USER MOD reduce.3.24.130724 H: found=0, std=0, add=1200, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1197 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: B 60 ASN : amide:sc= 0.726 K(o=1.8,f=-1.1!) USER MOD Set 1.2: B 62 GLN : amide:sc= 1.04 K(o=1.8,f=-0.37) USER MOD Set 2.1: B 55 THR OG1 : rot -59:sc= 1.17 USER MOD Set 2.2: B 57 SER OG : rot -174:sc= -0.214 USER MOD Set 3.1: B 6 LYS NZ :NH3+ 178:sc= 1.22 (180deg=0) USER MOD Set 3.2: B 12 THR OG1 : rot 126:sc= 0.241 USER MOD Set 4.1: B 7 THR OG1 : rot 180:sc= 0.0482 USER MOD Set 4.2: B 9 THR OG1 : rot 180:sc= 0.0224 USER MOD Set 5.1: A 55 THR OG1 : rot 4:sc= 1.01 USER MOD Set 5.2: A 57 SER OG : rot -83:sc= 0.599 USER MOD Set 6.1: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 33 LYS NZ :NH3+ -146:sc= 0.816 (180deg=0.317) USER MOD Set 7.1: A 7 THR OG1 : rot -115:sc= 0.787 USER MOD Set 7.2: A 9 THR OG1 : rot -66:sc= 1.02 USER MOD Single : A 1 MET CE :methyl 180:sc= -1.4 (180deg=-1.4) USER MOD Single : A 1 MET N :NH3+ 176:sc= 2.39 (180deg=2.22) USER MOD Single : A 2 GLN : amide:sc= -1.1! K(o=-1.1!,f=-0.053) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -165:sc= 1.23 (180deg=1.17) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 144:sc= 0.216 USER MOD Single : A 25 ASN : amide:sc= 0.956 K(o=0.96,f=-1.6!) USER MOD Single : A 27 LYS NZ :NH3+ 146:sc= 1.19 (180deg=0.177) USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 0.788 (180deg=0.776) USER MOD Single : A 31 GLN : amide:sc= -0.695 K(o=-0.7,f=-1.5) USER MOD Single : A 40 GLN : amide:sc= -1.61! X(o=-1.6!,f=-1.3) USER MOD Single : A 41 GLN : amide:sc= -1.14 K(o=-1.1,f=-6.7!) USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= -0.0153 (180deg=-0.128) USER MOD Single : A 49 GLN : amide:sc= -0.724 K(o=-0.72,f=-1.9!) USER MOD Single : A 59 TYR OH : rot 15:sc= 2.09 USER MOD Single : A 60 ASN : amide:sc= -0.0683 K(o=-0.068,f=-0.97) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -126:sc= 0.618 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.679 K(o=0.68,f=-3.2!) USER MOD Single : B 1 MET CE :methyl -170:sc= -0.898 (180deg=-1.12) USER MOD Single : B 1 MET N :NH3+ -176:sc= 2.07 (180deg=2.07) USER MOD Single : B 2 GLN : amide:sc=-0.00126 X(o=-0.0013,f=-0.0013) USER MOD Single : B 11 LYS NZ :NH3+ 174:sc= 2.07 (180deg=1.86) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 180:sc= -0.727 USER MOD Single : B 25 ASN : amide:sc= 1.08 K(o=1.1,f=-1.2) USER MOD Single : B 27 LYS NZ :NH3+ 153:sc= 2.29 (180deg=1.78) USER MOD Single : B 29 LYS NZ :NH3+ -126:sc= 1.52 (180deg=-2.56!) USER MOD Single : B 31 GLN : amide:sc= -1.36 K(o=-1.4,f=-2) USER MOD Single : B 33 LYS NZ :NH3+ -161:sc= 1.15 (180deg=0.0758) USER MOD Single : B 40 GLN : amide:sc= 0.477 X(o=0.48,f=-0.00065) USER MOD Single : B 41 GLN : amide:sc= -1.78 K(o=-1.8,f=-4.6!) USER MOD Single : B 48 LYS NZ :NH3+ -161:sc= -0.175 (180deg=-0.654) USER MOD Single : B 49 GLN : amide:sc= 1.39 K(o=1.4,f=-2.8!) USER MOD Single : B 59 TYR OH : rot 180:sc= 0 USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot 117:sc= 1.08 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HD1:sc= -0.545 K(o=-0.55,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.099 23.230 8.030 1.00 0.86 N ATOM 2 CA MET A 1 -4.393 22.517 7.928 1.00 0.85 C ATOM 3 C MET A 1 -4.247 21.085 8.428 1.00 0.82 C ATOM 4 O MET A 1 -3.221 20.439 8.208 1.00 0.77 O ATOM 5 CB MET A 1 -4.917 22.532 6.483 1.00 0.81 C ATOM 6 CG MET A 1 -4.087 21.715 5.504 1.00 0.73 C ATOM 7 SD MET A 1 -4.651 21.898 3.800 1.00 0.79 S ATOM 8 CE MET A 1 -3.728 20.587 3.001 1.00 0.71 C ATOM 0 H1 MET A 1 -3.195 24.183 7.624 1.00 0.86 H new ATOM 0 H2 MET A 1 -2.822 23.306 9.030 1.00 0.86 H new ATOM 0 H3 MET A 1 -2.370 22.703 7.508 1.00 0.86 H new ATOM 0 HA MET A 1 -5.119 23.035 8.555 1.00 0.85 H new ATOM 0 HB2 MET A 1 -5.940 22.155 6.476 1.00 0.81 H new ATOM 0 HB3 MET A 1 -4.956 23.564 6.134 1.00 0.81 H new ATOM 0 HG2 MET A 1 -3.043 22.022 5.573 1.00 0.73 H new ATOM 0 HG3 MET A 1 -4.129 20.663 5.786 1.00 0.73 H new ATOM 0 HE1 MET A 1 -3.968 20.569 1.938 1.00 0.71 H new ATOM 0 HE2 MET A 1 -2.660 20.763 3.129 1.00 0.71 H new ATOM 0 HE3 MET A 1 -3.994 19.630 3.449 1.00 0.71 H new ATOM 20 N GLN A 2 -5.268 20.607 9.119 1.00 0.85 N ATOM 21 CA GLN A 2 -5.266 19.260 9.666 1.00 0.84 C ATOM 22 C GLN A 2 -5.680 18.230 8.620 1.00 0.75 C ATOM 23 O GLN A 2 -6.502 18.508 7.742 1.00 0.76 O ATOM 24 CB GLN A 2 -6.209 19.183 10.868 1.00 0.95 C ATOM 25 CG GLN A 2 -6.129 17.866 11.620 1.00 1.04 C ATOM 26 CD GLN A 2 -7.253 17.684 12.624 1.00 1.15 C ATOM 27 OE1 GLN A 2 -7.060 17.085 13.680 1.00 1.32 O ATOM 28 NE2 GLN A 2 -8.440 18.174 12.295 1.00 1.48 N ATOM 0 H GLN A 2 -6.117 21.137 9.316 1.00 0.85 H new ATOM 0 HA GLN A 2 -4.248 19.030 9.982 1.00 0.84 H new ATOM 0 HB2 GLN A 2 -5.977 19.998 11.554 1.00 0.95 H new ATOM 0 HB3 GLN A 2 -7.233 19.335 10.526 1.00 0.95 H new ATOM 0 HG2 GLN A 2 -6.152 17.044 10.905 1.00 1.04 H new ATOM 0 HG3 GLN A 2 -5.173 17.809 12.140 1.00 1.04 H new ATOM 0 HE21 GLN A 2 -8.561 18.665 11.409 1.00 1.48 H new ATOM 0 HE22 GLN A 2 -9.232 18.060 12.927 1.00 1.48 H new ATOM 37 N ILE A 3 -5.108 17.039 8.734 1.00 0.67 N ATOM 38 CA ILE A 3 -5.399 15.933 7.833 1.00 0.59 C ATOM 39 C ILE A 3 -5.407 14.634 8.629 1.00 0.56 C ATOM 40 O ILE A 3 -4.779 14.556 9.687 1.00 0.59 O ATOM 41 CB ILE A 3 -4.370 15.811 6.682 1.00 0.52 C ATOM 42 CG1 ILE A 3 -2.939 15.831 7.232 1.00 0.51 C ATOM 43 CG2 ILE A 3 -4.568 16.918 5.655 1.00 0.54 C ATOM 44 CD1 ILE A 3 -1.911 15.265 6.272 1.00 0.44 C ATOM 0 H ILE A 3 -4.426 16.812 9.458 1.00 0.67 H new ATOM 0 HA ILE A 3 -6.372 16.128 7.382 1.00 0.59 H new ATOM 0 HB ILE A 3 -4.532 14.856 6.183 1.00 0.52 H new ATOM 0 HG12 ILE A 3 -2.668 16.858 7.478 1.00 0.51 H new ATOM 0 HG13 ILE A 3 -2.908 15.262 8.161 1.00 0.51 H new ATOM 0 HG21 ILE A 3 -3.833 16.810 4.857 1.00 0.54 H new ATOM 0 HG22 ILE A 3 -5.572 16.850 5.235 1.00 0.54 H new ATOM 0 HG23 ILE A 3 -4.441 17.888 6.136 1.00 0.54 H new ATOM 0 HD11 ILE A 3 -0.922 15.312 6.729 1.00 0.44 H new ATOM 0 HD12 ILE A 3 -2.157 14.228 6.045 1.00 0.44 H new ATOM 0 HD13 ILE A 3 -1.913 15.848 5.351 1.00 0.44 H new ATOM 56 N PHE A 4 -6.111 13.629 8.134 1.00 0.54 N ATOM 57 CA PHE A 4 -6.190 12.348 8.827 1.00 0.55 C ATOM 58 C PHE A 4 -5.643 11.225 7.957 1.00 0.53 C ATOM 59 O PHE A 4 -6.249 10.861 6.950 1.00 0.56 O ATOM 60 CB PHE A 4 -7.638 12.023 9.210 1.00 0.59 C ATOM 61 CG PHE A 4 -8.375 13.158 9.861 1.00 0.73 C ATOM 62 CD1 PHE A 4 -8.171 13.458 11.196 1.00 0.79 C ATOM 63 CD2 PHE A 4 -9.276 13.919 9.136 1.00 0.96 C ATOM 64 CE1 PHE A 4 -8.852 14.498 11.798 1.00 0.98 C ATOM 65 CE2 PHE A 4 -9.960 14.960 9.733 1.00 1.11 C ATOM 66 CZ PHE A 4 -9.747 15.250 11.067 1.00 1.08 C ATOM 0 H PHE A 4 -6.634 13.672 7.260 1.00 0.54 H new ATOM 0 HA PHE A 4 -5.587 12.429 9.731 1.00 0.55 H new ATOM 0 HB2 PHE A 4 -8.179 11.720 8.314 1.00 0.59 H new ATOM 0 HB3 PHE A 4 -7.639 11.169 9.887 1.00 0.59 H new ATOM 0 HD1 PHE A 4 -7.471 12.872 11.774 1.00 0.79 H new ATOM 0 HD2 PHE A 4 -9.446 13.696 8.093 1.00 0.96 H new ATOM 0 HE1 PHE A 4 -8.683 14.722 12.841 1.00 0.98 H new ATOM 0 HE2 PHE A 4 -10.661 15.547 9.158 1.00 1.11 H new ATOM 0 HZ PHE A 4 -10.280 16.064 11.536 1.00 1.08 H new ATOM 76 N VAL A 5 -4.497 10.681 8.329 1.00 0.53 N ATOM 77 CA VAL A 5 -3.906 9.585 7.580 1.00 0.54 C ATOM 78 C VAL A 5 -4.032 8.301 8.391 1.00 0.57 C ATOM 79 O VAL A 5 -3.270 8.074 9.327 1.00 0.62 O ATOM 80 CB VAL A 5 -2.418 9.839 7.255 1.00 0.54 C ATOM 81 CG1 VAL A 5 -1.925 8.861 6.200 1.00 0.60 C ATOM 82 CG2 VAL A 5 -2.198 11.276 6.804 1.00 0.49 C ATOM 0 H VAL A 5 -3.959 10.979 9.142 1.00 0.53 H new ATOM 0 HA VAL A 5 -4.442 9.499 6.635 1.00 0.54 H new ATOM 0 HB VAL A 5 -1.840 9.680 8.165 1.00 0.54 H new ATOM 0 HG11 VAL A 5 -0.874 9.057 5.985 1.00 0.60 H new ATOM 0 HG12 VAL A 5 -2.036 7.841 6.569 1.00 0.60 H new ATOM 0 HG13 VAL A 5 -2.511 8.983 5.289 1.00 0.60 H new ATOM 0 HG21 VAL A 5 -1.142 11.430 6.581 1.00 0.49 H new ATOM 0 HG22 VAL A 5 -2.790 11.471 5.910 1.00 0.49 H new ATOM 0 HG23 VAL A 5 -2.504 11.957 7.598 1.00 0.49 H new ATOM 92 N LYS A 6 -5.015 7.481 8.058 1.00 0.58 N ATOM 93 CA LYS A 6 -5.238 6.237 8.777 1.00 0.61 C ATOM 94 C LYS A 6 -4.442 5.099 8.159 1.00 0.57 C ATOM 95 O LYS A 6 -4.585 4.799 6.971 1.00 0.56 O ATOM 96 CB LYS A 6 -6.728 5.884 8.788 1.00 0.68 C ATOM 97 CG LYS A 6 -7.610 6.975 9.373 1.00 0.70 C ATOM 98 CD LYS A 6 -9.026 6.479 9.607 1.00 0.83 C ATOM 99 CE LYS A 6 -9.938 7.605 10.061 1.00 1.43 C ATOM 100 NZ LYS A 6 -11.273 7.104 10.481 1.00 1.82 N ATOM 0 H LYS A 6 -5.670 7.654 7.296 1.00 0.58 H new ATOM 0 HA LYS A 6 -4.898 6.379 9.803 1.00 0.61 H new ATOM 0 HB2 LYS A 6 -7.051 5.676 7.768 1.00 0.68 H new ATOM 0 HB3 LYS A 6 -6.871 4.967 9.360 1.00 0.68 H new ATOM 0 HG2 LYS A 6 -7.185 7.323 10.315 1.00 0.70 H new ATOM 0 HG3 LYS A 6 -7.630 7.830 8.697 1.00 0.70 H new ATOM 0 HD2 LYS A 6 -9.416 6.040 8.689 1.00 0.83 H new ATOM 0 HD3 LYS A 6 -9.017 5.690 10.359 1.00 0.83 H new ATOM 0 HE2 LYS A 6 -9.472 8.137 10.891 1.00 1.43 H new ATOM 0 HE3 LYS A 6 -10.059 8.323 9.250 1.00 1.43 H new ATOM 0 HZ1 LYS A 6 -11.865 7.904 10.783 1.00 1.82 H new ATOM 0 HZ2 LYS A 6 -11.729 6.619 9.682 1.00 1.82 H new ATOM 0 HZ3 LYS A 6 -11.161 6.438 11.272 1.00 1.82 H new ATOM 114 N THR A 7 -3.594 4.479 8.961 1.00 0.59 N ATOM 115 CA THR A 7 -2.792 3.364 8.495 1.00 0.58 C ATOM 116 C THR A 7 -3.595 2.074 8.623 1.00 0.61 C ATOM 117 O THR A 7 -4.517 1.987 9.441 1.00 0.67 O ATOM 118 CB THR A 7 -1.460 3.246 9.277 1.00 0.60 C ATOM 119 OG1 THR A 7 -0.648 2.201 8.727 1.00 1.25 O ATOM 120 CG2 THR A 7 -1.704 2.966 10.748 1.00 0.94 C ATOM 0 H THR A 7 -3.444 4.730 9.938 1.00 0.59 H new ATOM 0 HA THR A 7 -2.540 3.540 7.449 1.00 0.58 H new ATOM 0 HB THR A 7 -0.942 4.201 9.185 1.00 0.60 H new ATOM 0 HG1 THR A 7 -0.537 1.489 9.391 1.00 1.25 H new ATOM 0 HG21 THR A 7 -0.749 2.889 11.267 1.00 0.94 H new ATOM 0 HG22 THR A 7 -2.288 3.778 11.181 1.00 0.94 H new ATOM 0 HG23 THR A 7 -2.251 2.029 10.854 1.00 0.94 H new ATOM 128 N LEU A 8 -3.250 1.078 7.820 1.00 0.63 N ATOM 129 CA LEU A 8 -3.950 -0.203 7.845 1.00 0.69 C ATOM 130 C LEU A 8 -3.630 -0.974 9.121 1.00 0.72 C ATOM 131 O LEU A 8 -4.224 -2.014 9.399 1.00 0.82 O ATOM 132 CB LEU A 8 -3.604 -1.036 6.606 1.00 0.78 C ATOM 133 CG LEU A 8 -4.483 -0.765 5.379 1.00 0.95 C ATOM 134 CD1 LEU A 8 -4.141 0.582 4.760 1.00 1.58 C ATOM 135 CD2 LEU A 8 -4.334 -1.874 4.350 1.00 1.89 C ATOM 0 H LEU A 8 -2.490 1.130 7.142 1.00 0.63 H new ATOM 0 HA LEU A 8 -5.021 -0.002 7.832 1.00 0.69 H new ATOM 0 HB2 LEU A 8 -2.564 -0.848 6.339 1.00 0.78 H new ATOM 0 HB3 LEU A 8 -3.681 -2.092 6.863 1.00 0.78 H new ATOM 0 HG LEU A 8 -5.522 -0.741 5.708 1.00 0.95 H new ATOM 0 HD11 LEU A 8 -4.776 0.755 3.891 1.00 1.58 H new ATOM 0 HD12 LEU A 8 -4.306 1.372 5.493 1.00 1.58 H new ATOM 0 HD13 LEU A 8 -3.095 0.586 4.452 1.00 1.58 H new ATOM 0 HD21 LEU A 8 -4.967 -1.659 3.489 1.00 1.89 H new ATOM 0 HD22 LEU A 8 -3.294 -1.935 4.029 1.00 1.89 H new ATOM 0 HD23 LEU A 8 -4.634 -2.824 4.793 1.00 1.89 H new ATOM 147 N THR A 9 -2.688 -0.451 9.896 1.00 0.67 N ATOM 148 CA THR A 9 -2.295 -1.064 11.152 1.00 0.72 C ATOM 149 C THR A 9 -3.298 -0.728 12.259 1.00 0.79 C ATOM 150 O THR A 9 -3.310 -1.358 13.315 1.00 0.93 O ATOM 151 CB THR A 9 -0.886 -0.597 11.557 1.00 0.67 C ATOM 152 OG1 THR A 9 -0.199 -0.101 10.395 1.00 1.02 O ATOM 153 CG2 THR A 9 -0.086 -1.735 12.173 1.00 0.80 C ATOM 0 H THR A 9 -2.180 0.404 9.671 1.00 0.67 H new ATOM 0 HA THR A 9 -2.284 -2.145 11.013 1.00 0.72 H new ATOM 0 HB THR A 9 -0.984 0.193 12.302 1.00 0.67 H new ATOM 0 HG1 THR A 9 -0.036 -0.839 9.771 1.00 1.02 H new ATOM 0 HG21 THR A 9 0.905 -1.375 12.449 1.00 0.80 H new ATOM 0 HG22 THR A 9 -0.600 -2.101 13.062 1.00 0.80 H new ATOM 0 HG23 THR A 9 0.011 -2.545 11.450 1.00 0.80 H new ATOM 161 N GLY A 10 -4.150 0.263 12.004 1.00 0.77 N ATOM 162 CA GLY A 10 -5.154 0.645 12.981 1.00 0.89 C ATOM 163 C GLY A 10 -4.778 1.880 13.782 1.00 0.91 C ATOM 164 O GLY A 10 -5.233 2.054 14.914 1.00 1.31 O ATOM 0 H GLY A 10 -4.162 0.806 11.141 1.00 0.77 H new ATOM 0 HA2 GLY A 10 -6.098 0.827 12.468 1.00 0.89 H new ATOM 0 HA3 GLY A 10 -5.319 -0.187 13.666 1.00 0.89 H new ATOM 168 N LYS A 11 -3.962 2.744 13.198 1.00 0.91 N ATOM 169 CA LYS A 11 -3.535 3.969 13.867 1.00 0.92 C ATOM 170 C LYS A 11 -3.919 5.188 13.033 1.00 0.82 C ATOM 171 O LYS A 11 -3.793 5.177 11.806 1.00 0.78 O ATOM 172 CB LYS A 11 -2.017 3.948 14.113 1.00 0.92 C ATOM 173 CG LYS A 11 -1.443 5.278 14.589 1.00 1.03 C ATOM 174 CD LYS A 11 -1.780 5.551 16.048 1.00 1.32 C ATOM 175 CE LYS A 11 -0.803 4.863 16.990 1.00 1.41 C ATOM 176 NZ LYS A 11 0.367 5.725 17.299 1.00 1.51 N ATOM 0 H LYS A 11 -3.580 2.621 12.260 1.00 0.91 H new ATOM 0 HA LYS A 11 -4.040 4.031 14.831 1.00 0.92 H new ATOM 0 HB2 LYS A 11 -1.791 3.181 14.854 1.00 0.92 H new ATOM 0 HB3 LYS A 11 -1.515 3.658 13.190 1.00 0.92 H new ATOM 0 HG2 LYS A 11 -0.361 5.273 14.461 1.00 1.03 H new ATOM 0 HG3 LYS A 11 -1.834 6.085 13.969 1.00 1.03 H new ATOM 0 HD2 LYS A 11 -1.765 6.626 16.230 1.00 1.32 H new ATOM 0 HD3 LYS A 11 -2.792 5.206 16.258 1.00 1.32 H new ATOM 0 HE2 LYS A 11 -1.315 4.600 17.916 1.00 1.41 H new ATOM 0 HE3 LYS A 11 -0.459 3.932 16.540 1.00 1.41 H new ATOM 0 HZ1 LYS A 11 1.120 5.148 17.725 1.00 1.51 H new ATOM 0 HZ2 LYS A 11 0.718 6.161 16.423 1.00 1.51 H new ATOM 0 HZ3 LYS A 11 0.083 6.470 17.967 1.00 1.51 H new ATOM 190 N THR A 12 -4.402 6.223 13.700 1.00 0.80 N ATOM 191 CA THR A 12 -4.791 7.449 13.029 1.00 0.74 C ATOM 192 C THR A 12 -3.692 8.495 13.178 1.00 0.75 C ATOM 193 O THR A 12 -3.181 8.720 14.277 1.00 0.79 O ATOM 194 CB THR A 12 -6.110 8.000 13.601 1.00 0.70 C ATOM 195 OG1 THR A 12 -7.068 6.939 13.714 1.00 0.74 O ATOM 196 CG2 THR A 12 -6.673 9.107 12.717 1.00 0.70 C ATOM 0 H THR A 12 -4.534 6.237 14.711 1.00 0.80 H new ATOM 0 HA THR A 12 -4.941 7.224 11.973 1.00 0.74 H new ATOM 0 HB THR A 12 -5.906 8.420 14.586 1.00 0.70 H new ATOM 0 HG1 THR A 12 -7.906 7.292 14.080 1.00 0.74 H new ATOM 0 HG21 THR A 12 -7.604 9.477 13.146 1.00 0.70 H new ATOM 0 HG22 THR A 12 -5.953 9.923 12.654 1.00 0.70 H new ATOM 0 HG23 THR A 12 -6.864 8.714 11.719 1.00 0.70 H new ATOM 204 N ILE A 13 -3.318 9.116 12.076 1.00 0.77 N ATOM 205 CA ILE A 13 -2.280 10.129 12.096 1.00 0.85 C ATOM 206 C ILE A 13 -2.881 11.506 11.859 1.00 0.75 C ATOM 207 O ILE A 13 -3.567 11.728 10.860 1.00 0.68 O ATOM 208 CB ILE A 13 -1.190 9.844 11.041 1.00 1.03 C ATOM 209 CG1 ILE A 13 -0.546 8.481 11.306 1.00 1.10 C ATOM 210 CG2 ILE A 13 -0.135 10.944 11.043 1.00 1.31 C ATOM 211 CD1 ILE A 13 0.339 8.003 10.179 1.00 1.24 C ATOM 0 H ILE A 13 -3.718 8.937 11.155 1.00 0.77 H new ATOM 0 HA ILE A 13 -1.813 10.103 13.081 1.00 0.85 H new ATOM 0 HB ILE A 13 -1.657 9.826 10.056 1.00 1.03 H new ATOM 0 HG12 ILE A 13 0.044 8.538 12.221 1.00 1.10 H new ATOM 0 HG13 ILE A 13 -1.331 7.745 11.478 1.00 1.10 H new ATOM 0 HG21 ILE A 13 0.623 10.722 10.292 1.00 1.31 H new ATOM 0 HG22 ILE A 13 -0.606 11.900 10.813 1.00 1.31 H new ATOM 0 HG23 ILE A 13 0.333 10.998 12.026 1.00 1.31 H new ATOM 0 HD11 ILE A 13 0.762 7.032 10.435 1.00 1.24 H new ATOM 0 HD12 ILE A 13 -0.250 7.913 9.267 1.00 1.24 H new ATOM 0 HD13 ILE A 13 1.145 8.719 10.021 1.00 1.24 H new ATOM 223 N THR A 14 -2.624 12.416 12.784 1.00 0.80 N ATOM 224 CA THR A 14 -3.131 13.772 12.693 1.00 0.79 C ATOM 225 C THR A 14 -1.977 14.764 12.629 1.00 0.78 C ATOM 226 O THR A 14 -1.196 14.881 13.576 1.00 0.84 O ATOM 227 CB THR A 14 -4.027 14.111 13.897 1.00 0.91 C ATOM 228 OG1 THR A 14 -3.670 13.293 15.023 1.00 1.31 O ATOM 229 CG2 THR A 14 -5.492 13.899 13.554 1.00 1.07 C ATOM 0 H THR A 14 -2.061 12.235 13.615 1.00 0.80 H new ATOM 0 HA THR A 14 -3.726 13.844 11.782 1.00 0.79 H new ATOM 0 HB THR A 14 -3.876 15.160 14.151 1.00 0.91 H new ATOM 0 HG1 THR A 14 -4.244 13.517 15.785 1.00 1.31 H new ATOM 0 HG21 THR A 14 -6.108 14.145 14.419 1.00 1.07 H new ATOM 0 HG22 THR A 14 -5.767 14.543 12.719 1.00 1.07 H new ATOM 0 HG23 THR A 14 -5.654 12.857 13.278 1.00 1.07 H new ATOM 237 N LEU A 15 -1.850 15.449 11.503 1.00 0.73 N ATOM 238 CA LEU A 15 -0.784 16.422 11.323 1.00 0.75 C ATOM 239 C LEU A 15 -1.336 17.763 10.865 1.00 0.77 C ATOM 240 O LEU A 15 -2.474 17.855 10.401 1.00 0.77 O ATOM 241 CB LEU A 15 0.230 15.915 10.293 1.00 0.73 C ATOM 242 CG LEU A 15 1.000 14.655 10.687 1.00 0.73 C ATOM 243 CD1 LEU A 15 1.792 14.140 9.499 1.00 0.78 C ATOM 244 CD2 LEU A 15 1.924 14.933 11.865 1.00 0.91 C ATOM 0 H LEU A 15 -2.472 15.349 10.701 1.00 0.73 H new ATOM 0 HA LEU A 15 -0.292 16.556 12.286 1.00 0.75 H new ATOM 0 HB2 LEU A 15 -0.296 15.720 9.358 1.00 0.73 H new ATOM 0 HB3 LEU A 15 0.948 16.711 10.095 1.00 0.73 H new ATOM 0 HG LEU A 15 0.285 13.891 10.992 1.00 0.73 H new ATOM 0 HD11 LEU A 15 2.338 13.242 9.788 1.00 0.78 H new ATOM 0 HD12 LEU A 15 1.110 13.903 8.682 1.00 0.78 H new ATOM 0 HD13 LEU A 15 2.497 14.904 9.173 1.00 0.78 H new ATOM 0 HD21 LEU A 15 2.462 14.022 12.128 1.00 0.91 H new ATOM 0 HD22 LEU A 15 2.638 15.710 11.592 1.00 0.91 H new ATOM 0 HD23 LEU A 15 1.334 15.266 12.719 1.00 0.91 H new ATOM 256 N GLU A 16 -0.520 18.792 11.016 1.00 0.80 N ATOM 257 CA GLU A 16 -0.874 20.138 10.604 1.00 0.83 C ATOM 258 C GLU A 16 0.014 20.531 9.435 1.00 0.78 C ATOM 259 O GLU A 16 0.984 21.272 9.589 1.00 0.84 O ATOM 260 CB GLU A 16 -0.703 21.120 11.763 1.00 0.95 C ATOM 261 CG GLU A 16 -2.015 21.529 12.410 1.00 1.01 C ATOM 262 CD GLU A 16 -2.635 22.749 11.757 1.00 1.06 C ATOM 263 OE1 GLU A 16 -2.390 22.985 10.556 1.00 1.08 O ATOM 264 OE2 GLU A 16 -3.371 23.486 12.446 1.00 1.17 O ATOM 0 H GLU A 16 0.410 18.716 11.429 1.00 0.80 H new ATOM 0 HA GLU A 16 -1.920 20.167 10.300 1.00 0.83 H new ATOM 0 HB2 GLU A 16 -0.060 20.669 12.519 1.00 0.95 H new ATOM 0 HB3 GLU A 16 -0.192 22.012 11.400 1.00 0.95 H new ATOM 0 HG2 GLU A 16 -2.717 20.697 12.356 1.00 1.01 H new ATOM 0 HG3 GLU A 16 -1.845 21.735 13.467 1.00 1.01 H new ATOM 271 N VAL A 17 -0.317 20.006 8.270 1.00 0.70 N ATOM 272 CA VAL A 17 0.458 20.256 7.067 1.00 0.68 C ATOM 273 C VAL A 17 0.013 21.529 6.361 1.00 0.72 C ATOM 274 O VAL A 17 -0.949 22.183 6.767 1.00 0.76 O ATOM 275 CB VAL A 17 0.349 19.079 6.081 1.00 0.60 C ATOM 276 CG1 VAL A 17 0.983 17.826 6.666 1.00 0.57 C ATOM 277 CG2 VAL A 17 -1.105 18.823 5.719 1.00 0.58 C ATOM 0 H VAL A 17 -1.124 19.399 8.130 1.00 0.70 H new ATOM 0 HA VAL A 17 1.494 20.372 7.386 1.00 0.68 H new ATOM 0 HB VAL A 17 0.891 19.342 5.172 1.00 0.60 H new ATOM 0 HG11 VAL A 17 0.895 17.007 5.953 1.00 0.57 H new ATOM 0 HG12 VAL A 17 2.036 18.014 6.874 1.00 0.57 H new ATOM 0 HG13 VAL A 17 0.473 17.558 7.591 1.00 0.57 H new ATOM 0 HG21 VAL A 17 -1.165 17.988 5.021 1.00 0.58 H new ATOM 0 HG22 VAL A 17 -1.668 18.583 6.621 1.00 0.58 H new ATOM 0 HG23 VAL A 17 -1.527 19.714 5.255 1.00 0.58 H new ATOM 287 N GLU A 18 0.725 21.865 5.300 1.00 0.73 N ATOM 288 CA GLU A 18 0.427 23.044 4.510 1.00 0.78 C ATOM 289 C GLU A 18 -0.203 22.615 3.191 1.00 0.76 C ATOM 290 O GLU A 18 0.056 21.511 2.715 1.00 0.72 O ATOM 291 CB GLU A 18 1.705 23.844 4.254 1.00 0.86 C ATOM 292 CG GLU A 18 2.397 24.315 5.522 1.00 0.94 C ATOM 293 CD GLU A 18 3.798 24.820 5.256 1.00 1.06 C ATOM 294 OE1 GLU A 18 3.943 25.824 4.533 1.00 1.18 O ATOM 295 OE2 GLU A 18 4.762 24.215 5.771 1.00 1.25 O ATOM 0 H GLU A 18 1.524 21.329 4.963 1.00 0.73 H new ATOM 0 HA GLU A 18 -0.272 23.680 5.054 1.00 0.78 H new ATOM 0 HB2 GLU A 18 2.398 23.230 3.679 1.00 0.86 H new ATOM 0 HB3 GLU A 18 1.463 24.711 3.640 1.00 0.86 H new ATOM 0 HG2 GLU A 18 1.808 25.109 5.982 1.00 0.94 H new ATOM 0 HG3 GLU A 18 2.439 23.494 6.237 1.00 0.94 H new ATOM 302 N PRO A 19 -1.056 23.462 2.594 1.00 0.80 N ATOM 303 CA PRO A 19 -1.719 23.148 1.321 1.00 0.82 C ATOM 304 C PRO A 19 -0.738 22.769 0.213 1.00 0.86 C ATOM 305 O PRO A 19 -1.029 21.914 -0.620 1.00 0.87 O ATOM 306 CB PRO A 19 -2.444 24.448 0.964 1.00 0.87 C ATOM 307 CG PRO A 19 -2.653 25.137 2.267 1.00 0.91 C ATOM 308 CD PRO A 19 -1.466 24.778 3.120 1.00 0.88 C ATOM 0 HA PRO A 19 -2.376 22.284 1.419 1.00 0.82 H new ATOM 0 HB2 PRO A 19 -1.850 25.059 0.284 1.00 0.87 H new ATOM 0 HB3 PRO A 19 -3.393 24.248 0.466 1.00 0.87 H new ATOM 0 HG2 PRO A 19 -2.724 26.216 2.131 1.00 0.91 H new ATOM 0 HG3 PRO A 19 -3.582 24.813 2.735 1.00 0.91 H new ATOM 0 HD2 PRO A 19 -0.668 25.514 3.029 1.00 0.88 H new ATOM 0 HD3 PRO A 19 -1.731 24.724 4.176 1.00 0.88 H new ATOM 316 N SER A 20 0.430 23.399 0.215 1.00 0.92 N ATOM 317 CA SER A 20 1.438 23.137 -0.801 1.00 1.00 C ATOM 318 C SER A 20 2.588 22.277 -0.277 1.00 0.92 C ATOM 319 O SER A 20 3.651 22.219 -0.896 1.00 0.94 O ATOM 320 CB SER A 20 1.987 24.460 -1.324 1.00 1.18 C ATOM 321 OG SER A 20 0.954 25.429 -1.435 1.00 1.24 O ATOM 0 H SER A 20 0.701 24.095 0.910 1.00 0.92 H new ATOM 0 HA SER A 20 0.956 22.579 -1.604 1.00 1.00 H new ATOM 0 HB2 SER A 20 2.764 24.826 -0.653 1.00 1.18 H new ATOM 0 HB3 SER A 20 2.453 24.306 -2.297 1.00 1.18 H new ATOM 0 HG SER A 20 1.329 26.270 -1.771 1.00 1.24 H new ATOM 327 N ASP A 21 2.379 21.609 0.852 1.00 0.85 N ATOM 328 CA ASP A 21 3.422 20.760 1.425 1.00 0.80 C ATOM 329 C ASP A 21 3.645 19.541 0.540 1.00 0.75 C ATOM 330 O ASP A 21 2.687 18.951 0.033 1.00 0.73 O ATOM 331 CB ASP A 21 3.049 20.322 2.846 1.00 0.75 C ATOM 332 CG ASP A 21 4.252 19.883 3.660 1.00 0.65 C ATOM 333 OD1 ASP A 21 5.302 20.560 3.599 1.00 0.82 O ATOM 334 OD2 ASP A 21 4.147 18.876 4.390 1.00 0.69 O ATOM 0 H ASP A 21 1.509 21.636 1.384 1.00 0.85 H new ATOM 0 HA ASP A 21 4.346 21.336 1.478 1.00 0.80 H new ATOM 0 HB2 ASP A 21 2.552 21.146 3.357 1.00 0.75 H new ATOM 0 HB3 ASP A 21 2.333 19.502 2.793 1.00 0.75 H new ATOM 339 N THR A 22 4.907 19.194 0.321 1.00 0.76 N ATOM 340 CA THR A 22 5.244 18.049 -0.509 1.00 0.74 C ATOM 341 C THR A 22 4.932 16.740 0.208 1.00 0.67 C ATOM 342 O THR A 22 4.968 16.670 1.437 1.00 0.65 O ATOM 343 CB THR A 22 6.726 18.074 -0.927 1.00 0.80 C ATOM 344 OG1 THR A 22 7.511 18.718 0.085 1.00 0.85 O ATOM 345 CG2 THR A 22 6.897 18.802 -2.250 1.00 1.02 C ATOM 0 H THR A 22 5.711 19.689 0.707 1.00 0.76 H new ATOM 0 HA THR A 22 4.630 18.113 -1.407 1.00 0.74 H new ATOM 0 HB THR A 22 7.067 17.046 -1.047 1.00 0.80 H new ATOM 0 HG1 THR A 22 8.385 18.280 0.149 1.00 0.85 H new ATOM 0 HG21 THR A 22 7.951 18.809 -2.528 1.00 1.02 H new ATOM 0 HG22 THR A 22 6.321 18.293 -3.023 1.00 1.02 H new ATOM 0 HG23 THR A 22 6.542 19.828 -2.150 1.00 1.02 H new ATOM 353 N ILE A 23 4.630 15.711 -0.570 1.00 0.65 N ATOM 354 CA ILE A 23 4.302 14.401 -0.026 1.00 0.59 C ATOM 355 C ILE A 23 5.436 13.867 0.847 1.00 0.58 C ATOM 356 O ILE A 23 5.196 13.350 1.939 1.00 0.54 O ATOM 357 CB ILE A 23 3.993 13.392 -1.154 1.00 0.62 C ATOM 358 CG1 ILE A 23 2.794 13.869 -1.983 1.00 0.67 C ATOM 359 CG2 ILE A 23 3.736 12.001 -0.587 1.00 0.55 C ATOM 360 CD1 ILE A 23 1.506 13.984 -1.195 1.00 0.63 C ATOM 0 H ILE A 23 4.605 15.759 -1.589 1.00 0.65 H new ATOM 0 HA ILE A 23 3.412 14.520 0.591 1.00 0.59 H new ATOM 0 HB ILE A 23 4.864 13.332 -1.806 1.00 0.62 H new ATOM 0 HG12 ILE A 23 3.030 14.840 -2.418 1.00 0.67 H new ATOM 0 HG13 ILE A 23 2.640 13.178 -2.812 1.00 0.67 H new ATOM 0 HG21 ILE A 23 3.521 11.310 -1.402 1.00 0.55 H new ATOM 0 HG22 ILE A 23 4.618 11.660 -0.045 1.00 0.55 H new ATOM 0 HG23 ILE A 23 2.885 12.037 0.093 1.00 0.55 H new ATOM 0 HD11 ILE A 23 0.707 14.327 -1.852 1.00 0.63 H new ATOM 0 HD12 ILE A 23 1.244 13.010 -0.782 1.00 0.63 H new ATOM 0 HD13 ILE A 23 1.639 14.698 -0.383 1.00 0.63 H new ATOM 372 N GLU A 24 6.670 14.014 0.374 1.00 0.64 N ATOM 373 CA GLU A 24 7.830 13.546 1.122 1.00 0.67 C ATOM 374 C GLU A 24 7.973 14.320 2.436 1.00 0.65 C ATOM 375 O GLU A 24 8.468 13.789 3.434 1.00 0.65 O ATOM 376 CB GLU A 24 9.103 13.646 0.259 1.00 0.78 C ATOM 377 CG GLU A 24 10.101 14.713 0.692 1.00 0.94 C ATOM 378 CD GLU A 24 9.900 16.034 -0.019 1.00 1.68 C ATOM 379 OE1 GLU A 24 10.295 16.147 -1.198 1.00 2.16 O ATOM 380 OE2 GLU A 24 9.362 16.971 0.599 1.00 2.11 O ATOM 0 H GLU A 24 6.891 14.452 -0.520 1.00 0.64 H new ATOM 0 HA GLU A 24 7.685 12.496 1.376 1.00 0.67 H new ATOM 0 HB2 GLU A 24 9.604 12.678 0.267 1.00 0.78 H new ATOM 0 HB3 GLU A 24 8.809 13.844 -0.772 1.00 0.78 H new ATOM 0 HG2 GLU A 24 10.014 14.869 1.767 1.00 0.94 H new ATOM 0 HG3 GLU A 24 11.113 14.355 0.502 1.00 0.94 H new ATOM 387 N ASN A 25 7.497 15.561 2.437 1.00 0.66 N ATOM 388 CA ASN A 25 7.569 16.411 3.619 1.00 0.68 C ATOM 389 C ASN A 25 6.529 15.983 4.646 1.00 0.62 C ATOM 390 O ASN A 25 6.746 16.105 5.852 1.00 0.65 O ATOM 391 CB ASN A 25 7.361 17.875 3.241 1.00 0.72 C ATOM 392 CG ASN A 25 8.334 18.799 3.950 1.00 0.79 C ATOM 393 OD1 ASN A 25 9.463 18.413 4.260 1.00 0.86 O ATOM 394 ND2 ASN A 25 7.909 20.026 4.204 1.00 0.83 N ATOM 0 H ASN A 25 7.056 16.001 1.629 1.00 0.66 H new ATOM 0 HA ASN A 25 8.561 16.302 4.058 1.00 0.68 H new ATOM 0 HB2 ASN A 25 7.476 17.989 2.163 1.00 0.72 H new ATOM 0 HB3 ASN A 25 6.340 18.169 3.486 1.00 0.72 H new ATOM 0 HD21 ASN A 25 8.523 20.692 4.673 1.00 0.83 H new ATOM 0 HD22 ASN A 25 6.967 20.306 3.931 1.00 0.83 H new ATOM 401 N VAL A 26 5.393 15.490 4.165 1.00 0.55 N ATOM 402 CA VAL A 26 4.339 15.014 5.052 1.00 0.51 C ATOM 403 C VAL A 26 4.824 13.765 5.778 1.00 0.50 C ATOM 404 O VAL A 26 4.584 13.583 6.975 1.00 0.51 O ATOM 405 CB VAL A 26 3.040 14.695 4.280 1.00 0.49 C ATOM 406 CG1 VAL A 26 1.943 14.236 5.229 1.00 0.48 C ATOM 407 CG2 VAL A 26 2.585 15.906 3.484 1.00 0.50 C ATOM 0 H VAL A 26 5.179 15.410 3.171 1.00 0.55 H new ATOM 0 HA VAL A 26 4.112 15.805 5.767 1.00 0.51 H new ATOM 0 HB VAL A 26 3.248 13.881 3.585 1.00 0.49 H new ATOM 0 HG11 VAL A 26 1.039 14.018 4.661 1.00 0.48 H new ATOM 0 HG12 VAL A 26 2.268 13.338 5.754 1.00 0.48 H new ATOM 0 HG13 VAL A 26 1.735 15.024 5.953 1.00 0.48 H new ATOM 0 HG21 VAL A 26 1.668 15.664 2.946 1.00 0.50 H new ATOM 0 HG22 VAL A 26 2.399 16.738 4.163 1.00 0.50 H new ATOM 0 HG23 VAL A 26 3.361 16.186 2.771 1.00 0.50 H new ATOM 417 N LYS A 27 5.535 12.921 5.039 1.00 0.50 N ATOM 418 CA LYS A 27 6.093 11.695 5.591 1.00 0.50 C ATOM 419 C LYS A 27 7.124 12.037 6.659 1.00 0.55 C ATOM 420 O LYS A 27 7.240 11.352 7.679 1.00 0.55 O ATOM 421 CB LYS A 27 6.740 10.861 4.480 1.00 0.52 C ATOM 422 CG LYS A 27 5.801 10.560 3.321 1.00 0.52 C ATOM 423 CD LYS A 27 6.550 9.989 2.124 1.00 0.69 C ATOM 424 CE LYS A 27 6.651 8.474 2.189 1.00 1.00 C ATOM 425 NZ LYS A 27 7.517 7.924 1.113 1.00 1.16 N ATOM 0 H LYS A 27 5.739 13.066 4.050 1.00 0.50 H new ATOM 0 HA LYS A 27 5.292 11.110 6.042 1.00 0.50 H new ATOM 0 HB2 LYS A 27 7.614 11.391 4.101 1.00 0.52 H new ATOM 0 HB3 LYS A 27 7.096 9.921 4.902 1.00 0.52 H new ATOM 0 HG2 LYS A 27 5.038 9.852 3.645 1.00 0.52 H new ATOM 0 HG3 LYS A 27 5.284 11.473 3.025 1.00 0.52 H new ATOM 0 HD2 LYS A 27 6.041 10.280 1.205 1.00 0.69 H new ATOM 0 HD3 LYS A 27 7.551 10.418 2.084 1.00 0.69 H new ATOM 0 HE2 LYS A 27 7.049 8.179 3.160 1.00 1.00 H new ATOM 0 HE3 LYS A 27 5.654 8.041 2.108 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 8.021 7.086 1.467 1.00 1.16 H new ATOM 0 HZ2 LYS A 27 6.930 7.655 0.298 1.00 1.16 H new ATOM 0 HZ3 LYS A 27 8.207 8.645 0.820 1.00 1.16 H new ATOM 439 N ALA A 28 7.868 13.111 6.404 1.00 0.62 N ATOM 440 CA ALA A 28 8.882 13.592 7.332 1.00 0.69 C ATOM 441 C ALA A 28 8.239 14.012 8.648 1.00 0.71 C ATOM 442 O ALA A 28 8.804 13.800 9.723 1.00 0.76 O ATOM 443 CB ALA A 28 9.652 14.752 6.721 1.00 0.76 C ATOM 0 H ALA A 28 7.784 13.667 5.553 1.00 0.62 H new ATOM 0 HA ALA A 28 9.582 12.781 7.533 1.00 0.69 H new ATOM 0 HB1 ALA A 28 10.406 15.100 7.427 1.00 0.76 H new ATOM 0 HB2 ALA A 28 10.139 14.422 5.803 1.00 0.76 H new ATOM 0 HB3 ALA A 28 8.964 15.566 6.494 1.00 0.76 H new ATOM 449 N LYS A 29 7.046 14.595 8.556 1.00 0.69 N ATOM 450 CA LYS A 29 6.313 15.028 9.735 1.00 0.73 C ATOM 451 C LYS A 29 5.902 13.817 10.558 1.00 0.72 C ATOM 452 O LYS A 29 6.042 13.812 11.778 1.00 0.81 O ATOM 453 CB LYS A 29 5.094 15.853 9.333 1.00 0.71 C ATOM 454 CG LYS A 29 5.459 17.224 8.801 1.00 0.75 C ATOM 455 CD LYS A 29 4.263 17.931 8.192 1.00 0.69 C ATOM 456 CE LYS A 29 4.654 19.291 7.640 1.00 0.68 C ATOM 457 NZ LYS A 29 5.630 19.184 6.523 1.00 0.89 N ATOM 0 H LYS A 29 6.568 14.777 7.673 1.00 0.69 H new ATOM 0 HA LYS A 29 6.959 15.660 10.344 1.00 0.73 H new ATOM 0 HB2 LYS A 29 4.530 15.312 8.573 1.00 0.71 H new ATOM 0 HB3 LYS A 29 4.438 15.967 10.196 1.00 0.71 H new ATOM 0 HG2 LYS A 29 5.866 17.831 9.610 1.00 0.75 H new ATOM 0 HG3 LYS A 29 6.243 17.125 8.051 1.00 0.75 H new ATOM 0 HD2 LYS A 29 3.842 17.319 7.394 1.00 0.69 H new ATOM 0 HD3 LYS A 29 3.485 18.051 8.946 1.00 0.69 H new ATOM 0 HE2 LYS A 29 3.761 19.810 7.292 1.00 0.68 H new ATOM 0 HE3 LYS A 29 5.083 19.896 8.439 1.00 0.68 H new ATOM 0 HZ1 LYS A 29 5.945 20.135 6.245 1.00 0.89 H new ATOM 0 HZ2 LYS A 29 6.450 18.624 6.831 1.00 0.89 H new ATOM 0 HZ3 LYS A 29 5.178 18.718 5.710 1.00 0.89 H new ATOM 471 N ILE A 30 5.353 12.802 9.889 1.00 0.64 N ATOM 472 CA ILE A 30 4.979 11.562 10.564 1.00 0.64 C ATOM 473 C ILE A 30 6.183 11.007 11.324 1.00 0.72 C ATOM 474 O ILE A 30 6.059 10.571 12.466 1.00 0.80 O ATOM 475 CB ILE A 30 4.456 10.503 9.566 1.00 0.54 C ATOM 476 CG1 ILE A 30 3.273 11.064 8.771 1.00 0.52 C ATOM 477 CG2 ILE A 30 4.050 9.230 10.296 1.00 0.58 C ATOM 478 CD1 ILE A 30 2.751 10.129 7.701 1.00 0.46 C ATOM 0 H ILE A 30 5.159 12.815 8.888 1.00 0.64 H new ATOM 0 HA ILE A 30 4.173 11.789 11.261 1.00 0.64 H new ATOM 0 HB ILE A 30 5.259 10.257 8.872 1.00 0.54 H new ATOM 0 HG12 ILE A 30 2.463 11.298 9.462 1.00 0.52 H new ATOM 0 HG13 ILE A 30 3.574 12.002 8.304 1.00 0.52 H new ATOM 0 HG21 ILE A 30 3.685 8.498 9.575 1.00 0.58 H new ATOM 0 HG22 ILE A 30 4.913 8.822 10.823 1.00 0.58 H new ATOM 0 HG23 ILE A 30 3.261 9.458 11.013 1.00 0.58 H new ATOM 0 HD11 ILE A 30 1.915 10.599 7.184 1.00 0.46 H new ATOM 0 HD12 ILE A 30 3.545 9.914 6.986 1.00 0.46 H new ATOM 0 HD13 ILE A 30 2.417 9.199 8.162 1.00 0.46 H new ATOM 490 N GLN A 31 7.343 11.020 10.674 1.00 0.71 N ATOM 491 CA GLN A 31 8.575 10.559 11.305 1.00 0.82 C ATOM 492 C GLN A 31 8.890 11.409 12.532 1.00 0.93 C ATOM 493 O GLN A 31 9.420 10.911 13.523 1.00 1.01 O ATOM 494 CB GLN A 31 9.747 10.606 10.325 1.00 0.84 C ATOM 495 CG GLN A 31 11.007 9.945 10.866 1.00 0.97 C ATOM 496 CD GLN A 31 12.164 9.998 9.892 1.00 1.04 C ATOM 497 OE1 GLN A 31 12.267 10.920 9.085 1.00 1.01 O ATOM 498 NE2 GLN A 31 13.045 9.011 9.958 1.00 1.18 N ATOM 0 H GLN A 31 7.455 11.344 9.713 1.00 0.71 H new ATOM 0 HA GLN A 31 8.427 9.524 11.613 1.00 0.82 H new ATOM 0 HB2 GLN A 31 9.456 10.114 9.397 1.00 0.84 H new ATOM 0 HB3 GLN A 31 9.966 11.645 10.080 1.00 0.84 H new ATOM 0 HG2 GLN A 31 11.298 10.435 11.795 1.00 0.97 H new ATOM 0 HG3 GLN A 31 10.790 8.905 11.109 1.00 0.97 H new ATOM 0 HE21 GLN A 31 12.924 8.264 10.642 1.00 1.18 H new ATOM 0 HE22 GLN A 31 13.845 8.998 9.325 1.00 1.18 H new ATOM 507 N ASP A 32 8.577 12.694 12.458 1.00 0.95 N ATOM 508 CA ASP A 32 8.803 13.596 13.579 1.00 1.08 C ATOM 509 C ASP A 32 7.876 13.244 14.740 1.00 1.10 C ATOM 510 O ASP A 32 8.293 13.232 15.896 1.00 1.19 O ATOM 511 CB ASP A 32 8.580 15.056 13.166 1.00 1.15 C ATOM 512 CG ASP A 32 9.863 15.764 12.775 1.00 1.10 C ATOM 513 OD1 ASP A 32 10.843 15.706 13.549 1.00 1.24 O ATOM 514 OD2 ASP A 32 9.898 16.400 11.701 1.00 1.51 O ATOM 0 H ASP A 32 8.166 13.136 11.635 1.00 0.95 H new ATOM 0 HA ASP A 32 9.839 13.479 13.897 1.00 1.08 H new ATOM 0 HB2 ASP A 32 7.884 15.088 12.328 1.00 1.15 H new ATOM 0 HB3 ASP A 32 8.112 15.594 13.990 1.00 1.15 H new ATOM 519 N LYS A 33 6.616 12.952 14.425 1.00 1.04 N ATOM 520 CA LYS A 33 5.633 12.600 15.446 1.00 1.08 C ATOM 521 C LYS A 33 5.691 11.110 15.801 1.00 1.05 C ATOM 522 O LYS A 33 6.334 10.727 16.778 1.00 1.11 O ATOM 523 CB LYS A 33 4.223 12.976 14.972 1.00 1.05 C ATOM 524 CG LYS A 33 3.159 12.874 16.056 1.00 1.11 C ATOM 525 CD LYS A 33 1.770 13.145 15.500 1.00 1.21 C ATOM 526 CE LYS A 33 0.735 13.278 16.607 1.00 1.50 C ATOM 527 NZ LYS A 33 -0.622 13.565 16.066 1.00 1.79 N ATOM 0 H LYS A 33 6.252 12.952 13.472 1.00 1.04 H new ATOM 0 HA LYS A 33 5.874 13.164 16.347 1.00 1.08 H new ATOM 0 HB2 LYS A 33 4.240 13.996 14.588 1.00 1.05 H new ATOM 0 HB3 LYS A 33 3.945 12.327 14.141 1.00 1.05 H new ATOM 0 HG2 LYS A 33 3.186 11.880 16.502 1.00 1.11 H new ATOM 0 HG3 LYS A 33 3.379 13.586 16.852 1.00 1.11 H new ATOM 0 HD2 LYS A 33 1.788 14.059 14.907 1.00 1.21 H new ATOM 0 HD3 LYS A 33 1.483 12.336 14.829 1.00 1.21 H new ATOM 0 HE2 LYS A 33 0.706 12.357 17.190 1.00 1.50 H new ATOM 0 HE3 LYS A 33 1.031 14.077 17.287 1.00 1.50 H new ATOM 0 HZ1 LYS A 33 -1.135 14.184 16.726 1.00 1.79 H new ATOM 0 HZ2 LYS A 33 -0.535 14.039 15.144 1.00 1.79 H new ATOM 0 HZ3 LYS A 33 -1.145 12.674 15.949 1.00 1.79 H new ATOM 541 N GLU A 34 5.015 10.279 15.008 1.00 0.98 N ATOM 542 CA GLU A 34 4.961 8.829 15.230 1.00 0.97 C ATOM 543 C GLU A 34 6.332 8.155 15.131 1.00 0.95 C ATOM 544 O GLU A 34 6.497 7.009 15.549 1.00 0.97 O ATOM 545 CB GLU A 34 4.024 8.194 14.202 1.00 0.89 C ATOM 546 CG GLU A 34 2.640 8.822 14.145 1.00 0.94 C ATOM 547 CD GLU A 34 1.728 8.317 15.240 1.00 1.18 C ATOM 548 OE1 GLU A 34 1.619 7.084 15.405 1.00 1.18 O ATOM 549 OE2 GLU A 34 1.118 9.147 15.941 1.00 1.56 O ATOM 0 H GLU A 34 4.488 10.590 14.192 1.00 0.98 H new ATOM 0 HA GLU A 34 4.596 8.678 16.246 1.00 0.97 H new ATOM 0 HB2 GLU A 34 4.483 8.265 13.216 1.00 0.89 H new ATOM 0 HB3 GLU A 34 3.920 7.133 14.429 1.00 0.89 H new ATOM 0 HG2 GLU A 34 2.733 9.905 14.225 1.00 0.94 H new ATOM 0 HG3 GLU A 34 2.189 8.611 13.175 1.00 0.94 H new ATOM 556 N GLY A 35 7.312 8.857 14.583 1.00 0.94 N ATOM 557 CA GLY A 35 8.636 8.284 14.434 1.00 0.94 C ATOM 558 C GLY A 35 8.701 7.233 13.341 1.00 0.88 C ATOM 559 O GLY A 35 9.540 6.335 13.386 1.00 0.92 O ATOM 0 H GLY A 35 7.216 9.812 14.239 1.00 0.94 H new ATOM 0 HA2 GLY A 35 9.348 9.079 14.211 1.00 0.94 H new ATOM 0 HA3 GLY A 35 8.943 7.838 15.380 1.00 0.94 H new ATOM 563 N ILE A 36 7.817 7.340 12.363 1.00 0.79 N ATOM 564 CA ILE A 36 7.787 6.387 11.262 1.00 0.73 C ATOM 565 C ILE A 36 8.594 6.912 10.080 1.00 0.69 C ATOM 566 O ILE A 36 8.245 7.936 9.495 1.00 0.63 O ATOM 567 CB ILE A 36 6.341 6.099 10.800 1.00 0.66 C ATOM 568 CG1 ILE A 36 5.500 5.579 11.969 1.00 0.77 C ATOM 569 CG2 ILE A 36 6.339 5.097 9.652 1.00 0.63 C ATOM 570 CD1 ILE A 36 4.041 5.365 11.621 1.00 0.76 C ATOM 0 H ILE A 36 7.112 8.075 12.307 1.00 0.79 H new ATOM 0 HA ILE A 36 8.228 5.459 11.626 1.00 0.73 H new ATOM 0 HB ILE A 36 5.899 7.030 10.445 1.00 0.66 H new ATOM 0 HG12 ILE A 36 5.923 4.637 12.319 1.00 0.77 H new ATOM 0 HG13 ILE A 36 5.567 6.286 12.796 1.00 0.77 H new ATOM 0 HG21 ILE A 36 5.313 4.905 9.338 1.00 0.63 H new ATOM 0 HG22 ILE A 36 6.905 5.503 8.814 1.00 0.63 H new ATOM 0 HG23 ILE A 36 6.798 4.165 9.982 1.00 0.63 H new ATOM 0 HD11 ILE A 36 3.508 4.996 12.497 1.00 0.76 H new ATOM 0 HD12 ILE A 36 3.601 6.309 11.300 1.00 0.76 H new ATOM 0 HD13 ILE A 36 3.962 4.635 10.815 1.00 0.76 H new ATOM 582 N PRO A 37 9.696 6.231 9.728 1.00 0.76 N ATOM 583 CA PRO A 37 10.552 6.626 8.601 1.00 0.77 C ATOM 584 C PRO A 37 9.771 6.693 7.287 1.00 0.66 C ATOM 585 O PRO A 37 8.958 5.815 7.000 1.00 0.58 O ATOM 586 CB PRO A 37 11.610 5.520 8.550 1.00 0.88 C ATOM 587 CG PRO A 37 11.616 4.935 9.916 1.00 0.97 C ATOM 588 CD PRO A 37 10.201 5.026 10.405 1.00 0.88 C ATOM 0 HA PRO A 37 10.975 7.622 8.733 1.00 0.77 H new ATOM 0 HB2 PRO A 37 11.361 4.769 7.800 1.00 0.88 H new ATOM 0 HB3 PRO A 37 12.589 5.921 8.287 1.00 0.88 H new ATOM 0 HG2 PRO A 37 11.957 3.900 9.897 1.00 0.97 H new ATOM 0 HG3 PRO A 37 12.293 5.482 10.573 1.00 0.97 H new ATOM 0 HD2 PRO A 37 9.624 4.141 10.138 1.00 0.88 H new ATOM 0 HD3 PRO A 37 10.154 5.122 11.490 1.00 0.88 H new ATOM 596 N PRO A 38 10.000 7.740 6.476 1.00 0.70 N ATOM 597 CA PRO A 38 9.299 7.928 5.197 1.00 0.66 C ATOM 598 C PRO A 38 9.462 6.749 4.237 1.00 0.65 C ATOM 599 O PRO A 38 8.545 6.423 3.482 1.00 0.62 O ATOM 600 CB PRO A 38 9.952 9.184 4.610 1.00 0.81 C ATOM 601 CG PRO A 38 10.524 9.902 5.781 1.00 0.91 C ATOM 602 CD PRO A 38 10.953 8.833 6.742 1.00 0.86 C ATOM 0 HA PRO A 38 8.223 8.013 5.347 1.00 0.66 H new ATOM 0 HB2 PRO A 38 10.727 8.926 3.888 1.00 0.81 H new ATOM 0 HB3 PRO A 38 9.222 9.801 4.087 1.00 0.81 H new ATOM 0 HG2 PRO A 38 11.369 10.524 5.485 1.00 0.91 H new ATOM 0 HG3 PRO A 38 9.785 10.563 6.234 1.00 0.91 H new ATOM 0 HD2 PRO A 38 11.983 8.522 6.565 1.00 0.86 H new ATOM 0 HD3 PRO A 38 10.896 9.174 7.776 1.00 0.86 H new ATOM 610 N ASP A 39 10.622 6.104 4.274 1.00 0.73 N ATOM 611 CA ASP A 39 10.903 4.965 3.398 1.00 0.79 C ATOM 612 C ASP A 39 9.992 3.787 3.722 1.00 0.74 C ATOM 613 O ASP A 39 9.666 2.981 2.847 1.00 0.81 O ATOM 614 CB ASP A 39 12.370 4.537 3.519 1.00 0.89 C ATOM 615 CG ASP A 39 12.798 4.315 4.955 1.00 1.84 C ATOM 616 OD1 ASP A 39 12.836 5.300 5.720 1.00 2.66 O ATOM 617 OD2 ASP A 39 13.109 3.161 5.322 1.00 2.29 O ATOM 0 H ASP A 39 11.388 6.349 4.902 1.00 0.73 H new ATOM 0 HA ASP A 39 10.710 5.281 2.373 1.00 0.79 H new ATOM 0 HB2 ASP A 39 12.524 3.619 2.952 1.00 0.89 H new ATOM 0 HB3 ASP A 39 13.005 5.300 3.069 1.00 0.89 H new ATOM 622 N GLN A 40 9.579 3.699 4.979 1.00 0.67 N ATOM 623 CA GLN A 40 8.701 2.628 5.430 1.00 0.70 C ATOM 624 C GLN A 40 7.237 2.978 5.187 1.00 0.60 C ATOM 625 O GLN A 40 6.348 2.175 5.462 1.00 0.67 O ATOM 626 CB GLN A 40 8.909 2.365 6.924 1.00 0.79 C ATOM 627 CG GLN A 40 10.285 1.824 7.274 1.00 0.95 C ATOM 628 CD GLN A 40 10.463 1.631 8.768 1.00 1.48 C ATOM 629 OE1 GLN A 40 9.498 1.396 9.499 1.00 2.10 O ATOM 630 NE2 GLN A 40 11.697 1.723 9.233 1.00 2.01 N ATOM 0 H GLN A 40 9.840 4.362 5.709 1.00 0.67 H new ATOM 0 HA GLN A 40 8.951 1.734 4.859 1.00 0.70 H new ATOM 0 HB2 GLN A 40 8.746 3.293 7.471 1.00 0.79 H new ATOM 0 HB3 GLN A 40 8.154 1.657 7.266 1.00 0.79 H new ATOM 0 HG2 GLN A 40 10.439 0.872 6.766 1.00 0.95 H new ATOM 0 HG3 GLN A 40 11.048 2.510 6.905 1.00 0.95 H new ATOM 0 HE21 GLN A 40 12.469 1.919 8.596 1.00 2.01 H new ATOM 0 HE22 GLN A 40 11.877 1.598 10.229 1.00 2.01 H new ATOM 639 N GLN A 41 6.988 4.173 4.667 1.00 0.51 N ATOM 640 CA GLN A 41 5.626 4.623 4.421 1.00 0.44 C ATOM 641 C GLN A 41 5.213 4.458 2.963 1.00 0.45 C ATOM 642 O GLN A 41 6.031 4.572 2.049 1.00 0.51 O ATOM 643 CB GLN A 41 5.481 6.095 4.795 1.00 0.40 C ATOM 644 CG GLN A 41 5.770 6.410 6.251 1.00 0.41 C ATOM 645 CD GLN A 41 5.664 7.893 6.530 1.00 0.40 C ATOM 646 OE1 GLN A 41 4.885 8.597 5.894 1.00 0.37 O ATOM 647 NE2 GLN A 41 6.451 8.385 7.472 1.00 0.46 N ATOM 0 H GLN A 41 7.710 4.846 4.408 1.00 0.51 H new ATOM 0 HA GLN A 41 4.978 4.000 5.038 1.00 0.44 H new ATOM 0 HB2 GLN A 41 6.153 6.683 4.170 1.00 0.40 H new ATOM 0 HB3 GLN A 41 4.466 6.417 4.562 1.00 0.40 H new ATOM 0 HG2 GLN A 41 5.070 5.868 6.887 1.00 0.41 H new ATOM 0 HG3 GLN A 41 6.770 6.061 6.508 1.00 0.41 H new ATOM 0 HE21 GLN A 41 7.086 7.769 7.980 1.00 0.46 H new ATOM 0 HE22 GLN A 41 6.423 9.381 7.691 1.00 0.46 H new ATOM 656 N ARG A 42 3.934 4.183 2.772 1.00 0.46 N ATOM 657 CA ARG A 42 3.340 4.044 1.449 1.00 0.52 C ATOM 658 C ARG A 42 1.957 4.678 1.482 1.00 0.50 C ATOM 659 O ARG A 42 0.997 4.068 1.954 1.00 0.53 O ATOM 660 CB ARG A 42 3.233 2.573 1.027 1.00 0.63 C ATOM 661 CG ARG A 42 4.566 1.910 0.716 1.00 0.69 C ATOM 662 CD ARG A 42 5.284 2.587 -0.443 1.00 0.75 C ATOM 663 NE ARG A 42 6.481 1.848 -0.847 1.00 0.87 N ATOM 664 CZ ARG A 42 7.658 1.933 -0.225 1.00 0.92 C ATOM 665 NH1 ARG A 42 7.815 2.768 0.798 1.00 0.94 N ATOM 666 NH2 ARG A 42 8.681 1.192 -0.639 1.00 1.11 N ATOM 0 H ARG A 42 3.271 4.048 3.536 1.00 0.46 H new ATOM 0 HA ARG A 42 3.977 4.543 0.718 1.00 0.52 H new ATOM 0 HB2 ARG A 42 2.740 2.014 1.823 1.00 0.63 H new ATOM 0 HB3 ARG A 42 2.593 2.506 0.147 1.00 0.63 H new ATOM 0 HG2 ARG A 42 5.200 1.939 1.602 1.00 0.69 H new ATOM 0 HG3 ARG A 42 4.401 0.860 0.476 1.00 0.69 H new ATOM 0 HD2 ARG A 42 4.605 2.671 -1.292 1.00 0.75 H new ATOM 0 HD3 ARG A 42 5.562 3.601 -0.156 1.00 0.75 H new ATOM 0 HE ARG A 42 6.411 1.229 -1.655 1.00 0.87 H new ATOM 0 HH11 ARG A 42 7.034 3.346 1.109 1.00 0.94 H new ATOM 0 HH12 ARG A 42 8.716 2.831 1.272 1.00 0.94 H new ATOM 0 HH21 ARG A 42 8.565 0.560 -1.431 1.00 1.11 H new ATOM 0 HH22 ARG A 42 9.582 1.256 -0.165 1.00 1.11 H new ATOM 680 N LEU A 43 1.868 5.917 1.024 1.00 0.47 N ATOM 681 CA LEU A 43 0.603 6.643 1.017 1.00 0.46 C ATOM 682 C LEU A 43 -0.255 6.239 -0.175 1.00 0.49 C ATOM 683 O LEU A 43 -0.154 6.823 -1.257 1.00 0.65 O ATOM 684 CB LEU A 43 0.857 8.152 1.005 1.00 0.47 C ATOM 685 CG LEU A 43 1.538 8.707 2.260 1.00 0.64 C ATOM 686 CD1 LEU A 43 2.052 10.114 2.011 1.00 0.98 C ATOM 687 CD2 LEU A 43 0.577 8.698 3.440 1.00 1.14 C ATOM 0 H LEU A 43 2.658 6.444 0.651 1.00 0.47 H new ATOM 0 HA LEU A 43 0.059 6.385 1.926 1.00 0.46 H new ATOM 0 HB2 LEU A 43 1.473 8.394 0.139 1.00 0.47 H new ATOM 0 HB3 LEU A 43 -0.096 8.664 0.871 1.00 0.47 H new ATOM 0 HG LEU A 43 2.386 8.065 2.499 1.00 0.64 H new ATOM 0 HD11 LEU A 43 2.532 10.491 2.914 1.00 0.98 H new ATOM 0 HD12 LEU A 43 2.775 10.098 1.195 1.00 0.98 H new ATOM 0 HD13 LEU A 43 1.218 10.764 1.745 1.00 0.98 H new ATOM 0 HD21 LEU A 43 1.080 9.096 4.322 1.00 1.14 H new ATOM 0 HD22 LEU A 43 -0.291 9.315 3.207 1.00 1.14 H new ATOM 0 HD23 LEU A 43 0.253 7.676 3.637 1.00 1.14 H new ATOM 699 N ILE A 44 -1.086 5.228 0.032 1.00 0.55 N ATOM 700 CA ILE A 44 -1.977 4.735 -1.009 1.00 0.63 C ATOM 701 C ILE A 44 -3.419 4.768 -0.523 1.00 0.63 C ATOM 702 O ILE A 44 -3.852 3.883 0.216 1.00 0.92 O ATOM 703 CB ILE A 44 -1.640 3.287 -1.432 1.00 0.95 C ATOM 704 CG1 ILE A 44 -0.190 2.932 -1.087 1.00 1.33 C ATOM 705 CG2 ILE A 44 -1.889 3.106 -2.922 1.00 1.57 C ATOM 706 CD1 ILE A 44 0.146 1.470 -1.299 1.00 1.75 C ATOM 0 H ILE A 44 -1.162 4.729 0.919 1.00 0.55 H new ATOM 0 HA ILE A 44 -1.844 5.389 -1.871 1.00 0.63 H new ATOM 0 HB ILE A 44 -2.291 2.611 -0.878 1.00 0.95 H new ATOM 0 HG12 ILE A 44 0.478 3.541 -1.695 1.00 1.33 H new ATOM 0 HG13 ILE A 44 0.001 3.192 -0.046 1.00 1.33 H new ATOM 0 HG21 ILE A 44 -1.648 2.082 -3.209 1.00 1.57 H new ATOM 0 HG22 ILE A 44 -2.937 3.308 -3.143 1.00 1.57 H new ATOM 0 HG23 ILE A 44 -1.260 3.798 -3.483 1.00 1.57 H new ATOM 0 HD11 ILE A 44 1.189 1.294 -1.034 1.00 1.75 H new ATOM 0 HD12 ILE A 44 -0.497 0.854 -0.670 1.00 1.75 H new ATOM 0 HD13 ILE A 44 -0.012 1.208 -2.345 1.00 1.75 H new ATOM 718 N PHE A 45 -4.163 5.782 -0.930 1.00 0.58 N ATOM 719 CA PHE A 45 -5.554 5.908 -0.519 1.00 0.72 C ATOM 720 C PHE A 45 -6.471 5.144 -1.469 1.00 0.86 C ATOM 721 O PHE A 45 -6.829 5.644 -2.534 1.00 0.83 O ATOM 722 CB PHE A 45 -5.968 7.380 -0.443 1.00 0.77 C ATOM 723 CG PHE A 45 -7.363 7.591 0.076 1.00 1.02 C ATOM 724 CD1 PHE A 45 -7.804 6.929 1.212 1.00 1.68 C ATOM 725 CD2 PHE A 45 -8.236 8.445 -0.576 1.00 0.98 C ATOM 726 CE1 PHE A 45 -9.086 7.120 1.689 1.00 1.95 C ATOM 727 CE2 PHE A 45 -9.520 8.639 -0.105 1.00 1.21 C ATOM 728 CZ PHE A 45 -9.947 7.975 1.028 1.00 1.59 C ATOM 0 H PHE A 45 -3.831 6.528 -1.542 1.00 0.58 H new ATOM 0 HA PHE A 45 -5.652 5.473 0.476 1.00 0.72 H new ATOM 0 HB2 PHE A 45 -5.267 7.912 0.200 1.00 0.77 H new ATOM 0 HB3 PHE A 45 -5.889 7.822 -1.436 1.00 0.77 H new ATOM 0 HD1 PHE A 45 -7.137 6.256 1.730 1.00 1.68 H new ATOM 0 HD2 PHE A 45 -7.909 8.966 -1.464 1.00 0.98 H new ATOM 0 HE1 PHE A 45 -9.415 6.602 2.578 1.00 1.95 H new ATOM 0 HE2 PHE A 45 -10.190 9.310 -0.623 1.00 1.21 H new ATOM 0 HZ PHE A 45 -10.951 8.124 1.396 1.00 1.59 H new ATOM 738 N ALA A 46 -6.821 3.918 -1.078 1.00 1.21 N ATOM 739 CA ALA A 46 -7.702 3.054 -1.866 1.00 1.45 C ATOM 740 C ALA A 46 -7.184 2.869 -3.288 1.00 1.26 C ATOM 741 O ALA A 46 -7.959 2.690 -4.229 1.00 1.24 O ATOM 742 CB ALA A 46 -9.118 3.610 -1.882 1.00 1.65 C ATOM 0 H ALA A 46 -6.502 3.496 -0.206 1.00 1.21 H new ATOM 0 HA ALA A 46 -7.715 2.073 -1.390 1.00 1.45 H new ATOM 0 HB1 ALA A 46 -9.759 2.955 -2.472 1.00 1.65 H new ATOM 0 HB2 ALA A 46 -9.498 3.667 -0.862 1.00 1.65 H new ATOM 0 HB3 ALA A 46 -9.113 4.607 -2.323 1.00 1.65 H new ATOM 748 N GLY A 47 -5.869 2.910 -3.438 1.00 1.29 N ATOM 749 CA GLY A 47 -5.269 2.745 -4.742 1.00 1.38 C ATOM 750 C GLY A 47 -4.537 3.986 -5.202 1.00 1.26 C ATOM 751 O GLY A 47 -3.599 3.899 -5.987 1.00 1.51 O ATOM 0 H GLY A 47 -5.206 3.055 -2.676 1.00 1.29 H new ATOM 0 HA2 GLY A 47 -4.574 1.906 -4.715 1.00 1.38 H new ATOM 0 HA3 GLY A 47 -6.044 2.494 -5.466 1.00 1.38 H new ATOM 755 N LYS A 48 -4.953 5.142 -4.709 1.00 1.08 N ATOM 756 CA LYS A 48 -4.319 6.397 -5.094 1.00 1.25 C ATOM 757 C LYS A 48 -2.947 6.534 -4.440 1.00 1.05 C ATOM 758 O LYS A 48 -2.837 6.953 -3.286 1.00 1.03 O ATOM 759 CB LYS A 48 -5.203 7.592 -4.713 1.00 1.51 C ATOM 760 CG LYS A 48 -6.656 7.446 -5.136 1.00 1.98 C ATOM 761 CD LYS A 48 -6.816 7.478 -6.647 1.00 2.33 C ATOM 762 CE LYS A 48 -8.244 7.148 -7.058 1.00 2.71 C ATOM 763 NZ LYS A 48 -9.234 8.078 -6.446 1.00 3.64 N ATOM 0 H LYS A 48 -5.722 5.239 -4.046 1.00 1.08 H new ATOM 0 HA LYS A 48 -4.190 6.388 -6.176 1.00 1.25 H new ATOM 0 HB2 LYS A 48 -5.162 7.731 -3.633 1.00 1.51 H new ATOM 0 HB3 LYS A 48 -4.792 8.494 -5.167 1.00 1.51 H new ATOM 0 HG2 LYS A 48 -7.053 6.508 -4.749 1.00 1.98 H new ATOM 0 HG3 LYS A 48 -7.245 8.249 -4.692 1.00 1.98 H new ATOM 0 HD2 LYS A 48 -6.546 8.465 -7.023 1.00 2.33 H new ATOM 0 HD3 LYS A 48 -6.130 6.764 -7.103 1.00 2.33 H new ATOM 0 HE2 LYS A 48 -8.328 7.194 -8.144 1.00 2.71 H new ATOM 0 HE3 LYS A 48 -8.478 6.125 -6.763 1.00 2.71 H new ATOM 0 HZ1 LYS A 48 -10.170 7.915 -6.868 1.00 3.64 H new ATOM 0 HZ2 LYS A 48 -9.282 7.908 -5.421 1.00 3.64 H new ATOM 0 HZ3 LYS A 48 -8.941 9.061 -6.621 1.00 3.64 H new ATOM 777 N GLN A 49 -1.911 6.148 -5.175 1.00 0.98 N ATOM 778 CA GLN A 49 -0.542 6.234 -4.685 1.00 0.86 C ATOM 779 C GLN A 49 0.006 7.631 -4.937 1.00 0.85 C ATOM 780 O GLN A 49 0.029 8.103 -6.074 1.00 0.98 O ATOM 781 CB GLN A 49 0.336 5.179 -5.370 1.00 1.01 C ATOM 782 CG GLN A 49 1.821 5.272 -5.035 1.00 1.26 C ATOM 783 CD GLN A 49 2.122 5.021 -3.568 1.00 1.41 C ATOM 784 OE1 GLN A 49 2.194 3.876 -3.124 1.00 1.50 O ATOM 785 NE2 GLN A 49 2.332 6.087 -2.813 1.00 2.20 N ATOM 0 H GLN A 49 -1.995 5.770 -6.119 1.00 0.98 H new ATOM 0 HA GLN A 49 -0.534 6.040 -3.612 1.00 0.86 H new ATOM 0 HB2 GLN A 49 -0.024 4.189 -5.091 1.00 1.01 H new ATOM 0 HB3 GLN A 49 0.214 5.270 -6.449 1.00 1.01 H new ATOM 0 HG2 GLN A 49 2.369 4.550 -5.640 1.00 1.26 H new ATOM 0 HG3 GLN A 49 2.187 6.261 -5.310 1.00 1.26 H new ATOM 0 HE21 GLN A 49 2.263 7.021 -3.218 1.00 2.20 H new ATOM 0 HE22 GLN A 49 2.563 5.975 -1.826 1.00 2.20 H new ATOM 794 N LEU A 50 0.422 8.293 -3.870 1.00 0.77 N ATOM 795 CA LEU A 50 0.966 9.638 -3.967 1.00 0.82 C ATOM 796 C LEU A 50 2.475 9.589 -4.195 1.00 0.89 C ATOM 797 O LEU A 50 3.170 8.747 -3.615 1.00 0.93 O ATOM 798 CB LEU A 50 0.659 10.425 -2.688 1.00 0.75 C ATOM 799 CG LEU A 50 -0.725 10.171 -2.073 1.00 0.73 C ATOM 800 CD1 LEU A 50 -0.874 10.927 -0.762 1.00 1.01 C ATOM 801 CD2 LEU A 50 -1.831 10.570 -3.039 1.00 0.87 C ATOM 0 H LEU A 50 0.393 7.919 -2.922 1.00 0.77 H new ATOM 0 HA LEU A 50 0.499 10.139 -4.815 1.00 0.82 H new ATOM 0 HB2 LEU A 50 1.418 10.185 -1.943 1.00 0.75 H new ATOM 0 HB3 LEU A 50 0.751 11.489 -2.906 1.00 0.75 H new ATOM 0 HG LEU A 50 -0.813 9.103 -1.873 1.00 0.73 H new ATOM 0 HD11 LEU A 50 -1.861 10.735 -0.341 1.00 1.01 H new ATOM 0 HD12 LEU A 50 -0.109 10.593 -0.061 1.00 1.01 H new ATOM 0 HD13 LEU A 50 -0.759 11.996 -0.943 1.00 1.01 H new ATOM 0 HD21 LEU A 50 -2.801 10.380 -2.580 1.00 0.87 H new ATOM 0 HD22 LEU A 50 -1.743 11.630 -3.275 1.00 0.87 H new ATOM 0 HD23 LEU A 50 -1.743 9.986 -3.955 1.00 0.87 H new ATOM 813 N GLU A 51 2.977 10.481 -5.037 1.00 0.95 N ATOM 814 CA GLU A 51 4.398 10.547 -5.328 1.00 1.07 C ATOM 815 C GLU A 51 5.088 11.460 -4.330 1.00 0.91 C ATOM 816 O GLU A 51 4.642 12.581 -4.092 1.00 0.89 O ATOM 817 CB GLU A 51 4.646 11.052 -6.752 1.00 1.37 C ATOM 818 CG GLU A 51 4.466 9.988 -7.822 1.00 1.59 C ATOM 819 CD GLU A 51 3.019 9.785 -8.217 1.00 1.84 C ATOM 820 OE1 GLU A 51 2.287 10.789 -8.345 1.00 2.64 O ATOM 821 OE2 GLU A 51 2.612 8.623 -8.424 1.00 1.95 O ATOM 0 H GLU A 51 2.415 11.173 -5.533 1.00 0.95 H new ATOM 0 HA GLU A 51 4.809 9.541 -5.246 1.00 1.07 H new ATOM 0 HB2 GLU A 51 3.966 11.879 -6.957 1.00 1.37 H new ATOM 0 HB3 GLU A 51 5.659 11.449 -6.815 1.00 1.37 H new ATOM 0 HG2 GLU A 51 5.042 10.267 -8.704 1.00 1.59 H new ATOM 0 HG3 GLU A 51 4.874 9.044 -7.460 1.00 1.59 H new ATOM 828 N ASP A 52 6.184 10.977 -3.767 1.00 0.89 N ATOM 829 CA ASP A 52 6.950 11.720 -2.764 1.00 0.90 C ATOM 830 C ASP A 52 7.359 13.109 -3.251 1.00 1.06 C ATOM 831 O ASP A 52 7.364 14.068 -2.478 1.00 1.66 O ATOM 832 CB ASP A 52 8.201 10.928 -2.380 1.00 0.94 C ATOM 833 CG ASP A 52 7.946 9.912 -1.286 1.00 1.07 C ATOM 834 OD1 ASP A 52 6.877 9.260 -1.293 1.00 1.51 O ATOM 835 OD2 ASP A 52 8.821 9.748 -0.414 1.00 1.32 O ATOM 0 H ASP A 52 6.572 10.060 -3.988 1.00 0.89 H new ATOM 0 HA ASP A 52 6.302 11.853 -1.897 1.00 0.90 H new ATOM 0 HB2 ASP A 52 8.585 10.415 -3.262 1.00 0.94 H new ATOM 0 HB3 ASP A 52 8.976 11.620 -2.052 1.00 0.94 H new ATOM 840 N GLY A 53 7.668 13.220 -4.538 1.00 1.02 N ATOM 841 CA GLY A 53 8.104 14.490 -5.090 1.00 1.10 C ATOM 842 C GLY A 53 6.972 15.403 -5.533 1.00 1.05 C ATOM 843 O GLY A 53 7.214 16.384 -6.234 1.00 1.14 O ATOM 0 H GLY A 53 7.625 12.453 -5.209 1.00 1.02 H new ATOM 0 HA2 GLY A 53 8.703 15.011 -4.343 1.00 1.10 H new ATOM 0 HA3 GLY A 53 8.755 14.298 -5.943 1.00 1.10 H new ATOM 847 N ARG A 54 5.747 15.096 -5.132 1.00 0.93 N ATOM 848 CA ARG A 54 4.603 15.919 -5.504 1.00 0.91 C ATOM 849 C ARG A 54 4.079 16.683 -4.295 1.00 0.83 C ATOM 850 O ARG A 54 4.596 16.530 -3.188 1.00 0.82 O ATOM 851 CB ARG A 54 3.493 15.060 -6.112 1.00 0.93 C ATOM 852 CG ARG A 54 3.682 14.774 -7.595 1.00 1.03 C ATOM 853 CD ARG A 54 3.580 16.044 -8.430 1.00 1.30 C ATOM 854 NE ARG A 54 4.879 16.692 -8.613 1.00 1.89 N ATOM 855 CZ ARG A 54 5.140 17.964 -8.299 1.00 2.64 C ATOM 856 NH1 ARG A 54 4.206 18.736 -7.758 1.00 2.91 N ATOM 857 NH2 ARG A 54 6.347 18.463 -8.520 1.00 3.46 N ATOM 0 H ARG A 54 5.519 14.288 -4.552 1.00 0.93 H new ATOM 0 HA ARG A 54 4.931 16.638 -6.254 1.00 0.91 H new ATOM 0 HB2 ARG A 54 3.441 14.114 -5.573 1.00 0.93 H new ATOM 0 HB3 ARG A 54 2.537 15.562 -5.967 1.00 0.93 H new ATOM 0 HG2 ARG A 54 4.655 14.310 -7.755 1.00 1.03 H new ATOM 0 HG3 ARG A 54 2.929 14.059 -7.927 1.00 1.03 H new ATOM 0 HD2 ARG A 54 3.156 15.803 -9.405 1.00 1.30 H new ATOM 0 HD3 ARG A 54 2.894 16.740 -7.947 1.00 1.30 H new ATOM 0 HE ARG A 54 5.637 16.135 -9.007 1.00 1.89 H new ATOM 0 HH11 ARG A 54 3.275 18.360 -7.577 1.00 2.91 H new ATOM 0 HH12 ARG A 54 4.419 19.706 -7.523 1.00 2.91 H new ATOM 0 HH21 ARG A 54 7.074 17.876 -8.929 1.00 3.46 H new ATOM 0 HH22 ARG A 54 6.549 19.434 -8.281 1.00 3.46 H new ATOM 871 N THR A 55 3.051 17.494 -4.500 1.00 0.80 N ATOM 872 CA THR A 55 2.479 18.280 -3.419 1.00 0.76 C ATOM 873 C THR A 55 1.061 17.819 -3.098 1.00 0.71 C ATOM 874 O THR A 55 0.423 17.137 -3.899 1.00 0.73 O ATOM 875 CB THR A 55 2.469 19.788 -3.760 1.00 0.81 C ATOM 876 OG1 THR A 55 1.887 20.005 -5.052 1.00 1.06 O ATOM 877 CG2 THR A 55 3.877 20.363 -3.736 1.00 0.96 C ATOM 0 H THR A 55 2.597 17.624 -5.404 1.00 0.80 H new ATOM 0 HA THR A 55 3.110 18.126 -2.543 1.00 0.76 H new ATOM 0 HB THR A 55 1.870 20.295 -3.003 1.00 0.81 H new ATOM 0 HG1 THR A 55 1.570 19.152 -5.415 1.00 1.06 H new ATOM 0 HG21 THR A 55 3.841 21.425 -3.979 1.00 0.96 H new ATOM 0 HG22 THR A 55 4.306 20.233 -2.743 1.00 0.96 H new ATOM 0 HG23 THR A 55 4.495 19.844 -4.469 1.00 0.96 H new ATOM 885 N LEU A 56 0.584 18.183 -1.916 1.00 0.68 N ATOM 886 CA LEU A 56 -0.757 17.813 -1.474 1.00 0.67 C ATOM 887 C LEU A 56 -1.837 18.281 -2.449 1.00 0.70 C ATOM 888 O LEU A 56 -2.749 17.521 -2.785 1.00 0.71 O ATOM 889 CB LEU A 56 -1.025 18.384 -0.083 1.00 0.68 C ATOM 890 CG LEU A 56 -1.166 17.343 1.028 1.00 0.76 C ATOM 891 CD1 LEU A 56 0.032 16.408 1.051 1.00 1.34 C ATOM 892 CD2 LEU A 56 -1.327 18.024 2.372 1.00 1.26 C ATOM 0 H LEU A 56 1.109 18.738 -1.240 1.00 0.68 H new ATOM 0 HA LEU A 56 -0.800 16.724 -1.439 1.00 0.67 H new ATOM 0 HB2 LEU A 56 -0.213 19.063 0.177 1.00 0.68 H new ATOM 0 HB3 LEU A 56 -1.938 18.979 -0.121 1.00 0.68 H new ATOM 0 HG LEU A 56 -2.058 16.750 0.826 1.00 0.76 H new ATOM 0 HD11 LEU A 56 -0.092 15.677 1.850 1.00 1.34 H new ATOM 0 HD12 LEU A 56 0.108 15.891 0.095 1.00 1.34 H new ATOM 0 HD13 LEU A 56 0.940 16.985 1.225 1.00 1.34 H new ATOM 0 HD21 LEU A 56 -1.426 17.270 3.153 1.00 1.26 H new ATOM 0 HD22 LEU A 56 -0.452 18.642 2.574 1.00 1.26 H new ATOM 0 HD23 LEU A 56 -2.219 18.651 2.358 1.00 1.26 H new ATOM 904 N SER A 57 -1.735 19.523 -2.911 1.00 0.74 N ATOM 905 CA SER A 57 -2.714 20.083 -3.838 1.00 0.79 C ATOM 906 C SER A 57 -2.725 19.366 -5.195 1.00 0.82 C ATOM 907 O SER A 57 -3.589 19.627 -6.030 1.00 0.84 O ATOM 908 CB SER A 57 -2.443 21.576 -4.030 1.00 0.86 C ATOM 909 OG SER A 57 -1.133 21.913 -3.603 1.00 0.95 O ATOM 0 H SER A 57 -0.982 20.163 -2.658 1.00 0.74 H new ATOM 0 HA SER A 57 -3.700 19.936 -3.398 1.00 0.79 H new ATOM 0 HB2 SER A 57 -2.566 21.840 -5.080 1.00 0.86 H new ATOM 0 HB3 SER A 57 -3.174 22.157 -3.468 1.00 0.86 H new ATOM 0 HG SER A 57 -1.132 22.056 -2.633 1.00 0.95 H new ATOM 915 N ASP A 58 -1.783 18.454 -5.409 1.00 0.83 N ATOM 916 CA ASP A 58 -1.710 17.714 -6.668 1.00 0.88 C ATOM 917 C ASP A 58 -2.807 16.660 -6.738 1.00 0.88 C ATOM 918 O ASP A 58 -3.349 16.377 -7.807 1.00 0.94 O ATOM 919 CB ASP A 58 -0.351 17.022 -6.824 1.00 0.89 C ATOM 920 CG ASP A 58 0.708 17.908 -7.446 1.00 0.87 C ATOM 921 OD1 ASP A 58 0.492 18.400 -8.572 1.00 1.03 O ATOM 922 OD2 ASP A 58 1.770 18.104 -6.819 1.00 1.03 O ATOM 0 H ASP A 58 -1.061 18.209 -4.731 1.00 0.83 H new ATOM 0 HA ASP A 58 -1.841 18.435 -7.475 1.00 0.88 H new ATOM 0 HB2 ASP A 58 -0.007 16.690 -5.845 1.00 0.89 H new ATOM 0 HB3 ASP A 58 -0.474 16.130 -7.438 1.00 0.89 H new ATOM 927 N TYR A 59 -3.133 16.082 -5.591 1.00 0.84 N ATOM 928 CA TYR A 59 -4.143 15.034 -5.529 1.00 0.87 C ATOM 929 C TYR A 59 -5.414 15.501 -4.833 1.00 0.86 C ATOM 930 O TYR A 59 -6.081 14.708 -4.167 1.00 0.89 O ATOM 931 CB TYR A 59 -3.583 13.811 -4.799 1.00 0.81 C ATOM 932 CG TYR A 59 -2.189 13.428 -5.234 1.00 0.82 C ATOM 933 CD1 TYR A 59 -1.989 12.556 -6.296 1.00 0.90 C ATOM 934 CD2 TYR A 59 -1.074 13.936 -4.580 1.00 0.84 C ATOM 935 CE1 TYR A 59 -0.714 12.201 -6.695 1.00 0.98 C ATOM 936 CE2 TYR A 59 0.199 13.588 -4.973 1.00 0.91 C ATOM 937 CZ TYR A 59 0.375 12.720 -6.029 1.00 0.98 C ATOM 938 OH TYR A 59 1.648 12.376 -6.412 1.00 1.11 O ATOM 0 H TYR A 59 -2.714 16.320 -4.692 1.00 0.84 H new ATOM 0 HA TYR A 59 -4.401 14.773 -6.555 1.00 0.87 H new ATOM 0 HB2 TYR A 59 -3.577 14.010 -3.727 1.00 0.81 H new ATOM 0 HB3 TYR A 59 -4.250 12.965 -4.963 1.00 0.81 H new ATOM 0 HD1 TYR A 59 -2.842 12.149 -6.818 1.00 0.90 H new ATOM 0 HD2 TYR A 59 -1.207 14.614 -3.750 1.00 0.84 H new ATOM 0 HE1 TYR A 59 -0.572 11.522 -7.523 1.00 0.98 H new ATOM 0 HE2 TYR A 59 1.056 13.994 -4.456 1.00 0.91 H new ATOM 0 HH TYR A 59 1.622 11.962 -7.300 1.00 1.11 H new ATOM 948 N ASN A 60 -5.752 16.782 -4.984 1.00 0.86 N ATOM 949 CA ASN A 60 -6.962 17.348 -4.378 1.00 0.87 C ATOM 950 C ASN A 60 -6.999 17.130 -2.863 1.00 0.80 C ATOM 951 O ASN A 60 -8.058 16.879 -2.288 1.00 0.81 O ATOM 952 CB ASN A 60 -8.215 16.746 -5.027 1.00 0.95 C ATOM 953 CG ASN A 60 -9.453 17.603 -4.828 1.00 1.00 C ATOM 954 OD1 ASN A 60 -9.390 18.832 -4.871 1.00 0.99 O ATOM 955 ND2 ASN A 60 -10.587 16.957 -4.601 1.00 1.07 N ATOM 0 H ASN A 60 -5.203 17.452 -5.523 1.00 0.86 H new ATOM 0 HA ASN A 60 -6.943 18.423 -4.557 1.00 0.87 H new ATOM 0 HB2 ASN A 60 -8.038 16.615 -6.094 1.00 0.95 H new ATOM 0 HB3 ASN A 60 -8.394 15.755 -4.609 1.00 0.95 H new ATOM 0 HD21 ASN A 60 -11.451 17.479 -4.454 1.00 1.07 H new ATOM 0 HD22 ASN A 60 -10.596 15.937 -4.573 1.00 1.07 H new ATOM 962 N ILE A 61 -5.847 17.215 -2.216 1.00 0.75 N ATOM 963 CA ILE A 61 -5.788 17.033 -0.774 1.00 0.70 C ATOM 964 C ILE A 61 -5.956 18.379 -0.082 1.00 0.72 C ATOM 965 O ILE A 61 -5.240 19.337 -0.381 1.00 0.76 O ATOM 966 CB ILE A 61 -4.472 16.360 -0.324 1.00 0.66 C ATOM 967 CG1 ILE A 61 -4.272 15.038 -1.071 1.00 0.66 C ATOM 968 CG2 ILE A 61 -4.488 16.123 1.182 1.00 0.63 C ATOM 969 CD1 ILE A 61 -2.895 14.432 -0.885 1.00 0.63 C ATOM 0 H ILE A 61 -4.949 17.407 -2.661 1.00 0.75 H new ATOM 0 HA ILE A 61 -6.602 16.367 -0.489 1.00 0.70 H new ATOM 0 HB ILE A 61 -3.640 17.023 -0.561 1.00 0.66 H new ATOM 0 HG12 ILE A 61 -5.022 14.323 -0.732 1.00 0.66 H new ATOM 0 HG13 ILE A 61 -4.446 15.203 -2.134 1.00 0.66 H new ATOM 0 HG21 ILE A 61 -3.555 15.648 1.486 1.00 0.63 H new ATOM 0 HG22 ILE A 61 -4.595 17.076 1.699 1.00 0.63 H new ATOM 0 HG23 ILE A 61 -5.325 15.475 1.439 1.00 0.63 H new ATOM 0 HD11 ILE A 61 -2.830 13.498 -1.444 1.00 0.63 H new ATOM 0 HD12 ILE A 61 -2.139 15.127 -1.250 1.00 0.63 H new ATOM 0 HD13 ILE A 61 -2.724 14.234 0.173 1.00 0.63 H new ATOM 981 N GLN A 62 -6.917 18.448 0.827 1.00 0.72 N ATOM 982 CA GLN A 62 -7.206 19.678 1.546 1.00 0.75 C ATOM 983 C GLN A 62 -7.386 19.399 3.030 1.00 0.73 C ATOM 984 O GLN A 62 -6.989 18.347 3.528 1.00 0.70 O ATOM 985 CB GLN A 62 -8.474 20.324 0.988 1.00 0.82 C ATOM 986 CG GLN A 62 -8.332 20.811 -0.442 1.00 0.86 C ATOM 987 CD GLN A 62 -9.644 20.793 -1.195 1.00 0.98 C ATOM 988 OE1 GLN A 62 -10.716 20.938 -0.608 1.00 1.04 O ATOM 989 NE2 GLN A 62 -9.570 20.613 -2.501 1.00 1.14 N ATOM 0 H GLN A 62 -7.513 17.661 1.085 1.00 0.72 H new ATOM 0 HA GLN A 62 -6.365 20.359 1.416 1.00 0.75 H new ATOM 0 HB2 GLN A 62 -9.290 19.603 1.038 1.00 0.82 H new ATOM 0 HB3 GLN A 62 -8.752 21.165 1.623 1.00 0.82 H new ATOM 0 HG2 GLN A 62 -7.933 21.825 -0.439 1.00 0.86 H new ATOM 0 HG3 GLN A 62 -7.608 20.186 -0.965 1.00 0.86 H new ATOM 0 HE21 GLN A 62 -8.661 20.497 -2.949 1.00 1.14 H new ATOM 0 HE22 GLN A 62 -10.422 20.590 -3.062 1.00 1.14 H new ATOM 998 N LYS A 63 -7.970 20.356 3.735 1.00 0.78 N ATOM 999 CA LYS A 63 -8.224 20.211 5.159 1.00 0.81 C ATOM 1000 C LYS A 63 -9.240 19.102 5.417 1.00 0.84 C ATOM 1001 O LYS A 63 -10.114 18.844 4.584 1.00 0.88 O ATOM 1002 CB LYS A 63 -8.726 21.537 5.735 1.00 0.89 C ATOM 1003 CG LYS A 63 -10.040 22.015 5.130 1.00 0.98 C ATOM 1004 CD LYS A 63 -10.114 23.533 5.089 1.00 1.05 C ATOM 1005 CE LYS A 63 -9.372 24.091 3.885 1.00 1.20 C ATOM 1006 NZ LYS A 63 -9.250 25.571 3.939 1.00 1.50 N ATOM 0 H LYS A 63 -8.278 21.245 3.341 1.00 0.78 H new ATOM 0 HA LYS A 63 -7.292 19.938 5.653 1.00 0.81 H new ATOM 0 HB2 LYS A 63 -8.851 21.430 6.812 1.00 0.89 H new ATOM 0 HB3 LYS A 63 -7.965 22.302 5.577 1.00 0.89 H new ATOM 0 HG2 LYS A 63 -10.143 21.617 4.120 1.00 0.98 H new ATOM 0 HG3 LYS A 63 -10.874 21.624 5.713 1.00 0.98 H new ATOM 0 HD2 LYS A 63 -11.157 23.847 5.053 1.00 1.05 H new ATOM 0 HD3 LYS A 63 -9.688 23.945 6.004 1.00 1.05 H new ATOM 0 HE2 LYS A 63 -8.378 23.647 3.835 1.00 1.20 H new ATOM 0 HE3 LYS A 63 -9.895 23.804 2.973 1.00 1.20 H new ATOM 0 HZ1 LYS A 63 -8.738 25.908 3.099 1.00 1.50 H new ATOM 0 HZ2 LYS A 63 -10.199 25.997 3.960 1.00 1.50 H new ATOM 0 HZ3 LYS A 63 -8.728 25.845 4.796 1.00 1.50 H new ATOM 1020 N GLU A 64 -9.102 18.445 6.569 1.00 0.86 N ATOM 1021 CA GLU A 64 -9.990 17.352 6.981 1.00 0.91 C ATOM 1022 C GLU A 64 -9.937 16.149 6.029 1.00 0.83 C ATOM 1023 O GLU A 64 -10.733 15.215 6.162 1.00 0.87 O ATOM 1024 CB GLU A 64 -11.431 17.860 7.114 1.00 1.04 C ATOM 1025 CG GLU A 64 -11.776 18.381 8.502 1.00 1.15 C ATOM 1026 CD GLU A 64 -10.815 19.446 8.993 1.00 1.26 C ATOM 1027 OE1 GLU A 64 -10.811 20.559 8.427 1.00 1.64 O ATOM 1028 OE2 GLU A 64 -10.067 19.178 9.957 1.00 1.73 O ATOM 0 H GLU A 64 -8.369 18.655 7.247 1.00 0.86 H new ATOM 0 HA GLU A 64 -9.633 17.004 7.950 1.00 0.91 H new ATOM 0 HB2 GLU A 64 -11.594 18.656 6.387 1.00 1.04 H new ATOM 0 HB3 GLU A 64 -12.116 17.051 6.860 1.00 1.04 H new ATOM 0 HG2 GLU A 64 -12.786 18.790 8.489 1.00 1.15 H new ATOM 0 HG3 GLU A 64 -11.777 17.549 9.206 1.00 1.15 H new ATOM 1035 N SER A 65 -9.007 16.163 5.079 1.00 0.74 N ATOM 1036 CA SER A 65 -8.876 15.062 4.133 1.00 0.68 C ATOM 1037 C SER A 65 -8.381 13.805 4.836 1.00 0.61 C ATOM 1038 O SER A 65 -7.587 13.876 5.775 1.00 0.59 O ATOM 1039 CB SER A 65 -7.928 15.435 2.992 1.00 0.65 C ATOM 1040 OG SER A 65 -8.534 16.369 2.112 1.00 0.72 O ATOM 0 H SER A 65 -8.337 16.920 4.945 1.00 0.74 H new ATOM 0 HA SER A 65 -9.861 14.862 3.713 1.00 0.68 H new ATOM 0 HB2 SER A 65 -7.010 15.858 3.401 1.00 0.65 H new ATOM 0 HB3 SER A 65 -7.648 14.538 2.439 1.00 0.65 H new ATOM 0 HG SER A 65 -8.495 16.027 1.194 1.00 0.72 H new ATOM 1046 N THR A 66 -8.861 12.660 4.384 1.00 0.59 N ATOM 1047 CA THR A 66 -8.477 11.390 4.965 1.00 0.57 C ATOM 1048 C THR A 66 -7.758 10.525 3.935 1.00 0.55 C ATOM 1049 O THR A 66 -8.281 10.272 2.852 1.00 0.61 O ATOM 1050 CB THR A 66 -9.709 10.638 5.503 1.00 0.66 C ATOM 1051 OG1 THR A 66 -10.557 11.551 6.215 1.00 0.76 O ATOM 1052 CG2 THR A 66 -9.299 9.501 6.426 1.00 0.68 C ATOM 0 H THR A 66 -9.522 12.586 3.611 1.00 0.59 H new ATOM 0 HA THR A 66 -7.800 11.594 5.795 1.00 0.57 H new ATOM 0 HB THR A 66 -10.247 10.214 4.655 1.00 0.66 H new ATOM 0 HG1 THR A 66 -11.341 11.072 6.555 1.00 0.76 H new ATOM 0 HG21 THR A 66 -10.190 8.989 6.790 1.00 0.68 H new ATOM 0 HG22 THR A 66 -8.673 8.796 5.879 1.00 0.68 H new ATOM 0 HG23 THR A 66 -8.740 9.902 7.271 1.00 0.68 H new ATOM 1060 N LEU A 67 -6.553 10.098 4.272 1.00 0.51 N ATOM 1061 CA LEU A 67 -5.758 9.259 3.393 1.00 0.53 C ATOM 1062 C LEU A 67 -5.587 7.884 4.028 1.00 0.56 C ATOM 1063 O LEU A 67 -6.305 7.537 4.970 1.00 0.77 O ATOM 1064 CB LEU A 67 -4.388 9.902 3.137 1.00 0.53 C ATOM 1065 CG LEU A 67 -4.417 11.217 2.356 1.00 0.58 C ATOM 1066 CD1 LEU A 67 -3.073 11.924 2.453 1.00 0.73 C ATOM 1067 CD2 LEU A 67 -4.778 10.965 0.899 1.00 0.84 C ATOM 0 H LEU A 67 -6.100 10.322 5.158 1.00 0.51 H new ATOM 0 HA LEU A 67 -6.270 9.153 2.436 1.00 0.53 H new ATOM 0 HB2 LEU A 67 -3.904 10.080 4.097 1.00 0.53 H new ATOM 0 HB3 LEU A 67 -3.767 9.190 2.594 1.00 0.53 H new ATOM 0 HG LEU A 67 -5.180 11.860 2.795 1.00 0.58 H new ATOM 0 HD11 LEU A 67 -3.112 12.858 1.892 1.00 0.73 H new ATOM 0 HD12 LEU A 67 -2.849 12.138 3.498 1.00 0.73 H new ATOM 0 HD13 LEU A 67 -2.294 11.284 2.039 1.00 0.73 H new ATOM 0 HD21 LEU A 67 -4.794 11.912 0.359 1.00 0.84 H new ATOM 0 HD22 LEU A 67 -4.037 10.303 0.450 1.00 0.84 H new ATOM 0 HD23 LEU A 67 -5.762 10.499 0.843 1.00 0.84 H new ATOM 1079 N HIS A 68 -4.646 7.103 3.525 1.00 0.50 N ATOM 1080 CA HIS A 68 -4.389 5.778 4.062 1.00 0.54 C ATOM 1081 C HIS A 68 -2.898 5.498 4.023 1.00 0.49 C ATOM 1082 O HIS A 68 -2.220 5.825 3.049 1.00 0.50 O ATOM 1083 CB HIS A 68 -5.162 4.705 3.289 1.00 0.63 C ATOM 1084 CG HIS A 68 -6.364 4.189 4.020 1.00 0.70 C ATOM 1085 ND1 HIS A 68 -7.310 5.013 4.590 1.00 1.18 N ATOM 1086 CD2 HIS A 68 -6.775 2.922 4.269 1.00 1.42 C ATOM 1087 CE1 HIS A 68 -8.250 4.278 5.155 1.00 1.33 C ATOM 1088 NE2 HIS A 68 -7.949 3.007 4.974 1.00 1.45 N ATOM 0 H HIS A 68 -4.046 7.365 2.743 1.00 0.50 H new ATOM 0 HA HIS A 68 -4.735 5.747 5.095 1.00 0.54 H new ATOM 0 HB2 HIS A 68 -5.479 5.117 2.331 1.00 0.63 H new ATOM 0 HB3 HIS A 68 -4.493 3.872 3.073 1.00 0.63 H new ATOM 0 HD1 HIS A 68 -7.288 6.033 4.577 1.00 1.18 H new ATOM 0 HD2 HIS A 68 -6.272 2.015 3.969 1.00 1.42 H new ATOM 0 HE1 HIS A 68 -9.118 4.654 5.677 1.00 1.33 H new ATOM 1097 N LEU A 69 -2.394 4.910 5.088 1.00 0.48 N ATOM 1098 CA LEU A 69 -0.977 4.612 5.184 1.00 0.47 C ATOM 1099 C LEU A 69 -0.721 3.113 5.210 1.00 0.53 C ATOM 1100 O LEU A 69 -1.426 2.356 5.878 1.00 0.64 O ATOM 1101 CB LEU A 69 -0.372 5.265 6.430 1.00 0.49 C ATOM 1102 CG LEU A 69 1.137 5.071 6.596 1.00 0.67 C ATOM 1103 CD1 LEU A 69 1.898 5.904 5.576 1.00 0.90 C ATOM 1104 CD2 LEU A 69 1.573 5.429 8.006 1.00 1.00 C ATOM 0 H LEU A 69 -2.943 4.628 5.900 1.00 0.48 H new ATOM 0 HA LEU A 69 -0.497 5.023 4.296 1.00 0.47 H new ATOM 0 HB2 LEU A 69 -0.584 6.334 6.401 1.00 0.49 H new ATOM 0 HB3 LEU A 69 -0.873 4.864 7.311 1.00 0.49 H new ATOM 0 HG LEU A 69 1.366 4.019 6.423 1.00 0.67 H new ATOM 0 HD11 LEU A 69 2.969 5.753 5.709 1.00 0.90 H new ATOM 0 HD12 LEU A 69 1.611 5.598 4.570 1.00 0.90 H new ATOM 0 HD13 LEU A 69 1.660 6.958 5.717 1.00 0.90 H new ATOM 0 HD21 LEU A 69 2.649 5.284 8.102 1.00 1.00 H new ATOM 0 HD22 LEU A 69 1.328 6.472 8.209 1.00 1.00 H new ATOM 0 HD23 LEU A 69 1.055 4.789 8.720 1.00 1.00 H new ATOM 1116 N VAL A 70 0.274 2.699 4.446 1.00 0.53 N ATOM 1117 CA VAL A 70 0.678 1.309 4.380 1.00 0.59 C ATOM 1118 C VAL A 70 2.152 1.207 4.755 1.00 0.57 C ATOM 1119 O VAL A 70 2.996 1.866 4.149 1.00 0.57 O ATOM 1120 CB VAL A 70 0.459 0.719 2.969 1.00 0.65 C ATOM 1121 CG1 VAL A 70 1.032 -0.684 2.879 1.00 1.08 C ATOM 1122 CG2 VAL A 70 -1.017 0.716 2.606 1.00 1.05 C ATOM 0 H VAL A 70 0.825 3.320 3.853 1.00 0.53 H new ATOM 0 HA VAL A 70 0.066 0.737 5.077 1.00 0.59 H new ATOM 0 HB VAL A 70 0.984 1.352 2.254 1.00 0.65 H new ATOM 0 HG11 VAL A 70 0.867 -1.081 1.877 1.00 1.08 H new ATOM 0 HG12 VAL A 70 2.102 -0.654 3.086 1.00 1.08 H new ATOM 0 HG13 VAL A 70 0.539 -1.326 3.609 1.00 1.08 H new ATOM 0 HG21 VAL A 70 -1.145 0.296 1.608 1.00 1.05 H new ATOM 0 HG22 VAL A 70 -1.568 0.113 3.327 1.00 1.05 H new ATOM 0 HG23 VAL A 70 -1.398 1.737 2.622 1.00 1.05 H new ATOM 1132 N LEU A 71 2.458 0.408 5.764 1.00 0.61 N ATOM 1133 CA LEU A 71 3.835 0.250 6.215 1.00 0.63 C ATOM 1134 C LEU A 71 4.564 -0.807 5.396 1.00 0.64 C ATOM 1135 O LEU A 71 4.128 -1.952 5.322 1.00 0.70 O ATOM 1136 CB LEU A 71 3.868 -0.120 7.701 1.00 0.73 C ATOM 1137 CG LEU A 71 3.205 0.895 8.637 1.00 0.86 C ATOM 1138 CD1 LEU A 71 3.237 0.399 10.073 1.00 0.97 C ATOM 1139 CD2 LEU A 71 3.887 2.250 8.527 1.00 0.98 C ATOM 0 H LEU A 71 1.775 -0.141 6.286 1.00 0.61 H new ATOM 0 HA LEU A 71 4.347 1.202 6.073 1.00 0.63 H new ATOM 0 HB2 LEU A 71 3.378 -1.085 7.830 1.00 0.73 H new ATOM 0 HB3 LEU A 71 4.907 -0.247 8.005 1.00 0.73 H new ATOM 0 HG LEU A 71 2.164 1.008 8.335 1.00 0.86 H new ATOM 0 HD11 LEU A 71 2.761 1.134 10.722 1.00 0.97 H new ATOM 0 HD12 LEU A 71 2.701 -0.548 10.143 1.00 0.97 H new ATOM 0 HD13 LEU A 71 4.271 0.255 10.385 1.00 0.97 H new ATOM 0 HD21 LEU A 71 3.402 2.957 9.199 1.00 0.98 H new ATOM 0 HD22 LEU A 71 4.938 2.152 8.800 1.00 0.98 H new ATOM 0 HD23 LEU A 71 3.811 2.613 7.502 1.00 0.98 H new ATOM 1151 N ARG A 72 5.670 -0.417 4.780 1.00 0.88 N ATOM 1152 CA ARG A 72 6.467 -1.332 3.973 1.00 0.97 C ATOM 1153 C ARG A 72 7.933 -1.259 4.382 1.00 1.16 C ATOM 1154 O ARG A 72 8.614 -0.266 4.124 1.00 1.48 O ATOM 1155 CB ARG A 72 6.310 -1.011 2.477 1.00 1.07 C ATOM 1156 CG ARG A 72 7.227 -1.815 1.554 1.00 1.39 C ATOM 1157 CD ARG A 72 7.200 -3.305 1.870 1.00 1.15 C ATOM 1158 NE ARG A 72 7.383 -4.135 0.675 1.00 1.50 N ATOM 1159 CZ ARG A 72 8.387 -4.994 0.507 1.00 1.88 C ATOM 1160 NH1 ARG A 72 9.340 -5.094 1.422 1.00 2.11 N ATOM 1161 NH2 ARG A 72 8.448 -5.750 -0.586 1.00 2.62 N ATOM 0 H ARG A 72 6.039 0.533 4.824 1.00 0.88 H new ATOM 0 HA ARG A 72 6.108 -2.347 4.146 1.00 0.97 H new ATOM 0 HB2 ARG A 72 5.275 -1.192 2.187 1.00 1.07 H new ATOM 0 HB3 ARG A 72 6.503 0.051 2.324 1.00 1.07 H new ATOM 0 HG2 ARG A 72 6.924 -1.660 0.519 1.00 1.39 H new ATOM 0 HG3 ARG A 72 8.248 -1.444 1.646 1.00 1.39 H new ATOM 0 HD2 ARG A 72 7.984 -3.535 2.592 1.00 1.15 H new ATOM 0 HD3 ARG A 72 6.250 -3.556 2.341 1.00 1.15 H new ATOM 0 HE ARG A 72 6.698 -4.049 -0.076 1.00 1.50 H new ATOM 0 HH11 ARG A 72 9.307 -4.512 2.259 1.00 2.11 H new ATOM 0 HH12 ARG A 72 10.107 -5.753 1.289 1.00 2.11 H new ATOM 0 HH21 ARG A 72 7.724 -5.673 -1.300 1.00 2.62 H new ATOM 0 HH22 ARG A 72 9.219 -6.406 -0.710 1.00 2.62 H new ATOM 1233 N MET B 1 -4.733 -24.487 -0.575 1.00 0.61 N ATOM 1234 CA MET B 1 -5.714 -23.794 0.288 1.00 0.57 C ATOM 1235 C MET B 1 -6.217 -22.538 -0.405 1.00 0.53 C ATOM 1236 O MET B 1 -5.554 -22.004 -1.293 1.00 0.56 O ATOM 1237 CB MET B 1 -5.089 -23.435 1.641 1.00 0.59 C ATOM 1238 CG MET B 1 -3.952 -22.428 1.548 1.00 0.58 C ATOM 1239 SD MET B 1 -3.060 -22.234 3.104 1.00 0.63 S ATOM 1240 CE MET B 1 -1.999 -20.848 2.697 1.00 0.64 C ATOM 0 H1 MET B 1 -4.444 -25.379 -0.125 1.00 0.61 H new ATOM 0 H2 MET B 1 -5.165 -24.689 -1.499 1.00 0.61 H new ATOM 0 H3 MET B 1 -3.899 -23.881 -0.708 1.00 0.61 H new ATOM 0 HA MET B 1 -6.554 -24.466 0.466 1.00 0.57 H new ATOM 0 HB2 MET B 1 -5.865 -23.033 2.293 1.00 0.59 H new ATOM 0 HB3 MET B 1 -4.717 -24.345 2.111 1.00 0.59 H new ATOM 0 HG2 MET B 1 -3.255 -22.745 0.772 1.00 0.58 H new ATOM 0 HG3 MET B 1 -4.353 -21.462 1.241 1.00 0.58 H new ATOM 0 HE1 MET B 1 -1.259 -20.712 3.486 1.00 0.64 H new ATOM 0 HE2 MET B 1 -1.491 -21.044 1.753 1.00 0.64 H new ATOM 0 HE3 MET B 1 -2.601 -19.944 2.605 1.00 0.64 H new ATOM 1252 N GLN B 2 -7.380 -22.061 -0.001 1.00 0.59 N ATOM 1253 CA GLN B 2 -7.963 -20.877 -0.601 1.00 0.58 C ATOM 1254 C GLN B 2 -7.813 -19.690 0.337 1.00 0.55 C ATOM 1255 O GLN B 2 -7.950 -19.828 1.554 1.00 0.63 O ATOM 1256 CB GLN B 2 -9.443 -21.124 -0.904 1.00 0.69 C ATOM 1257 CG GLN B 2 -10.047 -20.131 -1.876 1.00 1.50 C ATOM 1258 CD GLN B 2 -11.559 -20.197 -1.895 1.00 1.69 C ATOM 1259 OE1 GLN B 2 -12.234 -19.457 -1.181 1.00 1.60 O ATOM 1260 NE2 GLN B 2 -12.101 -21.101 -2.692 1.00 2.50 N ATOM 0 H GLN B 2 -7.940 -22.477 0.743 1.00 0.59 H new ATOM 0 HA GLN B 2 -7.442 -20.656 -1.533 1.00 0.58 H new ATOM 0 HB2 GLN B 2 -9.557 -22.129 -1.309 1.00 0.69 H new ATOM 0 HB3 GLN B 2 -10.005 -21.091 0.029 1.00 0.69 H new ATOM 0 HG2 GLN B 2 -9.732 -19.123 -1.605 1.00 1.50 H new ATOM 0 HG3 GLN B 2 -9.664 -20.326 -2.878 1.00 1.50 H new ATOM 0 HE21 GLN B 2 -11.505 -21.695 -3.268 1.00 2.50 H new ATOM 0 HE22 GLN B 2 -13.115 -21.204 -2.731 1.00 2.50 H new ATOM 1269 N ILE B 3 -7.509 -18.538 -0.227 1.00 0.50 N ATOM 1270 CA ILE B 3 -7.355 -17.323 0.554 1.00 0.50 C ATOM 1271 C ILE B 3 -8.334 -16.267 0.075 1.00 0.50 C ATOM 1272 O ILE B 3 -8.827 -16.336 -1.052 1.00 0.50 O ATOM 1273 CB ILE B 3 -5.923 -16.755 0.470 1.00 0.50 C ATOM 1274 CG1 ILE B 3 -5.447 -16.726 -0.986 1.00 0.49 C ATOM 1275 CG2 ILE B 3 -4.974 -17.572 1.337 1.00 0.52 C ATOM 1276 CD1 ILE B 3 -4.205 -15.891 -1.207 1.00 0.55 C ATOM 0 H ILE B 3 -7.363 -18.416 -1.229 1.00 0.50 H new ATOM 0 HA ILE B 3 -7.558 -17.583 1.593 1.00 0.50 H new ATOM 0 HB ILE B 3 -5.929 -15.732 0.847 1.00 0.50 H new ATOM 0 HG12 ILE B 3 -5.250 -17.747 -1.314 1.00 0.49 H new ATOM 0 HG13 ILE B 3 -6.250 -16.339 -1.613 1.00 0.49 H new ATOM 0 HG21 ILE B 3 -3.968 -17.158 1.266 1.00 0.52 H new ATOM 0 HG22 ILE B 3 -5.308 -17.538 2.374 1.00 0.52 H new ATOM 0 HG23 ILE B 3 -4.965 -18.606 0.992 1.00 0.52 H new ATOM 0 HD11 ILE B 3 -3.930 -15.920 -2.261 1.00 0.55 H new ATOM 0 HD12 ILE B 3 -4.402 -14.861 -0.911 1.00 0.55 H new ATOM 0 HD13 ILE B 3 -3.387 -16.290 -0.608 1.00 0.55 H new ATOM 1288 N PHE B 4 -8.617 -15.303 0.930 1.00 0.54 N ATOM 1289 CA PHE B 4 -9.532 -14.230 0.590 1.00 0.58 C ATOM 1290 C PHE B 4 -8.759 -12.935 0.447 1.00 0.56 C ATOM 1291 O PHE B 4 -8.267 -12.392 1.430 1.00 0.56 O ATOM 1292 CB PHE B 4 -10.609 -14.075 1.666 1.00 0.65 C ATOM 1293 CG PHE B 4 -11.522 -15.259 1.788 1.00 0.72 C ATOM 1294 CD1 PHE B 4 -12.657 -15.356 0.999 1.00 1.07 C ATOM 1295 CD2 PHE B 4 -11.248 -16.271 2.691 1.00 1.13 C ATOM 1296 CE1 PHE B 4 -13.500 -16.444 1.108 1.00 1.13 C ATOM 1297 CE2 PHE B 4 -12.089 -17.362 2.805 1.00 1.24 C ATOM 1298 CZ PHE B 4 -13.216 -17.448 2.013 1.00 0.96 C ATOM 0 H PHE B 4 -8.224 -15.241 1.869 1.00 0.54 H new ATOM 0 HA PHE B 4 -10.021 -14.472 -0.353 1.00 0.58 H new ATOM 0 HB2 PHE B 4 -10.126 -13.901 2.627 1.00 0.65 H new ATOM 0 HB3 PHE B 4 -11.205 -13.190 1.444 1.00 0.65 H new ATOM 0 HD1 PHE B 4 -12.885 -14.572 0.291 1.00 1.07 H new ATOM 0 HD2 PHE B 4 -10.368 -16.208 3.313 1.00 1.13 H new ATOM 0 HE1 PHE B 4 -14.381 -16.510 0.486 1.00 1.13 H new ATOM 0 HE2 PHE B 4 -11.864 -18.146 3.513 1.00 1.24 H new ATOM 0 HZ PHE B 4 -13.875 -18.299 2.101 1.00 0.96 H new ATOM 1308 N VAL B 5 -8.645 -12.443 -0.770 1.00 0.54 N ATOM 1309 CA VAL B 5 -7.921 -11.213 -1.021 1.00 0.54 C ATOM 1310 C VAL B 5 -8.912 -10.087 -1.280 1.00 0.55 C ATOM 1311 O VAL B 5 -9.496 -10.000 -2.358 1.00 0.55 O ATOM 1312 CB VAL B 5 -6.964 -11.341 -2.226 1.00 0.54 C ATOM 1313 CG1 VAL B 5 -5.975 -10.188 -2.249 1.00 0.55 C ATOM 1314 CG2 VAL B 5 -6.231 -12.674 -2.200 1.00 0.57 C ATOM 0 H VAL B 5 -9.045 -12.877 -1.602 1.00 0.54 H new ATOM 0 HA VAL B 5 -7.319 -10.995 -0.139 1.00 0.54 H new ATOM 0 HB VAL B 5 -7.561 -11.301 -3.137 1.00 0.54 H new ATOM 0 HG11 VAL B 5 -5.310 -10.296 -3.105 1.00 0.55 H new ATOM 0 HG12 VAL B 5 -6.517 -9.245 -2.328 1.00 0.55 H new ATOM 0 HG13 VAL B 5 -5.388 -10.194 -1.331 1.00 0.55 H new ATOM 0 HG21 VAL B 5 -5.563 -12.739 -3.059 1.00 0.57 H new ATOM 0 HG22 VAL B 5 -5.649 -12.751 -1.282 1.00 0.57 H new ATOM 0 HG23 VAL B 5 -6.955 -13.488 -2.240 1.00 0.57 H new ATOM 1324 N LYS B 6 -9.119 -9.248 -0.283 1.00 0.57 N ATOM 1325 CA LYS B 6 -10.058 -8.148 -0.410 1.00 0.59 C ATOM 1326 C LYS B 6 -9.328 -6.837 -0.654 1.00 0.77 C ATOM 1327 O LYS B 6 -8.410 -6.471 0.084 1.00 0.89 O ATOM 1328 CB LYS B 6 -10.936 -8.053 0.840 1.00 0.59 C ATOM 1329 CG LYS B 6 -11.862 -9.248 1.017 1.00 0.89 C ATOM 1330 CD LYS B 6 -12.757 -9.098 2.236 1.00 1.36 C ATOM 1331 CE LYS B 6 -13.712 -10.278 2.378 1.00 1.66 C ATOM 1332 NZ LYS B 6 -14.879 -10.180 1.454 1.00 2.10 N ATOM 0 H LYS B 6 -8.651 -9.306 0.622 1.00 0.57 H new ATOM 0 HA LYS B 6 -10.698 -8.341 -1.271 1.00 0.59 H new ATOM 0 HB2 LYS B 6 -10.297 -7.964 1.719 1.00 0.59 H new ATOM 0 HB3 LYS B 6 -11.534 -7.143 0.787 1.00 0.59 H new ATOM 0 HG2 LYS B 6 -12.479 -9.364 0.126 1.00 0.89 H new ATOM 0 HG3 LYS B 6 -11.267 -10.156 1.113 1.00 0.89 H new ATOM 0 HD2 LYS B 6 -12.142 -9.017 3.132 1.00 1.36 H new ATOM 0 HD3 LYS B 6 -13.329 -8.173 2.157 1.00 1.36 H new ATOM 0 HE2 LYS B 6 -13.172 -11.204 2.180 1.00 1.66 H new ATOM 0 HE3 LYS B 6 -14.070 -10.331 3.406 1.00 1.66 H new ATOM 0 HZ1 LYS B 6 -15.481 -11.021 1.564 1.00 2.10 H new ATOM 0 HZ2 LYS B 6 -15.430 -9.328 1.680 1.00 2.10 H new ATOM 0 HZ3 LYS B 6 -14.541 -10.123 0.472 1.00 2.10 H new ATOM 1346 N THR B 7 -9.738 -6.140 -1.697 1.00 0.98 N ATOM 1347 CA THR B 7 -9.133 -4.873 -2.055 1.00 1.24 C ATOM 1348 C THR B 7 -9.706 -3.748 -1.206 1.00 1.28 C ATOM 1349 O THR B 7 -10.770 -3.895 -0.600 1.00 1.19 O ATOM 1350 CB THR B 7 -9.366 -4.550 -3.542 1.00 1.42 C ATOM 1351 OG1 THR B 7 -10.755 -4.697 -3.866 1.00 2.41 O ATOM 1352 CG2 THR B 7 -8.536 -5.458 -4.438 1.00 1.57 C ATOM 0 H THR B 7 -10.494 -6.434 -2.315 1.00 0.98 H new ATOM 0 HA THR B 7 -8.062 -4.958 -1.873 1.00 1.24 H new ATOM 0 HB THR B 7 -9.057 -3.519 -3.714 1.00 1.42 H new ATOM 0 HG1 THR B 7 -10.894 -4.488 -4.813 1.00 2.41 H new ATOM 0 HG21 THR B 7 -8.721 -5.207 -5.482 1.00 1.57 H new ATOM 0 HG22 THR B 7 -7.478 -5.322 -4.214 1.00 1.57 H new ATOM 0 HG23 THR B 7 -8.814 -6.497 -4.260 1.00 1.57 H new ATOM 1360 N LEU B 8 -8.998 -2.628 -1.149 1.00 1.48 N ATOM 1361 CA LEU B 8 -9.469 -1.480 -0.386 1.00 1.61 C ATOM 1362 C LEU B 8 -10.574 -0.766 -1.155 1.00 1.52 C ATOM 1363 O LEU B 8 -11.302 0.062 -0.604 1.00 1.55 O ATOM 1364 CB LEU B 8 -8.323 -0.509 -0.085 1.00 1.99 C ATOM 1365 CG LEU B 8 -7.174 -1.078 0.753 1.00 2.60 C ATOM 1366 CD1 LEU B 8 -6.252 0.038 1.213 1.00 2.87 C ATOM 1367 CD2 LEU B 8 -7.700 -1.858 1.951 1.00 3.45 C ATOM 0 H LEU B 8 -8.103 -2.490 -1.618 1.00 1.48 H new ATOM 0 HA LEU B 8 -9.865 -1.839 0.564 1.00 1.61 H new ATOM 0 HB2 LEU B 8 -7.916 -0.151 -1.031 1.00 1.99 H new ATOM 0 HB3 LEU B 8 -8.732 0.358 0.434 1.00 1.99 H new ATOM 0 HG LEU B 8 -6.608 -1.766 0.125 1.00 2.60 H new ATOM 0 HD11 LEU B 8 -5.441 -0.382 1.807 1.00 2.87 H new ATOM 0 HD12 LEU B 8 -5.838 0.549 0.344 1.00 2.87 H new ATOM 0 HD13 LEU B 8 -6.815 0.749 1.818 1.00 2.87 H new ATOM 0 HD21 LEU B 8 -6.861 -2.250 2.527 1.00 3.45 H new ATOM 0 HD22 LEU B 8 -8.296 -1.198 2.581 1.00 3.45 H new ATOM 0 HD23 LEU B 8 -8.319 -2.685 1.603 1.00 3.45 H new ATOM 1379 N THR B 9 -10.688 -1.101 -2.433 1.00 1.49 N ATOM 1380 CA THR B 9 -11.693 -0.517 -3.298 1.00 1.52 C ATOM 1381 C THR B 9 -13.064 -1.129 -3.023 1.00 1.33 C ATOM 1382 O THR B 9 -14.033 -0.409 -2.778 1.00 1.63 O ATOM 1383 CB THR B 9 -11.310 -0.723 -4.772 1.00 1.73 C ATOM 1384 OG1 THR B 9 -10.273 -1.714 -4.862 1.00 1.99 O ATOM 1385 CG2 THR B 9 -10.828 0.577 -5.392 1.00 1.90 C ATOM 0 H THR B 9 -10.086 -1.783 -2.894 1.00 1.49 H new ATOM 0 HA THR B 9 -11.744 0.552 -3.091 1.00 1.52 H new ATOM 0 HB THR B 9 -12.192 -1.059 -5.317 1.00 1.73 H new ATOM 0 HG1 THR B 9 -10.029 -1.848 -5.802 1.00 1.99 H new ATOM 0 HG21 THR B 9 -10.563 0.406 -6.435 1.00 1.90 H new ATOM 0 HG22 THR B 9 -11.621 1.323 -5.337 1.00 1.90 H new ATOM 0 HG23 THR B 9 -9.954 0.937 -4.850 1.00 1.90 H new ATOM 1393 N GLY B 10 -13.141 -2.458 -3.055 1.00 0.95 N ATOM 1394 CA GLY B 10 -14.401 -3.129 -2.793 1.00 0.85 C ATOM 1395 C GLY B 10 -14.598 -4.379 -3.628 1.00 0.94 C ATOM 1396 O GLY B 10 -15.602 -4.510 -4.327 1.00 1.62 O ATOM 0 H GLY B 10 -12.357 -3.078 -3.257 1.00 0.95 H new ATOM 0 HA2 GLY B 10 -14.451 -3.394 -1.737 1.00 0.85 H new ATOM 0 HA3 GLY B 10 -15.221 -2.437 -2.987 1.00 0.85 H new ATOM 1400 N LYS B 11 -13.649 -5.301 -3.556 1.00 0.95 N ATOM 1401 CA LYS B 11 -13.736 -6.544 -4.307 1.00 0.97 C ATOM 1402 C LYS B 11 -12.996 -7.651 -3.562 1.00 0.86 C ATOM 1403 O LYS B 11 -12.066 -7.380 -2.802 1.00 0.85 O ATOM 1404 CB LYS B 11 -13.150 -6.358 -5.713 1.00 1.16 C ATOM 1405 CG LYS B 11 -13.794 -7.237 -6.780 1.00 1.35 C ATOM 1406 CD LYS B 11 -13.021 -8.530 -6.986 1.00 1.35 C ATOM 1407 CE LYS B 11 -13.788 -9.504 -7.868 1.00 1.46 C ATOM 1408 NZ LYS B 11 -13.139 -10.841 -7.915 1.00 1.62 N ATOM 0 H LYS B 11 -12.809 -5.211 -2.984 1.00 0.95 H new ATOM 0 HA LYS B 11 -14.784 -6.827 -4.407 1.00 0.97 H new ATOM 0 HB2 LYS B 11 -13.259 -5.313 -6.005 1.00 1.16 H new ATOM 0 HB3 LYS B 11 -12.081 -6.570 -5.680 1.00 1.16 H new ATOM 0 HG2 LYS B 11 -14.819 -7.468 -6.491 1.00 1.35 H new ATOM 0 HG3 LYS B 11 -13.844 -6.689 -7.721 1.00 1.35 H new ATOM 0 HD2 LYS B 11 -12.055 -8.309 -7.440 1.00 1.35 H new ATOM 0 HD3 LYS B 11 -12.820 -8.993 -6.020 1.00 1.35 H new ATOM 0 HE2 LYS B 11 -14.806 -9.608 -7.493 1.00 1.46 H new ATOM 0 HE3 LYS B 11 -13.860 -9.100 -8.878 1.00 1.46 H new ATOM 0 HZ1 LYS B 11 -13.744 -11.502 -8.442 1.00 1.62 H new ATOM 0 HZ2 LYS B 11 -12.217 -10.763 -8.389 1.00 1.62 H new ATOM 0 HZ3 LYS B 11 -13.001 -11.194 -6.947 1.00 1.62 H new ATOM 1422 N THR B 12 -13.415 -8.892 -3.770 1.00 0.80 N ATOM 1423 CA THR B 12 -12.783 -10.026 -3.116 1.00 0.72 C ATOM 1424 C THR B 12 -12.303 -11.046 -4.146 1.00 0.71 C ATOM 1425 O THR B 12 -13.043 -11.430 -5.055 1.00 0.85 O ATOM 1426 CB THR B 12 -13.743 -10.714 -2.124 1.00 0.76 C ATOM 1427 OG1 THR B 12 -14.271 -9.748 -1.205 1.00 0.93 O ATOM 1428 CG2 THR B 12 -13.029 -11.813 -1.351 1.00 0.69 C ATOM 0 H THR B 12 -14.190 -9.137 -4.387 1.00 0.80 H new ATOM 0 HA THR B 12 -11.927 -9.641 -2.561 1.00 0.72 H new ATOM 0 HB THR B 12 -14.558 -11.161 -2.693 1.00 0.76 H new ATOM 0 HG1 THR B 12 -15.250 -9.788 -1.215 1.00 0.93 H new ATOM 0 HG21 THR B 12 -13.727 -12.283 -0.658 1.00 0.69 H new ATOM 0 HG22 THR B 12 -12.650 -12.561 -2.048 1.00 0.69 H new ATOM 0 HG23 THR B 12 -12.197 -11.384 -0.793 1.00 0.69 H new ATOM 1436 N ILE B 13 -11.050 -11.442 -4.021 1.00 0.60 N ATOM 1437 CA ILE B 13 -10.459 -12.422 -4.915 1.00 0.59 C ATOM 1438 C ILE B 13 -10.130 -13.699 -4.146 1.00 0.56 C ATOM 1439 O ILE B 13 -9.576 -13.639 -3.049 1.00 0.55 O ATOM 1440 CB ILE B 13 -9.175 -11.875 -5.574 1.00 0.60 C ATOM 1441 CG1 ILE B 13 -9.415 -10.460 -6.109 1.00 0.65 C ATOM 1442 CG2 ILE B 13 -8.716 -12.795 -6.698 1.00 0.65 C ATOM 1443 CD1 ILE B 13 -8.149 -9.646 -6.270 1.00 0.70 C ATOM 0 H ILE B 13 -10.416 -11.096 -3.301 1.00 0.60 H new ATOM 0 HA ILE B 13 -11.184 -12.640 -5.699 1.00 0.59 H new ATOM 0 HB ILE B 13 -8.389 -11.836 -4.819 1.00 0.60 H new ATOM 0 HG12 ILE B 13 -9.918 -10.527 -7.074 1.00 0.65 H new ATOM 0 HG13 ILE B 13 -10.090 -9.935 -5.433 1.00 0.65 H new ATOM 0 HG21 ILE B 13 -7.810 -12.393 -7.150 1.00 0.65 H new ATOM 0 HG22 ILE B 13 -8.511 -13.787 -6.295 1.00 0.65 H new ATOM 0 HG23 ILE B 13 -9.498 -12.865 -7.454 1.00 0.65 H new ATOM 0 HD11 ILE B 13 -8.399 -8.656 -6.653 1.00 0.70 H new ATOM 0 HD12 ILE B 13 -7.655 -9.547 -5.304 1.00 0.70 H new ATOM 0 HD13 ILE B 13 -7.481 -10.147 -6.970 1.00 0.70 H new ATOM 1455 N THR B 14 -10.488 -14.841 -4.712 1.00 0.57 N ATOM 1456 CA THR B 14 -10.224 -16.123 -4.079 1.00 0.57 C ATOM 1457 C THR B 14 -9.417 -17.012 -5.016 1.00 0.55 C ATOM 1458 O THR B 14 -9.814 -17.235 -6.161 1.00 0.64 O ATOM 1459 CB THR B 14 -11.533 -16.835 -3.686 1.00 0.69 C ATOM 1460 OG1 THR B 14 -12.522 -16.655 -4.711 1.00 0.92 O ATOM 1461 CG2 THR B 14 -12.065 -16.299 -2.367 1.00 1.13 C ATOM 0 H THR B 14 -10.964 -14.906 -5.612 1.00 0.57 H new ATOM 0 HA THR B 14 -9.652 -15.936 -3.170 1.00 0.57 H new ATOM 0 HB THR B 14 -11.319 -17.898 -3.572 1.00 0.69 H new ATOM 0 HG1 THR B 14 -13.349 -17.113 -4.452 1.00 0.92 H new ATOM 0 HG21 THR B 14 -12.989 -16.817 -2.110 1.00 1.13 H new ATOM 0 HG22 THR B 14 -11.326 -16.465 -1.583 1.00 1.13 H new ATOM 0 HG23 THR B 14 -12.261 -15.231 -2.461 1.00 1.13 H new ATOM 1469 N LEU B 15 -8.271 -17.492 -4.549 1.00 0.50 N ATOM 1470 CA LEU B 15 -7.417 -18.342 -5.370 1.00 0.54 C ATOM 1471 C LEU B 15 -6.831 -19.485 -4.560 1.00 0.53 C ATOM 1472 O LEU B 15 -6.858 -19.468 -3.326 1.00 0.54 O ATOM 1473 CB LEU B 15 -6.272 -17.531 -5.985 1.00 0.60 C ATOM 1474 CG LEU B 15 -6.629 -16.107 -6.409 1.00 0.78 C ATOM 1475 CD1 LEU B 15 -6.061 -15.099 -5.421 1.00 1.42 C ATOM 1476 CD2 LEU B 15 -6.122 -15.832 -7.815 1.00 0.72 C ATOM 0 H LEU B 15 -7.913 -17.309 -3.612 1.00 0.50 H new ATOM 0 HA LEU B 15 -8.042 -18.752 -6.163 1.00 0.54 H new ATOM 0 HB2 LEU B 15 -5.456 -17.483 -5.264 1.00 0.60 H new ATOM 0 HB3 LEU B 15 -5.897 -18.068 -6.856 1.00 0.60 H new ATOM 0 HG LEU B 15 -7.714 -16.005 -6.411 1.00 0.78 H new ATOM 0 HD11 LEU B 15 -6.325 -14.090 -5.738 1.00 1.42 H new ATOM 0 HD12 LEU B 15 -6.475 -15.288 -4.430 1.00 1.42 H new ATOM 0 HD13 LEU B 15 -4.976 -15.196 -5.385 1.00 1.42 H new ATOM 0 HD21 LEU B 15 -6.384 -14.814 -8.103 1.00 0.72 H new ATOM 0 HD22 LEU B 15 -5.039 -15.949 -7.841 1.00 0.72 H new ATOM 0 HD23 LEU B 15 -6.580 -16.535 -8.511 1.00 0.72 H new ATOM 1488 N GLU B 16 -6.300 -20.474 -5.269 1.00 0.55 N ATOM 1489 CA GLU B 16 -5.683 -21.626 -4.640 1.00 0.55 C ATOM 1490 C GLU B 16 -4.185 -21.398 -4.483 1.00 0.53 C ATOM 1491 O GLU B 16 -3.438 -21.327 -5.464 1.00 0.54 O ATOM 1492 CB GLU B 16 -5.940 -22.891 -5.461 1.00 0.62 C ATOM 1493 CG GLU B 16 -7.141 -23.694 -4.990 1.00 1.06 C ATOM 1494 CD GLU B 16 -7.019 -24.149 -3.548 1.00 1.22 C ATOM 1495 OE1 GLU B 16 -5.908 -24.557 -3.134 1.00 1.68 O ATOM 1496 OE2 GLU B 16 -8.037 -24.114 -2.826 1.00 1.71 O ATOM 0 H GLU B 16 -6.287 -20.497 -6.289 1.00 0.55 H new ATOM 0 HA GLU B 16 -6.127 -21.759 -3.653 1.00 0.55 H new ATOM 0 HB2 GLU B 16 -6.088 -22.612 -6.504 1.00 0.62 H new ATOM 0 HB3 GLU B 16 -5.054 -23.524 -5.423 1.00 0.62 H new ATOM 0 HG2 GLU B 16 -8.041 -23.090 -5.100 1.00 1.06 H new ATOM 0 HG3 GLU B 16 -7.263 -24.567 -5.632 1.00 1.06 H new ATOM 1503 N VAL B 17 -3.758 -21.271 -3.244 1.00 0.54 N ATOM 1504 CA VAL B 17 -2.358 -21.046 -2.936 1.00 0.54 C ATOM 1505 C VAL B 17 -1.858 -22.074 -1.935 1.00 0.56 C ATOM 1506 O VAL B 17 -2.648 -22.695 -1.218 1.00 0.57 O ATOM 1507 CB VAL B 17 -2.118 -19.632 -2.365 1.00 0.57 C ATOM 1508 CG1 VAL B 17 -2.430 -18.566 -3.406 1.00 0.62 C ATOM 1509 CG2 VAL B 17 -2.943 -19.414 -1.105 1.00 0.58 C ATOM 0 H VAL B 17 -4.365 -21.320 -2.426 1.00 0.54 H new ATOM 0 HA VAL B 17 -1.807 -21.143 -3.872 1.00 0.54 H new ATOM 0 HB VAL B 17 -1.064 -19.547 -2.101 1.00 0.57 H new ATOM 0 HG11 VAL B 17 -2.253 -17.578 -2.980 1.00 0.62 H new ATOM 0 HG12 VAL B 17 -1.787 -18.707 -4.275 1.00 0.62 H new ATOM 0 HG13 VAL B 17 -3.474 -18.649 -3.710 1.00 0.62 H new ATOM 0 HG21 VAL B 17 -2.759 -18.411 -0.719 1.00 0.58 H new ATOM 0 HG22 VAL B 17 -4.002 -19.524 -1.340 1.00 0.58 H new ATOM 0 HG23 VAL B 17 -2.660 -20.150 -0.353 1.00 0.58 H new ATOM 1519 N GLU B 18 -0.556 -22.275 -1.911 1.00 0.59 N ATOM 1520 CA GLU B 18 0.053 -23.206 -0.983 1.00 0.65 C ATOM 1521 C GLU B 18 0.588 -22.435 0.216 1.00 0.68 C ATOM 1522 O GLU B 18 0.891 -21.251 0.095 1.00 0.70 O ATOM 1523 CB GLU B 18 1.186 -23.962 -1.675 1.00 0.73 C ATOM 1524 CG GLU B 18 0.742 -24.715 -2.916 1.00 1.05 C ATOM 1525 CD GLU B 18 1.891 -24.999 -3.853 1.00 1.91 C ATOM 1526 OE1 GLU B 18 2.710 -25.886 -3.540 1.00 2.32 O ATOM 1527 OE2 GLU B 18 1.986 -24.332 -4.905 1.00 2.71 O ATOM 0 H GLU B 18 0.105 -21.802 -2.528 1.00 0.59 H new ATOM 0 HA GLU B 18 -0.690 -23.928 -0.645 1.00 0.65 H new ATOM 0 HB2 GLU B 18 1.969 -23.255 -1.949 1.00 0.73 H new ATOM 0 HB3 GLU B 18 1.626 -24.667 -0.970 1.00 0.73 H new ATOM 0 HG2 GLU B 18 0.275 -25.655 -2.621 1.00 1.05 H new ATOM 0 HG3 GLU B 18 -0.016 -24.133 -3.440 1.00 1.05 H new ATOM 1534 N PRO B 19 0.711 -23.078 1.385 1.00 0.79 N ATOM 1535 CA PRO B 19 1.219 -22.416 2.591 1.00 0.90 C ATOM 1536 C PRO B 19 2.599 -21.803 2.376 1.00 0.88 C ATOM 1537 O PRO B 19 2.920 -20.759 2.938 1.00 0.99 O ATOM 1538 CB PRO B 19 1.293 -23.546 3.622 1.00 1.03 C ATOM 1539 CG PRO B 19 0.317 -24.562 3.139 1.00 1.09 C ATOM 1540 CD PRO B 19 0.353 -24.484 1.637 1.00 0.88 C ATOM 0 HA PRO B 19 0.580 -21.587 2.896 1.00 0.90 H new ATOM 0 HB2 PRO B 19 2.299 -23.961 3.683 1.00 1.03 H new ATOM 0 HB3 PRO B 19 1.034 -23.190 4.619 1.00 1.03 H new ATOM 0 HG2 PRO B 19 0.587 -25.560 3.485 1.00 1.09 H new ATOM 0 HG3 PRO B 19 -0.684 -24.354 3.517 1.00 1.09 H new ATOM 0 HD2 PRO B 19 1.088 -25.169 1.215 1.00 0.88 H new ATOM 0 HD3 PRO B 19 -0.611 -24.740 1.197 1.00 0.88 H new ATOM 1548 N SER B 20 3.392 -22.435 1.522 1.00 0.82 N ATOM 1549 CA SER B 20 4.740 -21.970 1.244 1.00 0.88 C ATOM 1550 C SER B 20 4.815 -21.165 -0.055 1.00 0.86 C ATOM 1551 O SER B 20 5.901 -20.987 -0.611 1.00 0.90 O ATOM 1552 CB SER B 20 5.676 -23.171 1.163 1.00 0.92 C ATOM 1553 OG SER B 20 5.081 -24.317 1.753 1.00 0.87 O ATOM 0 H SER B 20 3.122 -23.274 1.009 1.00 0.82 H new ATOM 0 HA SER B 20 5.042 -21.307 2.055 1.00 0.88 H new ATOM 0 HB2 SER B 20 5.919 -23.378 0.121 1.00 0.92 H new ATOM 0 HB3 SER B 20 6.614 -22.941 1.669 1.00 0.92 H new ATOM 0 HG SER B 20 5.698 -25.076 1.688 1.00 0.87 H new ATOM 1559 N ASP B 21 3.671 -20.692 -0.546 1.00 0.81 N ATOM 1560 CA ASP B 21 3.638 -19.899 -1.776 1.00 0.80 C ATOM 1561 C ASP B 21 4.344 -18.565 -1.564 1.00 0.82 C ATOM 1562 O ASP B 21 4.538 -18.135 -0.425 1.00 0.83 O ATOM 1563 CB ASP B 21 2.190 -19.652 -2.216 1.00 0.75 C ATOM 1564 CG ASP B 21 1.917 -20.133 -3.625 1.00 0.91 C ATOM 1565 OD1 ASP B 21 2.755 -19.880 -4.515 1.00 1.10 O ATOM 1566 OD2 ASP B 21 0.860 -20.764 -3.849 1.00 1.08 O ATOM 0 H ASP B 21 2.759 -20.842 -0.115 1.00 0.81 H new ATOM 0 HA ASP B 21 4.155 -20.457 -2.557 1.00 0.80 H new ATOM 0 HB2 ASP B 21 1.514 -20.158 -1.527 1.00 0.75 H new ATOM 0 HB3 ASP B 21 1.972 -18.586 -2.152 1.00 0.75 H new ATOM 1571 N THR B 22 4.698 -17.893 -2.647 1.00 0.85 N ATOM 1572 CA THR B 22 5.390 -16.618 -2.548 1.00 0.89 C ATOM 1573 C THR B 22 4.416 -15.466 -2.749 1.00 0.79 C ATOM 1574 O THR B 22 3.448 -15.592 -3.500 1.00 0.73 O ATOM 1575 CB THR B 22 6.526 -16.511 -3.582 1.00 1.01 C ATOM 1576 OG1 THR B 22 6.325 -17.468 -4.630 1.00 1.11 O ATOM 1577 CG2 THR B 22 7.881 -16.736 -2.927 1.00 1.20 C ATOM 0 H THR B 22 4.519 -18.207 -3.601 1.00 0.85 H new ATOM 0 HA THR B 22 5.823 -16.560 -1.549 1.00 0.89 H new ATOM 0 HB THR B 22 6.512 -15.506 -4.003 1.00 1.01 H new ATOM 0 HG1 THR B 22 7.050 -17.393 -5.285 1.00 1.11 H new ATOM 0 HG21 THR B 22 8.666 -16.655 -3.679 1.00 1.20 H new ATOM 0 HG22 THR B 22 8.040 -15.985 -2.153 1.00 1.20 H new ATOM 0 HG23 THR B 22 7.908 -17.729 -2.479 1.00 1.20 H new ATOM 1585 N ILE B 23 4.676 -14.347 -2.081 1.00 0.80 N ATOM 1586 CA ILE B 23 3.820 -13.167 -2.188 1.00 0.73 C ATOM 1587 C ILE B 23 3.687 -12.721 -3.644 1.00 0.72 C ATOM 1588 O ILE B 23 2.600 -12.362 -4.103 1.00 0.66 O ATOM 1589 CB ILE B 23 4.376 -11.998 -1.342 1.00 0.78 C ATOM 1590 CG1 ILE B 23 4.510 -12.409 0.130 1.00 0.87 C ATOM 1591 CG2 ILE B 23 3.492 -10.763 -1.472 1.00 0.70 C ATOM 1592 CD1 ILE B 23 3.199 -12.784 0.788 1.00 0.80 C ATOM 0 H ILE B 23 5.475 -14.231 -1.457 1.00 0.80 H new ATOM 0 HA ILE B 23 2.837 -13.443 -1.807 1.00 0.73 H new ATOM 0 HB ILE B 23 5.367 -11.750 -1.722 1.00 0.78 H new ATOM 0 HG12 ILE B 23 5.194 -13.255 0.199 1.00 0.87 H new ATOM 0 HG13 ILE B 23 4.962 -11.587 0.686 1.00 0.87 H new ATOM 0 HG21 ILE B 23 3.904 -9.955 -0.868 1.00 0.70 H new ATOM 0 HG22 ILE B 23 3.453 -10.452 -2.516 1.00 0.70 H new ATOM 0 HG23 ILE B 23 2.486 -10.998 -1.126 1.00 0.70 H new ATOM 0 HD11 ILE B 23 3.379 -13.062 1.826 1.00 0.80 H new ATOM 0 HD12 ILE B 23 2.518 -11.934 0.753 1.00 0.80 H new ATOM 0 HD13 ILE B 23 2.754 -13.627 0.259 1.00 0.80 H new ATOM 1604 N GLU B 24 4.796 -12.769 -4.369 1.00 0.80 N ATOM 1605 CA GLU B 24 4.813 -12.369 -5.768 1.00 0.84 C ATOM 1606 C GLU B 24 4.057 -13.377 -6.639 1.00 0.80 C ATOM 1607 O GLU B 24 3.404 -12.998 -7.610 1.00 0.80 O ATOM 1608 CB GLU B 24 6.259 -12.230 -6.247 1.00 0.98 C ATOM 1609 CG GLU B 24 6.400 -11.550 -7.599 1.00 1.20 C ATOM 1610 CD GLU B 24 5.774 -10.170 -7.643 1.00 2.26 C ATOM 1611 OE1 GLU B 24 5.696 -9.508 -6.584 1.00 3.05 O ATOM 1612 OE2 GLU B 24 5.373 -9.730 -8.741 1.00 2.73 O ATOM 0 H GLU B 24 5.698 -13.082 -4.010 1.00 0.80 H new ATOM 0 HA GLU B 24 4.310 -11.406 -5.859 1.00 0.84 H new ATOM 0 HB2 GLU B 24 6.823 -11.663 -5.506 1.00 0.98 H new ATOM 0 HB3 GLU B 24 6.710 -13.221 -6.301 1.00 0.98 H new ATOM 0 HG2 GLU B 24 7.458 -11.470 -7.849 1.00 1.20 H new ATOM 0 HG3 GLU B 24 5.938 -12.176 -8.363 1.00 1.20 H new ATOM 1619 N ASN B 25 4.121 -14.654 -6.272 1.00 0.80 N ATOM 1620 CA ASN B 25 3.444 -15.700 -7.038 1.00 0.79 C ATOM 1621 C ASN B 25 1.933 -15.557 -6.922 1.00 0.71 C ATOM 1622 O ASN B 25 1.197 -15.855 -7.861 1.00 0.72 O ATOM 1623 CB ASN B 25 3.867 -17.094 -6.571 1.00 0.80 C ATOM 1624 CG ASN B 25 3.497 -18.175 -7.574 1.00 0.84 C ATOM 1625 OD1 ASN B 25 3.497 -17.944 -8.784 1.00 1.06 O ATOM 1626 ND2 ASN B 25 3.162 -19.356 -7.083 1.00 1.12 N ATOM 0 H ASN B 25 4.631 -14.990 -5.455 1.00 0.80 H new ATOM 0 HA ASN B 25 3.736 -15.582 -8.082 1.00 0.79 H new ATOM 0 HB2 ASN B 25 4.944 -17.108 -6.406 1.00 0.80 H new ATOM 0 HB3 ASN B 25 3.395 -17.313 -5.613 1.00 0.80 H new ATOM 0 HD21 ASN B 25 2.892 -20.112 -7.712 1.00 1.12 H new ATOM 0 HD22 ASN B 25 3.174 -19.511 -6.075 1.00 1.12 H new ATOM 1633 N VAL B 26 1.474 -15.098 -5.763 1.00 0.67 N ATOM 1634 CA VAL B 26 0.048 -14.901 -5.531 1.00 0.60 C ATOM 1635 C VAL B 26 -0.512 -13.905 -6.543 1.00 0.58 C ATOM 1636 O VAL B 26 -1.573 -14.128 -7.127 1.00 0.58 O ATOM 1637 CB VAL B 26 -0.236 -14.402 -4.096 1.00 0.58 C ATOM 1638 CG1 VAL B 26 -1.724 -14.146 -3.890 1.00 0.53 C ATOM 1639 CG2 VAL B 26 0.278 -15.402 -3.071 1.00 0.62 C ATOM 0 H VAL B 26 2.068 -14.856 -4.970 1.00 0.67 H new ATOM 0 HA VAL B 26 -0.443 -15.866 -5.653 1.00 0.60 H new ATOM 0 HB VAL B 26 0.292 -13.459 -3.957 1.00 0.58 H new ATOM 0 HG11 VAL B 26 -1.895 -13.796 -2.872 1.00 0.53 H new ATOM 0 HG12 VAL B 26 -2.064 -13.389 -4.596 1.00 0.53 H new ATOM 0 HG13 VAL B 26 -2.278 -15.070 -4.054 1.00 0.53 H new ATOM 0 HG21 VAL B 26 0.069 -15.034 -2.067 1.00 0.62 H new ATOM 0 HG22 VAL B 26 -0.220 -16.361 -3.217 1.00 0.62 H new ATOM 0 HG23 VAL B 26 1.354 -15.529 -3.194 1.00 0.62 H new ATOM 1649 N LYS B 27 0.233 -12.829 -6.775 1.00 0.60 N ATOM 1650 CA LYS B 27 -0.178 -11.796 -7.720 1.00 0.60 C ATOM 1651 C LYS B 27 -0.212 -12.347 -9.139 1.00 0.62 C ATOM 1652 O LYS B 27 -1.019 -11.919 -9.966 1.00 0.61 O ATOM 1653 CB LYS B 27 0.781 -10.611 -7.672 1.00 0.64 C ATOM 1654 CG LYS B 27 1.076 -10.099 -6.278 1.00 0.59 C ATOM 1655 CD LYS B 27 2.145 -9.025 -6.321 1.00 0.66 C ATOM 1656 CE LYS B 27 2.809 -8.840 -4.971 1.00 0.96 C ATOM 1657 NZ LYS B 27 4.045 -8.032 -5.086 1.00 0.99 N ATOM 0 H LYS B 27 1.128 -12.649 -6.320 1.00 0.60 H new ATOM 0 HA LYS B 27 -1.177 -11.466 -7.436 1.00 0.60 H new ATOM 0 HB2 LYS B 27 1.719 -10.900 -8.146 1.00 0.64 H new ATOM 0 HB3 LYS B 27 0.363 -9.797 -8.264 1.00 0.64 H new ATOM 0 HG2 LYS B 27 0.166 -9.697 -5.832 1.00 0.59 H new ATOM 0 HG3 LYS B 27 1.405 -10.922 -5.644 1.00 0.59 H new ATOM 0 HD2 LYS B 27 2.898 -9.290 -7.063 1.00 0.66 H new ATOM 0 HD3 LYS B 27 1.701 -8.082 -6.640 1.00 0.66 H new ATOM 0 HE2 LYS B 27 2.115 -8.352 -4.286 1.00 0.96 H new ATOM 0 HE3 LYS B 27 3.047 -9.814 -4.544 1.00 0.96 H new ATOM 0 HZ1 LYS B 27 4.225 -7.543 -4.186 1.00 0.99 H new ATOM 0 HZ2 LYS B 27 4.848 -8.655 -5.308 1.00 0.99 H new ATOM 0 HZ3 LYS B 27 3.932 -7.330 -5.845 1.00 0.99 H new ATOM 1671 N ALA B 28 0.663 -13.308 -9.410 1.00 0.67 N ATOM 1672 CA ALA B 28 0.742 -13.922 -10.726 1.00 0.73 C ATOM 1673 C ALA B 28 -0.505 -14.755 -10.985 1.00 0.71 C ATOM 1674 O ALA B 28 -1.008 -14.814 -12.110 1.00 0.74 O ATOM 1675 CB ALA B 28 1.992 -14.778 -10.837 1.00 0.81 C ATOM 0 H ALA B 28 1.329 -13.679 -8.732 1.00 0.67 H new ATOM 0 HA ALA B 28 0.800 -13.137 -11.480 1.00 0.73 H new ATOM 0 HB1 ALA B 28 2.036 -15.230 -11.828 1.00 0.81 H new ATOM 0 HB2 ALA B 28 2.874 -14.156 -10.682 1.00 0.81 H new ATOM 0 HB3 ALA B 28 1.964 -15.563 -10.081 1.00 0.81 H new ATOM 1681 N LYS B 29 -1.009 -15.382 -9.928 1.00 0.68 N ATOM 1682 CA LYS B 29 -2.212 -16.196 -10.024 1.00 0.70 C ATOM 1683 C LYS B 29 -3.415 -15.295 -10.260 1.00 0.70 C ATOM 1684 O LYS B 29 -4.318 -15.628 -11.032 1.00 0.76 O ATOM 1685 CB LYS B 29 -2.409 -17.031 -8.754 1.00 0.69 C ATOM 1686 CG LYS B 29 -1.212 -17.902 -8.413 1.00 0.74 C ATOM 1687 CD LYS B 29 -1.520 -18.884 -7.296 1.00 0.77 C ATOM 1688 CE LYS B 29 -0.255 -19.563 -6.804 1.00 0.84 C ATOM 1689 NZ LYS B 29 -0.541 -20.834 -6.088 1.00 1.26 N ATOM 0 H LYS B 29 -0.601 -15.341 -8.994 1.00 0.68 H new ATOM 0 HA LYS B 29 -2.107 -16.884 -10.863 1.00 0.70 H new ATOM 0 HB2 LYS B 29 -2.613 -16.363 -7.917 1.00 0.69 H new ATOM 0 HB3 LYS B 29 -3.287 -17.665 -8.877 1.00 0.69 H new ATOM 0 HG2 LYS B 29 -0.899 -18.451 -9.301 1.00 0.74 H new ATOM 0 HG3 LYS B 29 -0.376 -17.269 -8.118 1.00 0.74 H new ATOM 0 HD2 LYS B 29 -2.001 -18.361 -6.470 1.00 0.77 H new ATOM 0 HD3 LYS B 29 -2.225 -19.635 -7.652 1.00 0.77 H new ATOM 0 HE2 LYS B 29 0.400 -19.765 -7.652 1.00 0.84 H new ATOM 0 HE3 LYS B 29 0.283 -18.887 -6.140 1.00 0.84 H new ATOM 0 HZ1 LYS B 29 -0.097 -20.811 -5.148 1.00 1.26 H new ATOM 0 HZ2 LYS B 29 -1.569 -20.949 -5.982 1.00 1.26 H new ATOM 0 HZ3 LYS B 29 -0.158 -21.633 -6.632 1.00 1.26 H new ATOM 1703 N ILE B 30 -3.415 -14.139 -9.599 1.00 0.65 N ATOM 1704 CA ILE B 30 -4.488 -13.165 -9.748 1.00 0.67 C ATOM 1705 C ILE B 30 -4.498 -12.596 -11.168 1.00 0.70 C ATOM 1706 O ILE B 30 -5.535 -12.172 -11.672 1.00 0.72 O ATOM 1707 CB ILE B 30 -4.349 -12.024 -8.710 1.00 0.63 C ATOM 1708 CG1 ILE B 30 -4.374 -12.607 -7.292 1.00 0.69 C ATOM 1709 CG2 ILE B 30 -5.457 -10.990 -8.880 1.00 0.67 C ATOM 1710 CD1 ILE B 30 -4.146 -11.588 -6.195 1.00 0.67 C ATOM 0 H ILE B 30 -2.679 -13.856 -8.953 1.00 0.65 H new ATOM 0 HA ILE B 30 -5.435 -13.673 -9.568 1.00 0.67 H new ATOM 0 HB ILE B 30 -3.396 -11.521 -8.874 1.00 0.63 H new ATOM 0 HG12 ILE B 30 -5.337 -13.091 -7.128 1.00 0.69 H new ATOM 0 HG13 ILE B 30 -3.611 -13.382 -7.217 1.00 0.69 H new ATOM 0 HG21 ILE B 30 -5.335 -10.201 -8.138 1.00 0.67 H new ATOM 0 HG22 ILE B 30 -5.403 -10.560 -9.880 1.00 0.67 H new ATOM 0 HG23 ILE B 30 -6.426 -11.469 -8.743 1.00 0.67 H new ATOM 0 HD11 ILE B 30 -4.179 -12.084 -5.225 1.00 0.67 H new ATOM 0 HD12 ILE B 30 -3.171 -11.120 -6.330 1.00 0.67 H new ATOM 0 HD13 ILE B 30 -4.923 -10.825 -6.240 1.00 0.67 H new ATOM 1722 N GLN B 31 -3.345 -12.634 -11.824 1.00 0.74 N ATOM 1723 CA GLN B 31 -3.233 -12.139 -13.187 1.00 0.80 C ATOM 1724 C GLN B 31 -3.871 -13.133 -14.155 1.00 0.88 C ATOM 1725 O GLN B 31 -4.308 -12.772 -15.245 1.00 0.90 O ATOM 1726 CB GLN B 31 -1.769 -11.905 -13.561 1.00 0.83 C ATOM 1727 CG GLN B 31 -1.594 -11.271 -14.930 1.00 0.92 C ATOM 1728 CD GLN B 31 -0.142 -11.053 -15.300 1.00 0.95 C ATOM 1729 OE1 GLN B 31 0.737 -11.812 -14.894 1.00 1.10 O ATOM 1730 NE2 GLN B 31 0.118 -10.010 -16.069 1.00 1.26 N ATOM 0 H GLN B 31 -2.477 -13.002 -11.434 1.00 0.74 H new ATOM 0 HA GLN B 31 -3.759 -11.187 -13.254 1.00 0.80 H new ATOM 0 HB2 GLN B 31 -1.307 -11.265 -12.810 1.00 0.83 H new ATOM 0 HB3 GLN B 31 -1.239 -12.857 -13.538 1.00 0.83 H new ATOM 0 HG2 GLN B 31 -2.063 -11.906 -15.681 1.00 0.92 H new ATOM 0 HG3 GLN B 31 -2.116 -10.314 -14.951 1.00 0.92 H new ATOM 0 HE21 GLN B 31 -0.642 -9.406 -16.383 1.00 1.26 H new ATOM 0 HE22 GLN B 31 1.078 -9.809 -16.348 1.00 1.26 H new ATOM 1739 N ASP B 32 -3.921 -14.391 -13.742 1.00 0.95 N ATOM 1740 CA ASP B 32 -4.517 -15.442 -14.559 1.00 1.04 C ATOM 1741 C ASP B 32 -6.023 -15.473 -14.364 1.00 1.07 C ATOM 1742 O ASP B 32 -6.755 -16.059 -15.158 1.00 1.20 O ATOM 1743 CB ASP B 32 -3.923 -16.807 -14.209 1.00 1.03 C ATOM 1744 CG ASP B 32 -2.634 -17.085 -14.950 1.00 1.52 C ATOM 1745 OD1 ASP B 32 -2.597 -16.884 -16.183 1.00 1.80 O ATOM 1746 OD2 ASP B 32 -1.652 -17.506 -14.305 1.00 2.04 O ATOM 0 H ASP B 32 -3.556 -14.711 -12.845 1.00 0.95 H new ATOM 0 HA ASP B 32 -4.296 -15.223 -15.604 1.00 1.04 H new ATOM 0 HB2 ASP B 32 -3.739 -16.855 -13.136 1.00 1.03 H new ATOM 0 HB3 ASP B 32 -4.648 -17.586 -14.443 1.00 1.03 H new ATOM 1751 N LYS B 33 -6.478 -14.833 -13.299 1.00 0.98 N ATOM 1752 CA LYS B 33 -7.896 -14.786 -12.985 1.00 1.04 C ATOM 1753 C LYS B 33 -8.467 -13.394 -13.261 1.00 1.03 C ATOM 1754 O LYS B 33 -9.145 -13.175 -14.260 1.00 1.08 O ATOM 1755 CB LYS B 33 -8.115 -15.174 -11.522 1.00 0.98 C ATOM 1756 CG LYS B 33 -9.553 -15.514 -11.188 1.00 1.28 C ATOM 1757 CD LYS B 33 -9.741 -15.710 -9.695 1.00 1.27 C ATOM 1758 CE LYS B 33 -11.195 -15.974 -9.351 1.00 1.92 C ATOM 1759 NZ LYS B 33 -12.093 -14.938 -9.924 1.00 2.27 N ATOM 0 H LYS B 33 -5.883 -14.337 -12.635 1.00 0.98 H new ATOM 0 HA LYS B 33 -8.420 -15.497 -13.624 1.00 1.04 H new ATOM 0 HB2 LYS B 33 -7.484 -16.031 -11.285 1.00 0.98 H new ATOM 0 HB3 LYS B 33 -7.788 -14.352 -10.885 1.00 0.98 H new ATOM 0 HG2 LYS B 33 -10.208 -14.716 -11.537 1.00 1.28 H new ATOM 0 HG3 LYS B 33 -9.846 -16.421 -11.716 1.00 1.28 H new ATOM 0 HD2 LYS B 33 -9.128 -16.545 -9.356 1.00 1.27 H new ATOM 0 HD3 LYS B 33 -9.395 -14.824 -9.163 1.00 1.27 H new ATOM 0 HE2 LYS B 33 -11.485 -16.955 -9.727 1.00 1.92 H new ATOM 0 HE3 LYS B 33 -11.314 -16.000 -8.268 1.00 1.92 H new ATOM 0 HZ1 LYS B 33 -13.004 -14.953 -9.423 1.00 2.27 H new ATOM 0 HZ2 LYS B 33 -11.655 -14.001 -9.817 1.00 2.27 H new ATOM 0 HZ3 LYS B 33 -12.249 -15.134 -10.933 1.00 2.27 H new ATOM 1773 N GLU B 34 -8.174 -12.462 -12.363 1.00 0.99 N ATOM 1774 CA GLU B 34 -8.653 -11.084 -12.478 1.00 0.98 C ATOM 1775 C GLU B 34 -7.938 -10.313 -13.589 1.00 0.99 C ATOM 1776 O GLU B 34 -8.329 -9.195 -13.922 1.00 0.99 O ATOM 1777 CB GLU B 34 -8.457 -10.356 -11.149 1.00 0.91 C ATOM 1778 CG GLU B 34 -8.929 -11.151 -9.943 1.00 0.92 C ATOM 1779 CD GLU B 34 -10.420 -11.403 -9.954 1.00 1.10 C ATOM 1780 OE1 GLU B 34 -11.185 -10.465 -9.657 1.00 1.30 O ATOM 1781 OE2 GLU B 34 -10.834 -12.540 -10.258 1.00 1.20 O ATOM 0 H GLU B 34 -7.601 -12.635 -11.537 1.00 0.99 H new ATOM 0 HA GLU B 34 -9.712 -11.129 -12.733 1.00 0.98 H new ATOM 0 HB2 GLU B 34 -7.400 -10.120 -11.027 1.00 0.91 H new ATOM 0 HB3 GLU B 34 -8.994 -9.408 -11.181 1.00 0.91 H new ATOM 0 HG2 GLU B 34 -8.404 -12.106 -9.915 1.00 0.92 H new ATOM 0 HG3 GLU B 34 -8.663 -10.614 -9.033 1.00 0.92 H new ATOM 1788 N GLY B 35 -6.890 -10.904 -14.147 1.00 1.00 N ATOM 1789 CA GLY B 35 -6.143 -10.257 -15.214 1.00 1.02 C ATOM 1790 C GLY B 35 -5.386 -9.016 -14.764 1.00 0.97 C ATOM 1791 O GLY B 35 -4.856 -8.272 -15.590 1.00 1.00 O ATOM 0 H GLY B 35 -6.541 -11.824 -13.880 1.00 1.00 H new ATOM 0 HA2 GLY B 35 -5.435 -10.971 -15.635 1.00 1.02 H new ATOM 0 HA3 GLY B 35 -6.832 -9.982 -16.013 1.00 1.02 H new ATOM 1795 N ILE B 36 -5.343 -8.783 -13.460 1.00 0.89 N ATOM 1796 CA ILE B 36 -4.646 -7.626 -12.912 1.00 0.84 C ATOM 1797 C ILE B 36 -3.138 -7.866 -12.894 1.00 0.83 C ATOM 1798 O ILE B 36 -2.679 -8.890 -12.389 1.00 0.80 O ATOM 1799 CB ILE B 36 -5.135 -7.302 -11.483 1.00 0.79 C ATOM 1800 CG1 ILE B 36 -6.651 -7.094 -11.477 1.00 0.82 C ATOM 1801 CG2 ILE B 36 -4.429 -6.066 -10.939 1.00 0.74 C ATOM 1802 CD1 ILE B 36 -7.237 -6.902 -10.094 1.00 0.81 C ATOM 0 H ILE B 36 -5.783 -9.380 -12.760 1.00 0.89 H new ATOM 0 HA ILE B 36 -4.867 -6.775 -13.556 1.00 0.84 H new ATOM 0 HB ILE B 36 -4.894 -8.146 -10.837 1.00 0.79 H new ATOM 0 HG12 ILE B 36 -6.891 -6.223 -12.087 1.00 0.82 H new ATOM 0 HG13 ILE B 36 -7.128 -7.954 -11.947 1.00 0.82 H new ATOM 0 HG21 ILE B 36 -4.788 -5.856 -9.932 1.00 0.74 H new ATOM 0 HG22 ILE B 36 -3.354 -6.244 -10.911 1.00 0.74 H new ATOM 0 HG23 ILE B 36 -4.639 -5.213 -11.585 1.00 0.74 H new ATOM 0 HD11 ILE B 36 -8.315 -6.761 -10.172 1.00 0.81 H new ATOM 0 HD12 ILE B 36 -7.029 -7.782 -9.485 1.00 0.81 H new ATOM 0 HD13 ILE B 36 -6.789 -6.025 -9.628 1.00 0.81 H new ATOM 1814 N PRO B 37 -2.351 -6.939 -13.472 1.00 0.87 N ATOM 1815 CA PRO B 37 -0.889 -7.049 -13.505 1.00 0.88 C ATOM 1816 C PRO B 37 -0.290 -7.120 -12.101 1.00 0.79 C ATOM 1817 O PRO B 37 -0.662 -6.338 -11.223 1.00 0.71 O ATOM 1818 CB PRO B 37 -0.439 -5.761 -14.202 1.00 0.96 C ATOM 1819 CG PRO B 37 -1.635 -5.286 -14.952 1.00 1.01 C ATOM 1820 CD PRO B 37 -2.827 -5.720 -14.150 1.00 0.93 C ATOM 0 HA PRO B 37 -0.564 -7.957 -14.013 1.00 0.88 H new ATOM 0 HB2 PRO B 37 -0.107 -5.017 -13.478 1.00 0.96 H new ATOM 0 HB3 PRO B 37 0.399 -5.949 -14.874 1.00 0.96 H new ATOM 0 HG2 PRO B 37 -1.617 -4.202 -15.069 1.00 1.01 H new ATOM 0 HG3 PRO B 37 -1.662 -5.714 -15.954 1.00 1.01 H new ATOM 0 HD2 PRO B 37 -3.132 -4.955 -13.436 1.00 0.93 H new ATOM 0 HD3 PRO B 37 -3.688 -5.923 -14.786 1.00 0.93 H new ATOM 1828 N PRO B 38 0.639 -8.064 -11.864 1.00 0.82 N ATOM 1829 CA PRO B 38 1.289 -8.238 -10.556 1.00 0.76 C ATOM 1830 C PRO B 38 2.013 -6.984 -10.071 1.00 0.72 C ATOM 1831 O PRO B 38 2.074 -6.728 -8.871 1.00 0.67 O ATOM 1832 CB PRO B 38 2.291 -9.370 -10.800 1.00 0.86 C ATOM 1833 CG PRO B 38 1.739 -10.110 -11.963 1.00 0.95 C ATOM 1834 CD PRO B 38 1.110 -9.064 -12.838 1.00 0.93 C ATOM 0 HA PRO B 38 0.557 -8.451 -9.777 1.00 0.76 H new ATOM 0 HB2 PRO B 38 3.286 -8.980 -11.014 1.00 0.86 H new ATOM 0 HB3 PRO B 38 2.382 -10.015 -9.926 1.00 0.86 H new ATOM 0 HG2 PRO B 38 2.524 -10.648 -12.495 1.00 0.95 H new ATOM 0 HG3 PRO B 38 1.005 -10.850 -11.645 1.00 0.95 H new ATOM 0 HD2 PRO B 38 1.828 -8.639 -13.540 1.00 0.93 H new ATOM 0 HD3 PRO B 38 0.289 -9.471 -13.429 1.00 0.93 H new ATOM 1842 N ASP B 39 2.539 -6.192 -11.002 1.00 0.79 N ATOM 1843 CA ASP B 39 3.266 -4.969 -10.648 1.00 0.82 C ATOM 1844 C ASP B 39 2.326 -3.900 -10.091 1.00 0.72 C ATOM 1845 O ASP B 39 2.756 -2.974 -9.409 1.00 0.76 O ATOM 1846 CB ASP B 39 4.012 -4.419 -11.867 1.00 0.97 C ATOM 1847 CG ASP B 39 4.903 -3.239 -11.520 1.00 1.25 C ATOM 1848 OD1 ASP B 39 5.938 -3.443 -10.848 1.00 1.76 O ATOM 1849 OD2 ASP B 39 4.578 -2.101 -11.913 1.00 1.92 O ATOM 0 H ASP B 39 2.478 -6.371 -12.004 1.00 0.79 H new ATOM 0 HA ASP B 39 3.986 -5.228 -9.871 1.00 0.82 H new ATOM 0 HB2 ASP B 39 4.618 -5.211 -12.306 1.00 0.97 H new ATOM 0 HB3 ASP B 39 3.289 -4.114 -12.624 1.00 0.97 H new ATOM 1854 N GLN B 40 1.039 -4.051 -10.360 1.00 0.64 N ATOM 1855 CA GLN B 40 0.043 -3.092 -9.897 1.00 0.59 C ATOM 1856 C GLN B 40 -0.723 -3.649 -8.705 1.00 0.52 C ATOM 1857 O GLN B 40 -1.811 -3.176 -8.376 1.00 0.54 O ATOM 1858 CB GLN B 40 -0.930 -2.749 -11.029 1.00 0.63 C ATOM 1859 CG GLN B 40 -0.519 -1.539 -11.857 1.00 0.74 C ATOM 1860 CD GLN B 40 0.770 -1.754 -12.628 1.00 1.26 C ATOM 1861 OE1 GLN B 40 0.761 -2.268 -13.749 1.00 1.81 O ATOM 1862 NE2 GLN B 40 1.883 -1.352 -12.042 1.00 1.91 N ATOM 0 H GLN B 40 0.657 -4.829 -10.897 1.00 0.64 H new ATOM 0 HA GLN B 40 0.560 -2.184 -9.586 1.00 0.59 H new ATOM 0 HB2 GLN B 40 -1.023 -3.612 -11.688 1.00 0.63 H new ATOM 0 HB3 GLN B 40 -1.916 -2.566 -10.603 1.00 0.63 H new ATOM 0 HG2 GLN B 40 -1.318 -1.298 -12.558 1.00 0.74 H new ATOM 0 HG3 GLN B 40 -0.402 -0.679 -11.198 1.00 0.74 H new ATOM 0 HE21 GLN B 40 1.847 -0.931 -11.113 1.00 1.91 H new ATOM 0 HE22 GLN B 40 2.778 -1.462 -12.518 1.00 1.91 H new ATOM 1871 N GLN B 41 -0.137 -4.641 -8.050 1.00 0.46 N ATOM 1872 CA GLN B 41 -0.768 -5.284 -6.909 1.00 0.42 C ATOM 1873 C GLN B 41 0.082 -5.167 -5.651 1.00 0.46 C ATOM 1874 O GLN B 41 1.217 -5.642 -5.608 1.00 0.69 O ATOM 1875 CB GLN B 41 -1.009 -6.758 -7.221 1.00 0.45 C ATOM 1876 CG GLN B 41 -2.218 -7.007 -8.101 1.00 0.52 C ATOM 1877 CD GLN B 41 -2.363 -8.466 -8.470 1.00 0.59 C ATOM 1878 OE1 GLN B 41 -2.944 -9.244 -7.728 1.00 0.96 O ATOM 1879 NE2 GLN B 41 -1.844 -8.840 -9.624 1.00 0.74 N ATOM 0 H GLN B 41 0.779 -5.019 -8.292 1.00 0.46 H new ATOM 0 HA GLN B 41 -1.715 -4.777 -6.724 1.00 0.42 H new ATOM 0 HB2 GLN B 41 -0.125 -7.165 -7.711 1.00 0.45 H new ATOM 0 HB3 GLN B 41 -1.134 -7.302 -6.285 1.00 0.45 H new ATOM 0 HG2 GLN B 41 -3.117 -6.674 -7.583 1.00 0.52 H new ATOM 0 HG3 GLN B 41 -2.133 -6.411 -9.009 1.00 0.52 H new ATOM 0 HE21 GLN B 41 -1.367 -8.158 -10.214 1.00 0.74 H new ATOM 0 HE22 GLN B 41 -1.920 -9.811 -9.927 1.00 0.74 H new ATOM 1888 N ARG B 42 -0.465 -4.520 -4.634 1.00 0.36 N ATOM 1889 CA ARG B 42 0.221 -4.365 -3.361 1.00 0.39 C ATOM 1890 C ARG B 42 -0.417 -5.285 -2.327 1.00 0.37 C ATOM 1891 O ARG B 42 -1.584 -5.113 -1.972 1.00 0.43 O ATOM 1892 CB ARG B 42 0.154 -2.911 -2.882 1.00 0.50 C ATOM 1893 CG ARG B 42 0.755 -1.914 -3.863 1.00 0.95 C ATOM 1894 CD ARG B 42 2.257 -2.092 -3.989 1.00 1.32 C ATOM 1895 NE ARG B 42 2.790 -1.426 -5.176 1.00 1.97 N ATOM 1896 CZ ARG B 42 3.244 -2.070 -6.250 1.00 2.64 C ATOM 1897 NH1 ARG B 42 3.214 -3.395 -6.297 1.00 3.02 N ATOM 1898 NH2 ARG B 42 3.725 -1.391 -7.284 1.00 3.22 N ATOM 0 H ARG B 42 -1.390 -4.091 -4.667 1.00 0.36 H new ATOM 0 HA ARG B 42 1.270 -4.633 -3.491 1.00 0.39 H new ATOM 0 HB2 ARG B 42 -0.887 -2.645 -2.700 1.00 0.50 H new ATOM 0 HB3 ARG B 42 0.675 -2.828 -1.928 1.00 0.50 H new ATOM 0 HG2 ARG B 42 0.290 -2.039 -4.841 1.00 0.95 H new ATOM 0 HG3 ARG B 42 0.535 -0.899 -3.532 1.00 0.95 H new ATOM 0 HD2 ARG B 42 2.745 -1.693 -3.100 1.00 1.32 H new ATOM 0 HD3 ARG B 42 2.494 -3.155 -4.033 1.00 1.32 H new ATOM 0 HE ARG B 42 2.816 -0.406 -5.182 1.00 1.97 H new ATOM 0 HH11 ARG B 42 2.842 -3.925 -5.509 1.00 3.02 H new ATOM 0 HH12 ARG B 42 3.563 -3.884 -7.121 1.00 3.02 H new ATOM 0 HH21 ARG B 42 3.748 -0.372 -7.258 1.00 3.22 H new ATOM 0 HH22 ARG B 42 4.072 -1.889 -8.104 1.00 3.22 H new ATOM 1912 N LEU B 43 0.345 -6.265 -1.858 1.00 0.38 N ATOM 1913 CA LEU B 43 -0.154 -7.223 -0.876 1.00 0.41 C ATOM 1914 C LEU B 43 -0.016 -6.675 0.540 1.00 0.41 C ATOM 1915 O LEU B 43 1.083 -6.336 0.981 1.00 0.45 O ATOM 1916 CB LEU B 43 0.604 -8.549 -0.999 1.00 0.46 C ATOM 1917 CG LEU B 43 -0.265 -9.791 -1.232 1.00 0.64 C ATOM 1918 CD1 LEU B 43 -1.287 -9.957 -0.118 1.00 1.33 C ATOM 1919 CD2 LEU B 43 -0.953 -9.714 -2.587 1.00 0.85 C ATOM 0 H LEU B 43 1.313 -6.419 -2.142 1.00 0.38 H new ATOM 0 HA LEU B 43 -1.212 -7.394 -1.077 1.00 0.41 H new ATOM 0 HB2 LEU B 43 1.315 -8.466 -1.821 1.00 0.46 H new ATOM 0 HB3 LEU B 43 1.185 -8.700 -0.089 1.00 0.46 H new ATOM 0 HG LEU B 43 0.385 -10.666 -1.225 1.00 0.64 H new ATOM 0 HD11 LEU B 43 -1.890 -10.845 -0.307 1.00 1.33 H new ATOM 0 HD12 LEU B 43 -0.771 -10.065 0.836 1.00 1.33 H new ATOM 0 HD13 LEU B 43 -1.933 -9.080 -0.083 1.00 1.33 H new ATOM 0 HD21 LEU B 43 -1.565 -10.604 -2.735 1.00 0.85 H new ATOM 0 HD22 LEU B 43 -1.586 -8.827 -2.624 1.00 0.85 H new ATOM 0 HD23 LEU B 43 -0.201 -9.656 -3.374 1.00 0.85 H new ATOM 1931 N ILE B 44 -1.139 -6.587 1.240 1.00 0.39 N ATOM 1932 CA ILE B 44 -1.152 -6.085 2.606 1.00 0.43 C ATOM 1933 C ILE B 44 -1.745 -7.127 3.548 1.00 0.45 C ATOM 1934 O ILE B 44 -2.747 -7.769 3.227 1.00 0.47 O ATOM 1935 CB ILE B 44 -1.973 -4.782 2.755 1.00 0.47 C ATOM 1936 CG1 ILE B 44 -2.017 -3.987 1.442 1.00 0.64 C ATOM 1937 CG2 ILE B 44 -1.400 -3.931 3.879 1.00 0.52 C ATOM 1938 CD1 ILE B 44 -0.716 -3.307 1.080 1.00 1.03 C ATOM 0 H ILE B 44 -2.055 -6.858 0.882 1.00 0.39 H new ATOM 0 HA ILE B 44 -0.114 -5.873 2.862 1.00 0.43 H new ATOM 0 HB ILE B 44 -2.998 -5.056 3.003 1.00 0.47 H new ATOM 0 HG12 ILE B 44 -2.298 -4.661 0.633 1.00 0.64 H new ATOM 0 HG13 ILE B 44 -2.800 -3.232 1.515 1.00 0.64 H new ATOM 0 HG21 ILE B 44 -1.984 -3.016 3.977 1.00 0.52 H new ATOM 0 HG22 ILE B 44 -1.440 -4.489 4.815 1.00 0.52 H new ATOM 0 HG23 ILE B 44 -0.364 -3.678 3.652 1.00 0.52 H new ATOM 0 HD11 ILE B 44 -0.836 -2.769 0.140 1.00 1.03 H new ATOM 0 HD12 ILE B 44 -0.441 -2.605 1.867 1.00 1.03 H new ATOM 0 HD13 ILE B 44 0.068 -4.056 0.972 1.00 1.03 H new ATOM 1950 N PHE B 45 -1.121 -7.290 4.702 1.00 0.48 N ATOM 1951 CA PHE B 45 -1.584 -8.239 5.705 1.00 0.52 C ATOM 1952 C PHE B 45 -1.092 -7.803 7.077 1.00 0.58 C ATOM 1953 O PHE B 45 0.013 -7.273 7.201 1.00 0.57 O ATOM 1954 CB PHE B 45 -1.088 -9.650 5.372 1.00 0.64 C ATOM 1955 CG PHE B 45 -1.562 -10.713 6.324 1.00 0.72 C ATOM 1956 CD1 PHE B 45 -2.905 -11.038 6.409 1.00 0.92 C ATOM 1957 CD2 PHE B 45 -0.659 -11.392 7.128 1.00 1.19 C ATOM 1958 CE1 PHE B 45 -3.341 -12.018 7.276 1.00 0.99 C ATOM 1959 CE2 PHE B 45 -1.091 -12.374 7.999 1.00 1.31 C ATOM 1960 CZ PHE B 45 -2.435 -12.687 8.073 1.00 0.97 C ATOM 0 H PHE B 45 -0.284 -6.773 4.971 1.00 0.48 H new ATOM 0 HA PHE B 45 -2.674 -8.259 5.710 1.00 0.52 H new ATOM 0 HB2 PHE B 45 -1.414 -9.909 4.365 1.00 0.64 H new ATOM 0 HB3 PHE B 45 0.002 -9.647 5.363 1.00 0.64 H new ATOM 0 HD1 PHE B 45 -3.620 -10.518 5.789 1.00 0.92 H new ATOM 0 HD2 PHE B 45 0.392 -11.151 7.073 1.00 1.19 H new ATOM 0 HE1 PHE B 45 -4.392 -12.262 7.331 1.00 0.99 H new ATOM 0 HE2 PHE B 45 -0.379 -12.896 8.621 1.00 1.31 H new ATOM 0 HZ PHE B 45 -2.775 -13.454 8.753 1.00 0.97 H new ATOM 1970 N ALA B 46 -1.921 -8.015 8.097 1.00 0.75 N ATOM 1971 CA ALA B 46 -1.591 -7.637 9.472 1.00 0.94 C ATOM 1972 C ALA B 46 -1.234 -6.152 9.577 1.00 0.87 C ATOM 1973 O ALA B 46 -0.434 -5.751 10.424 1.00 0.92 O ATOM 1974 CB ALA B 46 -0.461 -8.506 10.004 1.00 1.07 C ATOM 0 H ALA B 46 -2.837 -8.452 7.996 1.00 0.75 H new ATOM 0 HA ALA B 46 -2.476 -7.803 10.087 1.00 0.94 H new ATOM 0 HB1 ALA B 46 -0.227 -8.213 11.027 1.00 1.07 H new ATOM 0 HB2 ALA B 46 -0.768 -9.552 9.987 1.00 1.07 H new ATOM 0 HB3 ALA B 46 0.423 -8.377 9.379 1.00 1.07 H new ATOM 1980 N GLY B 47 -1.832 -5.346 8.705 1.00 0.83 N ATOM 1981 CA GLY B 47 -1.584 -3.916 8.710 1.00 0.87 C ATOM 1982 C GLY B 47 -0.221 -3.532 8.163 1.00 0.74 C ATOM 1983 O GLY B 47 0.258 -2.423 8.416 1.00 0.85 O ATOM 0 H GLY B 47 -2.488 -5.661 7.990 1.00 0.83 H new ATOM 0 HA2 GLY B 47 -2.355 -3.420 8.121 1.00 0.87 H new ATOM 0 HA3 GLY B 47 -1.674 -3.544 9.731 1.00 0.87 H new ATOM 1987 N LYS B 48 0.406 -4.433 7.415 1.00 0.58 N ATOM 1988 CA LYS B 48 1.722 -4.166 6.845 1.00 0.54 C ATOM 1989 C LYS B 48 1.826 -4.713 5.422 1.00 0.51 C ATOM 1990 O LYS B 48 1.140 -5.672 5.063 1.00 0.55 O ATOM 1991 CB LYS B 48 2.808 -4.793 7.725 1.00 0.56 C ATOM 1992 CG LYS B 48 4.215 -4.332 7.383 1.00 1.38 C ATOM 1993 CD LYS B 48 5.266 -5.315 7.866 1.00 1.44 C ATOM 1994 CE LYS B 48 6.644 -4.952 7.340 1.00 2.31 C ATOM 1995 NZ LYS B 48 6.668 -4.868 5.854 1.00 2.94 N ATOM 0 H LYS B 48 0.026 -5.352 7.189 1.00 0.58 H new ATOM 0 HA LYS B 48 1.864 -3.086 6.806 1.00 0.54 H new ATOM 0 HB2 LYS B 48 2.601 -4.554 8.768 1.00 0.56 H new ATOM 0 HB3 LYS B 48 2.758 -5.878 7.631 1.00 0.56 H new ATOM 0 HG2 LYS B 48 4.304 -4.207 6.304 1.00 1.38 H new ATOM 0 HG3 LYS B 48 4.397 -3.356 7.833 1.00 1.38 H new ATOM 0 HD2 LYS B 48 5.282 -5.327 8.956 1.00 1.44 H new ATOM 0 HD3 LYS B 48 5.003 -6.321 7.540 1.00 1.44 H new ATOM 0 HE2 LYS B 48 6.953 -3.996 7.762 1.00 2.31 H new ATOM 0 HE3 LYS B 48 7.367 -5.696 7.673 1.00 2.31 H new ATOM 0 HZ1 LYS B 48 7.650 -4.940 5.518 1.00 2.94 H new ATOM 0 HZ2 LYS B 48 6.106 -5.646 5.453 1.00 2.94 H new ATOM 0 HZ3 LYS B 48 6.265 -3.958 5.551 1.00 2.94 H new ATOM 2006 N GLN B 49 2.678 -4.091 4.614 1.00 0.54 N ATOM 2007 CA GLN B 49 2.898 -4.519 3.241 1.00 0.54 C ATOM 2008 C GLN B 49 3.966 -5.606 3.231 1.00 0.54 C ATOM 2009 O GLN B 49 5.161 -5.318 3.169 1.00 0.66 O ATOM 2010 CB GLN B 49 3.326 -3.329 2.372 1.00 0.61 C ATOM 2011 CG GLN B 49 2.905 -3.430 0.913 1.00 0.91 C ATOM 2012 CD GLN B 49 3.887 -4.205 0.059 1.00 1.34 C ATOM 2013 OE1 GLN B 49 4.842 -3.640 -0.477 1.00 1.56 O ATOM 2014 NE2 GLN B 49 3.651 -5.498 -0.086 1.00 2.24 N ATOM 0 H GLN B 49 3.232 -3.281 4.892 1.00 0.54 H new ATOM 0 HA GLN B 49 1.972 -4.917 2.827 1.00 0.54 H new ATOM 0 HB2 GLN B 49 2.907 -2.416 2.796 1.00 0.61 H new ATOM 0 HB3 GLN B 49 4.411 -3.233 2.418 1.00 0.61 H new ATOM 0 HG2 GLN B 49 1.928 -3.909 0.856 1.00 0.91 H new ATOM 0 HG3 GLN B 49 2.792 -2.426 0.504 1.00 0.91 H new ATOM 0 HE21 GLN B 49 2.848 -5.925 0.376 1.00 2.24 H new ATOM 0 HE22 GLN B 49 4.272 -6.069 -0.660 1.00 2.24 H new ATOM 2023 N LEU B 50 3.510 -6.842 3.367 1.00 0.60 N ATOM 2024 CA LEU B 50 4.370 -8.023 3.391 1.00 0.66 C ATOM 2025 C LEU B 50 5.428 -8.007 2.296 1.00 0.68 C ATOM 2026 O LEU B 50 5.142 -7.667 1.147 1.00 0.66 O ATOM 2027 CB LEU B 50 3.513 -9.278 3.235 1.00 0.70 C ATOM 2028 CG LEU B 50 2.998 -9.897 4.535 1.00 1.06 C ATOM 2029 CD1 LEU B 50 2.355 -8.848 5.432 1.00 1.76 C ATOM 2030 CD2 LEU B 50 2.014 -11.010 4.224 1.00 1.23 C ATOM 0 H LEU B 50 2.518 -7.059 3.465 1.00 0.60 H new ATOM 0 HA LEU B 50 4.890 -8.020 4.349 1.00 0.66 H new ATOM 0 HB2 LEU B 50 2.657 -9.035 2.606 1.00 0.70 H new ATOM 0 HB3 LEU B 50 4.096 -10.030 2.703 1.00 0.70 H new ATOM 0 HG LEU B 50 3.848 -10.315 5.075 1.00 1.06 H new ATOM 0 HD11 LEU B 50 1.999 -9.321 6.348 1.00 1.76 H new ATOM 0 HD12 LEU B 50 3.090 -8.082 5.681 1.00 1.76 H new ATOM 0 HD13 LEU B 50 1.515 -8.389 4.911 1.00 1.76 H new ATOM 0 HD21 LEU B 50 1.652 -11.446 5.155 1.00 1.23 H new ATOM 0 HD22 LEU B 50 1.173 -10.605 3.661 1.00 1.23 H new ATOM 0 HD23 LEU B 50 2.510 -11.779 3.632 1.00 1.23 H new ATOM 2042 N GLU B 51 6.653 -8.370 2.671 1.00 0.75 N ATOM 2043 CA GLU B 51 7.758 -8.437 1.729 1.00 0.83 C ATOM 2044 C GLU B 51 7.388 -9.343 0.560 1.00 0.76 C ATOM 2045 O GLU B 51 7.097 -10.528 0.742 1.00 0.70 O ATOM 2046 CB GLU B 51 9.021 -8.947 2.436 1.00 1.00 C ATOM 2047 CG GLU B 51 10.221 -9.136 1.518 1.00 1.33 C ATOM 2048 CD GLU B 51 10.560 -7.893 0.726 1.00 1.68 C ATOM 2049 OE1 GLU B 51 11.150 -6.957 1.299 1.00 2.14 O ATOM 2050 OE2 GLU B 51 10.226 -7.840 -0.475 1.00 2.36 O ATOM 0 H GLU B 51 6.902 -8.623 3.627 1.00 0.75 H new ATOM 0 HA GLU B 51 7.962 -7.439 1.341 1.00 0.83 H new ATOM 0 HB2 GLU B 51 9.290 -8.245 3.226 1.00 1.00 H new ATOM 0 HB3 GLU B 51 8.794 -9.898 2.918 1.00 1.00 H new ATOM 0 HG2 GLU B 51 11.086 -9.427 2.114 1.00 1.33 H new ATOM 0 HG3 GLU B 51 10.019 -9.956 0.829 1.00 1.33 H new ATOM 2057 N ASP B 52 7.419 -8.776 -0.637 1.00 0.84 N ATOM 2058 CA ASP B 52 7.056 -9.493 -1.853 1.00 0.88 C ATOM 2059 C ASP B 52 7.999 -10.660 -2.111 1.00 0.92 C ATOM 2060 O ASP B 52 7.624 -11.646 -2.748 1.00 1.42 O ATOM 2061 CB ASP B 52 7.075 -8.542 -3.052 1.00 1.02 C ATOM 2062 CG ASP B 52 6.276 -7.276 -2.813 1.00 1.11 C ATOM 2063 OD1 ASP B 52 5.032 -7.349 -2.780 1.00 1.52 O ATOM 2064 OD2 ASP B 52 6.890 -6.197 -2.670 1.00 1.32 O ATOM 0 H ASP B 52 7.696 -7.807 -0.794 1.00 0.84 H new ATOM 0 HA ASP B 52 6.050 -9.889 -1.717 1.00 0.88 H new ATOM 0 HB2 ASP B 52 8.107 -8.276 -3.282 1.00 1.02 H new ATOM 0 HB3 ASP B 52 6.676 -9.058 -3.925 1.00 1.02 H new ATOM 2069 N GLY B 53 9.217 -10.546 -1.602 1.00 0.79 N ATOM 2070 CA GLY B 53 10.203 -11.590 -1.793 1.00 0.88 C ATOM 2071 C GLY B 53 10.104 -12.712 -0.771 1.00 0.84 C ATOM 2072 O GLY B 53 10.939 -13.614 -0.760 1.00 0.93 O ATOM 0 H GLY B 53 9.541 -9.746 -1.058 1.00 0.79 H new ATOM 0 HA2 GLY B 53 10.088 -12.009 -2.793 1.00 0.88 H new ATOM 0 HA3 GLY B 53 11.200 -11.151 -1.744 1.00 0.88 H new ATOM 2076 N ARG B 54 9.095 -12.663 0.093 1.00 0.76 N ATOM 2077 CA ARG B 54 8.923 -13.696 1.111 1.00 0.79 C ATOM 2078 C ARG B 54 7.756 -14.618 0.764 1.00 0.72 C ATOM 2079 O ARG B 54 7.135 -14.479 -0.295 1.00 0.69 O ATOM 2080 CB ARG B 54 8.730 -13.060 2.491 1.00 0.83 C ATOM 2081 CG ARG B 54 9.997 -12.410 3.028 1.00 1.00 C ATOM 2082 CD ARG B 54 9.833 -11.927 4.462 1.00 1.22 C ATOM 2083 NE ARG B 54 9.947 -13.022 5.423 1.00 2.01 N ATOM 2084 CZ ARG B 54 10.075 -12.861 6.740 1.00 2.69 C ATOM 2085 NH1 ARG B 54 10.143 -11.646 7.266 1.00 2.90 N ATOM 2086 NH2 ARG B 54 10.145 -13.926 7.528 1.00 3.65 N ATOM 0 H ARG B 54 8.389 -11.927 0.110 1.00 0.76 H new ATOM 0 HA ARG B 54 9.828 -14.304 1.138 1.00 0.79 H new ATOM 0 HB2 ARG B 54 7.940 -12.311 2.433 1.00 0.83 H new ATOM 0 HB3 ARG B 54 8.394 -13.823 3.193 1.00 0.83 H new ATOM 0 HG2 ARG B 54 10.819 -13.125 2.979 1.00 1.00 H new ATOM 0 HG3 ARG B 54 10.269 -11.568 2.392 1.00 1.00 H new ATOM 0 HD2 ARG B 54 10.589 -11.173 4.680 1.00 1.22 H new ATOM 0 HD3 ARG B 54 8.861 -11.446 4.574 1.00 1.22 H new ATOM 0 HE ARG B 54 9.927 -13.975 5.061 1.00 2.01 H new ATOM 0 HH11 ARG B 54 10.097 -10.825 6.662 1.00 2.90 H new ATOM 0 HH12 ARG B 54 10.241 -11.532 8.275 1.00 2.90 H new ATOM 0 HH21 ARG B 54 10.101 -14.862 7.125 1.00 3.65 H new ATOM 0 HH22 ARG B 54 10.243 -13.809 8.536 1.00 3.65 H new ATOM 2100 N THR B 55 7.453 -15.551 1.656 1.00 0.72 N ATOM 2101 CA THR B 55 6.382 -16.506 1.424 1.00 0.68 C ATOM 2102 C THR B 55 5.206 -16.269 2.368 1.00 0.66 C ATOM 2103 O THR B 55 5.304 -15.487 3.316 1.00 0.69 O ATOM 2104 CB THR B 55 6.877 -17.959 1.598 1.00 0.75 C ATOM 2105 OG1 THR B 55 7.506 -18.122 2.877 1.00 0.90 O ATOM 2106 CG2 THR B 55 7.857 -18.339 0.498 1.00 0.76 C ATOM 0 H THR B 55 7.935 -15.666 2.547 1.00 0.72 H new ATOM 0 HA THR B 55 6.051 -16.358 0.396 1.00 0.68 H new ATOM 0 HB THR B 55 6.010 -18.616 1.534 1.00 0.75 H new ATOM 0 HG1 THR B 55 8.261 -17.502 2.952 1.00 0.90 H new ATOM 0 HG21 THR B 55 8.189 -19.367 0.646 1.00 0.76 H new ATOM 0 HG22 THR B 55 7.367 -18.252 -0.472 1.00 0.76 H new ATOM 0 HG23 THR B 55 8.718 -17.671 0.531 1.00 0.76 H new ATOM 2114 N LEU B 56 4.090 -16.935 2.091 1.00 0.63 N ATOM 2115 CA LEU B 56 2.893 -16.821 2.918 1.00 0.63 C ATOM 2116 C LEU B 56 3.161 -17.324 4.339 1.00 0.70 C ATOM 2117 O LEU B 56 2.704 -16.730 5.322 1.00 0.71 O ATOM 2118 CB LEU B 56 1.743 -17.613 2.289 1.00 0.62 C ATOM 2119 CG LEU B 56 1.290 -17.132 0.907 1.00 0.58 C ATOM 2120 CD1 LEU B 56 0.190 -18.030 0.370 1.00 1.15 C ATOM 2121 CD2 LEU B 56 0.809 -15.688 0.969 1.00 1.26 C ATOM 0 H LEU B 56 3.989 -17.564 1.294 1.00 0.63 H new ATOM 0 HA LEU B 56 2.615 -15.769 2.974 1.00 0.63 H new ATOM 0 HB2 LEU B 56 2.045 -18.657 2.210 1.00 0.62 H new ATOM 0 HB3 LEU B 56 0.888 -17.578 2.965 1.00 0.62 H new ATOM 0 HG LEU B 56 2.144 -17.181 0.231 1.00 0.58 H new ATOM 0 HD11 LEU B 56 -0.122 -17.676 -0.613 1.00 1.15 H new ATOM 0 HD12 LEU B 56 0.562 -19.051 0.286 1.00 1.15 H new ATOM 0 HD13 LEU B 56 -0.661 -18.009 1.050 1.00 1.15 H new ATOM 0 HD21 LEU B 56 0.492 -15.367 -0.023 1.00 1.26 H new ATOM 0 HD22 LEU B 56 -0.031 -15.614 1.660 1.00 1.26 H new ATOM 0 HD23 LEU B 56 1.621 -15.049 1.315 1.00 1.26 H new ATOM 2133 N SER B 57 3.919 -18.406 4.439 1.00 0.76 N ATOM 2134 CA SER B 57 4.260 -18.998 5.724 1.00 0.85 C ATOM 2135 C SER B 57 5.186 -18.093 6.537 1.00 0.90 C ATOM 2136 O SER B 57 5.374 -18.301 7.735 1.00 0.98 O ATOM 2137 CB SER B 57 4.913 -20.357 5.495 1.00 0.95 C ATOM 2138 OG SER B 57 5.495 -20.418 4.202 1.00 0.98 O ATOM 0 H SER B 57 4.313 -18.896 3.636 1.00 0.76 H new ATOM 0 HA SER B 57 3.342 -19.121 6.299 1.00 0.85 H new ATOM 0 HB2 SER B 57 5.677 -20.532 6.253 1.00 0.95 H new ATOM 0 HB3 SER B 57 4.170 -21.147 5.603 1.00 0.95 H new ATOM 0 HG SER B 57 5.826 -21.325 4.035 1.00 0.98 H new ATOM 2144 N ASP B 58 5.756 -17.084 5.886 1.00 0.87 N ATOM 2145 CA ASP B 58 6.653 -16.141 6.554 1.00 0.93 C ATOM 2146 C ASP B 58 5.879 -15.222 7.485 1.00 0.91 C ATOM 2147 O ASP B 58 6.457 -14.575 8.356 1.00 0.95 O ATOM 2148 CB ASP B 58 7.402 -15.288 5.531 1.00 0.97 C ATOM 2149 CG ASP B 58 8.712 -15.898 5.089 1.00 1.14 C ATOM 2150 OD1 ASP B 58 9.601 -16.094 5.943 1.00 1.16 O ATOM 2151 OD2 ASP B 58 8.872 -16.152 3.881 1.00 1.61 O ATOM 0 H ASP B 58 5.614 -16.896 4.894 1.00 0.87 H new ATOM 0 HA ASP B 58 7.367 -16.726 7.134 1.00 0.93 H new ATOM 0 HB2 ASP B 58 6.766 -15.138 4.658 1.00 0.97 H new ATOM 0 HB3 ASP B 58 7.593 -14.304 5.959 1.00 0.97 H new ATOM 2156 N TYR B 59 4.568 -15.164 7.292 1.00 0.86 N ATOM 2157 CA TYR B 59 3.714 -14.311 8.105 1.00 0.87 C ATOM 2158 C TYR B 59 2.566 -15.107 8.715 1.00 0.88 C ATOM 2159 O TYR B 59 1.628 -14.533 9.273 1.00 0.91 O ATOM 2160 CB TYR B 59 3.176 -13.152 7.265 1.00 0.81 C ATOM 2161 CG TYR B 59 4.231 -12.123 6.919 1.00 0.78 C ATOM 2162 CD1 TYR B 59 5.078 -12.304 5.830 1.00 0.78 C ATOM 2163 CD2 TYR B 59 4.378 -10.969 7.677 1.00 0.84 C ATOM 2164 CE1 TYR B 59 6.039 -11.364 5.510 1.00 0.80 C ATOM 2165 CE2 TYR B 59 5.334 -10.023 7.359 1.00 0.87 C ATOM 2166 CZ TYR B 59 6.161 -10.226 6.276 1.00 0.83 C ATOM 2167 OH TYR B 59 7.111 -9.282 5.956 1.00 0.90 O ATOM 0 H TYR B 59 4.073 -15.699 6.578 1.00 0.86 H new ATOM 0 HA TYR B 59 4.312 -13.907 8.922 1.00 0.87 H new ATOM 0 HB2 TYR B 59 2.749 -13.548 6.344 1.00 0.81 H new ATOM 0 HB3 TYR B 59 2.367 -12.664 7.808 1.00 0.81 H new ATOM 0 HD1 TYR B 59 4.983 -13.194 5.225 1.00 0.78 H new ATOM 0 HD2 TYR B 59 3.735 -10.808 8.529 1.00 0.84 H new ATOM 0 HE1 TYR B 59 6.691 -11.521 4.664 1.00 0.80 H new ATOM 0 HE2 TYR B 59 5.432 -9.129 7.957 1.00 0.87 H new ATOM 0 HH TYR B 59 7.064 -8.541 6.595 1.00 0.90 H new ATOM 2177 N ASN B 60 2.645 -16.431 8.583 1.00 0.89 N ATOM 2178 CA ASN B 60 1.639 -17.347 9.126 1.00 0.92 C ATOM 2179 C ASN B 60 0.296 -17.189 8.416 1.00 0.86 C ATOM 2180 O ASN B 60 -0.760 -17.172 9.048 1.00 0.89 O ATOM 2181 CB ASN B 60 1.473 -17.162 10.644 1.00 1.00 C ATOM 2182 CG ASN B 60 0.758 -18.336 11.294 1.00 1.48 C ATOM 2183 OD1 ASN B 60 0.763 -19.452 10.772 1.00 2.05 O ATOM 2184 ND2 ASN B 60 0.144 -18.095 12.441 1.00 1.91 N ATOM 0 H ASN B 60 3.409 -16.900 8.096 1.00 0.89 H new ATOM 0 HA ASN B 60 1.998 -18.360 8.945 1.00 0.92 H new ATOM 0 HB2 ASN B 60 2.454 -17.038 11.102 1.00 1.00 H new ATOM 0 HB3 ASN B 60 0.914 -16.247 10.837 1.00 1.00 H new ATOM 0 HD21 ASN B 60 -0.347 -18.847 12.924 1.00 1.91 H new ATOM 0 HD22 ASN B 60 0.162 -17.157 12.842 1.00 1.91 H new ATOM 2191 N ILE B 61 0.338 -17.070 7.095 1.00 0.80 N ATOM 2192 CA ILE B 61 -0.882 -16.953 6.316 1.00 0.74 C ATOM 2193 C ILE B 61 -1.413 -18.348 6.011 1.00 0.74 C ATOM 2194 O ILE B 61 -0.879 -19.059 5.163 1.00 0.73 O ATOM 2195 CB ILE B 61 -0.665 -16.170 5.003 1.00 0.68 C ATOM 2196 CG1 ILE B 61 -0.219 -14.738 5.308 1.00 0.70 C ATOM 2197 CG2 ILE B 61 -1.939 -16.166 4.163 1.00 0.66 C ATOM 2198 CD1 ILE B 61 0.070 -13.915 4.073 1.00 0.65 C ATOM 0 H ILE B 61 1.198 -17.052 6.547 1.00 0.80 H new ATOM 0 HA ILE B 61 -1.607 -16.392 6.906 1.00 0.74 H new ATOM 0 HB ILE B 61 0.120 -16.665 4.430 1.00 0.68 H new ATOM 0 HG12 ILE B 61 -0.995 -14.242 5.891 1.00 0.70 H new ATOM 0 HG13 ILE B 61 0.676 -14.770 5.930 1.00 0.70 H new ATOM 0 HG21 ILE B 61 -1.766 -15.609 3.242 1.00 0.66 H new ATOM 0 HG22 ILE B 61 -2.218 -17.191 3.920 1.00 0.66 H new ATOM 0 HG23 ILE B 61 -2.744 -15.694 4.726 1.00 0.66 H new ATOM 0 HD11 ILE B 61 0.380 -12.913 4.368 1.00 0.65 H new ATOM 0 HD12 ILE B 61 0.867 -14.387 3.499 1.00 0.65 H new ATOM 0 HD13 ILE B 61 -0.829 -13.851 3.460 1.00 0.65 H new ATOM 2210 N GLN B 62 -2.448 -18.736 6.735 1.00 0.80 N ATOM 2211 CA GLN B 62 -3.047 -20.051 6.573 1.00 0.81 C ATOM 2212 C GLN B 62 -4.263 -19.991 5.651 1.00 0.75 C ATOM 2213 O GLN B 62 -4.494 -18.986 4.974 1.00 0.70 O ATOM 2214 CB GLN B 62 -3.427 -20.614 7.944 1.00 0.91 C ATOM 2215 CG GLN B 62 -2.225 -20.847 8.849 1.00 1.02 C ATOM 2216 CD GLN B 62 -2.605 -21.127 10.289 1.00 1.22 C ATOM 2217 OE1 GLN B 62 -3.664 -21.692 10.575 1.00 1.83 O ATOM 2218 NE2 GLN B 62 -1.741 -20.735 11.209 1.00 1.51 N ATOM 0 H GLN B 62 -2.894 -18.156 7.445 1.00 0.80 H new ATOM 0 HA GLN B 62 -2.318 -20.714 6.108 1.00 0.81 H new ATOM 0 HB2 GLN B 62 -4.115 -19.926 8.434 1.00 0.91 H new ATOM 0 HB3 GLN B 62 -3.960 -21.555 7.808 1.00 0.91 H new ATOM 0 HG2 GLN B 62 -1.646 -21.686 8.464 1.00 1.02 H new ATOM 0 HG3 GLN B 62 -1.578 -19.971 8.815 1.00 1.02 H new ATOM 0 HE21 GLN B 62 -0.876 -20.271 10.932 1.00 1.51 H new ATOM 0 HE22 GLN B 62 -1.939 -20.897 12.196 1.00 1.51 H new ATOM 2227 N LYS B 63 -5.035 -21.067 5.630 1.00 0.78 N ATOM 2228 CA LYS B 63 -6.218 -21.148 4.786 1.00 0.77 C ATOM 2229 C LYS B 63 -7.331 -20.243 5.304 1.00 0.77 C ATOM 2230 O LYS B 63 -7.453 -20.027 6.511 1.00 0.82 O ATOM 2231 CB LYS B 63 -6.712 -22.593 4.720 1.00 0.81 C ATOM 2232 CG LYS B 63 -6.993 -23.206 6.083 1.00 0.91 C ATOM 2233 CD LYS B 63 -7.633 -24.576 5.958 1.00 1.12 C ATOM 2234 CE LYS B 63 -8.009 -25.135 7.317 1.00 1.66 C ATOM 2235 NZ LYS B 63 -8.796 -26.390 7.200 1.00 2.28 N ATOM 0 H LYS B 63 -4.862 -21.901 6.191 1.00 0.78 H new ATOM 0 HA LYS B 63 -5.944 -20.810 3.787 1.00 0.77 H new ATOM 0 HB2 LYS B 63 -7.622 -22.630 4.121 1.00 0.81 H new ATOM 0 HB3 LYS B 63 -5.967 -23.199 4.205 1.00 0.81 H new ATOM 0 HG2 LYS B 63 -6.062 -23.288 6.644 1.00 0.91 H new ATOM 0 HG3 LYS B 63 -7.650 -22.547 6.650 1.00 0.91 H new ATOM 0 HD2 LYS B 63 -8.522 -24.508 5.332 1.00 1.12 H new ATOM 0 HD3 LYS B 63 -6.943 -25.258 5.460 1.00 1.12 H new ATOM 0 HE2 LYS B 63 -7.104 -25.326 7.894 1.00 1.66 H new ATOM 0 HE3 LYS B 63 -8.588 -24.393 7.867 1.00 1.66 H new ATOM 0 HZ1 LYS B 63 -9.034 -26.741 8.150 1.00 2.28 H new ATOM 0 HZ2 LYS B 63 -9.672 -26.203 6.671 1.00 2.28 H new ATOM 0 HZ3 LYS B 63 -8.234 -27.106 6.697 1.00 2.28 H new ATOM 2249 N GLU B 64 -8.115 -19.696 4.375 1.00 0.75 N ATOM 2250 CA GLU B 64 -9.245 -18.823 4.699 1.00 0.79 C ATOM 2251 C GLU B 64 -8.795 -17.523 5.364 1.00 0.78 C ATOM 2252 O GLU B 64 -9.553 -16.906 6.115 1.00 0.90 O ATOM 2253 CB GLU B 64 -10.259 -19.545 5.597 1.00 0.88 C ATOM 2254 CG GLU B 64 -11.136 -20.549 4.863 1.00 1.05 C ATOM 2255 CD GLU B 64 -10.515 -21.929 4.780 1.00 1.32 C ATOM 2256 OE1 GLU B 64 -10.381 -22.593 5.827 1.00 2.17 O ATOM 2257 OE2 GLU B 64 -10.174 -22.366 3.660 1.00 1.43 O ATOM 0 H GLU B 64 -7.985 -19.846 3.374 1.00 0.75 H new ATOM 0 HA GLU B 64 -9.725 -18.568 3.754 1.00 0.79 H new ATOM 0 HB2 GLU B 64 -9.721 -20.062 6.392 1.00 0.88 H new ATOM 0 HB3 GLU B 64 -10.898 -18.802 6.075 1.00 0.88 H new ATOM 0 HG2 GLU B 64 -12.099 -20.620 5.369 1.00 1.05 H new ATOM 0 HG3 GLU B 64 -11.332 -20.183 3.855 1.00 1.05 H new ATOM 2264 N SER B 65 -7.571 -17.097 5.082 1.00 0.69 N ATOM 2265 CA SER B 65 -7.050 -15.866 5.656 1.00 0.70 C ATOM 2266 C SER B 65 -7.489 -14.668 4.829 1.00 0.66 C ATOM 2267 O SER B 65 -7.484 -14.716 3.597 1.00 0.63 O ATOM 2268 CB SER B 65 -5.525 -15.913 5.739 1.00 0.68 C ATOM 2269 OG SER B 65 -5.099 -16.979 6.565 1.00 0.74 O ATOM 0 H SER B 65 -6.924 -17.584 4.462 1.00 0.69 H new ATOM 0 HA SER B 65 -7.451 -15.764 6.665 1.00 0.70 H new ATOM 0 HB2 SER B 65 -5.106 -16.031 4.740 1.00 0.68 H new ATOM 0 HB3 SER B 65 -5.149 -14.969 6.133 1.00 0.68 H new ATOM 0 HG SER B 65 -4.575 -17.615 6.034 1.00 0.74 H new ATOM 2275 N THR B 66 -7.881 -13.607 5.511 1.00 0.70 N ATOM 2276 CA THR B 66 -8.324 -12.397 4.849 1.00 0.69 C ATOM 2277 C THR B 66 -7.149 -11.461 4.589 1.00 0.65 C ATOM 2278 O THR B 66 -6.604 -10.857 5.515 1.00 0.68 O ATOM 2279 CB THR B 66 -9.380 -11.663 5.695 1.00 0.79 C ATOM 2280 OG1 THR B 66 -10.040 -12.593 6.570 1.00 0.98 O ATOM 2281 CG2 THR B 66 -10.406 -10.984 4.801 1.00 0.88 C ATOM 0 H THR B 66 -7.901 -13.561 6.530 1.00 0.70 H new ATOM 0 HA THR B 66 -8.769 -12.688 3.897 1.00 0.69 H new ATOM 0 HB THR B 66 -8.876 -10.901 6.290 1.00 0.79 H new ATOM 0 HG1 THR B 66 -10.709 -12.119 7.106 1.00 0.98 H new ATOM 0 HG21 THR B 66 -11.144 -10.471 5.418 1.00 0.88 H new ATOM 0 HG22 THR B 66 -9.906 -10.261 4.157 1.00 0.88 H new ATOM 0 HG23 THR B 66 -10.905 -11.733 4.186 1.00 0.88 H new ATOM 2289 N LEU B 67 -6.751 -11.365 3.333 1.00 0.61 N ATOM 2290 CA LEU B 67 -5.653 -10.501 2.932 1.00 0.59 C ATOM 2291 C LEU B 67 -6.204 -9.218 2.326 1.00 0.58 C ATOM 2292 O LEU B 67 -7.381 -9.149 1.963 1.00 0.61 O ATOM 2293 CB LEU B 67 -4.750 -11.198 1.907 1.00 0.59 C ATOM 2294 CG LEU B 67 -4.383 -12.652 2.219 1.00 0.75 C ATOM 2295 CD1 LEU B 67 -3.506 -13.225 1.117 1.00 1.15 C ATOM 2296 CD2 LEU B 67 -3.676 -12.756 3.561 1.00 1.31 C ATOM 0 H LEU B 67 -7.178 -11.882 2.564 1.00 0.61 H new ATOM 0 HA LEU B 67 -5.061 -10.270 3.818 1.00 0.59 H new ATOM 0 HB2 LEU B 67 -5.245 -11.169 0.936 1.00 0.59 H new ATOM 0 HB3 LEU B 67 -3.829 -10.623 1.813 1.00 0.59 H new ATOM 0 HG LEU B 67 -5.305 -13.231 2.272 1.00 0.75 H new ATOM 0 HD11 LEU B 67 -3.254 -14.259 1.353 1.00 1.15 H new ATOM 0 HD12 LEU B 67 -4.043 -13.190 0.169 1.00 1.15 H new ATOM 0 HD13 LEU B 67 -2.591 -12.637 1.037 1.00 1.15 H new ATOM 0 HD21 LEU B 67 -3.425 -13.798 3.760 1.00 1.31 H new ATOM 0 HD22 LEU B 67 -2.763 -12.161 3.538 1.00 1.31 H new ATOM 0 HD23 LEU B 67 -4.332 -12.384 4.348 1.00 1.31 H new ATOM 2308 N HIS B 68 -5.359 -8.206 2.223 1.00 0.59 N ATOM 2309 CA HIS B 68 -5.760 -6.935 1.649 1.00 0.60 C ATOM 2310 C HIS B 68 -4.938 -6.641 0.406 1.00 0.56 C ATOM 2311 O HIS B 68 -3.733 -6.891 0.378 1.00 0.65 O ATOM 2312 CB HIS B 68 -5.601 -5.804 2.665 1.00 0.70 C ATOM 2313 CG HIS B 68 -6.817 -5.579 3.506 1.00 1.14 C ATOM 2314 ND1 HIS B 68 -6.756 -5.141 4.810 1.00 1.91 N ATOM 2315 CD2 HIS B 68 -8.135 -5.731 3.224 1.00 1.76 C ATOM 2316 CE1 HIS B 68 -7.981 -5.027 5.290 1.00 2.20 C ATOM 2317 NE2 HIS B 68 -8.832 -5.381 4.351 1.00 2.10 N ATOM 0 H HIS B 68 -4.387 -8.242 2.531 1.00 0.59 H new ATOM 0 HA HIS B 68 -6.812 -7.001 1.373 1.00 0.60 H new ATOM 0 HB2 HIS B 68 -4.756 -6.028 3.316 1.00 0.70 H new ATOM 0 HB3 HIS B 68 -5.360 -4.882 2.135 1.00 0.70 H new ATOM 0 HD2 HIS B 68 -8.556 -6.065 2.287 1.00 1.76 H new ATOM 0 HE1 HIS B 68 -8.241 -4.699 6.286 1.00 2.20 H new ATOM 0 HE2 HIS B 68 -9.847 -5.393 4.446 1.00 2.10 H new ATOM 2326 N LEU B 69 -5.587 -6.123 -0.622 1.00 0.55 N ATOM 2327 CA LEU B 69 -4.900 -5.807 -1.862 1.00 0.51 C ATOM 2328 C LEU B 69 -5.169 -4.369 -2.284 1.00 0.52 C ATOM 2329 O LEU B 69 -6.308 -3.898 -2.243 1.00 0.70 O ATOM 2330 CB LEU B 69 -5.335 -6.770 -2.969 1.00 0.58 C ATOM 2331 CG LEU B 69 -4.607 -6.608 -4.303 1.00 0.56 C ATOM 2332 CD1 LEU B 69 -3.159 -7.048 -4.175 1.00 0.51 C ATOM 2333 CD2 LEU B 69 -5.311 -7.403 -5.392 1.00 0.71 C ATOM 0 H LEU B 69 -6.585 -5.913 -0.623 1.00 0.55 H new ATOM 0 HA LEU B 69 -3.829 -5.919 -1.694 1.00 0.51 H new ATOM 0 HB2 LEU B 69 -5.189 -7.791 -2.617 1.00 0.58 H new ATOM 0 HB3 LEU B 69 -6.404 -6.641 -3.140 1.00 0.58 H new ATOM 0 HG LEU B 69 -4.623 -5.554 -4.580 1.00 0.56 H new ATOM 0 HD11 LEU B 69 -2.656 -6.926 -5.134 1.00 0.51 H new ATOM 0 HD12 LEU B 69 -2.659 -6.439 -3.422 1.00 0.51 H new ATOM 0 HD13 LEU B 69 -3.122 -8.096 -3.877 1.00 0.51 H new ATOM 0 HD21 LEU B 69 -4.780 -7.277 -6.336 1.00 0.71 H new ATOM 0 HD22 LEU B 69 -5.324 -8.459 -5.121 1.00 0.71 H new ATOM 0 HD23 LEU B 69 -6.334 -7.044 -5.501 1.00 0.71 H new ATOM 2345 N VAL B 70 -4.113 -3.670 -2.657 1.00 0.40 N ATOM 2346 CA VAL B 70 -4.223 -2.291 -3.104 1.00 0.44 C ATOM 2347 C VAL B 70 -3.655 -2.160 -4.509 1.00 0.43 C ATOM 2348 O VAL B 70 -2.645 -2.785 -4.836 1.00 0.49 O ATOM 2349 CB VAL B 70 -3.479 -1.312 -2.168 1.00 0.47 C ATOM 2350 CG1 VAL B 70 -3.960 0.113 -2.392 1.00 1.14 C ATOM 2351 CG2 VAL B 70 -3.648 -1.709 -0.712 1.00 0.77 C ATOM 0 H VAL B 70 -3.161 -4.037 -2.659 1.00 0.40 H new ATOM 0 HA VAL B 70 -5.281 -2.031 -3.092 1.00 0.44 H new ATOM 0 HB VAL B 70 -2.417 -1.361 -2.408 1.00 0.47 H new ATOM 0 HG11 VAL B 70 -3.424 0.787 -1.724 1.00 1.14 H new ATOM 0 HG12 VAL B 70 -3.772 0.402 -3.426 1.00 1.14 H new ATOM 0 HG13 VAL B 70 -5.029 0.173 -2.187 1.00 1.14 H new ATOM 0 HG21 VAL B 70 -3.114 -1.002 -0.078 1.00 0.77 H new ATOM 0 HG22 VAL B 70 -4.707 -1.700 -0.453 1.00 0.77 H new ATOM 0 HG23 VAL B 70 -3.245 -2.710 -0.559 1.00 0.77 H new ATOM 2361 N LEU B 71 -4.313 -1.367 -5.340 1.00 0.44 N ATOM 2362 CA LEU B 71 -3.865 -1.158 -6.707 1.00 0.45 C ATOM 2363 C LEU B 71 -2.986 0.085 -6.784 1.00 0.52 C ATOM 2364 O LEU B 71 -3.017 0.926 -5.888 1.00 0.65 O ATOM 2365 CB LEU B 71 -5.067 -1.020 -7.648 1.00 0.52 C ATOM 2366 CG LEU B 71 -6.070 -2.173 -7.588 1.00 0.60 C ATOM 2367 CD1 LEU B 71 -7.291 -1.868 -8.441 1.00 0.99 C ATOM 2368 CD2 LEU B 71 -5.421 -3.476 -8.034 1.00 1.04 C ATOM 0 H LEU B 71 -5.160 -0.857 -5.091 1.00 0.44 H new ATOM 0 HA LEU B 71 -3.280 -2.022 -7.020 1.00 0.45 H new ATOM 0 HB2 LEU B 71 -5.588 -0.092 -7.413 1.00 0.52 H new ATOM 0 HB3 LEU B 71 -4.700 -0.930 -8.671 1.00 0.52 H new ATOM 0 HG LEU B 71 -6.393 -2.287 -6.553 1.00 0.60 H new ATOM 0 HD11 LEU B 71 -7.992 -2.701 -8.384 1.00 0.99 H new ATOM 0 HD12 LEU B 71 -7.774 -0.962 -8.075 1.00 0.99 H new ATOM 0 HD13 LEU B 71 -6.984 -1.722 -9.477 1.00 0.99 H new ATOM 0 HD21 LEU B 71 -6.152 -4.283 -7.983 1.00 1.04 H new ATOM 0 HD22 LEU B 71 -5.065 -3.373 -9.059 1.00 1.04 H new ATOM 0 HD23 LEU B 71 -4.581 -3.707 -7.379 1.00 1.04 H new ATOM 2380 N ARG B 72 -2.206 0.204 -7.847 1.00 0.70 N ATOM 2381 CA ARG B 72 -1.323 1.353 -8.010 1.00 0.85 C ATOM 2382 C ARG B 72 -1.922 2.360 -8.982 1.00 1.12 C ATOM 2383 O ARG B 72 -1.651 2.325 -10.181 1.00 1.44 O ATOM 2384 CB ARG B 72 0.061 0.902 -8.494 1.00 1.05 C ATOM 2385 CG ARG B 72 1.195 1.834 -8.085 1.00 1.32 C ATOM 2386 CD ARG B 72 1.498 2.878 -9.152 1.00 1.27 C ATOM 2387 NE ARG B 72 0.958 4.198 -8.813 1.00 1.61 N ATOM 2388 CZ ARG B 72 1.700 5.300 -8.682 1.00 2.00 C ATOM 2389 NH1 ARG B 72 3.020 5.251 -8.825 1.00 2.37 N ATOM 2390 NH2 ARG B 72 1.116 6.457 -8.399 1.00 2.67 N ATOM 0 H ARG B 72 -2.165 -0.475 -8.607 1.00 0.70 H new ATOM 0 HA ARG B 72 -1.212 1.837 -7.040 1.00 0.85 H new ATOM 0 HB2 ARG B 72 0.264 -0.095 -8.102 1.00 1.05 H new ATOM 0 HB3 ARG B 72 0.046 0.820 -9.581 1.00 1.05 H new ATOM 0 HG2 ARG B 72 0.932 2.335 -7.153 1.00 1.32 H new ATOM 0 HG3 ARG B 72 2.092 1.247 -7.889 1.00 1.32 H new ATOM 0 HD2 ARG B 72 2.577 2.954 -9.286 1.00 1.27 H new ATOM 0 HD3 ARG B 72 1.081 2.552 -10.105 1.00 1.27 H new ATOM 0 HE ARG B 72 -0.048 4.280 -8.668 1.00 1.61 H new ATOM 0 HH11 ARG B 72 3.477 4.364 -9.037 1.00 2.37 H new ATOM 0 HH12 ARG B 72 3.576 6.100 -8.723 1.00 2.37 H new ATOM 0 HH21 ARG B 72 0.104 6.502 -8.282 1.00 2.67 H new ATOM 0 HH22 ARG B 72 1.679 7.301 -8.298 1.00 2.67 H new