USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 753 hydrogens (25 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 TYR OH : rot -131:sc= 0.308 USER MOD Set 1.2: A 82 GLN : amide:sc= -0.268 X(o=0.04,f=0.36) USER MOD Set 2.1: A 43 MET CE :methyl 151:sc= -0.0101 (180deg=-0.00138) USER MOD Set 2.2: A 44 ASN : amide:sc= 0.0671 K(o=0.057,f=-2.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0734) USER MOD Single : A 7 LYS NZ :NH3+ -142:sc= -0.046 (180deg=-0.901) USER MOD Single : A 9 LYS NZ :NH3+ 167:sc= 0.462 (180deg=0.238) USER MOD Single : A 13 TYR OH : rot -80:sc= -0.711 USER MOD Single : A 15 MET CE :methyl -169:sc=-0.00823 (180deg=-0.328) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -161:sc= -1.38! USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 47 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.017) USER MOD Single : A 49 MET CE :methyl 151:sc= -2.86 (180deg=-4.53!) USER MOD Single : A 51 TYR OH : rot -110:sc=0.000305 USER MOD Single : A 56 MET CE :methyl 154:sc= -1.86 (180deg=-2.89!) USER MOD Single : A 59 SER OG : rot 110:sc= 0.216 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.925 F(o=-2.5!,f=-0.92) USER MOD Single : A 66 THR OG1 : rot 150:sc= -0.791 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -133:sc= 0.0277 (180deg=-1.02) USER MOD Single : A 74 ASN : amide:sc= -0.242 K(o=-0.24,f=-2.4!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -111:sc= 0.678 USER MOD Single : A 84 LYS NZ :NH3+ 164:sc= -2.39! (180deg=-3.15!) USER MOD Single : A 87 SER OG : rot -21:sc= 0.0852 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.055 17.120 0.742 1.00 33.22 N ATOM 2 CA MET A 1 2.746 15.678 0.597 1.00 23.11 C ATOM 3 C MET A 1 1.442 15.504 -0.203 1.00 63.21 C ATOM 4 O MET A 1 0.343 15.497 0.369 1.00 50.10 O ATOM 5 CB MET A 1 2.635 15.003 1.994 1.00 30.24 C ATOM 6 CG MET A 1 3.896 15.117 2.865 1.00 71.13 C ATOM 7 SD MET A 1 3.734 14.233 4.436 1.00 41.01 S ATOM 8 CE MET A 1 5.343 14.520 5.184 1.00 5.13 C ATOM 0 H1 MET A 1 3.993 17.232 1.177 1.00 33.22 H new ATOM 0 H2 MET A 1 3.052 17.572 -0.195 1.00 33.22 H new ATOM 0 H3 MET A 1 2.337 17.570 1.346 1.00 33.22 H new ATOM 0 HA MET A 1 3.556 15.192 0.053 1.00 23.11 H new ATOM 0 HB2 MET A 1 1.797 15.448 2.532 1.00 30.24 H new ATOM 0 HB3 MET A 1 2.400 13.948 1.855 1.00 30.24 H new ATOM 0 HG2 MET A 1 4.750 14.722 2.316 1.00 71.13 H new ATOM 0 HG3 MET A 1 4.103 16.169 3.063 1.00 71.13 H new ATOM 0 HE1 MET A 1 5.384 14.032 6.158 1.00 5.13 H new ATOM 0 HE2 MET A 1 6.122 14.111 4.540 1.00 5.13 H new ATOM 0 HE3 MET A 1 5.500 15.591 5.309 1.00 5.13 H new ATOM 20 N ASP A 2 1.577 15.422 -1.538 1.00 31.11 N ATOM 21 CA ASP A 2 0.434 15.255 -2.454 1.00 62.13 C ATOM 22 C ASP A 2 -0.128 13.819 -2.348 1.00 55.44 C ATOM 23 O ASP A 2 0.635 12.853 -2.200 1.00 34.21 O ATOM 24 CB ASP A 2 0.874 15.584 -3.907 1.00 41.13 C ATOM 25 CG ASP A 2 -0.272 15.497 -4.933 1.00 75.45 C ATOM 26 OD1 ASP A 2 -0.965 16.511 -5.149 1.00 53.13 O ATOM 27 OD2 ASP A 2 -0.511 14.408 -5.498 1.00 71.15 O ATOM 0 H ASP A 2 2.479 15.469 -2.012 1.00 31.11 H new ATOM 0 HA ASP A 2 -0.361 15.946 -2.173 1.00 62.13 H new ATOM 0 HB2 ASP A 2 1.297 16.588 -3.931 1.00 41.13 H new ATOM 0 HB3 ASP A 2 1.667 14.897 -4.202 1.00 41.13 H new ATOM 32 N GLY A 3 -1.464 13.704 -2.431 1.00 65.25 N ATOM 33 CA GLY A 3 -2.161 12.437 -2.249 1.00 41.14 C ATOM 34 C GLY A 3 -1.905 11.441 -3.369 1.00 64.03 C ATOM 35 O GLY A 3 -1.565 10.291 -3.104 1.00 13.24 O ATOM 0 H GLY A 3 -2.083 14.491 -2.626 1.00 65.25 H new ATOM 0 HA2 GLY A 3 -1.853 11.994 -1.302 1.00 41.14 H new ATOM 0 HA3 GLY A 3 -3.232 12.627 -2.179 1.00 41.14 H new ATOM 39 N GLU A 4 -2.049 11.886 -4.632 1.00 12.24 N ATOM 40 CA GLU A 4 -1.862 11.008 -5.813 1.00 62.15 C ATOM 41 C GLU A 4 -0.391 10.651 -6.026 1.00 61.40 C ATOM 42 O GLU A 4 -0.091 9.575 -6.555 1.00 21.22 O ATOM 43 CB GLU A 4 -2.486 11.643 -7.082 1.00 61.54 C ATOM 44 CG GLU A 4 -4.012 11.860 -6.970 1.00 72.43 C ATOM 45 CD GLU A 4 -4.670 12.284 -8.291 1.00 71.01 C ATOM 46 OE1 GLU A 4 -4.684 13.493 -8.609 1.00 21.14 O ATOM 47 OE2 GLU A 4 -5.165 11.404 -9.032 1.00 65.42 O ATOM 0 H GLU A 4 -2.294 12.848 -4.865 1.00 12.24 H new ATOM 0 HA GLU A 4 -2.389 10.074 -5.616 1.00 62.15 H new ATOM 0 HB2 GLU A 4 -2.003 12.601 -7.275 1.00 61.54 H new ATOM 0 HB3 GLU A 4 -2.279 11.003 -7.940 1.00 61.54 H new ATOM 0 HG2 GLU A 4 -4.477 10.938 -6.621 1.00 72.43 H new ATOM 0 HG3 GLU A 4 -4.208 12.621 -6.215 1.00 72.43 H new ATOM 54 N GLU A 5 0.501 11.545 -5.559 1.00 34.05 N ATOM 55 CA GLU A 5 1.957 11.318 -5.530 1.00 34.22 C ATOM 56 C GLU A 5 2.274 10.031 -4.774 1.00 11.20 C ATOM 57 O GLU A 5 2.866 9.105 -5.320 1.00 63.25 O ATOM 58 CB GLU A 5 2.656 12.511 -4.825 1.00 74.20 C ATOM 59 CG GLU A 5 4.174 12.357 -4.591 1.00 70.54 C ATOM 60 CD GLU A 5 5.009 12.363 -5.877 1.00 44.53 C ATOM 61 OE1 GLU A 5 5.270 13.460 -6.413 1.00 3.21 O ATOM 62 OE2 GLU A 5 5.408 11.285 -6.356 1.00 25.04 O ATOM 0 H GLU A 5 0.227 12.455 -5.187 1.00 34.05 H new ATOM 0 HA GLU A 5 2.320 11.231 -6.554 1.00 34.22 H new ATOM 0 HB2 GLU A 5 2.488 13.409 -5.420 1.00 74.20 H new ATOM 0 HB3 GLU A 5 2.173 12.672 -3.861 1.00 74.20 H new ATOM 0 HG2 GLU A 5 4.515 13.166 -3.945 1.00 70.54 H new ATOM 0 HG3 GLU A 5 4.356 11.424 -4.057 1.00 70.54 H new ATOM 69 N VAL A 6 1.846 9.985 -3.505 1.00 32.32 N ATOM 70 CA VAL A 6 2.190 8.880 -2.607 1.00 1.14 C ATOM 71 C VAL A 6 1.449 7.599 -3.008 1.00 53.01 C ATOM 72 O VAL A 6 2.053 6.525 -3.015 1.00 21.24 O ATOM 73 CB VAL A 6 1.950 9.247 -1.099 1.00 41.03 C ATOM 74 CG1 VAL A 6 2.748 10.516 -0.730 1.00 20.34 C ATOM 75 CG2 VAL A 6 0.452 9.428 -0.756 1.00 4.43 C ATOM 0 H VAL A 6 1.260 10.703 -3.079 1.00 32.32 H new ATOM 0 HA VAL A 6 3.259 8.693 -2.712 1.00 1.14 H new ATOM 0 HB VAL A 6 2.306 8.406 -0.503 1.00 41.03 H new ATOM 0 HG11 VAL A 6 2.575 10.763 0.318 1.00 20.34 H new ATOM 0 HG12 VAL A 6 3.811 10.337 -0.890 1.00 20.34 H new ATOM 0 HG13 VAL A 6 2.422 11.346 -1.357 1.00 20.34 H new ATOM 0 HG21 VAL A 6 0.348 9.680 0.299 1.00 4.43 H new ATOM 0 HG22 VAL A 6 0.034 10.230 -1.364 1.00 4.43 H new ATOM 0 HG23 VAL A 6 -0.083 8.501 -0.961 1.00 4.43 H new ATOM 85 N LYS A 7 0.169 7.740 -3.416 1.00 15.43 N ATOM 86 CA LYS A 7 -0.672 6.601 -3.842 1.00 22.33 C ATOM 87 C LYS A 7 -0.039 5.804 -4.994 1.00 73.22 C ATOM 88 O LYS A 7 0.072 4.571 -4.908 1.00 74.20 O ATOM 89 CB LYS A 7 -2.086 7.082 -4.253 1.00 52.41 C ATOM 90 CG LYS A 7 -3.005 7.511 -3.090 1.00 34.14 C ATOM 91 CD LYS A 7 -4.443 7.844 -3.581 1.00 51.13 C ATOM 92 CE LYS A 7 -4.472 8.879 -4.719 1.00 12.35 C ATOM 93 NZ LYS A 7 -5.851 9.180 -5.193 1.00 52.41 N ATOM 0 H LYS A 7 -0.308 8.641 -3.459 1.00 15.43 H new ATOM 0 HA LYS A 7 -0.752 5.936 -2.982 1.00 22.33 H new ATOM 0 HB2 LYS A 7 -1.980 7.923 -4.939 1.00 52.41 H new ATOM 0 HB3 LYS A 7 -2.577 6.281 -4.805 1.00 52.41 H new ATOM 0 HG2 LYS A 7 -3.050 6.713 -2.349 1.00 34.14 H new ATOM 0 HG3 LYS A 7 -2.580 8.383 -2.594 1.00 34.14 H new ATOM 0 HD2 LYS A 7 -4.925 6.927 -3.920 1.00 51.13 H new ATOM 0 HD3 LYS A 7 -5.028 8.220 -2.742 1.00 51.13 H new ATOM 0 HE2 LYS A 7 -4.001 9.801 -4.377 1.00 12.35 H new ATOM 0 HE3 LYS A 7 -3.878 8.509 -5.555 1.00 12.35 H new ATOM 0 HZ1 LYS A 7 -5.844 9.303 -6.226 1.00 52.41 H new ATOM 0 HZ2 LYS A 7 -6.484 8.393 -4.943 1.00 52.41 H new ATOM 0 HZ3 LYS A 7 -6.190 10.054 -4.742 1.00 52.41 H new ATOM 107 N GLU A 8 0.364 6.513 -6.068 1.00 44.31 N ATOM 108 CA GLU A 8 0.924 5.867 -7.267 1.00 35.21 C ATOM 109 C GLU A 8 2.259 5.181 -6.954 1.00 44.51 C ATOM 110 O GLU A 8 2.539 4.136 -7.518 1.00 14.33 O ATOM 111 CB GLU A 8 1.092 6.862 -8.445 1.00 0.12 C ATOM 112 CG GLU A 8 2.111 7.994 -8.199 1.00 32.21 C ATOM 113 CD GLU A 8 2.334 8.900 -9.413 1.00 44.43 C ATOM 114 OE1 GLU A 8 1.582 9.887 -9.597 1.00 24.52 O ATOM 115 OE2 GLU A 8 3.248 8.613 -10.220 1.00 14.42 O ATOM 0 H GLU A 8 0.311 7.530 -6.127 1.00 44.31 H new ATOM 0 HA GLU A 8 0.206 5.108 -7.578 1.00 35.21 H new ATOM 0 HB2 GLU A 8 1.396 6.305 -9.331 1.00 0.12 H new ATOM 0 HB3 GLU A 8 0.122 7.308 -8.666 1.00 0.12 H new ATOM 0 HG2 GLU A 8 1.769 8.602 -7.362 1.00 32.21 H new ATOM 0 HG3 GLU A 8 3.064 7.554 -7.905 1.00 32.21 H new ATOM 122 N LYS A 9 3.056 5.760 -6.037 1.00 24.35 N ATOM 123 CA LYS A 9 4.363 5.185 -5.652 1.00 44.23 C ATOM 124 C LYS A 9 4.206 3.911 -4.817 1.00 15.42 C ATOM 125 O LYS A 9 5.072 3.040 -4.864 1.00 60.51 O ATOM 126 CB LYS A 9 5.223 6.223 -4.904 1.00 3.21 C ATOM 127 CG LYS A 9 5.651 7.420 -5.774 1.00 71.12 C ATOM 128 CD LYS A 9 6.500 8.440 -4.995 1.00 1.04 C ATOM 129 CE LYS A 9 5.774 9.010 -3.765 1.00 21.42 C ATOM 130 NZ LYS A 9 6.556 10.088 -3.119 1.00 23.43 N ATOM 0 H LYS A 9 2.820 6.624 -5.548 1.00 24.35 H new ATOM 0 HA LYS A 9 4.876 4.910 -6.574 1.00 44.23 H new ATOM 0 HB2 LYS A 9 4.664 6.592 -4.044 1.00 3.21 H new ATOM 0 HB3 LYS A 9 6.115 5.730 -4.516 1.00 3.21 H new ATOM 0 HG2 LYS A 9 6.219 7.058 -6.631 1.00 71.12 H new ATOM 0 HG3 LYS A 9 4.763 7.916 -6.167 1.00 71.12 H new ATOM 0 HD2 LYS A 9 7.427 7.964 -4.675 1.00 1.04 H new ATOM 0 HD3 LYS A 9 6.775 9.259 -5.660 1.00 1.04 H new ATOM 0 HE2 LYS A 9 4.800 9.396 -4.064 1.00 21.42 H new ATOM 0 HE3 LYS A 9 5.593 8.211 -3.046 1.00 21.42 H new ATOM 0 HZ1 LYS A 9 5.953 10.594 -2.439 1.00 23.43 H new ATOM 0 HZ2 LYS A 9 7.370 9.675 -2.620 1.00 23.43 H new ATOM 0 HZ3 LYS A 9 6.895 10.753 -3.843 1.00 23.43 H new ATOM 144 N ILE A 10 3.092 3.804 -4.067 1.00 11.31 N ATOM 145 CA ILE A 10 2.739 2.557 -3.359 1.00 24.21 C ATOM 146 C ILE A 10 2.420 1.470 -4.396 1.00 74.53 C ATOM 147 O ILE A 10 2.870 0.331 -4.274 1.00 24.22 O ATOM 148 CB ILE A 10 1.519 2.746 -2.381 1.00 33.15 C ATOM 149 CG1 ILE A 10 1.777 3.901 -1.366 1.00 44.30 C ATOM 150 CG2 ILE A 10 1.180 1.438 -1.628 1.00 52.42 C ATOM 151 CD1 ILE A 10 3.039 3.759 -0.527 1.00 25.23 C ATOM 0 H ILE A 10 2.423 4.563 -3.936 1.00 11.31 H new ATOM 0 HA ILE A 10 3.592 2.263 -2.747 1.00 24.21 H new ATOM 0 HB ILE A 10 0.660 3.014 -2.997 1.00 33.15 H new ATOM 0 HG12 ILE A 10 1.830 4.841 -1.916 1.00 44.30 H new ATOM 0 HG13 ILE A 10 0.921 3.972 -0.695 1.00 44.30 H new ATOM 0 HG21 ILE A 10 0.333 1.610 -0.963 1.00 52.42 H new ATOM 0 HG22 ILE A 10 0.925 0.660 -2.347 1.00 52.42 H new ATOM 0 HG23 ILE A 10 2.043 1.122 -1.042 1.00 52.42 H new ATOM 0 HD11 ILE A 10 3.126 4.612 0.146 1.00 25.23 H new ATOM 0 HD12 ILE A 10 2.986 2.840 0.057 1.00 25.23 H new ATOM 0 HD13 ILE A 10 3.909 3.723 -1.182 1.00 25.23 H new ATOM 163 N ARG A 11 1.671 1.867 -5.446 1.00 23.53 N ATOM 164 CA ARG A 11 1.303 0.965 -6.556 1.00 73.24 C ATOM 165 C ARG A 11 2.527 0.570 -7.384 1.00 55.22 C ATOM 166 O ARG A 11 2.648 -0.582 -7.779 1.00 72.33 O ATOM 167 CB ARG A 11 0.231 1.599 -7.474 1.00 41.43 C ATOM 168 CG ARG A 11 -1.112 1.926 -6.796 1.00 34.42 C ATOM 169 CD ARG A 11 -1.812 0.705 -6.160 1.00 22.11 C ATOM 170 NE ARG A 11 -1.280 0.366 -4.818 1.00 3.15 N ATOM 171 CZ ARG A 11 -1.008 -0.873 -4.378 1.00 73.22 C ATOM 172 NH1 ARG A 11 -1.191 -1.925 -5.165 1.00 34.43 N ATOM 173 NH2 ARG A 11 -0.550 -1.053 -3.145 1.00 23.32 N ATOM 0 H ARG A 11 1.307 2.814 -5.548 1.00 23.53 H new ATOM 0 HA ARG A 11 0.883 0.066 -6.104 1.00 73.24 H new ATOM 0 HB2 ARG A 11 0.637 2.517 -7.898 1.00 41.43 H new ATOM 0 HB3 ARG A 11 0.043 0.920 -8.306 1.00 41.43 H new ATOM 0 HG2 ARG A 11 -0.944 2.677 -6.024 1.00 34.42 H new ATOM 0 HG3 ARG A 11 -1.780 2.371 -7.533 1.00 34.42 H new ATOM 0 HD2 ARG A 11 -2.880 0.906 -6.081 1.00 22.11 H new ATOM 0 HD3 ARG A 11 -1.697 -0.156 -6.818 1.00 22.11 H new ATOM 0 HE ARG A 11 -1.106 1.139 -4.175 1.00 3.15 H new ATOM 0 HH11 ARG A 11 -1.541 -1.797 -6.114 1.00 34.43 H new ATOM 0 HH12 ARG A 11 -0.981 -2.862 -4.821 1.00 34.43 H new ATOM 0 HH21 ARG A 11 -0.405 -0.250 -2.533 1.00 23.32 H new ATOM 0 HH22 ARG A 11 -0.343 -1.994 -2.810 1.00 23.32 H new ATOM 187 N ARG A 12 3.436 1.537 -7.616 1.00 2.21 N ATOM 188 CA ARG A 12 4.645 1.321 -8.430 1.00 5.24 C ATOM 189 C ARG A 12 5.575 0.371 -7.715 1.00 2.32 C ATOM 190 O ARG A 12 6.035 -0.576 -8.306 1.00 22.12 O ATOM 191 CB ARG A 12 5.369 2.662 -8.784 1.00 21.53 C ATOM 192 CG ARG A 12 5.026 3.200 -10.195 1.00 31.44 C ATOM 193 CD ARG A 12 3.516 3.428 -10.396 1.00 10.11 C ATOM 194 NE ARG A 12 3.167 3.736 -11.781 1.00 55.12 N ATOM 195 CZ ARG A 12 2.023 4.294 -12.177 1.00 71.22 C ATOM 196 NH1 ARG A 12 1.076 4.632 -11.301 1.00 70.33 N ATOM 197 NH2 ARG A 12 1.830 4.490 -13.471 1.00 2.11 N ATOM 0 H ARG A 12 3.353 2.484 -7.246 1.00 2.21 H new ATOM 0 HA ARG A 12 4.339 0.878 -9.378 1.00 5.24 H new ATOM 0 HB2 ARG A 12 5.102 3.415 -8.043 1.00 21.53 H new ATOM 0 HB3 ARG A 12 6.446 2.513 -8.714 1.00 21.53 H new ATOM 0 HG2 ARG A 12 5.556 4.138 -10.360 1.00 31.44 H new ATOM 0 HG3 ARG A 12 5.385 2.495 -10.945 1.00 31.44 H new ATOM 0 HD2 ARG A 12 2.974 2.537 -10.080 1.00 10.11 H new ATOM 0 HD3 ARG A 12 3.188 4.245 -9.754 1.00 10.11 H new ATOM 0 HE ARG A 12 3.852 3.506 -12.501 1.00 55.12 H new ATOM 0 HH11 ARG A 12 1.219 4.465 -10.305 1.00 70.33 H new ATOM 0 HH12 ARG A 12 0.208 5.058 -11.627 1.00 70.33 H new ATOM 0 HH21 ARG A 12 2.548 4.216 -14.141 1.00 2.11 H new ATOM 0 HH22 ARG A 12 0.963 4.915 -13.799 1.00 2.11 H new ATOM 211 N TYR A 13 5.785 0.618 -6.420 1.00 44.42 N ATOM 212 CA TYR A 13 6.595 -0.253 -5.541 1.00 31.12 C ATOM 213 C TYR A 13 6.131 -1.716 -5.622 1.00 31.42 C ATOM 214 O TYR A 13 6.947 -2.632 -5.663 1.00 23.25 O ATOM 215 CB TYR A 13 6.526 0.258 -4.088 1.00 55.11 C ATOM 216 CG TYR A 13 7.347 -0.578 -3.086 1.00 20.32 C ATOM 217 CD1 TYR A 13 8.731 -0.722 -3.240 1.00 41.24 C ATOM 218 CD2 TYR A 13 6.745 -1.204 -1.999 1.00 34.25 C ATOM 219 CE1 TYR A 13 9.478 -1.447 -2.348 1.00 54.31 C ATOM 220 CE2 TYR A 13 7.494 -1.937 -1.106 1.00 71.20 C ATOM 221 CZ TYR A 13 8.857 -2.051 -1.285 1.00 41.04 C ATOM 222 OH TYR A 13 9.614 -2.760 -0.391 1.00 61.01 O ATOM 0 H TYR A 13 5.399 1.431 -5.941 1.00 44.42 H new ATOM 0 HA TYR A 13 7.629 -0.217 -5.883 1.00 31.12 H new ATOM 0 HB2 TYR A 13 6.879 1.289 -4.060 1.00 55.11 H new ATOM 0 HB3 TYR A 13 5.484 0.269 -3.767 1.00 55.11 H new ATOM 0 HD1 TYR A 13 9.221 -0.252 -4.080 1.00 41.24 H new ATOM 0 HD2 TYR A 13 5.679 -1.114 -1.854 1.00 34.25 H new ATOM 0 HE1 TYR A 13 10.546 -1.542 -2.481 1.00 54.31 H new ATOM 0 HE2 TYR A 13 7.016 -2.421 -0.268 1.00 71.20 H new ATOM 0 HH TYR A 13 9.808 -3.648 -0.758 1.00 61.01 H new ATOM 232 N ILE A 14 4.806 -1.902 -5.664 1.00 30.12 N ATOM 233 CA ILE A 14 4.192 -3.216 -5.851 1.00 40.40 C ATOM 234 C ILE A 14 4.656 -3.838 -7.180 1.00 45.43 C ATOM 235 O ILE A 14 5.245 -4.906 -7.189 1.00 45.11 O ATOM 236 CB ILE A 14 2.624 -3.111 -5.765 1.00 73.30 C ATOM 237 CG1 ILE A 14 2.176 -2.752 -4.314 1.00 54.11 C ATOM 238 CG2 ILE A 14 1.928 -4.395 -6.245 1.00 23.15 C ATOM 239 CD1 ILE A 14 2.495 -3.811 -3.272 1.00 73.30 C ATOM 0 H ILE A 14 4.131 -1.143 -5.569 1.00 30.12 H new ATOM 0 HA ILE A 14 4.516 -3.878 -5.048 1.00 40.40 H new ATOM 0 HB ILE A 14 2.318 -2.309 -6.437 1.00 73.30 H new ATOM 0 HG12 ILE A 14 2.654 -1.817 -4.021 1.00 54.11 H new ATOM 0 HG13 ILE A 14 1.101 -2.573 -4.314 1.00 54.11 H new ATOM 0 HG21 ILE A 14 0.848 -4.274 -6.167 1.00 23.15 H new ATOM 0 HG22 ILE A 14 2.197 -4.588 -7.283 1.00 23.15 H new ATOM 0 HG23 ILE A 14 2.245 -5.234 -5.626 1.00 23.15 H new ATOM 0 HD11 ILE A 14 2.148 -3.476 -2.295 1.00 73.30 H new ATOM 0 HD12 ILE A 14 1.994 -4.743 -3.535 1.00 73.30 H new ATOM 0 HD13 ILE A 14 3.572 -3.975 -3.238 1.00 73.30 H new ATOM 251 N MET A 15 4.464 -3.113 -8.282 1.00 1.20 N ATOM 252 CA MET A 15 4.746 -3.626 -9.642 1.00 15.34 C ATOM 253 C MET A 15 6.258 -3.847 -9.875 1.00 32.23 C ATOM 254 O MET A 15 6.654 -4.848 -10.462 1.00 60.33 O ATOM 255 CB MET A 15 4.174 -2.655 -10.710 1.00 22.33 C ATOM 256 CG MET A 15 2.725 -2.229 -10.457 1.00 45.23 C ATOM 257 SD MET A 15 1.603 -3.610 -10.131 1.00 70.51 S ATOM 258 CE MET A 15 1.458 -4.331 -11.753 1.00 53.35 C ATOM 0 H MET A 15 4.110 -2.156 -8.268 1.00 1.20 H new ATOM 0 HA MET A 15 4.256 -4.595 -9.735 1.00 15.34 H new ATOM 0 HB2 MET A 15 4.801 -1.765 -10.749 1.00 22.33 H new ATOM 0 HB3 MET A 15 4.236 -3.131 -11.688 1.00 22.33 H new ATOM 0 HG2 MET A 15 2.700 -1.545 -9.609 1.00 45.23 H new ATOM 0 HG3 MET A 15 2.363 -1.675 -11.323 1.00 45.23 H new ATOM 0 HE1 MET A 15 0.653 -5.066 -11.754 1.00 53.35 H new ATOM 0 HE2 MET A 15 1.236 -3.550 -12.480 1.00 53.35 H new ATOM 0 HE3 MET A 15 2.395 -4.819 -12.019 1.00 53.35 H new ATOM 268 N GLU A 16 7.089 -2.930 -9.366 1.00 71.32 N ATOM 269 CA GLU A 16 8.540 -2.913 -9.616 1.00 51.32 C ATOM 270 C GLU A 16 9.256 -3.947 -8.748 1.00 5.11 C ATOM 271 O GLU A 16 10.071 -4.722 -9.244 1.00 43.21 O ATOM 272 CB GLU A 16 9.132 -1.507 -9.344 1.00 54.13 C ATOM 273 CG GLU A 16 8.493 -0.358 -10.144 1.00 2.25 C ATOM 274 CD GLU A 16 8.453 -0.596 -11.659 1.00 13.21 C ATOM 275 OE1 GLU A 16 9.502 -0.436 -12.320 1.00 32.43 O ATOM 276 OE2 GLU A 16 7.378 -0.942 -12.198 1.00 60.13 O ATOM 0 H GLU A 16 6.773 -2.171 -8.763 1.00 71.32 H new ATOM 0 HA GLU A 16 8.695 -3.165 -10.665 1.00 51.32 H new ATOM 0 HB2 GLU A 16 9.031 -1.288 -8.281 1.00 54.13 H new ATOM 0 HB3 GLU A 16 10.199 -1.531 -9.564 1.00 54.13 H new ATOM 0 HG2 GLU A 16 7.476 -0.201 -9.785 1.00 2.25 H new ATOM 0 HG3 GLU A 16 9.046 0.560 -9.946 1.00 2.25 H new ATOM 283 N ASP A 17 8.950 -3.929 -7.448 1.00 15.30 N ATOM 284 CA ASP A 17 9.600 -4.798 -6.453 1.00 51.32 C ATOM 285 C ASP A 17 8.821 -6.107 -6.283 1.00 42.34 C ATOM 286 O ASP A 17 9.332 -7.184 -6.626 1.00 20.42 O ATOM 287 CB ASP A 17 9.728 -4.037 -5.101 1.00 32.11 C ATOM 288 CG ASP A 17 10.400 -4.856 -3.985 1.00 75.32 C ATOM 289 OD1 ASP A 17 11.637 -5.027 -4.030 1.00 62.02 O ATOM 290 OD2 ASP A 17 9.706 -5.320 -3.057 1.00 43.42 O ATOM 0 H ASP A 17 8.243 -3.311 -7.051 1.00 15.30 H new ATOM 0 HA ASP A 17 10.599 -5.057 -6.803 1.00 51.32 H new ATOM 0 HB2 ASP A 17 10.300 -3.123 -5.262 1.00 32.11 H new ATOM 0 HB3 ASP A 17 8.734 -3.736 -4.769 1.00 32.11 H new ATOM 295 N LEU A 18 7.571 -5.995 -5.809 1.00 63.20 N ATOM 296 CA LEU A 18 6.751 -7.158 -5.391 1.00 21.02 C ATOM 297 C LEU A 18 6.362 -8.076 -6.572 1.00 51.13 C ATOM 298 O LEU A 18 6.186 -9.282 -6.378 1.00 14.34 O ATOM 299 CB LEU A 18 5.490 -6.697 -4.595 1.00 1.44 C ATOM 300 CG LEU A 18 5.750 -6.115 -3.155 1.00 25.32 C ATOM 301 CD1 LEU A 18 6.644 -7.057 -2.324 1.00 44.42 C ATOM 302 CD2 LEU A 18 6.334 -4.681 -3.179 1.00 22.51 C ATOM 0 H LEU A 18 7.094 -5.100 -5.702 1.00 63.20 H new ATOM 0 HA LEU A 18 7.376 -7.757 -4.729 1.00 21.02 H new ATOM 0 HB2 LEU A 18 4.973 -5.939 -5.183 1.00 1.44 H new ATOM 0 HB3 LEU A 18 4.813 -7.546 -4.504 1.00 1.44 H new ATOM 0 HG LEU A 18 4.774 -6.048 -2.673 1.00 25.32 H new ATOM 0 HD11 LEU A 18 6.805 -6.627 -1.335 1.00 44.42 H new ATOM 0 HD12 LEU A 18 6.156 -8.027 -2.223 1.00 44.42 H new ATOM 0 HD13 LEU A 18 7.604 -7.184 -2.825 1.00 44.42 H new ATOM 0 HD21 LEU A 18 6.491 -4.335 -2.157 1.00 22.51 H new ATOM 0 HD22 LEU A 18 7.285 -4.684 -3.711 1.00 22.51 H new ATOM 0 HD23 LEU A 18 5.637 -4.013 -3.685 1.00 22.51 H new ATOM 314 N ILE A 19 6.185 -7.507 -7.772 1.00 53.33 N ATOM 315 CA ILE A 19 6.011 -8.292 -9.010 1.00 23.40 C ATOM 316 C ILE A 19 7.393 -8.527 -9.663 1.00 54.12 C ATOM 317 O ILE A 19 7.848 -9.672 -9.796 1.00 54.03 O ATOM 318 CB ILE A 19 5.013 -7.606 -10.041 1.00 23.21 C ATOM 319 CG1 ILE A 19 3.511 -7.680 -9.584 1.00 74.15 C ATOM 320 CG2 ILE A 19 5.143 -8.237 -11.452 1.00 52.53 C ATOM 321 CD1 ILE A 19 3.161 -7.052 -8.250 1.00 21.32 C ATOM 0 H ILE A 19 6.158 -6.498 -7.916 1.00 53.33 H new ATOM 0 HA ILE A 19 5.559 -9.246 -8.737 1.00 23.40 H new ATOM 0 HB ILE A 19 5.303 -6.556 -10.076 1.00 23.21 H new ATOM 0 HG12 ILE A 19 2.901 -7.204 -10.352 1.00 74.15 H new ATOM 0 HG13 ILE A 19 3.220 -8.730 -9.550 1.00 74.15 H new ATOM 0 HG21 ILE A 19 4.449 -7.748 -12.135 1.00 52.53 H new ATOM 0 HG22 ILE A 19 6.162 -8.107 -11.816 1.00 52.53 H new ATOM 0 HG23 ILE A 19 4.910 -9.300 -11.398 1.00 52.53 H new ATOM 0 HD11 ILE A 19 2.095 -7.174 -8.059 1.00 21.32 H new ATOM 0 HD12 ILE A 19 3.730 -7.539 -7.458 1.00 21.32 H new ATOM 0 HD13 ILE A 19 3.406 -5.990 -8.272 1.00 21.32 H new ATOM 333 N GLY A 20 8.059 -7.427 -10.051 1.00 54.13 N ATOM 334 CA GLY A 20 9.356 -7.487 -10.733 1.00 33.03 C ATOM 335 C GLY A 20 9.442 -6.537 -11.930 1.00 35.52 C ATOM 336 O GLY A 20 8.479 -5.817 -12.211 1.00 15.12 O ATOM 0 H GLY A 20 7.714 -6.479 -9.901 1.00 54.13 H new ATOM 0 HA2 GLY A 20 10.146 -7.242 -10.023 1.00 33.03 H new ATOM 0 HA3 GLY A 20 9.537 -8.507 -11.071 1.00 33.03 H new ATOM 340 N PRO A 21 10.594 -6.529 -12.675 1.00 2.24 N ATOM 341 CA PRO A 21 10.800 -5.627 -13.839 1.00 22.33 C ATOM 342 C PRO A 21 9.836 -5.927 -15.009 1.00 22.44 C ATOM 343 O PRO A 21 9.570 -5.059 -15.842 1.00 14.23 O ATOM 344 CB PRO A 21 12.277 -5.890 -14.230 1.00 61.01 C ATOM 345 CG PRO A 21 12.574 -7.263 -13.716 1.00 15.55 C ATOM 346 CD PRO A 21 11.780 -7.395 -12.436 1.00 1.54 C ATOM 0 HA PRO A 21 10.595 -4.584 -13.596 1.00 22.33 H new ATOM 0 HB2 PRO A 21 12.416 -5.834 -15.310 1.00 61.01 H new ATOM 0 HB3 PRO A 21 12.941 -5.149 -13.785 1.00 61.01 H new ATOM 0 HG2 PRO A 21 12.282 -8.025 -14.439 1.00 15.55 H new ATOM 0 HG3 PRO A 21 13.641 -7.391 -13.531 1.00 15.55 H new ATOM 0 HD2 PRO A 21 11.491 -8.429 -12.247 1.00 1.54 H new ATOM 0 HD3 PRO A 21 12.353 -7.061 -11.571 1.00 1.54 H new ATOM 354 N SER A 22 9.310 -7.162 -15.053 1.00 21.44 N ATOM 355 CA SER A 22 8.304 -7.568 -16.047 1.00 71.23 C ATOM 356 C SER A 22 6.894 -7.449 -15.438 1.00 41.25 C ATOM 357 O SER A 22 6.109 -8.410 -15.438 1.00 52.22 O ATOM 358 CB SER A 22 8.604 -9.008 -16.516 1.00 22.04 C ATOM 359 OG SER A 22 9.925 -9.143 -17.008 1.00 54.34 O ATOM 0 H SER A 22 9.569 -7.904 -14.403 1.00 21.44 H new ATOM 0 HA SER A 22 8.346 -6.911 -16.916 1.00 71.23 H new ATOM 0 HB2 SER A 22 8.455 -9.698 -15.686 1.00 22.04 H new ATOM 0 HB3 SER A 22 7.896 -9.290 -17.296 1.00 22.04 H new ATOM 0 HG SER A 22 10.075 -10.069 -17.293 1.00 54.34 H new ATOM 365 N ALA A 23 6.592 -6.245 -14.915 1.00 34.13 N ATOM 366 CA ALA A 23 5.308 -5.938 -14.263 1.00 31.33 C ATOM 367 C ALA A 23 4.131 -6.042 -15.239 1.00 73.55 C ATOM 368 O ALA A 23 4.306 -5.979 -16.454 1.00 15.25 O ATOM 369 CB ALA A 23 5.371 -4.551 -13.626 1.00 73.03 C ATOM 0 H ALA A 23 7.237 -5.455 -14.934 1.00 34.13 H new ATOM 0 HA ALA A 23 5.137 -6.681 -13.484 1.00 31.33 H new ATOM 0 HB1 ALA A 23 4.419 -4.328 -13.145 1.00 73.03 H new ATOM 0 HB2 ALA A 23 6.168 -4.528 -12.882 1.00 73.03 H new ATOM 0 HB3 ALA A 23 5.572 -3.806 -14.396 1.00 73.03 H new ATOM 375 N LYS A 24 2.928 -6.232 -14.680 1.00 34.14 N ATOM 376 CA LYS A 24 1.693 -6.421 -15.461 1.00 2.32 C ATOM 377 C LYS A 24 0.746 -5.237 -15.194 1.00 21.55 C ATOM 378 O LYS A 24 -0.106 -5.300 -14.305 1.00 24.44 O ATOM 379 CB LYS A 24 1.008 -7.765 -15.071 1.00 72.21 C ATOM 380 CG LYS A 24 1.938 -8.992 -14.944 1.00 62.43 C ATOM 381 CD LYS A 24 2.727 -9.316 -16.236 1.00 53.44 C ATOM 382 CE LYS A 24 3.657 -10.534 -16.049 1.00 12.12 C ATOM 383 NZ LYS A 24 4.506 -10.779 -17.239 1.00 41.14 N ATOM 0 H LYS A 24 2.781 -6.259 -13.671 1.00 34.14 H new ATOM 0 HA LYS A 24 1.934 -6.460 -16.523 1.00 2.32 H new ATOM 0 HB2 LYS A 24 0.494 -7.624 -14.120 1.00 72.21 H new ATOM 0 HB3 LYS A 24 0.244 -7.989 -15.816 1.00 72.21 H new ATOM 0 HG2 LYS A 24 2.644 -8.818 -14.132 1.00 62.43 H new ATOM 0 HG3 LYS A 24 1.341 -9.861 -14.667 1.00 62.43 H new ATOM 0 HD2 LYS A 24 2.028 -9.514 -17.049 1.00 53.44 H new ATOM 0 HD3 LYS A 24 3.319 -8.448 -16.528 1.00 53.44 H new ATOM 0 HE2 LYS A 24 4.293 -10.373 -15.178 1.00 12.12 H new ATOM 0 HE3 LYS A 24 3.056 -11.420 -15.845 1.00 12.12 H new ATOM 0 HZ1 LYS A 24 5.113 -11.606 -17.068 1.00 41.14 H new ATOM 0 HZ2 LYS A 24 3.901 -10.959 -18.066 1.00 41.14 H new ATOM 0 HZ3 LYS A 24 5.100 -9.945 -17.419 1.00 41.14 H new ATOM 397 N GLU A 25 0.929 -4.142 -15.944 1.00 32.54 N ATOM 398 CA GLU A 25 0.135 -2.898 -15.753 1.00 41.15 C ATOM 399 C GLU A 25 -1.327 -3.096 -16.214 1.00 1.52 C ATOM 400 O GLU A 25 -2.228 -2.337 -15.828 1.00 71.11 O ATOM 401 CB GLU A 25 0.766 -1.689 -16.504 1.00 4.42 C ATOM 402 CG GLU A 25 2.288 -1.486 -16.282 1.00 73.11 C ATOM 403 CD GLU A 25 3.167 -2.124 -17.381 1.00 4.35 C ATOM 404 OE1 GLU A 25 3.382 -3.349 -17.354 1.00 61.30 O ATOM 405 OE2 GLU A 25 3.616 -1.402 -18.301 1.00 63.23 O ATOM 0 H GLU A 25 1.619 -4.082 -16.693 1.00 32.54 H new ATOM 0 HA GLU A 25 0.143 -2.678 -14.686 1.00 41.15 H new ATOM 0 HB2 GLU A 25 0.585 -1.812 -17.572 1.00 4.42 H new ATOM 0 HB3 GLU A 25 0.247 -0.781 -16.196 1.00 4.42 H new ATOM 0 HG2 GLU A 25 2.500 -0.418 -16.234 1.00 73.11 H new ATOM 0 HG3 GLU A 25 2.565 -1.909 -15.316 1.00 73.11 H new ATOM 412 N ASP A 26 -1.532 -4.155 -17.020 1.00 74.02 N ATOM 413 CA ASP A 26 -2.836 -4.560 -17.584 1.00 23.42 C ATOM 414 C ASP A 26 -3.870 -4.933 -16.518 1.00 41.15 C ATOM 415 O ASP A 26 -5.056 -5.023 -16.823 1.00 1.22 O ATOM 416 CB ASP A 26 -2.633 -5.773 -18.520 1.00 42.43 C ATOM 417 CG ASP A 26 -1.706 -5.470 -19.689 1.00 53.43 C ATOM 418 OD1 ASP A 26 -0.466 -5.589 -19.528 1.00 2.22 O ATOM 419 OD2 ASP A 26 -2.205 -5.107 -20.771 1.00 31.45 O ATOM 0 H ASP A 26 -0.772 -4.772 -17.306 1.00 74.02 H new ATOM 0 HA ASP A 26 -3.224 -3.697 -18.125 1.00 23.42 H new ATOM 0 HB2 ASP A 26 -2.225 -6.605 -17.945 1.00 42.43 H new ATOM 0 HB3 ASP A 26 -3.601 -6.095 -18.904 1.00 42.43 H new ATOM 424 N GLU A 27 -3.414 -5.170 -15.281 1.00 62.40 N ATOM 425 CA GLU A 27 -4.274 -5.630 -14.166 1.00 73.53 C ATOM 426 C GLU A 27 -4.184 -4.690 -12.948 1.00 60.55 C ATOM 427 O GLU A 27 -4.891 -4.882 -11.949 1.00 50.11 O ATOM 428 CB GLU A 27 -3.860 -7.065 -13.782 1.00 21.30 C ATOM 429 CG GLU A 27 -2.402 -7.214 -13.329 1.00 74.04 C ATOM 430 CD GLU A 27 -2.019 -8.659 -13.010 1.00 44.30 C ATOM 431 OE1 GLU A 27 -1.765 -9.429 -13.959 1.00 71.24 O ATOM 432 OE2 GLU A 27 -2.016 -9.043 -11.821 1.00 62.33 O ATOM 0 H GLU A 27 -2.436 -5.050 -15.017 1.00 62.40 H new ATOM 0 HA GLU A 27 -5.313 -5.618 -14.494 1.00 73.53 H new ATOM 0 HB2 GLU A 27 -4.512 -7.414 -12.981 1.00 21.30 H new ATOM 0 HB3 GLU A 27 -4.028 -7.718 -14.638 1.00 21.30 H new ATOM 0 HG2 GLU A 27 -1.744 -6.834 -14.111 1.00 74.04 H new ATOM 0 HG3 GLU A 27 -2.237 -6.597 -12.446 1.00 74.04 H new ATOM 439 N LEU A 28 -3.310 -3.673 -13.046 1.00 62.32 N ATOM 440 CA LEU A 28 -3.095 -2.717 -11.963 1.00 62.52 C ATOM 441 C LEU A 28 -4.176 -1.616 -11.969 1.00 30.13 C ATOM 442 O LEU A 28 -4.424 -0.988 -13.005 1.00 60.22 O ATOM 443 CB LEU A 28 -1.703 -2.071 -12.090 1.00 35.02 C ATOM 444 CG LEU A 28 -1.374 -1.016 -10.993 1.00 2.14 C ATOM 445 CD1 LEU A 28 -1.264 -1.668 -9.589 1.00 73.53 C ATOM 446 CD2 LEU A 28 -0.117 -0.222 -11.359 1.00 15.12 C ATOM 0 H LEU A 28 -2.741 -3.497 -13.874 1.00 62.32 H new ATOM 0 HA LEU A 28 -3.159 -3.262 -11.021 1.00 62.52 H new ATOM 0 HB2 LEU A 28 -0.948 -2.857 -12.057 1.00 35.02 H new ATOM 0 HB3 LEU A 28 -1.626 -1.595 -13.068 1.00 35.02 H new ATOM 0 HG LEU A 28 -2.203 -0.310 -10.946 1.00 2.14 H new ATOM 0 HD11 LEU A 28 -1.034 -0.902 -8.849 1.00 73.53 H new ATOM 0 HD12 LEU A 28 -2.210 -2.145 -9.334 1.00 73.53 H new ATOM 0 HD13 LEU A 28 -0.471 -2.416 -9.596 1.00 73.53 H new ATOM 0 HD21 LEU A 28 0.092 0.509 -10.578 1.00 15.12 H new ATOM 0 HD22 LEU A 28 0.729 -0.903 -11.455 1.00 15.12 H new ATOM 0 HD23 LEU A 28 -0.276 0.295 -12.306 1.00 15.12 H new ATOM 458 N ASP A 29 -4.776 -1.381 -10.794 1.00 4.14 N ATOM 459 CA ASP A 29 -5.718 -0.265 -10.546 1.00 20.41 C ATOM 460 C ASP A 29 -5.687 0.113 -9.065 1.00 53.21 C ATOM 461 O ASP A 29 -5.113 -0.596 -8.223 1.00 31.23 O ATOM 462 CB ASP A 29 -7.198 -0.591 -10.962 1.00 4.44 C ATOM 463 CG ASP A 29 -7.478 -0.445 -12.465 1.00 62.21 C ATOM 464 OD1 ASP A 29 -7.491 0.702 -12.951 1.00 33.40 O ATOM 465 OD2 ASP A 29 -7.701 -1.458 -13.164 1.00 24.40 O ATOM 0 H ASP A 29 -4.623 -1.966 -9.973 1.00 4.14 H new ATOM 0 HA ASP A 29 -5.386 0.565 -11.170 1.00 20.41 H new ATOM 0 HB2 ASP A 29 -7.432 -1.611 -10.658 1.00 4.44 H new ATOM 0 HB3 ASP A 29 -7.871 0.068 -10.413 1.00 4.44 H new ATOM 470 N ASP A 30 -6.322 1.251 -8.790 1.00 1.44 N ATOM 471 CA ASP A 30 -6.583 1.744 -7.439 1.00 34.40 C ATOM 472 C ASP A 30 -7.674 0.899 -6.758 1.00 34.24 C ATOM 473 O ASP A 30 -7.629 0.665 -5.546 1.00 4.41 O ATOM 474 CB ASP A 30 -7.013 3.230 -7.506 1.00 62.14 C ATOM 475 CG ASP A 30 -8.314 3.468 -8.312 1.00 32.53 C ATOM 476 OD1 ASP A 30 -8.356 3.128 -9.516 1.00 54.35 O ATOM 477 OD2 ASP A 30 -9.293 4.001 -7.757 1.00 11.41 O ATOM 0 H ASP A 30 -6.678 1.871 -9.518 1.00 1.44 H new ATOM 0 HA ASP A 30 -5.672 1.661 -6.847 1.00 34.40 H new ATOM 0 HB2 ASP A 30 -7.151 3.605 -6.492 1.00 62.14 H new ATOM 0 HB3 ASP A 30 -6.207 3.812 -7.954 1.00 62.14 H new ATOM 482 N GLN A 31 -8.657 0.454 -7.563 1.00 25.13 N ATOM 483 CA GLN A 31 -9.794 -0.351 -7.096 1.00 33.44 C ATOM 484 C GLN A 31 -9.492 -1.852 -7.146 1.00 51.02 C ATOM 485 O GLN A 31 -10.273 -2.643 -6.598 1.00 0.50 O ATOM 486 CB GLN A 31 -11.056 -0.034 -7.938 1.00 13.20 C ATOM 487 CG GLN A 31 -11.603 1.386 -7.741 1.00 22.54 C ATOM 488 CD GLN A 31 -12.852 1.665 -8.582 1.00 35.11 C ATOM 489 OE1 GLN A 31 -12.765 2.133 -9.717 1.00 23.14 O ATOM 490 NE2 GLN A 31 -14.021 1.351 -8.041 1.00 1.54 N ATOM 0 H GLN A 31 -8.682 0.647 -8.564 1.00 25.13 H new ATOM 0 HA GLN A 31 -9.977 -0.086 -6.055 1.00 33.44 H new ATOM 0 HB2 GLN A 31 -10.821 -0.178 -8.993 1.00 13.20 H new ATOM 0 HB3 GLN A 31 -11.837 -0.751 -7.685 1.00 13.20 H new ATOM 0 HG2 GLN A 31 -11.839 1.536 -6.688 1.00 22.54 H new ATOM 0 HG3 GLN A 31 -10.828 2.108 -8.000 1.00 22.54 H new ATOM 0 HE21 GLN A 31 -14.059 0.965 -7.098 1.00 1.54 H new ATOM 0 HE22 GLN A 31 -14.882 1.496 -8.568 1.00 1.54 H new ATOM 499 N THR A 32 -8.373 -2.249 -7.810 1.00 63.42 N ATOM 500 CA THR A 32 -7.941 -3.661 -7.832 1.00 31.41 C ATOM 501 C THR A 32 -7.645 -4.136 -6.402 1.00 34.32 C ATOM 502 O THR A 32 -6.761 -3.573 -5.750 1.00 42.33 O ATOM 503 CB THR A 32 -6.668 -3.900 -8.705 1.00 4.24 C ATOM 504 OG1 THR A 32 -6.950 -3.595 -10.072 1.00 4.35 O ATOM 505 CG2 THR A 32 -6.148 -5.354 -8.603 1.00 42.24 C ATOM 0 H THR A 32 -7.765 -1.615 -8.329 1.00 63.42 H new ATOM 0 HA THR A 32 -8.760 -4.227 -8.276 1.00 31.41 H new ATOM 0 HB THR A 32 -5.889 -3.240 -8.323 1.00 4.24 H new ATOM 0 HG1 THR A 32 -6.277 -4.017 -10.647 1.00 4.35 H new ATOM 0 HG21 THR A 32 -5.262 -5.468 -9.228 1.00 42.24 H new ATOM 0 HG22 THR A 32 -5.892 -5.577 -7.567 1.00 42.24 H new ATOM 0 HG23 THR A 32 -6.922 -6.042 -8.942 1.00 42.24 H new ATOM 513 N PRO A 33 -8.384 -5.170 -5.901 1.00 52.10 N ATOM 514 CA PRO A 33 -8.121 -5.746 -4.577 1.00 70.32 C ATOM 515 C PRO A 33 -6.873 -6.644 -4.626 1.00 54.23 C ATOM 516 O PRO A 33 -6.909 -7.757 -5.145 1.00 11.31 O ATOM 517 CB PRO A 33 -9.408 -6.549 -4.300 1.00 55.31 C ATOM 518 CG PRO A 33 -9.926 -6.942 -5.644 1.00 34.13 C ATOM 519 CD PRO A 33 -9.519 -5.845 -6.589 1.00 1.52 C ATOM 0 HA PRO A 33 -7.912 -5.012 -3.799 1.00 70.32 H new ATOM 0 HB2 PRO A 33 -9.200 -7.426 -3.687 1.00 55.31 H new ATOM 0 HB3 PRO A 33 -10.138 -5.947 -3.758 1.00 55.31 H new ATOM 0 HG2 PRO A 33 -9.509 -7.899 -5.957 1.00 34.13 H new ATOM 0 HG3 PRO A 33 -11.010 -7.057 -5.625 1.00 34.13 H new ATOM 0 HD2 PRO A 33 -9.216 -6.245 -7.557 1.00 1.52 H new ATOM 0 HD3 PRO A 33 -10.341 -5.153 -6.773 1.00 1.52 H new ATOM 527 N LEU A 34 -5.765 -6.138 -4.082 1.00 62.12 N ATOM 528 CA LEU A 34 -4.464 -6.821 -4.163 1.00 32.30 C ATOM 529 C LEU A 34 -4.473 -8.120 -3.335 1.00 43.14 C ATOM 530 O LEU A 34 -3.789 -9.078 -3.688 1.00 22.41 O ATOM 531 CB LEU A 34 -3.312 -5.894 -3.711 1.00 72.23 C ATOM 532 CG LEU A 34 -3.090 -4.556 -4.507 1.00 52.23 C ATOM 533 CD1 LEU A 34 -3.157 -4.747 -6.034 1.00 51.21 C ATOM 534 CD2 LEU A 34 -4.028 -3.439 -4.048 1.00 44.13 C ATOM 0 H LEU A 34 -5.739 -5.252 -3.577 1.00 62.12 H new ATOM 0 HA LEU A 34 -4.293 -7.081 -5.208 1.00 32.30 H new ATOM 0 HB2 LEU A 34 -3.480 -5.637 -2.665 1.00 72.23 H new ATOM 0 HB3 LEU A 34 -2.385 -6.466 -3.754 1.00 72.23 H new ATOM 0 HG LEU A 34 -2.072 -4.244 -4.271 1.00 52.23 H new ATOM 0 HD11 LEU A 34 -2.996 -3.789 -6.528 1.00 51.21 H new ATOM 0 HD12 LEU A 34 -2.385 -5.450 -6.347 1.00 51.21 H new ATOM 0 HD13 LEU A 34 -4.137 -5.137 -6.309 1.00 51.21 H new ATOM 0 HD21 LEU A 34 -3.833 -2.538 -4.630 1.00 44.13 H new ATOM 0 HD22 LEU A 34 -5.063 -3.749 -4.195 1.00 44.13 H new ATOM 0 HD23 LEU A 34 -3.858 -3.233 -2.991 1.00 44.13 H new ATOM 546 N LEU A 35 -5.259 -8.149 -2.239 1.00 10.52 N ATOM 547 CA LEU A 35 -5.401 -9.355 -1.392 1.00 32.45 C ATOM 548 C LEU A 35 -6.008 -10.518 -2.187 1.00 21.12 C ATOM 549 O LEU A 35 -5.462 -11.624 -2.230 1.00 74.52 O ATOM 550 CB LEU A 35 -6.331 -9.066 -0.195 1.00 45.13 C ATOM 551 CG LEU A 35 -5.885 -7.974 0.806 1.00 51.51 C ATOM 552 CD1 LEU A 35 -7.053 -7.627 1.743 1.00 53.33 C ATOM 553 CD2 LEU A 35 -4.641 -8.408 1.620 1.00 20.35 C ATOM 0 H LEU A 35 -5.806 -7.350 -1.918 1.00 10.52 H new ATOM 0 HA LEU A 35 -4.404 -9.624 -1.044 1.00 32.45 H new ATOM 0 HB2 LEU A 35 -7.308 -8.784 -0.588 1.00 45.13 H new ATOM 0 HB3 LEU A 35 -6.466 -9.995 0.358 1.00 45.13 H new ATOM 0 HG LEU A 35 -5.600 -7.089 0.238 1.00 51.51 H new ATOM 0 HD11 LEU A 35 -6.738 -6.858 2.448 1.00 53.33 H new ATOM 0 HD12 LEU A 35 -7.894 -7.258 1.155 1.00 53.33 H new ATOM 0 HD13 LEU A 35 -7.357 -8.519 2.291 1.00 53.33 H new ATOM 0 HD21 LEU A 35 -4.362 -7.612 2.310 1.00 20.35 H new ATOM 0 HD22 LEU A 35 -4.872 -9.312 2.183 1.00 20.35 H new ATOM 0 HD23 LEU A 35 -3.812 -8.606 0.940 1.00 20.35 H new ATOM 565 N GLU A 36 -7.139 -10.213 -2.836 1.00 43.34 N ATOM 566 CA GLU A 36 -7.939 -11.179 -3.603 1.00 21.35 C ATOM 567 C GLU A 36 -7.168 -11.656 -4.835 1.00 72.35 C ATOM 568 O GLU A 36 -7.350 -12.790 -5.295 1.00 21.24 O ATOM 569 CB GLU A 36 -9.284 -10.531 -4.030 1.00 42.35 C ATOM 570 CG GLU A 36 -10.331 -10.349 -2.903 1.00 1.55 C ATOM 571 CD GLU A 36 -9.810 -9.670 -1.619 1.00 40.21 C ATOM 572 OE1 GLU A 36 -9.362 -8.511 -1.679 1.00 1.13 O ATOM 573 OE2 GLU A 36 -9.845 -10.293 -0.539 1.00 43.45 O ATOM 0 H GLU A 36 -7.531 -9.272 -2.843 1.00 43.34 H new ATOM 0 HA GLU A 36 -8.145 -12.042 -2.970 1.00 21.35 H new ATOM 0 HB2 GLU A 36 -9.073 -9.554 -4.466 1.00 42.35 H new ATOM 0 HB3 GLU A 36 -9.727 -11.142 -4.817 1.00 42.35 H new ATOM 0 HG2 GLU A 36 -11.162 -9.761 -3.293 1.00 1.55 H new ATOM 0 HG3 GLU A 36 -10.730 -11.328 -2.639 1.00 1.55 H new ATOM 580 N TRP A 37 -6.289 -10.782 -5.351 1.00 22.04 N ATOM 581 CA TRP A 37 -5.474 -11.077 -6.549 1.00 72.34 C ATOM 582 C TRP A 37 -4.122 -11.706 -6.173 1.00 60.35 C ATOM 583 O TRP A 37 -3.272 -11.908 -7.040 1.00 54.24 O ATOM 584 CB TRP A 37 -5.303 -9.791 -7.395 1.00 73.40 C ATOM 585 CG TRP A 37 -6.590 -9.335 -8.077 1.00 5.44 C ATOM 586 CD1 TRP A 37 -7.836 -9.240 -7.527 1.00 23.31 C ATOM 587 CD2 TRP A 37 -6.740 -8.911 -9.434 1.00 21.10 C ATOM 588 NE1 TRP A 37 -8.729 -8.771 -8.440 1.00 30.31 N ATOM 589 CE2 TRP A 37 -8.092 -8.565 -9.620 1.00 75.02 C ATOM 590 CE3 TRP A 37 -5.869 -8.784 -10.501 1.00 42.50 C ATOM 591 CZ2 TRP A 37 -8.586 -8.104 -10.832 1.00 43.21 C ATOM 592 CZ3 TRP A 37 -6.362 -8.332 -11.706 1.00 22.13 C ATOM 593 CH2 TRP A 37 -7.707 -7.993 -11.864 1.00 22.25 C ATOM 0 H TRP A 37 -6.121 -9.857 -4.956 1.00 22.04 H new ATOM 0 HA TRP A 37 -5.997 -11.817 -7.155 1.00 72.34 H new ATOM 0 HB2 TRP A 37 -4.938 -8.989 -6.753 1.00 73.40 H new ATOM 0 HB3 TRP A 37 -4.540 -9.964 -8.154 1.00 73.40 H new ATOM 0 HD1 TRP A 37 -8.079 -9.501 -6.508 1.00 23.31 H new ATOM 0 HE1 TRP A 37 -9.719 -8.601 -8.265 1.00 30.31 H new ATOM 0 HE3 TRP A 37 -4.824 -9.034 -10.392 1.00 42.50 H new ATOM 0 HZ2 TRP A 37 -9.627 -7.844 -10.951 1.00 43.21 H new ATOM 0 HZ3 TRP A 37 -5.692 -8.238 -12.548 1.00 22.13 H new ATOM 0 HH2 TRP A 37 -8.056 -7.637 -12.822 1.00 22.25 H new ATOM 604 N GLY A 38 -3.942 -12.017 -4.875 1.00 24.25 N ATOM 605 CA GLY A 38 -2.763 -12.762 -4.402 1.00 71.32 C ATOM 606 C GLY A 38 -1.475 -11.946 -4.417 1.00 64.33 C ATOM 607 O GLY A 38 -0.373 -12.495 -4.349 1.00 62.51 O ATOM 0 H GLY A 38 -4.599 -11.763 -4.137 1.00 24.25 H new ATOM 0 HA2 GLY A 38 -2.949 -13.112 -3.387 1.00 71.32 H new ATOM 0 HA3 GLY A 38 -2.629 -13.647 -5.025 1.00 71.32 H new ATOM 611 N ILE A 39 -1.628 -10.623 -4.521 1.00 35.15 N ATOM 612 CA ILE A 39 -0.525 -9.665 -4.567 1.00 74.33 C ATOM 613 C ILE A 39 -0.120 -9.296 -3.128 1.00 45.45 C ATOM 614 O ILE A 39 1.038 -9.008 -2.854 1.00 72.04 O ATOM 615 CB ILE A 39 -0.960 -8.396 -5.401 1.00 72.55 C ATOM 616 CG1 ILE A 39 -1.398 -8.822 -6.856 1.00 75.11 C ATOM 617 CG2 ILE A 39 0.157 -7.333 -5.434 1.00 34.21 C ATOM 618 CD1 ILE A 39 -1.892 -7.702 -7.757 1.00 42.43 C ATOM 0 H ILE A 39 -2.545 -10.180 -4.577 1.00 35.15 H new ATOM 0 HA ILE A 39 0.342 -10.103 -5.062 1.00 74.33 H new ATOM 0 HB ILE A 39 -1.818 -7.940 -4.907 1.00 72.55 H new ATOM 0 HG12 ILE A 39 -0.551 -9.306 -7.342 1.00 75.11 H new ATOM 0 HG13 ILE A 39 -2.187 -9.569 -6.772 1.00 75.11 H new ATOM 0 HG21 ILE A 39 -0.176 -6.474 -6.016 1.00 34.21 H new ATOM 0 HG22 ILE A 39 0.387 -7.015 -4.417 1.00 34.21 H new ATOM 0 HG23 ILE A 39 1.050 -7.758 -5.892 1.00 34.21 H new ATOM 0 HD11 ILE A 39 -2.165 -8.111 -8.730 1.00 42.43 H new ATOM 0 HD12 ILE A 39 -2.764 -7.229 -7.305 1.00 42.43 H new ATOM 0 HD13 ILE A 39 -1.102 -6.962 -7.883 1.00 42.43 H new ATOM 630 N LEU A 40 -1.116 -9.313 -2.220 1.00 2.15 N ATOM 631 CA LEU A 40 -0.919 -9.138 -0.772 1.00 3.52 C ATOM 632 C LEU A 40 -1.625 -10.284 -0.026 1.00 61.15 C ATOM 633 O LEU A 40 -2.556 -10.889 -0.571 1.00 13.25 O ATOM 634 CB LEU A 40 -1.513 -7.784 -0.307 1.00 35.14 C ATOM 635 CG LEU A 40 -1.012 -6.516 -1.053 1.00 25.40 C ATOM 636 CD1 LEU A 40 -1.738 -5.257 -0.546 1.00 1.12 C ATOM 637 CD2 LEU A 40 0.512 -6.384 -0.942 1.00 43.40 C ATOM 0 H LEU A 40 -2.093 -9.451 -2.478 1.00 2.15 H new ATOM 0 HA LEU A 40 0.149 -9.149 -0.554 1.00 3.52 H new ATOM 0 HB2 LEU A 40 -2.597 -7.834 -0.408 1.00 35.14 H new ATOM 0 HB3 LEU A 40 -1.297 -7.663 0.755 1.00 35.14 H new ATOM 0 HG LEU A 40 -1.252 -6.622 -2.111 1.00 25.40 H new ATOM 0 HD11 LEU A 40 -1.370 -4.383 -1.084 1.00 1.12 H new ATOM 0 HD12 LEU A 40 -2.810 -5.362 -0.715 1.00 1.12 H new ATOM 0 HD13 LEU A 40 -1.550 -5.133 0.520 1.00 1.12 H new ATOM 0 HD21 LEU A 40 0.839 -5.489 -1.472 1.00 43.40 H new ATOM 0 HD22 LEU A 40 0.795 -6.308 0.108 1.00 43.40 H new ATOM 0 HD23 LEU A 40 0.986 -7.261 -1.383 1.00 43.40 H new ATOM 649 N ASN A 41 -1.173 -10.541 1.219 1.00 55.12 N ATOM 650 CA ASN A 41 -1.735 -11.571 2.137 1.00 52.14 C ATOM 651 C ASN A 41 -0.857 -11.651 3.392 1.00 52.32 C ATOM 652 O ASN A 41 -1.327 -11.546 4.524 1.00 22.44 O ATOM 653 CB ASN A 41 -1.788 -12.993 1.477 1.00 21.50 C ATOM 654 CG ASN A 41 -2.243 -14.126 2.414 1.00 11.01 C ATOM 655 OD1 ASN A 41 -3.052 -13.929 3.328 1.00 11.23 O ATOM 656 ND2 ASN A 41 -1.731 -15.325 2.186 1.00 12.10 N ATOM 0 H ASN A 41 -0.391 -10.031 1.629 1.00 55.12 H new ATOM 0 HA ASN A 41 -2.755 -11.273 2.381 1.00 52.14 H new ATOM 0 HB2 ASN A 41 -2.463 -12.956 0.622 1.00 21.50 H new ATOM 0 HB3 ASN A 41 -0.798 -13.236 1.091 1.00 21.50 H new ATOM 0 HD21 ASN A 41 -2.002 -16.115 2.771 1.00 12.10 H new ATOM 0 HD22 ASN A 41 -1.065 -15.459 1.425 1.00 12.10 H new ATOM 663 N SER A 42 0.430 -11.823 3.137 1.00 3.14 N ATOM 664 CA SER A 42 1.453 -12.194 4.131 1.00 23.43 C ATOM 665 C SER A 42 2.809 -11.835 3.496 1.00 44.41 C ATOM 666 O SER A 42 2.792 -11.090 2.518 1.00 33.31 O ATOM 667 CB SER A 42 1.267 -13.704 4.451 1.00 14.41 C ATOM 668 OG SER A 42 2.175 -14.281 5.384 1.00 43.53 O ATOM 0 H SER A 42 0.816 -11.706 2.200 1.00 3.14 H new ATOM 0 HA SER A 42 1.381 -11.668 5.083 1.00 23.43 H new ATOM 0 HB2 SER A 42 0.255 -13.849 4.829 1.00 14.41 H new ATOM 0 HB3 SER A 42 1.341 -14.261 3.517 1.00 14.41 H new ATOM 673 N MET A 43 3.933 -12.396 4.022 1.00 71.00 N ATOM 674 CA MET A 43 5.364 -12.111 3.663 1.00 51.22 C ATOM 675 C MET A 43 5.642 -10.795 2.871 1.00 10.22 C ATOM 676 O MET A 43 6.280 -9.869 3.386 1.00 52.41 O ATOM 677 CB MET A 43 6.035 -13.354 2.981 1.00 12.12 C ATOM 678 CG MET A 43 5.322 -13.862 1.726 1.00 71.22 C ATOM 679 SD MET A 43 3.720 -14.620 2.074 1.00 2.13 S ATOM 680 CE MET A 43 2.736 -14.008 0.706 1.00 21.42 C ATOM 0 H MET A 43 3.867 -13.104 4.754 1.00 71.00 H new ATOM 0 HA MET A 43 5.838 -11.921 4.626 1.00 51.22 H new ATOM 0 HB2 MET A 43 7.061 -13.097 2.719 1.00 12.12 H new ATOM 0 HB3 MET A 43 6.085 -14.166 3.707 1.00 12.12 H new ATOM 0 HG2 MET A 43 5.181 -13.031 1.035 1.00 71.22 H new ATOM 0 HG3 MET A 43 5.959 -14.590 1.224 1.00 71.22 H new ATOM 0 HE1 MET A 43 1.951 -14.728 0.472 1.00 21.42 H new ATOM 0 HE2 MET A 43 2.284 -13.055 0.981 1.00 21.42 H new ATOM 0 HE3 MET A 43 3.373 -13.869 -0.167 1.00 21.42 H new ATOM 690 N ASN A 44 5.146 -10.712 1.625 1.00 42.43 N ATOM 691 CA ASN A 44 5.447 -9.601 0.701 1.00 5.02 C ATOM 692 C ASN A 44 4.666 -8.305 1.039 1.00 22.11 C ATOM 693 O ASN A 44 4.986 -7.224 0.532 1.00 64.41 O ATOM 694 CB ASN A 44 5.199 -10.045 -0.757 1.00 63.25 C ATOM 695 CG ASN A 44 3.745 -10.392 -1.097 1.00 10.24 C ATOM 696 OD1 ASN A 44 2.964 -10.808 -0.245 1.00 4.03 O ATOM 697 ND2 ASN A 44 3.371 -10.237 -2.357 1.00 71.43 N ATOM 0 H ASN A 44 4.523 -11.415 1.227 1.00 42.43 H new ATOM 0 HA ASN A 44 6.501 -9.353 0.823 1.00 5.02 H new ATOM 0 HB2 ASN A 44 5.531 -9.249 -1.423 1.00 63.25 H new ATOM 0 HB3 ASN A 44 5.821 -10.915 -0.965 1.00 63.25 H new ATOM 0 HD21 ASN A 44 2.417 -10.465 -2.638 1.00 71.43 H new ATOM 0 HD22 ASN A 44 4.037 -9.890 -3.048 1.00 71.43 H new ATOM 704 N ILE A 45 3.670 -8.415 1.926 1.00 71.15 N ATOM 705 CA ILE A 45 2.851 -7.277 2.389 1.00 21.11 C ATOM 706 C ILE A 45 3.638 -6.426 3.418 1.00 70.23 C ATOM 707 O ILE A 45 3.333 -5.255 3.654 1.00 64.42 O ATOM 708 CB ILE A 45 1.502 -7.797 3.014 1.00 3.34 C ATOM 709 CG1 ILE A 45 0.429 -6.665 3.073 1.00 45.32 C ATOM 710 CG2 ILE A 45 1.726 -8.423 4.422 1.00 45.40 C ATOM 711 CD1 ILE A 45 -0.926 -7.124 3.577 1.00 63.13 C ATOM 0 H ILE A 45 3.403 -9.304 2.350 1.00 71.15 H new ATOM 0 HA ILE A 45 2.615 -6.645 1.533 1.00 21.11 H new ATOM 0 HB ILE A 45 1.126 -8.582 2.359 1.00 3.34 H new ATOM 0 HG12 ILE A 45 0.794 -5.866 3.719 1.00 45.32 H new ATOM 0 HG13 ILE A 45 0.309 -6.240 2.077 1.00 45.32 H new ATOM 0 HG21 ILE A 45 0.773 -8.770 4.821 1.00 45.40 H new ATOM 0 HG22 ILE A 45 2.414 -9.265 4.341 1.00 45.40 H new ATOM 0 HG23 ILE A 45 2.148 -7.673 5.091 1.00 45.40 H new ATOM 0 HD11 ILE A 45 -1.615 -6.280 3.588 1.00 63.13 H new ATOM 0 HD12 ILE A 45 -1.315 -7.901 2.919 1.00 63.13 H new ATOM 0 HD13 ILE A 45 -0.823 -7.522 4.587 1.00 63.13 H new ATOM 723 N VAL A 46 4.673 -7.050 4.004 1.00 44.34 N ATOM 724 CA VAL A 46 5.517 -6.442 5.044 1.00 11.44 C ATOM 725 C VAL A 46 6.473 -5.397 4.433 1.00 51.41 C ATOM 726 O VAL A 46 6.943 -4.472 5.113 1.00 62.52 O ATOM 727 CB VAL A 46 6.301 -7.567 5.815 1.00 62.35 C ATOM 728 CG1 VAL A 46 7.124 -6.996 6.992 1.00 64.32 C ATOM 729 CG2 VAL A 46 5.322 -8.667 6.305 1.00 52.43 C ATOM 0 H VAL A 46 4.950 -8.002 3.765 1.00 44.34 H new ATOM 0 HA VAL A 46 4.883 -5.917 5.758 1.00 11.44 H new ATOM 0 HB VAL A 46 7.010 -8.013 5.118 1.00 62.35 H new ATOM 0 HG11 VAL A 46 7.649 -7.807 7.496 1.00 64.32 H new ATOM 0 HG12 VAL A 46 7.848 -6.275 6.613 1.00 64.32 H new ATOM 0 HG13 VAL A 46 6.456 -6.502 7.698 1.00 64.32 H new ATOM 0 HG21 VAL A 46 5.879 -9.439 6.837 1.00 52.43 H new ATOM 0 HG22 VAL A 46 4.584 -8.225 6.975 1.00 52.43 H new ATOM 0 HG23 VAL A 46 4.815 -9.111 5.448 1.00 52.43 H new ATOM 739 N LYS A 47 6.701 -5.537 3.114 1.00 55.04 N ATOM 740 CA LYS A 47 7.502 -4.588 2.326 1.00 13.55 C ATOM 741 C LYS A 47 6.840 -3.198 2.318 1.00 11.34 C ATOM 742 O LYS A 47 7.525 -2.176 2.237 1.00 41.33 O ATOM 743 CB LYS A 47 7.722 -5.106 0.872 1.00 34.23 C ATOM 744 CG LYS A 47 8.778 -6.228 0.732 1.00 1.44 C ATOM 745 CD LYS A 47 8.354 -7.536 1.424 1.00 4.10 C ATOM 746 CE LYS A 47 9.383 -8.660 1.275 1.00 63.24 C ATOM 747 NZ LYS A 47 10.644 -8.354 1.981 1.00 12.54 N ATOM 0 H LYS A 47 6.333 -6.314 2.565 1.00 55.04 H new ATOM 0 HA LYS A 47 8.481 -4.500 2.798 1.00 13.55 H new ATOM 0 HB2 LYS A 47 6.771 -5.472 0.485 1.00 34.23 H new ATOM 0 HB3 LYS A 47 8.020 -4.266 0.244 1.00 34.23 H new ATOM 0 HG2 LYS A 47 8.956 -6.423 -0.326 1.00 1.44 H new ATOM 0 HG3 LYS A 47 9.722 -5.887 1.157 1.00 1.44 H new ATOM 0 HD2 LYS A 47 8.189 -7.342 2.484 1.00 4.10 H new ATOM 0 HD3 LYS A 47 7.402 -7.867 1.009 1.00 4.10 H new ATOM 0 HE2 LYS A 47 8.965 -9.588 1.665 1.00 63.24 H new ATOM 0 HE3 LYS A 47 9.590 -8.824 0.217 1.00 63.24 H new ATOM 0 HZ1 LYS A 47 11.287 -9.168 1.912 1.00 12.54 H new ATOM 0 HZ2 LYS A 47 11.092 -7.521 1.547 1.00 12.54 H new ATOM 0 HZ3 LYS A 47 10.442 -8.156 2.982 1.00 12.54 H new ATOM 761 N LEU A 48 5.497 -3.183 2.430 1.00 22.02 N ATOM 762 CA LEU A 48 4.697 -1.939 2.466 1.00 71.42 C ATOM 763 C LEU A 48 4.907 -1.188 3.787 1.00 12.41 C ATOM 764 O LEU A 48 4.987 0.041 3.785 1.00 24.40 O ATOM 765 CB LEU A 48 3.182 -2.225 2.245 1.00 55.21 C ATOM 766 CG LEU A 48 2.757 -2.635 0.789 1.00 30.40 C ATOM 767 CD1 LEU A 48 3.123 -1.528 -0.239 1.00 23.53 C ATOM 768 CD2 LEU A 48 3.347 -4.008 0.369 1.00 34.35 C ATOM 0 H LEU A 48 4.935 -4.032 2.498 1.00 22.02 H new ATOM 0 HA LEU A 48 5.045 -1.309 1.647 1.00 71.42 H new ATOM 0 HB2 LEU A 48 2.881 -3.021 2.926 1.00 55.21 H new ATOM 0 HB3 LEU A 48 2.621 -1.334 2.527 1.00 55.21 H new ATOM 0 HG LEU A 48 1.672 -2.743 0.795 1.00 30.40 H new ATOM 0 HD11 LEU A 48 2.816 -1.842 -1.237 1.00 23.53 H new ATOM 0 HD12 LEU A 48 2.610 -0.603 0.024 1.00 23.53 H new ATOM 0 HD13 LEU A 48 4.200 -1.362 -0.226 1.00 23.53 H new ATOM 0 HD21 LEU A 48 3.025 -4.248 -0.644 1.00 34.35 H new ATOM 0 HD22 LEU A 48 4.436 -3.962 0.403 1.00 34.35 H new ATOM 0 HD23 LEU A 48 2.995 -4.780 1.053 1.00 34.35 H new ATOM 780 N MET A 49 5.031 -1.945 4.898 1.00 31.45 N ATOM 781 CA MET A 49 5.190 -1.367 6.260 1.00 52.51 C ATOM 782 C MET A 49 6.438 -0.469 6.312 1.00 34.21 C ATOM 783 O MET A 49 6.372 0.696 6.725 1.00 0.24 O ATOM 784 CB MET A 49 5.339 -2.476 7.347 1.00 73.20 C ATOM 785 CG MET A 49 4.276 -3.577 7.328 1.00 52.21 C ATOM 786 SD MET A 49 4.596 -4.826 8.602 1.00 12.32 S ATOM 787 CE MET A 49 3.442 -6.131 8.178 1.00 43.52 C ATOM 0 H MET A 49 5.025 -2.965 4.883 1.00 31.45 H new ATOM 0 HA MET A 49 4.291 -0.787 6.468 1.00 52.51 H new ATOM 0 HB2 MET A 49 6.318 -2.941 7.232 1.00 73.20 H new ATOM 0 HB3 MET A 49 5.325 -2.001 8.328 1.00 73.20 H new ATOM 0 HG2 MET A 49 3.291 -3.137 7.487 1.00 52.21 H new ATOM 0 HG3 MET A 49 4.259 -4.052 6.347 1.00 52.21 H new ATOM 0 HE1 MET A 49 3.847 -7.092 8.496 1.00 43.52 H new ATOM 0 HE2 MET A 49 2.491 -5.953 8.681 1.00 43.52 H new ATOM 0 HE3 MET A 49 3.286 -6.142 7.099 1.00 43.52 H new ATOM 797 N VAL A 50 7.563 -1.039 5.851 1.00 21.14 N ATOM 798 CA VAL A 50 8.872 -0.363 5.858 1.00 72.14 C ATOM 799 C VAL A 50 8.953 0.717 4.755 1.00 44.20 C ATOM 800 O VAL A 50 9.664 1.719 4.912 1.00 44.14 O ATOM 801 CB VAL A 50 10.057 -1.398 5.709 1.00 24.32 C ATOM 802 CG1 VAL A 50 10.002 -2.157 4.358 1.00 62.51 C ATOM 803 CG2 VAL A 50 11.439 -0.722 5.905 1.00 13.21 C ATOM 0 H VAL A 50 7.591 -1.982 5.463 1.00 21.14 H new ATOM 0 HA VAL A 50 8.975 0.131 6.824 1.00 72.14 H new ATOM 0 HB VAL A 50 9.928 -2.133 6.504 1.00 24.32 H new ATOM 0 HG11 VAL A 50 10.835 -2.857 4.300 1.00 62.51 H new ATOM 0 HG12 VAL A 50 9.062 -2.705 4.286 1.00 62.51 H new ATOM 0 HG13 VAL A 50 10.070 -1.443 3.537 1.00 62.51 H new ATOM 0 HG21 VAL A 50 12.227 -1.467 5.795 1.00 13.21 H new ATOM 0 HG22 VAL A 50 11.571 0.060 5.157 1.00 13.21 H new ATOM 0 HG23 VAL A 50 11.491 -0.283 6.901 1.00 13.21 H new ATOM 813 N TYR A 51 8.193 0.514 3.653 1.00 14.11 N ATOM 814 CA TYR A 51 8.189 1.448 2.510 1.00 10.42 C ATOM 815 C TYR A 51 7.651 2.802 2.942 1.00 4.30 C ATOM 816 O TYR A 51 8.318 3.814 2.806 1.00 50.33 O ATOM 817 CB TYR A 51 7.318 0.925 1.340 1.00 42.03 C ATOM 818 CG TYR A 51 7.458 1.783 0.068 1.00 41.45 C ATOM 819 CD1 TYR A 51 8.641 1.760 -0.667 1.00 15.21 C ATOM 820 CD2 TYR A 51 6.426 2.608 -0.383 1.00 4.41 C ATOM 821 CE1 TYR A 51 8.789 2.521 -1.808 1.00 45.50 C ATOM 822 CE2 TYR A 51 6.568 3.370 -1.523 1.00 73.11 C ATOM 823 CZ TYR A 51 7.745 3.325 -2.235 1.00 34.40 C ATOM 824 OH TYR A 51 7.885 4.095 -3.369 1.00 3.24 O ATOM 0 H TYR A 51 7.576 -0.289 3.535 1.00 14.11 H new ATOM 0 HA TYR A 51 9.220 1.537 2.167 1.00 10.42 H new ATOM 0 HB2 TYR A 51 7.600 -0.103 1.113 1.00 42.03 H new ATOM 0 HB3 TYR A 51 6.273 0.908 1.649 1.00 42.03 H new ATOM 0 HD1 TYR A 51 9.458 1.135 -0.337 1.00 15.21 H new ATOM 0 HD2 TYR A 51 5.500 2.650 0.171 1.00 4.41 H new ATOM 0 HE1 TYR A 51 9.714 2.490 -2.365 1.00 45.50 H new ATOM 0 HE2 TYR A 51 5.757 4.001 -1.857 1.00 73.11 H new ATOM 0 HH TYR A 51 7.927 5.042 -3.119 1.00 3.24 H new ATOM 834 N ILE A 52 6.434 2.762 3.482 1.00 50.22 N ATOM 835 CA ILE A 52 5.667 3.944 3.901 1.00 34.22 C ATOM 836 C ILE A 52 6.385 4.681 5.054 1.00 62.54 C ATOM 837 O ILE A 52 6.295 5.911 5.185 1.00 44.14 O ATOM 838 CB ILE A 52 4.214 3.481 4.286 1.00 32.11 C ATOM 839 CG1 ILE A 52 3.556 2.773 3.050 1.00 44.54 C ATOM 840 CG2 ILE A 52 3.347 4.658 4.776 1.00 65.22 C ATOM 841 CD1 ILE A 52 2.355 1.906 3.359 1.00 12.41 C ATOM 0 H ILE A 52 5.937 1.886 3.646 1.00 50.22 H new ATOM 0 HA ILE A 52 5.595 4.663 3.085 1.00 34.22 H new ATOM 0 HB ILE A 52 4.281 2.777 5.115 1.00 32.11 H new ATOM 0 HG12 ILE A 52 3.256 3.537 2.333 1.00 44.54 H new ATOM 0 HG13 ILE A 52 4.311 2.157 2.562 1.00 44.54 H new ATOM 0 HG21 ILE A 52 2.352 4.295 5.032 1.00 65.22 H new ATOM 0 HG22 ILE A 52 3.807 5.107 5.657 1.00 65.22 H new ATOM 0 HG23 ILE A 52 3.269 5.406 3.987 1.00 65.22 H new ATOM 0 HD11 ILE A 52 1.978 1.465 2.436 1.00 12.41 H new ATOM 0 HD12 ILE A 52 2.646 1.113 4.048 1.00 12.41 H new ATOM 0 HD13 ILE A 52 1.575 2.515 3.816 1.00 12.41 H new ATOM 853 N ARG A 53 7.135 3.902 5.853 1.00 43.32 N ATOM 854 CA ARG A 53 8.035 4.435 6.894 1.00 12.32 C ATOM 855 C ARG A 53 9.203 5.248 6.283 1.00 51.34 C ATOM 856 O ARG A 53 9.585 6.292 6.809 1.00 61.23 O ATOM 857 CB ARG A 53 8.589 3.275 7.755 1.00 73.44 C ATOM 858 CG ARG A 53 9.543 3.724 8.876 1.00 43.11 C ATOM 859 CD ARG A 53 10.113 2.553 9.683 1.00 2.42 C ATOM 860 NE ARG A 53 10.964 3.033 10.782 1.00 53.35 N ATOM 861 CZ ARG A 53 10.679 2.920 12.091 1.00 51.34 C ATOM 862 NH1 ARG A 53 9.559 2.339 12.499 1.00 25.23 N ATOM 863 NH2 ARG A 53 11.512 3.420 12.986 1.00 34.45 N ATOM 0 H ARG A 53 7.135 2.884 5.796 1.00 43.32 H new ATOM 0 HA ARG A 53 7.455 5.112 7.522 1.00 12.32 H new ATOM 0 HB2 ARG A 53 7.753 2.735 8.199 1.00 73.44 H new ATOM 0 HB3 ARG A 53 9.113 2.573 7.106 1.00 73.44 H new ATOM 0 HG2 ARG A 53 10.365 4.292 8.440 1.00 43.11 H new ATOM 0 HG3 ARG A 53 9.012 4.397 9.549 1.00 43.11 H new ATOM 0 HD2 ARG A 53 9.297 1.953 10.086 1.00 2.42 H new ATOM 0 HD3 ARG A 53 10.692 1.903 9.027 1.00 2.42 H new ATOM 0 HE ARG A 53 11.841 3.488 10.531 1.00 53.35 H new ATOM 0 HH11 ARG A 53 8.898 1.969 11.816 1.00 25.23 H new ATOM 0 HH12 ARG A 53 9.359 2.262 13.496 1.00 25.23 H new ATOM 0 HH21 ARG A 53 12.366 3.889 12.682 1.00 34.45 H new ATOM 0 HH22 ARG A 53 11.302 3.338 13.981 1.00 34.45 H new ATOM 877 N ASP A 54 9.761 4.752 5.172 1.00 63.41 N ATOM 878 CA ASP A 54 10.905 5.400 4.478 1.00 21.02 C ATOM 879 C ASP A 54 10.417 6.527 3.535 1.00 33.04 C ATOM 880 O ASP A 54 11.142 7.492 3.261 1.00 14.34 O ATOM 881 CB ASP A 54 11.707 4.324 3.691 1.00 70.31 C ATOM 882 CG ASP A 54 12.925 4.880 2.929 1.00 62.30 C ATOM 883 OD1 ASP A 54 13.903 5.300 3.584 1.00 42.40 O ATOM 884 OD2 ASP A 54 12.902 4.934 1.679 1.00 22.51 O ATOM 0 H ASP A 54 9.441 3.894 4.722 1.00 63.41 H new ATOM 0 HA ASP A 54 11.558 5.858 5.221 1.00 21.02 H new ATOM 0 HB2 ASP A 54 12.047 3.558 4.388 1.00 70.31 H new ATOM 0 HB3 ASP A 54 11.039 3.836 2.981 1.00 70.31 H new ATOM 889 N GLU A 55 9.165 6.394 3.074 1.00 23.33 N ATOM 890 CA GLU A 55 8.572 7.266 2.048 1.00 24.02 C ATOM 891 C GLU A 55 7.947 8.513 2.686 1.00 61.12 C ATOM 892 O GLU A 55 8.374 9.642 2.415 1.00 11.32 O ATOM 893 CB GLU A 55 7.508 6.453 1.245 1.00 45.10 C ATOM 894 CG GLU A 55 6.751 7.233 0.152 1.00 30.34 C ATOM 895 CD GLU A 55 7.662 7.820 -0.938 1.00 22.23 C ATOM 896 OE1 GLU A 55 8.023 7.093 -1.883 1.00 53.23 O ATOM 897 OE2 GLU A 55 8.009 9.024 -0.868 1.00 54.22 O ATOM 0 H GLU A 55 8.528 5.670 3.406 1.00 23.33 H new ATOM 0 HA GLU A 55 9.352 7.607 1.367 1.00 24.02 H new ATOM 0 HB2 GLU A 55 8.005 5.602 0.779 1.00 45.10 H new ATOM 0 HB3 GLU A 55 6.779 6.051 1.949 1.00 45.10 H new ATOM 0 HG2 GLU A 55 6.023 6.570 -0.315 1.00 30.34 H new ATOM 0 HG3 GLU A 55 6.191 8.043 0.619 1.00 30.34 H new ATOM 904 N MET A 56 6.945 8.287 3.540 1.00 12.24 N ATOM 905 CA MET A 56 6.146 9.359 4.178 1.00 1.44 C ATOM 906 C MET A 56 6.497 9.520 5.665 1.00 75.03 C ATOM 907 O MET A 56 5.904 10.351 6.363 1.00 22.52 O ATOM 908 CB MET A 56 4.639 9.043 3.973 1.00 43.41 C ATOM 909 CG MET A 56 4.135 9.307 2.545 1.00 12.14 C ATOM 910 SD MET A 56 2.577 8.462 2.185 1.00 41.14 S ATOM 911 CE MET A 56 3.160 6.824 1.732 1.00 63.41 C ATOM 0 H MET A 56 6.656 7.349 3.816 1.00 12.24 H new ATOM 0 HA MET A 56 6.381 10.314 3.707 1.00 1.44 H new ATOM 0 HB2 MET A 56 4.460 7.997 4.223 1.00 43.41 H new ATOM 0 HB3 MET A 56 4.054 9.642 4.671 1.00 43.41 H new ATOM 0 HG2 MET A 56 4.002 10.380 2.404 1.00 12.14 H new ATOM 0 HG3 MET A 56 4.892 8.983 1.831 1.00 12.14 H new ATOM 0 HE1 MET A 56 2.377 6.092 1.930 1.00 63.41 H new ATOM 0 HE2 MET A 56 3.412 6.808 0.672 1.00 63.41 H new ATOM 0 HE3 MET A 56 4.045 6.577 2.319 1.00 63.41 H new ATOM 921 N GLY A 57 7.471 8.721 6.134 1.00 33.31 N ATOM 922 CA GLY A 57 7.968 8.816 7.505 1.00 22.51 C ATOM 923 C GLY A 57 7.072 8.145 8.530 1.00 30.24 C ATOM 924 O GLY A 57 7.283 8.310 9.731 1.00 14.44 O ATOM 0 H GLY A 57 7.928 8.000 5.575 1.00 33.31 H new ATOM 0 HA2 GLY A 57 8.960 8.367 7.554 1.00 22.51 H new ATOM 0 HA3 GLY A 57 8.081 9.868 7.768 1.00 22.51 H new ATOM 928 N VAL A 58 6.087 7.366 8.068 1.00 70.12 N ATOM 929 CA VAL A 58 5.055 6.787 8.945 1.00 52.04 C ATOM 930 C VAL A 58 4.976 5.261 8.743 1.00 61.53 C ATOM 931 O VAL A 58 4.736 4.780 7.639 1.00 60.54 O ATOM 932 CB VAL A 58 3.651 7.468 8.689 1.00 0.13 C ATOM 933 CG1 VAL A 58 3.227 7.401 7.200 1.00 4.25 C ATOM 934 CG2 VAL A 58 2.562 6.867 9.605 1.00 14.42 C ATOM 0 H VAL A 58 5.980 7.119 7.084 1.00 70.12 H new ATOM 0 HA VAL A 58 5.333 6.981 9.981 1.00 52.04 H new ATOM 0 HB VAL A 58 3.762 8.523 8.941 1.00 0.13 H new ATOM 0 HG11 VAL A 58 2.257 7.882 7.076 1.00 4.25 H new ATOM 0 HG12 VAL A 58 3.968 7.915 6.587 1.00 4.25 H new ATOM 0 HG13 VAL A 58 3.158 6.359 6.888 1.00 4.25 H new ATOM 0 HG21 VAL A 58 1.608 7.356 9.405 1.00 14.42 H new ATOM 0 HG22 VAL A 58 2.470 5.799 9.409 1.00 14.42 H new ATOM 0 HG23 VAL A 58 2.838 7.022 10.648 1.00 14.42 H new ATOM 944 N SER A 59 5.223 4.511 9.814 1.00 61.14 N ATOM 945 CA SER A 59 5.072 3.055 9.812 1.00 74.32 C ATOM 946 C SER A 59 3.580 2.708 9.902 1.00 3.41 C ATOM 947 O SER A 59 2.830 3.397 10.612 1.00 55.14 O ATOM 948 CB SER A 59 5.823 2.466 11.026 1.00 13.50 C ATOM 949 OG SER A 59 7.171 2.886 11.041 1.00 73.24 O ATOM 0 H SER A 59 5.533 4.893 10.707 1.00 61.14 H new ATOM 0 HA SER A 59 5.487 2.636 8.895 1.00 74.32 H new ATOM 0 HB2 SER A 59 5.331 2.777 11.948 1.00 13.50 H new ATOM 0 HB3 SER A 59 5.778 1.377 10.992 1.00 13.50 H new ATOM 0 HG SER A 59 7.310 3.513 11.782 1.00 73.24 H new ATOM 955 N ILE A 60 3.144 1.676 9.155 1.00 13.33 N ATOM 956 CA ILE A 60 1.854 1.021 9.424 1.00 41.41 C ATOM 957 C ILE A 60 2.043 0.154 10.680 1.00 71.13 C ATOM 958 O ILE A 60 2.787 -0.839 10.615 1.00 21.02 O ATOM 959 CB ILE A 60 1.340 0.096 8.252 1.00 51.21 C ATOM 960 CG1 ILE A 60 1.252 0.851 6.884 1.00 2.11 C ATOM 961 CG2 ILE A 60 -0.049 -0.502 8.633 1.00 32.34 C ATOM 962 CD1 ILE A 60 -0.005 1.687 6.705 1.00 61.32 C ATOM 0 H ILE A 60 3.661 1.283 8.369 1.00 13.33 H new ATOM 0 HA ILE A 60 1.105 1.804 9.544 1.00 41.41 H new ATOM 0 HB ILE A 60 2.067 -0.705 8.120 1.00 51.21 H new ATOM 0 HG12 ILE A 60 2.122 1.500 6.785 1.00 2.11 H new ATOM 0 HG13 ILE A 60 1.306 0.121 6.076 1.00 2.11 H new ATOM 0 HG21 ILE A 60 -0.404 -1.141 7.824 1.00 32.34 H new ATOM 0 HG22 ILE A 60 0.046 -1.091 9.545 1.00 32.34 H new ATOM 0 HG23 ILE A 60 -0.761 0.307 8.796 1.00 32.34 H new ATOM 0 HD11 ILE A 60 0.018 2.174 5.730 1.00 61.32 H new ATOM 0 HD12 ILE A 60 -0.882 1.043 6.768 1.00 61.32 H new ATOM 0 HD13 ILE A 60 -0.053 2.444 7.488 1.00 61.32 H new ATOM 974 N PRO A 61 1.410 0.515 11.837 1.00 23.31 N ATOM 975 CA PRO A 61 1.551 -0.259 13.091 1.00 11.02 C ATOM 976 C PRO A 61 0.959 -1.673 12.955 1.00 51.42 C ATOM 977 O PRO A 61 0.108 -1.912 12.089 1.00 52.40 O ATOM 978 CB PRO A 61 0.782 0.603 14.119 1.00 52.02 C ATOM 979 CG PRO A 61 -0.175 1.420 13.321 1.00 64.35 C ATOM 980 CD PRO A 61 0.516 1.695 12.010 1.00 35.01 C ATOM 0 HA PRO A 61 2.588 -0.430 13.378 1.00 11.02 H new ATOM 0 HB2 PRO A 61 0.256 -0.023 14.840 1.00 52.02 H new ATOM 0 HB3 PRO A 61 1.463 1.239 14.685 1.00 52.02 H new ATOM 0 HG2 PRO A 61 -1.111 0.884 13.165 1.00 64.35 H new ATOM 0 HG3 PRO A 61 -0.421 2.349 13.836 1.00 64.35 H new ATOM 0 HD2 PRO A 61 -0.197 1.782 11.190 1.00 35.01 H new ATOM 0 HD3 PRO A 61 1.081 2.626 12.041 1.00 35.01 H new ATOM 988 N SER A 62 1.401 -2.598 13.826 1.00 62.22 N ATOM 989 CA SER A 62 1.013 -4.023 13.743 1.00 71.22 C ATOM 990 C SER A 62 -0.496 -4.225 14.029 1.00 11.14 C ATOM 991 O SER A 62 -1.089 -5.222 13.601 1.00 44.05 O ATOM 992 CB SER A 62 1.893 -4.882 14.681 1.00 21.44 C ATOM 993 OG SER A 62 1.807 -4.447 16.029 1.00 73.31 O ATOM 0 H SER A 62 2.030 -2.385 14.600 1.00 62.22 H new ATOM 0 HA SER A 62 1.185 -4.358 12.720 1.00 71.22 H new ATOM 0 HB2 SER A 62 1.584 -5.925 14.615 1.00 21.44 H new ATOM 0 HB3 SER A 62 2.930 -4.836 14.350 1.00 21.44 H new ATOM 0 HG SER A 62 2.374 -5.014 16.592 1.00 73.31 H new ATOM 999 N THR A 63 -1.111 -3.254 14.730 1.00 43.41 N ATOM 1000 CA THR A 63 -2.569 -3.218 14.973 1.00 1.42 C ATOM 1001 C THR A 63 -3.353 -2.798 13.699 1.00 73.11 C ATOM 1002 O THR A 63 -4.553 -3.054 13.577 1.00 72.25 O ATOM 1003 CB THR A 63 -2.899 -2.250 16.162 1.00 31.05 C ATOM 1004 OG1 THR A 63 -4.308 -2.254 16.448 1.00 25.42 O ATOM 1005 CG2 THR A 63 -2.433 -0.804 15.895 1.00 53.04 C ATOM 0 H THR A 63 -0.610 -2.469 15.146 1.00 43.41 H new ATOM 0 HA THR A 63 -2.886 -4.227 15.237 1.00 1.42 H new ATOM 0 HB THR A 63 -2.348 -2.624 17.025 1.00 31.05 H new ATOM 0 HG1 THR A 63 -4.492 -1.645 17.193 1.00 25.42 H new ATOM 0 HG21 THR A 63 -2.686 -0.176 16.750 1.00 53.04 H new ATOM 0 HG22 THR A 63 -1.354 -0.792 15.743 1.00 53.04 H new ATOM 0 HG23 THR A 63 -2.929 -0.421 15.004 1.00 53.04 H new ATOM 1013 N HIS A 64 -2.649 -2.133 12.764 1.00 12.20 N ATOM 1014 CA HIS A 64 -3.214 -1.661 11.478 1.00 15.34 C ATOM 1015 C HIS A 64 -2.750 -2.514 10.302 1.00 51.43 C ATOM 1016 O HIS A 64 -3.063 -2.208 9.145 1.00 54.31 O ATOM 1017 CB HIS A 64 -2.907 -0.154 11.284 1.00 33.22 C ATOM 1018 CG HIS A 64 -3.832 0.745 12.078 1.00 44.23 C ATOM 1019 ND1 HIS A 64 -4.078 2.066 11.967 1.00 33.42 N flip ATOM 1020 CD2 HIS A 64 -4.704 0.281 13.053 1.00 31.34 C flip ATOM 1021 CE1 HIS A 64 -5.085 2.367 12.847 1.00 54.22 C flip ATOM 1022 NE2 HIS A 64 -5.444 1.277 13.487 1.00 25.32 N flip ATOM 0 H HIS A 64 -1.662 -1.904 12.878 1.00 12.20 H new ATOM 0 HA HIS A 64 -4.297 -1.777 11.513 1.00 15.34 H new ATOM 0 HB2 HIS A 64 -1.876 0.042 11.580 1.00 33.22 H new ATOM 0 HB3 HIS A 64 -2.988 0.094 10.226 1.00 33.22 H new ATOM 0 HD2 HIS A 64 -4.765 -0.740 13.401 1.00 31.34 H new ATOM 0 HE1 HIS A 64 -5.516 3.347 12.992 1.00 54.22 H new ATOM 0 HE2 HIS A 64 -6.172 1.214 14.199 1.00 25.32 H new ATOM 1031 N ILE A 65 -2.028 -3.604 10.599 1.00 11.33 N ATOM 1032 CA ILE A 65 -1.799 -4.664 9.616 1.00 52.22 C ATOM 1033 C ILE A 65 -3.064 -5.493 9.561 1.00 3.45 C ATOM 1034 O ILE A 65 -3.323 -6.288 10.460 1.00 51.15 O ATOM 1035 CB ILE A 65 -0.568 -5.574 9.970 1.00 63.35 C ATOM 1036 CG1 ILE A 65 0.691 -4.699 10.201 1.00 23.31 C ATOM 1037 CG2 ILE A 65 -0.323 -6.636 8.867 1.00 21.54 C ATOM 1038 CD1 ILE A 65 1.019 -3.764 9.056 1.00 44.31 C ATOM 0 H ILE A 65 -1.596 -3.771 11.508 1.00 11.33 H new ATOM 0 HA ILE A 65 -1.565 -4.213 8.652 1.00 52.22 H new ATOM 0 HB ILE A 65 -0.787 -6.111 10.893 1.00 63.35 H new ATOM 0 HG12 ILE A 65 0.548 -4.109 11.107 1.00 23.31 H new ATOM 0 HG13 ILE A 65 1.546 -5.352 10.377 1.00 23.31 H new ATOM 0 HG21 ILE A 65 0.535 -7.251 9.139 1.00 21.54 H new ATOM 0 HG22 ILE A 65 -1.206 -7.268 8.768 1.00 21.54 H new ATOM 0 HG23 ILE A 65 -0.125 -6.137 7.918 1.00 21.54 H new ATOM 0 HD11 ILE A 65 1.913 -3.190 9.300 1.00 44.31 H new ATOM 0 HD12 ILE A 65 1.197 -4.345 8.151 1.00 44.31 H new ATOM 0 HD13 ILE A 65 0.184 -3.083 8.892 1.00 44.31 H new ATOM 1050 N THR A 66 -3.914 -5.200 8.583 1.00 24.44 N ATOM 1051 CA THR A 66 -5.159 -5.931 8.400 1.00 60.23 C ATOM 1052 C THR A 66 -5.628 -5.846 6.942 1.00 12.44 C ATOM 1053 O THR A 66 -5.277 -4.908 6.215 1.00 45.32 O ATOM 1054 CB THR A 66 -6.266 -5.442 9.397 1.00 74.43 C ATOM 1055 OG1 THR A 66 -7.539 -6.037 9.084 1.00 61.03 O ATOM 1056 CG2 THR A 66 -6.387 -3.911 9.429 1.00 2.24 C ATOM 0 H THR A 66 -3.761 -4.456 7.902 1.00 24.44 H new ATOM 0 HA THR A 66 -4.970 -6.980 8.628 1.00 60.23 H new ATOM 0 HB THR A 66 -5.959 -5.766 10.391 1.00 74.43 H new ATOM 0 HG1 THR A 66 -8.065 -6.134 9.905 1.00 61.03 H new ATOM 0 HG21 THR A 66 -7.167 -3.622 10.134 1.00 2.24 H new ATOM 0 HG22 THR A 66 -5.437 -3.477 9.741 1.00 2.24 H new ATOM 0 HG23 THR A 66 -6.644 -3.545 8.435 1.00 2.24 H new ATOM 1064 N GLY A 67 -6.426 -6.848 6.553 1.00 50.14 N ATOM 1065 CA GLY A 67 -6.980 -6.952 5.216 1.00 13.25 C ATOM 1066 C GLY A 67 -7.817 -5.747 4.817 1.00 60.43 C ATOM 1067 O GLY A 67 -7.639 -5.205 3.733 1.00 65.35 O ATOM 0 H GLY A 67 -6.702 -7.612 7.170 1.00 50.14 H new ATOM 0 HA2 GLY A 67 -6.166 -7.073 4.501 1.00 13.25 H new ATOM 0 HA3 GLY A 67 -7.595 -7.850 5.154 1.00 13.25 H new ATOM 1071 N LYS A 68 -8.692 -5.295 5.728 1.00 70.23 N ATOM 1072 CA LYS A 68 -9.586 -4.134 5.496 1.00 72.52 C ATOM 1073 C LYS A 68 -8.809 -2.826 5.176 1.00 13.14 C ATOM 1074 O LYS A 68 -9.357 -1.907 4.551 1.00 52.10 O ATOM 1075 CB LYS A 68 -10.509 -3.935 6.726 1.00 53.33 C ATOM 1076 CG LYS A 68 -9.758 -3.765 8.062 1.00 70.13 C ATOM 1077 CD LYS A 68 -10.693 -3.663 9.283 1.00 61.42 C ATOM 1078 CE LYS A 68 -9.906 -3.539 10.604 1.00 63.31 C ATOM 1079 NZ LYS A 68 -10.790 -3.529 11.800 1.00 54.11 N ATOM 0 H LYS A 68 -8.805 -5.719 6.649 1.00 70.23 H new ATOM 0 HA LYS A 68 -10.187 -4.356 4.614 1.00 72.52 H new ATOM 0 HB2 LYS A 68 -11.133 -3.057 6.559 1.00 53.33 H new ATOM 0 HB3 LYS A 68 -11.179 -4.791 6.805 1.00 53.33 H new ATOM 0 HG2 LYS A 68 -9.083 -4.610 8.201 1.00 70.13 H new ATOM 0 HG3 LYS A 68 -9.140 -2.868 8.011 1.00 70.13 H new ATOM 0 HD2 LYS A 68 -11.347 -2.798 9.168 1.00 61.42 H new ATOM 0 HD3 LYS A 68 -11.334 -4.544 9.324 1.00 61.42 H new ATOM 0 HE2 LYS A 68 -9.204 -4.369 10.683 1.00 63.31 H new ATOM 0 HE3 LYS A 68 -9.316 -2.623 10.586 1.00 63.31 H new ATOM 0 HZ1 LYS A 68 -10.210 -3.444 12.659 1.00 54.11 H new ATOM 0 HZ2 LYS A 68 -11.444 -2.722 11.742 1.00 54.11 H new ATOM 0 HZ3 LYS A 68 -11.335 -4.414 11.836 1.00 54.11 H new ATOM 1093 N TYR A 69 -7.539 -2.760 5.611 1.00 13.41 N ATOM 1094 CA TYR A 69 -6.646 -1.601 5.383 1.00 50.23 C ATOM 1095 C TYR A 69 -5.793 -1.771 4.115 1.00 23.34 C ATOM 1096 O TYR A 69 -5.431 -0.783 3.473 1.00 35.34 O ATOM 1097 CB TYR A 69 -5.746 -1.374 6.631 1.00 42.03 C ATOM 1098 CG TYR A 69 -6.443 -0.610 7.782 1.00 0.34 C ATOM 1099 CD1 TYR A 69 -7.826 -0.697 8.003 1.00 14.43 C ATOM 1100 CD2 TYR A 69 -5.718 0.232 8.615 1.00 23.20 C ATOM 1101 CE1 TYR A 69 -8.441 0.019 9.007 1.00 34.14 C ATOM 1102 CE2 TYR A 69 -6.334 0.951 9.609 1.00 24.53 C ATOM 1103 CZ TYR A 69 -7.685 0.841 9.802 1.00 54.44 C ATOM 1104 OH TYR A 69 -8.284 1.569 10.800 1.00 64.33 O ATOM 0 H TYR A 69 -7.096 -3.514 6.136 1.00 13.41 H new ATOM 0 HA TYR A 69 -7.270 -0.721 5.228 1.00 50.23 H new ATOM 0 HB2 TYR A 69 -5.409 -2.341 7.003 1.00 42.03 H new ATOM 0 HB3 TYR A 69 -4.857 -0.821 6.329 1.00 42.03 H new ATOM 0 HD1 TYR A 69 -8.422 -1.340 7.372 1.00 14.43 H new ATOM 0 HD2 TYR A 69 -4.651 0.323 8.478 1.00 23.20 H new ATOM 0 HE1 TYR A 69 -9.506 -0.066 9.166 1.00 34.14 H new ATOM 0 HE2 TYR A 69 -5.751 1.605 10.241 1.00 24.53 H new ATOM 0 HH TYR A 69 -7.989 2.502 10.746 1.00 64.33 H new ATOM 1114 N PHE A 70 -5.478 -3.025 3.762 1.00 23.53 N ATOM 1115 CA PHE A 70 -4.623 -3.359 2.593 1.00 2.32 C ATOM 1116 C PHE A 70 -5.437 -4.034 1.471 1.00 35.41 C ATOM 1117 O PHE A 70 -4.866 -4.760 0.646 1.00 0.51 O ATOM 1118 CB PHE A 70 -3.455 -4.282 3.045 1.00 51.14 C ATOM 1119 CG PHE A 70 -2.395 -3.588 3.910 1.00 1.05 C ATOM 1120 CD1 PHE A 70 -1.399 -2.811 3.316 1.00 51.11 C ATOM 1121 CD2 PHE A 70 -2.385 -3.724 5.300 1.00 22.33 C ATOM 1122 CE1 PHE A 70 -0.430 -2.193 4.079 1.00 70.21 C ATOM 1123 CE2 PHE A 70 -1.417 -3.103 6.062 1.00 15.22 C ATOM 1124 CZ PHE A 70 -0.438 -2.341 5.451 1.00 72.13 C ATOM 0 H PHE A 70 -5.805 -3.844 4.274 1.00 23.53 H new ATOM 0 HA PHE A 70 -4.217 -2.431 2.191 1.00 2.32 H new ATOM 0 HB2 PHE A 70 -3.868 -5.123 3.603 1.00 51.14 H new ATOM 0 HB3 PHE A 70 -2.971 -4.694 2.160 1.00 51.14 H new ATOM 0 HD1 PHE A 70 -1.387 -2.692 2.243 1.00 51.11 H new ATOM 0 HD2 PHE A 70 -3.143 -4.322 5.784 1.00 22.33 H new ATOM 0 HE1 PHE A 70 0.333 -1.595 3.604 1.00 70.21 H new ATOM 0 HE2 PHE A 70 -1.424 -3.212 7.136 1.00 15.22 H new ATOM 0 HZ PHE A 70 0.322 -1.861 6.049 1.00 72.13 H new ATOM 1134 N LYS A 71 -6.767 -3.771 1.437 1.00 52.23 N ATOM 1135 CA LYS A 71 -7.659 -4.293 0.374 1.00 74.44 C ATOM 1136 C LYS A 71 -7.147 -3.890 -1.005 1.00 71.13 C ATOM 1137 O LYS A 71 -6.826 -4.728 -1.850 1.00 51.51 O ATOM 1138 CB LYS A 71 -9.090 -3.731 0.546 1.00 63.30 C ATOM 1139 CG LYS A 71 -9.869 -4.282 1.738 1.00 71.52 C ATOM 1140 CD LYS A 71 -11.267 -3.641 1.892 1.00 4.11 C ATOM 1141 CE LYS A 71 -12.175 -3.831 0.656 1.00 11.32 C ATOM 1142 NZ LYS A 71 -11.971 -2.799 -0.401 1.00 23.52 N ATOM 0 H LYS A 71 -7.245 -3.200 2.134 1.00 52.23 H new ATOM 0 HA LYS A 71 -7.673 -5.380 0.458 1.00 74.44 H new ATOM 0 HB2 LYS A 71 -9.028 -2.647 0.644 1.00 63.30 H new ATOM 0 HB3 LYS A 71 -9.655 -3.937 -0.363 1.00 63.30 H new ATOM 0 HG2 LYS A 71 -9.980 -5.361 1.626 1.00 71.52 H new ATOM 0 HG3 LYS A 71 -9.295 -4.114 2.649 1.00 71.52 H new ATOM 0 HD2 LYS A 71 -11.760 -4.070 2.764 1.00 4.11 H new ATOM 0 HD3 LYS A 71 -11.149 -2.575 2.085 1.00 4.11 H new ATOM 0 HE2 LYS A 71 -11.991 -4.817 0.229 1.00 11.32 H new ATOM 0 HE3 LYS A 71 -13.217 -3.811 0.975 1.00 11.32 H new ATOM 0 HZ1 LYS A 71 -12.894 -2.440 -0.718 1.00 23.52 H new ATOM 0 HZ2 LYS A 71 -11.408 -2.014 -0.016 1.00 23.52 H new ATOM 0 HZ3 LYS A 71 -11.469 -3.222 -1.207 1.00 23.52 H new ATOM 1156 N ASP A 72 -7.025 -2.576 -1.158 1.00 14.23 N ATOM 1157 CA ASP A 72 -6.684 -1.903 -2.407 1.00 65.41 C ATOM 1158 C ASP A 72 -6.107 -0.522 -2.090 1.00 22.12 C ATOM 1159 O ASP A 72 -5.900 -0.186 -0.915 1.00 5.33 O ATOM 1160 CB ASP A 72 -7.933 -1.817 -3.336 1.00 54.34 C ATOM 1161 CG ASP A 72 -9.212 -1.374 -2.608 1.00 51.45 C ATOM 1162 OD1 ASP A 72 -9.271 -0.229 -2.132 1.00 62.02 O ATOM 1163 OD2 ASP A 72 -10.160 -2.177 -2.486 1.00 62.14 O ATOM 0 H ASP A 72 -7.166 -1.925 -0.386 1.00 14.23 H new ATOM 0 HA ASP A 72 -5.927 -2.474 -2.945 1.00 65.41 H new ATOM 0 HB2 ASP A 72 -7.725 -1.118 -4.146 1.00 54.34 H new ATOM 0 HB3 ASP A 72 -8.104 -2.792 -3.792 1.00 54.34 H new ATOM 1168 N LEU A 73 -5.833 0.268 -3.141 1.00 72.13 N ATOM 1169 CA LEU A 73 -5.253 1.608 -2.988 1.00 44.31 C ATOM 1170 C LEU A 73 -6.237 2.566 -2.306 1.00 33.21 C ATOM 1171 O LEU A 73 -5.814 3.479 -1.609 1.00 23.13 O ATOM 1172 CB LEU A 73 -4.823 2.196 -4.345 1.00 70.23 C ATOM 1173 CG LEU A 73 -4.087 3.567 -4.277 1.00 62.24 C ATOM 1174 CD1 LEU A 73 -2.764 3.438 -3.484 1.00 24.02 C ATOM 1175 CD2 LEU A 73 -3.861 4.142 -5.694 1.00 51.32 C ATOM 0 H LEU A 73 -6.006 -0.002 -4.109 1.00 72.13 H new ATOM 0 HA LEU A 73 -4.370 1.499 -2.358 1.00 44.31 H new ATOM 0 HB2 LEU A 73 -4.172 1.478 -4.843 1.00 70.23 H new ATOM 0 HB3 LEU A 73 -5.709 2.309 -4.970 1.00 70.23 H new ATOM 0 HG LEU A 73 -4.719 4.275 -3.741 1.00 62.24 H new ATOM 0 HD11 LEU A 73 -2.265 4.407 -3.448 1.00 24.02 H new ATOM 0 HD12 LEU A 73 -2.979 3.103 -2.469 1.00 24.02 H new ATOM 0 HD13 LEU A 73 -2.115 2.713 -3.975 1.00 24.02 H new ATOM 0 HD21 LEU A 73 -3.345 5.100 -5.620 1.00 51.32 H new ATOM 0 HD22 LEU A 73 -3.255 3.448 -6.276 1.00 51.32 H new ATOM 0 HD23 LEU A 73 -4.823 4.285 -6.186 1.00 51.32 H new ATOM 1187 N ASN A 74 -7.546 2.350 -2.511 1.00 44.12 N ATOM 1188 CA ASN A 74 -8.593 3.190 -1.898 1.00 32.32 C ATOM 1189 C ASN A 74 -8.665 2.937 -0.382 1.00 2.25 C ATOM 1190 O ASN A 74 -9.081 3.807 0.382 1.00 42.35 O ATOM 1191 CB ASN A 74 -9.972 2.924 -2.550 1.00 4.25 C ATOM 1192 CG ASN A 74 -9.984 3.018 -4.087 1.00 11.14 C ATOM 1193 OD1 ASN A 74 -10.778 2.351 -4.744 1.00 2.02 O ATOM 1194 ND2 ASN A 74 -9.130 3.846 -4.682 1.00 5.32 N ATOM 0 H ASN A 74 -7.908 1.599 -3.098 1.00 44.12 H new ATOM 0 HA ASN A 74 -8.330 4.234 -2.070 1.00 32.32 H new ATOM 0 HB2 ASN A 74 -10.312 1.931 -2.257 1.00 4.25 H new ATOM 0 HB3 ASN A 74 -10.692 3.638 -2.150 1.00 4.25 H new ATOM 0 HD21 ASN A 74 -9.129 3.934 -5.698 1.00 5.32 H new ATOM 0 HD22 ASN A 74 -8.476 4.393 -4.122 1.00 5.32 H new ATOM 1201 N ALA A 75 -8.267 1.724 0.038 1.00 64.20 N ATOM 1202 CA ALA A 75 -8.150 1.373 1.464 1.00 2.22 C ATOM 1203 C ALA A 75 -6.879 2.001 2.073 1.00 34.23 C ATOM 1204 O ALA A 75 -6.935 2.663 3.113 1.00 30.01 O ATOM 1205 CB ALA A 75 -8.148 -0.157 1.628 1.00 31.25 C ATOM 0 H ALA A 75 -8.019 0.964 -0.596 1.00 64.20 H new ATOM 0 HA ALA A 75 -9.009 1.775 2.002 1.00 2.22 H new ATOM 0 HB1 ALA A 75 -8.061 -0.410 2.685 1.00 31.25 H new ATOM 0 HB2 ALA A 75 -9.077 -0.567 1.232 1.00 31.25 H new ATOM 0 HB3 ALA A 75 -7.304 -0.580 1.083 1.00 31.25 H new ATOM 1211 N ILE A 76 -5.748 1.804 1.370 1.00 5.11 N ATOM 1212 CA ILE A 76 -4.411 2.275 1.796 1.00 32.32 C ATOM 1213 C ILE A 76 -4.323 3.806 1.806 1.00 5.14 C ATOM 1214 O ILE A 76 -3.640 4.358 2.650 1.00 34.10 O ATOM 1215 CB ILE A 76 -3.275 1.644 0.893 1.00 30.13 C ATOM 1216 CG1 ILE A 76 -3.235 0.097 1.100 1.00 2.31 C ATOM 1217 CG2 ILE A 76 -1.878 2.270 1.175 1.00 0.25 C ATOM 1218 CD1 ILE A 76 -2.230 -0.646 0.242 1.00 33.43 C ATOM 0 H ILE A 76 -5.734 1.308 0.479 1.00 5.11 H new ATOM 0 HA ILE A 76 -4.257 1.937 2.821 1.00 32.32 H new ATOM 0 HB ILE A 76 -3.516 1.867 -0.146 1.00 30.13 H new ATOM 0 HG12 ILE A 76 -3.015 -0.107 2.148 1.00 2.31 H new ATOM 0 HG13 ILE A 76 -4.228 -0.306 0.899 1.00 2.31 H new ATOM 0 HG21 ILE A 76 -1.133 1.803 0.530 1.00 0.25 H new ATOM 0 HG22 ILE A 76 -1.912 3.341 0.974 1.00 0.25 H new ATOM 0 HG23 ILE A 76 -1.609 2.105 2.218 1.00 0.25 H new ATOM 0 HD11 ILE A 76 -2.282 -1.712 0.462 1.00 33.43 H new ATOM 0 HD12 ILE A 76 -2.458 -0.481 -0.811 1.00 33.43 H new ATOM 0 HD13 ILE A 76 -1.226 -0.280 0.457 1.00 33.43 H new ATOM 1230 N SER A 77 -5.060 4.483 0.906 1.00 74.33 N ATOM 1231 CA SER A 77 -5.089 5.961 0.848 1.00 11.13 C ATOM 1232 C SER A 77 -5.721 6.523 2.131 1.00 61.42 C ATOM 1233 O SER A 77 -5.205 7.464 2.734 1.00 3.22 O ATOM 1234 CB SER A 77 -5.870 6.443 -0.396 1.00 12.52 C ATOM 1235 OG SER A 77 -7.163 5.860 -0.446 1.00 42.51 O ATOM 0 H SER A 77 -5.647 4.030 0.205 1.00 74.33 H new ATOM 0 HA SER A 77 -4.066 6.328 0.769 1.00 11.13 H new ATOM 0 HB2 SER A 77 -5.958 7.529 -0.375 1.00 12.52 H new ATOM 0 HB3 SER A 77 -5.316 6.185 -1.299 1.00 12.52 H new ATOM 0 HG SER A 77 -7.637 6.182 -1.241 1.00 42.51 H new ATOM 1241 N ARG A 78 -6.819 5.878 2.553 1.00 15.21 N ATOM 1242 CA ARG A 78 -7.574 6.259 3.757 1.00 24.35 C ATOM 1243 C ARG A 78 -6.817 5.881 5.041 1.00 65.44 C ATOM 1244 O ARG A 78 -6.964 6.536 6.078 1.00 52.31 O ATOM 1245 CB ARG A 78 -8.966 5.588 3.727 1.00 61.22 C ATOM 1246 CG ARG A 78 -9.836 6.006 2.524 1.00 51.01 C ATOM 1247 CD ARG A 78 -10.221 7.492 2.553 1.00 32.34 C ATOM 1248 NE ARG A 78 -11.089 7.803 3.703 1.00 20.41 N ATOM 1249 CZ ARG A 78 -11.198 8.998 4.309 1.00 14.13 C ATOM 1250 NH1 ARG A 78 -10.502 10.042 3.897 1.00 13.20 N ATOM 1251 NH2 ARG A 78 -12.012 9.134 5.347 1.00 2.24 N ATOM 0 H ARG A 78 -7.211 5.072 2.066 1.00 15.21 H new ATOM 0 HA ARG A 78 -7.695 7.342 3.760 1.00 24.35 H new ATOM 0 HB2 ARG A 78 -8.836 4.506 3.710 1.00 61.22 H new ATOM 0 HB3 ARG A 78 -9.496 5.832 4.648 1.00 61.22 H new ATOM 0 HG2 ARG A 78 -9.297 5.793 1.601 1.00 51.01 H new ATOM 0 HG3 ARG A 78 -10.743 5.401 2.510 1.00 51.01 H new ATOM 0 HD2 ARG A 78 -9.319 8.102 2.601 1.00 32.34 H new ATOM 0 HD3 ARG A 78 -10.734 7.754 1.628 1.00 32.34 H new ATOM 0 HE ARG A 78 -11.659 7.042 4.073 1.00 20.41 H new ATOM 0 HH11 ARG A 78 -9.866 9.951 3.104 1.00 13.20 H new ATOM 0 HH12 ARG A 78 -10.600 10.940 4.371 1.00 13.20 H new ATOM 0 HH21 ARG A 78 -12.551 8.335 5.681 1.00 2.24 H new ATOM 0 HH22 ARG A 78 -12.099 10.038 5.812 1.00 2.24 H new ATOM 1265 N THR A 79 -6.003 4.819 4.944 1.00 55.30 N ATOM 1266 CA THR A 79 -5.169 4.335 6.056 1.00 44.32 C ATOM 1267 C THR A 79 -3.960 5.252 6.278 1.00 75.31 C ATOM 1268 O THR A 79 -3.689 5.699 7.391 1.00 60.14 O ATOM 1269 CB THR A 79 -4.678 2.875 5.787 1.00 44.41 C ATOM 1270 OG1 THR A 79 -5.811 1.995 5.761 1.00 34.41 O ATOM 1271 CG2 THR A 79 -3.653 2.385 6.835 1.00 53.24 C ATOM 0 H THR A 79 -5.904 4.270 4.090 1.00 55.30 H new ATOM 0 HA THR A 79 -5.785 4.343 6.955 1.00 44.32 H new ATOM 0 HB THR A 79 -4.168 2.871 4.824 1.00 44.41 H new ATOM 0 HG1 THR A 79 -5.790 1.411 6.548 1.00 34.41 H new ATOM 0 HG21 THR A 79 -3.348 1.366 6.597 1.00 53.24 H new ATOM 0 HG22 THR A 79 -2.780 3.037 6.822 1.00 53.24 H new ATOM 0 HG23 THR A 79 -4.107 2.406 7.826 1.00 53.24 H new ATOM 1279 N VAL A 80 -3.264 5.549 5.193 1.00 41.01 N ATOM 1280 CA VAL A 80 -1.978 6.240 5.244 1.00 53.52 C ATOM 1281 C VAL A 80 -2.176 7.715 5.636 1.00 61.52 C ATOM 1282 O VAL A 80 -1.325 8.306 6.311 1.00 25.45 O ATOM 1283 CB VAL A 80 -1.208 6.089 3.874 1.00 23.24 C ATOM 1284 CG1 VAL A 80 -1.844 6.914 2.734 1.00 5.50 C ATOM 1285 CG2 VAL A 80 0.282 6.416 4.032 1.00 60.10 C ATOM 0 H VAL A 80 -3.572 5.319 4.248 1.00 41.01 H new ATOM 0 HA VAL A 80 -1.359 5.777 6.013 1.00 53.52 H new ATOM 0 HB VAL A 80 -1.297 5.042 3.585 1.00 23.24 H new ATOM 0 HG11 VAL A 80 -1.271 6.770 1.818 1.00 5.50 H new ATOM 0 HG12 VAL A 80 -2.871 6.585 2.576 1.00 5.50 H new ATOM 0 HG13 VAL A 80 -1.839 7.970 3.003 1.00 5.50 H new ATOM 0 HG21 VAL A 80 0.783 6.302 3.071 1.00 60.10 H new ATOM 0 HG22 VAL A 80 0.394 7.443 4.381 1.00 60.10 H new ATOM 0 HG23 VAL A 80 0.729 5.736 4.757 1.00 60.10 H new ATOM 1295 N GLU A 81 -3.340 8.291 5.252 1.00 71.41 N ATOM 1296 CA GLU A 81 -3.667 9.687 5.580 1.00 4.11 C ATOM 1297 C GLU A 81 -4.059 9.811 7.061 1.00 31.23 C ATOM 1298 O GLU A 81 -3.630 10.750 7.737 1.00 24.32 O ATOM 1299 CB GLU A 81 -4.786 10.248 4.652 1.00 15.32 C ATOM 1300 CG GLU A 81 -6.193 9.653 4.868 1.00 11.11 C ATOM 1301 CD GLU A 81 -7.266 10.304 3.986 1.00 61.35 C ATOM 1302 OE1 GLU A 81 -7.704 11.429 4.308 1.00 14.34 O ATOM 1303 OE2 GLU A 81 -7.666 9.715 2.960 1.00 25.34 O ATOM 0 H GLU A 81 -4.061 7.807 4.717 1.00 71.41 H new ATOM 0 HA GLU A 81 -2.776 10.290 5.408 1.00 4.11 H new ATOM 0 HB2 GLU A 81 -4.842 11.327 4.793 1.00 15.32 H new ATOM 0 HB3 GLU A 81 -4.494 10.076 3.616 1.00 15.32 H new ATOM 0 HG2 GLU A 81 -6.163 8.583 4.663 1.00 11.11 H new ATOM 0 HG3 GLU A 81 -6.473 9.769 5.915 1.00 11.11 H new ATOM 1310 N GLN A 82 -4.838 8.820 7.558 1.00 20.24 N ATOM 1311 CA GLN A 82 -5.371 8.843 8.932 1.00 1.23 C ATOM 1312 C GLN A 82 -4.248 8.658 9.959 1.00 35.01 C ATOM 1313 O GLN A 82 -4.370 9.085 11.092 1.00 74.05 O ATOM 1314 CB GLN A 82 -6.490 7.774 9.138 1.00 41.45 C ATOM 1315 CG GLN A 82 -6.018 6.314 9.348 1.00 61.14 C ATOM 1316 CD GLN A 82 -7.154 5.279 9.439 1.00 31.31 C ATOM 1317 OE1 GLN A 82 -7.052 4.290 10.172 1.00 35.54 O ATOM 1318 NE2 GLN A 82 -8.217 5.460 8.660 1.00 5.13 N ATOM 0 H GLN A 82 -5.109 7.995 7.022 1.00 20.24 H new ATOM 0 HA GLN A 82 -5.822 9.823 9.088 1.00 1.23 H new ATOM 0 HB2 GLN A 82 -7.088 8.067 10.001 1.00 41.45 H new ATOM 0 HB3 GLN A 82 -7.149 7.798 8.270 1.00 41.45 H new ATOM 0 HG2 GLN A 82 -5.358 6.038 8.526 1.00 61.14 H new ATOM 0 HG3 GLN A 82 -5.426 6.265 10.262 1.00 61.14 H new ATOM 0 HE21 GLN A 82 -8.278 6.285 8.064 1.00 5.13 H new ATOM 0 HE22 GLN A 82 -8.971 4.774 8.659 1.00 5.13 H new ATOM 1327 N LEU A 83 -3.150 8.016 9.541 1.00 52.11 N ATOM 1328 CA LEU A 83 -1.962 7.832 10.387 1.00 25.13 C ATOM 1329 C LEU A 83 -1.206 9.152 10.559 1.00 10.00 C ATOM 1330 O LEU A 83 -0.930 9.574 11.679 1.00 24.02 O ATOM 1331 CB LEU A 83 -1.051 6.748 9.786 1.00 31.11 C ATOM 1332 CG LEU A 83 -1.633 5.308 9.809 1.00 2.13 C ATOM 1333 CD1 LEU A 83 -0.704 4.332 9.075 1.00 23.42 C ATOM 1334 CD2 LEU A 83 -1.889 4.839 11.256 1.00 52.15 C ATOM 0 H LEU A 83 -3.059 7.610 8.610 1.00 52.11 H new ATOM 0 HA LEU A 83 -2.284 7.505 11.376 1.00 25.13 H new ATOM 0 HB2 LEU A 83 -0.827 7.016 8.753 1.00 31.11 H new ATOM 0 HB3 LEU A 83 -0.105 6.749 10.328 1.00 31.11 H new ATOM 0 HG LEU A 83 -2.589 5.323 9.286 1.00 2.13 H new ATOM 0 HD11 LEU A 83 -1.132 3.330 9.104 1.00 23.42 H new ATOM 0 HD12 LEU A 83 -0.591 4.648 8.038 1.00 23.42 H new ATOM 0 HD13 LEU A 83 0.272 4.324 9.561 1.00 23.42 H new ATOM 0 HD21 LEU A 83 -2.296 3.828 11.244 1.00 52.15 H new ATOM 0 HD22 LEU A 83 -0.951 4.846 11.812 1.00 52.15 H new ATOM 0 HD23 LEU A 83 -2.600 5.511 11.736 1.00 52.15 H new ATOM 1346 N LYS A 84 -0.920 9.823 9.430 1.00 75.13 N ATOM 1347 CA LYS A 84 -0.219 11.131 9.429 1.00 70.34 C ATOM 1348 C LYS A 84 -1.093 12.240 10.038 1.00 54.44 C ATOM 1349 O LYS A 84 -0.595 13.311 10.399 1.00 34.42 O ATOM 1350 CB LYS A 84 0.233 11.499 7.994 1.00 71.24 C ATOM 1351 CG LYS A 84 1.328 10.562 7.435 1.00 22.53 C ATOM 1352 CD LYS A 84 1.746 10.870 5.969 1.00 54.23 C ATOM 1353 CE LYS A 84 0.801 10.236 4.929 1.00 71.21 C ATOM 1354 NZ LYS A 84 -0.536 10.875 4.886 1.00 3.44 N ATOM 0 H LYS A 84 -1.162 9.484 8.499 1.00 75.13 H new ATOM 0 HA LYS A 84 0.668 11.039 10.056 1.00 70.34 H new ATOM 0 HB2 LYS A 84 -0.631 11.471 7.331 1.00 71.24 H new ATOM 0 HB3 LYS A 84 0.605 12.523 7.990 1.00 71.24 H new ATOM 0 HG2 LYS A 84 2.209 10.630 8.074 1.00 22.53 H new ATOM 0 HG3 LYS A 84 0.973 9.533 7.491 1.00 22.53 H new ATOM 0 HD2 LYS A 84 1.767 11.950 5.822 1.00 54.23 H new ATOM 0 HD3 LYS A 84 2.759 10.505 5.801 1.00 54.23 H new ATOM 0 HE2 LYS A 84 1.260 10.303 3.943 1.00 71.21 H new ATOM 0 HE3 LYS A 84 0.683 9.176 5.154 1.00 71.21 H new ATOM 0 HZ1 LYS A 84 -1.023 10.602 4.009 1.00 3.44 H new ATOM 0 HZ2 LYS A 84 -1.096 10.563 5.705 1.00 3.44 H new ATOM 0 HZ3 LYS A 84 -0.428 11.909 4.914 1.00 3.44 H new ATOM 1368 N ALA A 85 -2.400 11.970 10.118 1.00 70.21 N ATOM 1369 CA ALA A 85 -3.354 12.851 10.795 1.00 75.10 C ATOM 1370 C ALA A 85 -3.402 12.584 12.317 1.00 12.22 C ATOM 1371 O ALA A 85 -3.218 13.507 13.112 1.00 25.44 O ATOM 1372 CB ALA A 85 -4.742 12.695 10.166 1.00 4.11 C ATOM 0 H ALA A 85 -2.825 11.135 9.715 1.00 70.21 H new ATOM 0 HA ALA A 85 -3.019 13.880 10.664 1.00 75.10 H new ATOM 0 HB1 ALA A 85 -5.448 13.353 10.674 1.00 4.11 H new ATOM 0 HB2 ALA A 85 -4.695 12.960 9.110 1.00 4.11 H new ATOM 0 HB3 ALA A 85 -5.073 11.661 10.266 1.00 4.11 H new ATOM 1378 N GLU A 86 -3.631 11.315 12.716 1.00 2.24 N ATOM 1379 CA GLU A 86 -3.896 10.951 14.134 1.00 54.04 C ATOM 1380 C GLU A 86 -2.595 10.818 14.940 1.00 12.54 C ATOM 1381 O GLU A 86 -2.468 11.402 16.017 1.00 64.11 O ATOM 1382 CB GLU A 86 -4.719 9.638 14.238 1.00 52.01 C ATOM 1383 CG GLU A 86 -6.123 9.680 13.595 1.00 42.11 C ATOM 1384 CD GLU A 86 -7.003 10.814 14.126 1.00 34.42 C ATOM 1385 OE1 GLU A 86 -7.542 10.690 15.242 1.00 41.04 O ATOM 1386 OE2 GLU A 86 -7.180 11.837 13.427 1.00 3.45 O ATOM 0 H GLU A 86 -3.639 10.519 12.078 1.00 2.24 H new ATOM 0 HA GLU A 86 -4.482 11.764 14.562 1.00 54.04 H new ATOM 0 HB2 GLU A 86 -4.149 8.835 13.772 1.00 52.01 H new ATOM 0 HB3 GLU A 86 -4.829 9.381 15.292 1.00 52.01 H new ATOM 0 HG2 GLU A 86 -6.017 9.788 12.516 1.00 42.11 H new ATOM 0 HG3 GLU A 86 -6.624 8.728 13.772 1.00 42.11 H new ATOM 1393 N SER A 87 -1.648 10.022 14.418 1.00 3.44 N ATOM 1394 CA SER A 87 -0.291 9.882 15.001 1.00 32.30 C ATOM 1395 C SER A 87 0.543 11.153 14.770 1.00 70.45 C ATOM 1396 O SER A 87 1.572 11.334 15.432 1.00 53.24 O ATOM 1397 CB SER A 87 0.438 8.666 14.377 1.00 4.41 C ATOM 1398 OG SER A 87 1.737 8.486 14.912 1.00 5.13 O ATOM 0 H SER A 87 -1.794 9.456 13.582 1.00 3.44 H new ATOM 0 HA SER A 87 -0.403 9.728 16.074 1.00 32.30 H new ATOM 0 HB2 SER A 87 -0.151 7.765 14.548 1.00 4.41 H new ATOM 0 HB3 SER A 87 0.507 8.801 13.298 1.00 4.41 H new ATOM 0 HG SER A 87 2.046 9.326 15.311 1.00 5.13 H new ATOM 1404 N ALA A 88 0.078 11.992 13.807 1.00 44.13 N ATOM 1405 CA ALA A 88 0.760 13.209 13.336 1.00 12.41 C ATOM 1406 C ALA A 88 1.924 12.842 12.405 1.00 51.41 C ATOM 1407 O ALA A 88 2.385 11.698 12.373 1.00 72.15 O ATOM 1408 CB ALA A 88 1.205 14.125 14.498 1.00 53.40 C ATOM 0 H ALA A 88 -0.808 11.828 13.328 1.00 44.13 H new ATOM 0 HA ALA A 88 0.040 13.792 12.762 1.00 12.41 H new ATOM 0 HB1 ALA A 88 1.702 15.008 14.096 1.00 53.40 H new ATOM 0 HB2 ALA A 88 0.332 14.432 15.074 1.00 53.40 H new ATOM 0 HB3 ALA A 88 1.895 13.583 15.145 1.00 53.40 H new ATOM 1414 N LEU A 89 2.369 13.824 11.617 1.00 13.24 N ATOM 1415 CA LEU A 89 3.525 13.670 10.721 1.00 71.12 C ATOM 1416 C LEU A 89 4.855 13.747 11.515 1.00 33.32 C ATOM 1417 O LEU A 89 5.919 13.393 10.999 1.00 54.01 O ATOM 1418 CB LEU A 89 3.449 14.725 9.581 1.00 23.54 C ATOM 1419 CG LEU A 89 3.050 16.199 9.974 1.00 4.20 C ATOM 1420 CD1 LEU A 89 4.165 16.958 10.741 1.00 33.05 C ATOM 1421 CD2 LEU A 89 2.621 16.981 8.720 1.00 15.22 C ATOM 0 H LEU A 89 1.940 14.749 11.580 1.00 13.24 H new ATOM 0 HA LEU A 89 3.498 12.682 10.261 1.00 71.12 H new ATOM 0 HB2 LEU A 89 4.422 14.760 9.091 1.00 23.54 H new ATOM 0 HB3 LEU A 89 2.732 14.369 8.841 1.00 23.54 H new ATOM 0 HG LEU A 89 2.210 16.123 10.665 1.00 4.20 H new ATOM 0 HD11 LEU A 89 3.822 17.965 10.979 1.00 33.05 H new ATOM 0 HD12 LEU A 89 4.399 16.426 11.663 1.00 33.05 H new ATOM 0 HD13 LEU A 89 5.059 17.017 10.120 1.00 33.05 H new ATOM 0 HD21 LEU A 89 2.347 17.998 9.001 1.00 15.22 H new ATOM 0 HD22 LEU A 89 3.447 17.011 8.010 1.00 15.22 H new ATOM 0 HD23 LEU A 89 1.764 16.489 8.260 1.00 15.22 H new ATOM 1433 N GLU A 90 4.760 14.229 12.774 1.00 22.33 N ATOM 1434 CA GLU A 90 5.903 14.426 13.677 1.00 60.55 C ATOM 1435 C GLU A 90 5.967 13.249 14.699 1.00 53.33 C ATOM 1436 O GLU A 90 6.596 12.217 14.378 1.00 5.55 O ATOM 1437 CB GLU A 90 5.802 15.845 14.341 1.00 53.13 C ATOM 1438 CG GLU A 90 4.400 16.202 14.893 1.00 24.00 C ATOM 1439 CD GLU A 90 4.281 17.644 15.401 1.00 53.42 C ATOM 1440 OE1 GLU A 90 4.621 17.905 16.571 1.00 33.21 O ATOM 1441 OE2 GLU A 90 3.870 18.533 14.624 1.00 23.51 O ATOM 1442 OXT GLU A 90 5.380 13.326 15.792 1.00 37.43 O ATOM 0 H GLU A 90 3.869 14.495 13.193 1.00 22.33 H new ATOM 0 HA GLU A 90 6.846 14.408 13.131 1.00 60.55 H new ATOM 0 HB2 GLU A 90 6.524 15.902 15.156 1.00 53.13 H new ATOM 0 HB3 GLU A 90 6.091 16.597 13.606 1.00 53.13 H new ATOM 0 HG2 GLU A 90 3.660 16.041 14.109 1.00 24.00 H new ATOM 0 HG3 GLU A 90 4.156 15.519 15.707 1.00 24.00 H new TER 1449 GLU A 90 HETATM 1450 P24 4EM A 101 2.645 -13.625 6.775 1.00 4.13 P HETATM 1451 O25 4EM A 101 3.623 -14.562 7.376 1.00 61.42 O HETATM 1452 O26 4EM A 101 3.129 -12.234 6.541 1.00 13.30 O HETATM 1453 O27 4EM A 101 1.373 -13.617 7.734 1.00 43.31 O HETATM 1454 C28 4EM A 101 1.164 -12.466 8.562 1.00 54.13 C HETATM 1455 C29 4EM A 101 0.002 -12.674 9.544 1.00 51.52 C HETATM 1456 C30 4EM A 101 -1.276 -12.864 8.711 1.00 13.31 C HETATM 1457 C31 4EM A 101 -0.114 -11.430 10.430 1.00 74.23 C HETATM 1458 C32 4EM A 101 0.288 -13.910 10.401 1.00 24.02 C HETATM 1459 O33 4EM A 101 1.551 -13.734 11.075 1.00 73.44 O HETATM 1460 C34 4EM A 101 -0.758 -14.284 11.515 1.00 12.24 C HETATM 1461 O35 4EM A 101 -0.378 -15.019 12.438 1.00 50.03 O HETATM 1462 N36 4EM A 101 -2.036 -13.816 11.465 1.00 34.01 N HETATM 1463 C37 4EM A 101 -3.079 -14.141 12.458 1.00 70.35 C HETATM 1464 C38 4EM A 101 -4.190 -13.073 12.552 1.00 31.10 C HETATM 1465 C39 4EM A 101 -3.680 -11.709 13.011 1.00 42.14 C HETATM 1466 O40 4EM A 101 -2.975 -11.612 14.024 1.00 73.32 O HETATM 1467 N41 4EM A 101 -4.040 -10.648 12.273 1.00 50.10 N HETATM 1468 C42 4EM A 101 -3.640 -9.265 12.567 1.00 2.44 C HETATM 1469 C43 4EM A 101 -2.357 -8.863 11.825 1.00 4.13 C HETATM 1470 N44 4EM A 101 -2.501 -8.830 10.492 1.00 52.33 N HETATM 1471 C45 4EM A 101 -2.836 -9.843 9.683 1.00 64.44 C HETATM 1472 O46 4EM A 101 -3.077 -11.001 10.021 1.00 63.03 O HETATM 1473 C47 4EM A 101 -2.885 -9.493 8.403 1.00 43.21 C HETATM 1474 C49 4EM A 101 -1.884 -9.678 7.551 1.00 24.22 C HETATM 1475 C51 4EM A 101 -2.232 -9.103 6.407 1.00 73.10 C HETATM 1476 C50 4EM A 101 -3.425 -8.535 6.573 1.00 1.23 C HETATM 1477 N48 4EM A 101 -3.842 -8.780 7.811 1.00 2.43 N