USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 955 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 98 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 102 GLN : amide:sc= -0.0143 X(o=-0.014,f=-0.43) USER MOD Set 2.1: A 77 CYS SG : rot 73:sc= 1.63 USER MOD Set 2.2: A 100 TYR OH : rot 109:sc= 1.02 USER MOD Set 3.1: A 39 CYS SG : rot -170:sc= -7.3! USER MOD Set 3.2: A 63 ASN : amide:sc= -8.63! C(o=-16!,f=-20!) USER MOD Set 4.1: A 20 TYR OH : rot -12:sc= -1.98! USER MOD Set 4.2: A 43 HIS : no HD1:sc= -2.43! C(o=-4.4!,f=-20!) USER MOD Set 5.1: A 22 HIS : no HE2:sc= -1.69! C(o=-3.1!,f=-11!) USER MOD Set 5.2: A 36 MET CE :methyl 162:sc= 0 (180deg=0) USER MOD Set 5.3: A 52 TYR OH : rot -140:sc= -1.42 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.13 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0024 USER MOD Single : A 6 LYS NZ :NH3+ -120:sc= -0.424 (180deg=-1.93!) USER MOD Single : A 7 ASN : amide:sc= -1.25 K(o=-1.2,f=-2.3!) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 11:sc= 1.67 USER MOD Single : A 16 MET CE :methyl -171:sc= -1.47 (180deg=-1.81) USER MOD Single : A 17 THR OG1 : rot 77:sc= 0.633! USER MOD Single : A 19 ASN : amide:sc= -0.28 K(o=-0.28,f=-1.9!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -1.11 X(o=-1.1,f=-0.84) USER MOD Single : A 29 SER OG : rot 180:sc= 0.147 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -95:sc= 0.312 USER MOD Single : A 33 SER OG : rot -105:sc= 1.02 USER MOD Single : A 34 SER OG : rot 161:sc= -1.67 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 159:sc= -0.133 (180deg=-0.924) USER MOD Single : A 62 HIS : no HD1:sc= -0.0549 X(o=-0.055,f=-0.005) USER MOD Single : A 65 THR OG1 : rot 82:sc= -1.51! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 72:sc= 0.927 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.0088) USER MOD Single : A 86 MET CE :methyl -162:sc= 0 (180deg=-0.0849) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 CYS SG : rot 180:sc= -0.605 USER MOD Single : A 99 THR OG1 : rot 93:sc= 0.793 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 LYS NZ :NH3+ -169:sc= -0.0018 (180deg=-0.195) USER MOD Single : A 115 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0225) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.0395 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0413) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.328 19.270 5.935 1.00 0.00 N ATOM 2 CA GLY A 1 4.232 20.268 5.785 1.00 0.00 C ATOM 3 C GLY A 1 3.298 20.180 6.988 1.00 0.00 C ATOM 4 O GLY A 1 3.626 19.554 7.996 1.00 0.00 O ATOM 0 H1 GLY A 1 6.247 19.748 5.848 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.260 18.817 6.869 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.243 18.547 5.193 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.648 21.272 5.707 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.677 20.080 4.866 1.00 0.00 H new ATOM 10 N PRO A 2 2.147 20.793 6.901 1.00 0.00 N ATOM 11 CA PRO A 2 1.151 20.772 8.002 1.00 0.00 C ATOM 12 C PRO A 2 0.539 19.380 8.128 1.00 0.00 C ATOM 13 O PRO A 2 -0.035 19.021 9.155 1.00 0.00 O ATOM 14 CB PRO A 2 0.088 21.827 7.605 1.00 0.00 C ATOM 15 CG PRO A 2 0.510 22.398 6.270 1.00 0.00 C ATOM 16 CD PRO A 2 1.682 21.555 5.740 1.00 0.00 C ATOM 0 HA PRO A 2 1.592 21.002 8.972 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -0.900 21.372 7.535 1.00 0.00 H new ATOM 0 HB3 PRO A 2 0.024 22.613 8.358 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -0.323 22.377 5.567 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.809 23.440 6.379 1.00 0.00 H new ATOM 0 HD2 PRO A 2 1.362 20.894 4.935 1.00 0.00 H new ATOM 0 HD3 PRO A 2 2.474 22.187 5.338 1.00 0.00 H new ATOM 24 N LEU A 3 0.667 18.614 7.053 1.00 0.00 N ATOM 25 CA LEU A 3 0.130 17.266 7.008 1.00 0.00 C ATOM 26 C LEU A 3 0.991 16.311 7.829 1.00 0.00 C ATOM 27 O LEU A 3 0.556 15.214 8.179 1.00 0.00 O ATOM 28 CB LEU A 3 0.056 16.798 5.548 1.00 0.00 C ATOM 29 CG LEU A 3 -1.049 17.576 4.811 1.00 0.00 C ATOM 30 CD1 LEU A 3 -0.917 17.388 3.284 1.00 0.00 C ATOM 31 CD2 LEU A 3 -2.430 17.076 5.282 1.00 0.00 C ATOM 0 H LEU A 3 1.141 18.907 6.198 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.871 17.269 7.440 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.016 16.956 5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.150 15.728 5.509 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.946 18.637 5.039 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -1.706 17.945 2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.055 17.756 2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.006 16.330 3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.213 17.626 4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.526 16.013 5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.528 17.235 6.356 1.00 0.00 H new ATOM 43 N GLY A 4 2.215 16.739 8.130 1.00 0.00 N ATOM 44 CA GLY A 4 3.138 15.916 8.913 1.00 0.00 C ATOM 45 C GLY A 4 4.018 15.074 7.999 1.00 0.00 C ATOM 46 O GLY A 4 3.723 14.909 6.818 1.00 0.00 O ATOM 0 H GLY A 4 2.590 17.644 7.847 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.761 16.555 9.538 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.575 15.266 9.583 1.00 0.00 H new ATOM 50 N SER A 5 5.101 14.546 8.558 1.00 0.00 N ATOM 51 CA SER A 5 6.028 13.726 7.787 1.00 0.00 C ATOM 52 C SER A 5 5.265 12.723 6.932 1.00 0.00 C ATOM 53 O SER A 5 5.660 12.423 5.803 1.00 0.00 O ATOM 54 CB SER A 5 6.965 12.980 8.735 1.00 0.00 C ATOM 55 OG SER A 5 6.195 12.154 9.598 1.00 0.00 O ATOM 0 H SER A 5 5.358 14.670 9.537 1.00 0.00 H new ATOM 0 HA SER A 5 6.610 14.376 7.133 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.671 12.374 8.166 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.552 13.689 9.319 1.00 0.00 H new ATOM 0 HG SER A 5 6.792 11.672 10.207 1.00 0.00 H new ATOM 61 N LYS A 6 4.171 12.209 7.476 1.00 0.00 N ATOM 62 CA LYS A 6 3.351 11.241 6.761 1.00 0.00 C ATOM 63 C LYS A 6 2.946 11.783 5.394 1.00 0.00 C ATOM 64 O LYS A 6 2.363 11.071 4.578 1.00 0.00 O ATOM 65 CB LYS A 6 2.103 10.915 7.580 1.00 0.00 C ATOM 66 CG LYS A 6 1.391 9.708 6.964 1.00 0.00 C ATOM 67 CD LYS A 6 0.312 9.193 7.923 1.00 0.00 C ATOM 68 CE LYS A 6 -0.809 10.231 8.074 1.00 0.00 C ATOM 69 NZ LYS A 6 -0.487 11.143 9.207 1.00 0.00 N ATOM 0 H LYS A 6 3.831 12.445 8.408 1.00 0.00 H new ATOM 0 HA LYS A 6 3.936 10.333 6.614 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.378 10.701 8.613 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.433 11.775 7.600 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.940 9.988 6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.112 8.917 6.755 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.099 8.256 7.548 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.753 8.981 8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.918 10.802 7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.761 9.731 8.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.237 11.083 9.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.421 10.864 9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.420 12.120 8.858 1.00 0.00 H new ATOM 83 N ASN A 7 3.270 13.045 5.148 1.00 0.00 N ATOM 84 CA ASN A 7 2.948 13.668 3.875 1.00 0.00 C ATOM 85 C ASN A 7 3.779 13.040 2.763 1.00 0.00 C ATOM 86 O ASN A 7 3.292 12.815 1.656 1.00 0.00 O ATOM 87 CB ASN A 7 3.228 15.169 3.943 1.00 0.00 C ATOM 88 CG ASN A 7 2.647 15.864 2.717 1.00 0.00 C ATOM 89 OD1 ASN A 7 2.340 15.212 1.720 1.00 0.00 O ATOM 90 ND2 ASN A 7 2.476 17.158 2.732 1.00 0.00 N ATOM 0 H ASN A 7 3.753 13.653 5.810 1.00 0.00 H new ATOM 0 HA ASN A 7 1.890 13.511 3.663 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.791 15.588 4.850 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.302 15.345 3.996 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.087 17.631 1.916 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.731 17.697 3.560 1.00 0.00 H new ATOM 97 N MET A 8 5.039 12.760 3.074 1.00 0.00 N ATOM 98 CA MET A 8 5.945 12.164 2.103 1.00 0.00 C ATOM 99 C MET A 8 5.367 10.860 1.567 1.00 0.00 C ATOM 100 O MET A 8 5.332 10.635 0.357 1.00 0.00 O ATOM 101 CB MET A 8 7.296 11.892 2.780 1.00 0.00 C ATOM 102 CG MET A 8 8.263 11.207 1.806 1.00 0.00 C ATOM 103 SD MET A 8 8.536 12.268 0.366 1.00 0.00 S ATOM 104 CE MET A 8 9.210 10.990 -0.724 1.00 0.00 C ATOM 0 H MET A 8 5.455 12.936 3.989 1.00 0.00 H new ATOM 0 HA MET A 8 6.079 12.852 1.268 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.728 12.829 3.130 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.148 11.262 3.657 1.00 0.00 H new ATOM 0 HG2 MET A 8 9.211 11.003 2.304 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.856 10.247 1.490 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.455 11.429 -1.691 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.111 10.569 -0.278 1.00 0.00 H new ATOM 0 HE3 MET A 8 8.470 10.201 -0.860 1.00 0.00 H new ATOM 114 N LEU A 9 4.910 10.011 2.479 1.00 0.00 N ATOM 115 CA LEU A 9 4.335 8.734 2.109 1.00 0.00 C ATOM 116 C LEU A 9 3.071 8.938 1.298 1.00 0.00 C ATOM 117 O LEU A 9 2.870 8.297 0.270 1.00 0.00 O ATOM 118 CB LEU A 9 3.991 7.960 3.378 1.00 0.00 C ATOM 119 CG LEU A 9 5.266 7.531 4.090 1.00 0.00 C ATOM 120 CD1 LEU A 9 4.905 7.002 5.479 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.000 6.436 3.288 1.00 0.00 C ATOM 0 H LEU A 9 4.929 10.189 3.483 1.00 0.00 H new ATOM 0 HA LEU A 9 5.056 8.180 1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.387 8.581 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.392 7.084 3.128 1.00 0.00 H new ATOM 0 HG LEU A 9 5.930 8.391 4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.812 6.692 5.997 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.411 7.788 6.051 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.234 6.149 5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.908 6.145 3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.350 5.568 3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.261 6.820 2.302 1.00 0.00 H new ATOM 133 N LEU A 10 2.221 9.834 1.778 1.00 0.00 N ATOM 134 CA LEU A 10 0.962 10.104 1.100 1.00 0.00 C ATOM 135 C LEU A 10 1.237 10.599 -0.314 1.00 0.00 C ATOM 136 O LEU A 10 0.632 10.133 -1.280 1.00 0.00 O ATOM 137 CB LEU A 10 0.148 11.152 1.898 1.00 0.00 C ATOM 138 CG LEU A 10 -1.183 11.472 1.190 1.00 0.00 C ATOM 139 CD1 LEU A 10 -2.015 10.190 1.030 1.00 0.00 C ATOM 140 CD2 LEU A 10 -1.974 12.511 2.011 1.00 0.00 C ATOM 0 H LEU A 10 2.377 10.381 2.625 1.00 0.00 H new ATOM 0 HA LEU A 10 0.377 9.186 1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.051 10.776 2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.733 12.065 2.010 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.971 11.882 0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.954 10.426 0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.458 9.466 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.225 9.767 2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.914 12.734 1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.181 12.110 3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.387 13.425 2.104 1.00 0.00 H new ATOM 152 N GLU A 11 2.162 11.531 -0.418 1.00 0.00 N ATOM 153 CA GLU A 11 2.539 12.104 -1.706 1.00 0.00 C ATOM 154 C GLU A 11 3.007 11.005 -2.644 1.00 0.00 C ATOM 155 O GLU A 11 2.625 10.923 -3.811 1.00 0.00 O ATOM 156 CB GLU A 11 3.694 13.066 -1.470 1.00 0.00 C ATOM 157 CG GLU A 11 3.935 13.904 -2.718 1.00 0.00 C ATOM 158 CD GLU A 11 5.054 14.905 -2.466 1.00 0.00 C ATOM 159 OE1 GLU A 11 4.968 15.624 -1.485 1.00 0.00 O ATOM 160 OE2 GLU A 11 5.982 14.934 -3.255 1.00 0.00 O ATOM 0 H GLU A 11 2.673 11.914 0.377 1.00 0.00 H new ATOM 0 HA GLU A 11 1.685 12.615 -2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.471 13.715 -0.623 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.596 12.509 -1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.197 13.257 -3.555 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.021 14.430 -2.995 1.00 0.00 H new ATOM 167 N TRP A 12 3.854 10.187 -2.069 1.00 0.00 N ATOM 168 CA TRP A 12 4.474 9.057 -2.723 1.00 0.00 C ATOM 169 C TRP A 12 3.441 7.977 -3.058 1.00 0.00 C ATOM 170 O TRP A 12 3.178 7.699 -4.228 1.00 0.00 O ATOM 171 CB TRP A 12 5.493 8.571 -1.703 1.00 0.00 C ATOM 172 CG TRP A 12 6.330 7.443 -2.176 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.382 7.531 -3.014 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.243 6.065 -1.761 1.00 0.00 C ATOM 175 NE1 TRP A 12 7.943 6.273 -3.150 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.269 5.331 -2.393 1.00 0.00 C ATOM 177 CE3 TRP A 12 5.367 5.393 -0.904 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.424 3.963 -2.175 1.00 0.00 C ATOM 179 CZ3 TRP A 12 5.514 4.014 -0.678 1.00 0.00 C ATOM 180 CH2 TRP A 12 6.543 3.301 -1.314 1.00 0.00 C ATOM 0 H TRP A 12 4.142 10.293 -1.096 1.00 0.00 H new ATOM 0 HA TRP A 12 4.932 9.313 -3.678 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.143 9.402 -1.430 1.00 0.00 H new ATOM 0 HB3 TRP A 12 4.968 8.266 -0.798 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.729 8.432 -3.498 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.752 6.066 -3.735 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.573 5.936 -0.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 8.217 3.419 -2.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.834 3.501 -0.014 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.654 2.241 -1.138 1.00 0.00 H new ATOM 191 N CYS A 13 2.851 7.382 -2.028 1.00 0.00 N ATOM 192 CA CYS A 13 1.848 6.336 -2.225 1.00 0.00 C ATOM 193 C CYS A 13 0.762 6.791 -3.209 1.00 0.00 C ATOM 194 O CYS A 13 0.437 6.088 -4.164 1.00 0.00 O ATOM 195 CB CYS A 13 1.213 6.007 -0.866 1.00 0.00 C ATOM 196 SG CYS A 13 2.240 4.803 0.010 1.00 0.00 S ATOM 0 H CYS A 13 3.047 7.603 -1.052 1.00 0.00 H new ATOM 0 HA CYS A 13 2.330 5.453 -2.644 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.112 6.915 -0.271 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.209 5.607 -1.010 1.00 0.00 H new ATOM 0 HG CYS A 13 3.379 4.675 -0.604 1.00 0.00 H new ATOM 202 N ARG A 14 0.217 7.967 -2.948 1.00 0.00 N ATOM 203 CA ARG A 14 -0.843 8.529 -3.793 1.00 0.00 C ATOM 204 C ARG A 14 -0.349 8.707 -5.218 1.00 0.00 C ATOM 205 O ARG A 14 -1.004 8.313 -6.180 1.00 0.00 O ATOM 206 CB ARG A 14 -1.260 9.894 -3.257 1.00 0.00 C ATOM 207 CG ARG A 14 -2.461 10.419 -4.052 1.00 0.00 C ATOM 208 CD ARG A 14 -2.925 11.753 -3.462 1.00 0.00 C ATOM 209 NE ARG A 14 -4.052 12.283 -4.226 1.00 0.00 N ATOM 210 CZ ARG A 14 -4.382 13.571 -4.165 1.00 0.00 C ATOM 211 NH1 ARG A 14 -5.045 14.029 -3.137 1.00 0.00 N ATOM 212 NH2 ARG A 14 -4.044 14.378 -5.133 1.00 0.00 N ATOM 0 H ARG A 14 0.485 8.557 -2.160 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.689 7.841 -3.781 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.517 9.817 -2.201 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.428 10.594 -3.332 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.188 10.549 -5.099 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.275 9.694 -4.022 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.216 11.616 -2.421 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.102 12.468 -3.472 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.596 11.654 -4.817 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.310 13.399 -2.380 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.297 15.016 -3.092 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.527 14.022 -5.937 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.297 15.365 -5.086 1.00 0.00 H new ATOM 226 N ALA A 15 0.812 9.314 -5.330 1.00 0.00 N ATOM 227 CA ALA A 15 1.411 9.579 -6.636 1.00 0.00 C ATOM 228 C ALA A 15 1.546 8.302 -7.463 1.00 0.00 C ATOM 229 O ALA A 15 1.349 8.319 -8.678 1.00 0.00 O ATOM 230 CB ALA A 15 2.791 10.210 -6.451 1.00 0.00 C ATOM 0 H ALA A 15 1.367 9.637 -4.537 1.00 0.00 H new ATOM 0 HA ALA A 15 0.753 10.263 -7.172 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.235 10.406 -7.427 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.692 11.147 -5.902 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.431 9.528 -5.892 1.00 0.00 H new ATOM 236 N MET A 16 1.892 7.209 -6.803 1.00 0.00 N ATOM 237 CA MET A 16 2.066 5.923 -7.479 1.00 0.00 C ATOM 238 C MET A 16 0.745 5.155 -7.527 1.00 0.00 C ATOM 239 O MET A 16 0.683 4.045 -8.059 1.00 0.00 O ATOM 240 CB MET A 16 3.139 5.113 -6.741 1.00 0.00 C ATOM 241 CG MET A 16 4.529 5.496 -7.272 1.00 0.00 C ATOM 242 SD MET A 16 4.740 7.297 -7.220 1.00 0.00 S ATOM 243 CE MET A 16 5.775 7.376 -5.736 1.00 0.00 C ATOM 0 H MET A 16 2.059 7.181 -5.797 1.00 0.00 H new ATOM 0 HA MET A 16 2.385 6.094 -8.507 1.00 0.00 H new ATOM 0 HB2 MET A 16 3.082 5.306 -5.670 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.966 4.046 -6.883 1.00 0.00 H new ATOM 0 HG2 MET A 16 5.301 5.014 -6.673 1.00 0.00 H new ATOM 0 HG3 MET A 16 4.648 5.137 -8.294 1.00 0.00 H new ATOM 0 HE1 MET A 16 5.892 8.415 -5.429 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.302 6.811 -4.932 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.754 6.949 -5.952 1.00 0.00 H new ATOM 253 N THR A 17 -0.306 5.749 -6.955 1.00 0.00 N ATOM 254 CA THR A 17 -1.625 5.114 -6.923 1.00 0.00 C ATOM 255 C THR A 17 -2.568 5.740 -7.949 1.00 0.00 C ATOM 256 O THR A 17 -3.679 5.257 -8.154 1.00 0.00 O ATOM 257 CB THR A 17 -2.235 5.257 -5.530 1.00 0.00 C ATOM 258 OG1 THR A 17 -1.362 4.686 -4.569 1.00 0.00 O ATOM 259 CG2 THR A 17 -3.584 4.540 -5.480 1.00 0.00 C ATOM 0 H THR A 17 -0.269 6.666 -6.509 1.00 0.00 H new ATOM 0 HA THR A 17 -1.495 4.060 -7.169 1.00 0.00 H new ATOM 0 HB THR A 17 -2.380 6.314 -5.309 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.616 5.298 -4.400 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.015 4.645 -4.484 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.258 4.980 -6.215 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.443 3.483 -5.705 1.00 0.00 H new ATOM 267 N ARG A 18 -2.112 6.799 -8.601 1.00 0.00 N ATOM 268 CA ARG A 18 -2.908 7.463 -9.630 1.00 0.00 C ATOM 269 C ARG A 18 -3.105 6.526 -10.818 1.00 0.00 C ATOM 270 O ARG A 18 -4.210 6.369 -11.344 1.00 0.00 O ATOM 271 CB ARG A 18 -2.171 8.721 -10.069 1.00 0.00 C ATOM 272 CG ARG A 18 -2.277 9.763 -8.957 1.00 0.00 C ATOM 273 CD ARG A 18 -1.510 11.019 -9.353 1.00 0.00 C ATOM 274 NE ARG A 18 -2.101 11.599 -10.551 1.00 0.00 N ATOM 275 CZ ARG A 18 -3.116 12.449 -10.471 1.00 0.00 C ATOM 276 NH1 ARG A 18 -2.886 13.720 -10.297 1.00 0.00 N ATOM 277 NH2 ARG A 18 -4.340 12.009 -10.561 1.00 0.00 N ATOM 0 H ARG A 18 -1.197 7.219 -8.438 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.889 7.727 -9.235 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.125 8.494 -10.276 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.601 9.108 -10.992 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.323 10.007 -8.773 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.876 9.359 -8.028 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.533 11.742 -8.538 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.463 10.775 -9.534 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.728 11.347 -11.467 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.927 14.059 -10.223 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.665 14.375 -10.235 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.515 11.013 -10.693 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.122 12.661 -10.500 1.00 0.00 H new ATOM 291 N ASN A 19 -2.000 5.909 -11.218 1.00 0.00 N ATOM 292 CA ASN A 19 -1.998 4.971 -12.335 1.00 0.00 C ATOM 293 C ASN A 19 -3.087 3.928 -12.140 1.00 0.00 C ATOM 294 O ASN A 19 -3.640 3.394 -13.101 1.00 0.00 O ATOM 295 CB ASN A 19 -0.642 4.268 -12.427 1.00 0.00 C ATOM 296 CG ASN A 19 0.430 5.250 -12.886 1.00 0.00 C ATOM 297 OD1 ASN A 19 0.112 6.302 -13.439 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.689 4.966 -12.692 1.00 0.00 N ATOM 0 H ASN A 19 -1.087 6.042 -10.782 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.184 5.525 -13.255 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.373 3.852 -11.456 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.704 3.433 -13.125 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.412 5.617 -12.999 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.950 4.093 -12.233 1.00 0.00 H new ATOM 305 N TYR A 20 -3.377 3.641 -10.877 1.00 0.00 N ATOM 306 CA TYR A 20 -4.386 2.657 -10.518 1.00 0.00 C ATOM 307 C TYR A 20 -5.720 3.328 -10.200 1.00 0.00 C ATOM 308 O TYR A 20 -5.913 3.854 -9.111 1.00 0.00 O ATOM 309 CB TYR A 20 -3.898 1.881 -9.295 1.00 0.00 C ATOM 310 CG TYR A 20 -2.723 1.019 -9.694 1.00 0.00 C ATOM 311 CD1 TYR A 20 -2.914 -0.057 -10.565 1.00 0.00 C ATOM 312 CD2 TYR A 20 -1.450 1.289 -9.184 1.00 0.00 C ATOM 313 CE1 TYR A 20 -1.832 -0.866 -10.928 1.00 0.00 C ATOM 314 CE2 TYR A 20 -0.365 0.483 -9.547 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.554 -0.595 -10.419 1.00 0.00 C ATOM 316 OH TYR A 20 0.514 -1.393 -10.774 1.00 0.00 O ATOM 0 H TYR A 20 -2.921 4.082 -10.078 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.540 1.984 -11.361 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.607 2.571 -8.503 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.702 1.261 -8.898 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.898 -0.264 -10.958 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.304 2.120 -8.510 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.981 -1.699 -11.600 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.619 0.693 -9.154 1.00 0.00 H new ATOM 0 HH TYR A 20 0.185 -2.201 -11.221 1.00 0.00 H new ATOM 326 N GLU A 21 -6.626 3.323 -11.167 1.00 0.00 N ATOM 327 CA GLU A 21 -7.944 3.935 -10.984 1.00 0.00 C ATOM 328 C GLU A 21 -8.759 3.146 -9.971 1.00 0.00 C ATOM 329 O GLU A 21 -8.274 2.175 -9.399 1.00 0.00 O ATOM 330 CB GLU A 21 -8.696 3.954 -12.315 1.00 0.00 C ATOM 331 CG GLU A 21 -8.317 2.717 -13.134 1.00 0.00 C ATOM 332 CD GLU A 21 -8.427 1.465 -12.270 1.00 0.00 C ATOM 333 OE1 GLU A 21 -9.537 1.119 -11.901 1.00 0.00 O ATOM 334 OE2 GLU A 21 -7.397 0.879 -11.980 1.00 0.00 O ATOM 0 H GLU A 21 -6.478 2.905 -12.085 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.803 4.953 -10.621 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.771 3.970 -12.137 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.451 4.860 -12.870 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.973 2.630 -14.000 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.300 2.819 -13.513 1.00 0.00 H new ATOM 341 N HIS A 22 -10.001 3.582 -9.754 1.00 0.00 N ATOM 342 CA HIS A 22 -10.881 2.919 -8.801 1.00 0.00 C ATOM 343 C HIS A 22 -10.262 3.019 -7.407 1.00 0.00 C ATOM 344 O HIS A 22 -10.822 2.562 -6.415 1.00 0.00 O ATOM 345 CB HIS A 22 -11.086 1.444 -9.227 1.00 0.00 C ATOM 346 CG HIS A 22 -12.102 0.759 -8.349 1.00 0.00 C ATOM 347 ND1 HIS A 22 -11.965 0.699 -6.977 1.00 0.00 N ATOM 348 CD2 HIS A 22 -13.253 0.069 -8.639 1.00 0.00 C ATOM 349 CE1 HIS A 22 -13.003 0.000 -6.492 1.00 0.00 C ATOM 350 NE2 HIS A 22 -13.821 -0.410 -7.462 1.00 0.00 N ATOM 0 H HIS A 22 -10.415 4.387 -10.224 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.859 3.400 -8.782 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.414 1.405 -10.266 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.136 0.912 -9.172 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -11.210 1.112 -6.430 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.656 -0.080 -9.630 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.157 -0.206 -5.443 1.00 0.00 H new ATOM 358 N VAL A 23 -9.088 3.643 -7.351 1.00 0.00 N ATOM 359 CA VAL A 23 -8.356 3.820 -6.103 1.00 0.00 C ATOM 360 C VAL A 23 -7.973 5.287 -5.929 1.00 0.00 C ATOM 361 O VAL A 23 -7.431 5.908 -6.840 1.00 0.00 O ATOM 362 CB VAL A 23 -7.092 2.952 -6.153 1.00 0.00 C ATOM 363 CG1 VAL A 23 -6.283 3.104 -4.867 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.488 1.484 -6.338 1.00 0.00 C ATOM 0 H VAL A 23 -8.620 4.038 -8.167 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.979 3.522 -5.260 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.477 3.278 -6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.391 2.480 -4.923 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.990 4.146 -4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.890 2.794 -4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.590 0.867 -6.374 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.113 1.168 -5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.043 1.371 -7.269 1.00 0.00 H new ATOM 374 N ASP A 24 -8.248 5.823 -4.746 1.00 0.00 N ATOM 375 CA ASP A 24 -7.921 7.217 -4.431 1.00 0.00 C ATOM 376 C ASP A 24 -7.563 7.340 -2.956 1.00 0.00 C ATOM 377 O ASP A 24 -8.416 7.173 -2.086 1.00 0.00 O ATOM 378 CB ASP A 24 -9.105 8.122 -4.757 1.00 0.00 C ATOM 379 CG ASP A 24 -8.661 9.580 -4.735 1.00 0.00 C ATOM 380 OD1 ASP A 24 -7.581 9.856 -5.232 1.00 0.00 O ATOM 381 OD2 ASP A 24 -9.406 10.397 -4.221 1.00 0.00 O ATOM 0 H ASP A 24 -8.698 5.316 -3.984 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.067 7.526 -5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.508 7.870 -5.738 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.905 7.965 -4.033 1.00 0.00 H new ATOM 386 N ILE A 25 -6.292 7.603 -2.677 1.00 0.00 N ATOM 387 CA ILE A 25 -5.826 7.698 -1.296 1.00 0.00 C ATOM 388 C ILE A 25 -6.081 9.076 -0.676 1.00 0.00 C ATOM 389 O ILE A 25 -5.277 9.999 -0.808 1.00 0.00 O ATOM 390 CB ILE A 25 -4.337 7.335 -1.246 1.00 0.00 C ATOM 391 CG1 ILE A 25 -4.175 5.927 -1.840 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.846 7.337 0.207 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.703 5.494 -1.816 1.00 0.00 C ATOM 0 H ILE A 25 -5.570 7.753 -3.381 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.400 6.992 -0.695 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.753 8.061 -1.812 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.777 5.217 -1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.546 5.914 -2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.788 7.078 0.234 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.988 8.328 0.638 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.413 6.606 0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.611 4.494 -2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.108 6.194 -2.403 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.343 5.485 -0.787 1.00 0.00 H new ATOM 405 N GLN A 26 -7.214 9.171 0.029 1.00 0.00 N ATOM 406 CA GLN A 26 -7.610 10.398 0.727 1.00 0.00 C ATOM 407 C GLN A 26 -7.119 10.329 2.167 1.00 0.00 C ATOM 408 O GLN A 26 -6.894 11.348 2.821 1.00 0.00 O ATOM 409 CB GLN A 26 -9.135 10.552 0.709 1.00 0.00 C ATOM 410 CG GLN A 26 -9.598 10.888 -0.708 1.00 0.00 C ATOM 411 CD GLN A 26 -11.120 10.902 -0.763 1.00 0.00 C ATOM 412 OE1 GLN A 26 -11.747 11.894 -0.395 1.00 0.00 O ATOM 413 NE2 GLN A 26 -11.758 9.854 -1.209 1.00 0.00 N ATOM 0 H GLN A 26 -7.878 8.404 0.131 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.168 11.258 0.224 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.608 9.630 1.048 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.440 11.339 1.399 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.205 11.859 -1.008 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.206 10.154 -1.412 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.237 9.032 -1.514 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.777 9.858 -1.252 1.00 0.00 H new ATOM 422 N ASN A 27 -6.940 9.103 2.636 1.00 0.00 N ATOM 423 CA ASN A 27 -6.452 8.851 3.979 1.00 0.00 C ATOM 424 C ASN A 27 -5.718 7.525 3.976 1.00 0.00 C ATOM 425 O ASN A 27 -5.486 6.937 2.917 1.00 0.00 O ATOM 426 CB ASN A 27 -7.610 8.805 4.986 1.00 0.00 C ATOM 427 CG ASN A 27 -8.285 10.169 5.081 1.00 0.00 C ATOM 428 OD1 ASN A 27 -9.471 10.296 4.777 1.00 0.00 O ATOM 429 ND2 ASN A 27 -7.603 11.202 5.495 1.00 0.00 N ATOM 0 H ASN A 27 -7.129 8.259 2.096 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.783 9.658 4.279 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.337 8.053 4.680 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.237 8.508 5.966 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.053 12.115 5.567 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.620 11.097 5.747 1.00 0.00 H new ATOM 436 N PHE A 28 -5.342 7.052 5.151 1.00 0.00 N ATOM 437 CA PHE A 28 -4.621 5.789 5.248 1.00 0.00 C ATOM 438 C PHE A 28 -5.541 4.689 5.752 1.00 0.00 C ATOM 439 O PHE A 28 -5.191 3.509 5.733 1.00 0.00 O ATOM 440 CB PHE A 28 -3.434 5.959 6.197 1.00 0.00 C ATOM 441 CG PHE A 28 -2.327 6.706 5.491 1.00 0.00 C ATOM 442 CD1 PHE A 28 -2.304 8.105 5.498 1.00 0.00 C ATOM 443 CD2 PHE A 28 -1.324 5.995 4.822 1.00 0.00 C ATOM 444 CE1 PHE A 28 -1.281 8.791 4.838 1.00 0.00 C ATOM 445 CE2 PHE A 28 -0.302 6.681 4.161 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.280 8.079 4.169 1.00 0.00 C ATOM 0 H PHE A 28 -5.520 7.514 6.043 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.260 5.505 4.259 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.743 6.504 7.089 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.076 4.984 6.527 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.077 8.655 6.014 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.340 4.915 4.817 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.263 9.871 4.844 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.471 6.132 3.644 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.510 8.609 3.658 1.00 0.00 H new ATOM 456 N SER A 29 -6.705 5.096 6.234 1.00 0.00 N ATOM 457 CA SER A 29 -7.684 4.158 6.795 1.00 0.00 C ATOM 458 C SER A 29 -8.863 3.902 5.857 1.00 0.00 C ATOM 459 O SER A 29 -9.008 2.816 5.295 1.00 0.00 O ATOM 460 CB SER A 29 -8.216 4.736 8.104 1.00 0.00 C ATOM 461 OG SER A 29 -8.719 6.046 7.868 1.00 0.00 O ATOM 0 H SER A 29 -7.002 6.072 6.251 1.00 0.00 H new ATOM 0 HA SER A 29 -7.177 3.206 6.950 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.004 4.098 8.503 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.422 4.767 8.850 1.00 0.00 H new ATOM 0 HG SER A 29 -9.063 6.420 8.706 1.00 0.00 H new ATOM 467 N SER A 30 -9.712 4.904 5.718 1.00 0.00 N ATOM 468 CA SER A 30 -10.903 4.793 4.875 1.00 0.00 C ATOM 469 C SER A 30 -10.554 4.525 3.421 1.00 0.00 C ATOM 470 O SER A 30 -11.207 3.720 2.757 1.00 0.00 O ATOM 471 CB SER A 30 -11.720 6.079 4.956 1.00 0.00 C ATOM 472 OG SER A 30 -12.646 6.112 3.878 1.00 0.00 O ATOM 0 H SER A 30 -9.604 5.809 6.177 1.00 0.00 H new ATOM 0 HA SER A 30 -11.481 3.948 5.248 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.249 6.129 5.908 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.061 6.946 4.912 1.00 0.00 H new ATOM 0 HG SER A 30 -13.175 6.936 3.926 1.00 0.00 H new ATOM 478 N SER A 31 -9.549 5.215 2.916 1.00 0.00 N ATOM 479 CA SER A 31 -9.163 5.047 1.526 1.00 0.00 C ATOM 480 C SER A 31 -8.510 3.685 1.305 1.00 0.00 C ATOM 481 O SER A 31 -8.101 3.356 0.192 1.00 0.00 O ATOM 482 CB SER A 31 -8.198 6.157 1.120 1.00 0.00 C ATOM 483 OG SER A 31 -6.875 5.639 1.105 1.00 0.00 O ATOM 0 H SER A 31 -8.990 5.889 3.439 1.00 0.00 H new ATOM 0 HA SER A 31 -10.060 5.102 0.909 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.462 6.543 0.136 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.268 6.991 1.819 1.00 0.00 H new ATOM 0 HG SER A 31 -6.439 5.829 1.962 1.00 0.00 H new ATOM 489 N TRP A 32 -8.404 2.898 2.373 1.00 0.00 N ATOM 490 CA TRP A 32 -7.790 1.572 2.299 1.00 0.00 C ATOM 491 C TRP A 32 -8.813 0.462 2.544 1.00 0.00 C ATOM 492 O TRP A 32 -8.486 -0.719 2.444 1.00 0.00 O ATOM 493 CB TRP A 32 -6.702 1.498 3.359 1.00 0.00 C ATOM 494 CG TRP A 32 -5.558 2.342 2.947 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.602 3.683 2.817 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.208 1.934 2.614 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.361 4.126 2.414 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.464 3.084 2.281 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.569 0.689 2.565 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.122 3.000 1.919 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.219 0.601 2.195 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.497 1.754 1.874 1.00 0.00 C ATOM 0 H TRP A 32 -8.736 3.155 3.303 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.379 1.427 1.300 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.091 1.836 4.319 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.378 0.466 3.492 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.465 4.306 2.998 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.133 5.104 2.236 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.118 -0.207 2.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.568 3.894 1.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.734 -0.363 2.158 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.457 1.680 1.592 1.00 0.00 H new ATOM 513 N SER A 33 -10.042 0.838 2.882 1.00 0.00 N ATOM 514 CA SER A 33 -11.078 -0.144 3.158 1.00 0.00 C ATOM 515 C SER A 33 -11.395 -0.982 1.924 1.00 0.00 C ATOM 516 O SER A 33 -12.195 -1.913 1.991 1.00 0.00 O ATOM 517 CB SER A 33 -12.347 0.567 3.620 1.00 0.00 C ATOM 518 OG SER A 33 -12.114 1.180 4.880 1.00 0.00 O ATOM 0 H SER A 33 -10.341 1.809 2.970 1.00 0.00 H new ATOM 0 HA SER A 33 -10.711 -0.809 3.940 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.643 1.318 2.887 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.169 -0.145 3.696 1.00 0.00 H new ATOM 0 HG SER A 33 -12.556 0.660 5.583 1.00 0.00 H new ATOM 524 N SER A 34 -10.780 -0.645 0.792 1.00 0.00 N ATOM 525 CA SER A 34 -11.032 -1.379 -0.450 1.00 0.00 C ATOM 526 C SER A 34 -10.041 -2.522 -0.641 1.00 0.00 C ATOM 527 O SER A 34 -10.316 -3.471 -1.372 1.00 0.00 O ATOM 528 CB SER A 34 -10.918 -0.426 -1.640 1.00 0.00 C ATOM 529 OG SER A 34 -11.601 -0.987 -2.752 1.00 0.00 O ATOM 0 H SER A 34 -10.112 0.121 0.707 1.00 0.00 H new ATOM 0 HA SER A 34 -12.036 -1.799 -0.388 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.345 0.544 -1.387 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.870 -0.258 -1.888 1.00 0.00 H new ATOM 0 HG SER A 34 -11.798 -0.283 -3.404 1.00 0.00 H new ATOM 535 N GLY A 35 -8.870 -2.406 -0.024 1.00 0.00 N ATOM 536 CA GLY A 35 -7.844 -3.429 -0.185 1.00 0.00 C ATOM 537 C GLY A 35 -7.142 -3.215 -1.516 1.00 0.00 C ATOM 538 O GLY A 35 -6.053 -3.731 -1.762 1.00 0.00 O ATOM 0 H GLY A 35 -8.610 -1.628 0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.126 -3.375 0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.293 -4.422 -0.150 1.00 0.00 H new ATOM 542 N MET A 36 -7.790 -2.424 -2.359 1.00 0.00 N ATOM 543 CA MET A 36 -7.269 -2.096 -3.671 1.00 0.00 C ATOM 544 C MET A 36 -5.951 -1.337 -3.545 1.00 0.00 C ATOM 545 O MET A 36 -5.087 -1.429 -4.414 1.00 0.00 O ATOM 546 CB MET A 36 -8.293 -1.233 -4.420 1.00 0.00 C ATOM 547 CG MET A 36 -9.644 -1.956 -4.481 1.00 0.00 C ATOM 548 SD MET A 36 -9.570 -3.288 -5.705 1.00 0.00 S ATOM 549 CE MET A 36 -10.342 -2.383 -7.072 1.00 0.00 C ATOM 0 H MET A 36 -8.691 -1.994 -2.150 1.00 0.00 H new ATOM 0 HA MET A 36 -7.088 -3.018 -4.224 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.408 -0.272 -3.918 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.937 -1.025 -5.429 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.894 -2.363 -3.501 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.433 -1.251 -4.744 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.119 -2.885 -8.013 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.422 -2.352 -6.924 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.951 -1.366 -7.102 1.00 0.00 H new ATOM 559 N ALA A 37 -5.816 -0.569 -2.466 1.00 0.00 N ATOM 560 CA ALA A 37 -4.610 0.217 -2.255 1.00 0.00 C ATOM 561 C ALA A 37 -3.371 -0.668 -2.083 1.00 0.00 C ATOM 562 O ALA A 37 -2.364 -0.466 -2.759 1.00 0.00 O ATOM 563 CB ALA A 37 -4.779 1.114 -1.030 1.00 0.00 C ATOM 0 H ALA A 37 -6.520 -0.477 -1.734 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.459 0.830 -3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.872 1.699 -0.879 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.623 1.787 -1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.964 0.497 -0.150 1.00 0.00 H new ATOM 569 N PHE A 38 -3.441 -1.637 -1.172 1.00 0.00 N ATOM 570 CA PHE A 38 -2.296 -2.517 -0.925 1.00 0.00 C ATOM 571 C PHE A 38 -1.877 -3.245 -2.200 1.00 0.00 C ATOM 572 O PHE A 38 -0.689 -3.329 -2.514 1.00 0.00 O ATOM 573 CB PHE A 38 -2.634 -3.547 0.185 1.00 0.00 C ATOM 574 CG PHE A 38 -2.199 -3.021 1.539 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.833 -2.884 1.815 1.00 0.00 C ATOM 576 CD2 PHE A 38 -3.147 -2.679 2.511 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.413 -2.404 3.060 1.00 0.00 C ATOM 578 CE2 PHE A 38 -2.724 -2.199 3.759 1.00 0.00 C ATOM 579 CZ PHE A 38 -1.358 -2.062 4.031 1.00 0.00 C ATOM 0 H PHE A 38 -4.263 -1.833 -0.600 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.463 -1.897 -0.594 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.706 -3.747 0.192 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.135 -4.493 -0.023 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.102 -3.149 1.065 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.201 -2.785 2.300 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.641 -2.298 3.271 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.453 -1.935 4.511 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.034 -1.692 4.992 1.00 0.00 H new ATOM 589 N CYS A 39 -2.844 -3.780 -2.925 1.00 0.00 N ATOM 590 CA CYS A 39 -2.538 -4.508 -4.150 1.00 0.00 C ATOM 591 C CYS A 39 -2.011 -3.571 -5.235 1.00 0.00 C ATOM 592 O CYS A 39 -1.022 -3.870 -5.903 1.00 0.00 O ATOM 593 CB CYS A 39 -3.799 -5.215 -4.658 1.00 0.00 C ATOM 594 SG CYS A 39 -3.990 -6.802 -3.808 1.00 0.00 S ATOM 0 H CYS A 39 -3.836 -3.727 -2.693 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.764 -5.241 -3.923 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.674 -4.590 -4.483 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.731 -5.373 -5.734 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.929 -7.493 -4.384 1.00 0.00 H new ATOM 600 N ALA A 40 -2.705 -2.455 -5.416 1.00 0.00 N ATOM 601 CA ALA A 40 -2.355 -1.481 -6.444 1.00 0.00 C ATOM 602 C ALA A 40 -0.969 -0.876 -6.231 1.00 0.00 C ATOM 603 O ALA A 40 -0.215 -0.686 -7.188 1.00 0.00 O ATOM 604 CB ALA A 40 -3.391 -0.357 -6.434 1.00 0.00 C ATOM 0 H ALA A 40 -3.521 -2.200 -4.859 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.344 -2.003 -7.401 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.139 0.377 -7.199 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.378 -0.770 -6.639 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.396 0.125 -5.456 1.00 0.00 H new ATOM 610 N LEU A 41 -0.647 -0.558 -4.986 1.00 0.00 N ATOM 611 CA LEU A 41 0.641 0.049 -4.664 1.00 0.00 C ATOM 612 C LEU A 41 1.792 -0.894 -5.028 1.00 0.00 C ATOM 613 O LEU A 41 2.781 -0.480 -5.629 1.00 0.00 O ATOM 614 CB LEU A 41 0.656 0.381 -3.167 1.00 0.00 C ATOM 615 CG LEU A 41 1.997 0.999 -2.746 1.00 0.00 C ATOM 616 CD1 LEU A 41 2.218 2.339 -3.469 1.00 0.00 C ATOM 617 CD2 LEU A 41 1.969 1.232 -1.230 1.00 0.00 C ATOM 0 H LEU A 41 -1.256 -0.709 -4.182 1.00 0.00 H new ATOM 0 HA LEU A 41 0.777 0.962 -5.244 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.154 1.074 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.474 -0.525 -2.589 1.00 0.00 H new ATOM 0 HG LEU A 41 2.811 0.324 -3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.173 2.766 -3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.225 2.174 -4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.413 3.028 -3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.915 1.671 -0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.152 1.910 -0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.820 0.281 -0.718 1.00 0.00 H new ATOM 629 N ILE A 42 1.645 -2.160 -4.668 1.00 0.00 N ATOM 630 CA ILE A 42 2.660 -3.172 -4.967 1.00 0.00 C ATOM 631 C ILE A 42 2.787 -3.426 -6.472 1.00 0.00 C ATOM 632 O ILE A 42 3.895 -3.545 -6.998 1.00 0.00 O ATOM 633 CB ILE A 42 2.289 -4.480 -4.233 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.752 -4.412 -2.765 1.00 0.00 C ATOM 635 CG2 ILE A 42 2.910 -5.712 -4.912 1.00 0.00 C ATOM 636 CD1 ILE A 42 4.296 -4.338 -2.666 1.00 0.00 C ATOM 0 H ILE A 42 0.832 -2.517 -4.167 1.00 0.00 H new ATOM 0 HA ILE A 42 3.627 -2.807 -4.622 1.00 0.00 H new ATOM 0 HB ILE A 42 1.205 -4.583 -4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.312 -3.539 -2.283 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.392 -5.289 -2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.625 -6.611 -4.365 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.550 -5.782 -5.938 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.996 -5.618 -4.914 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.592 -4.291 -1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.733 -5.224 -3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.651 -3.447 -3.183 1.00 0.00 H new ATOM 648 N HIS A 43 1.648 -3.539 -7.145 1.00 0.00 N ATOM 649 CA HIS A 43 1.631 -3.824 -8.578 1.00 0.00 C ATOM 650 C HIS A 43 2.453 -2.802 -9.359 1.00 0.00 C ATOM 651 O HIS A 43 2.651 -2.939 -10.567 1.00 0.00 O ATOM 652 CB HIS A 43 0.182 -3.808 -9.072 1.00 0.00 C ATOM 653 CG HIS A 43 0.113 -4.320 -10.485 1.00 0.00 C ATOM 654 ND1 HIS A 43 -0.273 -3.514 -11.542 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.360 -5.555 -11.026 1.00 0.00 C ATOM 656 CE1 HIS A 43 -0.251 -4.266 -12.657 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.129 -5.521 -12.399 1.00 0.00 N ATOM 0 H HIS A 43 0.725 -3.438 -6.724 1.00 0.00 H new ATOM 0 HA HIS A 43 2.076 -4.806 -8.742 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.439 -4.425 -8.422 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.216 -2.794 -9.024 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.685 -6.423 -10.471 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.509 -3.900 -13.640 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.228 -6.288 -13.064 1.00 0.00 H new ATOM 665 N LYS A 44 2.918 -1.776 -8.657 1.00 0.00 N ATOM 666 CA LYS A 44 3.711 -0.717 -9.284 1.00 0.00 C ATOM 667 C LYS A 44 5.186 -1.108 -9.378 1.00 0.00 C ATOM 668 O LYS A 44 5.883 -0.736 -10.321 1.00 0.00 O ATOM 669 CB LYS A 44 3.583 0.580 -8.458 1.00 0.00 C ATOM 670 CG LYS A 44 3.418 1.797 -9.375 1.00 0.00 C ATOM 671 CD LYS A 44 4.672 1.984 -10.235 1.00 0.00 C ATOM 672 CE LYS A 44 4.546 3.271 -11.044 1.00 0.00 C ATOM 673 NZ LYS A 44 5.766 3.451 -11.876 1.00 0.00 N ATOM 0 H LYS A 44 2.762 -1.652 -7.657 1.00 0.00 H new ATOM 0 HA LYS A 44 3.330 -0.562 -10.294 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.727 0.506 -7.787 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.467 0.707 -7.833 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.546 1.664 -10.015 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.241 2.691 -8.777 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.558 2.025 -9.601 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.798 1.132 -10.904 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.661 3.229 -11.680 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.419 4.123 -10.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.683 4.328 -12.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.601 3.508 -11.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.868 2.643 -12.522 1.00 0.00 H new ATOM 687 N PHE A 45 5.662 -1.834 -8.373 1.00 0.00 N ATOM 688 CA PHE A 45 7.062 -2.247 -8.328 1.00 0.00 C ATOM 689 C PHE A 45 7.245 -3.679 -8.833 1.00 0.00 C ATOM 690 O PHE A 45 8.354 -4.086 -9.176 1.00 0.00 O ATOM 691 CB PHE A 45 7.566 -2.148 -6.883 1.00 0.00 C ATOM 692 CG PHE A 45 6.952 -0.937 -6.206 1.00 0.00 C ATOM 693 CD1 PHE A 45 7.100 0.344 -6.761 1.00 0.00 C ATOM 694 CD2 PHE A 45 6.240 -1.099 -5.009 1.00 0.00 C ATOM 695 CE1 PHE A 45 6.532 1.455 -6.118 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.674 0.010 -4.372 1.00 0.00 C ATOM 697 CZ PHE A 45 5.823 1.287 -4.923 1.00 0.00 C ATOM 0 H PHE A 45 5.102 -2.149 -7.580 1.00 0.00 H new ATOM 0 HA PHE A 45 7.634 -1.587 -8.980 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.306 -3.053 -6.335 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.653 -2.070 -6.872 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.650 0.474 -7.681 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.128 -2.083 -4.578 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.642 2.440 -6.546 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.121 -0.120 -3.453 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.391 2.143 -4.426 1.00 0.00 H new ATOM 707 N PHE A 46 6.159 -4.450 -8.849 1.00 0.00 N ATOM 708 CA PHE A 46 6.221 -5.847 -9.280 1.00 0.00 C ATOM 709 C PHE A 46 5.160 -6.149 -10.355 1.00 0.00 C ATOM 710 O PHE A 46 4.004 -6.385 -10.020 1.00 0.00 O ATOM 711 CB PHE A 46 5.992 -6.716 -8.050 1.00 0.00 C ATOM 712 CG PHE A 46 7.116 -6.466 -7.081 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.330 -7.137 -7.241 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.950 -5.557 -6.030 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.381 -6.903 -6.351 1.00 0.00 C ATOM 716 CE2 PHE A 46 8.001 -5.323 -5.138 1.00 0.00 C ATOM 717 CZ PHE A 46 9.215 -5.996 -5.300 1.00 0.00 C ATOM 0 H PHE A 46 5.230 -4.134 -8.570 1.00 0.00 H new ATOM 0 HA PHE A 46 7.194 -6.055 -9.726 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.033 -6.478 -7.590 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.958 -7.769 -8.330 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.457 -7.837 -8.053 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.011 -5.037 -5.908 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.320 -7.422 -6.475 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.875 -4.623 -4.325 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.027 -5.815 -4.611 1.00 0.00 H new ATOM 727 N PRO A 47 5.509 -6.146 -11.637 1.00 0.00 N ATOM 728 CA PRO A 47 4.522 -6.433 -12.724 1.00 0.00 C ATOM 729 C PRO A 47 4.177 -7.922 -12.797 1.00 0.00 C ATOM 730 O PRO A 47 3.031 -8.297 -13.047 1.00 0.00 O ATOM 731 CB PRO A 47 5.221 -5.966 -14.026 1.00 0.00 C ATOM 732 CG PRO A 47 6.569 -5.428 -13.623 1.00 0.00 C ATOM 733 CD PRO A 47 6.846 -5.887 -12.193 1.00 0.00 C ATOM 0 HA PRO A 47 3.576 -5.920 -12.552 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.328 -6.794 -14.726 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.632 -5.198 -14.528 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.343 -5.793 -14.298 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.580 -4.340 -13.684 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.466 -6.783 -12.175 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.374 -5.122 -11.623 1.00 0.00 H new ATOM 741 N GLU A 48 5.184 -8.755 -12.565 1.00 0.00 N ATOM 742 CA GLU A 48 4.989 -10.198 -12.600 1.00 0.00 C ATOM 743 C GLU A 48 4.165 -10.611 -11.388 1.00 0.00 C ATOM 744 O GLU A 48 3.904 -11.792 -11.157 1.00 0.00 O ATOM 745 CB GLU A 48 6.350 -10.910 -12.601 1.00 0.00 C ATOM 746 CG GLU A 48 6.924 -10.924 -14.025 1.00 0.00 C ATOM 747 CD GLU A 48 7.232 -9.502 -14.483 1.00 0.00 C ATOM 748 OE1 GLU A 48 7.356 -8.640 -13.631 1.00 0.00 O ATOM 749 OE2 GLU A 48 7.336 -9.297 -15.681 1.00 0.00 O ATOM 0 H GLU A 48 6.137 -8.459 -12.352 1.00 0.00 H new ATOM 0 HA GLU A 48 4.458 -10.482 -13.509 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.038 -10.401 -11.926 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.238 -11.930 -12.233 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.831 -11.527 -14.053 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.212 -11.387 -14.708 1.00 0.00 H new ATOM 756 N ALA A 49 3.766 -9.599 -10.624 1.00 0.00 N ATOM 757 CA ALA A 49 2.965 -9.794 -9.419 1.00 0.00 C ATOM 758 C ALA A 49 1.622 -10.424 -9.725 1.00 0.00 C ATOM 759 O ALA A 49 1.413 -11.621 -9.537 1.00 0.00 O ATOM 760 CB ALA A 49 2.714 -8.449 -8.748 1.00 0.00 C ATOM 0 H ALA A 49 3.988 -8.623 -10.821 1.00 0.00 H new ATOM 0 HA ALA A 49 3.525 -10.463 -8.765 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.116 -8.597 -7.849 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.667 -7.993 -8.479 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.179 -7.794 -9.436 1.00 0.00 H new ATOM 766 N PHE A 50 0.725 -9.593 -10.227 1.00 0.00 N ATOM 767 CA PHE A 50 -0.605 -10.031 -10.591 1.00 0.00 C ATOM 768 C PHE A 50 -1.275 -8.971 -11.453 1.00 0.00 C ATOM 769 O PHE A 50 -0.901 -7.803 -11.424 1.00 0.00 O ATOM 770 CB PHE A 50 -1.444 -10.277 -9.331 1.00 0.00 C ATOM 771 CG PHE A 50 -1.211 -9.163 -8.329 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.834 -7.920 -8.503 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.372 -9.375 -7.225 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.620 -6.891 -7.575 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.158 -8.346 -6.300 1.00 0.00 C ATOM 776 CZ PHE A 50 -0.782 -7.104 -6.474 1.00 0.00 C ATOM 0 H PHE A 50 0.900 -8.602 -10.392 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.529 -10.962 -11.153 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.501 -10.328 -9.592 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.178 -11.237 -8.889 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.480 -7.754 -9.353 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.109 -10.332 -7.088 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.102 -5.934 -7.710 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.489 -8.510 -5.451 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.617 -6.311 -5.759 1.00 0.00 H new ATOM 786 N ASP A 51 -2.287 -9.384 -12.198 1.00 0.00 N ATOM 787 CA ASP A 51 -3.028 -8.458 -13.043 1.00 0.00 C ATOM 788 C ASP A 51 -4.050 -7.708 -12.191 1.00 0.00 C ATOM 789 O ASP A 51 -5.154 -8.195 -11.955 1.00 0.00 O ATOM 790 CB ASP A 51 -3.746 -9.218 -14.161 1.00 0.00 C ATOM 791 CG ASP A 51 -2.745 -9.689 -15.210 1.00 0.00 C ATOM 792 OD1 ASP A 51 -1.629 -9.197 -15.201 1.00 0.00 O ATOM 793 OD2 ASP A 51 -3.110 -10.537 -16.008 1.00 0.00 O ATOM 0 H ASP A 51 -2.614 -10.349 -12.236 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.333 -7.750 -13.493 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.277 -10.074 -13.745 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.493 -8.575 -14.625 1.00 0.00 H new ATOM 798 N TYR A 52 -3.666 -6.527 -11.715 1.00 0.00 N ATOM 799 CA TYR A 52 -4.543 -5.722 -10.875 1.00 0.00 C ATOM 800 C TYR A 52 -5.799 -5.324 -11.620 1.00 0.00 C ATOM 801 O TYR A 52 -6.820 -5.007 -11.013 1.00 0.00 O ATOM 802 CB TYR A 52 -3.814 -4.453 -10.436 1.00 0.00 C ATOM 803 CG TYR A 52 -4.768 -3.521 -9.712 1.00 0.00 C ATOM 804 CD1 TYR A 52 -4.975 -3.658 -8.337 1.00 0.00 C ATOM 805 CD2 TYR A 52 -5.450 -2.527 -10.427 1.00 0.00 C ATOM 806 CE1 TYR A 52 -5.864 -2.802 -7.674 1.00 0.00 C ATOM 807 CE2 TYR A 52 -6.338 -1.670 -9.764 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.544 -1.809 -8.387 1.00 0.00 C ATOM 809 OH TYR A 52 -7.417 -0.965 -7.730 1.00 0.00 O ATOM 0 H TYR A 52 -2.754 -6.108 -11.897 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.819 -6.322 -10.008 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.981 -4.712 -9.782 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.392 -3.949 -11.305 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.450 -4.424 -7.785 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.291 -2.422 -11.490 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.025 -2.909 -6.611 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.863 -0.903 -10.315 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.208 -0.813 -8.289 1.00 0.00 H new ATOM 819 N ALA A 53 -5.718 -5.342 -12.935 1.00 0.00 N ATOM 820 CA ALA A 53 -6.857 -4.974 -13.761 1.00 0.00 C ATOM 821 C ALA A 53 -7.846 -6.127 -13.857 1.00 0.00 C ATOM 822 O ALA A 53 -8.975 -5.946 -14.315 1.00 0.00 O ATOM 823 CB ALA A 53 -6.371 -4.595 -15.158 1.00 0.00 C ATOM 0 H ALA A 53 -4.881 -5.606 -13.455 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.361 -4.123 -13.303 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.224 -4.319 -15.778 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.685 -3.751 -15.088 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.856 -5.444 -15.607 1.00 0.00 H new ATOM 829 N GLU A 54 -7.416 -7.315 -13.435 1.00 0.00 N ATOM 830 CA GLU A 54 -8.260 -8.496 -13.482 1.00 0.00 C ATOM 831 C GLU A 54 -8.933 -8.730 -12.141 1.00 0.00 C ATOM 832 O GLU A 54 -9.832 -9.562 -12.029 1.00 0.00 O ATOM 833 CB GLU A 54 -7.389 -9.706 -13.817 1.00 0.00 C ATOM 834 CG GLU A 54 -7.082 -9.747 -15.319 1.00 0.00 C ATOM 835 CD GLU A 54 -6.152 -10.918 -15.626 1.00 0.00 C ATOM 836 OE1 GLU A 54 -5.868 -11.679 -14.717 1.00 0.00 O ATOM 837 OE2 GLU A 54 -5.738 -11.036 -16.768 1.00 0.00 O ATOM 0 H GLU A 54 -6.483 -7.480 -13.056 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.030 -8.352 -14.240 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.459 -9.660 -13.251 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.899 -10.622 -13.519 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.008 -9.848 -15.886 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.618 -8.811 -15.630 1.00 0.00 H new ATOM 844 N LEU A 55 -8.486 -8.010 -11.120 1.00 0.00 N ATOM 845 CA LEU A 55 -9.049 -8.157 -9.787 1.00 0.00 C ATOM 846 C LEU A 55 -10.300 -7.310 -9.625 1.00 0.00 C ATOM 847 O LEU A 55 -10.462 -6.286 -10.290 1.00 0.00 O ATOM 848 CB LEU A 55 -7.992 -7.744 -8.767 1.00 0.00 C ATOM 849 CG LEU A 55 -6.857 -8.791 -8.748 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.667 -8.264 -7.921 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.370 -10.122 -8.148 1.00 0.00 C ATOM 0 H LEU A 55 -7.737 -7.321 -11.190 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.336 -9.197 -9.629 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.591 -6.762 -9.020 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.440 -7.660 -7.777 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.526 -8.970 -9.771 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.871 -9.009 -7.913 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.295 -7.341 -8.366 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.992 -8.069 -6.899 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.561 -10.853 -8.140 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.716 -9.952 -7.129 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.194 -10.500 -8.753 1.00 0.00 H new ATOM 863 N ASP A 56 -11.192 -7.761 -8.743 1.00 0.00 N ATOM 864 CA ASP A 56 -12.451 -7.066 -8.489 1.00 0.00 C ATOM 865 C ASP A 56 -12.587 -6.731 -6.996 1.00 0.00 C ATOM 866 O ASP A 56 -11.873 -7.299 -6.167 1.00 0.00 O ATOM 867 CB ASP A 56 -13.611 -7.976 -8.938 1.00 0.00 C ATOM 868 CG ASP A 56 -13.413 -9.395 -8.419 1.00 0.00 C ATOM 869 OD1 ASP A 56 -13.181 -9.547 -7.233 1.00 0.00 O ATOM 870 OD2 ASP A 56 -13.511 -10.314 -9.219 1.00 0.00 O ATOM 0 H ASP A 56 -11.064 -8.609 -8.191 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.474 -6.130 -9.048 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.556 -7.577 -8.570 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.672 -7.986 -10.026 1.00 0.00 H new ATOM 875 N PRO A 57 -13.488 -5.841 -6.629 1.00 0.00 N ATOM 876 CA PRO A 57 -13.703 -5.467 -5.203 1.00 0.00 C ATOM 877 C PRO A 57 -14.447 -6.580 -4.478 1.00 0.00 C ATOM 878 O PRO A 57 -14.608 -6.558 -3.260 1.00 0.00 O ATOM 879 CB PRO A 57 -14.538 -4.164 -5.250 1.00 0.00 C ATOM 880 CG PRO A 57 -14.774 -3.857 -6.708 1.00 0.00 C ATOM 881 CD PRO A 57 -14.407 -5.108 -7.509 1.00 0.00 C ATOM 0 HA PRO A 57 -12.768 -5.318 -4.662 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.483 -4.290 -4.722 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -14.008 -3.346 -4.762 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -15.816 -3.585 -6.878 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.167 -3.008 -7.024 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -15.289 -5.702 -7.747 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.932 -4.850 -8.455 1.00 0.00 H new ATOM 889 N ALA A 58 -14.915 -7.540 -5.258 1.00 0.00 N ATOM 890 CA ALA A 58 -15.650 -8.674 -4.717 1.00 0.00 C ATOM 891 C ALA A 58 -14.704 -9.602 -3.963 1.00 0.00 C ATOM 892 O ALA A 58 -15.010 -10.070 -2.866 1.00 0.00 O ATOM 893 CB ALA A 58 -16.307 -9.447 -5.862 1.00 0.00 C ATOM 0 H ALA A 58 -14.799 -7.558 -6.271 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.413 -8.307 -4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.858 -10.297 -5.458 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.993 -8.791 -6.397 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.539 -9.805 -6.547 1.00 0.00 H new ATOM 899 N LYS A 59 -13.560 -9.870 -4.584 1.00 0.00 N ATOM 900 CA LYS A 59 -12.551 -10.759 -4.013 1.00 0.00 C ATOM 901 C LYS A 59 -11.540 -9.988 -3.162 1.00 0.00 C ATOM 902 O LYS A 59 -10.335 -10.099 -3.371 1.00 0.00 O ATOM 903 CB LYS A 59 -11.818 -11.481 -5.151 1.00 0.00 C ATOM 904 CG LYS A 59 -12.758 -12.492 -5.830 1.00 0.00 C ATOM 905 CD LYS A 59 -12.021 -13.218 -6.968 1.00 0.00 C ATOM 906 CE LYS A 59 -12.952 -14.252 -7.604 1.00 0.00 C ATOM 907 NZ LYS A 59 -14.244 -13.600 -7.958 1.00 0.00 N ATOM 0 H LYS A 59 -13.306 -9.480 -5.492 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.053 -11.479 -3.367 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.463 -10.755 -5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.940 -11.995 -4.760 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.116 -13.216 -5.098 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.634 -11.978 -6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.692 -12.499 -7.719 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.127 -13.707 -6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.489 -14.675 -8.495 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.125 -15.076 -6.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.730 -14.164 -8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.844 -13.536 -7.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.061 -12.644 -8.326 1.00 0.00 H new ATOM 921 N ARG A 60 -12.034 -9.210 -2.204 1.00 0.00 N ATOM 922 CA ARG A 60 -11.154 -8.435 -1.329 1.00 0.00 C ATOM 923 C ARG A 60 -10.268 -9.328 -0.458 1.00 0.00 C ATOM 924 O ARG A 60 -9.072 -9.073 -0.322 1.00 0.00 O ATOM 925 CB ARG A 60 -12.004 -7.520 -0.436 1.00 0.00 C ATOM 926 CG ARG A 60 -12.360 -6.247 -1.205 1.00 0.00 C ATOM 927 CD ARG A 60 -13.522 -5.535 -0.516 1.00 0.00 C ATOM 928 NE ARG A 60 -13.156 -5.193 0.852 1.00 0.00 N ATOM 929 CZ ARG A 60 -14.063 -4.747 1.715 1.00 0.00 C ATOM 930 NH1 ARG A 60 -15.154 -5.430 1.925 1.00 0.00 N ATOM 931 NH2 ARG A 60 -13.860 -3.628 2.354 1.00 0.00 N ATOM 0 H ARG A 60 -13.030 -9.098 -2.013 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.494 -7.842 -1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.912 -8.037 -0.127 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.456 -7.268 0.472 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.494 -5.587 -1.254 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.630 -6.495 -2.231 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.785 -4.632 -1.067 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.404 -6.176 -0.516 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.187 -5.298 1.153 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.311 -6.306 1.427 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.850 -5.088 2.587 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.005 -3.096 2.191 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.556 -3.285 3.016 1.00 0.00 H new ATOM 945 N ARG A 61 -10.846 -10.360 0.139 1.00 0.00 N ATOM 946 CA ARG A 61 -10.072 -11.239 1.013 1.00 0.00 C ATOM 947 C ARG A 61 -8.805 -11.699 0.313 1.00 0.00 C ATOM 948 O ARG A 61 -7.707 -11.633 0.871 1.00 0.00 O ATOM 949 CB ARG A 61 -10.901 -12.469 1.364 1.00 0.00 C ATOM 950 CG ARG A 61 -12.142 -12.053 2.150 1.00 0.00 C ATOM 951 CD ARG A 61 -13.018 -13.279 2.402 1.00 0.00 C ATOM 952 NE ARG A 61 -12.317 -14.228 3.264 1.00 0.00 N ATOM 953 CZ ARG A 61 -12.716 -15.493 3.366 1.00 0.00 C ATOM 954 NH1 ARG A 61 -12.681 -16.273 2.319 1.00 0.00 N ATOM 955 NH2 ARG A 61 -13.144 -15.954 4.509 1.00 0.00 N ATOM 0 H ARG A 61 -11.830 -10.609 0.040 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.811 -10.686 1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.195 -12.992 0.454 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.303 -13.165 1.953 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.851 -11.600 3.097 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.702 -11.300 1.595 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.956 -12.976 2.868 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.272 -13.755 1.455 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.506 -13.915 3.798 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.348 -15.912 1.425 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.987 -17.243 2.395 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.173 -15.344 5.326 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.450 -16.924 4.585 1.00 0.00 H new ATOM 969 N HIS A 62 -8.974 -12.159 -0.915 1.00 0.00 N ATOM 970 CA HIS A 62 -7.862 -12.628 -1.715 1.00 0.00 C ATOM 971 C HIS A 62 -6.915 -11.479 -2.048 1.00 0.00 C ATOM 972 O HIS A 62 -5.706 -11.668 -2.124 1.00 0.00 O ATOM 973 CB HIS A 62 -8.400 -13.240 -3.003 1.00 0.00 C ATOM 974 CG HIS A 62 -9.058 -14.563 -2.700 1.00 0.00 C ATOM 975 ND1 HIS A 62 -10.256 -14.945 -3.283 1.00 0.00 N ATOM 976 CD2 HIS A 62 -8.700 -15.596 -1.867 1.00 0.00 C ATOM 977 CE1 HIS A 62 -10.575 -16.161 -2.798 1.00 0.00 C ATOM 978 NE2 HIS A 62 -9.659 -16.603 -1.932 1.00 0.00 N ATOM 0 H HIS A 62 -9.880 -12.217 -1.380 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.308 -13.377 -1.149 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.118 -12.563 -3.467 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.588 -13.381 -3.717 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -7.810 -15.622 -1.255 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -11.462 -16.711 -3.075 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -9.662 -17.489 -1.426 1.00 0.00 H new ATOM 986 N ASN A 63 -7.479 -10.293 -2.241 1.00 0.00 N ATOM 987 CA ASN A 63 -6.679 -9.109 -2.570 1.00 0.00 C ATOM 988 C ASN A 63 -5.698 -8.799 -1.457 1.00 0.00 C ATOM 989 O ASN A 63 -4.536 -8.482 -1.708 1.00 0.00 O ATOM 990 CB ASN A 63 -7.605 -7.908 -2.770 1.00 0.00 C ATOM 991 CG ASN A 63 -6.922 -6.812 -3.586 1.00 0.00 C ATOM 992 OD1 ASN A 63 -6.513 -7.043 -4.723 1.00 0.00 O ATOM 993 ND2 ASN A 63 -6.776 -5.623 -3.068 1.00 0.00 N ATOM 0 H ASN A 63 -8.482 -10.121 -2.177 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.122 -9.310 -3.485 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.515 -8.228 -3.277 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.903 -7.510 -1.800 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.323 -4.885 -3.606 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.115 -5.432 -2.125 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.169 -8.901 -0.226 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.299 -8.634 0.909 1.00 0.00 C ATOM 1002 C PHE A 64 -4.224 -9.717 0.990 1.00 0.00 C ATOM 1003 O PHE A 64 -3.031 -9.420 0.978 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.115 -8.579 2.207 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.881 -7.271 2.286 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.213 -6.087 2.635 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.255 -7.239 2.013 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.918 -4.878 2.706 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.957 -6.030 2.085 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.289 -4.850 2.431 1.00 0.00 C ATOM 0 H PHE A 64 -7.126 -9.161 0.012 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.817 -7.666 0.775 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.809 -9.419 2.245 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.452 -8.674 3.067 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.155 -6.108 2.849 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.773 -8.148 1.747 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.402 -3.967 2.973 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -10.016 -6.008 1.873 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.832 -3.918 2.486 1.00 0.00 H new ATOM 1020 N THR A 65 -4.653 -10.975 1.047 1.00 0.00 N ATOM 1021 CA THR A 65 -3.701 -12.079 1.117 1.00 0.00 C ATOM 1022 C THR A 65 -2.717 -11.971 -0.039 1.00 0.00 C ATOM 1023 O THR A 65 -1.518 -12.187 0.126 1.00 0.00 O ATOM 1024 CB THR A 65 -4.419 -13.428 1.033 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.512 -13.447 1.940 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.435 -14.547 1.384 1.00 0.00 C ATOM 0 H THR A 65 -5.635 -11.252 1.046 1.00 0.00 H new ATOM 0 HA THR A 65 -3.176 -12.019 2.070 1.00 0.00 H new ATOM 0 HB THR A 65 -4.795 -13.578 0.021 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.282 -12.996 1.534 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.943 -15.510 1.325 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.602 -14.533 0.681 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.059 -14.396 2.396 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.246 -11.636 -1.207 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.432 -11.496 -2.406 1.00 0.00 C ATOM 1036 C LEU A 66 -1.391 -10.401 -2.229 1.00 0.00 C ATOM 1037 O LEU A 66 -0.212 -10.605 -2.519 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.347 -11.141 -3.575 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.553 -10.953 -4.872 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.959 -12.290 -5.329 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.511 -10.424 -5.941 1.00 0.00 C ATOM 0 H LEU A 66 -4.240 -11.455 -1.350 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.912 -12.435 -2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.087 -11.929 -3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.894 -10.226 -3.346 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.735 -10.251 -4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.397 -12.142 -6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.293 -12.675 -4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.763 -13.005 -5.504 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.970 -10.281 -6.876 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.317 -11.141 -6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.930 -9.472 -5.615 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.826 -9.236 -1.773 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.898 -8.135 -1.597 1.00 0.00 C ATOM 1055 C ALA A 67 0.182 -8.522 -0.607 1.00 0.00 C ATOM 1056 O ALA A 67 1.349 -8.174 -0.773 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.642 -6.900 -1.095 1.00 0.00 C ATOM 0 H ALA A 67 -2.794 -9.033 -1.524 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.436 -7.906 -2.557 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.938 -6.078 -0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.404 -6.614 -1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.117 -7.125 -0.140 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.223 -9.244 0.425 1.00 0.00 N ATOM 1064 CA PHE A 68 0.716 -9.671 1.446 1.00 0.00 C ATOM 1065 C PHE A 68 1.513 -10.886 0.982 1.00 0.00 C ATOM 1066 O PHE A 68 2.739 -10.906 1.097 1.00 0.00 O ATOM 1067 CB PHE A 68 -0.033 -9.982 2.751 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.680 -8.716 3.305 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.114 -7.611 3.647 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -2.073 -8.648 3.485 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.479 -6.449 4.163 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.662 -7.487 3.999 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.867 -6.388 4.338 1.00 0.00 C ATOM 0 H PHE A 68 -1.186 -9.544 0.576 1.00 0.00 H new ATOM 0 HA PHE A 68 1.421 -8.860 1.628 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.796 -10.739 2.569 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.658 -10.396 3.485 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.185 -7.655 3.513 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.691 -9.495 3.226 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.136 -5.601 4.426 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.732 -7.440 4.134 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.323 -5.493 4.734 1.00 0.00 H new ATOM 1083 N SER A 69 0.827 -11.896 0.457 1.00 0.00 N ATOM 1084 CA SER A 69 1.511 -13.099 -0.007 1.00 0.00 C ATOM 1085 C SER A 69 2.408 -12.790 -1.200 1.00 0.00 C ATOM 1086 O SER A 69 3.428 -13.448 -1.403 1.00 0.00 O ATOM 1087 CB SER A 69 0.497 -14.176 -0.400 1.00 0.00 C ATOM 1088 OG SER A 69 1.193 -15.379 -0.711 1.00 0.00 O ATOM 0 H SER A 69 -0.187 -11.908 0.343 1.00 0.00 H new ATOM 0 HA SER A 69 2.128 -13.466 0.813 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.205 -14.348 0.416 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.088 -13.847 -1.259 1.00 0.00 H new ATOM 0 HG SER A 69 0.549 -16.074 -0.962 1.00 0.00 H new ATOM 1094 N THR A 70 2.045 -11.768 -1.973 1.00 0.00 N ATOM 1095 CA THR A 70 2.859 -11.383 -3.117 1.00 0.00 C ATOM 1096 C THR A 70 4.058 -10.565 -2.656 1.00 0.00 C ATOM 1097 O THR A 70 5.191 -10.826 -3.054 1.00 0.00 O ATOM 1098 CB THR A 70 2.042 -10.575 -4.126 1.00 0.00 C ATOM 1099 OG1 THR A 70 0.877 -11.300 -4.487 1.00 0.00 O ATOM 1100 CG2 THR A 70 2.893 -10.319 -5.367 1.00 0.00 C ATOM 0 H THR A 70 1.208 -11.203 -1.830 1.00 0.00 H new ATOM 0 HA THR A 70 3.207 -12.294 -3.604 1.00 0.00 H new ATOM 0 HB THR A 70 1.747 -9.625 -3.681 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.250 -11.308 -3.734 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.317 -9.743 -6.091 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.786 -9.760 -5.087 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.185 -11.271 -5.811 1.00 0.00 H new ATOM 1108 N ALA A 71 3.803 -9.573 -1.811 1.00 0.00 N ATOM 1109 CA ALA A 71 4.875 -8.719 -1.311 1.00 0.00 C ATOM 1110 C ALA A 71 5.891 -9.526 -0.510 1.00 0.00 C ATOM 1111 O ALA A 71 7.088 -9.243 -0.554 1.00 0.00 O ATOM 1112 CB ALA A 71 4.304 -7.608 -0.429 1.00 0.00 C ATOM 0 H ALA A 71 2.874 -9.341 -1.460 1.00 0.00 H new ATOM 0 HA ALA A 71 5.376 -8.279 -2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.116 -6.980 -0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.610 -7.002 -1.011 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.778 -8.050 0.418 1.00 0.00 H new ATOM 1118 N GLU A 72 5.414 -10.531 0.220 1.00 0.00 N ATOM 1119 CA GLU A 72 6.310 -11.355 1.018 1.00 0.00 C ATOM 1120 C GLU A 72 7.100 -12.312 0.127 1.00 0.00 C ATOM 1121 O GLU A 72 8.305 -12.462 0.272 1.00 0.00 O ATOM 1122 CB GLU A 72 5.509 -12.151 2.059 1.00 0.00 C ATOM 1123 CG GLU A 72 6.467 -12.976 2.928 1.00 0.00 C ATOM 1124 CD GLU A 72 5.696 -13.673 4.045 1.00 0.00 C ATOM 1125 OE1 GLU A 72 4.477 -13.616 4.025 1.00 0.00 O ATOM 1126 OE2 GLU A 72 6.337 -14.245 4.913 1.00 0.00 O ATOM 0 H GLU A 72 4.429 -10.790 0.274 1.00 0.00 H new ATOM 0 HA GLU A 72 7.013 -10.699 1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.930 -11.471 2.684 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.798 -12.809 1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.981 -13.716 2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.233 -12.328 3.354 1.00 0.00 H new ATOM 1133 N LYS A 73 6.423 -12.978 -0.790 1.00 0.00 N ATOM 1134 CA LYS A 73 7.114 -13.925 -1.648 1.00 0.00 C ATOM 1135 C LYS A 73 8.222 -13.229 -2.439 1.00 0.00 C ATOM 1136 O LYS A 73 9.320 -13.766 -2.585 1.00 0.00 O ATOM 1137 CB LYS A 73 6.111 -14.583 -2.608 1.00 0.00 C ATOM 1138 CG LYS A 73 6.764 -15.765 -3.360 1.00 0.00 C ATOM 1139 CD LYS A 73 6.683 -17.049 -2.521 1.00 0.00 C ATOM 1140 CE LYS A 73 7.280 -18.220 -3.306 1.00 0.00 C ATOM 1141 NZ LYS A 73 7.278 -19.440 -2.448 1.00 0.00 N ATOM 0 H LYS A 73 5.421 -12.886 -0.959 1.00 0.00 H new ATOM 0 HA LYS A 73 7.571 -14.693 -1.024 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.244 -14.936 -2.049 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.749 -13.846 -3.325 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.263 -15.916 -4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.806 -15.532 -3.580 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.222 -16.916 -1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.645 -17.262 -2.265 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.701 -18.398 -4.212 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.297 -17.983 -3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.683 -20.238 -2.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.848 -19.266 -1.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.302 -19.668 -2.171 1.00 0.00 H new ATOM 1155 N LEU A 74 7.920 -12.045 -2.960 1.00 0.00 N ATOM 1156 CA LEU A 74 8.886 -11.292 -3.752 1.00 0.00 C ATOM 1157 C LEU A 74 9.835 -10.457 -2.887 1.00 0.00 C ATOM 1158 O LEU A 74 11.033 -10.411 -3.165 1.00 0.00 O ATOM 1159 CB LEU A 74 8.141 -10.366 -4.724 1.00 0.00 C ATOM 1160 CG LEU A 74 7.497 -11.180 -5.860 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.541 -10.284 -6.655 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.585 -11.732 -6.809 1.00 0.00 C ATOM 0 H LEU A 74 7.016 -11.586 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 74 9.491 -12.017 -4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.373 -9.809 -4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.833 -9.634 -5.141 1.00 0.00 H new ATOM 0 HG LEU A 74 6.947 -12.014 -5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.085 -10.861 -7.459 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.762 -9.906 -5.993 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.095 -9.446 -7.079 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.114 -12.306 -7.607 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.146 -10.903 -7.240 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.262 -12.377 -6.250 1.00 0.00 H new ATOM 1174 N ALA A 75 9.313 -9.758 -1.869 1.00 0.00 N ATOM 1175 CA ALA A 75 10.166 -8.893 -1.043 1.00 0.00 C ATOM 1176 C ALA A 75 10.329 -9.406 0.385 1.00 0.00 C ATOM 1177 O ALA A 75 10.990 -8.758 1.196 1.00 0.00 O ATOM 1178 CB ALA A 75 9.565 -7.486 -1.008 1.00 0.00 C ATOM 0 H ALA A 75 8.329 -9.773 -1.602 1.00 0.00 H new ATOM 0 HA ALA A 75 11.157 -8.887 -1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.192 -6.837 -0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.511 -7.088 -2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.563 -7.529 -0.581 1.00 0.00 H new ATOM 1184 N ASP A 76 9.751 -10.559 0.705 1.00 0.00 N ATOM 1185 CA ASP A 76 9.891 -11.090 2.055 1.00 0.00 C ATOM 1186 C ASP A 76 9.544 -10.009 3.077 1.00 0.00 C ATOM 1187 O ASP A 76 10.109 -9.961 4.170 1.00 0.00 O ATOM 1188 CB ASP A 76 11.322 -11.567 2.262 1.00 0.00 C ATOM 1189 CG ASP A 76 11.563 -12.857 1.481 1.00 0.00 C ATOM 1190 OD1 ASP A 76 10.605 -13.392 0.946 1.00 0.00 O ATOM 1191 OD2 ASP A 76 12.701 -13.294 1.437 1.00 0.00 O ATOM 0 H ASP A 76 9.196 -11.130 0.068 1.00 0.00 H new ATOM 0 HA ASP A 76 9.209 -11.929 2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.021 -10.798 1.934 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.508 -11.735 3.323 1.00 0.00 H new ATOM 1196 N CYS A 77 8.623 -9.137 2.684 1.00 0.00 N ATOM 1197 CA CYS A 77 8.186 -8.022 3.524 1.00 0.00 C ATOM 1198 C CYS A 77 7.829 -8.461 4.946 1.00 0.00 C ATOM 1199 O CYS A 77 8.142 -9.571 5.377 1.00 0.00 O ATOM 1200 CB CYS A 77 6.975 -7.348 2.876 1.00 0.00 C ATOM 1201 SG CYS A 77 5.553 -8.466 2.932 1.00 0.00 S ATOM 0 H CYS A 77 8.158 -9.180 1.777 1.00 0.00 H new ATOM 0 HA CYS A 77 9.019 -7.324 3.603 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.741 -6.420 3.397 1.00 0.00 H new ATOM 0 HB3 CYS A 77 7.203 -7.085 1.843 1.00 0.00 H new ATOM 0 HG CYS A 77 5.110 -8.544 4.152 1.00 0.00 H new ATOM 1207 N ALA A 78 7.154 -7.558 5.662 1.00 0.00 N ATOM 1208 CA ALA A 78 6.730 -7.812 7.038 1.00 0.00 C ATOM 1209 C ALA A 78 5.324 -8.409 7.057 1.00 0.00 C ATOM 1210 O ALA A 78 4.680 -8.529 6.018 1.00 0.00 O ATOM 1211 CB ALA A 78 6.747 -6.501 7.832 1.00 0.00 C ATOM 0 H ALA A 78 6.889 -6.639 5.307 1.00 0.00 H new ATOM 0 HA ALA A 78 7.419 -8.522 7.495 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.431 -6.692 8.857 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.757 -6.090 7.834 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.066 -5.787 7.370 1.00 0.00 H new ATOM 1217 N GLN A 79 4.856 -8.785 8.245 1.00 0.00 N ATOM 1218 CA GLN A 79 3.521 -9.372 8.400 1.00 0.00 C ATOM 1219 C GLN A 79 2.777 -8.676 9.535 1.00 0.00 C ATOM 1220 O GLN A 79 2.097 -9.321 10.334 1.00 0.00 O ATOM 1221 CB GLN A 79 3.657 -10.860 8.723 1.00 0.00 C ATOM 1222 CG GLN A 79 4.516 -11.023 9.977 1.00 0.00 C ATOM 1223 CD GLN A 79 4.770 -12.501 10.255 1.00 0.00 C ATOM 1224 OE1 GLN A 79 5.198 -12.861 11.349 1.00 0.00 O ATOM 1225 NE2 GLN A 79 4.537 -13.380 9.320 1.00 0.00 N ATOM 0 H GLN A 79 5.379 -8.695 9.116 1.00 0.00 H new ATOM 0 HA GLN A 79 2.963 -9.245 7.473 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.673 -11.302 8.881 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.112 -11.387 7.884 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.465 -10.502 9.847 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.016 -10.566 10.831 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.182 -13.078 8.413 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.710 -14.370 9.496 1.00 0.00 H new ATOM 1234 N LEU A 80 2.931 -7.359 9.613 1.00 0.00 N ATOM 1235 CA LEU A 80 2.291 -6.580 10.670 1.00 0.00 C ATOM 1236 C LEU A 80 0.764 -6.609 10.544 1.00 0.00 C ATOM 1237 O LEU A 80 0.055 -6.434 11.536 1.00 0.00 O ATOM 1238 CB LEU A 80 2.755 -5.118 10.617 1.00 0.00 C ATOM 1239 CG LEU A 80 4.273 -5.022 10.456 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.676 -3.551 10.508 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.982 -5.773 11.577 1.00 0.00 C ATOM 0 H LEU A 80 3.490 -6.809 8.961 1.00 0.00 H new ATOM 0 HA LEU A 80 2.580 -7.032 11.619 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.266 -4.609 9.786 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.451 -4.604 11.529 1.00 0.00 H new ATOM 0 HG LEU A 80 4.560 -5.467 9.503 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.757 -3.466 10.395 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.182 -3.010 9.701 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.377 -3.125 11.466 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.061 -5.692 11.444 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.702 -5.342 12.538 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.691 -6.823 11.552 1.00 0.00 H new ATOM 1253 N LEU A 81 0.252 -6.804 9.322 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.213 -6.819 9.088 1.00 0.00 C ATOM 1255 C LEU A 81 -1.718 -8.205 8.688 1.00 0.00 C ATOM 1256 O LEU A 81 -1.038 -8.958 7.990 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.596 -5.831 7.966 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.704 -4.592 8.023 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -1.063 -3.647 6.876 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -0.931 -3.873 9.344 1.00 0.00 C ATOM 0 H LEU A 81 0.815 -6.953 8.485 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.677 -6.528 10.031 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.495 -6.316 6.995 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.641 -5.540 8.070 1.00 0.00 H new ATOM 0 HG LEU A 81 0.340 -4.894 7.936 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.425 -2.764 6.919 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.913 -4.157 5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.107 -3.346 6.966 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.297 -2.988 9.390 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.977 -3.575 9.421 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.683 -4.541 10.169 1.00 0.00 H new ATOM 1272 N GLU A 82 -2.939 -8.515 9.130 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.582 -9.792 8.819 1.00 0.00 C ATOM 1274 C GLU A 82 -4.808 -9.562 7.941 1.00 0.00 C ATOM 1275 O GLU A 82 -5.544 -8.596 8.122 1.00 0.00 O ATOM 1276 CB GLU A 82 -3.995 -10.488 10.111 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.739 -10.891 10.881 1.00 0.00 C ATOM 1278 CD GLU A 82 -3.121 -11.493 12.227 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -4.005 -10.949 12.869 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -2.525 -12.492 12.595 1.00 0.00 O ATOM 0 H GLU A 82 -3.505 -7.894 9.708 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.875 -10.423 8.280 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.611 -9.823 10.717 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.599 -11.368 9.889 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.163 -11.613 10.301 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.100 -10.021 11.031 1.00 0.00 H new ATOM 1287 N VAL A 83 -5.003 -10.455 6.980 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.115 -10.352 6.044 1.00 0.00 C ATOM 1289 C VAL A 83 -7.458 -10.333 6.774 1.00 0.00 C ATOM 1290 O VAL A 83 -8.294 -9.460 6.539 1.00 0.00 O ATOM 1291 CB VAL A 83 -6.054 -11.575 5.121 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.327 -11.659 4.263 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.789 -11.495 4.236 1.00 0.00 C ATOM 0 H VAL A 83 -4.401 -11.264 6.828 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.033 -9.422 5.481 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.998 -12.481 5.724 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.270 -12.532 3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.198 -11.746 4.912 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.416 -10.759 3.655 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.748 -12.365 3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.824 -10.588 3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.902 -11.475 4.870 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.664 -11.314 7.634 1.00 0.00 N ATOM 1304 CA ASP A 84 -8.914 -11.423 8.370 1.00 0.00 C ATOM 1305 C ASP A 84 -9.233 -10.130 9.111 1.00 0.00 C ATOM 1306 O ASP A 84 -10.363 -9.640 9.063 1.00 0.00 O ATOM 1307 CB ASP A 84 -8.812 -12.573 9.371 1.00 0.00 C ATOM 1308 CG ASP A 84 -8.753 -13.899 8.625 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -9.064 -13.904 7.445 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -8.392 -14.890 9.239 1.00 0.00 O ATOM 0 H ASP A 84 -6.984 -12.046 7.841 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.717 -11.614 7.658 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.922 -12.452 9.989 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.670 -12.560 10.043 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.237 -9.577 9.789 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.431 -8.343 10.533 1.00 0.00 C ATOM 1317 C ASP A 85 -8.802 -7.213 9.587 1.00 0.00 C ATOM 1318 O ASP A 85 -9.709 -6.429 9.864 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.148 -7.986 11.285 1.00 0.00 C ATOM 1320 CG ASP A 85 -6.967 -8.911 12.483 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -7.892 -9.645 12.785 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -5.905 -8.869 13.083 1.00 0.00 O ATOM 0 H ASP A 85 -7.293 -9.961 9.839 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.241 -8.486 11.248 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.291 -8.071 10.617 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.190 -6.949 11.619 1.00 0.00 H new ATOM 1327 N MET A 86 -8.106 -7.144 8.463 1.00 0.00 N ATOM 1328 CA MET A 86 -8.376 -6.107 7.484 1.00 0.00 C ATOM 1329 C MET A 86 -9.806 -6.234 6.985 1.00 0.00 C ATOM 1330 O MET A 86 -10.532 -5.247 6.861 1.00 0.00 O ATOM 1331 CB MET A 86 -7.418 -6.277 6.300 1.00 0.00 C ATOM 1332 CG MET A 86 -6.006 -5.798 6.668 1.00 0.00 C ATOM 1333 SD MET A 86 -5.271 -4.941 5.253 1.00 0.00 S ATOM 1334 CE MET A 86 -5.749 -3.268 5.735 1.00 0.00 C ATOM 0 H MET A 86 -7.357 -7.788 8.209 1.00 0.00 H new ATOM 0 HA MET A 86 -8.236 -5.128 7.943 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.385 -7.325 6.001 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.787 -5.712 5.444 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.050 -5.130 7.528 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.386 -6.647 6.955 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.686 -2.608 4.870 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.772 -3.276 6.111 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.078 -2.908 6.515 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.196 -7.467 6.720 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.535 -7.762 6.245 1.00 0.00 C ATOM 1346 C VAL A 87 -12.579 -7.406 7.295 1.00 0.00 C ATOM 1347 O VAL A 87 -13.625 -6.839 6.975 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.626 -9.249 5.893 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -13.074 -9.620 5.552 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.715 -9.537 4.690 1.00 0.00 C ATOM 0 H VAL A 87 -9.599 -8.287 6.827 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.735 -7.160 5.359 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.305 -9.846 6.747 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -13.129 -10.680 5.303 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.714 -9.415 6.410 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.410 -9.029 4.700 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.775 -10.595 4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -11.037 -8.938 3.838 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.686 -9.283 4.944 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.298 -7.748 8.548 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.221 -7.475 9.637 1.00 0.00 C ATOM 1362 C ARG A 88 -13.248 -5.995 9.995 1.00 0.00 C ATOM 1363 O ARG A 88 -14.313 -5.389 10.093 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.784 -8.286 10.861 1.00 0.00 C ATOM 1365 CG ARG A 88 -13.060 -9.766 10.615 1.00 0.00 C ATOM 1366 CD ARG A 88 -12.507 -10.601 11.770 1.00 0.00 C ATOM 1367 NE ARG A 88 -13.209 -10.271 13.004 1.00 0.00 N ATOM 1368 CZ ARG A 88 -12.775 -10.709 14.181 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -11.504 -10.647 14.473 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -13.619 -11.198 15.046 1.00 0.00 N ATOM 0 H ARG A 88 -11.437 -8.215 8.832 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.225 -7.758 9.320 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.723 -8.130 11.054 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.322 -7.947 11.746 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.133 -9.933 10.516 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.601 -10.079 9.677 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.621 -11.662 11.550 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -11.440 -10.413 11.887 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.049 -9.693 12.963 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -10.844 -10.262 13.797 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -11.171 -10.983 15.377 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.612 -11.244 14.819 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -13.286 -11.534 15.950 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.074 -5.421 10.193 1.00 0.00 N ATOM 1385 CA LEU A 89 -11.988 -4.019 10.563 1.00 0.00 C ATOM 1386 C LEU A 89 -12.719 -3.153 9.547 1.00 0.00 C ATOM 1387 O LEU A 89 -13.657 -2.430 9.889 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.512 -3.592 10.620 1.00 0.00 C ATOM 1389 CG LEU A 89 -9.819 -4.203 11.856 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.304 -4.289 11.603 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -10.071 -3.324 13.100 1.00 0.00 C ATOM 0 H LEU A 89 -11.176 -5.898 10.105 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.452 -3.888 11.540 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.999 -3.913 9.713 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.443 -2.505 10.658 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.227 -5.199 12.031 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.813 -4.720 12.475 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.116 -4.918 10.733 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.908 -3.290 11.421 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.577 -3.767 13.965 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.672 -2.325 12.926 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.143 -3.259 13.289 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.243 -3.199 8.315 1.00 0.00 N ATOM 1404 CA ALA A 90 -12.809 -2.368 7.260 1.00 0.00 C ATOM 1405 C ALA A 90 -12.533 -0.916 7.637 1.00 0.00 C ATOM 1406 O ALA A 90 -13.200 0.012 7.181 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.318 -2.614 7.122 1.00 0.00 C ATOM 0 H ALA A 90 -11.472 -3.797 8.019 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.357 -2.610 6.298 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.718 -1.983 6.329 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.495 -3.661 6.877 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.813 -2.373 8.062 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.516 -0.765 8.487 1.00 0.00 N ATOM 1414 CA VAL A 91 -11.074 0.534 8.980 1.00 0.00 C ATOM 1415 C VAL A 91 -9.635 0.425 9.509 1.00 0.00 C ATOM 1416 O VAL A 91 -9.390 0.680 10.684 1.00 0.00 O ATOM 1417 CB VAL A 91 -11.991 1.006 10.126 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.436 2.311 10.739 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.407 1.258 9.592 1.00 0.00 C ATOM 0 H VAL A 91 -10.974 -1.548 8.853 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.116 1.251 8.160 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.025 0.231 10.892 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.089 2.639 11.548 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.435 2.132 11.130 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.393 3.084 9.972 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.049 1.591 10.407 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.373 2.026 8.819 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.806 0.336 9.169 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.682 0.043 8.685 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.266 -0.095 9.126 1.00 0.00 C ATOM 1431 C PRO A 92 -6.835 1.087 9.990 1.00 0.00 C ATOM 1432 O PRO A 92 -7.592 2.037 10.188 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.444 -0.173 7.818 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.434 -0.061 6.689 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.833 -0.301 7.268 1.00 0.00 C ATOM 0 HA PRO A 92 -7.118 -0.978 9.748 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.709 0.631 7.772 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.893 -1.112 7.760 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.376 0.924 6.226 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.212 -0.792 5.912 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.581 0.324 6.781 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.149 -1.336 7.138 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.608 1.021 10.492 1.00 0.00 N ATOM 1444 CA ASP A 93 -5.069 2.086 11.335 1.00 0.00 C ATOM 1445 C ASP A 93 -3.935 2.807 10.618 1.00 0.00 C ATOM 1446 O ASP A 93 -3.007 2.183 10.108 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.586 1.502 12.663 1.00 0.00 C ATOM 1448 CG ASP A 93 -5.790 1.093 13.511 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -6.758 1.833 13.521 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -5.726 0.045 14.133 1.00 0.00 O ATOM 0 H ASP A 93 -4.967 0.244 10.332 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.856 2.812 11.539 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.946 0.638 12.481 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.985 2.237 13.198 1.00 0.00 H new ATOM 1455 N SER A 94 -4.040 4.128 10.563 1.00 0.00 N ATOM 1456 CA SER A 94 -3.042 4.947 9.884 1.00 0.00 C ATOM 1457 C SER A 94 -1.637 4.576 10.332 1.00 0.00 C ATOM 1458 O SER A 94 -0.687 4.635 9.550 1.00 0.00 O ATOM 1459 CB SER A 94 -3.296 6.424 10.181 1.00 0.00 C ATOM 1460 OG SER A 94 -4.553 6.803 9.640 1.00 0.00 O ATOM 0 H SER A 94 -4.806 4.657 10.980 1.00 0.00 H new ATOM 0 HA SER A 94 -3.125 4.766 8.812 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.283 6.598 11.257 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.503 7.035 9.750 1.00 0.00 H new ATOM 0 HG SER A 94 -4.719 7.750 9.831 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.514 4.179 11.584 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.226 3.780 12.117 1.00 0.00 C ATOM 1468 C LYS A 95 0.173 2.417 11.575 1.00 0.00 C ATOM 1469 O LYS A 95 1.353 2.156 11.336 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.289 3.719 13.642 1.00 0.00 C ATOM 1471 CG LYS A 95 1.132 3.740 14.228 1.00 0.00 C ATOM 1472 CD LYS A 95 1.595 5.192 14.404 1.00 0.00 C ATOM 1473 CE LYS A 95 3.019 5.223 14.965 1.00 0.00 C ATOM 1474 NZ LYS A 95 3.516 6.626 14.964 1.00 0.00 N ATOM 0 H LYS A 95 -2.286 4.124 12.248 1.00 0.00 H new ATOM 0 HA LYS A 95 0.517 4.517 11.812 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.862 4.564 14.025 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.808 2.814 13.957 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.148 3.224 15.188 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.816 3.207 13.568 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.561 5.712 13.447 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.919 5.719 15.077 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.032 4.821 15.978 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.673 4.592 14.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.484 6.652 15.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.517 6.993 13.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.895 7.215 15.556 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.814 1.543 11.397 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.542 0.204 10.905 1.00 0.00 C ATOM 1490 C CYS A 96 -0.027 0.253 9.471 1.00 0.00 C ATOM 1491 O CYS A 96 1.020 -0.311 9.153 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.823 -0.643 10.957 1.00 0.00 C ATOM 1493 SG CYS A 96 -2.044 -1.307 12.625 1.00 0.00 S ATOM 0 H CYS A 96 -1.797 1.738 11.585 1.00 0.00 H new ATOM 0 HA CYS A 96 0.221 -0.246 11.540 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.684 -0.035 10.679 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -1.762 -1.458 10.235 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.129 -2.021 12.667 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.773 0.942 8.616 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.391 1.072 7.221 1.00 0.00 C ATOM 1501 C VAL A 97 0.955 1.756 7.145 1.00 0.00 C ATOM 1502 O VAL A 97 1.840 1.339 6.404 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.419 1.926 6.475 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -0.958 2.157 5.034 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.778 1.222 6.477 1.00 0.00 C ATOM 0 H VAL A 97 -1.641 1.416 8.865 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.343 0.082 6.767 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.513 2.889 6.978 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.695 2.765 4.509 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.002 2.673 5.037 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.853 1.198 4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.506 1.834 5.945 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.687 0.255 5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.110 1.075 7.505 1.00 0.00 H new ATOM 1515 N TYR A 98 1.103 2.808 7.930 1.00 0.00 N ATOM 1516 CA TYR A 98 2.341 3.555 7.948 1.00 0.00 C ATOM 1517 C TYR A 98 3.492 2.650 8.340 1.00 0.00 C ATOM 1518 O TYR A 98 4.509 2.592 7.651 1.00 0.00 O ATOM 1519 CB TYR A 98 2.225 4.697 8.966 1.00 0.00 C ATOM 1520 CG TYR A 98 3.557 5.398 9.100 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.561 4.839 9.899 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.787 6.599 8.424 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.797 5.477 10.019 1.00 0.00 C ATOM 1524 CE2 TYR A 98 5.026 7.242 8.548 1.00 0.00 C ATOM 1525 CZ TYR A 98 6.030 6.681 9.344 1.00 0.00 C ATOM 1526 OH TYR A 98 7.252 7.309 9.460 1.00 0.00 O ATOM 0 H TYR A 98 0.383 3.161 8.560 1.00 0.00 H new ATOM 0 HA TYR A 98 2.530 3.959 6.953 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.461 5.406 8.646 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.911 4.304 9.933 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.379 3.913 10.424 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.012 7.031 7.808 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.573 5.042 10.632 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.206 8.172 8.028 1.00 0.00 H new ATOM 0 HH TYR A 98 7.249 8.132 8.928 1.00 0.00 H new ATOM 1536 N THR A 99 3.323 1.942 9.444 1.00 0.00 N ATOM 1537 CA THR A 99 4.364 1.055 9.922 1.00 0.00 C ATOM 1538 C THR A 99 4.705 0.024 8.859 1.00 0.00 C ATOM 1539 O THR A 99 5.880 -0.255 8.612 1.00 0.00 O ATOM 1540 CB THR A 99 3.912 0.343 11.202 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.395 1.300 12.120 1.00 0.00 O ATOM 1542 CG2 THR A 99 5.102 -0.382 11.835 1.00 0.00 C ATOM 0 H THR A 99 2.482 1.965 10.020 1.00 0.00 H new ATOM 0 HA THR A 99 5.250 1.651 10.140 1.00 0.00 H new ATOM 0 HB THR A 99 3.136 -0.383 10.957 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.426 1.379 11.999 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.778 -0.887 12.745 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.496 -1.116 11.133 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.881 0.341 12.079 1.00 0.00 H new ATOM 1550 N TYR A 100 3.680 -0.533 8.225 1.00 0.00 N ATOM 1551 CA TYR A 100 3.878 -1.534 7.191 1.00 0.00 C ATOM 1552 C TYR A 100 4.669 -0.946 6.031 1.00 0.00 C ATOM 1553 O TYR A 100 5.668 -1.509 5.583 1.00 0.00 O ATOM 1554 CB TYR A 100 2.512 -1.969 6.672 1.00 0.00 C ATOM 1555 CG TYR A 100 2.686 -3.150 5.755 1.00 0.00 C ATOM 1556 CD1 TYR A 100 2.883 -2.946 4.388 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.644 -4.447 6.273 1.00 0.00 C ATOM 1558 CE1 TYR A 100 3.037 -4.045 3.532 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.799 -5.547 5.422 1.00 0.00 C ATOM 1560 CZ TYR A 100 2.994 -5.347 4.050 1.00 0.00 C ATOM 1561 OH TYR A 100 3.149 -6.430 3.209 1.00 0.00 O ATOM 0 H TYR A 100 2.703 -0.306 8.411 1.00 0.00 H new ATOM 0 HA TYR A 100 4.426 -2.379 7.609 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.860 -2.233 7.505 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.033 -1.147 6.140 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.917 -1.942 3.991 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.492 -4.601 7.331 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.189 -3.889 2.474 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.768 -6.549 5.823 1.00 0.00 H new ATOM 0 HH TYR A 100 4.017 -6.853 3.377 1.00 0.00 H new ATOM 1571 N ILE A 101 4.196 0.204 5.560 1.00 0.00 N ATOM 1572 CA ILE A 101 4.834 0.903 4.457 1.00 0.00 C ATOM 1573 C ILE A 101 6.253 1.282 4.858 1.00 0.00 C ATOM 1574 O ILE A 101 7.187 1.177 4.064 1.00 0.00 O ATOM 1575 CB ILE A 101 4.025 2.163 4.098 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.672 1.773 3.456 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.819 3.056 3.139 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.869 0.958 2.164 1.00 0.00 C ATOM 0 H ILE A 101 3.368 0.671 5.930 1.00 0.00 H new ATOM 0 HA ILE A 101 4.870 0.253 3.583 1.00 0.00 H new ATOM 0 HB ILE A 101 3.832 2.717 5.017 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.086 1.191 4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 101 2.101 2.675 3.234 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.232 3.942 2.896 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.753 3.358 3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.038 2.504 2.225 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.897 0.703 1.743 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.433 1.550 1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.417 0.044 2.391 1.00 0.00 H new ATOM 1590 N GLN A 102 6.395 1.726 6.102 1.00 0.00 N ATOM 1591 CA GLN A 102 7.692 2.126 6.628 1.00 0.00 C ATOM 1592 C GLN A 102 8.734 1.048 6.377 1.00 0.00 C ATOM 1593 O GLN A 102 9.741 1.277 5.708 1.00 0.00 O ATOM 1594 CB GLN A 102 7.584 2.347 8.138 1.00 0.00 C ATOM 1595 CG GLN A 102 8.798 3.141 8.622 1.00 0.00 C ATOM 1596 CD GLN A 102 8.728 3.342 10.133 1.00 0.00 C ATOM 1597 OE1 GLN A 102 8.395 2.413 10.868 1.00 0.00 O ATOM 1598 NE2 GLN A 102 9.025 4.506 10.642 1.00 0.00 N ATOM 0 H GLN A 102 5.625 1.818 6.765 1.00 0.00 H new ATOM 0 HA GLN A 102 7.994 3.044 6.124 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.666 2.885 8.373 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.533 1.388 8.654 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.715 2.613 8.360 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.833 4.108 8.120 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.301 5.275 10.031 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.981 4.647 11.651 1.00 0.00 H new ATOM 1607 N GLU A 103 8.495 -0.125 6.940 1.00 0.00 N ATOM 1608 CA GLU A 103 9.434 -1.225 6.786 1.00 0.00 C ATOM 1609 C GLU A 103 9.608 -1.546 5.309 1.00 0.00 C ATOM 1610 O GLU A 103 10.725 -1.739 4.823 1.00 0.00 O ATOM 1611 CB GLU A 103 8.917 -2.451 7.540 1.00 0.00 C ATOM 1612 CG GLU A 103 8.995 -2.198 9.049 1.00 0.00 C ATOM 1613 CD GLU A 103 8.267 -3.305 9.802 1.00 0.00 C ATOM 1614 OE1 GLU A 103 7.699 -4.164 9.149 1.00 0.00 O ATOM 1615 OE2 GLU A 103 8.276 -3.272 11.022 1.00 0.00 O ATOM 0 H GLU A 103 7.670 -0.339 7.501 1.00 0.00 H new ATOM 0 HA GLU A 103 10.401 -0.940 7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.888 -2.662 7.249 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.508 -3.328 7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.037 -2.156 9.366 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.551 -1.232 9.287 1.00 0.00 H new ATOM 1622 N LEU A 104 8.491 -1.604 4.600 1.00 0.00 N ATOM 1623 CA LEU A 104 8.504 -1.907 3.179 1.00 0.00 C ATOM 1624 C LEU A 104 9.287 -0.854 2.408 1.00 0.00 C ATOM 1625 O LEU A 104 10.078 -1.173 1.524 1.00 0.00 O ATOM 1626 CB LEU A 104 7.063 -1.898 2.686 1.00 0.00 C ATOM 1627 CG LEU A 104 6.969 -2.344 1.219 1.00 0.00 C ATOM 1628 CD1 LEU A 104 7.358 -3.825 1.083 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.529 -2.147 0.733 1.00 0.00 C ATOM 0 H LEU A 104 7.561 -1.444 4.988 1.00 0.00 H new ATOM 0 HA LEU A 104 8.976 -2.877 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.460 -2.559 3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.648 -0.896 2.790 1.00 0.00 H new ATOM 0 HG LEU A 104 7.654 -1.747 0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.286 -4.126 0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.381 -3.966 1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.683 -4.435 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.450 -2.460 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.854 -2.745 1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.258 -1.095 0.817 1.00 0.00 H new ATOM 1641 N TYR A 105 9.056 0.404 2.757 1.00 0.00 N ATOM 1642 CA TYR A 105 9.733 1.511 2.099 1.00 0.00 C ATOM 1643 C TYR A 105 11.228 1.296 2.146 1.00 0.00 C ATOM 1644 O TYR A 105 11.936 1.467 1.155 1.00 0.00 O ATOM 1645 CB TYR A 105 9.390 2.803 2.838 1.00 0.00 C ATOM 1646 CG TYR A 105 10.147 3.959 2.235 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.762 4.472 0.994 1.00 0.00 C ATOM 1648 CD2 TYR A 105 11.231 4.521 2.922 1.00 0.00 C ATOM 1649 CE1 TYR A 105 10.459 5.546 0.437 1.00 0.00 C ATOM 1650 CE2 TYR A 105 11.930 5.597 2.365 1.00 0.00 C ATOM 1651 CZ TYR A 105 11.542 6.110 1.121 1.00 0.00 C ATOM 1652 OH TYR A 105 12.228 7.171 0.569 1.00 0.00 O ATOM 0 H TYR A 105 8.405 0.683 3.492 1.00 0.00 H new ATOM 0 HA TYR A 105 9.411 1.573 1.059 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.318 2.991 2.781 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.641 2.705 3.894 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.926 4.038 0.466 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.527 4.123 3.882 1.00 0.00 H new ATOM 0 HE1 TYR A 105 10.162 5.942 -0.523 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.766 6.031 2.893 1.00 0.00 H new ATOM 0 HH TYR A 105 12.950 7.443 1.173 1.00 0.00 H new ATOM 1662 N ARG A 106 11.694 0.948 3.324 1.00 0.00 N ATOM 1663 CA ARG A 106 13.109 0.726 3.537 1.00 0.00 C ATOM 1664 C ARG A 106 13.625 -0.395 2.642 1.00 0.00 C ATOM 1665 O ARG A 106 14.699 -0.275 2.056 1.00 0.00 O ATOM 1666 CB ARG A 106 13.328 0.402 5.010 1.00 0.00 C ATOM 1667 CG ARG A 106 13.104 1.679 5.819 1.00 0.00 C ATOM 1668 CD ARG A 106 13.237 1.384 7.309 1.00 0.00 C ATOM 1669 NE ARG A 106 12.984 2.594 8.082 1.00 0.00 N ATOM 1670 CZ ARG A 106 13.953 3.471 8.316 1.00 0.00 C ATOM 1671 NH1 ARG A 106 14.915 3.168 9.145 1.00 0.00 N ATOM 1672 NH2 ARG A 106 13.945 4.627 7.715 1.00 0.00 N ATOM 0 H ARG A 106 11.114 0.812 4.152 1.00 0.00 H new ATOM 0 HA ARG A 106 13.668 1.624 3.274 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.640 -0.379 5.334 1.00 0.00 H new ATOM 0 HB3 ARG A 106 14.337 0.023 5.170 1.00 0.00 H new ATOM 0 HG2 ARG A 106 13.829 2.438 5.524 1.00 0.00 H new ATOM 0 HG3 ARG A 106 12.115 2.084 5.607 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.532 0.604 7.598 1.00 0.00 H new ATOM 0 HD3 ARG A 106 14.236 1.007 7.526 1.00 0.00 H new ATOM 0 HE ARG A 106 12.048 2.769 8.449 1.00 0.00 H new ATOM 0 HH11 ARG A 106 14.920 2.260 9.610 1.00 0.00 H new ATOM 0 HH12 ARG A 106 15.661 3.839 9.327 1.00 0.00 H new ATOM 0 HH21 ARG A 106 13.194 4.858 7.065 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.690 5.301 7.895 1.00 0.00 H new ATOM 1686 N SER A 107 12.853 -1.466 2.510 1.00 0.00 N ATOM 1687 CA SER A 107 13.273 -2.566 1.648 1.00 0.00 C ATOM 1688 C SER A 107 13.466 -2.060 0.217 1.00 0.00 C ATOM 1689 O SER A 107 14.436 -2.419 -0.449 1.00 0.00 O ATOM 1690 CB SER A 107 12.232 -3.685 1.667 1.00 0.00 C ATOM 1691 OG SER A 107 12.479 -4.574 0.587 1.00 0.00 O ATOM 0 H SER A 107 11.955 -1.597 2.975 1.00 0.00 H new ATOM 0 HA SER A 107 14.218 -2.961 2.020 1.00 0.00 H new ATOM 0 HB2 SER A 107 12.277 -4.223 2.614 1.00 0.00 H new ATOM 0 HB3 SER A 107 11.229 -3.266 1.586 1.00 0.00 H new ATOM 0 HG SER A 107 11.814 -5.294 0.597 1.00 0.00 H new ATOM 1697 N LEU A 108 12.536 -1.224 -0.249 1.00 0.00 N ATOM 1698 CA LEU A 108 12.609 -0.675 -1.600 1.00 0.00 C ATOM 1699 C LEU A 108 13.864 0.169 -1.776 1.00 0.00 C ATOM 1700 O LEU A 108 14.485 0.159 -2.840 1.00 0.00 O ATOM 1701 CB LEU A 108 11.401 0.221 -1.883 1.00 0.00 C ATOM 1702 CG LEU A 108 10.090 -0.568 -1.786 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.913 0.393 -1.994 1.00 0.00 C ATOM 1704 CD2 LEU A 108 10.047 -1.666 -2.858 1.00 0.00 C ATOM 0 H LEU A 108 11.727 -0.914 0.289 1.00 0.00 H new ATOM 0 HA LEU A 108 12.626 -1.519 -2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.384 1.048 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.493 0.657 -2.878 1.00 0.00 H new ATOM 0 HG LEU A 108 10.025 -1.035 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.976 -0.160 -1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.934 1.166 -1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.991 0.856 -2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 108 9.110 -2.218 -2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.116 -1.212 -3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.884 -2.349 -2.713 1.00 0.00 H new ATOM 1716 N VAL A 109 14.217 0.921 -0.742 1.00 0.00 N ATOM 1717 CA VAL A 109 15.385 1.784 -0.810 1.00 0.00 C ATOM 1718 C VAL A 109 16.645 0.958 -1.026 1.00 0.00 C ATOM 1719 O VAL A 109 17.467 1.280 -1.885 1.00 0.00 O ATOM 1720 CB VAL A 109 15.492 2.603 0.480 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.830 3.342 0.519 1.00 0.00 C ATOM 1722 CG2 VAL A 109 14.353 3.622 0.520 1.00 0.00 C ATOM 0 H VAL A 109 13.715 0.950 0.146 1.00 0.00 H new ATOM 0 HA VAL A 109 15.278 2.464 -1.655 1.00 0.00 H new ATOM 0 HB VAL A 109 15.427 1.935 1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.899 3.922 1.439 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.646 2.620 0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 109 16.901 4.012 -0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.422 4.209 1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.427 4.284 -0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.397 3.100 0.495 1.00 0.00 H new ATOM 1732 N GLN A 110 16.792 -0.114 -0.257 1.00 0.00 N ATOM 1733 CA GLN A 110 17.958 -0.968 -0.404 1.00 0.00 C ATOM 1734 C GLN A 110 17.938 -1.604 -1.784 1.00 0.00 C ATOM 1735 O GLN A 110 18.930 -1.578 -2.514 1.00 0.00 O ATOM 1736 CB GLN A 110 17.962 -2.069 0.671 1.00 0.00 C ATOM 1737 CG GLN A 110 17.387 -1.533 2.007 1.00 0.00 C ATOM 1738 CD GLN A 110 18.190 -2.059 3.198 1.00 0.00 C ATOM 1739 OE1 GLN A 110 17.683 -2.856 3.989 1.00 0.00 O ATOM 1740 NE2 GLN A 110 19.420 -1.656 3.373 1.00 0.00 N ATOM 0 H GLN A 110 16.130 -0.407 0.462 1.00 0.00 H new ATOM 0 HA GLN A 110 18.857 -0.364 -0.284 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.371 -2.919 0.330 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.979 -2.429 0.826 1.00 0.00 H new ATOM 0 HG2 GLN A 110 17.405 -0.443 2.004 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.344 -1.834 2.105 1.00 0.00 H new ATOM 0 HE21 GLN A 110 19.839 -0.996 2.717 1.00 0.00 H new ATOM 0 HE22 GLN A 110 19.962 -2.001 4.165 1.00 0.00 H new ATOM 1749 N LYS A 111 16.792 -2.179 -2.127 1.00 0.00 N ATOM 1750 CA LYS A 111 16.635 -2.830 -3.423 1.00 0.00 C ATOM 1751 C LYS A 111 16.893 -1.830 -4.552 1.00 0.00 C ATOM 1752 O LYS A 111 17.161 -2.220 -5.688 1.00 0.00 O ATOM 1753 CB LYS A 111 15.215 -3.414 -3.561 1.00 0.00 C ATOM 1754 CG LYS A 111 14.980 -4.523 -2.520 1.00 0.00 C ATOM 1755 CD LYS A 111 15.633 -5.836 -2.987 1.00 0.00 C ATOM 1756 CE LYS A 111 15.220 -6.981 -2.056 1.00 0.00 C ATOM 1757 NZ LYS A 111 15.756 -6.736 -0.686 1.00 0.00 N ATOM 0 H LYS A 111 15.964 -2.208 -1.532 1.00 0.00 H new ATOM 0 HA LYS A 111 17.360 -3.641 -3.492 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.477 -2.623 -3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 111 15.077 -3.816 -4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.396 -4.223 -1.558 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.910 -4.673 -2.372 1.00 0.00 H new ATOM 0 HD2 LYS A 111 15.330 -6.060 -4.010 1.00 0.00 H new ATOM 0 HD3 LYS A 111 16.718 -5.732 -2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 111 14.133 -7.061 -2.022 1.00 0.00 H new ATOM 0 HE3 LYS A 111 15.598 -7.929 -2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 15.637 -7.593 -0.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 16.766 -6.496 -0.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.239 -5.948 -0.247 1.00 0.00 H new ATOM 1771 N GLY A 112 16.802 -0.538 -4.230 1.00 0.00 N ATOM 1772 CA GLY A 112 17.021 0.510 -5.230 1.00 0.00 C ATOM 1773 C GLY A 112 15.803 0.611 -6.133 1.00 0.00 C ATOM 1774 O GLY A 112 15.866 1.140 -7.245 1.00 0.00 O ATOM 0 H GLY A 112 16.581 -0.194 -3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.202 1.465 -4.737 1.00 0.00 H new ATOM 0 HA3 GLY A 112 17.908 0.283 -5.822 1.00 0.00 H new ATOM 1778 N LEU A 113 14.696 0.103 -5.617 1.00 0.00 N ATOM 1779 CA LEU A 113 13.425 0.123 -6.320 1.00 0.00 C ATOM 1780 C LEU A 113 12.819 1.528 -6.327 1.00 0.00 C ATOM 1781 O LEU A 113 12.280 1.981 -7.339 1.00 0.00 O ATOM 1782 CB LEU A 113 12.470 -0.860 -5.623 1.00 0.00 C ATOM 1783 CG LEU A 113 12.766 -2.303 -6.062 1.00 0.00 C ATOM 1784 CD1 LEU A 113 12.017 -3.270 -5.136 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.309 -2.530 -7.521 1.00 0.00 C ATOM 0 H LEU A 113 14.654 -0.336 -4.697 1.00 0.00 H new ATOM 0 HA LEU A 113 13.583 -0.172 -7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.576 -0.774 -4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.438 -0.605 -5.863 1.00 0.00 H new ATOM 0 HG LEU A 113 13.840 -2.481 -6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.221 -4.297 -5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.351 -3.123 -4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.946 -3.079 -5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.526 -3.557 -7.815 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.237 -2.350 -7.599 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.841 -1.844 -8.180 1.00 0.00 H new ATOM 1797 N VAL A 114 12.880 2.195 -5.175 1.00 0.00 N ATOM 1798 CA VAL A 114 12.297 3.532 -5.046 1.00 0.00 C ATOM 1799 C VAL A 114 12.714 4.438 -6.207 1.00 0.00 C ATOM 1800 O VAL A 114 11.893 4.786 -7.054 1.00 0.00 O ATOM 1801 CB VAL A 114 12.702 4.140 -3.680 1.00 0.00 C ATOM 1802 CG1 VAL A 114 12.222 5.594 -3.561 1.00 0.00 C ATOM 1803 CG2 VAL A 114 12.083 3.308 -2.535 1.00 0.00 C ATOM 0 H VAL A 114 13.321 1.838 -4.327 1.00 0.00 H new ATOM 0 HA VAL A 114 11.211 3.449 -5.087 1.00 0.00 H new ATOM 0 HB VAL A 114 13.790 4.123 -3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.519 5.997 -2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 114 12.669 6.191 -4.356 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.136 5.627 -3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 114 12.370 3.739 -1.576 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.997 3.316 -2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 114 12.445 2.281 -2.595 1.00 0.00 H new ATOM 1813 N LYS A 115 13.988 4.790 -6.259 1.00 0.00 N ATOM 1814 CA LYS A 115 14.504 5.645 -7.336 1.00 0.00 C ATOM 1815 C LYS A 115 14.753 4.819 -8.595 1.00 0.00 C ATOM 1816 O LYS A 115 15.568 3.897 -8.593 1.00 0.00 O ATOM 1817 CB LYS A 115 15.805 6.321 -6.888 1.00 0.00 C ATOM 1818 CG LYS A 115 16.335 7.227 -8.009 1.00 0.00 C ATOM 1819 CD LYS A 115 17.525 8.060 -7.503 1.00 0.00 C ATOM 1820 CE LYS A 115 18.798 7.202 -7.457 1.00 0.00 C ATOM 1821 NZ LYS A 115 19.966 8.061 -7.106 1.00 0.00 N ATOM 0 H LYS A 115 14.688 4.503 -5.575 1.00 0.00 H new ATOM 0 HA LYS A 115 13.762 6.411 -7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 115 15.629 6.908 -5.987 1.00 0.00 H new ATOM 0 HB3 LYS A 115 16.550 5.566 -6.636 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.643 6.621 -8.861 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.542 7.888 -8.358 1.00 0.00 H new ATOM 0 HD2 LYS A 115 17.681 8.918 -8.157 1.00 0.00 H new ATOM 0 HD3 LYS A 115 17.307 8.452 -6.510 1.00 0.00 H new ATOM 0 HE2 LYS A 115 18.686 6.405 -6.722 1.00 0.00 H new ATOM 0 HE3 LYS A 115 18.962 6.724 -8.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 20.839 7.498 -7.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 20.026 8.855 -7.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 19.848 8.429 -6.141 1.00 0.00 H new ATOM 1835 N THR A 116 14.034 5.153 -9.668 1.00 0.00 N ATOM 1836 CA THR A 116 14.176 4.430 -10.930 1.00 0.00 C ATOM 1837 C THR A 116 15.312 4.999 -11.767 1.00 0.00 C ATOM 1838 O THR A 116 16.252 4.291 -12.129 1.00 0.00 O ATOM 1839 CB THR A 116 12.868 4.509 -11.729 1.00 0.00 C ATOM 1840 OG1 THR A 116 12.376 5.841 -11.700 1.00 0.00 O ATOM 1841 CG2 THR A 116 11.830 3.564 -11.120 1.00 0.00 C ATOM 0 H THR A 116 13.354 5.913 -9.688 1.00 0.00 H new ATOM 0 HA THR A 116 14.405 3.390 -10.696 1.00 0.00 H new ATOM 0 HB THR A 116 13.058 4.214 -12.761 1.00 0.00 H new ATOM 0 HG1 THR A 116 11.542 5.893 -12.211 1.00 0.00 H new ATOM 0 HG21 THR A 116 10.904 3.624 -11.691 1.00 0.00 H new ATOM 0 HG22 THR A 116 12.208 2.542 -11.148 1.00 0.00 H new ATOM 0 HG23 THR A 116 11.638 3.852 -10.086 1.00 0.00 H new ATOM 1849 N LYS A 117 15.209 6.276 -12.088 1.00 0.00 N ATOM 1850 CA LYS A 117 16.225 6.944 -12.907 1.00 0.00 C ATOM 1851 C LYS A 117 17.211 7.721 -12.036 1.00 0.00 C ATOM 1852 O LYS A 117 17.078 7.765 -10.818 1.00 0.00 O ATOM 1853 CB LYS A 117 15.546 7.907 -13.888 1.00 0.00 C ATOM 1854 CG LYS A 117 15.175 7.163 -15.171 1.00 0.00 C ATOM 1855 CD LYS A 117 14.190 6.042 -14.842 1.00 0.00 C ATOM 1856 CE LYS A 117 13.687 5.408 -16.138 1.00 0.00 C ATOM 1857 NZ LYS A 117 12.768 4.281 -15.817 1.00 0.00 N ATOM 0 H LYS A 117 14.437 6.877 -11.799 1.00 0.00 H new ATOM 0 HA LYS A 117 16.776 6.180 -13.456 1.00 0.00 H new ATOM 0 HB2 LYS A 117 14.652 8.334 -13.433 1.00 0.00 H new ATOM 0 HB3 LYS A 117 16.214 8.737 -14.118 1.00 0.00 H new ATOM 0 HG2 LYS A 117 14.731 7.853 -15.889 1.00 0.00 H new ATOM 0 HG3 LYS A 117 16.070 6.750 -15.637 1.00 0.00 H new ATOM 0 HD2 LYS A 117 14.674 5.289 -14.220 1.00 0.00 H new ATOM 0 HD3 LYS A 117 13.351 6.437 -14.269 1.00 0.00 H new ATOM 0 HE2 LYS A 117 13.169 6.153 -16.742 1.00 0.00 H new ATOM 0 HE3 LYS A 117 14.529 5.047 -16.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 12.426 3.850 -16.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 13.276 3.567 -15.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 11.959 4.638 -15.270 1.00 0.00 H new ATOM 1871 N LYS A 118 18.200 8.345 -12.674 1.00 0.00 N ATOM 1872 CA LYS A 118 19.198 9.125 -11.945 1.00 0.00 C ATOM 1873 C LYS A 118 19.690 10.286 -12.805 1.00 0.00 C ATOM 1874 O LYS A 118 20.320 10.079 -13.841 1.00 0.00 O ATOM 1875 CB LYS A 118 20.370 8.215 -11.554 1.00 0.00 C ATOM 1876 CG LYS A 118 21.317 8.938 -10.587 1.00 0.00 C ATOM 1877 CD LYS A 118 22.379 7.954 -10.073 1.00 0.00 C ATOM 1878 CE LYS A 118 23.303 7.526 -11.219 1.00 0.00 C ATOM 1879 NZ LYS A 118 24.568 6.975 -10.657 1.00 0.00 N ATOM 0 H LYS A 118 18.331 8.326 -13.685 1.00 0.00 H new ATOM 0 HA LYS A 118 18.747 9.535 -11.041 1.00 0.00 H new ATOM 0 HB2 LYS A 118 19.991 7.305 -11.088 1.00 0.00 H new ATOM 0 HB3 LYS A 118 20.916 7.912 -12.448 1.00 0.00 H new ATOM 0 HG2 LYS A 118 21.797 9.776 -11.091 1.00 0.00 H new ATOM 0 HG3 LYS A 118 20.753 9.350 -9.750 1.00 0.00 H new ATOM 0 HD2 LYS A 118 22.963 8.420 -9.280 1.00 0.00 H new ATOM 0 HD3 LYS A 118 21.895 7.079 -9.640 1.00 0.00 H new ATOM 0 HE2 LYS A 118 22.810 6.776 -11.837 1.00 0.00 H new ATOM 0 HE3 LYS A 118 23.519 8.378 -11.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 25.195 6.684 -11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 25.040 7.704 -10.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 24.353 6.151 -10.059 1.00 0.00 H new ATOM 1893 N LYS A 119 19.390 11.510 -12.374 1.00 0.00 N ATOM 1894 CA LYS A 119 19.805 12.696 -13.121 1.00 0.00 C ATOM 1895 C LYS A 119 21.136 13.220 -12.593 1.00 0.00 C ATOM 1896 O LYS A 119 21.841 13.860 -13.356 1.00 0.00 O ATOM 1897 CB LYS A 119 18.740 13.791 -13.002 1.00 0.00 C ATOM 1898 CG LYS A 119 19.122 14.987 -13.879 1.00 0.00 C ATOM 1899 CD LYS A 119 18.021 16.047 -13.792 1.00 0.00 C ATOM 1900 CE LYS A 119 18.385 17.246 -14.670 1.00 0.00 C ATOM 1901 NZ LYS A 119 18.153 16.901 -16.102 1.00 0.00 N ATOM 1902 OXT LYS A 119 21.431 12.972 -11.436 1.00 0.00 O ATOM 0 H LYS A 119 18.867 11.706 -11.521 1.00 0.00 H new ATOM 0 HA LYS A 119 19.924 12.419 -14.169 1.00 0.00 H new ATOM 0 HB2 LYS A 119 17.769 13.401 -13.307 1.00 0.00 H new ATOM 0 HB3 LYS A 119 18.645 14.106 -11.963 1.00 0.00 H new ATOM 0 HG2 LYS A 119 20.073 15.406 -13.550 1.00 0.00 H new ATOM 0 HG3 LYS A 119 19.255 14.668 -14.913 1.00 0.00 H new ATOM 0 HD2 LYS A 119 17.070 15.624 -14.115 1.00 0.00 H new ATOM 0 HD3 LYS A 119 17.893 16.367 -12.758 1.00 0.00 H new ATOM 0 HE2 LYS A 119 17.783 18.111 -14.391 1.00 0.00 H new ATOM 0 HE3 LYS A 119 19.428 17.520 -14.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 18.269 17.753 -16.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 18.840 16.179 -16.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 17.188 16.530 -16.218 1.00 0.00 H new TER 1916 LYS A 119