USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 591 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET N :NH3+ -124:sc= 0.587 (180deg=-3.89!) USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0.71 USER MOD Set 2.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -166:sc=-0.00533 (180deg=-0.0888) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00919 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0125 X(o=-0.013,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 16 THR OG1 : rot -65:sc= 0.833 USER MOD Single : A 17 SER OG : rot -58:sc= 0.708 USER MOD Single : A 19 THR OG1 : rot 166:sc= 0.618 USER MOD Single : A 22 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.067) USER MOD Single : A 23 THR OG1 : rot 156:sc= 1.13 USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= -0.0976 (180deg=-0.43) USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0569) USER MOD Single : A 34 SER OG : rot -49:sc= 1.18 USER MOD Single : A 40 ASN : amide:sc= -1.2 X(o=-1.2,f=-1.1) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 83:sc= 0.536 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.175 K(o=-0.17,f=-1.2!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl -122:sc= -3.8 (180deg=-12.7!) USER MOD Single : A 67 THR OG1 : rot 51:sc= -0.463 USER MOD Single : A 69 HIS : no HE2:sc= -2.15 K(o=-2.2,f=-2.7!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.860 0.168 -0.183 1.00 71.24 N ATOM 2 CA MET A 1 1.616 0.188 -1.430 1.00 52.03 C ATOM 3 C MET A 1 1.054 -0.824 -2.423 1.00 74.23 C ATOM 4 O MET A 1 0.532 -0.453 -3.476 1.00 1.13 O ATOM 5 CB MET A 1 3.092 -0.110 -1.161 1.00 42.34 C ATOM 6 CG MET A 1 4.020 0.369 -2.266 1.00 53.53 C ATOM 7 SD MET A 1 5.642 -0.414 -2.199 1.00 43.14 S ATOM 8 CE MET A 1 6.698 1.014 -1.969 1.00 5.25 C ATOM 0 H1 MET A 1 0.503 1.123 0.022 1.00 71.24 H new ATOM 0 H2 MET A 1 0.059 -0.489 -0.273 1.00 71.24 H new ATOM 0 H3 MET A 1 1.478 -0.145 0.593 1.00 71.24 H new ATOM 0 HA MET A 1 1.527 1.184 -1.864 1.00 52.03 H new ATOM 0 HB2 MET A 1 3.384 0.361 -0.223 1.00 42.34 H new ATOM 0 HB3 MET A 1 3.219 -1.185 -1.031 1.00 42.34 H new ATOM 0 HG2 MET A 1 3.562 0.165 -3.234 1.00 53.53 H new ATOM 0 HG3 MET A 1 4.139 1.450 -2.192 1.00 53.53 H new ATOM 0 HE1 MET A 1 7.738 0.692 -1.909 1.00 5.25 H new ATOM 0 HE2 MET A 1 6.577 1.695 -2.811 1.00 5.25 H new ATOM 0 HE3 MET A 1 6.423 1.525 -1.047 1.00 5.25 H new ATOM 18 N LEU A 2 1.163 -2.104 -2.083 1.00 1.40 N ATOM 19 CA LEU A 2 0.666 -3.170 -2.945 1.00 54.03 C ATOM 20 C LEU A 2 -0.603 -3.790 -2.368 1.00 40.21 C ATOM 21 O LEU A 2 -0.601 -4.306 -1.250 1.00 14.35 O ATOM 22 CB LEU A 2 1.736 -4.247 -3.127 1.00 23.22 C ATOM 23 CG LEU A 2 1.256 -5.581 -3.700 1.00 41.01 C ATOM 24 CD1 LEU A 2 2.325 -6.195 -4.591 1.00 10.12 C ATOM 25 CD2 LEU A 2 0.879 -6.538 -2.579 1.00 73.42 C ATOM 0 H LEU A 2 1.591 -2.428 -1.216 1.00 1.40 H new ATOM 0 HA LEU A 2 0.427 -2.736 -3.916 1.00 54.03 H new ATOM 0 HB2 LEU A 2 2.513 -3.852 -3.782 1.00 23.22 H new ATOM 0 HB3 LEU A 2 2.201 -4.436 -2.159 1.00 23.22 H new ATOM 0 HG LEU A 2 0.369 -5.396 -4.306 1.00 41.01 H new ATOM 0 HD11 LEU A 2 1.966 -7.144 -4.990 1.00 10.12 H new ATOM 0 HD12 LEU A 2 2.546 -5.516 -5.414 1.00 10.12 H new ATOM 0 HD13 LEU A 2 3.230 -6.366 -4.008 1.00 10.12 H new ATOM 0 HD21 LEU A 2 0.540 -7.482 -3.005 1.00 73.42 H new ATOM 0 HD22 LEU A 2 1.748 -6.717 -1.946 1.00 73.42 H new ATOM 0 HD23 LEU A 2 0.079 -6.101 -1.982 1.00 73.42 H new ATOM 37 N LEU A 3 -1.684 -3.738 -3.138 1.00 40.24 N ATOM 38 CA LEU A 3 -2.960 -4.296 -2.705 1.00 20.30 C ATOM 39 C LEU A 3 -3.662 -5.009 -3.857 1.00 1.33 C ATOM 40 O LEU A 3 -3.500 -4.640 -5.020 1.00 61.22 O ATOM 41 CB LEU A 3 -3.860 -3.192 -2.149 1.00 53.41 C ATOM 42 CG LEU A 3 -4.348 -2.152 -3.159 1.00 13.04 C ATOM 43 CD1 LEU A 3 -5.783 -1.747 -2.857 1.00 3.04 C ATOM 44 CD2 LEU A 3 -3.436 -0.934 -3.153 1.00 61.14 C ATOM 0 H LEU A 3 -1.702 -3.315 -4.066 1.00 40.24 H new ATOM 0 HA LEU A 3 -2.761 -5.024 -1.919 1.00 20.30 H new ATOM 0 HB2 LEU A 3 -4.731 -3.658 -1.688 1.00 53.41 H new ATOM 0 HB3 LEU A 3 -3.319 -2.674 -1.357 1.00 53.41 H new ATOM 0 HG LEU A 3 -4.319 -2.598 -4.153 1.00 13.04 H new ATOM 0 HD11 LEU A 3 -6.113 -1.007 -3.586 1.00 3.04 H new ATOM 0 HD12 LEU A 3 -6.428 -2.624 -2.913 1.00 3.04 H new ATOM 0 HD13 LEU A 3 -5.837 -1.320 -1.856 1.00 3.04 H new ATOM 0 HD21 LEU A 3 -3.798 -0.205 -3.877 1.00 61.14 H new ATOM 0 HD22 LEU A 3 -3.432 -0.487 -2.159 1.00 61.14 H new ATOM 0 HD23 LEU A 3 -2.423 -1.237 -3.418 1.00 61.14 H new ATOM 56 N LYS A 4 -4.444 -6.030 -3.525 1.00 14.02 N ATOM 57 CA LYS A 4 -5.175 -6.793 -4.530 1.00 0.11 C ATOM 58 C LYS A 4 -6.671 -6.504 -4.451 1.00 23.30 C ATOM 59 O LYS A 4 -7.332 -6.862 -3.476 1.00 24.21 O ATOM 60 CB LYS A 4 -4.923 -8.291 -4.345 1.00 74.11 C ATOM 61 CG LYS A 4 -5.829 -9.169 -5.192 1.00 1.23 C ATOM 62 CD LYS A 4 -5.565 -10.645 -4.944 1.00 42.45 C ATOM 63 CE LYS A 4 -6.640 -11.263 -4.064 1.00 23.31 C ATOM 64 NZ LYS A 4 -6.099 -12.365 -3.221 1.00 33.44 N ATOM 0 H LYS A 4 -4.588 -6.349 -2.567 1.00 14.02 H new ATOM 0 HA LYS A 4 -4.816 -6.489 -5.513 1.00 0.11 H new ATOM 0 HB2 LYS A 4 -3.884 -8.510 -4.593 1.00 74.11 H new ATOM 0 HB3 LYS A 4 -5.061 -8.547 -3.295 1.00 74.11 H new ATOM 0 HG2 LYS A 4 -6.871 -8.942 -4.967 1.00 1.23 H new ATOM 0 HG3 LYS A 4 -5.674 -8.943 -6.247 1.00 1.23 H new ATOM 0 HD2 LYS A 4 -5.525 -11.174 -5.896 1.00 42.45 H new ATOM 0 HD3 LYS A 4 -4.591 -10.767 -4.470 1.00 42.45 H new ATOM 0 HE2 LYS A 4 -7.072 -10.494 -3.424 1.00 23.31 H new ATOM 0 HE3 LYS A 4 -7.446 -11.646 -4.690 1.00 23.31 H new ATOM 0 HZ1 LYS A 4 -6.862 -12.761 -2.635 1.00 33.44 H new ATOM 0 HZ2 LYS A 4 -5.710 -13.111 -3.832 1.00 33.44 H new ATOM 0 HZ3 LYS A 4 -5.347 -11.994 -2.606 1.00 33.44 H new ATOM 78 N VAL A 5 -7.199 -5.856 -5.484 1.00 71.23 N ATOM 79 CA VAL A 5 -8.617 -5.522 -5.533 1.00 35.11 C ATOM 80 C VAL A 5 -9.377 -6.482 -6.441 1.00 35.30 C ATOM 81 O VAL A 5 -8.979 -6.724 -7.581 1.00 1.34 O ATOM 82 CB VAL A 5 -8.838 -4.081 -6.029 1.00 41.30 C ATOM 83 CG1 VAL A 5 -8.182 -3.085 -5.085 1.00 13.43 C ATOM 84 CG2 VAL A 5 -8.304 -3.917 -7.444 1.00 71.31 C ATOM 0 H VAL A 5 -6.666 -5.552 -6.299 1.00 71.23 H new ATOM 0 HA VAL A 5 -8.998 -5.610 -4.515 1.00 35.11 H new ATOM 0 HB VAL A 5 -9.909 -3.881 -6.044 1.00 41.30 H new ATOM 0 HG11 VAL A 5 -8.349 -2.072 -5.452 1.00 13.43 H new ATOM 0 HG12 VAL A 5 -8.616 -3.187 -4.090 1.00 13.43 H new ATOM 0 HG13 VAL A 5 -7.111 -3.281 -5.036 1.00 13.43 H new ATOM 0 HG21 VAL A 5 -8.469 -2.893 -7.779 1.00 71.31 H new ATOM 0 HG22 VAL A 5 -7.236 -4.136 -7.458 1.00 71.31 H new ATOM 0 HG23 VAL A 5 -8.824 -4.605 -8.111 1.00 71.31 H new ATOM 94 N LYS A 6 -10.475 -7.028 -5.929 1.00 54.00 N ATOM 95 CA LYS A 6 -11.294 -7.961 -6.693 1.00 73.43 C ATOM 96 C LYS A 6 -12.760 -7.538 -6.678 1.00 63.11 C ATOM 97 O LYS A 6 -13.355 -7.360 -5.615 1.00 22.03 O ATOM 98 CB LYS A 6 -11.155 -9.376 -6.127 1.00 33.14 C ATOM 99 CG LYS A 6 -11.460 -9.469 -4.642 1.00 34.25 C ATOM 100 CD LYS A 6 -10.439 -10.328 -3.915 1.00 60.32 C ATOM 101 CE LYS A 6 -10.896 -11.776 -3.818 1.00 52.31 C ATOM 102 NZ LYS A 6 -11.989 -11.946 -2.821 1.00 20.40 N ATOM 0 H LYS A 6 -10.818 -6.840 -4.987 1.00 54.00 H new ATOM 0 HA LYS A 6 -10.942 -7.953 -7.725 1.00 73.43 H new ATOM 0 HB2 LYS A 6 -11.825 -10.043 -6.670 1.00 33.14 H new ATOM 0 HB3 LYS A 6 -10.140 -9.731 -6.304 1.00 33.14 H new ATOM 0 HG2 LYS A 6 -11.470 -8.469 -4.209 1.00 34.25 H new ATOM 0 HG3 LYS A 6 -12.456 -9.888 -4.500 1.00 34.25 H new ATOM 0 HD2 LYS A 6 -9.484 -10.281 -4.438 1.00 60.32 H new ATOM 0 HD3 LYS A 6 -10.274 -9.930 -2.914 1.00 60.32 H new ATOM 0 HE2 LYS A 6 -11.240 -12.115 -4.795 1.00 52.31 H new ATOM 0 HE3 LYS A 6 -10.051 -12.406 -3.541 1.00 52.31 H new ATOM 0 HZ1 LYS A 6 -12.111 -12.957 -2.609 1.00 20.40 H new ATOM 0 HZ2 LYS A 6 -11.745 -11.436 -1.948 1.00 20.40 H new ATOM 0 HZ3 LYS A 6 -12.875 -11.564 -3.209 1.00 20.40 H new ATOM 116 N THR A 7 -13.338 -7.379 -7.865 1.00 24.51 N ATOM 117 CA THR A 7 -14.733 -6.978 -7.988 1.00 11.32 C ATOM 118 C THR A 7 -15.660 -8.187 -7.936 1.00 11.33 C ATOM 119 O THR A 7 -15.211 -9.330 -8.017 1.00 61.00 O ATOM 120 CB THR A 7 -14.983 -6.210 -9.299 1.00 51.44 C ATOM 121 OG1 THR A 7 -13.736 -5.804 -9.875 1.00 72.31 O ATOM 122 CG2 THR A 7 -15.855 -4.987 -9.053 1.00 62.51 C ATOM 0 H THR A 7 -12.860 -7.522 -8.755 1.00 24.51 H new ATOM 0 HA THR A 7 -14.948 -6.322 -7.144 1.00 11.32 H new ATOM 0 HB THR A 7 -15.503 -6.875 -9.989 1.00 51.44 H new ATOM 0 HG1 THR A 7 -13.904 -5.318 -10.709 1.00 72.31 H new ATOM 0 HG21 THR A 7 -16.018 -4.461 -9.994 1.00 62.51 H new ATOM 0 HG22 THR A 7 -16.815 -5.301 -8.642 1.00 62.51 H new ATOM 0 HG23 THR A 7 -15.358 -4.322 -8.347 1.00 62.51 H new ATOM 130 N VAL A 8 -16.957 -7.927 -7.800 1.00 63.21 N ATOM 131 CA VAL A 8 -17.948 -8.995 -7.739 1.00 42.20 C ATOM 132 C VAL A 8 -18.029 -9.746 -9.063 1.00 64.11 C ATOM 133 O VAL A 8 -18.636 -10.813 -9.147 1.00 70.40 O ATOM 134 CB VAL A 8 -19.343 -8.446 -7.387 1.00 11.21 C ATOM 135 CG1 VAL A 8 -19.860 -7.546 -8.499 1.00 64.34 C ATOM 136 CG2 VAL A 8 -20.312 -9.587 -7.120 1.00 35.42 C ATOM 0 H VAL A 8 -17.345 -6.986 -7.730 1.00 63.21 H new ATOM 0 HA VAL A 8 -17.627 -9.681 -6.955 1.00 42.20 H new ATOM 0 HB VAL A 8 -19.260 -7.849 -6.479 1.00 11.21 H new ATOM 0 HG11 VAL A 8 -20.847 -7.168 -8.232 1.00 64.34 H new ATOM 0 HG12 VAL A 8 -19.176 -6.709 -8.637 1.00 64.34 H new ATOM 0 HG13 VAL A 8 -19.928 -8.116 -9.426 1.00 64.34 H new ATOM 0 HG21 VAL A 8 -21.293 -9.181 -6.873 1.00 35.42 H new ATOM 0 HG22 VAL A 8 -20.392 -10.212 -8.009 1.00 35.42 H new ATOM 0 HG23 VAL A 8 -19.947 -10.187 -6.286 1.00 35.42 H new ATOM 146 N SER A 9 -17.411 -9.182 -10.096 1.00 53.51 N ATOM 147 CA SER A 9 -17.416 -9.796 -11.418 1.00 61.34 C ATOM 148 C SER A 9 -16.247 -10.764 -11.571 1.00 63.44 C ATOM 149 O SER A 9 -15.933 -11.206 -12.676 1.00 31.21 O ATOM 150 CB SER A 9 -17.348 -8.721 -12.504 1.00 43.24 C ATOM 151 OG SER A 9 -18.641 -8.397 -12.983 1.00 15.51 O ATOM 0 H SER A 9 -16.900 -8.301 -10.042 1.00 53.51 H new ATOM 0 HA SER A 9 -18.345 -10.355 -11.528 1.00 61.34 H new ATOM 0 HB2 SER A 9 -16.870 -7.826 -12.105 1.00 43.24 H new ATOM 0 HB3 SER A 9 -16.729 -9.072 -13.329 1.00 43.24 H new ATOM 0 HG SER A 9 -18.570 -7.707 -13.675 1.00 15.51 H new ATOM 157 N ASN A 10 -15.606 -11.089 -10.453 1.00 63.54 N ATOM 158 CA ASN A 10 -14.470 -12.005 -10.462 1.00 13.21 C ATOM 159 C ASN A 10 -13.270 -11.376 -11.163 1.00 71.34 C ATOM 160 O ASN A 10 -12.499 -12.063 -11.834 1.00 40.12 O ATOM 161 CB ASN A 10 -14.851 -13.316 -11.154 1.00 5.45 C ATOM 162 CG ASN A 10 -14.431 -14.534 -10.354 1.00 61.00 C ATOM 163 OD1 ASN A 10 -13.571 -15.304 -10.781 1.00 23.30 O ATOM 164 ND2 ASN A 10 -15.039 -14.714 -9.187 1.00 44.21 N ATOM 0 H ASN A 10 -15.853 -10.732 -9.530 1.00 63.54 H new ATOM 0 HA ASN A 10 -14.195 -12.214 -9.428 1.00 13.21 H new ATOM 0 HB2 ASN A 10 -15.929 -13.341 -11.310 1.00 5.45 H new ATOM 0 HB3 ASN A 10 -14.385 -13.353 -12.139 1.00 5.45 H new ATOM 0 HD21 ASN A 10 -14.799 -15.516 -8.605 1.00 44.21 H new ATOM 0 HD22 ASN A 10 -15.746 -14.050 -8.873 1.00 44.21 H new ATOM 171 N LYS A 11 -13.118 -10.066 -11.003 1.00 63.14 N ATOM 172 CA LYS A 11 -12.011 -9.343 -11.619 1.00 21.32 C ATOM 173 C LYS A 11 -10.975 -8.942 -10.574 1.00 21.24 C ATOM 174 O LYS A 11 -11.044 -7.854 -10.002 1.00 34.33 O ATOM 175 CB LYS A 11 -12.528 -8.099 -12.344 1.00 0.43 C ATOM 176 CG LYS A 11 -13.289 -8.411 -13.621 1.00 2.53 C ATOM 177 CD LYS A 11 -13.544 -7.156 -14.439 1.00 4.43 C ATOM 178 CE LYS A 11 -13.801 -7.486 -15.901 1.00 35.02 C ATOM 179 NZ LYS A 11 -12.704 -6.998 -16.782 1.00 32.25 N ATOM 0 H LYS A 11 -13.748 -9.483 -10.452 1.00 63.14 H new ATOM 0 HA LYS A 11 -11.535 -10.005 -12.342 1.00 21.32 H new ATOM 0 HB2 LYS A 11 -13.178 -7.540 -11.671 1.00 0.43 H new ATOM 0 HB3 LYS A 11 -11.685 -7.451 -12.583 1.00 0.43 H new ATOM 0 HG2 LYS A 11 -12.723 -9.126 -14.217 1.00 2.53 H new ATOM 0 HG3 LYS A 11 -14.239 -8.884 -13.373 1.00 2.53 H new ATOM 0 HD2 LYS A 11 -14.401 -6.622 -14.030 1.00 4.43 H new ATOM 0 HD3 LYS A 11 -12.685 -6.489 -14.361 1.00 4.43 H new ATOM 0 HE2 LYS A 11 -13.907 -8.565 -16.016 1.00 35.02 H new ATOM 0 HE3 LYS A 11 -14.744 -7.038 -16.214 1.00 35.02 H new ATOM 0 HZ1 LYS A 11 -12.917 -7.243 -17.770 1.00 32.25 H new ATOM 0 HZ2 LYS A 11 -12.619 -5.965 -16.692 1.00 32.25 H new ATOM 0 HZ3 LYS A 11 -11.808 -7.445 -16.500 1.00 32.25 H new ATOM 193 N VAL A 12 -10.013 -9.827 -10.330 1.00 35.32 N ATOM 194 CA VAL A 12 -8.961 -9.564 -9.355 1.00 73.14 C ATOM 195 C VAL A 12 -7.735 -8.952 -10.023 1.00 21.03 C ATOM 196 O VAL A 12 -7.281 -9.426 -11.065 1.00 32.24 O ATOM 197 CB VAL A 12 -8.543 -10.851 -8.620 1.00 32.04 C ATOM 198 CG1 VAL A 12 -7.571 -10.531 -7.495 1.00 24.13 C ATOM 199 CG2 VAL A 12 -9.767 -11.581 -8.086 1.00 42.31 C ATOM 0 H VAL A 12 -9.941 -10.732 -10.794 1.00 35.32 H new ATOM 0 HA VAL A 12 -9.368 -8.858 -8.632 1.00 73.14 H new ATOM 0 HB VAL A 12 -8.038 -11.506 -9.330 1.00 32.04 H new ATOM 0 HG11 VAL A 12 -7.287 -11.452 -6.987 1.00 24.13 H new ATOM 0 HG12 VAL A 12 -6.682 -10.054 -7.907 1.00 24.13 H new ATOM 0 HG13 VAL A 12 -8.047 -9.856 -6.784 1.00 24.13 H new ATOM 0 HG21 VAL A 12 -9.453 -12.488 -7.570 1.00 42.31 H new ATOM 0 HG22 VAL A 12 -10.302 -10.934 -7.391 1.00 42.31 H new ATOM 0 HG23 VAL A 12 -10.424 -11.844 -8.915 1.00 42.31 H new ATOM 209 N ILE A 13 -7.203 -7.897 -9.416 1.00 4.25 N ATOM 210 CA ILE A 13 -6.027 -7.221 -9.950 1.00 52.33 C ATOM 211 C ILE A 13 -5.018 -6.919 -8.848 1.00 44.10 C ATOM 212 O ILE A 13 -5.375 -6.400 -7.791 1.00 54.32 O ATOM 213 CB ILE A 13 -6.407 -5.906 -10.657 1.00 62.22 C ATOM 214 CG1 ILE A 13 -7.438 -6.172 -11.756 1.00 44.03 C ATOM 215 CG2 ILE A 13 -5.168 -5.239 -11.236 1.00 1.14 C ATOM 216 CD1 ILE A 13 -6.931 -7.082 -12.853 1.00 24.52 C ATOM 0 H ILE A 13 -7.568 -7.492 -8.554 1.00 4.25 H new ATOM 0 HA ILE A 13 -5.576 -7.898 -10.676 1.00 52.33 H new ATOM 0 HB ILE A 13 -6.850 -5.232 -9.924 1.00 62.22 H new ATOM 0 HG12 ILE A 13 -8.327 -6.616 -11.309 1.00 44.03 H new ATOM 0 HG13 ILE A 13 -7.742 -5.222 -12.195 1.00 44.03 H new ATOM 0 HG21 ILE A 13 -5.453 -4.311 -11.732 1.00 1.14 H new ATOM 0 HG22 ILE A 13 -4.464 -5.020 -10.433 1.00 1.14 H new ATOM 0 HG23 ILE A 13 -4.699 -5.907 -11.958 1.00 1.14 H new ATOM 0 HD11 ILE A 13 -7.714 -7.226 -13.597 1.00 24.52 H new ATOM 0 HD12 ILE A 13 -6.059 -6.630 -13.327 1.00 24.52 H new ATOM 0 HD13 ILE A 13 -6.653 -8.046 -12.427 1.00 24.52 H new ATOM 228 N GLN A 14 -3.755 -7.246 -9.104 1.00 31.34 N ATOM 229 CA GLN A 14 -2.693 -7.009 -8.133 1.00 13.11 C ATOM 230 C GLN A 14 -1.831 -5.821 -8.548 1.00 75.34 C ATOM 231 O GLN A 14 -1.151 -5.865 -9.574 1.00 1.33 O ATOM 232 CB GLN A 14 -1.823 -8.258 -7.982 1.00 10.32 C ATOM 233 CG GLN A 14 -1.248 -8.761 -9.296 1.00 33.41 C ATOM 234 CD GLN A 14 0.267 -8.813 -9.289 1.00 12.53 C ATOM 235 OE1 GLN A 14 0.875 -9.422 -8.408 1.00 52.22 O ATOM 236 NE2 GLN A 14 0.886 -8.171 -10.273 1.00 73.32 N ATOM 0 H GLN A 14 -3.443 -7.675 -9.975 1.00 31.34 H new ATOM 0 HA GLN A 14 -3.157 -6.780 -7.174 1.00 13.11 H new ATOM 0 HB2 GLN A 14 -1.004 -8.040 -7.297 1.00 10.32 H new ATOM 0 HB3 GLN A 14 -2.416 -9.051 -7.527 1.00 10.32 H new ATOM 0 HG2 GLN A 14 -1.641 -9.757 -9.502 1.00 33.41 H new ATOM 0 HG3 GLN A 14 -1.582 -8.112 -10.106 1.00 33.41 H new ATOM 0 HE21 GLN A 14 0.342 -7.679 -10.982 1.00 73.32 H new ATOM 0 HE22 GLN A 14 1.905 -8.170 -10.320 1.00 73.32 H new ATOM 245 N ILE A 15 -1.866 -4.762 -7.746 1.00 61.45 N ATOM 246 CA ILE A 15 -1.087 -3.564 -8.031 1.00 52.52 C ATOM 247 C ILE A 15 -0.010 -3.344 -6.974 1.00 53.42 C ATOM 248 O ILE A 15 -0.150 -3.777 -5.830 1.00 5.43 O ATOM 249 CB ILE A 15 -1.984 -2.313 -8.102 1.00 61.41 C ATOM 250 CG1 ILE A 15 -2.448 -1.912 -6.700 1.00 43.45 C ATOM 251 CG2 ILE A 15 -3.179 -2.569 -9.008 1.00 61.52 C ATOM 252 CD1 ILE A 15 -3.603 -0.935 -6.703 1.00 45.41 C ATOM 0 H ILE A 15 -2.425 -4.710 -6.894 1.00 61.45 H new ATOM 0 HA ILE A 15 -0.614 -3.718 -9.001 1.00 52.52 H new ATOM 0 HB ILE A 15 -1.404 -1.491 -8.522 1.00 61.41 H new ATOM 0 HG12 ILE A 15 -2.742 -2.808 -6.153 1.00 43.45 H new ATOM 0 HG13 ILE A 15 -1.610 -1.470 -6.161 1.00 43.45 H new ATOM 0 HG21 ILE A 15 -3.803 -1.676 -9.048 1.00 61.52 H new ATOM 0 HG22 ILE A 15 -2.829 -2.813 -10.011 1.00 61.52 H new ATOM 0 HG23 ILE A 15 -3.762 -3.402 -8.615 1.00 61.52 H new ATOM 0 HD11 ILE A 15 -3.879 -0.695 -5.676 1.00 45.41 H new ATOM 0 HD12 ILE A 15 -3.307 -0.023 -7.222 1.00 45.41 H new ATOM 0 HD13 ILE A 15 -4.456 -1.382 -7.213 1.00 45.41 H new ATOM 264 N THR A 16 1.065 -2.666 -7.364 1.00 53.34 N ATOM 265 CA THR A 16 2.166 -2.387 -6.451 1.00 53.01 C ATOM 266 C THR A 16 2.705 -0.976 -6.655 1.00 65.00 C ATOM 267 O THR A 16 3.869 -0.792 -7.012 1.00 2.25 O ATOM 268 CB THR A 16 3.316 -3.396 -6.633 1.00 53.41 C ATOM 269 OG1 THR A 16 4.432 -3.018 -5.819 1.00 34.30 O ATOM 270 CG2 THR A 16 3.746 -3.468 -8.090 1.00 62.23 C ATOM 0 H THR A 16 1.196 -2.300 -8.307 1.00 53.34 H new ATOM 0 HA THR A 16 1.769 -2.478 -5.440 1.00 53.01 H new ATOM 0 HB THR A 16 2.960 -4.380 -6.327 1.00 53.41 H new ATOM 0 HG1 THR A 16 4.794 -2.164 -6.136 1.00 34.30 H new ATOM 0 HG21 THR A 16 4.559 -4.187 -8.194 1.00 62.23 H new ATOM 0 HG22 THR A 16 2.902 -3.783 -8.703 1.00 62.23 H new ATOM 0 HG23 THR A 16 4.086 -2.486 -8.418 1.00 62.23 H new ATOM 278 N SER A 17 1.853 0.018 -6.426 1.00 31.41 N ATOM 279 CA SER A 17 2.244 1.413 -6.588 1.00 10.13 C ATOM 280 C SER A 17 1.123 2.347 -6.140 1.00 63.34 C ATOM 281 O SER A 17 0.454 2.972 -6.964 1.00 70.32 O ATOM 282 CB SER A 17 2.608 1.697 -8.046 1.00 70.13 C ATOM 283 OG SER A 17 2.675 3.091 -8.293 1.00 71.33 O ATOM 0 H SER A 17 0.887 -0.117 -6.128 1.00 31.41 H new ATOM 0 HA SER A 17 3.117 1.595 -5.961 1.00 10.13 H new ATOM 0 HB2 SER A 17 3.568 1.236 -8.281 1.00 70.13 H new ATOM 0 HB3 SER A 17 1.867 1.243 -8.704 1.00 70.13 H new ATOM 0 HG SER A 17 1.814 3.504 -8.072 1.00 71.33 H new ATOM 289 N LEU A 18 0.924 2.436 -4.830 1.00 43.31 N ATOM 290 CA LEU A 18 -0.115 3.293 -4.271 1.00 12.51 C ATOM 291 C LEU A 18 0.493 4.528 -3.614 1.00 15.54 C ATOM 292 O LEU A 18 1.636 4.504 -3.157 1.00 61.33 O ATOM 293 CB LEU A 18 -0.950 2.517 -3.251 1.00 3.24 C ATOM 294 CG LEU A 18 -2.392 2.213 -3.656 1.00 15.14 C ATOM 295 CD1 LEU A 18 -3.209 3.494 -3.725 1.00 2.32 C ATOM 296 CD2 LEU A 18 -2.429 1.482 -4.990 1.00 11.40 C ATOM 0 H LEU A 18 1.468 1.925 -4.135 1.00 43.31 H new ATOM 0 HA LEU A 18 -0.760 3.619 -5.087 1.00 12.51 H new ATOM 0 HB2 LEU A 18 -0.446 1.573 -3.042 1.00 3.24 H new ATOM 0 HB3 LEU A 18 -0.967 3.083 -2.320 1.00 3.24 H new ATOM 0 HG LEU A 18 -2.833 1.566 -2.898 1.00 15.14 H new ATOM 0 HD11 LEU A 18 -4.233 3.257 -4.015 1.00 2.32 H new ATOM 0 HD12 LEU A 18 -3.211 3.977 -2.748 1.00 2.32 H new ATOM 0 HD13 LEU A 18 -2.770 4.167 -4.462 1.00 2.32 H new ATOM 0 HD21 LEU A 18 -3.464 1.274 -5.262 1.00 11.40 H new ATOM 0 HD22 LEU A 18 -1.970 2.104 -5.758 1.00 11.40 H new ATOM 0 HD23 LEU A 18 -1.880 0.544 -4.906 1.00 11.40 H new ATOM 308 N THR A 19 -0.281 5.609 -3.566 1.00 60.25 N ATOM 309 CA THR A 19 0.180 6.853 -2.964 1.00 41.22 C ATOM 310 C THR A 19 -0.025 6.842 -1.454 1.00 11.12 C ATOM 311 O THR A 19 -0.556 5.881 -0.897 1.00 13.11 O ATOM 312 CB THR A 19 -0.551 8.071 -3.561 1.00 63.22 C ATOM 313 OG1 THR A 19 -1.130 7.724 -4.824 1.00 35.44 O ATOM 314 CG2 THR A 19 0.405 9.241 -3.741 1.00 32.22 C ATOM 0 H THR A 19 -1.230 5.647 -3.937 1.00 60.25 H new ATOM 0 HA THR A 19 1.245 6.934 -3.183 1.00 41.22 H new ATOM 0 HB THR A 19 -1.339 8.369 -2.869 1.00 63.22 H new ATOM 0 HG1 THR A 19 -1.772 8.415 -5.090 1.00 35.44 H new ATOM 0 HG21 THR A 19 -0.134 10.089 -4.164 1.00 32.22 H new ATOM 0 HG22 THR A 19 0.823 9.522 -2.774 1.00 32.22 H new ATOM 0 HG23 THR A 19 1.212 8.951 -4.414 1.00 32.22 H new ATOM 322 N ASP A 20 0.398 7.916 -0.796 1.00 63.21 N ATOM 323 CA ASP A 20 0.259 8.030 0.651 1.00 1.30 C ATOM 324 C ASP A 20 -0.608 9.230 1.020 1.00 30.24 C ATOM 325 O ASP A 20 -0.735 9.579 2.194 1.00 22.32 O ATOM 326 CB ASP A 20 1.634 8.158 1.309 1.00 62.45 C ATOM 327 CG ASP A 20 2.130 9.590 1.341 1.00 62.24 C ATOM 328 OD1 ASP A 20 1.951 10.302 0.331 1.00 63.03 O ATOM 329 OD2 ASP A 20 2.698 9.998 2.375 1.00 2.43 O ATOM 0 H ASP A 20 0.840 8.720 -1.242 1.00 63.21 H new ATOM 0 HA ASP A 20 -0.227 7.126 1.017 1.00 1.30 H new ATOM 0 HB2 ASP A 20 1.584 7.771 2.327 1.00 62.45 H new ATOM 0 HB3 ASP A 20 2.351 7.540 0.768 1.00 62.45 H new ATOM 334 N ASP A 21 -1.202 9.857 0.011 1.00 3.21 N ATOM 335 CA ASP A 21 -2.057 11.018 0.229 1.00 31.13 C ATOM 336 C ASP A 21 -3.526 10.609 0.279 1.00 22.12 C ATOM 337 O ASP A 21 -4.249 10.969 1.207 1.00 73.13 O ATOM 338 CB ASP A 21 -1.840 12.053 -0.876 1.00 32.13 C ATOM 339 CG ASP A 21 -1.216 13.333 -0.356 1.00 25.32 C ATOM 340 OD1 ASP A 21 -0.145 13.254 0.283 1.00 31.11 O ATOM 341 OD2 ASP A 21 -1.796 14.413 -0.588 1.00 54.15 O ATOM 0 H ASP A 21 -1.107 9.581 -0.966 1.00 3.21 H new ATOM 0 HA ASP A 21 -1.789 11.461 1.188 1.00 31.13 H new ATOM 0 HB2 ASP A 21 -1.199 11.627 -1.648 1.00 32.13 H new ATOM 0 HB3 ASP A 21 -2.796 12.283 -1.347 1.00 32.13 H new ATOM 346 N ASN A 22 -3.959 9.855 -0.726 1.00 54.20 N ATOM 347 CA ASN A 22 -5.343 9.399 -0.798 1.00 24.54 C ATOM 348 C ASN A 22 -5.418 7.877 -0.723 1.00 24.42 C ATOM 349 O ASN A 22 -6.275 7.318 -0.037 1.00 50.43 O ATOM 350 CB ASN A 22 -5.998 9.890 -2.090 1.00 65.32 C ATOM 351 CG ASN A 22 -6.469 11.327 -1.989 1.00 53.43 C ATOM 352 OD1 ASN A 22 -6.075 12.179 -2.786 1.00 53.11 O ATOM 353 ND2 ASN A 22 -7.318 11.604 -1.006 1.00 24.13 N ATOM 0 H ASN A 22 -3.372 9.547 -1.501 1.00 54.20 H new ATOM 0 HA ASN A 22 -5.881 9.815 0.054 1.00 24.54 H new ATOM 0 HB2 ASN A 22 -5.287 9.800 -2.911 1.00 65.32 H new ATOM 0 HB3 ASN A 22 -6.846 9.249 -2.331 1.00 65.32 H new ATOM 0 HD21 ASN A 22 -7.670 12.554 -0.889 1.00 24.13 H new ATOM 0 HD22 ASN A 22 -7.618 10.867 -0.368 1.00 24.13 H new ATOM 360 N THR A 23 -4.513 7.209 -1.433 1.00 1.24 N ATOM 361 CA THR A 23 -4.476 5.752 -1.448 1.00 11.43 C ATOM 362 C THR A 23 -5.778 5.175 -1.992 1.00 43.11 C ATOM 363 O THR A 23 -5.869 4.830 -3.170 1.00 73.45 O ATOM 364 CB THR A 23 -4.224 5.182 -0.039 1.00 54.21 C ATOM 365 OG1 THR A 23 -2.923 5.566 0.420 1.00 54.24 O ATOM 366 CG2 THR A 23 -4.340 3.665 -0.041 1.00 1.43 C ATOM 0 H THR A 23 -3.796 7.655 -2.005 1.00 1.24 H new ATOM 0 HA THR A 23 -3.653 5.463 -2.101 1.00 11.43 H new ATOM 0 HB THR A 23 -4.980 5.588 0.634 1.00 54.21 H new ATOM 0 HG1 THR A 23 -2.906 5.557 1.400 1.00 54.24 H new ATOM 0 HG21 THR A 23 -4.158 3.285 0.964 1.00 1.43 H new ATOM 0 HG22 THR A 23 -5.341 3.377 -0.362 1.00 1.43 H new ATOM 0 HG23 THR A 23 -3.604 3.245 -0.726 1.00 1.43 H new ATOM 374 N ILE A 24 -6.782 5.074 -1.128 1.00 2.02 N ATOM 375 CA ILE A 24 -8.079 4.540 -1.524 1.00 10.13 C ATOM 376 C ILE A 24 -8.820 5.514 -2.434 1.00 64.31 C ATOM 377 O ILE A 24 -9.309 5.135 -3.498 1.00 32.23 O ATOM 378 CB ILE A 24 -8.958 4.231 -0.298 1.00 35.12 C ATOM 379 CG1 ILE A 24 -8.232 3.275 0.650 1.00 31.52 C ATOM 380 CG2 ILE A 24 -10.290 3.641 -0.737 1.00 32.53 C ATOM 381 CD1 ILE A 24 -7.485 3.977 1.762 1.00 43.32 C ATOM 0 H ILE A 24 -6.722 5.355 -0.149 1.00 2.02 H new ATOM 0 HA ILE A 24 -7.887 3.614 -2.066 1.00 10.13 H new ATOM 0 HB ILE A 24 -9.153 5.162 0.235 1.00 35.12 H new ATOM 0 HG12 ILE A 24 -8.958 2.589 1.087 1.00 31.52 H new ATOM 0 HG13 ILE A 24 -7.529 2.671 0.076 1.00 31.52 H new ATOM 0 HG21 ILE A 24 -10.900 3.428 0.141 1.00 32.53 H new ATOM 0 HG22 ILE A 24 -10.811 4.354 -1.377 1.00 32.53 H new ATOM 0 HG23 ILE A 24 -10.115 2.718 -1.290 1.00 32.53 H new ATOM 0 HD11 ILE A 24 -6.995 3.237 2.395 1.00 43.32 H new ATOM 0 HD12 ILE A 24 -6.735 4.642 1.333 1.00 43.32 H new ATOM 0 HD13 ILE A 24 -8.186 4.559 2.361 1.00 43.32 H new ATOM 393 N ALA A 25 -8.896 6.771 -2.010 1.00 30.34 N ATOM 394 CA ALA A 25 -9.573 7.800 -2.788 1.00 53.22 C ATOM 395 C ALA A 25 -8.956 7.933 -4.176 1.00 54.34 C ATOM 396 O ALA A 25 -9.665 8.123 -5.164 1.00 71.43 O ATOM 397 CB ALA A 25 -9.524 9.133 -2.056 1.00 41.35 C ATOM 0 H ALA A 25 -8.497 7.101 -1.131 1.00 30.34 H new ATOM 0 HA ALA A 25 -10.615 7.503 -2.909 1.00 53.22 H new ATOM 0 HB1 ALA A 25 -10.034 9.893 -2.649 1.00 41.35 H new ATOM 0 HB2 ALA A 25 -10.018 9.036 -1.089 1.00 41.35 H new ATOM 0 HB3 ALA A 25 -8.485 9.427 -1.905 1.00 41.35 H new ATOM 403 N GLU A 26 -7.632 7.834 -4.243 1.00 34.23 N ATOM 404 CA GLU A 26 -6.921 7.945 -5.511 1.00 13.01 C ATOM 405 C GLU A 26 -7.207 6.740 -6.402 1.00 70.14 C ATOM 406 O GLU A 26 -7.370 6.876 -7.616 1.00 20.52 O ATOM 407 CB GLU A 26 -5.416 8.068 -5.268 1.00 24.23 C ATOM 408 CG GLU A 26 -4.595 8.121 -6.545 1.00 70.34 C ATOM 409 CD GLU A 26 -3.768 9.387 -6.656 1.00 31.14 C ATOM 410 OE1 GLU A 26 -3.109 9.753 -5.660 1.00 31.12 O ATOM 411 OE2 GLU A 26 -3.780 10.012 -7.737 1.00 21.34 O ATOM 0 H GLU A 26 -7.030 7.677 -3.434 1.00 34.23 H new ATOM 0 HA GLU A 26 -7.274 8.843 -6.019 1.00 13.01 H new ATOM 0 HB2 GLU A 26 -5.223 8.968 -4.685 1.00 24.23 H new ATOM 0 HB3 GLU A 26 -5.083 7.222 -4.667 1.00 24.23 H new ATOM 0 HG2 GLU A 26 -3.934 7.255 -6.583 1.00 70.34 H new ATOM 0 HG3 GLU A 26 -5.262 8.051 -7.404 1.00 70.34 H new ATOM 418 N LEU A 27 -7.266 5.561 -5.792 1.00 43.25 N ATOM 419 CA LEU A 27 -7.531 4.331 -6.530 1.00 32.33 C ATOM 420 C LEU A 27 -8.946 4.332 -7.099 1.00 72.52 C ATOM 421 O LEU A 27 -9.152 4.056 -8.282 1.00 3.45 O ATOM 422 CB LEU A 27 -7.336 3.116 -5.621 1.00 3.03 C ATOM 423 CG LEU A 27 -6.217 2.152 -6.019 1.00 54.44 C ATOM 424 CD1 LEU A 27 -6.116 1.010 -5.020 1.00 44.34 C ATOM 425 CD2 LEU A 27 -6.452 1.616 -7.424 1.00 25.41 C ATOM 0 H LEU A 27 -7.134 5.431 -4.789 1.00 43.25 H new ATOM 0 HA LEU A 27 -6.826 4.274 -7.359 1.00 32.33 H new ATOM 0 HB2 LEU A 27 -7.139 3.472 -4.610 1.00 3.03 H new ATOM 0 HB3 LEU A 27 -8.273 2.559 -5.586 1.00 3.03 H new ATOM 0 HG LEU A 27 -5.273 2.697 -6.012 1.00 54.44 H new ATOM 0 HD11 LEU A 27 -5.315 0.334 -5.319 1.00 44.34 H new ATOM 0 HD12 LEU A 27 -5.901 1.411 -4.029 1.00 44.34 H new ATOM 0 HD13 LEU A 27 -7.059 0.465 -4.994 1.00 44.34 H new ATOM 0 HD21 LEU A 27 -5.647 0.932 -7.692 1.00 25.41 H new ATOM 0 HD22 LEU A 27 -7.404 1.087 -7.457 1.00 25.41 H new ATOM 0 HD23 LEU A 27 -6.473 2.445 -8.131 1.00 25.41 H new ATOM 437 N LYS A 28 -9.920 4.645 -6.251 1.00 24.33 N ATOM 438 CA LYS A 28 -11.316 4.686 -6.669 1.00 21.53 C ATOM 439 C LYS A 28 -11.546 5.796 -7.689 1.00 32.21 C ATOM 440 O LYS A 28 -12.286 5.620 -8.656 1.00 65.43 O ATOM 441 CB LYS A 28 -12.227 4.895 -5.457 1.00 4.12 C ATOM 442 CG LYS A 28 -12.019 6.231 -4.764 1.00 75.11 C ATOM 443 CD LYS A 28 -12.835 6.329 -3.486 1.00 33.41 C ATOM 444 CE LYS A 28 -14.328 6.299 -3.774 1.00 54.21 C ATOM 445 NZ LYS A 28 -14.734 7.385 -4.709 1.00 73.33 N ATOM 0 H LYS A 28 -9.768 4.874 -5.269 1.00 24.33 H new ATOM 0 HA LYS A 28 -11.557 3.731 -7.137 1.00 21.53 H new ATOM 0 HB2 LYS A 28 -13.266 4.819 -5.777 1.00 4.12 H new ATOM 0 HB3 LYS A 28 -12.054 4.092 -4.740 1.00 4.12 H new ATOM 0 HG2 LYS A 28 -10.962 6.361 -4.533 1.00 75.11 H new ATOM 0 HG3 LYS A 28 -12.300 7.040 -5.439 1.00 75.11 H new ATOM 0 HD2 LYS A 28 -12.575 5.504 -2.823 1.00 33.41 H new ATOM 0 HD3 LYS A 28 -12.583 7.251 -2.962 1.00 33.41 H new ATOM 0 HE2 LYS A 28 -14.596 5.333 -4.201 1.00 54.21 H new ATOM 0 HE3 LYS A 28 -14.880 6.399 -2.840 1.00 54.21 H new ATOM 0 HZ1 LYS A 28 -15.766 7.507 -4.672 1.00 73.33 H new ATOM 0 HZ2 LYS A 28 -14.270 8.273 -4.431 1.00 73.33 H new ATOM 0 HZ3 LYS A 28 -14.450 7.134 -5.677 1.00 73.33 H new ATOM 459 N GLY A 29 -10.906 6.940 -7.466 1.00 54.15 N ATOM 460 CA GLY A 29 -11.054 8.061 -8.376 1.00 1.31 C ATOM 461 C GLY A 29 -10.436 7.792 -9.734 1.00 34.23 C ATOM 462 O GLY A 29 -10.926 8.276 -10.754 1.00 72.44 O ATOM 0 H GLY A 29 -10.288 7.110 -6.672 1.00 54.15 H new ATOM 0 HA2 GLY A 29 -12.113 8.286 -8.501 1.00 1.31 H new ATOM 0 HA3 GLY A 29 -10.590 8.944 -7.938 1.00 1.31 H new ATOM 466 N LYS A 30 -9.356 7.018 -9.747 1.00 51.34 N ATOM 467 CA LYS A 30 -8.669 6.685 -10.990 1.00 31.35 C ATOM 468 C LYS A 30 -9.451 5.641 -11.780 1.00 60.42 C ATOM 469 O LYS A 30 -9.496 5.684 -13.010 1.00 54.44 O ATOM 470 CB LYS A 30 -7.260 6.166 -10.694 1.00 11.04 C ATOM 471 CG LYS A 30 -6.230 7.269 -10.521 1.00 63.44 C ATOM 472 CD LYS A 30 -5.359 7.416 -11.758 1.00 11.30 C ATOM 473 CE LYS A 30 -4.322 8.515 -11.582 1.00 14.33 C ATOM 474 NZ LYS A 30 -3.284 8.143 -10.581 1.00 13.21 N ATOM 0 H LYS A 30 -8.938 6.610 -8.911 1.00 51.34 H new ATOM 0 HA LYS A 30 -8.597 7.591 -11.591 1.00 31.35 H new ATOM 0 HB2 LYS A 30 -7.288 5.561 -9.788 1.00 11.04 H new ATOM 0 HB3 LYS A 30 -6.945 5.510 -11.506 1.00 11.04 H new ATOM 0 HG2 LYS A 30 -6.736 8.212 -10.317 1.00 63.44 H new ATOM 0 HG3 LYS A 30 -5.603 7.050 -9.657 1.00 63.44 H new ATOM 0 HD2 LYS A 30 -4.857 6.471 -11.966 1.00 11.30 H new ATOM 0 HD3 LYS A 30 -5.986 7.640 -12.621 1.00 11.30 H new ATOM 0 HE2 LYS A 30 -3.845 8.721 -12.540 1.00 14.33 H new ATOM 0 HE3 LYS A 30 -4.817 9.434 -11.268 1.00 14.33 H new ATOM 0 HZ1 LYS A 30 -2.525 8.854 -10.588 1.00 13.21 H new ATOM 0 HZ2 LYS A 30 -3.713 8.103 -9.634 1.00 13.21 H new ATOM 0 HZ3 LYS A 30 -2.888 7.212 -10.821 1.00 13.21 H new ATOM 488 N LEU A 31 -10.066 4.704 -11.067 1.00 72.21 N ATOM 489 CA LEU A 31 -10.848 3.649 -11.702 1.00 73.15 C ATOM 490 C LEU A 31 -12.121 4.214 -12.324 1.00 53.22 C ATOM 491 O LEU A 31 -12.474 3.876 -13.453 1.00 74.04 O ATOM 492 CB LEU A 31 -11.203 2.565 -10.683 1.00 1.23 C ATOM 493 CG LEU A 31 -11.508 1.180 -11.254 1.00 3.00 C ATOM 494 CD1 LEU A 31 -11.009 0.093 -10.314 1.00 44.43 C ATOM 495 CD2 LEU A 31 -13.000 1.024 -11.508 1.00 11.35 C ATOM 0 H LEU A 31 -10.038 4.653 -10.049 1.00 72.21 H new ATOM 0 HA LEU A 31 -10.242 3.209 -12.494 1.00 73.15 H new ATOM 0 HB2 LEU A 31 -10.376 2.472 -9.979 1.00 1.23 H new ATOM 0 HB3 LEU A 31 -12.070 2.900 -10.113 1.00 1.23 H new ATOM 0 HG LEU A 31 -10.985 1.078 -12.205 1.00 3.00 H new ATOM 0 HD11 LEU A 31 -11.235 -0.886 -10.737 1.00 44.43 H new ATOM 0 HD12 LEU A 31 -9.931 0.192 -10.183 1.00 44.43 H new ATOM 0 HD13 LEU A 31 -11.503 0.193 -9.347 1.00 44.43 H new ATOM 0 HD21 LEU A 31 -13.198 0.032 -11.914 1.00 11.35 H new ATOM 0 HD22 LEU A 31 -13.543 1.148 -10.571 1.00 11.35 H new ATOM 0 HD23 LEU A 31 -13.329 1.780 -12.221 1.00 11.35 H new ATOM 507 N GLU A 32 -12.804 5.078 -11.580 1.00 14.13 N ATOM 508 CA GLU A 32 -14.037 5.691 -12.060 1.00 14.14 C ATOM 509 C GLU A 32 -13.755 6.655 -13.208 1.00 5.40 C ATOM 510 O GLU A 32 -14.506 6.715 -14.181 1.00 23.23 O ATOM 511 CB GLU A 32 -14.743 6.430 -10.920 1.00 44.24 C ATOM 512 CG GLU A 32 -13.874 7.478 -10.245 1.00 51.32 C ATOM 513 CD GLU A 32 -13.997 8.844 -10.894 1.00 30.55 C ATOM 514 OE1 GLU A 32 -14.715 8.956 -11.909 1.00 11.53 O ATOM 515 OE2 GLU A 32 -13.375 9.799 -10.385 1.00 4.43 O ATOM 0 H GLU A 32 -12.525 5.369 -10.643 1.00 14.13 H new ATOM 0 HA GLU A 32 -14.688 4.897 -12.427 1.00 14.14 H new ATOM 0 HB2 GLU A 32 -15.640 6.910 -11.310 1.00 44.24 H new ATOM 0 HB3 GLU A 32 -15.068 5.705 -10.174 1.00 44.24 H new ATOM 0 HG2 GLU A 32 -14.152 7.553 -9.194 1.00 51.32 H new ATOM 0 HG3 GLU A 32 -12.833 7.157 -10.277 1.00 51.32 H new ATOM 522 N GLU A 33 -12.666 7.409 -13.086 1.00 31.22 N ATOM 523 CA GLU A 33 -12.285 8.371 -14.113 1.00 1.32 C ATOM 524 C GLU A 33 -11.852 7.660 -15.392 1.00 35.14 C ATOM 525 O GLU A 33 -12.104 8.139 -16.497 1.00 14.40 O ATOM 526 CB GLU A 33 -11.153 9.268 -13.607 1.00 50.45 C ATOM 527 CG GLU A 33 -10.949 10.521 -14.444 1.00 34.43 C ATOM 528 CD GLU A 33 -11.566 11.752 -13.810 1.00 11.25 C ATOM 529 OE1 GLU A 33 -12.773 11.989 -14.027 1.00 0.34 O ATOM 530 OE2 GLU A 33 -10.843 12.479 -13.097 1.00 24.21 O ATOM 0 H GLU A 33 -12.033 7.372 -12.287 1.00 31.22 H new ATOM 0 HA GLU A 33 -13.155 8.987 -14.338 1.00 1.32 H new ATOM 0 HB2 GLU A 33 -11.364 9.559 -12.578 1.00 50.45 H new ATOM 0 HB3 GLU A 33 -10.226 8.695 -13.593 1.00 50.45 H new ATOM 0 HG2 GLU A 33 -9.881 10.687 -14.588 1.00 34.43 H new ATOM 0 HG3 GLU A 33 -11.384 10.369 -15.432 1.00 34.43 H new ATOM 537 N SER A 34 -11.200 6.513 -15.232 1.00 45.20 N ATOM 538 CA SER A 34 -10.728 5.737 -16.373 1.00 4.02 C ATOM 539 C SER A 34 -11.899 5.249 -17.220 1.00 30.24 C ATOM 540 O SER A 34 -11.869 5.334 -18.447 1.00 24.42 O ATOM 541 CB SER A 34 -9.896 4.544 -15.896 1.00 51.53 C ATOM 542 OG SER A 34 -10.723 3.535 -15.344 1.00 23.32 O ATOM 0 H SER A 34 -10.987 6.101 -14.324 1.00 45.20 H new ATOM 0 HA SER A 34 -10.103 6.384 -16.988 1.00 4.02 H new ATOM 0 HB2 SER A 34 -9.327 4.136 -16.731 1.00 51.53 H new ATOM 0 HB3 SER A 34 -9.174 4.875 -15.150 1.00 51.53 H new ATOM 0 HG SER A 34 -11.336 3.935 -14.692 1.00 23.32 H new ATOM 548 N GLU A 35 -12.930 4.738 -16.554 1.00 21.31 N ATOM 549 CA GLU A 35 -14.111 4.235 -17.245 1.00 73.12 C ATOM 550 C GLU A 35 -15.078 5.371 -17.566 1.00 73.15 C ATOM 551 O GLU A 35 -16.092 5.168 -18.234 1.00 22.04 O ATOM 552 CB GLU A 35 -14.816 3.176 -16.394 1.00 44.31 C ATOM 553 CG GLU A 35 -14.191 1.795 -16.501 1.00 0.33 C ATOM 554 CD GLU A 35 -14.760 0.984 -17.649 1.00 12.53 C ATOM 555 OE1 GLU A 35 -15.990 1.035 -17.859 1.00 30.32 O ATOM 556 OE2 GLU A 35 -13.975 0.300 -18.337 1.00 62.33 O ATOM 0 H GLU A 35 -12.971 4.662 -15.538 1.00 21.31 H new ATOM 0 HA GLU A 35 -13.786 3.781 -18.181 1.00 73.12 H new ATOM 0 HB2 GLU A 35 -14.802 3.492 -15.351 1.00 44.31 H new ATOM 0 HB3 GLU A 35 -15.862 3.117 -16.695 1.00 44.31 H new ATOM 0 HG2 GLU A 35 -13.114 1.897 -16.632 1.00 0.33 H new ATOM 0 HG3 GLU A 35 -14.349 1.256 -15.567 1.00 0.33 H new ATOM 563 N GLY A 36 -14.757 6.568 -17.085 1.00 43.15 N ATOM 564 CA GLY A 36 -15.606 7.719 -17.331 1.00 33.34 C ATOM 565 C GLY A 36 -16.651 7.909 -16.248 1.00 45.45 C ATOM 566 O GLY A 36 -16.874 9.027 -15.782 1.00 41.14 O ATOM 0 H GLY A 36 -13.924 6.761 -16.529 1.00 43.15 H new ATOM 0 HA2 GLY A 36 -14.989 8.615 -17.397 1.00 33.34 H new ATOM 0 HA3 GLY A 36 -16.102 7.602 -18.294 1.00 33.34 H new ATOM 570 N ILE A 37 -17.293 6.817 -15.849 1.00 64.11 N ATOM 571 CA ILE A 37 -18.319 6.870 -14.816 1.00 33.43 C ATOM 572 C ILE A 37 -18.204 5.683 -13.865 1.00 72.54 C ATOM 573 O ILE A 37 -17.682 4.624 -14.215 1.00 70.22 O ATOM 574 CB ILE A 37 -19.733 6.888 -15.427 1.00 2.41 C ATOM 575 CG1 ILE A 37 -19.859 5.814 -16.509 1.00 25.00 C ATOM 576 CG2 ILE A 37 -20.044 8.263 -15.999 1.00 51.21 C ATOM 577 CD1 ILE A 37 -21.285 5.386 -16.773 1.00 13.31 C ATOM 0 H ILE A 37 -17.121 5.885 -16.225 1.00 64.11 H new ATOM 0 HA ILE A 37 -18.160 7.794 -14.261 1.00 33.43 H new ATOM 0 HB ILE A 37 -20.456 6.670 -14.641 1.00 2.41 H new ATOM 0 HG12 ILE A 37 -19.424 6.190 -17.435 1.00 25.00 H new ATOM 0 HG13 ILE A 37 -19.275 4.942 -16.214 1.00 25.00 H new ATOM 0 HG21 ILE A 37 -21.046 8.261 -16.427 1.00 51.21 H new ATOM 0 HG22 ILE A 37 -19.990 9.008 -15.205 1.00 51.21 H new ATOM 0 HG23 ILE A 37 -19.318 8.507 -16.775 1.00 51.21 H new ATOM 0 HD11 ILE A 37 -21.298 4.623 -17.551 1.00 13.31 H new ATOM 0 HD12 ILE A 37 -21.718 4.979 -15.859 1.00 13.31 H new ATOM 0 HD13 ILE A 37 -21.869 6.247 -17.099 1.00 13.31 H new ATOM 589 N PRO A 38 -18.705 5.860 -12.634 1.00 22.12 N ATOM 590 CA PRO A 38 -18.672 4.813 -11.608 1.00 13.42 C ATOM 591 C PRO A 38 -19.612 3.657 -11.930 1.00 35.24 C ATOM 592 O PRO A 38 -20.712 3.862 -12.443 1.00 23.24 O ATOM 593 CB PRO A 38 -19.134 5.542 -10.343 1.00 72.02 C ATOM 594 CG PRO A 38 -19.957 6.680 -10.841 1.00 33.32 C ATOM 595 CD PRO A 38 -19.342 7.096 -12.148 1.00 65.30 C ATOM 0 HA PRO A 38 -17.685 4.360 -11.519 1.00 13.42 H new ATOM 0 HB2 PRO A 38 -19.717 4.885 -9.698 1.00 72.02 H new ATOM 0 HB3 PRO A 38 -18.285 5.894 -9.757 1.00 72.02 H new ATOM 0 HG2 PRO A 38 -20.996 6.380 -10.977 1.00 33.32 H new ATOM 0 HG3 PRO A 38 -19.954 7.505 -10.128 1.00 33.32 H new ATOM 0 HD2 PRO A 38 -20.094 7.462 -12.847 1.00 65.30 H new ATOM 0 HD3 PRO A 38 -18.615 7.897 -12.013 1.00 65.30 H new ATOM 603 N GLY A 39 -19.173 2.440 -11.624 1.00 65.31 N ATOM 604 CA GLY A 39 -19.988 1.268 -11.888 1.00 3.41 C ATOM 605 C GLY A 39 -21.391 1.401 -11.330 1.00 22.23 C ATOM 606 O GLY A 39 -22.368 1.088 -12.008 1.00 61.24 O ATOM 0 H GLY A 39 -18.267 2.244 -11.198 1.00 65.31 H new ATOM 0 HA2 GLY A 39 -20.042 1.102 -12.964 1.00 3.41 H new ATOM 0 HA3 GLY A 39 -19.509 0.391 -11.454 1.00 3.41 H new ATOM 610 N ASN A 40 -21.491 1.865 -10.088 1.00 62.32 N ATOM 611 CA ASN A 40 -22.785 2.036 -9.438 1.00 70.41 C ATOM 612 C ASN A 40 -22.611 2.480 -7.989 1.00 34.52 C ATOM 613 O ASN A 40 -22.895 3.626 -7.642 1.00 63.22 O ATOM 614 CB ASN A 40 -23.582 0.731 -9.491 1.00 71.35 C ATOM 615 CG ASN A 40 -24.846 0.859 -10.319 1.00 73.12 C ATOM 616 OD1 ASN A 40 -24.893 0.428 -11.472 1.00 14.44 O ATOM 617 ND2 ASN A 40 -25.879 1.454 -9.733 1.00 71.43 N ATOM 0 H ASN A 40 -20.692 2.129 -9.512 1.00 62.32 H new ATOM 0 HA ASN A 40 -23.333 2.811 -9.974 1.00 70.41 H new ATOM 0 HB2 ASN A 40 -22.956 -0.057 -9.908 1.00 71.35 H new ATOM 0 HB3 ASN A 40 -23.844 0.427 -8.478 1.00 71.35 H new ATOM 0 HD21 ASN A 40 -26.756 1.569 -10.240 1.00 71.43 H new ATOM 0 HD22 ASN A 40 -25.795 1.796 -8.776 1.00 71.43 H new ATOM 624 N MET A 41 -22.143 1.564 -7.147 1.00 73.32 N ATOM 625 CA MET A 41 -21.930 1.861 -5.736 1.00 10.54 C ATOM 626 C MET A 41 -20.444 2.030 -5.434 1.00 33.41 C ATOM 627 O MET A 41 -20.054 2.903 -4.658 1.00 71.05 O ATOM 628 CB MET A 41 -22.517 0.750 -4.864 1.00 21.15 C ATOM 629 CG MET A 41 -24.020 0.862 -4.666 1.00 61.21 C ATOM 630 SD MET A 41 -24.582 0.066 -3.149 1.00 54.10 S ATOM 631 CE MET A 41 -24.947 1.495 -2.132 1.00 52.05 C ATOM 0 H MET A 41 -21.904 0.610 -7.418 1.00 73.32 H new ATOM 0 HA MET A 41 -22.438 2.798 -5.507 1.00 10.54 H new ATOM 0 HB2 MET A 41 -22.290 -0.215 -5.317 1.00 21.15 H new ATOM 0 HB3 MET A 41 -22.028 0.768 -3.890 1.00 21.15 H new ATOM 0 HG2 MET A 41 -24.302 1.915 -4.645 1.00 61.21 H new ATOM 0 HG3 MET A 41 -24.529 0.412 -5.518 1.00 61.21 H new ATOM 0 HE1 MET A 41 -25.307 1.166 -1.157 1.00 52.05 H new ATOM 0 HE2 MET A 41 -24.043 2.090 -2.003 1.00 52.05 H new ATOM 0 HE3 MET A 41 -25.713 2.100 -2.616 1.00 52.05 H new ATOM 641 N ILE A 42 -19.621 1.189 -6.051 1.00 30.43 N ATOM 642 CA ILE A 42 -18.179 1.246 -5.848 1.00 23.30 C ATOM 643 C ILE A 42 -17.831 1.230 -4.363 1.00 52.22 C ATOM 644 O ILE A 42 -17.145 2.124 -3.867 1.00 30.54 O ATOM 645 CB ILE A 42 -17.569 2.504 -6.493 1.00 41.13 C ATOM 646 CG1 ILE A 42 -18.126 2.701 -7.905 1.00 12.35 C ATOM 647 CG2 ILE A 42 -16.051 2.400 -6.527 1.00 75.40 C ATOM 648 CD1 ILE A 42 -17.838 1.544 -8.835 1.00 42.22 C ATOM 0 H ILE A 42 -19.928 0.460 -6.695 1.00 30.43 H new ATOM 0 HA ILE A 42 -17.758 0.362 -6.327 1.00 23.30 H new ATOM 0 HB ILE A 42 -17.841 3.371 -5.891 1.00 41.13 H new ATOM 0 HG12 ILE A 42 -19.204 2.848 -7.844 1.00 12.35 H new ATOM 0 HG13 ILE A 42 -17.704 3.612 -8.330 1.00 12.35 H new ATOM 0 HG21 ILE A 42 -15.635 3.297 -6.986 1.00 75.40 H new ATOM 0 HG22 ILE A 42 -15.670 2.302 -5.510 1.00 75.40 H new ATOM 0 HG23 ILE A 42 -15.759 1.526 -7.109 1.00 75.40 H new ATOM 0 HD11 ILE A 42 -18.262 1.753 -9.817 1.00 42.22 H new ATOM 0 HD12 ILE A 42 -16.760 1.410 -8.926 1.00 42.22 H new ATOM 0 HD13 ILE A 42 -18.284 0.634 -8.433 1.00 42.22 H new ATOM 660 N ARG A 43 -18.308 0.208 -3.660 1.00 52.22 N ATOM 661 CA ARG A 43 -18.048 0.076 -2.232 1.00 25.41 C ATOM 662 C ARG A 43 -17.288 -1.214 -1.935 1.00 63.03 C ATOM 663 O ARG A 43 -17.806 -2.313 -2.138 1.00 21.15 O ATOM 664 CB ARG A 43 -19.361 0.098 -1.448 1.00 1.11 C ATOM 665 CG ARG A 43 -19.334 1.021 -0.240 1.00 63.24 C ATOM 666 CD ARG A 43 -20.642 1.782 -0.091 1.00 21.40 C ATOM 667 NE ARG A 43 -20.646 3.021 -0.864 1.00 23.22 N ATOM 668 CZ ARG A 43 -21.491 4.022 -0.643 1.00 62.35 C ATOM 669 NH1 ARG A 43 -22.395 3.930 0.322 1.00 71.12 N ATOM 670 NH2 ARG A 43 -21.432 5.118 -1.389 1.00 60.32 N ATOM 0 H ARG A 43 -18.876 -0.540 -4.056 1.00 52.22 H new ATOM 0 HA ARG A 43 -17.433 0.921 -1.921 1.00 25.41 H new ATOM 0 HB2 ARG A 43 -20.167 0.408 -2.114 1.00 1.11 H new ATOM 0 HB3 ARG A 43 -19.593 -0.914 -1.116 1.00 1.11 H new ATOM 0 HG2 ARG A 43 -19.147 0.437 0.661 1.00 63.24 H new ATOM 0 HG3 ARG A 43 -18.510 1.728 -0.339 1.00 63.24 H new ATOM 0 HD2 ARG A 43 -21.468 1.150 -0.416 1.00 21.40 H new ATOM 0 HD3 ARG A 43 -20.810 2.011 0.961 1.00 21.40 H new ATOM 0 HE ARG A 43 -19.963 3.123 -1.614 1.00 23.22 H new ATOM 0 HH11 ARG A 43 -22.443 3.089 0.897 1.00 71.12 H new ATOM 0 HH12 ARG A 43 -23.042 4.700 0.489 1.00 71.12 H new ATOM 0 HH21 ARG A 43 -20.738 5.192 -2.132 1.00 60.32 H new ATOM 0 HH22 ARG A 43 -22.081 5.886 -1.219 1.00 60.32 H new ATOM 684 N LEU A 44 -16.057 -1.072 -1.456 1.00 31.43 N ATOM 685 CA LEU A 44 -15.225 -2.226 -1.131 1.00 41.14 C ATOM 686 C LEU A 44 -15.129 -2.421 0.378 1.00 32.13 C ATOM 687 O LEU A 44 -15.314 -1.480 1.150 1.00 52.43 O ATOM 688 CB LEU A 44 -13.825 -2.053 -1.724 1.00 55.25 C ATOM 689 CG LEU A 44 -13.058 -0.807 -1.281 1.00 50.32 C ATOM 690 CD1 LEU A 44 -11.563 -1.083 -1.253 1.00 2.24 C ATOM 691 CD2 LEU A 44 -13.368 0.366 -2.200 1.00 73.23 C ATOM 0 H LEU A 44 -15.613 -0.170 -1.284 1.00 31.43 H new ATOM 0 HA LEU A 44 -15.690 -3.111 -1.564 1.00 41.14 H new ATOM 0 HB2 LEU A 44 -13.232 -2.931 -1.467 1.00 55.25 H new ATOM 0 HB3 LEU A 44 -13.912 -2.035 -2.810 1.00 55.25 H new ATOM 0 HG LEU A 44 -13.378 -0.547 -0.272 1.00 50.32 H new ATOM 0 HD11 LEU A 44 -11.033 -0.185 -0.935 1.00 2.24 H new ATOM 0 HD12 LEU A 44 -11.356 -1.893 -0.554 1.00 2.24 H new ATOM 0 HD13 LEU A 44 -11.227 -1.369 -2.250 1.00 2.24 H new ATOM 0 HD21 LEU A 44 -12.813 1.244 -1.869 1.00 73.23 H new ATOM 0 HD22 LEU A 44 -13.077 0.116 -3.220 1.00 73.23 H new ATOM 0 HD23 LEU A 44 -14.436 0.579 -2.170 1.00 73.23 H new ATOM 703 N VAL A 45 -14.837 -3.650 0.794 1.00 42.53 N ATOM 704 CA VAL A 45 -14.713 -3.968 2.211 1.00 2.01 C ATOM 705 C VAL A 45 -13.300 -4.431 2.549 1.00 71.23 C ATOM 706 O VAL A 45 -12.825 -5.440 2.026 1.00 4.51 O ATOM 707 CB VAL A 45 -15.714 -5.061 2.630 1.00 24.13 C ATOM 708 CG1 VAL A 45 -15.698 -5.249 4.140 1.00 61.33 C ATOM 709 CG2 VAL A 45 -17.113 -4.717 2.142 1.00 22.42 C ATOM 0 H VAL A 45 -14.682 -4.441 0.169 1.00 42.53 H new ATOM 0 HA VAL A 45 -14.933 -3.053 2.761 1.00 2.01 H new ATOM 0 HB VAL A 45 -15.414 -6.001 2.168 1.00 24.13 H new ATOM 0 HG11 VAL A 45 -16.411 -6.025 4.418 1.00 61.33 H new ATOM 0 HG12 VAL A 45 -14.698 -5.544 4.459 1.00 61.33 H new ATOM 0 HG13 VAL A 45 -15.973 -4.313 4.626 1.00 61.33 H new ATOM 0 HG21 VAL A 45 -17.807 -5.500 2.447 1.00 22.42 H new ATOM 0 HG22 VAL A 45 -17.426 -3.766 2.574 1.00 22.42 H new ATOM 0 HG23 VAL A 45 -17.110 -4.638 1.055 1.00 22.42 H new ATOM 719 N TYR A 46 -12.634 -3.689 3.426 1.00 50.31 N ATOM 720 CA TYR A 46 -11.274 -4.022 3.833 1.00 50.14 C ATOM 721 C TYR A 46 -11.267 -4.728 5.185 1.00 54.00 C ATOM 722 O TYR A 46 -11.648 -4.148 6.201 1.00 12.03 O ATOM 723 CB TYR A 46 -10.415 -2.758 3.900 1.00 14.25 C ATOM 724 CG TYR A 46 -9.028 -2.937 3.328 1.00 44.04 C ATOM 725 CD1 TYR A 46 -8.282 -4.076 3.605 1.00 73.51 C ATOM 726 CD2 TYR A 46 -8.461 -1.967 2.510 1.00 13.22 C ATOM 727 CE1 TYR A 46 -7.014 -4.244 3.084 1.00 24.35 C ATOM 728 CE2 TYR A 46 -7.194 -2.127 1.984 1.00 11.12 C ATOM 729 CZ TYR A 46 -6.474 -3.267 2.274 1.00 32.13 C ATOM 730 OH TYR A 46 -5.211 -3.430 1.753 1.00 1.44 O ATOM 0 H TYR A 46 -13.014 -2.852 3.869 1.00 50.31 H new ATOM 0 HA TYR A 46 -10.855 -4.699 3.088 1.00 50.14 H new ATOM 0 HB2 TYR A 46 -10.920 -1.957 3.361 1.00 14.25 H new ATOM 0 HB3 TYR A 46 -10.332 -2.440 4.939 1.00 14.25 H new ATOM 0 HD1 TYR A 46 -8.701 -4.843 4.239 1.00 73.51 H new ATOM 0 HD2 TYR A 46 -9.021 -1.072 2.282 1.00 13.22 H new ATOM 0 HE1 TYR A 46 -6.448 -5.136 3.310 1.00 24.35 H new ATOM 0 HE2 TYR A 46 -6.769 -1.364 1.349 1.00 11.12 H new ATOM 0 HH TYR A 46 -5.259 -3.985 0.947 1.00 1.44 H new ATOM 740 N GLN A 47 -10.831 -5.983 5.187 1.00 20.45 N ATOM 741 CA GLN A 47 -10.774 -6.769 6.414 1.00 33.53 C ATOM 742 C GLN A 47 -12.141 -6.824 7.090 1.00 44.53 C ATOM 743 O GLN A 47 -12.238 -6.839 8.316 1.00 1.40 O ATOM 744 CB GLN A 47 -9.740 -6.180 7.375 1.00 31.32 C ATOM 745 CG GLN A 47 -8.855 -7.227 8.032 1.00 1.25 C ATOM 746 CD GLN A 47 -8.246 -6.742 9.334 1.00 71.44 C ATOM 747 OE1 GLN A 47 -7.843 -5.585 9.451 1.00 43.25 O ATOM 748 NE2 GLN A 47 -8.177 -7.628 10.321 1.00 44.32 N ATOM 0 H GLN A 47 -10.512 -6.477 4.354 1.00 20.45 H new ATOM 0 HA GLN A 47 -10.478 -7.785 6.151 1.00 33.53 H new ATOM 0 HB2 GLN A 47 -9.112 -5.474 6.832 1.00 31.32 H new ATOM 0 HB3 GLN A 47 -10.257 -5.615 8.150 1.00 31.32 H new ATOM 0 HG2 GLN A 47 -9.442 -8.126 8.222 1.00 1.25 H new ATOM 0 HG3 GLN A 47 -8.057 -7.507 7.344 1.00 1.25 H new ATOM 0 HE21 GLN A 47 -8.523 -8.577 10.180 1.00 44.32 H new ATOM 0 HE22 GLN A 47 -7.778 -7.360 11.220 1.00 44.32 H new ATOM 757 N GLY A 48 -13.195 -6.852 6.280 1.00 31.11 N ATOM 758 CA GLY A 48 -14.542 -6.904 6.818 1.00 50.41 C ATOM 759 C GLY A 48 -15.047 -5.541 7.248 1.00 51.41 C ATOM 760 O GLY A 48 -16.147 -5.419 7.788 1.00 23.43 O ATOM 0 H GLY A 48 -13.140 -6.840 5.262 1.00 31.11 H new ATOM 0 HA2 GLY A 48 -15.215 -7.317 6.066 1.00 50.41 H new ATOM 0 HA3 GLY A 48 -14.563 -7.582 7.671 1.00 50.41 H new ATOM 764 N LYS A 49 -14.242 -4.511 7.010 1.00 42.12 N ATOM 765 CA LYS A 49 -14.612 -3.149 7.376 1.00 1.01 C ATOM 766 C LYS A 49 -15.009 -2.343 6.144 1.00 52.14 C ATOM 767 O LYS A 49 -14.639 -2.686 5.021 1.00 22.13 O ATOM 768 CB LYS A 49 -13.451 -2.460 8.097 1.00 52.40 C ATOM 769 CG LYS A 49 -13.765 -2.085 9.535 1.00 52.50 C ATOM 770 CD LYS A 49 -12.926 -2.886 10.516 1.00 1.42 C ATOM 771 CE LYS A 49 -13.394 -4.330 10.601 1.00 74.23 C ATOM 772 NZ LYS A 49 -14.117 -4.605 11.874 1.00 63.55 N ATOM 0 H LYS A 49 -13.328 -4.594 6.565 1.00 42.12 H new ATOM 0 HA LYS A 49 -15.470 -3.200 8.047 1.00 1.01 H new ATOM 0 HB2 LYS A 49 -12.583 -3.119 8.083 1.00 52.40 H new ATOM 0 HB3 LYS A 49 -13.176 -1.560 7.547 1.00 52.40 H new ATOM 0 HG2 LYS A 49 -13.582 -1.021 9.683 1.00 52.50 H new ATOM 0 HG3 LYS A 49 -14.823 -2.257 9.734 1.00 52.50 H new ATOM 0 HD2 LYS A 49 -11.881 -2.859 10.209 1.00 1.42 H new ATOM 0 HD3 LYS A 49 -12.980 -2.426 11.503 1.00 1.42 H new ATOM 0 HE2 LYS A 49 -14.048 -4.550 9.757 1.00 74.23 H new ATOM 0 HE3 LYS A 49 -12.535 -4.996 10.520 1.00 74.23 H new ATOM 0 HZ1 LYS A 49 -14.420 -5.600 11.893 1.00 63.55 H new ATOM 0 HZ2 LYS A 49 -13.485 -4.420 12.679 1.00 63.55 H new ATOM 0 HZ3 LYS A 49 -14.952 -3.988 11.940 1.00 63.55 H new ATOM 786 N GLN A 50 -15.763 -1.270 6.361 1.00 33.34 N ATOM 787 CA GLN A 50 -16.209 -0.416 5.267 1.00 13.23 C ATOM 788 C GLN A 50 -15.648 0.995 5.415 1.00 74.32 C ATOM 789 O GLN A 50 -15.241 1.401 6.504 1.00 45.34 O ATOM 790 CB GLN A 50 -17.738 -0.367 5.220 1.00 25.45 C ATOM 791 CG GLN A 50 -18.394 -1.732 5.355 1.00 1.10 C ATOM 792 CD GLN A 50 -19.678 -1.843 4.558 1.00 53.15 C ATOM 793 OE1 GLN A 50 -19.798 -1.279 3.470 1.00 42.25 O ATOM 794 NE2 GLN A 50 -20.648 -2.573 5.096 1.00 53.05 N ATOM 0 H GLN A 50 -16.078 -0.972 7.284 1.00 33.34 H new ATOM 0 HA GLN A 50 -15.837 -0.840 4.334 1.00 13.23 H new ATOM 0 HB2 GLN A 50 -18.097 0.281 6.020 1.00 25.45 H new ATOM 0 HB3 GLN A 50 -18.050 0.086 4.279 1.00 25.45 H new ATOM 0 HG2 GLN A 50 -17.697 -2.501 5.022 1.00 1.10 H new ATOM 0 HG3 GLN A 50 -18.605 -1.927 6.406 1.00 1.10 H new ATOM 0 HE21 GLN A 50 -20.506 -3.023 6.000 1.00 53.05 H new ATOM 0 HE22 GLN A 50 -21.535 -2.684 4.605 1.00 53.05 H new ATOM 803 N LEU A 51 -15.630 1.737 4.313 1.00 32.22 N ATOM 804 CA LEU A 51 -15.119 3.103 4.319 1.00 24.04 C ATOM 805 C LEU A 51 -13.636 3.128 4.677 1.00 61.35 C ATOM 806 O LEU A 51 -13.265 2.951 5.836 1.00 4.23 O ATOM 807 CB LEU A 51 -15.908 3.960 5.311 1.00 70.42 C ATOM 808 CG LEU A 51 -17.425 3.767 5.305 1.00 40.44 C ATOM 809 CD1 LEU A 51 -17.894 3.178 6.626 1.00 43.10 C ATOM 810 CD2 LEU A 51 -18.129 5.088 5.028 1.00 62.12 C ATOM 0 H LEU A 51 -15.963 1.416 3.404 1.00 32.22 H new ATOM 0 HA LEU A 51 -15.240 3.514 3.317 1.00 24.04 H new ATOM 0 HB2 LEU A 51 -15.539 3.751 6.315 1.00 70.42 H new ATOM 0 HB3 LEU A 51 -15.694 5.009 5.105 1.00 70.42 H new ATOM 0 HG LEU A 51 -17.680 3.068 4.509 1.00 40.44 H new ATOM 0 HD11 LEU A 51 -18.976 3.048 6.603 1.00 43.10 H new ATOM 0 HD12 LEU A 51 -17.416 2.211 6.784 1.00 43.10 H new ATOM 0 HD13 LEU A 51 -17.627 3.852 7.440 1.00 43.10 H new ATOM 0 HD21 LEU A 51 -19.208 4.932 5.027 1.00 62.12 H new ATOM 0 HD22 LEU A 51 -17.867 5.809 5.802 1.00 62.12 H new ATOM 0 HD23 LEU A 51 -17.817 5.470 4.056 1.00 62.12 H new ATOM 822 N GLU A 52 -12.794 3.350 3.672 1.00 60.20 N ATOM 823 CA GLU A 52 -11.352 3.399 3.882 1.00 62.05 C ATOM 824 C GLU A 52 -10.773 4.716 3.373 1.00 3.12 C ATOM 825 O GLU A 52 -9.574 4.969 3.499 1.00 54.24 O ATOM 826 CB GLU A 52 -10.671 2.224 3.176 1.00 12.01 C ATOM 827 CG GLU A 52 -11.358 0.890 3.415 1.00 53.01 C ATOM 828 CD GLU A 52 -12.090 0.383 2.187 1.00 20.35 C ATOM 829 OE1 GLU A 52 -13.090 1.016 1.788 1.00 25.51 O ATOM 830 OE2 GLU A 52 -11.662 -0.648 1.626 1.00 12.23 O ATOM 0 H GLU A 52 -13.085 3.499 2.706 1.00 60.20 H new ATOM 0 HA GLU A 52 -11.164 3.329 4.953 1.00 62.05 H new ATOM 0 HB2 GLU A 52 -10.643 2.422 2.104 1.00 12.01 H new ATOM 0 HB3 GLU A 52 -9.637 2.157 3.515 1.00 12.01 H new ATOM 0 HG2 GLU A 52 -10.616 0.153 3.721 1.00 53.01 H new ATOM 0 HG3 GLU A 52 -12.065 0.992 4.239 1.00 53.01 H new ATOM 837 N ASP A 53 -11.632 5.551 2.799 1.00 71.30 N ATOM 838 CA ASP A 53 -11.207 6.842 2.272 1.00 53.33 C ATOM 839 C ASP A 53 -10.473 7.649 3.338 1.00 43.45 C ATOM 840 O ASP A 53 -9.468 8.300 3.053 1.00 24.24 O ATOM 841 CB ASP A 53 -12.414 7.630 1.759 1.00 32.24 C ATOM 842 CG ASP A 53 -12.144 8.302 0.427 1.00 32.44 C ATOM 843 OD1 ASP A 53 -11.401 9.305 0.409 1.00 23.52 O ATOM 844 OD2 ASP A 53 -12.677 7.825 -0.597 1.00 31.12 O ATOM 0 H ASP A 53 -12.627 5.357 2.687 1.00 71.30 H new ATOM 0 HA ASP A 53 -10.522 6.661 1.443 1.00 53.33 H new ATOM 0 HB2 ASP A 53 -13.266 6.958 1.657 1.00 32.24 H new ATOM 0 HB3 ASP A 53 -12.690 8.386 2.494 1.00 32.24 H new ATOM 849 N GLU A 54 -10.983 7.603 4.564 1.00 22.33 N ATOM 850 CA GLU A 54 -10.376 8.332 5.672 1.00 65.44 C ATOM 851 C GLU A 54 -9.015 7.740 6.031 1.00 15.43 C ATOM 852 O GLU A 54 -8.177 8.406 6.639 1.00 0.31 O ATOM 853 CB GLU A 54 -11.295 8.305 6.894 1.00 30.23 C ATOM 854 CG GLU A 54 -11.629 9.685 7.435 1.00 24.14 C ATOM 855 CD GLU A 54 -12.679 9.645 8.529 1.00 63.24 C ATOM 856 OE1 GLU A 54 -12.751 8.625 9.246 1.00 42.23 O ATOM 857 OE2 GLU A 54 -13.428 10.634 8.667 1.00 53.22 O ATOM 0 H GLU A 54 -11.815 7.069 4.816 1.00 22.33 H new ATOM 0 HA GLU A 54 -10.232 9.366 5.358 1.00 65.44 H new ATOM 0 HB2 GLU A 54 -12.221 7.793 6.631 1.00 30.23 H new ATOM 0 HB3 GLU A 54 -10.821 7.720 7.682 1.00 30.23 H new ATOM 0 HG2 GLU A 54 -10.722 10.148 7.824 1.00 24.14 H new ATOM 0 HG3 GLU A 54 -11.984 10.315 6.619 1.00 24.14 H new ATOM 864 N LYS A 55 -8.804 6.485 5.652 1.00 21.30 N ATOM 865 CA LYS A 55 -7.547 5.802 5.933 1.00 63.43 C ATOM 866 C LYS A 55 -6.614 5.861 4.727 1.00 73.10 C ATOM 867 O LYS A 55 -5.923 4.890 4.417 1.00 51.52 O ATOM 868 CB LYS A 55 -7.809 4.344 6.317 1.00 72.45 C ATOM 869 CG LYS A 55 -8.208 4.160 7.771 1.00 65.33 C ATOM 870 CD LYS A 55 -9.666 4.519 7.999 1.00 12.00 C ATOM 871 CE LYS A 55 -10.345 3.528 8.932 1.00 21.10 C ATOM 872 NZ LYS A 55 -10.298 3.979 10.350 1.00 4.43 N ATOM 0 H LYS A 55 -9.488 5.919 5.149 1.00 21.30 H new ATOM 0 HA LYS A 55 -7.066 6.310 6.768 1.00 63.43 H new ATOM 0 HB2 LYS A 55 -8.598 3.945 5.679 1.00 72.45 H new ATOM 0 HB3 LYS A 55 -6.912 3.758 6.118 1.00 72.45 H new ATOM 0 HG2 LYS A 55 -8.036 3.125 8.068 1.00 65.33 H new ATOM 0 HG3 LYS A 55 -7.576 4.782 8.404 1.00 65.33 H new ATOM 0 HD2 LYS A 55 -9.733 5.522 8.421 1.00 12.00 H new ATOM 0 HD3 LYS A 55 -10.191 4.539 7.044 1.00 12.00 H new ATOM 0 HE2 LYS A 55 -11.383 3.395 8.627 1.00 21.10 H new ATOM 0 HE3 LYS A 55 -9.860 2.556 8.844 1.00 21.10 H new ATOM 0 HZ1 LYS A 55 -10.771 3.277 10.954 1.00 4.43 H new ATOM 0 HZ2 LYS A 55 -9.307 4.081 10.649 1.00 4.43 H new ATOM 0 HZ3 LYS A 55 -10.783 4.895 10.439 1.00 4.43 H new ATOM 886 N ARG A 56 -6.599 7.006 4.052 1.00 73.41 N ATOM 887 CA ARG A 56 -5.751 7.191 2.881 1.00 73.24 C ATOM 888 C ARG A 56 -4.320 6.749 3.170 1.00 22.04 C ATOM 889 O ARG A 56 -3.910 5.650 2.794 1.00 45.20 O ATOM 890 CB ARG A 56 -5.765 8.656 2.441 1.00 11.01 C ATOM 891 CG ARG A 56 -5.935 9.635 3.591 1.00 10.21 C ATOM 892 CD ARG A 56 -7.356 10.172 3.660 1.00 10.30 C ATOM 893 NE ARG A 56 -7.390 11.587 4.023 1.00 64.35 N ATOM 894 CZ ARG A 56 -8.434 12.377 3.803 1.00 53.04 C ATOM 895 NH1 ARG A 56 -9.526 11.894 3.225 1.00 24.32 N ATOM 896 NH2 ARG A 56 -8.389 13.654 4.161 1.00 20.21 N ATOM 0 H ARG A 56 -7.164 7.819 4.296 1.00 73.41 H new ATOM 0 HA ARG A 56 -6.148 6.573 2.075 1.00 73.24 H new ATOM 0 HB2 ARG A 56 -4.834 8.879 1.920 1.00 11.01 H new ATOM 0 HB3 ARG A 56 -6.574 8.804 1.726 1.00 11.01 H new ATOM 0 HG2 ARG A 56 -5.685 9.142 4.530 1.00 10.21 H new ATOM 0 HG3 ARG A 56 -5.237 10.464 3.471 1.00 10.21 H new ATOM 0 HD2 ARG A 56 -7.843 10.034 2.695 1.00 10.30 H new ATOM 0 HD3 ARG A 56 -7.926 9.597 4.390 1.00 10.30 H new ATOM 0 HE ARG A 56 -6.566 11.990 4.470 1.00 64.35 H new ATOM 0 HH11 ARG A 56 -9.565 10.913 2.948 1.00 24.32 H new ATOM 0 HH12 ARG A 56 -10.326 12.504 3.057 1.00 24.32 H new ATOM 0 HH21 ARG A 56 -7.552 14.030 4.606 1.00 20.21 H new ATOM 0 HH22 ARG A 56 -9.192 14.260 3.991 1.00 20.21 H new ATOM 910 N LEU A 57 -3.564 7.612 3.841 1.00 73.23 N ATOM 911 CA LEU A 57 -2.178 7.311 4.181 1.00 1.30 C ATOM 912 C LEU A 57 -2.095 6.104 5.110 1.00 45.31 C ATOM 913 O LEU A 57 -1.162 5.305 5.025 1.00 73.54 O ATOM 914 CB LEU A 57 -1.520 8.524 4.842 1.00 61.04 C ATOM 915 CG LEU A 57 0.007 8.573 4.785 1.00 63.03 C ATOM 916 CD1 LEU A 57 0.507 9.981 5.069 1.00 62.14 C ATOM 917 CD2 LEU A 57 0.610 7.582 5.770 1.00 12.32 C ATOM 0 H LEU A 57 -3.888 8.525 4.160 1.00 73.23 H new ATOM 0 HA LEU A 57 -1.647 7.074 3.259 1.00 1.30 H new ATOM 0 HB2 LEU A 57 -1.910 9.426 4.370 1.00 61.04 H new ATOM 0 HB3 LEU A 57 -1.826 8.553 5.888 1.00 61.04 H new ATOM 0 HG LEU A 57 0.323 8.293 3.780 1.00 63.03 H new ATOM 0 HD11 LEU A 57 1.596 9.996 5.024 1.00 62.14 H new ATOM 0 HD12 LEU A 57 0.103 10.667 4.325 1.00 62.14 H new ATOM 0 HD13 LEU A 57 0.180 10.290 6.062 1.00 62.14 H new ATOM 0 HD21 LEU A 57 1.698 7.631 5.715 1.00 12.32 H new ATOM 0 HD22 LEU A 57 0.286 7.830 6.781 1.00 12.32 H new ATOM 0 HD23 LEU A 57 0.279 6.574 5.520 1.00 12.32 H new ATOM 929 N LYS A 58 -3.076 5.977 5.996 1.00 14.30 N ATOM 930 CA LYS A 58 -3.117 4.866 6.939 1.00 14.34 C ATOM 931 C LYS A 58 -3.128 3.529 6.205 1.00 12.32 C ATOM 932 O LYS A 58 -2.695 2.511 6.744 1.00 20.23 O ATOM 933 CB LYS A 58 -4.352 4.977 7.837 1.00 51.54 C ATOM 934 CG LYS A 58 -4.021 5.159 9.308 1.00 44.43 C ATOM 935 CD LYS A 58 -4.522 3.992 10.141 1.00 72.11 C ATOM 936 CE LYS A 58 -3.903 3.992 11.530 1.00 14.23 C ATOM 937 NZ LYS A 58 -4.360 2.829 12.341 1.00 43.31 N ATOM 0 H LYS A 58 -3.854 6.631 6.081 1.00 14.30 H new ATOM 0 HA LYS A 58 -2.220 4.914 7.557 1.00 14.34 H new ATOM 0 HB2 LYS A 58 -4.959 5.819 7.503 1.00 51.54 H new ATOM 0 HB3 LYS A 58 -4.959 4.079 7.718 1.00 51.54 H new ATOM 0 HG2 LYS A 58 -2.942 5.257 9.430 1.00 44.43 H new ATOM 0 HG3 LYS A 58 -4.468 6.084 9.671 1.00 44.43 H new ATOM 0 HD2 LYS A 58 -5.608 4.043 10.225 1.00 72.11 H new ATOM 0 HD3 LYS A 58 -4.286 3.055 9.636 1.00 72.11 H new ATOM 0 HE2 LYS A 58 -2.817 3.970 11.443 1.00 14.23 H new ATOM 0 HE3 LYS A 58 -4.163 4.918 12.044 1.00 14.23 H new ATOM 0 HZ1 LYS A 58 -3.916 2.865 13.281 1.00 43.31 H new ATOM 0 HZ2 LYS A 58 -5.394 2.863 12.445 1.00 43.31 H new ATOM 0 HZ3 LYS A 58 -4.089 1.945 11.864 1.00 43.31 H new ATOM 951 N ASP A 59 -3.624 3.540 4.973 1.00 53.41 N ATOM 952 CA ASP A 59 -3.689 2.329 4.164 1.00 62.22 C ATOM 953 C ASP A 59 -2.351 2.059 3.482 1.00 30.21 C ATOM 954 O ASP A 59 -2.106 0.958 2.987 1.00 1.24 O ATOM 955 CB ASP A 59 -4.795 2.449 3.114 1.00 1.24 C ATOM 956 CG ASP A 59 -6.111 1.866 3.591 1.00 41.41 C ATOM 957 OD1 ASP A 59 -6.396 1.958 4.803 1.00 5.21 O ATOM 958 OD2 ASP A 59 -6.856 1.318 2.752 1.00 62.24 O ATOM 0 H ASP A 59 -3.987 4.375 4.513 1.00 53.41 H new ATOM 0 HA ASP A 59 -3.916 1.492 4.825 1.00 62.22 H new ATOM 0 HB2 ASP A 59 -4.937 3.499 2.859 1.00 1.24 H new ATOM 0 HB3 ASP A 59 -4.484 1.939 2.203 1.00 1.24 H new ATOM 963 N TYR A 60 -1.490 3.070 3.459 1.00 30.10 N ATOM 964 CA TYR A 60 -0.178 2.943 2.835 1.00 74.12 C ATOM 965 C TYR A 60 0.764 2.122 3.710 1.00 71.55 C ATOM 966 O TYR A 60 1.764 1.587 3.231 1.00 51.31 O ATOM 967 CB TYR A 60 0.423 4.325 2.576 1.00 12.45 C ATOM 968 CG TYR A 60 1.724 4.286 1.808 1.00 62.22 C ATOM 969 CD1 TYR A 60 1.805 3.654 0.573 1.00 62.11 C ATOM 970 CD2 TYR A 60 2.873 4.879 2.317 1.00 51.04 C ATOM 971 CE1 TYR A 60 2.992 3.614 -0.133 1.00 3.52 C ATOM 972 CE2 TYR A 60 4.064 4.846 1.617 1.00 33.23 C ATOM 973 CZ TYR A 60 4.118 4.212 0.393 1.00 5.23 C ATOM 974 OH TYR A 60 5.303 4.176 -0.306 1.00 22.33 O ATOM 0 H TYR A 60 -1.677 3.987 3.865 1.00 30.10 H new ATOM 0 HA TYR A 60 -0.305 2.426 1.884 1.00 74.12 H new ATOM 0 HB2 TYR A 60 -0.298 4.927 2.023 1.00 12.45 H new ATOM 0 HB3 TYR A 60 0.589 4.824 3.531 1.00 12.45 H new ATOM 0 HD1 TYR A 60 0.925 3.186 0.158 1.00 62.11 H new ATOM 0 HD2 TYR A 60 2.835 5.374 3.276 1.00 51.04 H new ATOM 0 HE1 TYR A 60 3.038 3.117 -1.091 1.00 3.52 H new ATOM 0 HE2 TYR A 60 4.947 5.314 2.026 1.00 33.23 H new ATOM 0 HH TYR A 60 5.997 4.644 0.203 1.00 22.33 H new ATOM 984 N GLN A 61 0.436 2.026 4.994 1.00 74.21 N ATOM 985 CA GLN A 61 1.252 1.270 5.936 1.00 21.22 C ATOM 986 C GLN A 61 0.975 -0.225 5.819 1.00 21.31 C ATOM 987 O GLN A 61 1.636 -1.041 6.461 1.00 0.24 O ATOM 988 CB GLN A 61 0.984 1.740 7.367 1.00 22.30 C ATOM 989 CG GLN A 61 2.185 2.399 8.026 1.00 41.23 C ATOM 990 CD GLN A 61 1.911 2.814 9.458 1.00 74.31 C ATOM 991 OE1 GLN A 61 1.729 1.970 10.336 1.00 0.35 O ATOM 992 NE2 GLN A 61 1.879 4.119 9.701 1.00 21.20 N ATOM 0 H GLN A 61 -0.389 2.462 5.406 1.00 74.21 H new ATOM 0 HA GLN A 61 2.300 1.447 5.693 1.00 21.22 H new ATOM 0 HB2 GLN A 61 0.152 2.444 7.359 1.00 22.30 H new ATOM 0 HB3 GLN A 61 0.673 0.886 7.969 1.00 22.30 H new ATOM 0 HG2 GLN A 61 3.029 1.709 8.007 1.00 41.23 H new ATOM 0 HG3 GLN A 61 2.477 3.275 7.447 1.00 41.23 H new ATOM 0 HE21 GLN A 61 2.035 4.783 8.943 1.00 21.20 H new ATOM 0 HE22 GLN A 61 1.698 4.458 10.646 1.00 21.20 H new ATOM 1001 N MET A 62 -0.006 -0.578 4.995 1.00 15.52 N ATOM 1002 CA MET A 62 -0.370 -1.975 4.794 1.00 70.32 C ATOM 1003 C MET A 62 0.481 -2.606 3.696 1.00 53.53 C ATOM 1004 O MET A 62 1.314 -3.471 3.963 1.00 60.21 O ATOM 1005 CB MET A 62 -1.853 -2.092 4.437 1.00 70.43 C ATOM 1006 CG MET A 62 -2.750 -1.182 5.260 1.00 70.32 C ATOM 1007 SD MET A 62 -2.640 -1.513 7.029 1.00 64.32 S ATOM 1008 CE MET A 62 -1.692 -0.097 7.580 1.00 50.32 C ATOM 0 H MET A 62 -0.563 0.085 4.456 1.00 15.52 H new ATOM 0 HA MET A 62 -0.185 -2.510 5.725 1.00 70.32 H new ATOM 0 HB2 MET A 62 -1.983 -1.858 3.380 1.00 70.43 H new ATOM 0 HB3 MET A 62 -2.171 -3.125 4.576 1.00 70.43 H new ATOM 0 HG2 MET A 62 -2.479 -0.143 5.071 1.00 70.32 H new ATOM 0 HG3 MET A 62 -3.783 -1.306 4.935 1.00 70.32 H new ATOM 0 HE1 MET A 62 -0.783 -0.438 8.075 1.00 50.32 H new ATOM 0 HE2 MET A 62 -1.428 0.521 6.722 1.00 50.32 H new ATOM 0 HE3 MET A 62 -2.287 0.489 8.280 1.00 50.32 H new ATOM 1018 N SER A 63 0.265 -2.166 2.460 1.00 13.11 N ATOM 1019 CA SER A 63 1.009 -2.690 1.321 1.00 20.30 C ATOM 1020 C SER A 63 0.917 -4.212 1.266 1.00 31.20 C ATOM 1021 O SER A 63 1.815 -4.881 0.756 1.00 21.33 O ATOM 1022 CB SER A 63 2.475 -2.259 1.401 1.00 72.34 C ATOM 1023 OG SER A 63 2.585 -0.876 1.686 1.00 52.43 O ATOM 0 H SER A 63 -0.419 -1.448 2.222 1.00 13.11 H new ATOM 0 HA SER A 63 0.567 -2.283 0.411 1.00 20.30 H new ATOM 0 HB2 SER A 63 2.985 -2.834 2.174 1.00 72.34 H new ATOM 0 HB3 SER A 63 2.974 -2.480 0.458 1.00 72.34 H new ATOM 0 HG SER A 63 3.531 -0.626 1.734 1.00 52.43 H new ATOM 1029 N ALA A 64 -0.176 -4.752 1.795 1.00 13.01 N ATOM 1030 CA ALA A 64 -0.388 -6.194 1.805 1.00 31.11 C ATOM 1031 C ALA A 64 -1.751 -6.545 2.392 1.00 11.32 C ATOM 1032 O ALA A 64 -1.859 -7.402 3.267 1.00 22.54 O ATOM 1033 CB ALA A 64 0.719 -6.885 2.587 1.00 2.34 C ATOM 0 H ALA A 64 -0.929 -4.212 2.222 1.00 13.01 H new ATOM 0 HA ALA A 64 -0.364 -6.547 0.774 1.00 31.11 H new ATOM 0 HB1 ALA A 64 0.548 -7.961 2.586 1.00 2.34 H new ATOM 0 HB2 ALA A 64 1.681 -6.670 2.122 1.00 2.34 H new ATOM 0 HB3 ALA A 64 0.722 -6.519 3.614 1.00 2.34 H new ATOM 1039 N GLY A 65 -2.791 -5.874 1.905 1.00 63.34 N ATOM 1040 CA GLY A 65 -4.133 -6.129 2.394 1.00 71.04 C ATOM 1041 C GLY A 65 -5.111 -6.426 1.274 1.00 13.14 C ATOM 1042 O GLY A 65 -5.279 -5.622 0.358 1.00 12.22 O ATOM 0 H GLY A 65 -2.728 -5.159 1.181 1.00 63.34 H new ATOM 0 HA2 GLY A 65 -4.111 -6.971 3.086 1.00 71.04 H new ATOM 0 HA3 GLY A 65 -4.482 -5.263 2.957 1.00 71.04 H new ATOM 1046 N ALA A 66 -5.758 -7.585 1.347 1.00 5.04 N ATOM 1047 CA ALA A 66 -6.724 -7.986 0.333 1.00 52.12 C ATOM 1048 C ALA A 66 -7.898 -7.013 0.278 1.00 65.52 C ATOM 1049 O ALA A 66 -8.437 -6.616 1.311 1.00 54.32 O ATOM 1050 CB ALA A 66 -7.219 -9.399 0.605 1.00 53.35 C ATOM 0 H ALA A 66 -5.630 -8.263 2.099 1.00 5.04 H new ATOM 0 HA ALA A 66 -6.225 -7.968 -0.636 1.00 52.12 H new ATOM 0 HB1 ALA A 66 -7.940 -9.686 -0.160 1.00 53.35 H new ATOM 0 HB2 ALA A 66 -6.376 -10.090 0.586 1.00 53.35 H new ATOM 0 HB3 ALA A 66 -7.696 -9.435 1.584 1.00 53.35 H new ATOM 1056 N THR A 67 -8.288 -6.633 -0.935 1.00 14.45 N ATOM 1057 CA THR A 67 -9.396 -5.705 -1.124 1.00 75.21 C ATOM 1058 C THR A 67 -10.471 -6.308 -2.022 1.00 23.20 C ATOM 1059 O THR A 67 -10.165 -6.980 -3.008 1.00 11.53 O ATOM 1060 CB THR A 67 -8.918 -4.376 -1.737 1.00 42.34 C ATOM 1061 OG1 THR A 67 -7.511 -4.435 -1.997 1.00 42.42 O ATOM 1062 CG2 THR A 67 -9.218 -3.211 -0.806 1.00 54.13 C ATOM 0 H THR A 67 -7.853 -6.953 -1.800 1.00 14.45 H new ATOM 0 HA THR A 67 -9.817 -5.511 -0.137 1.00 75.21 H new ATOM 0 HB THR A 67 -9.454 -4.220 -2.673 1.00 42.34 H new ATOM 0 HG1 THR A 67 -7.307 -5.244 -2.511 1.00 42.42 H new ATOM 0 HG21 THR A 67 -8.871 -2.283 -1.261 1.00 54.13 H new ATOM 0 HG22 THR A 67 -10.293 -3.151 -0.633 1.00 54.13 H new ATOM 0 HG23 THR A 67 -8.706 -3.363 0.144 1.00 54.13 H new ATOM 1070 N PHE A 68 -11.730 -6.064 -1.676 1.00 33.35 N ATOM 1071 CA PHE A 68 -12.851 -6.584 -2.451 1.00 23.02 C ATOM 1072 C PHE A 68 -13.849 -5.476 -2.773 1.00 72.14 C ATOM 1073 O PHE A 68 -14.501 -4.933 -1.881 1.00 5.42 O ATOM 1074 CB PHE A 68 -13.550 -7.709 -1.685 1.00 20.10 C ATOM 1075 CG PHE A 68 -14.890 -8.079 -2.254 1.00 10.31 C ATOM 1076 CD1 PHE A 68 -14.987 -8.679 -3.499 1.00 31.22 C ATOM 1077 CD2 PHE A 68 -16.053 -7.826 -1.544 1.00 25.24 C ATOM 1078 CE1 PHE A 68 -16.219 -9.019 -4.025 1.00 20.52 C ATOM 1079 CE2 PHE A 68 -17.287 -8.165 -2.064 1.00 53.34 C ATOM 1080 CZ PHE A 68 -17.370 -8.763 -3.306 1.00 74.13 C ATOM 0 H PHE A 68 -12.000 -5.509 -0.864 1.00 33.35 H new ATOM 0 HA PHE A 68 -12.460 -6.981 -3.388 1.00 23.02 H new ATOM 0 HB2 PHE A 68 -12.909 -8.590 -1.684 1.00 20.10 H new ATOM 0 HB3 PHE A 68 -13.677 -7.406 -0.646 1.00 20.10 H new ATOM 0 HD1 PHE A 68 -14.090 -8.883 -4.065 1.00 31.22 H new ATOM 0 HD2 PHE A 68 -15.994 -7.358 -0.572 1.00 25.24 H new ATOM 0 HE1 PHE A 68 -16.282 -9.485 -4.998 1.00 20.52 H new ATOM 0 HE2 PHE A 68 -18.186 -7.963 -1.500 1.00 53.34 H new ATOM 0 HZ PHE A 68 -18.333 -9.030 -3.714 1.00 74.13 H new ATOM 1090 N HIS A 69 -13.964 -5.146 -4.056 1.00 4.11 N ATOM 1091 CA HIS A 69 -14.882 -4.103 -4.498 1.00 15.23 C ATOM 1092 C HIS A 69 -16.237 -4.696 -4.875 1.00 43.30 C ATOM 1093 O HIS A 69 -16.313 -5.798 -5.416 1.00 61.41 O ATOM 1094 CB HIS A 69 -14.294 -3.347 -5.689 1.00 40.52 C ATOM 1095 CG HIS A 69 -13.062 -2.565 -5.353 1.00 3.52 C ATOM 1096 ND1 HIS A 69 -12.876 -1.252 -5.734 1.00 64.50 N ATOM 1097 CD2 HIS A 69 -11.950 -2.916 -4.665 1.00 33.21 C ATOM 1098 CE1 HIS A 69 -11.702 -0.831 -5.297 1.00 33.53 C ATOM 1099 NE2 HIS A 69 -11.121 -1.822 -4.644 1.00 41.12 N ATOM 0 H HIS A 69 -13.433 -5.586 -4.807 1.00 4.11 H new ATOM 0 HA HIS A 69 -15.027 -3.407 -3.672 1.00 15.23 H new ATOM 0 HB2 HIS A 69 -14.058 -4.059 -6.480 1.00 40.52 H new ATOM 0 HB3 HIS A 69 -15.048 -2.668 -6.086 1.00 40.52 H new ATOM 0 HD1 HIS A 69 -13.541 -0.694 -6.269 1.00 64.50 H new ATOM 0 HD2 HIS A 69 -11.752 -3.878 -4.216 1.00 33.21 H new ATOM 0 HE1 HIS A 69 -11.288 0.155 -5.448 1.00 33.53 H new ATOM 1107 N MET A 70 -17.302 -3.957 -4.585 1.00 14.41 N ATOM 1108 CA MET A 70 -18.653 -4.410 -4.894 1.00 55.24 C ATOM 1109 C MET A 70 -19.421 -3.342 -5.668 1.00 32.43 C ATOM 1110 O MET A 70 -19.476 -2.183 -5.257 1.00 60.12 O ATOM 1111 CB MET A 70 -19.403 -4.763 -3.608 1.00 52.33 C ATOM 1112 CG MET A 70 -20.837 -5.208 -3.844 1.00 33.53 C ATOM 1113 SD MET A 70 -21.190 -6.823 -3.122 1.00 12.43 S ATOM 1114 CE MET A 70 -22.855 -7.104 -3.718 1.00 55.55 C ATOM 0 H MET A 70 -17.256 -3.042 -4.137 1.00 14.41 H new ATOM 0 HA MET A 70 -18.577 -5.301 -5.517 1.00 55.24 H new ATOM 0 HB2 MET A 70 -18.865 -5.557 -3.090 1.00 52.33 H new ATOM 0 HB3 MET A 70 -19.404 -3.896 -2.948 1.00 52.33 H new ATOM 0 HG2 MET A 70 -21.517 -4.469 -3.421 1.00 33.53 H new ATOM 0 HG3 MET A 70 -21.031 -5.243 -4.916 1.00 33.53 H new ATOM 0 HE1 MET A 70 -23.214 -8.067 -3.354 1.00 55.55 H new ATOM 0 HE2 MET A 70 -23.510 -6.312 -3.355 1.00 55.55 H new ATOM 0 HE3 MET A 70 -22.856 -7.105 -4.808 1.00 55.55 H new ATOM 1124 N VAL A 71 -20.013 -3.741 -6.789 1.00 63.05 N ATOM 1125 CA VAL A 71 -20.778 -2.819 -7.620 1.00 1.43 C ATOM 1126 C VAL A 71 -22.198 -3.327 -7.840 1.00 53.41 C ATOM 1127 O VAL A 71 -22.413 -4.321 -8.533 1.00 71.12 O ATOM 1128 CB VAL A 71 -20.103 -2.603 -8.988 1.00 35.24 C ATOM 1129 CG1 VAL A 71 -20.907 -1.625 -9.831 1.00 4.31 C ATOM 1130 CG2 VAL A 71 -18.674 -2.115 -8.806 1.00 13.25 C ATOM 0 H VAL A 71 -19.978 -4.697 -7.143 1.00 63.05 H new ATOM 0 HA VAL A 71 -20.814 -1.869 -7.088 1.00 1.43 H new ATOM 0 HB VAL A 71 -20.072 -3.558 -9.513 1.00 35.24 H new ATOM 0 HG11 VAL A 71 -20.415 -1.485 -10.794 1.00 4.31 H new ATOM 0 HG12 VAL A 71 -21.910 -2.021 -9.990 1.00 4.31 H new ATOM 0 HG13 VAL A 71 -20.973 -0.668 -9.314 1.00 4.31 H new ATOM 0 HG21 VAL A 71 -18.213 -1.968 -9.783 1.00 13.25 H new ATOM 0 HG22 VAL A 71 -18.679 -1.171 -8.261 1.00 13.25 H new ATOM 0 HG23 VAL A 71 -18.105 -2.856 -8.244 1.00 13.25 H new ATOM 1140 N VAL A 72 -23.167 -2.637 -7.246 1.00 4.42 N ATOM 1141 CA VAL A 72 -24.568 -3.016 -7.378 1.00 70.51 C ATOM 1142 C VAL A 72 -25.227 -2.289 -8.545 1.00 63.40 C ATOM 1143 O VAL A 72 -25.536 -1.102 -8.454 1.00 54.15 O ATOM 1144 CB VAL A 72 -25.355 -2.715 -6.089 1.00 55.42 C ATOM 1145 CG1 VAL A 72 -26.562 -3.634 -5.973 1.00 3.14 C ATOM 1146 CG2 VAL A 72 -24.454 -2.847 -4.871 1.00 61.32 C ATOM 0 H VAL A 72 -23.006 -1.812 -6.668 1.00 4.42 H new ATOM 0 HA VAL A 72 -24.589 -4.090 -7.565 1.00 70.51 H new ATOM 0 HB VAL A 72 -25.715 -1.687 -6.136 1.00 55.42 H new ATOM 0 HG11 VAL A 72 -27.106 -3.407 -5.056 1.00 3.14 H new ATOM 0 HG12 VAL A 72 -27.218 -3.483 -6.831 1.00 3.14 H new ATOM 0 HG13 VAL A 72 -26.228 -4.671 -5.949 1.00 3.14 H new ATOM 0 HG21 VAL A 72 -25.027 -2.631 -3.969 1.00 61.32 H new ATOM 0 HG22 VAL A 72 -24.062 -3.863 -4.817 1.00 61.32 H new ATOM 0 HG23 VAL A 72 -23.626 -2.142 -4.953 1.00 61.32 H new