM 96 C LYS A 6 -12.579 -7.282 -6.587 1.00 1.04 C ATOM 97 O LYS A 6 -13.167 -7.206 -5.507 1.00 51.32 O ATOM 98 CB LYS A 6 -10.953 -9.132 -6.151 1.00 62.12 C ATOM 99 CG LYS A 6 -11.207 -9.290 -4.662 1.00 60.31 C ATOM 100 CD LYS A 6 -10.140 -10.148 -4.002 1.00 74.24 C ATOM 101 CE LYS A 6 -10.735 -11.056 -2.937 1.00 15.22 C ATOM 102 NZ LYS A 6 -9.856 -11.156 -1.740 1.00 23.55 N ATOM 0 H LYS A 6 -10.591 -6.671 -4.897 1.00 44.31 H new ATOM 0 HA LYS A 6 -10.782 -7.637 -7.688 1.00 22.33 H new ATOM 0 HB2 LYS A 6 -11.641 -9.776 -6.699 1.00 62.12 H new ATOM 0 HB3 LYS A 6 -9.944 -9.477 -6.378 1.00 62.12 H new ATOM 0 HG2 LYS A 6 -11.229 -8.308 -4.190 1.00 60.31 H new ATOM 0 HG3 LYS A 6 -12.187 -9.741 -4.505 1.00 60.31 H new ATOM 0 HD2 LYS A 6 -9.638 -10.752 -4.758 1.00 74.24 H new ATOM 0 HD3 LYS A 6 -9.382 -9.506 -3.553 1.00 74.24 H new ATOM 0 HE2 LYS A 6 -11.712 -10.675 -2.639 1.00 15.22 H new ATOM 0 HE3 LYS A 6 -10.894 -12.050 -3.355 1.00 15.22 H new ATOM 0 HZ1 LYS A 6 -10.296 -11.784 -1.037 1.00 23.55 H new ATOM 0 HZ2 LYS A 6 -8.932 -11.543 -2.019 1.00 23.55 H new ATOM 0 HZ3 LYS A 6 -9.724 -10.211 -1.326 1.00 23.55 H new ATOM 116 N THR A 7 -13.166 -7.018 -7.750 1.00 13.13 N ATOM 117 CA THR A 7 -14.565 -6.614 -7.826 1.00 5.14 C ATOM 118 C THR A 7 -15.486 -7.828 -7.876 1.00 5.43 C ATOM 119 O THR A 7 -15.029 -8.960 -8.034 1.00 51.11 O ATOM 120 CB THR A 7 -14.828 -5.732 -9.061 1.00 33.13 C ATOM 121 OG1 THR A 7 -14.811 -6.533 -10.247 1.00 61.44 O ATOM 122 CG2 THR A 7 -13.786 -4.630 -9.171 1.00 64.14 C ATOM 0 H THR A 7 -12.694 -7.077 -8.653 1.00 13.13 H new ATOM 0 HA THR A 7 -14.777 -6.038 -6.925 1.00 5.14 H new ATOM 0 HB THR A 7 -15.809 -5.271 -8.949 1.00 33.13 H new ATOM 0 HG1 THR A 7 -14.981 -5.965 -11.028 1.00 61.44 H new ATOM 0 HG21 THR A 7 -13.993 -4.020 -10.051 1.00 64.14 H new ATOM 0 HG22 THR A 7 -13.823 -4.004 -8.279 1.00 64.14 H new ATOM 0 HG23 THR A 7 -12.795 -5.074 -9.262 1.00 64.14 H new ATOM 130 N VAL A 8 -16.785 -7.584 -7.740 1.00 74.33 N ATOM 131 CA VAL A 8 -17.771 -8.658 -7.772 1.00 54.11 C ATOM 132 C VAL A 8 -17.829 -9.310 -9.149 1.00 32.43 C ATOM 133 O VAL A 8 -18.427 -10.373 -9.319 1.00 23.13 O ATOM 134 CB VAL A 8 -19.175 -8.142 -7.401 1.00 64.32 C ATOM 135 CG1 VAL A 8 -19.698 -7.199 -8.473 1.00 43.25 C ATOM 136 CG2 VAL A 8 -20.131 -9.306 -7.191 1.00 31.31 C ATOM 0 H VAL A 8 -17.179 -6.653 -7.607 1.00 74.33 H new ATOM 0 HA VAL A 8 -17.457 -9.398 -7.036 1.00 54.11 H new ATOM 0 HB VAL A 8 -19.104 -7.586 -6.466 1.00 64.32 H new ATOM 0 HG11 VAL A 8 -20.690 -6.845 -8.194 1.00 43.25 H new ATOM 0 HG12 VAL A 8 -19.023 -6.348 -8.570 1.00 43.25 H new ATOM 0 HG13 VAL A 8 -19.756 -7.727 -9.425 1.00 43.25 H new ATOM 0 HG21 VAL A 8 -21.118 -8.924 -6.930 1.00 31.31 H new ATOM 0 HG22 VAL A 8 -20.200 -9.891 -8.108 1.00 31.31 H new ATOM 0 HG23 VAL A 8 -19.762 -9.939 -6.384 1.00 31.31 H new ATOM 146 N SER A 9 -17.204 -8.667 -10.129 1.00 43.13 N ATOM 147 CA SER A 9 -17.186 -9.183 -11.493 1.00 54.10 C ATOM 148 C SER A 9 -16.005 -10.125 -11.702 1.00 62.05 C ATOM 149 O SER A 9 -15.676 -10.484 -12.832 1.00 44.53 O ATOM 150 CB SER A 9 -17.118 -8.030 -12.496 1.00 50.13 C ATOM 151 OG SER A 9 -18.413 -7.663 -12.941 1.00 23.22 O ATOM 0 H SER A 9 -16.703 -7.787 -10.004 1.00 43.13 H new ATOM 0 HA SER A 9 -18.107 -9.742 -11.656 1.00 54.10 H new ATOM 0 HB2 SER A 9 -16.632 -7.171 -12.034 1.00 50.13 H new ATOM 0 HB3 SER A 9 -16.506 -8.322 -13.349 1.00 50.13 H new ATOM 0 HG SER A 9 -18.342 -6.923 -13.580 1.00 23.22 H new ATOM 157 N ASN A 10 -15.371 -10.522 -10.604 1.00 4.11 N ATOM 158 CA ASN A 10 -14.225 -11.422 -10.666 1.00 23.01 C ATOM 159 C ASN A 10 -13.033 -10.740 -11.331 1.00 61.31 C ATOM 160 O ASN A 10 -12.256 -11.378 -12.043 1.00 12.23 O ATOM 161 CB ASN A 10 -14.591 -12.695 -11.431 1.00 62.33 C ATOM 162 CG ASN A 10 -14.159 -13.953 -10.702 1.00 1.33 C ATOM 163 OD1 ASN A 10 -14.981 -14.658 -10.117 1.00 13.33 O ATOM 164 ND2 ASN A 10 -12.863 -14.239 -10.733 1.00 64.13 N ATOM 0 H ASN A 10 -15.631 -10.235 -9.660 1.00 4.11 H new ATOM 0 HA ASN A 10 -13.947 -11.687 -9.646 1.00 23.01 H new ATOM 0 HB2 ASN A 10 -15.669 -12.723 -11.590 1.00 62.33 H new ATOM 0 HB3 ASN A 10 -14.124 -12.671 -12.416 1.00 62.33 H new ATOM 0 HD21 ASN A 10 -12.513 -15.072 -10.259 1.00 64.13 H new ATOM 0 HD22 ASN A 10 -12.217 -13.626 -11.230 1.00 64.13 H new ATOM 171 N LYS A 11 -12.894 -9.440 -11.094 1.00 61.32 N ATOM 172 CA LYS A 11 -11.796 -8.671 -11.668 1.00 14.32 C ATOM 173 C LYS A 11 -10.753 -8.337 -10.606 1.00 51.33 C ATOM 174 O LYS A 11 -10.835 -7.301 -9.945 1.00 60.51 O ATOM 175 CB LYS A 11 -12.326 -7.382 -12.301 1.00 11.13 C ATOM 176 CG LYS A 11 -13.097 -7.609 -13.590 1.00 24.43 C ATOM 177 CD LYS A 11 -13.369 -6.302 -14.315 1.00 32.14 C ATOM 178 CE LYS A 11 -13.909 -6.544 -15.716 1.00 2.21 C ATOM 179 NZ LYS A 11 -14.131 -5.269 -16.452 1.00 43.34 N ATOM 0 H LYS A 11 -13.528 -8.897 -10.508 1.00 61.32 H new ATOM 0 HA LYS A 11 -11.322 -9.279 -12.439 1.00 14.32 H new ATOM 0 HB2 LYS A 11 -12.973 -6.875 -11.585 1.00 11.13 H new ATOM 0 HB3 LYS A 11 -11.488 -6.715 -12.502 1.00 11.13 H new ATOM 0 HG2 LYS A 11 -12.531 -8.276 -14.241 1.00 24.43 H new ATOM 0 HG3 LYS A 11 -14.041 -8.106 -13.367 1.00 24.43 H new ATOM 0 HD2 LYS A 11 -14.085 -5.711 -13.745 1.00 32.14 H new ATOM 0 HD3 LYS A 11 -12.450 -5.719 -14.374 1.00 32.14 H new ATOM 0 HE2 LYS A 11 -13.209 -7.168 -16.272 1.00 2.21 H new ATOM 0 HE3 LYS A 11 -14.847 -7.095 -15.654 1.00 2.21 H new ATOM 0 HZ1 LYS A 11 -14.499 -5.476 -17.402 1.00 43.34 H new ATOM 0 HZ2 LYS A 11 -14.818 -4.684 -15.934 1.00 43.34 H new ATOM 0 HZ3 LYS A 11 -13.231 -4.754 -16.534 1.00 43.34 H new ATOM 193 N VAL A 12 -9.772 -9.219 -10.449 1.00 64.33 N ATOM 194 CA VAL A 12 -8.711 -9.017 -9.470 1.00 4.40 C ATOM 195 C VAL A 12 -7.505 -8.328 -10.100 1.00 72.23 C ATOM 196 O VAL A 12 -7.063 -8.701 -11.188 1.00 13.25 O ATOM 197 CB VAL A 12 -8.259 -10.351 -8.848 1.00 24.12 C ATOM 198 CG1 VAL A 12 -7.229 -10.109 -7.755 1.00 64.20 C ATOM 199 CG2 VAL A 12 -9.455 -11.117 -8.304 1.00 70.31 C ATOM 0 H VAL A 12 -9.690 -10.081 -10.988 1.00 64.33 H new ATOM 0 HA VAL A 12 -9.121 -8.380 -8.686 1.00 4.40 H new ATOM 0 HB VAL A 12 -7.793 -10.955 -9.626 1.00 24.12 H new ATOM 0 HG11 VAL A 12 -6.921 -11.063 -7.327 1.00 64.20 H new ATOM 0 HG12 VAL A 12 -6.361 -9.605 -8.179 1.00 64.20 H new ATOM 0 HG13 VAL A 12 -7.666 -9.486 -6.975 1.00 64.20 H new ATOM 0 HG21 VAL A 12 -9.117 -12.057 -7.868 1.00 70.31 H new ATOM 0 HG22 VAL A 12 -9.952 -10.520 -7.539 1.00 70.31 H new ATOM 0 HG23 VAL A 12 -10.154 -11.323 -9.114 1.00 70.31 H new ATOM 209 N ILE A 13 -6.977 -7.323 -9.410 1.00 55.44 N ATOM 210 CA ILE A 13 -5.822 -6.583 -9.902 1.00 63.12 C ATOM 211 C ILE A 13 -4.780 -6.397 -8.804 1.00 13.11 C ATOM 212 O ILE A 13 -5.058 -5.793 -7.768 1.00 51.34 O ATOM 213 CB ILE A 13 -6.228 -5.202 -10.448 1.00 50.43 C ATOM 214 CG1 ILE A 13 -7.407 -5.337 -11.414 1.00 63.45 C ATOM 215 CG2 ILE A 13 -5.046 -4.535 -11.137 1.00 20.55 C ATOM 216 CD1 ILE A 13 -7.075 -6.120 -12.666 1.00 10.21 C ATOM 0 H ILE A 13 -7.331 -7.003 -8.509 1.00 55.44 H new ATOM 0 HA ILE A 13 -5.392 -7.172 -10.712 1.00 63.12 H new ATOM 0 HB ILE A 13 -6.537 -4.575 -9.612 1.00 50.43 H new ATOM 0 HG12 ILE A 13 -8.235 -5.825 -10.899 1.00 63.45 H new ATOM 0 HG13 ILE A 13 -7.750 -4.342 -11.698 1.00 63.45 H new ATOM 0 HG21 ILE A 13 -5.350 -3.560 -11.517 1.00 20.55 H new ATOM 0 HG22 ILE A 13 -4.232 -4.409 -10.423 1.00 20.55 H new ATOM 0 HG23 ILE A 13 -4.708 -5.158 -11.965 1.00 20.55 H new ATOM 0 HD11 ILE A 13 -7.957 -6.176 -13.305 1.00 10.21 H new ATOM 0 HD12 ILE A 13 -6.268 -5.622 -13.204 1.00 10.21 H new ATOM 0 HD13 ILE A 13 -6.761 -7.127 -12.393 1.00 10.21 H new ATOM 228 N GLN A 14 -3.581 -6.919 -9.039 1.00 3.41 N ATOM 229 CA GLN A 14 -2.497 -6.809 -8.069 1.00 51.45 C ATOM 230 C GLN A 14 -1.478 -5.762 -8.508 1.00 72.03 C ATOM 231 O GLN A 14 -0.797 -5.931 -9.520 1.00 72.12 O ATOM 232 CB GLN A 14 -1.809 -8.162 -7.886 1.00 62.34 C ATOM 233 CG GLN A 14 -1.329 -8.782 -9.189 1.00 11.00 C ATOM 234 CD GLN A 14 -1.905 -10.164 -9.425 1.00 32.33 C ATOM 235 OE1 GLN A 14 -3.096 -10.314 -9.701 1.00 63.40 O ATOM 236 NE2 GLN A 14 -1.061 -11.184 -9.317 1.00 14.12 N ATOM 0 H GLN A 14 -3.335 -7.422 -9.892 1.00 3.41 H new ATOM 0 HA GLN A 14 -2.925 -6.496 -7.117 1.00 51.45 H new ATOM 0 HB2 GLN A 14 -0.958 -8.040 -7.216 1.00 62.34 H new ATOM 0 HB3 GLN A 14 -2.501 -8.849 -7.400 1.00 62.34 H new ATOM 0 HG2 GLN A 14 -1.604 -8.131 -10.019 1.00 11.00 H new ATOM 0 HG3 GLN A 14 -0.241 -8.843 -9.179 1.00 11.00 H new ATOM 0 HE21 GLN A 14 -0.082 -11.014 -9.087 1.00 14.12 H new ATOM 0 HE22 GLN A 14 -1.392 -12.138 -9.465 1.00 14.12 H new ATOM 245 N ILE A 15 -1.380 -4.681 -7.741 1.00 63.54 N ATOM 246 CA ILE A 15 -0.443 -3.608 -8.051 1.00 73.23 C ATOM 247 C ILE A 15 0.602 -3.456 -6.952 1.00 22.33 C ATOM 248 O ILE A 15 0.358 -3.802 -5.795 1.00 4.40 O ATOM 249 CB ILE A 15 -1.171 -2.264 -8.242 1.00 24.11 C ATOM 250 CG1 ILE A 15 -1.565 -1.676 -6.886 1.00 4.35 C ATOM 251 CG2 ILE A 15 -2.398 -2.446 -9.123 1.00 25.11 C ATOM 252 CD1 ILE A 15 -2.446 -0.451 -6.991 1.00 73.22 C ATOM 0 H ILE A 15 -1.937 -4.525 -6.901 1.00 63.54 H new ATOM 0 HA ILE A 15 0.052 -3.880 -8.983 1.00 73.23 H new ATOM 0 HB ILE A 15 -0.493 -1.568 -8.736 1.00 24.11 H new ATOM 0 HG12 ILE A 15 -2.085 -2.438 -6.306 1.00 4.35 H new ATOM 0 HG13 ILE A 15 -0.661 -1.417 -6.335 1.00 4.35 H new ATOM 0 HG21 ILE A 15 -2.901 -1.487 -9.248 1.00 25.11 H new ATOM 0 HG22 ILE A 15 -2.093 -2.826 -10.098 1.00 25.11 H new ATOM 0 HG23 ILE A 15 -3.080 -3.155 -8.655 1.00 25.11 H new ATOM 0 HD11 ILE A 15 -2.686 -0.088 -5.991 1.00 73.22 H new ATOM 0 HD12 ILE A 15 -1.921 0.328 -7.544 1.00 73.22 H new ATOM 0 HD13 ILE A 15 -3.367 -0.709 -7.514 1.00 73.22 H new ATOM 264 N THR A 16 1.769 -2.935 -7.320 1.00 33.15 N ATOM 265 CA THR A 16 2.852 -2.736 -6.365 1.00 71.20 C ATOM 266 C THR A 16 3.299 -1.279 -6.337 1.00 30.14 C ATOM 267 O THR A 16 4.484 -0.981 -6.484 1.00 0.41 O ATOM 268 CB THR A 16 4.064 -3.627 -6.697 1.00 51.11 C ATOM 269 OG1 THR A 16 5.121 -3.383 -5.763 1.00 25.31 O ATOM 270 CG2 THR A 16 4.559 -3.362 -8.111 1.00 74.41 C ATOM 0 H THR A 16 1.988 -2.643 -8.273 1.00 33.15 H new ATOM 0 HA THR A 16 2.464 -3.013 -5.385 1.00 71.20 H new ATOM 0 HB THR A 16 3.751 -4.669 -6.628 1.00 51.11 H new ATOM 0 HG1 THR A 16 5.339 -2.428 -5.758 1.00 25.31 H new ATOM 0 HG21 THR A 16 5.415 -4.003 -8.323 1.00 74.41 H new ATOM 0 HG22 THR A 16 3.761 -3.576 -8.822 1.00 74.41 H new ATOM 0 HG23 THR A 16 4.856 -2.317 -8.203 1.00 74.41 H new ATOM 278 N SER A 17 2.343 -0.375 -6.146 1.00 23.34 N ATOM 279 CA SER A 17 2.639 1.052 -6.101 1.00 31.01 C ATOM 280 C SER A 17 1.402 1.851 -5.701 1.00 60.32 C ATOM 281 O SER A 17 0.620 2.275 -6.553 1.00 61.33 O ATOM 282 CB SER A 17 3.152 1.531 -7.460 1.00 72.14 C ATOM 283 OG SER A 17 2.890 2.911 -7.647 1.00 33.00 O ATOM 0 H SER A 17 1.357 -0.606 -6.020 1.00 23.34 H new ATOM 0 HA SER A 17 3.413 1.214 -5.351 1.00 31.01 H new ATOM 0 HB2 SER A 17 4.224 1.348 -7.532 1.00 72.14 H new ATOM 0 HB3 SER A 17 2.676 0.956 -8.255 1.00 72.14 H new ATOM 0 HG SER A 17 1.930 3.079 -7.544 1.00 33.00 H new ATOM 289 N LEU A 18 1.231 2.052 -4.399 1.00 41.13 N ATOM 290 CA LEU A 18 0.089 2.800 -3.884 1.00 44.12 C ATOM 291 C LEU A 18 0.512 4.192 -3.427 1.00 2.51 C ATOM 292 O LEU A 18 1.661 4.409 -3.040 1.00 0.13 O ATOM 293 CB LEU A 18 -0.559 2.044 -2.723 1.00 5.21 C ATOM 294 CG LEU A 18 -1.777 1.190 -3.075 1.00 13.35 C ATOM 295 CD1 LEU A 18 -2.299 0.471 -1.841 1.00 21.35 C ATOM 296 CD2 LEU A 18 -2.869 2.050 -3.695 1.00 35.53 C ATOM 0 H LEU A 18 1.868 1.708 -3.681 1.00 41.13 H new ATOM 0 HA LEU A 18 -0.637 2.907 -4.690 1.00 44.12 H new ATOM 0 HB2 LEU A 18 0.194 1.398 -2.271 1.00 5.21 H new ATOM 0 HB3 LEU A 18 -0.855 2.768 -1.964 1.00 5.21 H new ATOM 0 HG LEU A 18 -1.473 0.440 -3.806 1.00 13.35 H new ATOM 0 HD11 LEU A 18 -3.166 -0.132 -2.111 1.00 21.35 H new ATOM 0 HD12 LEU A 18 -1.519 -0.175 -1.439 1.00 21.35 H new ATOM 0 HD13 LEU A 18 -2.587 1.204 -1.087 1.00 21.35 H new ATOM 0 HD21 LEU A 18 -3.729 1.426 -3.940 1.00 35.53 H new ATOM 0 HD22 LEU A 18 -3.170 2.822 -2.987 1.00 35.53 H new ATOM 0 HD23 LEU A 18 -2.491 2.519 -4.603 1.00 35.53 H new ATOM 308 N THR A 19 -0.425 5.135 -3.472 1.00 62.40 N ATOM 309 CA THR A 19 -0.150 6.506 -3.062 1.00 33.24 C ATOM 310 C THR A 19 -0.249 6.657 -1.548 1.00 34.00 C ATOM 311 O THR A 19 -0.574 5.704 -0.839 1.00 60.03 O ATOM 312 CB THR A 19 -1.121 7.497 -3.730 1.00 15.32 C ATOM 313 OG1 THR A 19 -1.710 6.900 -4.891 1.00 24.13 O ATOM 314 CG2 THR A 19 -0.402 8.779 -4.122 1.00 64.31 C ATOM 0 H THR A 19 -1.381 4.973 -3.789 1.00 62.40 H new ATOM 0 HA THR A 19 0.867 6.734 -3.381 1.00 33.24 H new ATOM 0 HB THR A 19 -1.904 7.743 -3.012 1.00 15.32 H new ATOM 0 HG1 THR A 19 -2.327 7.536 -5.309 1.00 24.13 H new ATOM 0 HG21 THR A 19 -1.108 9.463 -4.592 1.00 64.31 H new ATOM 0 HG22 THR A 19 0.019 9.247 -3.232 1.00 64.31 H new ATOM 0 HG23 THR A 19 0.399 8.547 -4.823 1.00 64.31 H new ATOM 322 N ASP A 20 0.031 7.860 -1.059 1.00 25.43 N ATOM 323 CA ASP A 20 -0.028 8.136 0.372 1.00 61.00 C ATOM 324 C ASP A 20 -0.958 9.310 0.660 1.00 10.24 C ATOM 325 O ASP A 20 -1.130 9.711 1.812 1.00 63.41 O ATOM 326 CB ASP A 20 1.371 8.432 0.914 1.00 2.43 C ATOM 327 CG ASP A 20 1.770 9.883 0.725 1.00 63.41 C ATOM 328 OD1 ASP A 20 1.923 10.309 -0.439 1.00 44.11 O ATOM 329 OD2 ASP A 20 1.929 10.591 1.740 1.00 13.45 O ATOM 0 H ASP A 20 0.301 8.659 -1.632 1.00 25.43 H new ATOM 0 HA ASP A 20 -0.423 7.252 0.872 1.00 61.00 H new ATOM 0 HB2 ASP A 20 1.407 8.184 1.975 1.00 2.43 H new ATOM 0 HB3 ASP A 20 2.095 7.791 0.412 1.00 2.43 H new ATOM 334 N ASP A 21 -1.555 9.858 -0.392 1.00 43.04 N ATOM 335 CA ASP A 21 -2.468 10.987 -0.253 1.00 24.45 C ATOM 336 C ASP A 21 -3.917 10.512 -0.215 1.00 22.14 C ATOM 337 O ASP A 21 -4.681 10.891 0.672 1.00 71.41 O ATOM 338 CB ASP A 21 -2.271 11.974 -1.404 1.00 14.43 C ATOM 339 CG ASP A 21 -1.699 13.299 -0.939 1.00 12.13 C ATOM 340 OD1 ASP A 21 -0.835 13.288 -0.037 1.00 54.13 O ATOM 341 OD2 ASP A 21 -2.116 14.347 -1.476 1.00 1.02 O ATOM 0 H ASP A 21 -1.423 9.539 -1.352 1.00 43.04 H new ATOM 0 HA ASP A 21 -2.245 11.490 0.688 1.00 24.45 H new ATOM 0 HB2 ASP A 21 -1.604 11.534 -2.146 1.00 14.43 H new ATOM 0 HB3 ASP A 21 -3.227 12.148 -1.898 1.00 14.43 H new ATOM 346 N ASN A 22 -4.288 9.681 -1.184 1.00 4.24 N ATOM 347 CA ASN A 22 -5.646 9.156 -1.262 1.00 21.12 C ATOM 348 C ASN A 22 -5.653 7.639 -1.101 1.00 65.21 C ATOM 349 O ASN A 22 -6.487 7.082 -0.387 1.00 21.04 O ATOM 350 CB ASN A 22 -6.288 9.542 -2.596 1.00 30.50 C ATOM 351 CG ASN A 22 -6.753 10.985 -2.618 1.00 70.21 C ATOM 352 OD1 ASN A 22 -7.462 11.434 -1.717 1.00 44.22 O ATOM 353 ND2 ASN A 22 -6.355 11.719 -3.651 1.00 32.41 N ATOM 0 H ASN A 22 -3.667 9.357 -1.926 1.00 4.24 H new ATOM 0 HA ASN A 22 -6.225 9.592 -0.448 1.00 21.12 H new ATOM 0 HB2 ASN A 22 -5.571 9.382 -3.401 1.00 30.50 H new ATOM 0 HB3 ASN A 22 -7.137 8.887 -2.791 1.00 30.50 H new ATOM 0 HD21 ASN A 22 -6.637 12.697 -3.720 1.00 32.41 H new ATOM 0 HD22 ASN A 22 -5.768 11.305 -4.375 1.00 32.41 H new ATOM 360 N THR A 23 -4.716 6.974 -1.771 1.00 3.05 N ATOM 361 CA THR A 23 -4.613 5.522 -1.703 1.00 73.21 C ATOM 362 C THR A 23 -5.885 4.856 -2.217 1.00 43.45 C ATOM 363 O THR A 23 -5.951 4.433 -3.372 1.00 30.43 O ATOM 364 CB THR A 23 -4.344 5.044 -0.264 1.00 24.12 C ATOM 365 OG1 THR A 23 -3.063 5.510 0.175 1.00 0.45 O ATOM 366 CG2 THR A 23 -4.392 3.526 -0.180 1.00 31.24 C ATOM 0 H THR A 23 -4.018 7.419 -2.367 1.00 3.05 H new ATOM 0 HA THR A 23 -3.773 5.235 -2.336 1.00 73.21 H new ATOM 0 HB THR A 23 -5.121 5.453 0.382 1.00 24.12 H new ATOM 0 HG1 THR A 23 -3.047 5.550 1.154 1.00 0.45 H new ATOM 0 HG21 THR A 23 -4.199 3.212 0.846 1.00 31.24 H new ATOM 0 HG22 THR A 23 -5.377 3.176 -0.488 1.00 31.24 H new ATOM 0 HG23 THR A 23 -3.634 3.101 -0.838 1.00 31.24 H new ATOM 374 N ILE A 24 -6.891 4.769 -1.355 1.00 35.41 N ATOM 375 CA ILE A 24 -8.162 4.156 -1.724 1.00 4.11 C ATOM 376 C ILE A 24 -8.979 5.082 -2.618 1.00 71.02 C ATOM 377 O ILE A 24 -9.521 4.657 -3.638 1.00 44.44 O ATOM 378 CB ILE A 24 -8.995 3.795 -0.480 1.00 22.10 C ATOM 379 CG1 ILE A 24 -8.136 3.033 0.532 1.00 15.42 C ATOM 380 CG2 ILE A 24 -10.210 2.971 -0.878 1.00 15.13 C ATOM 381 CD1 ILE A 24 -7.582 3.909 1.634 1.00 42.01 C ATOM 0 H ILE A 24 -6.852 5.115 -0.396 1.00 35.41 H new ATOM 0 HA ILE A 24 -7.926 3.243 -2.270 1.00 4.11 H new ATOM 0 HB ILE A 24 -9.342 4.717 -0.013 1.00 22.10 H new ATOM 0 HG12 ILE A 24 -8.733 2.237 0.977 1.00 15.42 H new ATOM 0 HG13 ILE A 24 -7.308 2.556 0.008 1.00 15.42 H new ATOM 0 HG21 ILE A 24 -10.789 2.723 0.012 1.00 15.13 H new ATOM 0 HG22 ILE A 24 -10.830 3.546 -1.566 1.00 15.13 H new ATOM 0 HG23 ILE A 24 -9.883 2.052 -1.365 1.00 15.13 H new ATOM 0 HD11 ILE A 24 -6.984 3.303 2.314 1.00 42.01 H new ATOM 0 HD12 ILE A 24 -6.958 4.690 1.199 1.00 42.01 H new ATOM 0 HD13 ILE A 24 -8.405 4.366 2.184 1.00 42.01 H new ATOM 393 N ALA A 25 -9.062 6.350 -2.229 1.00 35.01 N ATOM 394 CA ALA A 25 -9.810 7.337 -2.997 1.00 54.32 C ATOM 395 C ALA A 25 -9.276 7.444 -4.422 1.00 35.24 C ATOM 396 O ALA A 25 -10.044 7.593 -5.372 1.00 1.43 O ATOM 397 CB ALA A 25 -9.757 8.693 -2.309 1.00 4.04 C ATOM 0 H ALA A 25 -8.620 6.718 -1.386 1.00 35.01 H new ATOM 0 HA ALA A 25 -10.848 7.009 -3.049 1.00 54.32 H new ATOM 0 HB1 ALA A 25 -10.320 9.420 -2.894 1.00 4.04 H new ATOM 0 HB2 ALA A 25 -10.193 8.613 -1.313 1.00 4.04 H new ATOM 0 HB3 ALA A 25 -8.720 9.019 -2.226 1.00 4.04 H new ATOM 403 N GLU A 26 -7.957 7.366 -4.561 1.00 43.44 N ATOM 404 CA GLU A 26 -7.321 7.456 -5.871 1.00 34.11 C ATOM 405 C GLU A 26 -7.638 6.225 -6.715 1.00 34.43 C ATOM 406 O GLU A 26 -7.878 6.328 -7.918 1.00 73.25 O ATOM 407 CB GLU A 26 -5.806 7.607 -5.718 1.00 74.31 C ATOM 408 CG GLU A 26 -5.063 7.651 -7.042 1.00 44.13 C ATOM 409 CD GLU A 26 -4.365 8.977 -7.275 1.00 63.02 C ATOM 410 OE1 GLU A 26 -5.049 10.021 -7.242 1.00 34.00 O ATOM 411 OE2 GLU A 26 -3.135 8.971 -7.491 1.00 22.01 O ATOM 0 H GLU A 26 -7.308 7.241 -3.784 1.00 43.44 H new ATOM 0 HA GLU A 26 -7.717 8.335 -6.379 1.00 34.11 H new ATOM 0 HB2 GLU A 26 -5.595 8.520 -5.162 1.00 74.31 H new ATOM 0 HB3 GLU A 26 -5.425 6.776 -5.124 1.00 74.31 H new ATOM 0 HG2 GLU A 26 -4.327 6.848 -7.068 1.00 44.13 H new ATOM 0 HG3 GLU A 26 -5.765 7.466 -7.855 1.00 44.13 H new ATOM 418 N LEU A 27 -7.637 5.060 -6.075 1.00 50.32 N ATOM 419 CA LEU A 27 -7.924 3.808 -6.766 1.00 21.32 C ATOM 420 C LEU A 27 -9.372 3.769 -7.244 1.00 22.42 C ATOM 421 O LEU A 27 -9.646 3.459 -8.403 1.00 53.24 O ATOM 422 CB LEU A 27 -7.647 2.619 -5.844 1.00 1.03 C ATOM 423 CG LEU A 27 -6.548 1.658 -6.299 1.00 2.43 C ATOM 424 CD1 LEU A 27 -6.930 0.994 -7.612 1.00 44.14 C ATOM 425 CD2 LEU A 27 -5.221 2.392 -6.436 1.00 35.24 C ATOM 0 H LEU A 27 -7.441 4.957 -5.079 1.00 50.32 H new ATOM 0 HA LEU A 27 -7.272 3.744 -7.637 1.00 21.32 H new ATOM 0 HB2 LEU A 27 -7.381 3.003 -4.859 1.00 1.03 H new ATOM 0 HB3 LEU A 27 -8.571 2.053 -5.727 1.00 1.03 H new ATOM 0 HG LEU A 27 -6.434 0.881 -5.543 1.00 2.43 H new ATOM 0 HD11 LEU A 27 -6.136 0.314 -7.920 1.00 44.14 H new ATOM 0 HD12 LEU A 27 -7.856 0.435 -7.481 1.00 44.14 H new ATOM 0 HD13 LEU A 27 -7.072 1.757 -8.378 1.00 44.14 H new ATOM 0 HD21 LEU A 27 -4.450 1.693 -6.761 1.00 35.24 H new ATOM 0 HD22 LEU A 27 -5.321 3.190 -7.172 1.00 35.24 H new ATOM 0 HD23 LEU A 27 -4.941 2.820 -5.473 1.00 35.24 H new ATOM 437 N LYS A 28 -10.296 4.086 -6.343 1.00 45.30 N ATOM 438 CA LYS A 28 -11.716 4.091 -6.672 1.00 40.41 C ATOM 439 C LYS A 28 -12.032 5.170 -7.704 1.00 25.50 C ATOM 440 O LYS A 28 -12.830 4.956 -8.615 1.00 61.42 O ATOM 441 CB LYS A 28 -12.552 4.318 -5.410 1.00 60.24 C ATOM 442 CG LYS A 28 -12.330 5.677 -4.769 1.00 60.24 C ATOM 443 CD LYS A 28 -13.095 5.809 -3.463 1.00 23.30 C ATOM 444 CE LYS A 28 -14.598 5.792 -3.693 1.00 71.00 C ATOM 445 NZ LYS A 28 -15.023 6.843 -4.658 1.00 53.40 N ATOM 0 H LYS A 28 -10.086 4.343 -5.378 1.00 45.30 H new ATOM 0 HA LYS A 28 -11.968 3.120 -7.098 1.00 40.41 H new ATOM 0 HB2 LYS A 28 -13.608 4.212 -5.660 1.00 60.24 H new ATOM 0 HB3 LYS A 28 -12.316 3.540 -4.684 1.00 60.24 H new ATOM 0 HG2 LYS A 28 -11.266 5.824 -4.585 1.00 60.24 H new ATOM 0 HG3 LYS A 28 -12.646 6.461 -5.457 1.00 60.24 H new ATOM 0 HD2 LYS A 28 -12.819 4.993 -2.795 1.00 23.30 H new ATOM 0 HD3 LYS A 28 -12.812 6.737 -2.967 1.00 23.30 H new ATOM 0 HE2 LYS A 28 -14.897 4.813 -4.067 1.00 71.00 H new ATOM 0 HE3 LYS A 28 -15.112 5.941 -2.744 1.00 71.00 H new ATOM 0 HZ1 LYS A 28 -16.046 7.008 -4.564 1.00 53.40 H new ATOM 0 HZ2 LYS A 28 -14.510 7.725 -4.458 1.00 53.40 H new ATOM 0 HZ3 LYS A 28 -14.811 6.531 -5.627 1.00 53.40 H new ATOM 459 N GLY A 29 -11.398 6.329 -7.555 1.00 22.00 N ATOM 460 CA GLY A 29 -11.624 7.422 -8.482 1.00 43.31 C ATOM 461 C GLY A 29 -11.094 7.124 -9.871 1.00 35.42 C ATOM 462 O GLY A 29 -11.669 7.558 -10.869 1.00 41.14 O ATOM 0 H GLY A 29 -10.732 6.530 -6.809 1.00 22.00 H new ATOM 0 HA2 GLY A 29 -12.693 7.629 -8.541 1.00 43.31 H new ATOM 0 HA3 GLY A 29 -11.145 8.323 -8.100 1.00 43.31 H new ATOM 466 N LYS A 30 -9.995 6.381 -9.936 1.00 23.10 N ATOM 467 CA LYS A 30 -9.386 6.024 -11.212 1.00 53.21 C ATOM 468 C LYS A 30 -10.239 4.999 -11.954 1.00 3.43 C ATOM 469 O LYS A 30 -10.324 5.020 -13.182 1.00 51.23 O ATOM 470 CB LYS A 30 -7.978 5.468 -10.991 1.00 61.33 C ATOM 471 CG LYS A 30 -6.917 6.543 -10.832 1.00 12.12 C ATOM 472 CD LYS A 30 -6.201 6.818 -12.143 1.00 45.32 C ATOM 473 CE LYS A 30 -5.167 7.924 -11.992 1.00 61.21 C ATOM 474 NZ LYS A 30 -3.909 7.426 -11.370 1.00 31.23 N ATOM 0 H LYS A 30 -9.507 6.014 -9.119 1.00 23.10 H new ATOM 0 HA LYS A 30 -9.322 6.926 -11.821 1.00 53.21 H new ATOM 0 HB2 LYS A 30 -7.981 4.838 -10.102 1.00 61.33 H new ATOM 0 HB3 LYS A 30 -7.712 4.829 -11.833 1.00 61.33 H new ATOM 0 HG2 LYS A 30 -7.379 7.461 -10.469 1.00 12.12 H new ATOM 0 HG3 LYS A 30 -6.193 6.232 -10.079 1.00 12.12 H new ATOM 0 HD2 LYS A 30 -5.713 5.907 -12.490 1.00 45.32 H new ATOM 0 HD3 LYS A 30 -6.929 7.100 -12.904 1.00 45.32 H new ATOM 0 HE2 LYS A 30 -4.945 8.349 -12.971 1.00 61.21 H new ATOM 0 HE3 LYS A 30 -5.581 8.727 -11.382 1.00 61.21 H new ATOM 0 HZ1 LYS A 30 -3.230 8.209 -11.285 1.00 31.23 H new ATOM 0 HZ2 LYS A 30 -4.117 7.043 -10.426 1.00 31.23 H new ATOM 0 HZ3 LYS A 30 -3.500 6.677 -11.965 1.00 31.23 H new ATOM 488 N LEU A 31 -10.869 4.105 -11.200 1.00 61.14 N ATOM 489 CA LEU A 31 -11.717 3.072 -11.787 1.00 3.45 C ATOM 490 C LEU A 31 -12.986 3.680 -12.376 1.00 21.45 C ATOM 491 O LEU A 31 -13.404 3.320 -13.476 1.00 11.15 O ATOM 492 CB LEU A 31 -12.080 2.025 -10.733 1.00 73.40 C ATOM 493 CG LEU A 31 -12.390 0.623 -11.260 1.00 32.15 C ATOM 494 CD1 LEU A 31 -13.611 0.651 -12.165 1.00 74.14 C ATOM 495 CD2 LEU A 31 -11.188 0.053 -11.999 1.00 14.11 C ATOM 0 H LEU A 31 -10.809 4.074 -10.182 1.00 61.14 H new ATOM 0 HA LEU A 31 -11.160 2.591 -12.591 1.00 3.45 H new ATOM 0 HB2 LEU A 31 -11.255 1.951 -10.024 1.00 73.40 H new ATOM 0 HB3 LEU A 31 -12.947 2.383 -10.178 1.00 73.40 H new ATOM 0 HG LEU A 31 -12.608 -0.024 -10.410 1.00 32.15 H new ATOM 0 HD11 LEU A 31 -13.816 -0.355 -12.530 1.00 74.14 H new ATOM 0 HD12 LEU A 31 -14.471 1.016 -11.604 1.00 74.14 H new ATOM 0 HD13 LEU A 31 -13.422 1.312 -13.010 1.00 74.14 H new ATOM 0 HD21 LEU A 31 -11.427 -0.945 -12.367 1.00 14.11 H new ATOM 0 HD22 LEU A 31 -10.938 0.700 -12.840 1.00 14.11 H new ATOM 0 HD23 LEU A 31 -10.337 -0.005 -11.320 1.00 14.11 H new ATOM 507 N GLU A 32 -13.592 4.603 -11.636 1.00 54.02 N ATOM 508 CA GLU A 32 -14.813 5.261 -12.087 1.00 32.11 C ATOM 509 C GLU A 32 -14.534 6.163 -13.286 1.00 34.03 C ATOM 510 O GLU A 32 -15.318 6.213 -14.233 1.00 13.02 O ATOM 511 CB GLU A 32 -15.427 6.080 -10.950 1.00 11.41 C ATOM 512 CG GLU A 32 -14.479 7.112 -10.363 1.00 2.24 C ATOM 513 CD GLU A 32 -15.085 7.862 -9.192 1.00 24.42 C ATOM 514 OE1 GLU A 32 -16.073 7.363 -8.615 1.00 33.21 O ATOM 515 OE2 GLU A 32 -14.569 8.947 -8.853 1.00 11.44 O ATOM 0 H GLU A 32 -13.258 4.912 -10.723 1.00 54.02 H new ATOM 0 HA GLU A 32 -15.520 4.489 -12.392 1.00 32.11 H new ATOM 0 HB2 GLU A 32 -16.319 6.587 -11.319 1.00 11.41 H new ATOM 0 HB3 GLU A 32 -15.749 5.403 -10.159 1.00 11.41 H new ATOM 0 HG2 GLU A 32 -13.564 6.616 -10.038 1.00 2.24 H new ATOM 0 HG3 GLU A 32 -14.197 7.824 -11.139 1.00 2.24 H new ATOM 522 N GLU A 33 -13.412 6.874 -13.236 1.00 13.15 N ATOM 523 CA GLU A 33 -13.031 7.775 -14.316 1.00 41.45 C ATOM 524 C GLU A 33 -12.675 6.993 -15.577 1.00 75.15 C ATOM 525 O GLU A 33 -12.936 7.442 -16.694 1.00 22.04 O ATOM 526 CB GLU A 33 -11.845 8.645 -13.891 1.00 75.54 C ATOM 527 CG GLU A 33 -11.674 9.896 -14.737 1.00 20.55 C ATOM 528 CD GLU A 33 -12.482 11.068 -14.214 1.00 62.32 C ATOM 529 OE1 GLU A 33 -12.489 11.281 -12.984 1.00 2.14 O ATOM 530 OE2 GLU A 33 -13.107 11.771 -15.035 1.00 44.10 O ATOM 0 H GLU A 33 -12.752 6.843 -12.459 1.00 13.15 H new ATOM 0 HA GLU A 33 -13.884 8.418 -14.536 1.00 41.45 H new ATOM 0 HB2 GLU A 33 -11.974 8.936 -12.849 1.00 75.54 H new ATOM 0 HB3 GLU A 33 -10.932 8.052 -13.946 1.00 75.54 H new ATOM 0 HG2 GLU A 33 -10.619 10.170 -14.765 1.00 20.55 H new ATOM 0 HG3 GLU A 33 -11.975 9.681 -15.762 1.00 20.55 H new ATOM 537 N SER A 34 -12.079 5.820 -15.390 1.00 44.05 N ATOM 538 CA SER A 34 -11.683 4.976 -16.512 1.00 40.20 C ATOM 539 C SER A 34 -12.904 4.513 -17.301 1.00 11.32 C ATOM 540 O SER A 34 -12.909 4.545 -18.531 1.00 34.51 O ATOM 541 CB SER A 34 -10.895 3.764 -16.012 1.00 61.14 C ATOM 542 OG SER A 34 -11.754 2.807 -15.418 1.00 32.23 O ATOM 0 H SER A 34 -11.860 5.432 -14.472 1.00 44.05 H new ATOM 0 HA SER A 34 -11.048 5.566 -17.173 1.00 40.20 H new ATOM 0 HB2 SER A 34 -10.357 3.308 -16.843 1.00 61.14 H new ATOM 0 HB3 SER A 34 -10.148 4.086 -15.287 1.00 61.14 H new ATOM 0 HG SER A 34 -12.324 3.247 -14.753 1.00 32.23 H new ATOM 548 N GLU A 35 -13.937 4.084 -16.582 1.00 51.24 N ATOM 549 CA GLU A 35 -15.164 3.614 -17.215 1.00 22.10 C ATOM 550 C GLU A 35 -16.037 4.788 -17.648 1.00 73.21 C ATOM 551 O GLU A 35 -17.049 4.607 -18.325 1.00 25.30 O ATOM 552 CB GLU A 35 -15.943 2.710 -16.258 1.00 34.13 C ATOM 553 CG GLU A 35 -15.412 1.288 -16.195 1.00 71.21 C ATOM 554 CD GLU A 35 -16.021 0.390 -17.255 1.00 41.40 C ATOM 555 OE1 GLU A 35 -17.242 0.498 -17.492 1.00 53.25 O ATOM 556 OE2 GLU A 35 -15.277 -0.419 -17.846 1.00 61.35 O ATOM 0 H GLU A 35 -13.949 4.052 -15.563 1.00 51.24 H new ATOM 0 HA GLU A 35 -14.890 3.042 -18.101 1.00 22.10 H new ATOM 0 HB2 GLU A 35 -15.915 3.144 -15.258 1.00 34.13 H new ATOM 0 HB3 GLU A 35 -16.988 2.685 -16.565 1.00 34.13 H new ATOM 0 HG2 GLU A 35 -14.329 1.303 -16.316 1.00 71.21 H new ATOM 0 HG3 GLU A 35 -15.617 0.871 -15.209 1.00 71.21 H new ATOM 563 N GLY A 36 -15.639 5.993 -17.251 1.00 64.34 N ATOM 564 CA GLY A 36 -16.396 7.179 -17.607 1.00 23.25 C ATOM 565 C GLY A 36 -17.441 7.532 -16.567 1.00 43.50 C ATOM 566 O GLY A 36 -17.613 8.702 -16.224 1.00 51.50 O ATOM 0 H GLY A 36 -14.806 6.169 -16.689 1.00 64.34 H new ATOM 0 HA2 GLY A 36 -15.713 8.019 -17.731 1.00 23.25 H new ATOM 0 HA3 GLY A 36 -16.884 7.020 -18.569 1.00 23.25 H new ATOM 570 N ILE A 37 -18.141 6.520 -16.066 1.00 5.32 N ATOM 571 CA ILE A 37 -19.174 6.731 -15.060 1.00 53.00 C ATOM 572 C ILE A 37 -19.120 5.654 -13.982 1.00 74.43 C ATOM 573 O ILE A 37 -18.642 4.541 -14.205 1.00 1.22 O ATOM 574 CB ILE A 37 -20.579 6.741 -15.690 1.00 74.15 C ATOM 575 CG1 ILE A 37 -20.742 5.557 -16.646 1.00 22.00 C ATOM 576 CG2 ILE A 37 -20.824 8.054 -16.419 1.00 22.00 C ATOM 577 CD1 ILE A 37 -22.175 5.308 -17.062 1.00 2.14 C ATOM 0 H ILE A 37 -18.012 5.546 -16.340 1.00 5.32 H new ATOM 0 HA ILE A 37 -18.980 7.704 -14.608 1.00 53.00 H new ATOM 0 HB ILE A 37 -21.318 6.646 -14.894 1.00 74.15 H new ATOM 0 HG12 ILE A 37 -20.139 5.734 -17.537 1.00 22.00 H new ATOM 0 HG13 ILE A 37 -20.349 4.659 -16.169 1.00 22.00 H new ATOM 0 HG21 ILE A 37 -21.821 8.045 -16.859 1.00 22.00 H new ATOM 0 HG22 ILE A 37 -20.745 8.882 -15.714 1.00 22.00 H new ATOM 0 HG23 ILE A 37 -20.081 8.177 -17.207 1.00 22.00 H new ATOM 0 HD11 ILE A 37 -22.214 4.455 -17.739 1.00 2.14 H new ATOM 0 HD12 ILE A 37 -22.779 5.099 -16.179 1.00 2.14 H new ATOM 0 HD13 ILE A 37 -22.566 6.191 -17.568 1.00 2.14 H new ATOM 589 N PRO A 38 -19.624 5.988 -12.785 1.00 54.42 N ATOM 590 CA PRO A 38 -19.648 5.062 -11.649 1.00 44.50 C ATOM 591 C PRO A 38 -20.635 3.918 -11.854 1.00 5.22 C ATOM 592 O PRO A 38 -21.740 4.121 -12.355 1.00 24.10 O ATOM 593 CB PRO A 38 -20.089 5.947 -10.480 1.00 30.51 C ATOM 594 CG PRO A 38 -20.857 7.056 -11.112 1.00 64.44 C ATOM 595 CD PRO A 38 -20.211 7.297 -12.449 1.00 21.41 C ATOM 0 HA PRO A 38 -18.683 4.579 -11.496 1.00 44.50 H new ATOM 0 HB2 PRO A 38 -20.705 5.391 -9.773 1.00 30.51 H new ATOM 0 HB3 PRO A 38 -19.231 6.326 -9.925 1.00 30.51 H new ATOM 0 HG2 PRO A 38 -21.907 6.787 -11.229 1.00 64.44 H new ATOM 0 HG3 PRO A 38 -20.825 7.954 -10.495 1.00 64.44 H new ATOM 0 HD2 PRO A 38 -20.939 7.615 -13.196 1.00 21.41 H new ATOM 0 HD3 PRO A 38 -19.451 8.076 -12.393 1.00 21.41 H new ATOM 603 N GLY A 39 -20.228 2.714 -11.462 1.00 2.40 N ATOM 604 CA GLY A 39 -21.089 1.556 -11.611 1.00 23.32 C ATOM 605 C GLY A 39 -22.387 1.695 -10.841 1.00 1.23 C ATOM 606 O GLY A 39 -23.463 1.425 -11.372 1.00 12.32 O ATOM 0 H GLY A 39 -19.318 2.521 -11.044 1.00 2.40 H new ATOM 0 HA2 GLY A 39 -21.311 1.406 -12.668 1.00 23.32 H new ATOM 0 HA3 GLY A 39 -20.560 0.667 -11.267 1.00 23.32 H new ATOM 610 N ASN A 40 -22.285 2.117 -9.584 1.00 75.33 N ATOM 611 CA ASN A 40 -23.461 2.289 -8.739 1.00 12.22 C ATOM 612 C ASN A 40 -23.058 2.662 -7.315 1.00 64.53 C ATOM 613 O ASN A 40 -23.265 3.792 -6.877 1.00 3.55 O ATOM 614 CB ASN A 40 -24.298 1.008 -8.725 1.00 43.21 C ATOM 615 CG ASN A 40 -25.741 1.256 -9.121 1.00 65.32 C ATOM 616 OD1 ASN A 40 -26.666 0.904 -8.390 1.00 21.45 O ATOM 617 ND2 ASN A 40 -25.938 1.864 -10.285 1.00 14.11 N ATOM 0 H ASN A 40 -21.401 2.346 -9.129 1.00 75.33 H new ATOM 0 HA ASN A 40 -24.059 3.101 -9.153 1.00 12.22 H new ATOM 0 HB2 ASN A 40 -23.857 0.281 -9.407 1.00 43.21 H new ATOM 0 HB3 ASN A 40 -24.268 0.568 -7.728 1.00 43.21 H new ATOM 0 HD21 ASN A 40 -26.887 2.057 -10.605 1.00 14.11 H new ATOM 0 HD22 ASN A 40 -25.140 2.138 -10.859 1.00 14.11 H new ATOM 624 N MET A 41 -22.480 1.702 -6.600 1.00 11.02 N ATOM 625 CA MET A 41 -22.046 1.930 -5.226 1.00 63.24 C ATOM 626 C MET A 41 -20.527 2.055 -5.150 1.00 53.22 C ATOM 627 O MET A 41 -20.001 2.923 -4.453 1.00 54.31 O ATOM 628 CB MET A 41 -22.521 0.790 -4.323 1.00 0.41 C ATOM 629 CG MET A 41 -23.872 1.051 -3.677 1.00 20.44 C ATOM 630 SD MET A 41 -24.487 -0.373 -2.756 1.00 11.40 S ATOM 631 CE MET A 41 -26.231 0.023 -2.647 1.00 63.41 C ATOM 0 H MET A 41 -22.301 0.760 -6.948 1.00 11.02 H new ATOM 0 HA MET A 41 -22.488 2.865 -4.882 1.00 63.24 H new ATOM 0 HB2 MET A 41 -22.579 -0.127 -4.909 1.00 0.41 H new ATOM 0 HB3 MET A 41 -21.780 0.623 -3.542 1.00 0.41 H new ATOM 0 HG2 MET A 41 -23.790 1.906 -3.006 1.00 20.44 H new ATOM 0 HG3 MET A 41 -24.594 1.319 -4.448 1.00 20.44 H new ATOM 0 HE1 MET A 41 -26.750 -0.766 -2.103 1.00 63.41 H new ATOM 0 HE2 MET A 41 -26.357 0.970 -2.122 1.00 63.41 H new ATOM 0 HE3 MET A 41 -26.649 0.107 -3.650 1.00 63.41 H new ATOM 641 N ILE A 42 -19.829 1.184 -5.870 1.00 73.34 N ATOM 642 CA ILE A 42 -18.372 1.198 -5.884 1.00 41.41 C ATOM 643 C ILE A 42 -17.809 1.267 -4.468 1.00 75.43 C ATOM 644 O ILE A 42 -17.038 2.167 -4.139 1.00 2.52 O ATOM 645 CB ILE A 42 -17.829 2.388 -6.698 1.00 65.41 C ATOM 646 CG1 ILE A 42 -18.568 2.500 -8.033 1.00 0.42 C ATOM 647 CG2 ILE A 42 -16.332 2.234 -6.927 1.00 33.54 C ATOM 648 CD1 ILE A 42 -19.549 3.651 -8.085 1.00 30.42 C ATOM 0 H ILE A 42 -20.249 0.459 -6.452 1.00 73.34 H new ATOM 0 HA ILE A 42 -18.052 0.269 -6.355 1.00 41.41 H new ATOM 0 HB ILE A 42 -17.998 3.304 -6.132 1.00 65.41 H new ATOM 0 HG12 ILE A 42 -17.839 2.618 -8.834 1.00 0.42 H new ATOM 0 HG13 ILE A 42 -19.102 1.569 -8.223 1.00 0.42 H new ATOM 0 HG21 ILE A 42 -15.963 3.082 -7.503 1.00 33.54 H new ATOM 0 HG22 ILE A 42 -15.819 2.197 -5.966 1.00 33.54 H new ATOM 0 HG23 ILE A 42 -16.141 1.312 -7.476 1.00 33.54 H new ATOM 0 HD11 ILE A 42 -20.036 3.670 -9.060 1.00 30.42 H new ATOM 0 HD12 ILE A 42 -20.301 3.524 -7.306 1.00 30.42 H new ATOM 0 HD13 ILE A 42 -19.018 4.589 -7.927 1.00 30.42 H new ATOM 660 N ARG A 43 -18.200 0.307 -3.636 1.00 11.45 N ATOM 661 CA ARG A 43 -17.734 0.258 -2.255 1.00 14.02 C ATOM 662 C ARG A 43 -17.011 -1.055 -1.972 1.00 21.33 C ATOM 663 O ARG A 43 -17.546 -2.137 -2.219 1.00 65.04 O ATOM 664 CB ARG A 43 -18.911 0.422 -1.291 1.00 51.42 C ATOM 665 CG ARG A 43 -18.617 1.350 -0.123 1.00 71.25 C ATOM 666 CD ARG A 43 -18.791 2.809 -0.514 1.00 2.33 C ATOM 667 NE ARG A 43 -20.177 3.126 -0.846 1.00 72.32 N ATOM 668 CZ ARG A 43 -21.154 3.180 0.052 1.00 74.20 C ATOM 669 NH1 ARG A 43 -20.898 2.940 1.331 1.00 50.44 N ATOM 670 NH2 ARG A 43 -22.391 3.475 -0.328 1.00 70.41 N ATOM 0 H ARG A 43 -18.837 -0.446 -3.894 1.00 11.45 H new ATOM 0 HA ARG A 43 -17.033 1.079 -2.105 1.00 14.02 H new ATOM 0 HB2 ARG A 43 -19.770 0.806 -1.842 1.00 51.42 H new ATOM 0 HB3 ARG A 43 -19.192 -0.557 -0.904 1.00 51.42 H new ATOM 0 HG2 ARG A 43 -19.282 1.113 0.708 1.00 71.25 H new ATOM 0 HG3 ARG A 43 -17.598 1.185 0.227 1.00 71.25 H new ATOM 0 HD2 ARG A 43 -18.460 3.446 0.306 1.00 2.33 H new ATOM 0 HD3 ARG A 43 -18.153 3.034 -1.369 1.00 2.33 H new ATOM 0 HE ARG A 43 -20.408 3.316 -1.821 1.00 72.32 H new ATOM 0 HH11 ARG A 43 -19.949 2.713 1.627 1.00 50.44 H new ATOM 0 HH12 ARG A 43 -21.650 2.982 2.018 1.00 50.44 H new ATOM 0 HH21 ARG A 43 -22.592 3.661 -1.311 1.00 70.41 H new ATOM 0 HH22 ARG A 43 -23.141 3.516 0.363 1.00 70.41 H new ATOM 684 N LEU A 44 -15.793 -0.953 -1.452 1.00 65.33 N ATOM 685 CA LEU A 44 -14.995 -2.133 -1.136 1.00 4.24 C ATOM 686 C LEU A 44 -14.954 -2.375 0.370 1.00 41.41 C ATOM 687 O LEU A 44 -15.142 -1.452 1.163 1.00 53.12 O ATOM 688 CB LEU A 44 -13.573 -1.971 -1.676 1.00 61.23 C ATOM 689 CG LEU A 44 -12.810 -0.735 -1.199 1.00 24.32 C ATOM 690 CD1 LEU A 44 -11.320 -1.028 -1.113 1.00 22.33 C ATOM 691 CD2 LEU A 44 -13.071 0.444 -2.125 1.00 24.50 C ATOM 0 H LEU A 44 -15.336 -0.066 -1.240 1.00 65.33 H new ATOM 0 HA LEU A 44 -15.462 -2.995 -1.612 1.00 4.24 H new ATOM 0 HB2 LEU A 44 -12.999 -2.856 -1.402 1.00 61.23 H new ATOM 0 HB3 LEU A 44 -13.620 -1.946 -2.765 1.00 61.23 H new ATOM 0 HG LEU A 44 -13.166 -0.474 -0.203 1.00 24.32 H new ATOM 0 HD11 LEU A 44 -10.793 -0.137 -0.772 1.00 22.33 H new ATOM 0 HD12 LEU A 44 -11.149 -1.842 -0.409 1.00 22.33 H new ATOM 0 HD13 LEU A 44 -10.948 -1.315 -2.097 1.00 22.33 H new ATOM 0 HD21 LEU A 44 -12.520 1.315 -1.770 1.00 24.50 H new ATOM 0 HD22 LEU A 44 -12.743 0.194 -3.134 1.00 24.50 H new ATOM 0 HD23 LEU A 44 -14.137 0.669 -2.136 1.00 24.50 H new ATOM 703 N VAL A 45 -14.705 -3.621 0.757 1.00 24.53 N ATOM 704 CA VAL A 45 -14.636 -3.984 2.168 1.00 65.42 C ATOM 705 C VAL A 45 -13.229 -4.429 2.553 1.00 41.14 C ATOM 706 O VAL A 45 -12.714 -5.418 2.029 1.00 11.55 O ATOM 707 CB VAL A 45 -15.629 -5.112 2.507 1.00 40.44 C ATOM 708 CG1 VAL A 45 -15.651 -5.372 4.005 1.00 0.41 C ATOM 709 CG2 VAL A 45 -17.020 -4.766 1.997 1.00 61.44 C ATOM 0 H VAL A 45 -14.548 -4.397 0.114 1.00 24.53 H new ATOM 0 HA VAL A 45 -14.901 -3.093 2.737 1.00 65.42 H new ATOM 0 HB VAL A 45 -15.300 -6.024 2.010 1.00 40.44 H new ATOM 0 HG11 VAL A 45 -16.358 -6.172 4.225 1.00 0.41 H new ATOM 0 HG12 VAL A 45 -14.656 -5.666 4.338 1.00 0.41 H new ATOM 0 HG13 VAL A 45 -15.955 -4.465 4.527 1.00 0.41 H new ATOM 0 HG21 VAL A 45 -17.709 -5.573 2.245 1.00 61.44 H new ATOM 0 HG22 VAL A 45 -17.360 -3.842 2.465 1.00 61.44 H new ATOM 0 HG23 VAL A 45 -16.989 -4.635 0.915 1.00 61.44 H new ATOM 719 N TYR A 46 -12.612 -3.693 3.470 1.00 13.23 N ATOM 720 CA TYR A 46 -11.264 -4.010 3.925 1.00 45.25 C ATOM 721 C TYR A 46 -11.296 -4.714 5.277 1.00 23.24 C ATOM 722 O TYR A 46 -11.717 -4.137 6.279 1.00 33.12 O ATOM 723 CB TYR A 46 -10.422 -2.736 4.020 1.00 15.33 C ATOM 724 CG TYR A 46 -9.016 -2.897 3.489 1.00 72.11 C ATOM 725 CD1 TYR A 46 -8.267 -4.030 3.782 1.00 73.24 C ATOM 726 CD2 TYR A 46 -8.437 -1.917 2.693 1.00 43.41 C ATOM 727 CE1 TYR A 46 -6.982 -4.181 3.299 1.00 61.32 C ATOM 728 CE2 TYR A 46 -7.152 -2.060 2.204 1.00 14.14 C ATOM 729 CZ TYR A 46 -6.429 -3.194 2.511 1.00 40.45 C ATOM 730 OH TYR A 46 -5.149 -3.341 2.026 1.00 33.15 O ATOM 0 H TYR A 46 -13.024 -2.872 3.913 1.00 13.23 H new ATOM 0 HA TYR A 46 -10.812 -4.683 3.197 1.00 45.25 H new ATOM 0 HB2 TYR A 46 -10.921 -1.939 3.468 1.00 15.33 H new ATOM 0 HB3 TYR A 46 -10.374 -2.420 5.062 1.00 15.33 H new ATOM 0 HD1 TYR A 46 -8.697 -4.806 4.398 1.00 73.24 H new ATOM 0 HD2 TYR A 46 -9.001 -1.028 2.452 1.00 43.41 H new ATOM 0 HE1 TYR A 46 -6.413 -5.068 3.537 1.00 61.32 H new ATOM 0 HE2 TYR A 46 -6.717 -1.289 1.586 1.00 14.14 H new ATOM 0 HH TYR A 46 -5.171 -3.863 1.197 1.00 33.15 H new ATOM 740 N GLN A 47 -10.846 -5.965 5.297 1.00 54.13 N ATOM 741 CA GLN A 47 -10.823 -6.749 6.526 1.00 55.11 C ATOM 742 C GLN A 47 -12.211 -6.817 7.154 1.00 15.44 C ATOM 743 O GLN A 47 -12.350 -6.830 8.377 1.00 75.04 O ATOM 744 CB GLN A 47 -9.829 -6.148 7.521 1.00 40.13 C ATOM 745 CG GLN A 47 -8.953 -7.184 8.207 1.00 53.13 C ATOM 746 CD GLN A 47 -7.493 -6.780 8.245 1.00 24.13 C ATOM 747 OE1 GLN A 47 -6.885 -6.505 7.210 1.00 12.42 O ATOM 748 NE2 GLN A 47 -6.920 -6.743 9.443 1.00 41.42 N ATOM 0 H GLN A 47 -10.493 -6.457 4.476 1.00 54.13 H new ATOM 0 HA GLN A 47 -10.507 -7.762 6.275 1.00 55.11 H new ATOM 0 HB2 GLN A 47 -9.192 -5.434 6.999 1.00 40.13 H new ATOM 0 HB3 GLN A 47 -10.379 -5.590 8.279 1.00 40.13 H new ATOM 0 HG2 GLN A 47 -9.310 -7.339 9.225 1.00 53.13 H new ATOM 0 HG3 GLN A 47 -9.049 -8.137 7.687 1.00 53.13 H new ATOM 0 HE21 GLN A 47 -7.461 -6.979 10.275 1.00 41.42 H new ATOM 0 HE22 GLN A 47 -5.939 -6.479 9.531 1.00 41.42 H new ATOM 757 N GLY A 48 -13.237 -6.859 6.309 1.00 12.42 N ATOM 758 CA GLY A 48 -14.601 -6.924 6.801 1.00 51.23 C ATOM 759 C GLY A 48 -15.139 -5.564 7.201 1.00 62.24 C ATOM 760 O GLY A 48 -16.265 -5.451 7.685 1.00 21.25 O ATOM 0 H GLY A 48 -13.148 -6.849 5.293 1.00 12.42 H new ATOM 0 HA2 GLY A 48 -15.242 -7.352 6.030 1.00 51.23 H new ATOM 0 HA3 GLY A 48 -14.643 -7.595 7.659 1.00 51.23 H new ATOM 764 N LYS A 49 -14.332 -4.528 6.999 1.00 40.10 N ATOM 765 CA LYS A 49 -14.732 -3.168 7.342 1.00 63.31 C ATOM 766 C LYS A 49 -15.126 -2.386 6.093 1.00 12.13 C ATOM 767 O LYS A 49 -14.669 -2.688 4.991 1.00 34.03 O ATOM 768 CB LYS A 49 -13.594 -2.448 8.069 1.00 20.45 C ATOM 769 CG LYS A 49 -13.935 -2.060 9.498 1.00 62.32 C ATOM 770 CD LYS A 49 -14.214 -3.283 10.356 1.00 15.52 C ATOM 771 CE LYS A 49 -12.980 -4.160 10.496 1.00 3.53 C ATOM 772 NZ LYS A 49 -13.016 -4.973 11.743 1.00 60.41 N ATOM 0 H LYS A 49 -13.397 -4.604 6.599 1.00 40.10 H new ATOM 0 HA LYS A 49 -15.598 -3.226 8.002 1.00 63.31 H new ATOM 0 HB2 LYS A 49 -12.714 -3.091 8.076 1.00 20.45 H new ATOM 0 HB3 LYS A 49 -13.328 -1.550 7.511 1.00 20.45 H new ATOM 0 HG2 LYS A 49 -13.110 -1.493 9.929 1.00 62.32 H new ATOM 0 HG3 LYS A 49 -14.807 -1.406 9.500 1.00 62.32 H new ATOM 0 HD2 LYS A 49 -14.551 -2.967 11.343 1.00 15.52 H new ATOM 0 HD3 LYS A 49 -15.025 -3.862 9.913 1.00 15.52 H new ATOM 0 HE2 LYS A 49 -12.905 -4.822 9.633 1.00 3.53 H new ATOM 0 HE3 LYS A 49 -12.088 -3.534 10.496 1.00 3.53 H new ATOM 0 HZ1 LYS A 49 -12.157 -5.557 11.802 1.00 60.41 H new ATOM 0 HZ2 LYS A 49 -13.062 -4.341 12.568 1.00 60.41 H new ATOM 0 HZ3 LYS A 49 -13.854 -5.589 11.732 1.00 60.41 H new ATOM 786 N GLN A 50 -15.975 -1.380 6.275 1.00 53.42 N ATOM 787 CA GLN A 50 -16.430 -0.554 5.162 1.00 23.11 C ATOM 788 C GLN A 50 -15.882 0.865 5.278 1.00 72.43 C ATOM 789 O GLN A 50 -15.491 1.304 6.360 1.00 51.21 O ATOM 790 CB GLN A 50 -17.958 -0.521 5.115 1.00 73.33 C ATOM 791 CG GLN A 50 -18.602 -1.886 5.296 1.00 70.41 C ATOM 792 CD GLN A 50 -20.092 -1.870 5.019 1.00 34.20 C ATOM 793 OE1 GLN A 50 -20.529 -1.496 3.930 1.00 13.23 O ATOM 794 NE2 GLN A 50 -20.883 -2.278 6.005 1.00 5.45 N ATOM 0 H GLN A 50 -16.362 -1.117 7.182 1.00 53.42 H new ATOM 0 HA GLN A 50 -16.055 -0.995 4.238 1.00 23.11 H new ATOM 0 HB2 GLN A 50 -18.323 0.150 5.893 1.00 73.33 H new ATOM 0 HB3 GLN A 50 -18.275 -0.103 4.160 1.00 73.33 H new ATOM 0 HG2 GLN A 50 -18.120 -2.602 4.630 1.00 70.41 H new ATOM 0 HG3 GLN A 50 -18.430 -2.233 6.315 1.00 70.41 H new ATOM 0 HE21 GLN A 50 -20.479 -2.580 6.892 1.00 5.45 H new ATOM 0 HE22 GLN A 50 -21.895 -2.290 5.876 1.00 5.45 H new ATOM 803 N LEU A 51 -15.856 1.577 4.156 1.00 34.45 N ATOM 804 CA LEU A 51 -15.356 2.947 4.132 1.00 72.25 C ATOM 805 C LEU A 51 -13.879 2.994 4.511 1.00 55.34 C ATOM 806 O LEU A 51 -13.528 2.896 5.686 1.00 45.35 O ATOM 807 CB LEU A 51 -16.168 3.824 5.086 1.00 41.41 C ATOM 808 CG LEU A 51 -17.679 3.589 5.093 1.00 42.43 C ATOM 809 CD1 LEU A 51 -18.323 4.290 6.279 1.00 24.11 C ATOM 810 CD2 LEU A 51 -18.299 4.068 3.788 1.00 62.21 C ATOM 0 H LEU A 51 -16.175 1.228 3.252 1.00 34.45 H new ATOM 0 HA LEU A 51 -15.464 3.330 3.117 1.00 72.25 H new ATOM 0 HB2 LEU A 51 -15.792 3.670 6.097 1.00 41.41 H new ATOM 0 HB3 LEU A 51 -15.984 4.868 4.833 1.00 41.41 H new ATOM 0 HG LEU A 51 -17.860 2.518 5.188 1.00 42.43 H new ATOM 0 HD11 LEU A 51 -19.398 4.111 6.267 1.00 24.11 H new ATOM 0 HD12 LEU A 51 -17.901 3.900 7.205 1.00 24.11 H new ATOM 0 HD13 LEU A 51 -18.132 5.361 6.216 1.00 24.11 H new ATOM 0 HD21 LEU A 51 -19.375 3.893 3.810 1.00 62.21 H new ATOM 0 HD22 LEU A 51 -18.107 5.134 3.664 1.00 62.21 H new ATOM 0 HD23 LEU A 51 -17.860 3.521 2.954 1.00 62.21 H new ATOM 822 N GLU A 52 -13.021 3.147 3.507 1.00 2.43 N ATOM 823 CA GLU A 52 -11.582 3.209 3.737 1.00 52.52 C ATOM 824 C GLU A 52 -10.995 4.495 3.162 1.00 4.33 C ATOM 825 O GLU A 52 -9.798 4.755 3.290 1.00 0.04 O ATOM 826 CB GLU A 52 -10.891 1.996 3.112 1.00 42.03 C ATOM 827 CG GLU A 52 -11.443 0.665 3.594 1.00 2.35 C ATOM 828 CD GLU A 52 -10.814 0.211 4.897 1.00 25.31 C ATOM 829 OE1 GLU A 52 -9.574 0.062 4.936 1.00 31.22 O ATOM 830 OE2 GLU A 52 -11.560 0.004 5.877 1.00 64.23 O ATOM 0 H GLU A 52 -13.297 3.230 2.528 1.00 2.43 H new ATOM 0 HA GLU A 52 -11.411 3.201 4.813 1.00 52.52 H new ATOM 0 HB2 GLU A 52 -10.991 2.050 2.028 1.00 42.03 H new ATOM 0 HB3 GLU A 52 -9.825 2.040 3.336 1.00 42.03 H new ATOM 0 HG2 GLU A 52 -12.522 0.749 3.725 1.00 2.35 H new ATOM 0 HG3 GLU A 52 -11.273 -0.093 2.829 1.00 2.35 H new ATOM 837 N ASP A 53 -11.845 5.296 2.529 1.00 64.54 N ATOM 838 CA ASP A 53 -11.411 6.555 1.934 1.00 31.33 C ATOM 839 C ASP A 53 -10.701 7.426 2.966 1.00 40.25 C ATOM 840 O ASP A 53 -9.703 8.077 2.659 1.00 3.24 O ATOM 841 CB ASP A 53 -12.608 7.307 1.350 1.00 31.44 C ATOM 842 CG ASP A 53 -12.251 8.076 0.094 1.00 15.50 C ATOM 843 OD1 ASP A 53 -11.335 8.922 0.157 1.00 12.41 O ATOM 844 OD2 ASP A 53 -12.889 7.834 -0.952 1.00 72.22 O ATOM 0 H ASP A 53 -12.839 5.096 2.415 1.00 64.54 H new ATOM 0 HA ASP A 53 -10.709 6.327 1.132 1.00 31.33 H new ATOM 0 HB2 ASP A 53 -13.404 6.598 1.124 1.00 31.44 H new ATOM 0 HB3 ASP A 53 -12.999 7.998 2.097 1.00 31.44 H new ATOM 849 N GLU A 54 -11.224 7.434 4.188 1.00 72.34 N ATOM 850 CA GLU A 54 -10.641 8.227 5.263 1.00 44.11 C ATOM 851 C GLU A 54 -9.268 7.688 5.654 1.00 63.34 C ATOM 852 O GLU A 54 -8.450 8.401 6.236 1.00 72.21 O ATOM 853 CB GLU A 54 -11.565 8.232 6.482 1.00 2.14 C ATOM 854 CG GLU A 54 -11.923 9.626 6.969 1.00 53.23 C ATOM 855 CD GLU A 54 -12.112 9.689 8.472 1.00 42.20 C ATOM 856 OE1 GLU A 54 -11.131 9.437 9.203 1.00 32.22 O ATOM 857 OE2 GLU A 54 -13.239 9.990 8.917 1.00 2.41 O ATOM 0 H GLU A 54 -12.050 6.900 4.458 1.00 72.34 H new ATOM 0 HA GLU A 54 -10.522 9.249 4.902 1.00 44.11 H new ATOM 0 HB2 GLU A 54 -12.481 7.696 6.235 1.00 2.14 H new ATOM 0 HB3 GLU A 54 -11.085 7.685 7.293 1.00 2.14 H new ATOM 0 HG2 GLU A 54 -11.137 10.322 6.676 1.00 53.23 H new ATOM 0 HG3 GLU A 54 -12.839 9.954 6.477 1.00 53.23 H new ATOM 864 N LYS A 55 -9.021 6.423 5.330 1.00 74.15 N ATOM 865 CA LYS A 55 -7.748 5.786 5.645 1.00 74.32 C ATOM 866 C LYS A 55 -6.809 5.823 4.443 1.00 32.24 C ATOM 867 O LYS A 55 -6.082 4.864 4.182 1.00 13.12 O ATOM 868 CB LYS A 55 -7.975 4.337 6.084 1.00 5.43 C ATOM 869 CG LYS A 55 -8.377 4.200 7.542 1.00 13.13 C ATOM 870 CD LYS A 55 -9.860 4.469 7.739 1.00 61.31 C ATOM 871 CE LYS A 55 -10.094 5.620 8.705 1.00 54.13 C ATOM 872 NZ LYS A 55 -11.534 5.761 9.061 1.00 45.24 N ATOM 0 H LYS A 55 -9.687 5.818 4.849 1.00 74.15 H new ATOM 0 HA LYS A 55 -7.285 6.339 6.462 1.00 74.32 H new ATOM 0 HB2 LYS A 55 -8.750 3.894 5.459 1.00 5.43 H new ATOM 0 HB3 LYS A 55 -7.062 3.767 5.912 1.00 5.43 H new ATOM 0 HG2 LYS A 55 -8.139 3.196 7.893 1.00 13.13 H new ATOM 0 HG3 LYS A 55 -7.796 4.896 8.147 1.00 13.13 H new ATOM 0 HD2 LYS A 55 -10.320 4.700 6.778 1.00 61.31 H new ATOM 0 HD3 LYS A 55 -10.347 3.570 8.118 1.00 61.31 H new ATOM 0 HE2 LYS A 55 -9.510 5.458 9.611 1.00 54.13 H new ATOM 0 HE3 LYS A 55 -9.738 6.548 8.258 1.00 54.13 H new ATOM 0 HZ1 LYS A 55 -11.652 6.556 9.721 1.00 45.24 H new ATOM 0 HZ2 LYS A 55 -12.089 5.941 8.200 1.00 45.24 H new ATOM 0 HZ3 LYS A 55 -11.868 4.885 9.511 1.00 45.24 H new ATOM 886 N ARG A 56 -6.829 6.935 3.717 1.00 44.41 N ATOM 887 CA ARG A 56 -5.978 7.097 2.544 1.00 74.23 C ATOM 888 C ARG A 56 -4.537 6.710 2.860 1.00 45.22 C ATOM 889 O ARG A 56 -4.094 5.606 2.540 1.00 41.12 O ATOM 890 CB ARG A 56 -6.032 8.541 2.043 1.00 13.42 C ATOM 891 CG ARG A 56 -6.237 9.562 3.150 1.00 14.33 C ATOM 892 CD ARG A 56 -7.674 10.060 3.190 1.00 42.00 C ATOM 893 NE ARG A 56 -7.751 11.486 3.494 1.00 4.41 N ATOM 894 CZ ARG A 56 -7.481 11.998 4.690 1.00 54.42 C ATOM 895 NH1 ARG A 56 -7.119 11.205 5.688 1.00 33.32 N ATOM 896 NH2 ARG A 56 -7.574 13.307 4.889 1.00 43.14 N ATOM 0 H ARG A 56 -7.425 7.738 3.920 1.00 44.41 H new ATOM 0 HA ARG A 56 -6.350 6.435 1.762 1.00 74.23 H new ATOM 0 HB2 ARG A 56 -5.105 8.769 1.517 1.00 13.42 H new ATOM 0 HB3 ARG A 56 -6.841 8.635 1.319 1.00 13.42 H new ATOM 0 HG2 ARG A 56 -5.979 9.116 4.110 1.00 14.33 H new ATOM 0 HG3 ARG A 56 -5.563 10.405 2.998 1.00 14.33 H new ATOM 0 HD2 ARG A 56 -8.151 9.868 2.229 1.00 42.00 H new ATOM 0 HD3 ARG A 56 -8.231 9.499 3.940 1.00 42.00 H new ATOM 0 HE ARG A 56 -8.027 12.124 2.748 1.00 4.41 H new ATOM 0 HH11 ARG A 56 -7.047 10.198 5.539 1.00 33.32 H new ATOM 0 HH12 ARG A 56 -6.912 11.601 6.605 1.00 33.32 H new ATOM 0 HH21 ARG A 56 -7.853 13.921 4.123 1.00 43.14 H new ATOM 0 HH22 ARG A 56 -7.367 13.699 5.807 1.00 43.14 H new ATOM 910 N LEU A 57 -3.808 7.626 3.489 1.00 35.01 N ATOM 911 CA LEU A 57 -2.416 7.382 3.849 1.00 61.34 C ATOM 912 C LEU A 57 -2.301 6.211 4.819 1.00 34.33 C ATOM 913 O LEU A 57 -1.341 5.442 4.771 1.00 32.51 O ATOM 914 CB LEU A 57 -1.802 8.637 4.471 1.00 64.21 C ATOM 915 CG LEU A 57 -0.278 8.747 4.395 1.00 54.12 C ATOM 916 CD1 LEU A 57 0.162 10.191 4.581 1.00 23.45 C ATOM 917 CD2 LEU A 57 0.374 7.849 5.436 1.00 41.40 C ATOM 0 H LEU A 57 -4.158 8.545 3.760 1.00 35.01 H new ATOM 0 HA LEU A 57 -1.870 7.131 2.940 1.00 61.34 H new ATOM 0 HB2 LEU A 57 -2.234 9.510 3.981 1.00 64.21 H new ATOM 0 HB3 LEU A 57 -2.098 8.681 5.519 1.00 64.21 H new ATOM 0 HG LEU A 57 0.043 8.416 3.407 1.00 54.12 H new ATOM 0 HD11 LEU A 57 1.249 10.250 4.524 1.00 23.45 H new ATOM 0 HD12 LEU A 57 -0.277 10.809 3.798 1.00 23.45 H new ATOM 0 HD13 LEU A 57 -0.170 10.550 5.555 1.00 23.45 H new ATOM 0 HD21 LEU A 57 1.458 7.940 5.367 1.00 41.40 H new ATOM 0 HD22 LEU A 57 0.047 8.149 6.432 1.00 41.40 H new ATOM 0 HD23 LEU A 57 0.085 6.814 5.256 1.00 41.40 H new ATOM 929 N LYS A 58 -3.288 6.080 5.699 1.00 33.23 N ATOM 930 CA LYS A 58 -3.302 5.001 6.680 1.00 65.21 C ATOM 931 C LYS A 58 -3.258 3.640 5.992 1.00 4.01 C ATOM 932 O LYS A 58 -2.795 2.656 6.570 1.00 13.44 O ATOM 933 CB LYS A 58 -4.550 5.099 7.560 1.00 4.20 C ATOM 934 CG LYS A 58 -4.241 5.338 9.028 1.00 33.10 C ATOM 935 CD LYS A 58 -4.634 4.144 9.882 1.00 61.34 C ATOM 936 CE LYS A 58 -4.131 4.290 11.310 1.00 54.03 C ATOM 937 NZ LYS A 58 -4.937 3.482 12.267 1.00 64.33 N ATOM 0 H LYS A 58 -4.090 6.708 5.753 1.00 33.23 H new ATOM 0 HA LYS A 58 -2.415 5.102 7.306 1.00 65.21 H new ATOM 0 HB2 LYS A 58 -5.180 5.909 7.193 1.00 4.20 H new ATOM 0 HB3 LYS A 58 -5.126 4.178 7.464 1.00 4.20 H new ATOM 0 HG2 LYS A 58 -3.176 5.538 9.149 1.00 33.10 H new ATOM 0 HG3 LYS A 58 -4.773 6.224 9.373 1.00 33.10 H new ATOM 0 HD2 LYS A 58 -5.719 4.040 9.886 1.00 61.34 H new ATOM 0 HD3 LYS A 58 -4.228 3.232 9.444 1.00 61.34 H new ATOM 0 HE2 LYS A 58 -3.088 3.979 11.361 1.00 54.03 H new ATOM 0 HE3 LYS A 58 -4.166 5.340 11.602 1.00 54.03 H new ATOM 0 HZ1 LYS A 58 -4.563 3.608 13.229 1.00 64.33 H new ATOM 0 HZ2 LYS A 58 -5.928 3.795 12.237 1.00 64.33 H new ATOM 0 HZ3 LYS A 58 -4.884 2.477 12.004 1.00 64.33 H new ATOM 951 N ASP A 59 -3.740 3.592 4.755 1.00 22.32 N ATOM 952 CA ASP A 59 -3.753 2.352 3.988 1.00 60.33 C ATOM 953 C ASP A 59 -2.396 2.101 3.337 1.00 53.23 C ATOM 954 O ASP A 59 -2.110 0.993 2.882 1.00 42.41 O ATOM 955 CB ASP A 59 -4.845 2.401 2.918 1.00 62.13 C ATOM 956 CG ASP A 59 -6.117 1.702 3.356 1.00 63.12 C ATOM 957 OD1 ASP A 59 -6.465 1.798 4.551 1.00 5.21 O ATOM 958 OD2 ASP A 59 -6.764 1.058 2.504 1.00 62.44 O ATOM 0 H ASP A 59 -4.127 4.397 4.262 1.00 22.32 H new ATOM 0 HA ASP A 59 -3.964 1.531 4.674 1.00 60.33 H new ATOM 0 HB2 ASP A 59 -5.069 3.441 2.679 1.00 62.13 H new ATOM 0 HB3 ASP A 59 -4.475 1.937 2.004 1.00 62.13 H new ATOM 963 N TYR A 60 -1.566 3.137 3.295 1.00 62.03 N ATOM 964 CA TYR A 60 -0.241 3.030 2.696 1.00 4.31 C ATOM 965 C TYR A 60 0.712 2.269 3.613 1.00 73.30 C ATOM 966 O TYR A 60 1.759 1.790 3.178 1.00 54.22 O ATOM 967 CB TYR A 60 0.322 4.422 2.400 1.00 30.44 C ATOM 968 CG TYR A 60 1.652 4.397 1.682 1.00 60.23 C ATOM 969 CD1 TYR A 60 1.745 3.955 0.368 1.00 44.35 C ATOM 970 CD2 TYR A 60 2.815 4.814 2.317 1.00 62.22 C ATOM 971 CE1 TYR A 60 2.959 3.930 -0.293 1.00 55.21 C ATOM 972 CE2 TYR A 60 4.032 4.793 1.664 1.00 42.54 C ATOM 973 CZ TYR A 60 4.099 4.351 0.359 1.00 31.30 C ATOM 974 OH TYR A 60 5.310 4.328 -0.295 1.00 34.44 O ATOM 0 H TYR A 60 -1.787 4.060 3.668 1.00 62.03 H new ATOM 0 HA TYR A 60 -0.337 2.477 1.761 1.00 4.31 H new ATOM 0 HB2 TYR A 60 -0.397 4.975 1.796 1.00 30.44 H new ATOM 0 HB3 TYR A 60 0.435 4.966 3.338 1.00 30.44 H new ATOM 0 HD1 TYR A 60 0.854 3.625 -0.146 1.00 44.35 H new ATOM 0 HD2 TYR A 60 2.767 5.161 3.339 1.00 62.22 H new ATOM 0 HE1 TYR A 60 3.014 3.583 -1.314 1.00 55.21 H new ATOM 0 HE2 TYR A 60 4.927 5.121 2.173 1.00 42.54 H new ATOM 0 HH TYR A 60 6.012 4.658 0.304 1.00 34.44 H new ATOM 984 N GLN A 61 0.339 2.161 4.884 1.00 31.21 N ATOM 985 CA GLN A 61 1.159 1.458 5.863 1.00 22.42 C ATOM 986 C GLN A 61 0.918 -0.047 5.796 1.00 40.24 C ATOM 987 O GLN A 61 1.585 -0.823 6.478 1.00 23.33 O ATOM 988 CB GLN A 61 0.861 1.971 7.273 1.00 52.11 C ATOM 989 CG GLN A 61 1.963 2.845 7.848 1.00 4.21 C ATOM 990 CD GLN A 61 1.880 2.972 9.356 1.00 5.25 C ATOM 991 OE1 GLN A 61 2.735 2.462 10.082 1.00 53.11 O ATOM 992 NE2 GLN A 61 0.848 3.655 9.837 1.00 3.44 N ATOM 0 H GLN A 61 -0.525 2.551 5.260 1.00 31.21 H new ATOM 0 HA GLN A 61 2.206 1.651 5.627 1.00 22.42 H new ATOM 0 HB2 GLN A 61 -0.069 2.539 7.255 1.00 52.11 H new ATOM 0 HB3 GLN A 61 0.702 1.119 7.934 1.00 52.11 H new ATOM 0 HG2 GLN A 61 2.932 2.427 7.575 1.00 4.21 H new ATOM 0 HG3 GLN A 61 1.906 3.837 7.400 1.00 4.21 H new ATOM 0 HE21 GLN A 61 0.163 4.061 9.199 1.00 3.44 H new ATOM 0 HE22 GLN A 61 0.740 3.774 10.844 1.00 3.44 H new ATOM 1001 N MET A 62 -0.040 -0.451 4.968 1.00 13.21 N ATOM 1002 CA MET A 62 -0.369 -1.863 4.811 1.00 3.02 C ATOM 1003 C MET A 62 0.572 -2.532 3.814 1.00 22.45 C ATOM 1004 O MET A 62 1.395 -3.368 4.188 1.00 21.03 O ATOM 1005 CB MET A 62 -1.818 -2.023 4.349 1.00 72.23 C ATOM 1006 CG MET A 62 -2.794 -1.117 5.082 1.00 23.33 C ATOM 1007 SD MET A 62 -2.773 -1.374 6.867 1.00 62.31 S ATOM 1008 CE MET A 62 -4.523 -1.547 7.205 1.00 73.14 C ATOM 0 H MET A 62 -0.602 0.179 4.396 1.00 13.21 H new ATOM 0 HA MET A 62 -0.249 -2.348 5.780 1.00 3.02 H new ATOM 0 HB2 MET A 62 -1.875 -1.815 3.280 1.00 72.23 H new ATOM 0 HB3 MET A 62 -2.123 -3.060 4.489 1.00 72.23 H new ATOM 0 HG2 MET A 62 -2.551 -0.077 4.866 1.00 23.33 H new ATOM 0 HG3 MET A 62 -3.801 -1.294 4.705 1.00 23.33 H new ATOM 0 HE1 MET A 62 -4.673 -1.712 8.272 1.00 73.14 H new ATOM 0 HE2 MET A 62 -5.044 -0.639 6.902 1.00 73.14 H new ATOM 0 HE3 MET A 62 -4.919 -2.396 6.647 1.00 73.14 H new ATOM 1018 N SER A 63 0.445 -2.160 2.545 1.00 53.11 N ATOM 1019 CA SER A 63 1.281 -2.728 1.494 1.00 41.30 C ATOM 1020 C SER A 63 1.182 -4.250 1.484 1.00 72.14 C ATOM 1021 O SER A 63 2.105 -4.940 1.052 1.00 75.32 O ATOM 1022 CB SER A 63 2.738 -2.302 1.686 1.00 12.43 C ATOM 1023 OG SER A 63 2.823 -0.950 2.102 1.00 41.51 O ATOM 0 H SER A 63 -0.229 -1.467 2.219 1.00 53.11 H new ATOM 0 HA SER A 63 0.923 -2.352 0.536 1.00 41.30 H new ATOM 0 HB2 SER A 63 3.213 -2.944 2.427 1.00 12.43 H new ATOM 0 HB3 SER A 63 3.285 -2.434 0.752 1.00 12.43 H new ATOM 0 HG SER A 63 3.764 -0.702 2.219 1.00 41.51 H new ATOM 1029 N ALA A 64 0.055 -4.766 1.963 1.00 72.42 N ATOM 1030 CA ALA A 64 -0.167 -6.206 2.007 1.00 33.34 C ATOM 1031 C ALA A 64 -1.550 -6.532 2.563 1.00 43.41 C ATOM 1032 O ALA A 64 -1.695 -7.396 3.426 1.00 1.34 O ATOM 1033 CB ALA A 64 0.911 -6.881 2.842 1.00 21.11 C ATOM 0 H ALA A 64 -0.718 -4.208 2.326 1.00 72.42 H new ATOM 0 HA ALA A 64 -0.114 -6.588 0.987 1.00 33.34 H new ATOM 0 HB1 ALA A 64 0.733 -7.956 2.866 1.00 21.11 H new ATOM 0 HB2 ALA A 64 1.889 -6.685 2.401 1.00 21.11 H new ATOM 0 HB3 ALA A 64 0.885 -6.486 3.858 1.00 21.11 H new ATOM 1039 N GLY A 65 -2.564 -5.832 2.062 1.00 64.44 N ATOM 1040 CA GLY A 65 -3.921 -6.061 2.521 1.00 72.25 C ATOM 1041 C GLY A 65 -4.882 -6.328 1.379 1.00 61.42 C ATOM 1042 O GLY A 65 -5.046 -5.494 0.489 1.00 33.32 O ATOM 0 H GLY A 65 -2.469 -5.111 1.347 1.00 64.44 H new ATOM 0 HA2 GLY A 65 -3.931 -6.909 3.206 1.00 72.25 H new ATOM 0 HA3 GLY A 65 -4.263 -5.192 3.084 1.00 72.25 H new ATOM 1046 N ALA A 66 -5.517 -7.496 1.403 1.00 41.43 N ATOM 1047 CA ALA A 66 -6.466 -7.870 0.362 1.00 33.21 C ATOM 1048 C ALA A 66 -7.649 -6.908 0.326 1.00 32.51 C ATOM 1049 O ALA A 66 -8.188 -6.531 1.367 1.00 75.10 O ATOM 1050 CB ALA A 66 -6.950 -9.297 0.577 1.00 3.33 C ATOM 0 H ALA A 66 -5.391 -8.199 2.132 1.00 41.43 H new ATOM 0 HA ALA A 66 -5.955 -7.812 -0.599 1.00 33.21 H new ATOM 0 HB1 ALA A 66 -7.658 -9.563 -0.208 1.00 3.33 H new ATOM 0 HB2 ALA A 66 -6.100 -9.978 0.545 1.00 3.33 H new ATOM 0 HB3 ALA A 66 -7.439 -9.373 1.548 1.00 3.33 H new ATOM 1056 N THR A 67 -8.049 -6.514 -0.879 1.00 2.31 N ATOM 1057 CA THR A 67 -9.167 -5.594 -1.050 1.00 65.43 C ATOM 1058 C THR A 67 -10.244 -6.199 -1.944 1.00 23.15 C ATOM 1059 O THR A 67 -9.941 -6.856 -2.940 1.00 34.22 O ATOM 1060 CB THR A 67 -8.705 -4.256 -1.657 1.00 0.45 C ATOM 1061 OG1 THR A 67 -7.316 -4.325 -1.996 1.00 43.23 O ATOM 1062 CG2 THR A 67 -8.937 -3.111 -0.681 1.00 75.44 C ATOM 0 H THR A 67 -7.615 -6.818 -1.751 1.00 2.31 H new ATOM 0 HA THR A 67 -9.581 -5.411 -0.058 1.00 65.43 H new ATOM 0 HB THR A 67 -9.290 -4.070 -2.558 1.00 0.45 H new ATOM 0 HG1 THR A 67 -6.787 -3.887 -1.297 1.00 43.23 H new ATOM 0 HG21 THR A 67 -8.603 -2.176 -1.131 1.00 75.44 H new ATOM 0 HG22 THR A 67 -9.999 -3.042 -0.447 1.00 75.44 H new ATOM 0 HG23 THR A 67 -8.375 -3.294 0.235 1.00 75.44 H new ATOM 1070 N PHE A 68 -11.502 -5.973 -1.581 1.00 51.52 N ATOM 1071 CA PHE A 68 -12.625 -6.496 -2.350 1.00 51.34 C ATOM 1072 C PHE A 68 -13.641 -5.396 -2.646 1.00 60.21 C ATOM 1073 O PHE A 68 -14.286 -4.870 -1.738 1.00 62.51 O ATOM 1074 CB PHE A 68 -13.301 -7.640 -1.592 1.00 52.20 C ATOM 1075 CG PHE A 68 -14.637 -8.028 -2.159 1.00 64.32 C ATOM 1076 CD1 PHE A 68 -14.728 -8.613 -3.412 1.00 34.11 C ATOM 1077 CD2 PHE A 68 -15.800 -7.808 -1.440 1.00 31.22 C ATOM 1078 CE1 PHE A 68 -15.956 -8.972 -3.937 1.00 23.23 C ATOM 1079 CE2 PHE A 68 -17.030 -8.166 -1.959 1.00 50.42 C ATOM 1080 CZ PHE A 68 -17.108 -8.747 -3.210 1.00 31.14 C ATOM 0 H PHE A 68 -11.769 -5.431 -0.759 1.00 51.52 H new ATOM 0 HA PHE A 68 -12.240 -6.875 -3.297 1.00 51.34 H new ATOM 0 HB2 PHE A 68 -12.644 -8.510 -1.602 1.00 52.20 H new ATOM 0 HB3 PHE A 68 -13.428 -7.349 -0.549 1.00 52.20 H new ATOM 0 HD1 PHE A 68 -13.830 -8.791 -3.985 1.00 34.11 H new ATOM 0 HD2 PHE A 68 -15.745 -7.352 -0.463 1.00 31.22 H new ATOM 0 HE1 PHE A 68 -16.014 -9.428 -4.914 1.00 23.23 H new ATOM 0 HE2 PHE A 68 -17.929 -7.992 -1.387 1.00 50.42 H new ATOM 0 HZ PHE A 68 -18.068 -9.025 -3.619 1.00 31.14 H new ATOM 1090 N HIS A 69 -13.778 -5.053 -3.923 1.00 42.00 N ATOM 1091 CA HIS A 69 -14.715 -4.016 -4.340 1.00 0.13 C ATOM 1092 C HIS A 69 -16.082 -4.615 -4.658 1.00 44.12 C ATOM 1093 O HIS A 69 -16.177 -5.730 -5.169 1.00 70.24 O ATOM 1094 CB HIS A 69 -14.174 -3.271 -5.561 1.00 35.22 C ATOM 1095 CG HIS A 69 -13.034 -2.353 -5.246 1.00 12.42 C ATOM 1096 ND1 HIS A 69 -11.973 -2.718 -4.444 1.00 51.54 N ATOM 1097 CD2 HIS A 69 -12.792 -1.078 -5.631 1.00 0.10 C ATOM 1098 CE1 HIS A 69 -11.128 -1.706 -4.349 1.00 34.42 C ATOM 1099 NE2 HIS A 69 -11.602 -0.699 -5.060 1.00 62.22 N ATOM 0 H HIS A 69 -13.252 -5.478 -4.687 1.00 42.00 H new ATOM 0 HA HIS A 69 -14.830 -3.312 -3.516 1.00 0.13 H new ATOM 0 HB2 HIS A 69 -13.849 -3.998 -6.305 1.00 35.22 H new ATOM 0 HB3 HIS A 69 -14.981 -2.693 -6.011 1.00 35.22 H new ATOM 0 HD2 HIS A 69 -13.418 -0.472 -6.269 1.00 0.10 H new ATOM 0 HE1 HIS A 69 -10.207 -1.703 -3.786 1.00 34.42 H new ATOM 0 HE2 HIS A 69 -11.157 0.212 -5.168 1.00 62.22 H new ATOM 1107 N MET A 70 -17.136 -3.867 -4.352 1.00 13.52 N ATOM 1108 CA MET A 70 -18.497 -4.324 -4.606 1.00 74.11 C ATOM 1109 C MET A 70 -19.281 -3.284 -5.401 1.00 21.41 C ATOM 1110 O MET A 70 -19.337 -2.113 -5.025 1.00 24.53 O ATOM 1111 CB MET A 70 -19.213 -4.621 -3.287 1.00 14.40 C ATOM 1112 CG MET A 70 -20.693 -4.925 -3.454 1.00 33.11 C ATOM 1113 SD MET A 70 -21.272 -6.202 -2.320 1.00 63.44 S ATOM 1114 CE MET A 70 -21.881 -7.429 -3.475 1.00 24.01 C ATOM 0 H MET A 70 -17.074 -2.942 -3.928 1.00 13.52 H new ATOM 0 HA MET A 70 -18.442 -5.239 -5.195 1.00 74.11 H new ATOM 0 HB2 MET A 70 -18.729 -5.469 -2.803 1.00 14.40 H new ATOM 0 HB3 MET A 70 -19.099 -3.766 -2.621 1.00 14.40 H new ATOM 0 HG2 MET A 70 -21.268 -4.013 -3.292 1.00 33.11 H new ATOM 0 HG3 MET A 70 -20.881 -5.243 -4.480 1.00 33.11 H new ATOM 0 HE1 MET A 70 -22.273 -8.284 -2.924 1.00 24.01 H new ATOM 0 HE2 MET A 70 -22.674 -6.994 -4.083 1.00 24.01 H new ATOM 0 HE3 MET A 70 -21.066 -7.757 -4.121 1.00 24.01 H new ATOM 1124 N VAL A 71 -19.885 -3.720 -6.502 1.00 41.42 N ATOM 1125 CA VAL A 71 -20.666 -2.826 -7.350 1.00 21.44 C ATOM 1126 C VAL A 71 -21.999 -3.459 -7.732 1.00 54.44 C ATOM 1127 O VAL A 71 -22.045 -4.420 -8.500 1.00 55.45 O ATOM 1128 CB VAL A 71 -19.898 -2.457 -8.633 1.00 15.52 C ATOM 1129 CG1 VAL A 71 -19.389 -3.709 -9.330 1.00 51.42 C ATOM 1130 CG2 VAL A 71 -20.781 -1.639 -9.564 1.00 70.20 C ATOM 0 H VAL A 71 -19.849 -4.686 -6.828 1.00 41.42 H new ATOM 0 HA VAL A 71 -20.849 -1.920 -6.773 1.00 21.44 H new ATOM 0 HB VAL A 71 -19.036 -1.849 -8.358 1.00 15.52 H new ATOM 0 HG11 VAL A 71 -18.849 -3.428 -10.234 1.00 51.42 H new ATOM 0 HG12 VAL A 71 -18.720 -4.251 -8.662 1.00 51.42 H new ATOM 0 HG13 VAL A 71 -20.233 -4.347 -9.594 1.00 51.42 H new ATOM 0 HG21 VAL A 71 -20.223 -1.386 -10.466 1.00 70.20 H new ATOM 0 HG22 VAL A 71 -21.663 -2.221 -9.834 1.00 70.20 H new ATOM 0 HG23 VAL A 71 -21.091 -0.723 -9.060 1.00 70.20 H new ATOM 1140 N VAL A 72 -23.084 -2.912 -7.192 1.00 20.11 N ATOM 1141 CA VAL A 72 -24.420 -3.421 -7.478 1.00 21.21 C ATOM 1142 C VAL A 72 -25.251 -2.390 -8.233 1.00 12.14 C ATOM 1143 O VAL A 72 -25.670 -1.381 -7.667 1.00 12.15 O ATOM 1144 CB VAL A 72 -25.159 -3.814 -6.185 1.00 55.11 C ATOM 1145 CG1 VAL A 72 -25.104 -2.680 -5.173 1.00 20.24 C ATOM 1146 CG2 VAL A 72 -26.600 -4.197 -6.491 1.00 43.50 C ATOM 0 H VAL A 72 -23.064 -2.116 -6.554 1.00 20.11 H new ATOM 0 HA VAL A 72 -24.295 -4.307 -8.100 1.00 21.21 H new ATOM 0 HB VAL A 72 -24.661 -4.681 -5.751 1.00 55.11 H new ATOM 0 HG11 VAL A 72 -25.631 -2.976 -4.266 1.00 20.24 H new ATOM 0 HG12 VAL A 72 -24.065 -2.457 -4.932 1.00 20.24 H new ATOM 0 HG13 VAL A 72 -25.577 -1.793 -5.595 1.00 20.24 H new ATOM 0 HG21 VAL A 72 -27.108 -4.472 -5.566 1.00 43.50 H new ATOM 0 HG22 VAL A 72 -27.112 -3.350 -6.948 1.00 43.50 H new ATOM 0 HG23 VAL A 72 -26.614 -5.043 -7.178 1.00 43.50 H new ATOM 1156 N ALA A 73 -25.486 -2.651 -9.514 1.00 54.14 N ATOM 1157 CA ALA A 73 -26.270 -1.747 -10.347 1.00 1.32 C ATOM 1158 C ALA A 73 -27.412 -2.486 -11.036 1.00 12.34 C ATOM 1159 O ALA A 73 -27.226 -3.090 -12.093 1.00 32.45 O ATOM 1160 CB ALA A 73 -25.378 -1.072 -11.378 1.00 5.11 C ATOM 0 H ALA A 73 -25.145 -3.481 -9.998 1.00 54.14 H new ATOM 0 HA ALA A 73 -26.704 -0.983 -9.702 1.00 1.32 H new ATOM 0 HB1 ALA A 73 -25.977 -0.400 -11.993 1.00 5.11 H new ATOM 0 HB2 ALA A 73 -24.600 -0.502 -10.869 1.00 5.11 H new ATOM 0 HB3 ALA A 73 -24.917 -1.829 -12.012 1.00 5.11 H new ATOM 1166 N LEU A 74 -28.594 -2.434 -10.431 1.00 22.12 N ATOM 1167 CA LEU A 74 -29.767 -3.100 -10.986 1.00 12.40 C ATOM 1168 C LEU A 74 -30.896 -2.102 -11.227 1.00 63.24 C ATOM 1169 O LEU A 74 -32.074 -2.454 -11.159 1.00 5.11 O ATOM 1170 CB LEU A 74 -30.243 -4.207 -10.044 1.00 60.23 C ATOM 1171 CG LEU A 74 -30.162 -3.898 -8.549 1.00 53.31 C ATOM 1172 CD1 LEU A 74 -31.110 -2.765 -8.186 1.00 75.35 C ATOM 1173 CD2 LEU A 74 -30.475 -5.141 -7.729 1.00 53.04 C ATOM 0 H LEU A 74 -28.765 -1.938 -9.556 1.00 22.12 H new ATOM 0 HA LEU A 74 -29.485 -3.541 -11.942 1.00 12.40 H new ATOM 0 HB2 LEU A 74 -31.278 -4.445 -10.290 1.00 60.23 H new ATOM 0 HB3 LEU A 74 -29.654 -5.103 -10.242 1.00 60.23 H new ATOM 0 HG LEU A 74 -29.145 -3.582 -8.318 1.00 53.31 H new ATOM 0 HD11 LEU A 74 -31.039 -2.559 -7.118 1.00 75.35 H new ATOM 0 HD12 LEU A 74 -30.840 -1.870 -8.747 1.00 75.35 H new ATOM 0 HD13 LEU A 74 -32.132 -3.053 -8.433 1.00 75.35 H new ATOM 0 HD21 LEU A 74 -30.412 -4.902 -6.667 1.00 53.04 H new ATOM 0 HD22 LEU A 74 -31.481 -5.488 -7.964 1.00 53.04 H new ATOM 0 HD23 LEU A 74 -29.756 -5.925 -7.967 1.00 53.04 H new ATOM 1185 N ARG A 75 -30.527 -0.857 -11.512 1.00 34.30 N ATOM 1186 CA ARG A 75 -31.509 0.191 -11.765 1.00 23.12 C ATOM 1187 C ARG A 75 -32.032 0.112 -13.196 1.00 43.21 C ATOM 1188 O ARG A 75 -33.235 -0.016 -13.422 1.00 24.04 O ATOM 1189 CB ARG A 75 -30.893 1.568 -11.511 1.00 25.24 C ATOM 1190 CG ARG A 75 -31.248 2.153 -10.154 1.00 13.23 C ATOM 1191 CD ARG A 75 -30.708 1.297 -9.019 1.00 11.32 C ATOM 1192 NE ARG A 75 -30.255 2.107 -7.891 1.00 34.44 N ATOM 1193 CZ ARG A 75 -31.080 2.707 -7.039 1.00 23.40 C ATOM 1194 NH1 ARG A 75 -32.392 2.588 -7.187 1.00 0.44 N ATOM 1195 NH2 ARG A 75 -30.592 3.426 -6.037 1.00 5.23 N ATOM 0 H ARG A 75 -29.556 -0.550 -11.573 1.00 34.30 H new ATOM 0 HA ARG A 75 -32.346 0.043 -11.082 1.00 23.12 H new ATOM 0 HB2 ARG A 75 -29.809 1.492 -11.592 1.00 25.24 H new ATOM 0 HB3 ARG A 75 -31.224 2.254 -12.291 1.00 25.24 H new ATOM 0 HG2 ARG A 75 -30.843 3.162 -10.074 1.00 13.23 H new ATOM 0 HG3 ARG A 75 -32.331 2.236 -10.065 1.00 13.23 H new ATOM 0 HD2 ARG A 75 -31.484 0.609 -8.683 1.00 11.32 H new ATOM 0 HD3 ARG A 75 -29.880 0.690 -9.385 1.00 11.32 H new ATOM 0 HE ARG A 75 -29.251 2.218 -7.749 1.00 34.44 H new ATOM 0 HH11 ARG A 75 -32.770 2.035 -7.956 1.00 0.44 H new ATOM 0 HH12 ARG A 75 -33.023 3.049 -6.532 1.00 0.44 H new ATOM 0 HH21 ARG A 75 -29.583 3.519 -5.920 1.00 5.23 H new ATOM 0 HH22 ARG A 75 -31.226 3.886 -5.384 1.00 5.23 H new ATOM 1209 N ALA A 76 -31.119 0.191 -14.159 1.00 73.52 N ATOM 1210 CA ALA A 76 -31.488 0.127 -15.568 1.00 31.31 C ATOM 1211 C ALA A 76 -30.256 -0.038 -16.451 1.00 61.00 C ATOM 1212 O ALA A 76 -29.144 0.305 -16.052 1.00 42.22 O ATOM 1213 CB ALA A 76 -32.263 1.373 -15.967 1.00 53.55 C ATOM 0 H ALA A 76 -30.119 0.299 -13.989 1.00 73.52 H new ATOM 0 HA ALA A 76 -32.125 -0.745 -15.712 1.00 31.31 H new ATOM 0 HB1 ALA A 76 -32.532 1.312 -17.021 1.00 53.55 H new ATOM 0 HB2 ALA A 76 -33.169 1.446 -15.365 1.00 53.55 H new ATOM 0 HB3 ALA A 76 -31.644 2.255 -15.801 1.00 53.55 H new ATOM 1219 N GLY A 77 -30.462 -0.567 -17.654 1.00 4.33 N ATOM 1220 CA GLY A 77 -29.358 -0.768 -18.574 1.00 23.51 C ATOM 1221 C GLY A 77 -29.799 -0.741 -20.024 1.00 32.12 C ATOM 1222 O GLY A 77 -29.423 -1.611 -20.811 1.00 14.14 O ATOM 0 H GLY A 77 -31.373 -0.860 -18.007 1.00 4.33 H new ATOM 0 HA2 GLY A 77 -28.608 0.006 -18.411 1.00 23.51 H new ATOM 0 HA3 GLY A 77 -28.881 -1.724 -18.360 1.00 23.51 H new ATOM 1226 N CYS A 78 -30.600 0.258 -20.378 1.00 5.11 N ATOM 1227 CA CYS A 78 -31.095 0.394 -21.743 1.00 71.20 C ATOM 1228 C CYS A 78 -31.790 1.737 -21.938 1.00 40.52 C ATOM 1229 O CYS A 78 -31.218 2.790 -21.656 1.00 31.20 O ATOM 1230 CB CYS A 78 -32.060 -0.746 -22.073 1.00 51.20 C ATOM 1231 SG CYS A 78 -31.599 -1.704 -23.535 1.00 44.24 S ATOM 0 H CYS A 78 -30.920 0.985 -19.739 1.00 5.11 H new ATOM 0 HA CYS A 78 -30.242 0.346 -22.419 1.00 71.20 H new ATOM 0 HB2 CYS A 78 -32.119 -1.417 -21.216 1.00 51.20 H new ATOM 0 HB3 CYS A 78 -33.057 -0.332 -22.223 1.00 51.20 H new ATOM 0 HG CYS A 78 -32.474 -2.645 -23.731 1.00 44.24 H new TER 1237 CYS A 78