USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 863 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 7 TYR OH : rot -35:sc= 0.471 USER MOD Set 1.2: A 29 SER OG : rot 180:sc= 0.446 USER MOD Set 2.1: A 8 ASN : amide:sc= -3.07 K(o=-3.1,f=-7.8!) USER MOD Set 2.2: A 18 THR OG1 : rot -34:sc= 0.0187 USER MOD Single : A 1 MET CE :methyl -161:sc= -7.55! (180deg=-8.45!) USER MOD Single : A 1 MET N :NH3+ 155:sc= -0.224 (180deg=-1.25!) USER MOD Single : A 2 THR OG1 : rot 113:sc= 0.302 USER MOD Single : A 4 CYS SG : rot 180:sc= -0.0483 USER MOD Single : A 6 MET CE :methyl 160:sc= -0.0604 (180deg=-0.595) USER MOD Single : A 10 SER OG : rot 180:sc= -0.798 USER MOD Single : A 11 MET CE :methyl 169:sc= -0.314 (180deg=-0.549) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0891 X(o=-0.089,f=-0.007) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 42:sc= -0.0246 USER MOD Single : A 23 MET CE :methyl 171:sc= -2.41 (180deg=-2.96!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.676 USER MOD Single : A 40 ASN : amide:sc= -0.566 X(o=-0.57,f=-0.95) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -124:sc= -3! (180deg=-8.5!) USER MOD Single : A 46 MET CE :methyl 155:sc= -0.118 (180deg=-0.558) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 60:sc= 0.89 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.063) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.446 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.241 F(o=-1.4,f=-0.24) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 167:sc=-0.00312 (180deg=-0.107) USER MOD Single : A 77 MET CE :methyl 151:sc= -5.72! (180deg=-9.07!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 38:sc= 0.442 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0563 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl -122:sc= -7.11! (180deg=-9.3!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -158:sc= -0.0144 (180deg=-0.514) USER MOD Single : A 95 THR OG1 : rot -83:sc= 1.23 USER MOD Single : A 98 LYS NZ :NH3+ -116:sc= 0.0905 (180deg=-0.0164) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.127 K(o=-0.13,f=-2.2!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= -0.487 (180deg=-0.487) USER MOD Single : A 105 LYS NZ :NH3+ 162:sc= -0.0594 (180deg=-0.362) USER MOD Single : A 108 THR OG1 : rot 29:sc= 0.0333 USER MOD Single : A 110 MET CE :methyl -161:sc= -0.059 (180deg=-0.476) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.422 -0.492 0.313 1.00 43.34 N ATOM 2 CA MET A 1 2.163 -0.145 -0.895 1.00 32.30 C ATOM 3 C MET A 1 3.529 -0.823 -0.908 1.00 23.10 C ATOM 4 O MET A 1 4.043 -1.228 0.135 1.00 23.33 O ATOM 5 CB MET A 1 2.332 1.372 -0.998 1.00 31.33 C ATOM 6 CG MET A 1 2.621 2.043 0.335 1.00 24.42 C ATOM 7 SD MET A 1 3.974 3.231 0.236 1.00 72.14 S ATOM 8 CE MET A 1 5.293 2.191 -0.387 1.00 53.32 C ATOM 0 H1 MET A 1 0.730 0.256 0.523 1.00 43.34 H new ATOM 0 H2 MET A 1 0.924 -1.394 0.168 1.00 43.34 H new ATOM 0 H3 MET A 1 2.083 -0.586 1.111 1.00 43.34 H new ATOM 0 HA MET A 1 1.593 -0.498 -1.755 1.00 32.30 H new ATOM 0 HB2 MET A 1 3.145 1.593 -1.690 1.00 31.33 H new ATOM 0 HB3 MET A 1 1.425 1.802 -1.423 1.00 31.33 H new ATOM 0 HG2 MET A 1 1.722 2.551 0.684 1.00 24.42 H new ATOM 0 HG3 MET A 1 2.865 1.281 1.075 1.00 24.42 H new ATOM 0 HE1 MET A 1 6.254 2.665 -0.189 1.00 53.32 H new ATOM 0 HE2 MET A 1 5.257 1.221 0.110 1.00 53.32 H new ATOM 0 HE3 MET A 1 5.171 2.053 -1.461 1.00 53.32 H new ATOM 18 N THR A 2 4.114 -0.944 -2.096 1.00 0.21 N ATOM 19 CA THR A 2 5.420 -1.574 -2.245 1.00 12.35 C ATOM 20 C THR A 2 6.505 -0.535 -2.502 1.00 3.33 C ATOM 21 O THR A 2 6.352 0.340 -3.355 1.00 11.42 O ATOM 22 CB THR A 2 5.422 -2.597 -3.395 1.00 60.44 C ATOM 23 OG1 THR A 2 4.185 -3.319 -3.411 1.00 64.24 O ATOM 24 CG2 THR A 2 6.582 -3.571 -3.251 1.00 73.41 C ATOM 0 H THR A 2 3.703 -0.614 -2.969 1.00 0.21 H new ATOM 0 HA THR A 2 5.630 -2.091 -1.309 1.00 12.35 H new ATOM 0 HB THR A 2 5.538 -2.055 -4.334 1.00 60.44 H new ATOM 0 HG1 THR A 2 3.682 -3.089 -4.220 1.00 64.24 H new ATOM 0 HG21 THR A 2 6.563 -4.284 -4.075 1.00 73.41 H new ATOM 0 HG22 THR A 2 7.523 -3.021 -3.269 1.00 73.41 H new ATOM 0 HG23 THR A 2 6.492 -4.106 -2.306 1.00 73.41 H new ATOM 32 N LEU A 3 7.603 -0.637 -1.760 1.00 14.41 N ATOM 33 CA LEU A 3 8.716 0.295 -1.908 1.00 73.34 C ATOM 34 C LEU A 3 9.974 -0.431 -2.374 1.00 41.53 C ATOM 35 O LEU A 3 10.349 -1.464 -1.818 1.00 52.34 O ATOM 36 CB LEU A 3 8.987 1.011 -0.584 1.00 52.34 C ATOM 37 CG LEU A 3 9.033 2.538 -0.645 1.00 1.50 C ATOM 38 CD1 LEU A 3 8.118 3.057 -1.744 1.00 4.14 C ATOM 39 CD2 LEU A 3 8.648 3.137 0.700 1.00 55.53 C ATOM 0 H LEU A 3 7.746 -1.355 -1.050 1.00 14.41 H new ATOM 0 HA LEU A 3 8.443 1.033 -2.663 1.00 73.34 H new ATOM 0 HB2 LEU A 3 8.216 0.719 0.129 1.00 52.34 H new ATOM 0 HB3 LEU A 3 9.938 0.654 -0.189 1.00 52.34 H new ATOM 0 HG LEU A 3 10.053 2.843 -0.877 1.00 1.50 H new ATOM 0 HD11 LEU A 3 8.164 4.146 -1.772 1.00 4.14 H new ATOM 0 HD12 LEU A 3 8.439 2.655 -2.705 1.00 4.14 H new ATOM 0 HD13 LEU A 3 7.094 2.742 -1.544 1.00 4.14 H new ATOM 0 HD21 LEU A 3 8.686 4.225 0.638 1.00 55.53 H new ATOM 0 HD22 LEU A 3 7.637 2.824 0.962 1.00 55.53 H new ATOM 0 HD23 LEU A 3 9.344 2.792 1.464 1.00 55.53 H new ATOM 51 N CYS A 4 10.623 0.118 -3.395 1.00 51.13 N ATOM 52 CA CYS A 4 11.841 -0.476 -3.935 1.00 52.22 C ATOM 53 C CYS A 4 13.007 0.503 -3.850 1.00 3.14 C ATOM 54 O CYS A 4 12.809 1.716 -3.791 1.00 44.22 O ATOM 55 CB CYS A 4 11.624 -0.904 -5.387 1.00 51.24 C ATOM 56 SG CYS A 4 10.124 -1.878 -5.654 1.00 11.33 S ATOM 0 H CYS A 4 10.326 0.973 -3.865 1.00 51.13 H new ATOM 0 HA CYS A 4 12.083 -1.355 -3.337 1.00 52.22 H new ATOM 0 HB2 CYS A 4 11.583 -0.014 -6.015 1.00 51.24 H new ATOM 0 HB3 CYS A 4 12.485 -1.486 -5.716 1.00 51.24 H new ATOM 0 HG CYS A 4 10.027 -2.190 -6.912 1.00 11.33 H new ATOM 62 N ALA A 5 14.223 -0.033 -3.841 1.00 43.01 N ATOM 63 CA ALA A 5 15.422 0.793 -3.763 1.00 13.12 C ATOM 64 C ALA A 5 16.516 0.262 -4.683 1.00 33.01 C ATOM 65 O ALA A 5 16.689 -0.948 -4.823 1.00 34.45 O ATOM 66 CB ALA A 5 15.923 0.861 -2.328 1.00 22.11 C ATOM 0 H ALA A 5 14.404 -1.036 -3.887 1.00 43.01 H new ATOM 0 HA ALA A 5 15.163 1.799 -4.094 1.00 13.12 H new ATOM 0 HB1 ALA A 5 16.819 1.481 -2.284 1.00 22.11 H new ATOM 0 HB2 ALA A 5 15.150 1.294 -1.693 1.00 22.11 H new ATOM 0 HB3 ALA A 5 16.160 -0.144 -1.977 1.00 22.11 H new ATOM 72 N MET A 6 17.251 1.175 -5.309 1.00 11.12 N ATOM 73 CA MET A 6 18.329 0.797 -6.216 1.00 12.34 C ATOM 74 C MET A 6 19.680 1.252 -5.673 1.00 40.02 C ATOM 75 O MET A 6 19.894 2.440 -5.429 1.00 71.23 O ATOM 76 CB MET A 6 18.093 1.401 -7.602 1.00 21.24 C ATOM 77 CG MET A 6 19.059 0.890 -8.659 1.00 13.32 C ATOM 78 SD MET A 6 18.897 1.765 -10.227 1.00 62.12 S ATOM 79 CE MET A 6 19.553 3.373 -9.787 1.00 71.35 C ATOM 0 H MET A 6 17.120 2.181 -5.205 1.00 11.12 H new ATOM 0 HA MET A 6 18.338 -0.290 -6.298 1.00 12.34 H new ATOM 0 HB2 MET A 6 17.073 1.181 -7.917 1.00 21.24 H new ATOM 0 HB3 MET A 6 18.179 2.486 -7.536 1.00 21.24 H new ATOM 0 HG2 MET A 6 20.080 0.994 -8.293 1.00 13.32 H new ATOM 0 HG3 MET A 6 18.885 -0.174 -8.821 1.00 13.32 H new ATOM 0 HE1 MET A 6 19.852 3.904 -10.691 1.00 71.35 H new ATOM 0 HE2 MET A 6 18.788 3.948 -9.265 1.00 71.35 H new ATOM 0 HE3 MET A 6 20.419 3.247 -9.137 1.00 71.35 H new ATOM 89 N TYR A 7 20.588 0.301 -5.487 1.00 31.44 N ATOM 90 CA TYR A 7 21.917 0.604 -4.970 1.00 65.53 C ATOM 91 C TYR A 7 22.995 0.211 -5.976 1.00 61.43 C ATOM 92 O TYR A 7 22.878 -0.803 -6.663 1.00 62.15 O ATOM 93 CB TYR A 7 22.151 -0.124 -3.645 1.00 61.34 C ATOM 94 CG TYR A 7 22.384 -1.610 -3.804 1.00 14.15 C ATOM 95 CD1 TYR A 7 21.318 -2.487 -3.967 1.00 2.51 C ATOM 96 CD2 TYR A 7 23.669 -2.137 -3.790 1.00 44.15 C ATOM 97 CE1 TYR A 7 21.526 -3.845 -4.111 1.00 2.41 C ATOM 98 CE2 TYR A 7 23.887 -3.493 -3.935 1.00 71.42 C ATOM 99 CZ TYR A 7 22.812 -4.343 -4.095 1.00 21.14 C ATOM 100 OH TYR A 7 23.024 -5.695 -4.239 1.00 74.22 O ATOM 0 H TYR A 7 20.428 -0.686 -5.687 1.00 31.44 H new ATOM 0 HA TYR A 7 21.977 1.679 -4.801 1.00 65.53 H new ATOM 0 HB2 TYR A 7 23.012 0.319 -3.144 1.00 61.34 H new ATOM 0 HB3 TYR A 7 21.289 0.033 -2.997 1.00 61.34 H new ATOM 0 HD1 TYR A 7 20.310 -2.100 -3.981 1.00 2.51 H new ATOM 0 HD2 TYR A 7 24.513 -1.475 -3.663 1.00 44.15 H new ATOM 0 HE1 TYR A 7 20.686 -4.513 -4.235 1.00 2.41 H new ATOM 0 HE2 TYR A 7 24.893 -3.886 -3.923 1.00 71.42 H new ATOM 0 HH TYR A 7 22.303 -6.188 -3.796 1.00 74.22 H new ATOM 110 N ASN A 8 24.045 1.022 -6.056 1.00 21.53 N ATOM 111 CA ASN A 8 25.145 0.760 -6.977 1.00 71.21 C ATOM 112 C ASN A 8 26.447 0.523 -6.217 1.00 54.42 C ATOM 113 O ASN A 8 26.784 1.269 -5.298 1.00 4.45 O ATOM 114 CB ASN A 8 25.314 1.930 -7.948 1.00 54.12 C ATOM 115 CG ASN A 8 26.656 1.907 -8.654 1.00 12.13 C ATOM 116 OD1 ASN A 8 26.785 1.358 -9.748 1.00 51.52 O ATOM 117 ND2 ASN A 8 27.663 2.504 -8.028 1.00 2.41 N ATOM 0 H ASN A 8 24.157 1.866 -5.494 1.00 21.53 H new ATOM 0 HA ASN A 8 24.906 -0.141 -7.542 1.00 71.21 H new ATOM 0 HB2 ASN A 8 24.516 1.901 -8.690 1.00 54.12 H new ATOM 0 HB3 ASN A 8 25.209 2.868 -7.403 1.00 54.12 H new ATOM 0 HD21 ASN A 8 28.590 2.520 -8.453 1.00 2.41 H new ATOM 0 HD22 ASN A 8 27.510 2.947 -7.122 1.00 2.41 H new ATOM 124 N ILE A 9 27.173 -0.518 -6.608 1.00 73.34 N ATOM 125 CA ILE A 9 28.438 -0.852 -5.965 1.00 53.45 C ATOM 126 C ILE A 9 29.605 -0.689 -6.933 1.00 24.43 C ATOM 127 O ILE A 9 29.576 -1.206 -8.050 1.00 21.04 O ATOM 128 CB ILE A 9 28.431 -2.293 -5.424 1.00 21.24 C ATOM 129 CG1 ILE A 9 27.664 -3.215 -6.374 1.00 21.01 C ATOM 130 CG2 ILE A 9 27.820 -2.333 -4.031 1.00 3.32 C ATOM 131 CD1 ILE A 9 27.541 -4.636 -5.869 1.00 51.33 C ATOM 0 H ILE A 9 26.907 -1.145 -7.367 1.00 73.34 H new ATOM 0 HA ILE A 9 28.561 -0.161 -5.131 1.00 53.45 H new ATOM 0 HB ILE A 9 29.460 -2.645 -5.359 1.00 21.24 H new ATOM 0 HG12 ILE A 9 26.666 -2.808 -6.536 1.00 21.01 H new ATOM 0 HG13 ILE A 9 28.165 -3.224 -7.342 1.00 21.01 H new ATOM 0 HG21 ILE A 9 27.822 -3.359 -3.662 1.00 3.32 H new ATOM 0 HG22 ILE A 9 28.405 -1.704 -3.359 1.00 3.32 H new ATOM 0 HG23 ILE A 9 26.795 -1.965 -4.073 1.00 3.32 H new ATOM 0 HD11 ILE A 9 26.986 -5.233 -6.593 1.00 51.33 H new ATOM 0 HD12 ILE A 9 28.535 -5.062 -5.734 1.00 51.33 H new ATOM 0 HD13 ILE A 9 27.013 -4.639 -4.915 1.00 51.33 H new ATOM 143 N SER A 10 30.634 0.030 -6.495 1.00 54.40 N ATOM 144 CA SER A 10 31.812 0.263 -7.323 1.00 35.43 C ATOM 145 C SER A 10 33.023 -0.475 -6.762 1.00 64.40 C ATOM 146 O SER A 10 33.407 -0.276 -5.610 1.00 12.22 O ATOM 147 CB SER A 10 32.110 1.760 -7.414 1.00 14.41 C ATOM 148 OG SER A 10 33.211 2.112 -6.595 1.00 64.10 O ATOM 0 H SER A 10 30.676 0.461 -5.572 1.00 54.40 H new ATOM 0 HA SER A 10 31.605 -0.120 -8.322 1.00 35.43 H new ATOM 0 HB2 SER A 10 32.322 2.029 -8.449 1.00 14.41 H new ATOM 0 HB3 SER A 10 31.231 2.328 -7.110 1.00 14.41 H new ATOM 0 HG SER A 10 33.382 3.074 -6.672 1.00 64.10 H new ATOM 154 N MET A 11 33.622 -1.329 -7.586 1.00 71.13 N ATOM 155 CA MET A 11 34.791 -2.097 -7.174 1.00 2.31 C ATOM 156 C MET A 11 36.074 -1.311 -7.427 1.00 61.22 C ATOM 157 O MET A 11 37.166 -1.758 -7.077 1.00 71.44 O ATOM 158 CB MET A 11 34.841 -3.431 -7.920 1.00 72.31 C ATOM 159 CG MET A 11 34.757 -3.286 -9.431 1.00 22.31 C ATOM 160 SD MET A 11 36.380 -3.195 -10.211 1.00 3.12 S ATOM 161 CE MET A 11 35.947 -2.537 -11.819 1.00 54.22 C ATOM 0 H MET A 11 33.317 -1.506 -8.543 1.00 71.13 H new ATOM 0 HA MET A 11 34.709 -2.291 -6.104 1.00 2.31 H new ATOM 0 HB2 MET A 11 35.766 -3.947 -7.664 1.00 72.31 H new ATOM 0 HB3 MET A 11 34.020 -4.061 -7.577 1.00 72.31 H new ATOM 0 HG2 MET A 11 34.207 -4.132 -9.843 1.00 22.31 H new ATOM 0 HG3 MET A 11 34.190 -2.388 -9.675 1.00 22.31 H new ATOM 0 HE1 MET A 11 36.853 -2.241 -12.347 1.00 54.22 H new ATOM 0 HE2 MET A 11 35.424 -3.300 -12.396 1.00 54.22 H new ATOM 0 HE3 MET A 11 35.299 -1.669 -11.695 1.00 54.22 H new ATOM 171 N ALA A 12 35.934 -0.139 -8.037 1.00 42.14 N ATOM 172 CA ALA A 12 37.082 0.709 -8.336 1.00 31.25 C ATOM 173 C ALA A 12 36.654 1.971 -9.076 1.00 41.41 C ATOM 174 O ALA A 12 35.482 2.345 -9.060 1.00 42.21 O ATOM 175 CB ALA A 12 38.109 -0.062 -9.152 1.00 3.44 C ATOM 0 H ALA A 12 35.037 0.245 -8.334 1.00 42.14 H new ATOM 0 HA ALA A 12 37.536 1.010 -7.392 1.00 31.25 H new ATOM 0 HB1 ALA A 12 38.961 0.583 -9.368 1.00 3.44 H new ATOM 0 HB2 ALA A 12 38.446 -0.930 -8.586 1.00 3.44 H new ATOM 0 HB3 ALA A 12 37.657 -0.392 -10.087 1.00 3.44 H new ATOM 181 N GLY A 13 37.613 2.625 -9.725 1.00 2.44 N ATOM 182 CA GLY A 13 37.315 3.840 -10.461 1.00 64.22 C ATOM 183 C GLY A 13 36.772 3.558 -11.848 1.00 43.11 C ATOM 184 O GLY A 13 36.744 4.444 -12.703 1.00 30.43 O ATOM 0 H GLY A 13 38.591 2.335 -9.754 1.00 2.44 H new ATOM 0 HA2 GLY A 13 36.589 4.431 -9.903 1.00 64.22 H new ATOM 0 HA3 GLY A 13 38.220 4.442 -10.544 1.00 64.22 H new ATOM 188 N SER A 14 36.341 2.321 -12.073 1.00 43.02 N ATOM 189 CA SER A 14 35.802 1.923 -13.368 1.00 55.42 C ATOM 190 C SER A 14 34.284 1.777 -13.302 1.00 63.15 C ATOM 191 O SER A 14 33.710 1.619 -12.224 1.00 63.35 O ATOM 192 CB SER A 14 36.433 0.607 -13.825 1.00 41.13 C ATOM 193 OG SER A 14 37.842 0.724 -13.921 1.00 22.54 O ATOM 0 H SER A 14 36.355 1.577 -11.375 1.00 43.02 H new ATOM 0 HA SER A 14 36.044 2.703 -14.090 1.00 55.42 H new ATOM 0 HB2 SER A 14 36.178 -0.186 -13.122 1.00 41.13 H new ATOM 0 HB3 SER A 14 36.022 0.320 -14.793 1.00 41.13 H new ATOM 0 HG SER A 14 38.222 -0.131 -14.213 1.00 22.54 H new ATOM 199 N HIS A 15 33.640 1.831 -14.464 1.00 21.30 N ATOM 200 CA HIS A 15 32.189 1.704 -14.540 1.00 30.51 C ATOM 201 C HIS A 15 31.671 0.746 -13.471 1.00 12.32 C ATOM 202 O HIS A 15 31.861 -0.468 -13.545 1.00 43.21 O ATOM 203 CB HIS A 15 31.771 1.213 -15.926 1.00 72.23 C ATOM 204 CG HIS A 15 31.699 2.303 -16.951 1.00 62.20 C ATOM 205 ND1 HIS A 15 31.232 2.101 -18.232 1.00 55.45 N ATOM 206 CD2 HIS A 15 32.038 3.611 -16.877 1.00 11.20 C ATOM 207 CE1 HIS A 15 31.287 3.238 -18.903 1.00 2.42 C ATOM 208 NE2 HIS A 15 31.773 4.171 -18.103 1.00 35.53 N ATOM 0 H HIS A 15 34.100 1.962 -15.365 1.00 21.30 H new ATOM 0 HA HIS A 15 31.753 2.687 -14.364 1.00 30.51 H new ATOM 0 HB2 HIS A 15 32.478 0.455 -16.263 1.00 72.23 H new ATOM 0 HB3 HIS A 15 30.797 0.730 -15.853 1.00 72.23 H new ATOM 0 HD2 HIS A 15 32.442 4.120 -16.014 1.00 11.20 H new ATOM 0 HE1 HIS A 15 30.986 3.381 -19.930 1.00 2.42 H new ATOM 0 HE2 HIS A 15 31.926 5.147 -18.355 1.00 35.53 H new ATOM 216 N PRO A 16 31.000 1.304 -12.451 1.00 64.44 N ATOM 217 CA PRO A 16 30.441 0.517 -11.348 1.00 5.44 C ATOM 218 C PRO A 16 29.258 -0.338 -11.786 1.00 62.34 C ATOM 219 O PRO A 16 28.973 -0.458 -12.978 1.00 54.14 O ATOM 220 CB PRO A 16 29.989 1.583 -10.347 1.00 15.33 C ATOM 221 CG PRO A 16 29.740 2.798 -11.173 1.00 73.42 C ATOM 222 CD PRO A 16 30.736 2.744 -12.298 1.00 51.13 C ATOM 0 HA PRO A 16 31.166 -0.189 -10.943 1.00 5.44 H new ATOM 0 HB2 PRO A 16 29.088 1.273 -9.818 1.00 15.33 H new ATOM 0 HB3 PRO A 16 30.754 1.767 -9.593 1.00 15.33 H new ATOM 0 HG2 PRO A 16 28.719 2.808 -11.555 1.00 73.42 H new ATOM 0 HG3 PRO A 16 29.868 3.705 -10.582 1.00 73.42 H new ATOM 0 HD2 PRO A 16 30.333 3.178 -13.213 1.00 51.13 H new ATOM 0 HD3 PRO A 16 31.645 3.296 -12.057 1.00 51.13 H new ATOM 230 N THR A 17 28.571 -0.933 -10.816 1.00 1.33 N ATOM 231 CA THR A 17 27.419 -1.778 -11.102 1.00 30.00 C ATOM 232 C THR A 17 26.191 -1.315 -10.326 1.00 41.03 C ATOM 233 O THR A 17 26.252 -1.105 -9.114 1.00 55.03 O ATOM 234 CB THR A 17 27.704 -3.252 -10.757 1.00 41.03 C ATOM 235 OG1 THR A 17 29.050 -3.586 -11.112 1.00 65.42 O ATOM 236 CG2 THR A 17 26.738 -4.175 -11.485 1.00 43.43 C ATOM 0 H THR A 17 28.793 -0.845 -9.824 1.00 1.33 H new ATOM 0 HA THR A 17 27.223 -1.694 -12.171 1.00 30.00 H new ATOM 0 HB THR A 17 27.568 -3.384 -9.684 1.00 41.03 H new ATOM 0 HG1 THR A 17 29.224 -4.524 -10.888 1.00 65.42 H new ATOM 0 HG21 THR A 17 26.959 -5.210 -11.226 1.00 43.43 H new ATOM 0 HG22 THR A 17 25.716 -3.937 -11.191 1.00 43.43 H new ATOM 0 HG23 THR A 17 26.846 -4.039 -12.561 1.00 43.43 H new ATOM 244 N THR A 18 25.075 -1.158 -11.032 1.00 44.41 N ATOM 245 CA THR A 18 23.833 -0.719 -10.410 1.00 12.13 C ATOM 246 C THR A 18 22.846 -1.874 -10.278 1.00 43.40 C ATOM 247 O THR A 18 22.758 -2.730 -11.159 1.00 15.24 O ATOM 248 CB THR A 18 23.172 0.417 -11.214 1.00 21.41 C ATOM 249 OG1 THR A 18 24.177 1.271 -11.772 1.00 71.50 O ATOM 250 CG2 THR A 18 22.239 1.232 -10.332 1.00 10.42 C ATOM 0 H THR A 18 25.007 -1.329 -12.035 1.00 44.41 H new ATOM 0 HA THR A 18 24.090 -0.349 -9.418 1.00 12.13 H new ATOM 0 HB THR A 18 22.588 -0.029 -12.019 1.00 21.41 H new ATOM 0 HG1 THR A 18 24.938 1.325 -11.157 1.00 71.50 H new ATOM 0 HG21 THR A 18 21.784 2.028 -10.921 1.00 10.42 H new ATOM 0 HG22 THR A 18 21.458 0.585 -9.932 1.00 10.42 H new ATOM 0 HG23 THR A 18 22.805 1.668 -9.509 1.00 10.42 H new ATOM 258 N ILE A 19 22.107 -1.891 -9.174 1.00 53.34 N ATOM 259 CA ILE A 19 21.125 -2.940 -8.929 1.00 60.04 C ATOM 260 C ILE A 19 19.862 -2.373 -8.291 1.00 11.14 C ATOM 261 O ILE A 19 19.932 -1.547 -7.380 1.00 12.31 O ATOM 262 CB ILE A 19 21.696 -4.044 -8.019 1.00 51.35 C ATOM 263 CG1 ILE A 19 22.274 -5.182 -8.863 1.00 3.22 C ATOM 264 CG2 ILE A 19 20.618 -4.567 -7.082 1.00 3.14 C ATOM 265 CD1 ILE A 19 22.466 -6.468 -8.091 1.00 23.51 C ATOM 0 H ILE A 19 22.170 -1.191 -8.435 1.00 53.34 H new ATOM 0 HA ILE A 19 20.876 -3.372 -9.898 1.00 60.04 H new ATOM 0 HB ILE A 19 22.499 -3.620 -7.417 1.00 51.35 H new ATOM 0 HG12 ILE A 19 21.611 -5.370 -9.708 1.00 3.22 H new ATOM 0 HG13 ILE A 19 23.233 -4.868 -9.274 1.00 3.22 H new ATOM 0 HG21 ILE A 19 21.036 -5.346 -6.445 1.00 3.14 H new ATOM 0 HG22 ILE A 19 20.248 -3.751 -6.461 1.00 3.14 H new ATOM 0 HG23 ILE A 19 19.796 -4.979 -7.667 1.00 3.14 H new ATOM 0 HD11 ILE A 19 22.879 -7.231 -8.751 1.00 23.51 H new ATOM 0 HD12 ILE A 19 23.152 -6.296 -7.262 1.00 23.51 H new ATOM 0 HD13 ILE A 19 21.505 -6.806 -7.702 1.00 23.51 H new ATOM 277 N CYS A 20 18.709 -2.823 -8.772 1.00 52.15 N ATOM 278 CA CYS A 20 17.428 -2.361 -8.248 1.00 25.12 C ATOM 279 C CYS A 20 16.617 -3.526 -7.691 1.00 21.34 C ATOM 280 O CYS A 20 16.234 -4.437 -8.425 1.00 21.22 O ATOM 281 CB CYS A 20 16.633 -1.647 -9.342 1.00 2.04 C ATOM 282 SG CYS A 20 16.547 -2.554 -10.903 1.00 74.22 S ATOM 0 H CYS A 20 18.634 -3.508 -9.524 1.00 52.15 H new ATOM 0 HA CYS A 20 17.627 -1.660 -7.438 1.00 25.12 H new ATOM 0 HB2 CYS A 20 15.620 -1.468 -8.982 1.00 2.04 H new ATOM 0 HB3 CYS A 20 17.083 -0.671 -9.525 1.00 2.04 H new ATOM 0 HG CYS A 20 16.351 -3.816 -10.661 1.00 74.22 H new ATOM 288 N VAL A 21 16.360 -3.491 -6.387 1.00 33.51 N ATOM 289 CA VAL A 21 15.594 -4.545 -5.730 1.00 44.45 C ATOM 290 C VAL A 21 14.662 -3.968 -4.671 1.00 51.43 C ATOM 291 O VAL A 21 14.956 -2.938 -4.064 1.00 41.00 O ATOM 292 CB VAL A 21 16.521 -5.584 -5.072 1.00 33.22 C ATOM 293 CG1 VAL A 21 17.263 -6.385 -6.131 1.00 1.03 C ATOM 294 CG2 VAL A 21 17.497 -4.903 -4.125 1.00 10.02 C ATOM 0 H VAL A 21 16.671 -2.745 -5.765 1.00 33.51 H new ATOM 0 HA VAL A 21 15.001 -5.035 -6.502 1.00 44.45 H new ATOM 0 HB VAL A 21 15.909 -6.275 -4.491 1.00 33.22 H new ATOM 0 HG11 VAL A 21 17.913 -7.114 -5.647 1.00 1.03 H new ATOM 0 HG12 VAL A 21 16.544 -6.904 -6.765 1.00 1.03 H new ATOM 0 HG13 VAL A 21 17.865 -5.712 -6.741 1.00 1.03 H new ATOM 0 HG21 VAL A 21 18.144 -5.652 -3.669 1.00 10.02 H new ATOM 0 HG22 VAL A 21 18.104 -4.188 -4.680 1.00 10.02 H new ATOM 0 HG23 VAL A 21 16.943 -4.380 -3.346 1.00 10.02 H new ATOM 304 N VAL A 22 13.535 -4.639 -4.454 1.00 1.41 N ATOM 305 CA VAL A 22 12.559 -4.194 -3.466 1.00 50.24 C ATOM 306 C VAL A 22 13.126 -4.284 -2.054 1.00 52.11 C ATOM 307 O VAL A 22 14.026 -5.078 -1.785 1.00 63.54 O ATOM 308 CB VAL A 22 11.265 -5.026 -3.542 1.00 52.54 C ATOM 309 CG1 VAL A 22 11.509 -6.440 -3.039 1.00 73.00 C ATOM 310 CG2 VAL A 22 10.153 -4.353 -2.751 1.00 71.52 C ATOM 0 H VAL A 22 13.275 -5.492 -4.949 1.00 1.41 H new ATOM 0 HA VAL A 22 12.328 -3.154 -3.695 1.00 50.24 H new ATOM 0 HB VAL A 22 10.953 -5.087 -4.584 1.00 52.54 H new ATOM 0 HG11 VAL A 22 10.584 -7.013 -3.100 1.00 73.00 H new ATOM 0 HG12 VAL A 22 12.273 -6.918 -3.653 1.00 73.00 H new ATOM 0 HG13 VAL A 22 11.846 -6.405 -2.003 1.00 73.00 H new ATOM 0 HG21 VAL A 22 9.246 -4.954 -2.815 1.00 71.52 H new ATOM 0 HG22 VAL A 22 10.454 -4.260 -1.707 1.00 71.52 H new ATOM 0 HG23 VAL A 22 9.962 -3.362 -3.163 1.00 71.52 H new ATOM 320 N MET A 23 12.592 -3.464 -1.155 1.00 32.03 N ATOM 321 CA MET A 23 13.044 -3.453 0.232 1.00 53.52 C ATOM 322 C MET A 23 12.990 -4.854 0.833 1.00 52.52 C ATOM 323 O MET A 23 13.867 -5.242 1.604 1.00 31.33 O ATOM 324 CB MET A 23 12.186 -2.495 1.062 1.00 23.42 C ATOM 325 CG MET A 23 12.530 -2.501 2.543 1.00 52.11 C ATOM 326 SD MET A 23 11.110 -2.890 3.584 1.00 70.11 S ATOM 327 CE MET A 23 10.823 -4.601 3.140 1.00 65.52 C ATOM 0 H MET A 23 11.847 -2.799 -1.361 1.00 32.03 H new ATOM 0 HA MET A 23 14.079 -3.110 0.249 1.00 53.52 H new ATOM 0 HB2 MET A 23 12.305 -1.484 0.673 1.00 23.42 H new ATOM 0 HB3 MET A 23 11.136 -2.762 0.940 1.00 23.42 H new ATOM 0 HG2 MET A 23 13.320 -3.230 2.726 1.00 52.11 H new ATOM 0 HG3 MET A 23 12.925 -1.525 2.824 1.00 52.11 H new ATOM 0 HE1 MET A 23 10.081 -5.032 3.812 1.00 65.52 H new ATOM 0 HE2 MET A 23 10.458 -4.654 2.114 1.00 65.52 H new ATOM 0 HE3 MET A 23 11.755 -5.160 3.223 1.00 65.52 H new ATOM 337 N ASP A 24 11.956 -5.606 0.475 1.00 74.52 N ATOM 338 CA ASP A 24 11.788 -6.965 0.978 1.00 1.24 C ATOM 339 C ASP A 24 12.990 -7.831 0.616 1.00 44.13 C ATOM 340 O ASP A 24 13.420 -8.675 1.403 1.00 40.43 O ATOM 341 CB ASP A 24 10.508 -7.586 0.416 1.00 4.23 C ATOM 342 CG ASP A 24 9.341 -6.618 0.429 1.00 23.31 C ATOM 343 OD1 ASP A 24 8.730 -6.441 1.503 1.00 32.22 O ATOM 344 OD2 ASP A 24 9.039 -6.039 -0.635 1.00 52.32 O ATOM 0 H ASP A 24 11.221 -5.298 -0.162 1.00 74.52 H new ATOM 0 HA ASP A 24 11.712 -6.917 2.064 1.00 1.24 H new ATOM 0 HB2 ASP A 24 10.688 -7.920 -0.606 1.00 4.23 H new ATOM 0 HB3 ASP A 24 10.250 -8.470 0.999 1.00 4.23 H new ATOM 349 N ARG A 25 13.528 -7.617 -0.581 1.00 10.03 N ATOM 350 CA ARG A 25 14.679 -8.380 -1.048 1.00 41.45 C ATOM 351 C ARG A 25 15.972 -7.597 -0.838 1.00 11.13 C ATOM 352 O ARG A 25 17.067 -8.156 -0.907 1.00 53.22 O ATOM 353 CB ARG A 25 14.518 -8.730 -2.529 1.00 21.11 C ATOM 354 CG ARG A 25 13.397 -9.720 -2.802 1.00 42.41 C ATOM 355 CD ARG A 25 13.698 -11.082 -2.198 1.00 74.40 C ATOM 356 NE ARG A 25 12.997 -12.157 -2.896 1.00 51.01 N ATOM 357 CZ ARG A 25 13.067 -13.434 -2.538 1.00 33.14 C ATOM 358 NH1 ARG A 25 13.801 -13.794 -1.494 1.00 65.13 N ATOM 359 NH2 ARG A 25 12.400 -14.354 -3.223 1.00 21.31 N ATOM 0 H ARG A 25 13.185 -6.922 -1.244 1.00 10.03 H new ATOM 0 HA ARG A 25 14.733 -9.301 -0.467 1.00 41.45 H new ATOM 0 HB2 ARG A 25 14.329 -7.816 -3.091 1.00 21.11 H new ATOM 0 HB3 ARG A 25 15.456 -9.144 -2.900 1.00 21.11 H new ATOM 0 HG2 ARG A 25 12.463 -9.337 -2.391 1.00 42.41 H new ATOM 0 HG3 ARG A 25 13.254 -9.821 -3.878 1.00 42.41 H new ATOM 0 HD2 ARG A 25 14.772 -11.266 -2.235 1.00 74.40 H new ATOM 0 HD3 ARG A 25 13.410 -11.084 -1.147 1.00 74.40 H new ATOM 0 HE ARG A 25 12.422 -11.913 -3.703 1.00 51.01 H new ATOM 0 HH11 ARG A 25 14.314 -13.089 -0.964 1.00 65.13 H new ATOM 0 HH12 ARG A 25 13.853 -14.775 -1.221 1.00 65.13 H new ATOM 0 HH21 ARG A 25 11.833 -14.081 -4.025 1.00 21.31 H new ATOM 0 HH22 ARG A 25 12.455 -15.334 -2.947 1.00 21.31 H new ATOM 373 N PHE A 26 15.837 -6.300 -0.581 1.00 21.14 N ATOM 374 CA PHE A 26 16.994 -5.440 -0.361 1.00 40.12 C ATOM 375 C PHE A 26 17.774 -5.881 0.874 1.00 35.31 C ATOM 376 O PHE A 26 19.004 -5.934 0.860 1.00 61.12 O ATOM 377 CB PHE A 26 16.551 -3.984 -0.205 1.00 42.43 C ATOM 378 CG PHE A 26 17.690 -3.033 0.029 1.00 51.42 C ATOM 379 CD1 PHE A 26 18.810 -3.058 -0.787 1.00 13.12 C ATOM 380 CD2 PHE A 26 17.640 -2.113 1.064 1.00 63.00 C ATOM 381 CE1 PHE A 26 19.859 -2.184 -0.573 1.00 22.40 C ATOM 382 CE2 PHE A 26 18.687 -1.237 1.282 1.00 13.44 C ATOM 383 CZ PHE A 26 19.797 -1.272 0.462 1.00 1.20 C ATOM 0 H PHE A 26 14.938 -5.822 -0.520 1.00 21.14 H new ATOM 0 HA PHE A 26 17.647 -5.523 -1.230 1.00 40.12 H new ATOM 0 HB2 PHE A 26 16.011 -3.679 -1.102 1.00 42.43 H new ATOM 0 HB3 PHE A 26 15.851 -3.913 0.628 1.00 42.43 H new ATOM 0 HD1 PHE A 26 18.864 -3.768 -1.599 1.00 13.12 H new ATOM 0 HD2 PHE A 26 16.773 -2.080 1.708 1.00 63.00 H new ATOM 0 HE1 PHE A 26 20.727 -2.214 -1.215 1.00 22.40 H new ATOM 0 HE2 PHE A 26 18.637 -0.526 2.093 1.00 13.44 H new ATOM 0 HZ PHE A 26 20.615 -0.587 0.630 1.00 1.20 H new ATOM 393 N LEU A 27 17.049 -6.197 1.942 1.00 51.12 N ATOM 394 CA LEU A 27 17.671 -6.634 3.187 1.00 41.51 C ATOM 395 C LEU A 27 18.529 -7.874 2.961 1.00 64.00 C ATOM 396 O LEU A 27 19.683 -7.928 3.386 1.00 13.33 O ATOM 397 CB LEU A 27 16.601 -6.925 4.240 1.00 13.11 C ATOM 398 CG LEU A 27 15.462 -7.846 3.802 1.00 35.23 C ATOM 399 CD1 LEU A 27 15.679 -9.254 4.335 1.00 13.11 C ATOM 400 CD2 LEU A 27 14.122 -7.297 4.271 1.00 73.41 C ATOM 0 H LEU A 27 16.030 -6.159 1.971 1.00 51.12 H new ATOM 0 HA LEU A 27 18.314 -5.830 3.545 1.00 41.51 H new ATOM 0 HB2 LEU A 27 17.086 -7.369 5.109 1.00 13.11 H new ATOM 0 HB3 LEU A 27 16.171 -5.977 4.564 1.00 13.11 H new ATOM 0 HG LEU A 27 15.454 -7.889 2.713 1.00 35.23 H new ATOM 0 HD11 LEU A 27 14.858 -9.895 4.013 1.00 13.11 H new ATOM 0 HD12 LEU A 27 16.620 -9.648 3.950 1.00 13.11 H new ATOM 0 HD13 LEU A 27 15.715 -9.229 5.424 1.00 13.11 H new ATOM 0 HD21 LEU A 27 13.323 -7.965 3.950 1.00 73.41 H new ATOM 0 HD22 LEU A 27 14.119 -7.224 5.359 1.00 73.41 H new ATOM 0 HD23 LEU A 27 13.963 -6.308 3.840 1.00 73.41 H new ATOM 412 N GLU A 28 17.959 -8.868 2.287 1.00 54.30 N ATOM 413 CA GLU A 28 18.673 -10.107 2.004 1.00 50.14 C ATOM 414 C GLU A 28 19.795 -9.870 0.997 1.00 4.13 C ATOM 415 O GLU A 28 20.921 -10.331 1.187 1.00 51.13 O ATOM 416 CB GLU A 28 17.708 -11.167 1.468 1.00 41.32 C ATOM 417 CG GLU A 28 18.122 -12.590 1.800 1.00 21.40 C ATOM 418 CD GLU A 28 18.211 -12.839 3.293 1.00 12.33 C ATOM 419 OE1 GLU A 28 17.152 -12.856 3.955 1.00 12.32 O ATOM 420 OE2 GLU A 28 19.338 -13.016 3.800 1.00 43.50 O ATOM 0 H GLU A 28 17.005 -8.839 1.927 1.00 54.30 H new ATOM 0 HA GLU A 28 19.113 -10.464 2.935 1.00 50.14 H new ATOM 0 HB2 GLU A 28 16.715 -10.982 1.877 1.00 41.32 H new ATOM 0 HB3 GLU A 28 17.632 -11.063 0.386 1.00 41.32 H new ATOM 0 HG2 GLU A 28 17.405 -13.284 1.362 1.00 21.40 H new ATOM 0 HG3 GLU A 28 19.089 -12.799 1.342 1.00 21.40 H new ATOM 427 N SER A 29 19.480 -9.148 -0.073 1.00 73.34 N ATOM 428 CA SER A 29 20.459 -8.853 -1.112 1.00 64.24 C ATOM 429 C SER A 29 21.688 -8.169 -0.522 1.00 3.33 C ATOM 430 O SER A 29 22.820 -8.456 -0.911 1.00 25.12 O ATOM 431 CB SER A 29 19.837 -7.966 -2.192 1.00 63.15 C ATOM 432 OG SER A 29 20.833 -7.245 -2.896 1.00 45.41 O ATOM 0 H SER A 29 18.554 -8.756 -0.243 1.00 73.34 H new ATOM 0 HA SER A 29 20.770 -9.796 -1.561 1.00 64.24 H new ATOM 0 HB2 SER A 29 19.268 -8.581 -2.889 1.00 63.15 H new ATOM 0 HB3 SER A 29 19.134 -7.269 -1.735 1.00 63.15 H new ATOM 0 HG SER A 29 20.410 -6.687 -3.581 1.00 45.41 H new ATOM 438 N PHE A 30 21.456 -7.261 0.421 1.00 64.12 N ATOM 439 CA PHE A 30 22.543 -6.534 1.066 1.00 44.33 C ATOM 440 C PHE A 30 23.389 -7.469 1.926 1.00 54.23 C ATOM 441 O PHE A 30 24.618 -7.428 1.882 1.00 61.22 O ATOM 442 CB PHE A 30 21.986 -5.397 1.925 1.00 34.10 C ATOM 443 CG PHE A 30 22.533 -5.379 3.324 1.00 73.13 C ATOM 444 CD1 PHE A 30 23.841 -4.990 3.565 1.00 34.41 C ATOM 445 CD2 PHE A 30 21.739 -5.750 4.397 1.00 21.11 C ATOM 446 CE1 PHE A 30 24.347 -4.974 4.851 1.00 13.30 C ATOM 447 CE2 PHE A 30 22.240 -5.735 5.685 1.00 14.04 C ATOM 448 CZ PHE A 30 23.545 -5.345 5.913 1.00 71.24 C ATOM 0 H PHE A 30 20.525 -7.011 0.755 1.00 64.12 H new ATOM 0 HA PHE A 30 23.178 -6.113 0.286 1.00 44.33 H new ATOM 0 HB2 PHE A 30 22.210 -4.445 1.443 1.00 34.10 H new ATOM 0 HB3 PHE A 30 20.900 -5.484 1.969 1.00 34.10 H new ATOM 0 HD1 PHE A 30 24.472 -4.696 2.739 1.00 34.41 H new ATOM 0 HD2 PHE A 30 20.717 -6.054 4.225 1.00 21.11 H new ATOM 0 HE1 PHE A 30 25.369 -4.672 5.026 1.00 13.30 H new ATOM 0 HE2 PHE A 30 21.611 -6.028 6.513 1.00 14.04 H new ATOM 0 HZ PHE A 30 23.938 -5.330 6.919 1.00 71.24 H new ATOM 458 N SER A 31 22.720 -8.310 2.708 1.00 73.24 N ATOM 459 CA SER A 31 23.408 -9.253 3.582 1.00 41.15 C ATOM 460 C SER A 31 24.376 -10.123 2.786 1.00 23.53 C ATOM 461 O SER A 31 25.528 -10.306 3.178 1.00 3.32 O ATOM 462 CB SER A 31 22.395 -10.135 4.314 1.00 3.11 C ATOM 463 OG SER A 31 23.031 -10.932 5.298 1.00 30.40 O ATOM 0 H SER A 31 21.702 -8.358 2.754 1.00 73.24 H new ATOM 0 HA SER A 31 23.978 -8.682 4.315 1.00 41.15 H new ATOM 0 HB2 SER A 31 21.635 -9.510 4.783 1.00 3.11 H new ATOM 0 HB3 SER A 31 21.882 -10.777 3.598 1.00 3.11 H new ATOM 0 HG SER A 31 22.362 -11.486 5.753 1.00 30.40 H new ATOM 469 N GLU A 32 23.899 -10.658 1.667 1.00 75.41 N ATOM 470 CA GLU A 32 24.721 -11.511 0.817 1.00 43.34 C ATOM 471 C GLU A 32 25.737 -10.682 0.036 1.00 43.10 C ATOM 472 O GLU A 32 26.895 -11.076 -0.112 1.00 10.15 O ATOM 473 CB GLU A 32 23.842 -12.304 -0.152 1.00 54.10 C ATOM 474 CG GLU A 32 24.529 -13.527 -0.736 1.00 51.54 C ATOM 475 CD GLU A 32 24.624 -14.671 0.254 1.00 61.24 C ATOM 476 OE1 GLU A 32 24.375 -14.440 1.455 1.00 4.50 O ATOM 477 OE2 GLU A 32 24.947 -15.799 -0.174 1.00 64.22 O ATOM 0 H GLU A 32 22.948 -10.516 1.328 1.00 75.41 H new ATOM 0 HA GLU A 32 25.261 -12.207 1.459 1.00 43.34 H new ATOM 0 HB2 GLU A 32 22.937 -12.619 0.367 1.00 54.10 H new ATOM 0 HB3 GLU A 32 23.531 -11.649 -0.966 1.00 54.10 H new ATOM 0 HG2 GLU A 32 23.982 -13.860 -1.618 1.00 51.54 H new ATOM 0 HG3 GLU A 32 25.531 -13.253 -1.066 1.00 51.54 H new ATOM 484 N LEU A 33 25.296 -9.532 -0.463 1.00 30.44 N ATOM 485 CA LEU A 33 26.166 -8.647 -1.229 1.00 54.12 C ATOM 486 C LEU A 33 27.414 -8.285 -0.431 1.00 64.43 C ATOM 487 O LEU A 33 28.512 -8.199 -0.982 1.00 61.03 O ATOM 488 CB LEU A 33 25.412 -7.375 -1.623 1.00 22.13 C ATOM 489 CG LEU A 33 26.204 -6.351 -2.437 1.00 14.35 C ATOM 490 CD1 LEU A 33 27.071 -5.498 -1.523 1.00 73.31 C ATOM 491 CD2 LEU A 33 27.056 -7.048 -3.487 1.00 3.33 C ATOM 0 H LEU A 33 24.341 -9.191 -0.351 1.00 30.44 H new ATOM 0 HA LEU A 33 26.475 -9.174 -2.132 1.00 54.12 H new ATOM 0 HB2 LEU A 33 24.530 -7.662 -2.196 1.00 22.13 H new ATOM 0 HB3 LEU A 33 25.057 -6.890 -0.713 1.00 22.13 H new ATOM 0 HG LEU A 33 25.498 -5.697 -2.948 1.00 14.35 H new ATOM 0 HD11 LEU A 33 27.627 -4.775 -2.120 1.00 73.31 H new ATOM 0 HD12 LEU A 33 26.438 -4.970 -0.810 1.00 73.31 H new ATOM 0 HD13 LEU A 33 27.770 -6.137 -0.983 1.00 73.31 H new ATOM 0 HD21 LEU A 33 27.613 -6.304 -4.057 1.00 3.33 H new ATOM 0 HD22 LEU A 33 27.754 -7.727 -2.997 1.00 3.33 H new ATOM 0 HD23 LEU A 33 26.413 -7.614 -4.161 1.00 3.33 H new ATOM 503 N TYR A 34 27.239 -8.077 0.869 1.00 65.41 N ATOM 504 CA TYR A 34 28.352 -7.725 1.743 1.00 21.30 C ATOM 505 C TYR A 34 29.335 -8.886 1.868 1.00 13.44 C ATOM 506 O TYR A 34 30.540 -8.680 2.011 1.00 22.21 O ATOM 507 CB TYR A 34 27.835 -7.328 3.127 1.00 60.42 C ATOM 508 CG TYR A 34 28.921 -7.234 4.175 1.00 51.43 C ATOM 509 CD1 TYR A 34 29.687 -6.082 4.308 1.00 61.35 C ATOM 510 CD2 TYR A 34 29.180 -8.295 5.033 1.00 70.43 C ATOM 511 CE1 TYR A 34 30.681 -5.992 5.263 1.00 53.21 C ATOM 512 CE2 TYR A 34 30.171 -8.213 5.992 1.00 34.22 C ATOM 513 CZ TYR A 34 30.918 -7.060 6.103 1.00 45.40 C ATOM 514 OH TYR A 34 31.906 -6.973 7.057 1.00 43.20 O ATOM 0 H TYR A 34 26.337 -8.146 1.341 1.00 65.41 H new ATOM 0 HA TYR A 34 28.874 -6.877 1.301 1.00 21.30 H new ATOM 0 HB2 TYR A 34 27.328 -6.366 3.054 1.00 60.42 H new ATOM 0 HB3 TYR A 34 27.091 -8.056 3.451 1.00 60.42 H new ATOM 0 HD1 TYR A 34 29.502 -5.243 3.654 1.00 61.35 H new ATOM 0 HD2 TYR A 34 28.596 -9.200 4.949 1.00 70.43 H new ATOM 0 HE1 TYR A 34 31.269 -5.091 5.351 1.00 53.21 H new ATOM 0 HE2 TYR A 34 30.359 -9.048 6.651 1.00 34.22 H new ATOM 0 HH TYR A 34 31.943 -7.809 7.566 1.00 43.20 H new ATOM 524 N ASP A 35 28.810 -10.105 1.814 1.00 42.25 N ATOM 525 CA ASP A 35 29.640 -11.300 1.919 1.00 53.50 C ATOM 526 C ASP A 35 30.445 -11.516 0.642 1.00 70.54 C ATOM 527 O ASP A 35 31.531 -12.096 0.672 1.00 3.50 O ATOM 528 CB ASP A 35 28.771 -12.526 2.204 1.00 42.14 C ATOM 529 CG ASP A 35 29.118 -13.187 3.523 1.00 31.20 C ATOM 530 OD1 ASP A 35 29.091 -12.492 4.561 1.00 63.25 O ATOM 531 OD2 ASP A 35 29.415 -14.400 3.518 1.00 10.13 O ATOM 0 H ASP A 35 27.814 -10.292 1.698 1.00 42.25 H new ATOM 0 HA ASP A 35 30.336 -11.158 2.745 1.00 53.50 H new ATOM 0 HB2 ASP A 35 27.722 -12.230 2.214 1.00 42.14 H new ATOM 0 HB3 ASP A 35 28.891 -13.248 1.396 1.00 42.14 H new ATOM 536 N ILE A 36 29.905 -11.049 -0.479 1.00 33.22 N ATOM 537 CA ILE A 36 30.573 -11.192 -1.766 1.00 61.31 C ATOM 538 C ILE A 36 31.364 -9.937 -2.118 1.00 12.33 C ATOM 539 O ILE A 36 32.262 -9.972 -2.959 1.00 52.14 O ATOM 540 CB ILE A 36 29.566 -11.484 -2.894 1.00 52.32 C ATOM 541 CG1 ILE A 36 30.281 -11.534 -4.246 1.00 1.12 C ATOM 542 CG2 ILE A 36 28.468 -10.431 -2.909 1.00 13.24 C ATOM 543 CD1 ILE A 36 30.156 -10.255 -5.043 1.00 40.35 C ATOM 0 H ILE A 36 29.006 -10.568 -0.521 1.00 33.22 H new ATOM 0 HA ILE A 36 31.257 -12.035 -1.674 1.00 61.31 H new ATOM 0 HB ILE A 36 29.109 -12.456 -2.710 1.00 52.32 H new ATOM 0 HG12 ILE A 36 31.337 -11.748 -4.082 1.00 1.12 H new ATOM 0 HG13 ILE A 36 29.876 -12.359 -4.832 1.00 1.12 H new ATOM 0 HG21 ILE A 36 27.764 -10.651 -3.712 1.00 13.24 H new ATOM 0 HG22 ILE A 36 27.943 -10.439 -1.954 1.00 13.24 H new ATOM 0 HG23 ILE A 36 28.909 -9.448 -3.073 1.00 13.24 H new ATOM 0 HD11 ILE A 36 30.687 -10.362 -5.989 1.00 40.35 H new ATOM 0 HD12 ILE A 36 29.104 -10.050 -5.239 1.00 40.35 H new ATOM 0 HD13 ILE A 36 30.588 -9.430 -4.477 1.00 40.35 H new ATOM 555 N ILE A 37 31.025 -8.829 -1.466 1.00 70.23 N ATOM 556 CA ILE A 37 31.705 -7.563 -1.708 1.00 64.00 C ATOM 557 C ILE A 37 33.197 -7.675 -1.412 1.00 61.21 C ATOM 558 O ILE A 37 33.993 -6.848 -1.858 1.00 33.13 O ATOM 559 CB ILE A 37 31.108 -6.430 -0.853 1.00 35.44 C ATOM 560 CG1 ILE A 37 31.473 -5.068 -1.444 1.00 52.45 C ATOM 561 CG2 ILE A 37 31.596 -6.538 0.584 1.00 14.14 C ATOM 562 CD1 ILE A 37 30.731 -4.746 -2.723 1.00 44.21 C ATOM 0 H ILE A 37 30.284 -8.783 -0.767 1.00 70.23 H new ATOM 0 HA ILE A 37 31.562 -7.325 -2.762 1.00 64.00 H new ATOM 0 HB ILE A 37 30.022 -6.526 -0.856 1.00 35.44 H new ATOM 0 HG12 ILE A 37 31.263 -4.293 -0.707 1.00 52.45 H new ATOM 0 HG13 ILE A 37 32.545 -5.041 -1.639 1.00 52.45 H new ATOM 0 HG21 ILE A 37 31.166 -5.730 1.176 1.00 14.14 H new ATOM 0 HG22 ILE A 37 31.289 -7.497 1.001 1.00 14.14 H new ATOM 0 HG23 ILE A 37 32.683 -6.464 0.606 1.00 14.14 H new ATOM 0 HD11 ILE A 37 31.039 -3.765 -3.086 1.00 44.21 H new ATOM 0 HD12 ILE A 37 30.960 -5.500 -3.476 1.00 44.21 H new ATOM 0 HD13 ILE A 37 29.658 -4.740 -2.530 1.00 44.21 H new ATOM 574 N ASP A 38 33.569 -8.704 -0.659 1.00 63.42 N ATOM 575 CA ASP A 38 34.966 -8.927 -0.306 1.00 24.42 C ATOM 576 C ASP A 38 35.807 -9.187 -1.552 1.00 24.02 C ATOM 577 O ASP A 38 37.006 -8.909 -1.572 1.00 31.14 O ATOM 578 CB ASP A 38 35.088 -10.106 0.661 1.00 2.04 C ATOM 579 CG ASP A 38 35.068 -11.444 -0.051 1.00 33.10 C ATOM 580 OD1 ASP A 38 34.048 -11.755 -0.701 1.00 74.02 O ATOM 581 OD2 ASP A 38 36.072 -12.180 0.041 1.00 62.00 O ATOM 0 H ASP A 38 32.923 -9.397 -0.281 1.00 63.42 H new ATOM 0 HA ASP A 38 35.340 -8.027 0.181 1.00 24.42 H new ATOM 0 HB2 ASP A 38 36.015 -10.013 1.227 1.00 2.04 H new ATOM 0 HB3 ASP A 38 34.270 -10.068 1.380 1.00 2.04 H new ATOM 586 N GLU A 39 35.170 -9.722 -2.589 1.00 25.34 N ATOM 587 CA GLU A 39 35.861 -10.021 -3.837 1.00 45.15 C ATOM 588 C GLU A 39 35.963 -8.776 -4.714 1.00 72.13 C ATOM 589 O GLU A 39 35.424 -7.722 -4.379 1.00 30.41 O ATOM 590 CB GLU A 39 35.134 -11.134 -4.595 1.00 4.10 C ATOM 591 CG GLU A 39 35.119 -12.463 -3.858 1.00 3.52 C ATOM 592 CD GLU A 39 36.513 -12.972 -3.546 1.00 32.42 C ATOM 593 OE1 GLU A 39 37.353 -13.004 -4.470 1.00 32.34 O ATOM 594 OE2 GLU A 39 36.763 -13.340 -2.379 1.00 45.30 O ATOM 0 H GLU A 39 34.177 -9.957 -2.589 1.00 25.34 H new ATOM 0 HA GLU A 39 36.869 -10.356 -3.593 1.00 45.15 H new ATOM 0 HB2 GLU A 39 34.107 -10.822 -4.785 1.00 4.10 H new ATOM 0 HB3 GLU A 39 35.610 -11.272 -5.566 1.00 4.10 H new ATOM 0 HG2 GLU A 39 34.560 -12.353 -2.929 1.00 3.52 H new ATOM 0 HG3 GLU A 39 34.592 -13.203 -4.461 1.00 3.52 H new ATOM 601 N ASN A 40 36.658 -8.907 -5.839 1.00 63.04 N ATOM 602 CA ASN A 40 36.832 -7.793 -6.765 1.00 30.14 C ATOM 603 C ASN A 40 36.804 -8.278 -8.211 1.00 3.11 C ATOM 604 O ASN A 40 37.184 -7.549 -9.128 1.00 33.31 O ATOM 605 CB ASN A 40 38.150 -7.069 -6.483 1.00 22.55 C ATOM 606 CG ASN A 40 38.203 -5.695 -7.121 1.00 65.13 C ATOM 607 OD1 ASN A 40 38.607 -5.550 -8.275 1.00 74.05 O ATOM 608 ND2 ASN A 40 37.796 -4.678 -6.371 1.00 50.01 N ATOM 0 H ASN A 40 37.110 -9.773 -6.132 1.00 63.04 H new ATOM 0 HA ASN A 40 36.005 -7.098 -6.618 1.00 30.14 H new ATOM 0 HB2 ASN A 40 38.285 -6.972 -5.406 1.00 22.55 H new ATOM 0 HB3 ASN A 40 38.979 -7.671 -6.855 1.00 22.55 H new ATOM 0 HD21 ASN A 40 37.810 -3.730 -6.746 1.00 50.01 H new ATOM 0 HD22 ASN A 40 37.469 -4.845 -5.419 1.00 50.01 H new ATOM 615 N ASP A 41 36.352 -9.512 -8.407 1.00 5.41 N ATOM 616 CA ASP A 41 36.273 -10.094 -9.742 1.00 3.15 C ATOM 617 C ASP A 41 34.993 -9.660 -10.448 1.00 71.45 C ATOM 618 O ASP A 41 33.919 -9.627 -9.847 1.00 32.41 O ATOM 619 CB ASP A 41 36.334 -11.620 -9.660 1.00 11.02 C ATOM 620 CG ASP A 41 37.726 -12.159 -9.924 1.00 70.10 C ATOM 621 OD1 ASP A 41 38.703 -11.515 -9.490 1.00 5.10 O ATOM 622 OD2 ASP A 41 37.838 -13.225 -10.566 1.00 10.13 O ATOM 0 H ASP A 41 36.035 -10.128 -7.659 1.00 5.41 H new ATOM 0 HA ASP A 41 37.125 -9.735 -10.320 1.00 3.15 H new ATOM 0 HB2 ASP A 41 36.005 -11.941 -8.672 1.00 11.02 H new ATOM 0 HB3 ASP A 41 35.639 -12.048 -10.382 1.00 11.02 H new ATOM 627 N THR A 42 35.114 -9.327 -11.730 1.00 30.02 N ATOM 628 CA THR A 42 33.968 -8.893 -12.518 1.00 73.33 C ATOM 629 C THR A 42 33.032 -10.059 -12.815 1.00 74.21 C ATOM 630 O THR A 42 31.819 -9.881 -12.928 1.00 13.33 O ATOM 631 CB THR A 42 34.410 -8.254 -13.848 1.00 1.41 C ATOM 632 OG1 THR A 42 34.935 -9.257 -14.724 1.00 30.52 O ATOM 633 CG2 THR A 42 35.462 -7.181 -13.609 1.00 24.41 C ATOM 0 H THR A 42 35.995 -9.350 -12.244 1.00 30.02 H new ATOM 0 HA THR A 42 33.440 -8.148 -11.923 1.00 73.33 H new ATOM 0 HB THR A 42 33.538 -7.790 -14.310 1.00 1.41 H new ATOM 0 HG1 THR A 42 35.212 -8.842 -15.568 1.00 30.52 H new ATOM 0 HG21 THR A 42 35.759 -6.744 -14.562 1.00 24.41 H new ATOM 0 HG22 THR A 42 35.049 -6.404 -12.966 1.00 24.41 H new ATOM 0 HG23 THR A 42 36.333 -7.626 -13.127 1.00 24.41 H new ATOM 641 N ASP A 43 33.602 -11.252 -12.940 1.00 71.41 N ATOM 642 CA ASP A 43 32.817 -12.449 -13.222 1.00 44.02 C ATOM 643 C ASP A 43 31.908 -12.792 -12.046 1.00 63.53 C ATOM 644 O ASP A 43 30.720 -13.061 -12.224 1.00 61.24 O ATOM 645 CB ASP A 43 33.740 -13.629 -13.531 1.00 4.21 C ATOM 646 CG ASP A 43 34.813 -13.276 -14.542 1.00 40.44 C ATOM 647 OD1 ASP A 43 34.458 -12.815 -15.647 1.00 55.11 O ATOM 648 OD2 ASP A 43 36.008 -13.461 -14.230 1.00 1.44 O ATOM 0 H ASP A 43 34.605 -11.417 -12.851 1.00 71.41 H new ATOM 0 HA ASP A 43 32.193 -12.248 -14.093 1.00 44.02 H new ATOM 0 HB2 ASP A 43 34.212 -13.969 -12.609 1.00 4.21 H new ATOM 0 HB3 ASP A 43 33.147 -14.461 -13.911 1.00 4.21 H new ATOM 653 N VAL A 44 32.475 -12.783 -10.844 1.00 41.20 N ATOM 654 CA VAL A 44 31.716 -13.093 -9.638 1.00 61.24 C ATOM 655 C VAL A 44 30.732 -11.978 -9.306 1.00 54.44 C ATOM 656 O VAL A 44 29.612 -12.235 -8.865 1.00 23.14 O ATOM 657 CB VAL A 44 32.647 -13.318 -8.432 1.00 14.23 C ATOM 658 CG1 VAL A 44 33.488 -12.078 -8.168 1.00 34.24 C ATOM 659 CG2 VAL A 44 31.839 -13.696 -7.200 1.00 35.33 C ATOM 0 H VAL A 44 33.458 -12.564 -10.679 1.00 41.20 H new ATOM 0 HA VAL A 44 31.165 -14.012 -9.838 1.00 61.24 H new ATOM 0 HB VAL A 44 33.321 -14.142 -8.664 1.00 14.23 H new ATOM 0 HG11 VAL A 44 34.140 -12.256 -7.312 1.00 34.24 H new ATOM 0 HG12 VAL A 44 34.094 -11.856 -9.046 1.00 34.24 H new ATOM 0 HG13 VAL A 44 32.833 -11.233 -7.956 1.00 34.24 H new ATOM 0 HG21 VAL A 44 32.512 -13.851 -6.357 1.00 35.33 H new ATOM 0 HG22 VAL A 44 31.140 -12.894 -6.963 1.00 35.33 H new ATOM 0 HG23 VAL A 44 31.285 -14.614 -7.396 1.00 35.33 H new ATOM 669 N MET A 45 31.157 -10.737 -9.523 1.00 35.11 N ATOM 670 CA MET A 45 30.311 -9.581 -9.248 1.00 71.20 C ATOM 671 C MET A 45 29.159 -9.501 -10.245 1.00 2.30 C ATOM 672 O MET A 45 28.009 -9.288 -9.863 1.00 1.44 O ATOM 673 CB MET A 45 31.137 -8.294 -9.300 1.00 72.31 C ATOM 674 CG MET A 45 31.704 -7.881 -7.952 1.00 33.13 C ATOM 675 SD MET A 45 30.429 -7.333 -6.801 1.00 13.33 S ATOM 676 CE MET A 45 30.138 -5.665 -7.387 1.00 72.40 C ATOM 0 H MET A 45 32.081 -10.506 -9.888 1.00 35.11 H new ATOM 0 HA MET A 45 29.894 -9.696 -8.247 1.00 71.20 H new ATOM 0 HB2 MET A 45 31.958 -8.427 -10.005 1.00 72.31 H new ATOM 0 HB3 MET A 45 30.514 -7.487 -9.685 1.00 72.31 H new ATOM 0 HG2 MET A 45 32.244 -8.722 -7.516 1.00 33.13 H new ATOM 0 HG3 MET A 45 32.427 -7.078 -8.097 1.00 33.13 H new ATOM 0 HE1 MET A 45 30.285 -4.961 -6.568 1.00 72.40 H new ATOM 0 HE2 MET A 45 30.836 -5.435 -8.193 1.00 72.40 H new ATOM 0 HE3 MET A 45 29.116 -5.583 -7.757 1.00 72.40 H new ATOM 686 N MET A 46 29.477 -9.672 -11.524 1.00 74.41 N ATOM 687 CA MET A 46 28.467 -9.620 -12.575 1.00 41.12 C ATOM 688 C MET A 46 27.507 -10.800 -12.466 1.00 52.01 C ATOM 689 O MET A 46 26.314 -10.669 -12.741 1.00 12.03 O ATOM 690 CB MET A 46 29.134 -9.615 -13.952 1.00 73.33 C ATOM 691 CG MET A 46 29.627 -10.984 -14.393 1.00 40.21 C ATOM 692 SD MET A 46 28.408 -11.879 -15.375 1.00 14.34 S ATOM 693 CE MET A 46 28.400 -10.903 -16.877 1.00 31.14 C ATOM 0 H MET A 46 30.425 -9.848 -11.858 1.00 74.41 H new ATOM 0 HA MET A 46 27.897 -8.699 -12.452 1.00 41.12 H new ATOM 0 HB2 MET A 46 28.425 -9.239 -14.689 1.00 73.33 H new ATOM 0 HB3 MET A 46 29.975 -8.922 -13.937 1.00 73.33 H new ATOM 0 HG2 MET A 46 30.541 -10.866 -14.975 1.00 40.21 H new ATOM 0 HG3 MET A 46 29.883 -11.574 -13.513 1.00 40.21 H new ATOM 0 HE1 MET A 46 28.073 -11.523 -17.712 1.00 31.14 H new ATOM 0 HE2 MET A 46 27.717 -10.062 -16.761 1.00 31.14 H new ATOM 0 HE3 MET A 46 29.405 -10.530 -17.074 1.00 31.14 H new ATOM 703 N ASP A 47 28.034 -11.951 -12.064 1.00 65.05 N ATOM 704 CA ASP A 47 27.224 -13.154 -11.919 1.00 34.35 C ATOM 705 C ASP A 47 26.280 -13.033 -10.726 1.00 3.52 C ATOM 706 O ASP A 47 25.110 -13.407 -10.806 1.00 23.55 O ATOM 707 CB ASP A 47 28.120 -14.382 -11.752 1.00 61.23 C ATOM 708 CG ASP A 47 27.329 -15.642 -11.459 1.00 54.51 C ATOM 709 OD1 ASP A 47 26.260 -15.829 -12.078 1.00 12.42 O ATOM 710 OD2 ASP A 47 27.778 -16.441 -10.611 1.00 43.55 O ATOM 0 H ASP A 47 29.019 -12.076 -11.833 1.00 65.05 H new ATOM 0 HA ASP A 47 26.626 -13.270 -12.823 1.00 34.35 H new ATOM 0 HB2 ASP A 47 28.705 -14.527 -12.660 1.00 61.23 H new ATOM 0 HB3 ASP A 47 28.827 -14.204 -10.942 1.00 61.23 H new ATOM 715 N PHE A 48 26.797 -12.507 -9.620 1.00 44.12 N ATOM 716 CA PHE A 48 26.002 -12.338 -8.410 1.00 1.33 C ATOM 717 C PHE A 48 24.995 -11.203 -8.575 1.00 20.21 C ATOM 718 O PHE A 48 23.830 -11.334 -8.198 1.00 51.24 O ATOM 719 CB PHE A 48 26.911 -12.057 -7.212 1.00 24.14 C ATOM 720 CG PHE A 48 26.165 -11.634 -5.979 1.00 2.22 C ATOM 721 CD1 PHE A 48 25.880 -10.297 -5.751 1.00 34.34 C ATOM 722 CD2 PHE A 48 25.749 -12.572 -5.048 1.00 73.35 C ATOM 723 CE1 PHE A 48 25.194 -9.905 -4.617 1.00 32.14 C ATOM 724 CE2 PHE A 48 25.062 -12.186 -3.913 1.00 21.03 C ATOM 725 CZ PHE A 48 24.783 -10.851 -3.697 1.00 44.32 C ATOM 0 H PHE A 48 27.763 -12.191 -9.537 1.00 44.12 H new ATOM 0 HA PHE A 48 25.455 -13.264 -8.233 1.00 1.33 H new ATOM 0 HB2 PHE A 48 27.490 -12.953 -6.987 1.00 24.14 H new ATOM 0 HB3 PHE A 48 27.623 -11.277 -7.482 1.00 24.14 H new ATOM 0 HD1 PHE A 48 26.197 -9.553 -6.467 1.00 34.34 H new ATOM 0 HD2 PHE A 48 25.964 -13.618 -5.211 1.00 73.35 H new ATOM 0 HE1 PHE A 48 24.979 -8.860 -4.450 1.00 32.14 H new ATOM 0 HE2 PHE A 48 24.744 -12.928 -3.195 1.00 21.03 H new ATOM 0 HZ PHE A 48 24.245 -10.547 -2.811 1.00 44.32 H new ATOM 735 N ILE A 49 25.453 -10.091 -9.139 1.00 62.03 N ATOM 736 CA ILE A 49 24.593 -8.934 -9.355 1.00 22.12 C ATOM 737 C ILE A 49 23.434 -9.276 -10.285 1.00 63.20 C ATOM 738 O ILE A 49 22.276 -8.990 -9.982 1.00 21.23 O ATOM 739 CB ILE A 49 25.380 -7.750 -9.947 1.00 61.23 C ATOM 740 CG1 ILE A 49 25.865 -6.822 -8.832 1.00 21.45 C ATOM 741 CG2 ILE A 49 24.519 -6.986 -10.942 1.00 34.42 C ATOM 742 CD1 ILE A 49 26.948 -7.431 -7.968 1.00 14.43 C ATOM 0 H ILE A 49 26.415 -9.967 -9.455 1.00 62.03 H new ATOM 0 HA ILE A 49 24.200 -8.647 -8.380 1.00 22.12 H new ATOM 0 HB ILE A 49 26.251 -8.140 -10.474 1.00 61.23 H new ATOM 0 HG12 ILE A 49 26.241 -5.900 -9.275 1.00 21.45 H new ATOM 0 HG13 ILE A 49 25.018 -6.551 -8.202 1.00 21.45 H new ATOM 0 HG21 ILE A 49 25.089 -6.152 -11.352 1.00 34.42 H new ATOM 0 HG22 ILE A 49 24.219 -7.653 -11.751 1.00 34.42 H new ATOM 0 HG23 ILE A 49 23.631 -6.605 -10.438 1.00 34.42 H new ATOM 0 HD11 ILE A 49 27.244 -6.718 -7.199 1.00 14.43 H new ATOM 0 HD12 ILE A 49 26.570 -8.338 -7.496 1.00 14.43 H new ATOM 0 HD13 ILE A 49 27.811 -7.677 -8.586 1.00 14.43 H new ATOM 754 N SER A 50 23.755 -9.892 -11.419 1.00 14.23 N ATOM 755 CA SER A 50 22.740 -10.272 -12.395 1.00 43.11 C ATOM 756 C SER A 50 21.787 -11.310 -11.812 1.00 14.04 C ATOM 757 O SER A 50 20.586 -11.287 -12.082 1.00 13.33 O ATOM 758 CB SER A 50 23.401 -10.824 -13.660 1.00 1.42 C ATOM 759 OG SER A 50 22.502 -10.804 -14.755 1.00 31.21 O ATOM 0 H SER A 50 24.709 -10.138 -11.684 1.00 14.23 H new ATOM 0 HA SER A 50 22.166 -9.381 -12.651 1.00 43.11 H new ATOM 0 HB2 SER A 50 24.285 -10.233 -13.900 1.00 1.42 H new ATOM 0 HB3 SER A 50 23.739 -11.845 -13.482 1.00 1.42 H new ATOM 0 HG SER A 50 22.949 -11.160 -15.551 1.00 31.21 H new ATOM 765 N ARG A 51 22.331 -12.220 -11.010 1.00 53.22 N ATOM 766 CA ARG A 51 21.530 -13.268 -10.389 1.00 13.41 C ATOM 767 C ARG A 51 20.666 -12.699 -9.267 1.00 53.43 C ATOM 768 O ARG A 51 19.583 -13.211 -8.982 1.00 62.23 O ATOM 769 CB ARG A 51 22.434 -14.373 -9.840 1.00 1.41 C ATOM 770 CG ARG A 51 21.674 -15.597 -9.355 1.00 5.51 C ATOM 771 CD ARG A 51 22.616 -16.652 -8.797 1.00 45.01 C ATOM 772 NE ARG A 51 23.495 -17.200 -9.827 1.00 22.43 N ATOM 773 CZ ARG A 51 23.106 -18.104 -10.720 1.00 5.33 C ATOM 774 NH1 ARG A 51 21.861 -18.557 -10.710 1.00 34.34 N ATOM 775 NH2 ARG A 51 23.965 -18.555 -11.626 1.00 14.23 N ATOM 0 H ARG A 51 23.323 -12.252 -10.775 1.00 53.22 H new ATOM 0 HA ARG A 51 20.875 -13.689 -11.151 1.00 13.41 H new ATOM 0 HB2 ARG A 51 23.136 -14.676 -10.617 1.00 1.41 H new ATOM 0 HB3 ARG A 51 23.024 -13.972 -9.016 1.00 1.41 H new ATOM 0 HG2 ARG A 51 20.960 -15.302 -8.586 1.00 5.51 H new ATOM 0 HG3 ARG A 51 21.099 -16.020 -10.179 1.00 5.51 H new ATOM 0 HD2 ARG A 51 23.219 -16.215 -8.001 1.00 45.01 H new ATOM 0 HD3 ARG A 51 22.034 -17.458 -8.351 1.00 45.01 H new ATOM 0 HE ARG A 51 24.460 -16.871 -9.863 1.00 22.43 H new ATOM 0 HH11 ARG A 51 21.198 -18.212 -10.016 1.00 34.34 H new ATOM 0 HH12 ARG A 51 21.565 -19.251 -11.397 1.00 34.34 H new ATOM 0 HH21 ARG A 51 24.924 -18.208 -11.637 1.00 14.23 H new ATOM 0 HH22 ARG A 51 23.666 -19.249 -12.311 1.00 14.23 H new ATOM 789 N PHE A 52 21.152 -11.636 -8.634 1.00 32.31 N ATOM 790 CA PHE A 52 20.425 -10.998 -7.542 1.00 61.24 C ATOM 791 C PHE A 52 19.594 -9.825 -8.055 1.00 23.35 C ATOM 792 O PHE A 52 18.796 -9.248 -7.317 1.00 52.24 O ATOM 793 CB PHE A 52 21.400 -10.516 -6.466 1.00 34.01 C ATOM 794 CG PHE A 52 21.653 -11.531 -5.388 1.00 72.23 C ATOM 795 CD1 PHE A 52 21.955 -12.844 -5.712 1.00 71.10 C ATOM 796 CD2 PHE A 52 21.588 -11.173 -4.051 1.00 41.34 C ATOM 797 CE1 PHE A 52 22.189 -13.781 -4.723 1.00 13.22 C ATOM 798 CE2 PHE A 52 21.821 -12.105 -3.058 1.00 4.20 C ATOM 799 CZ PHE A 52 22.121 -13.411 -3.394 1.00 52.40 C ATOM 0 H PHE A 52 22.046 -11.198 -8.858 1.00 32.31 H new ATOM 0 HA PHE A 52 19.750 -11.735 -7.107 1.00 61.24 H new ATOM 0 HB2 PHE A 52 22.348 -10.254 -6.937 1.00 34.01 H new ATOM 0 HB3 PHE A 52 21.007 -9.606 -6.012 1.00 34.01 H new ATOM 0 HD1 PHE A 52 22.008 -13.139 -6.750 1.00 71.10 H new ATOM 0 HD2 PHE A 52 21.353 -10.154 -3.782 1.00 41.34 H new ATOM 0 HE1 PHE A 52 22.425 -14.801 -4.989 1.00 13.22 H new ATOM 0 HE2 PHE A 52 21.769 -11.813 -2.020 1.00 4.20 H new ATOM 0 HZ PHE A 52 22.302 -14.141 -2.619 1.00 52.40 H new ATOM 809 N ALA A 53 19.789 -9.479 -9.323 1.00 4.24 N ATOM 810 CA ALA A 53 19.058 -8.376 -9.935 1.00 21.44 C ATOM 811 C ALA A 53 17.845 -8.884 -10.706 1.00 55.20 C ATOM 812 O ALA A 53 17.830 -10.019 -11.181 1.00 72.44 O ATOM 813 CB ALA A 53 19.974 -7.580 -10.852 1.00 61.21 C ATOM 0 H ALA A 53 20.447 -9.946 -9.947 1.00 4.24 H new ATOM 0 HA ALA A 53 18.702 -7.722 -9.139 1.00 21.44 H new ATOM 0 HB1 ALA A 53 19.415 -6.760 -11.302 1.00 61.21 H new ATOM 0 HB2 ALA A 53 20.807 -7.178 -10.275 1.00 61.21 H new ATOM 0 HB3 ALA A 53 20.358 -8.231 -11.637 1.00 61.21 H new ATOM 819 N ARG A 54 16.828 -8.036 -10.826 1.00 4.31 N ATOM 820 CA ARG A 54 15.609 -8.400 -11.538 1.00 45.42 C ATOM 821 C ARG A 54 15.244 -7.335 -12.569 1.00 34.43 C ATOM 822 O ARG A 54 15.166 -6.148 -12.251 1.00 62.01 O ATOM 823 CB ARG A 54 14.455 -8.589 -10.553 1.00 12.02 C ATOM 824 CG ARG A 54 13.183 -9.116 -11.198 1.00 44.53 C ATOM 825 CD ARG A 54 13.241 -10.622 -11.395 1.00 23.32 C ATOM 826 NE ARG A 54 12.894 -11.347 -10.175 1.00 63.13 N ATOM 827 CZ ARG A 54 11.646 -11.528 -9.758 1.00 3.34 C ATOM 828 NH1 ARG A 54 10.632 -11.039 -10.458 1.00 61.41 N ATOM 829 NH2 ARG A 54 11.411 -12.199 -8.637 1.00 51.33 N ATOM 0 H ARG A 54 16.824 -7.092 -10.439 1.00 4.31 H new ATOM 0 HA ARG A 54 15.789 -9.340 -12.060 1.00 45.42 H new ATOM 0 HB2 ARG A 54 14.767 -9.279 -9.769 1.00 12.02 H new ATOM 0 HB3 ARG A 54 14.240 -7.635 -10.071 1.00 12.02 H new ATOM 0 HG2 ARG A 54 12.326 -8.862 -10.575 1.00 44.53 H new ATOM 0 HG3 ARG A 54 13.033 -8.628 -12.161 1.00 44.53 H new ATOM 0 HD2 ARG A 54 12.558 -10.910 -12.194 1.00 23.32 H new ATOM 0 HD3 ARG A 54 14.243 -10.908 -11.714 1.00 23.32 H new ATOM 0 HE ARG A 54 13.651 -11.735 -9.613 1.00 63.13 H new ATOM 0 HH11 ARG A 54 10.809 -10.522 -11.319 1.00 61.41 H new ATOM 0 HH12 ARG A 54 9.675 -11.180 -10.135 1.00 61.41 H new ATOM 0 HH21 ARG A 54 12.189 -12.576 -8.096 1.00 51.33 H new ATOM 0 HH22 ARG A 54 10.452 -12.338 -8.317 1.00 51.33 H new ATOM 843 N THR A 55 15.020 -7.769 -13.806 1.00 12.45 N ATOM 844 CA THR A 55 14.664 -6.854 -14.883 1.00 40.00 C ATOM 845 C THR A 55 13.214 -6.399 -14.762 1.00 60.41 C ATOM 846 O THR A 55 12.384 -6.705 -15.619 1.00 22.14 O ATOM 847 CB THR A 55 14.873 -7.504 -16.264 1.00 32.23 C ATOM 848 OG1 THR A 55 13.971 -8.604 -16.429 1.00 20.24 O ATOM 849 CG2 THR A 55 16.306 -7.989 -16.423 1.00 1.45 C ATOM 0 H THR A 55 15.079 -8.748 -14.086 1.00 12.45 H new ATOM 0 HA THR A 55 15.321 -5.989 -14.793 1.00 40.00 H new ATOM 0 HB THR A 55 14.674 -6.753 -17.028 1.00 32.23 H new ATOM 0 HG1 THR A 55 13.048 -8.282 -16.366 1.00 20.24 H new ATOM 0 HG21 THR A 55 16.429 -8.444 -17.406 1.00 1.45 H new ATOM 0 HG22 THR A 55 16.989 -7.145 -16.326 1.00 1.45 H new ATOM 0 HG23 THR A 55 16.528 -8.726 -15.651 1.00 1.45 H new ATOM 857 N ASP A 56 12.916 -5.668 -13.694 1.00 54.43 N ATOM 858 CA ASP A 56 11.565 -5.169 -13.462 1.00 51.14 C ATOM 859 C ASP A 56 11.594 -3.712 -13.012 1.00 54.44 C ATOM 860 O ASP A 56 12.597 -3.236 -12.481 1.00 75.31 O ATOM 861 CB ASP A 56 10.855 -6.026 -12.413 1.00 41.11 C ATOM 862 CG ASP A 56 10.013 -7.123 -13.035 1.00 4.15 C ATOM 863 OD1 ASP A 56 9.133 -6.800 -13.860 1.00 20.42 O ATOM 864 OD2 ASP A 56 10.235 -8.304 -12.696 1.00 65.23 O ATOM 0 H ASP A 56 13.591 -5.408 -12.975 1.00 54.43 H new ATOM 0 HA ASP A 56 11.015 -5.229 -14.401 1.00 51.14 H new ATOM 0 HB2 ASP A 56 11.596 -6.473 -11.750 1.00 41.11 H new ATOM 0 HB3 ASP A 56 10.220 -5.389 -11.797 1.00 41.11 H new ATOM 869 N GLU A 57 10.487 -3.008 -13.230 1.00 74.31 N ATOM 870 CA GLU A 57 10.387 -1.605 -12.848 1.00 52.43 C ATOM 871 C GLU A 57 9.385 -1.420 -11.712 1.00 4.23 C ATOM 872 O GLU A 57 8.976 -2.386 -11.068 1.00 71.41 O ATOM 873 CB GLU A 57 9.972 -0.754 -14.051 1.00 25.21 C ATOM 874 CG GLU A 57 8.527 -0.959 -14.472 1.00 41.02 C ATOM 875 CD GLU A 57 8.328 -0.806 -15.968 1.00 10.13 C ATOM 876 OE1 GLU A 57 8.825 0.190 -16.534 1.00 71.21 O ATOM 877 OE2 GLU A 57 7.675 -1.683 -16.571 1.00 40.24 O ATOM 0 H GLU A 57 9.648 -3.387 -13.669 1.00 74.31 H new ATOM 0 HA GLU A 57 11.368 -1.279 -12.502 1.00 52.43 H new ATOM 0 HB2 GLU A 57 10.126 0.298 -13.811 1.00 25.21 H new ATOM 0 HB3 GLU A 57 10.624 -0.988 -14.893 1.00 25.21 H new ATOM 0 HG2 GLU A 57 8.201 -1.953 -14.166 1.00 41.02 H new ATOM 0 HG3 GLU A 57 7.895 -0.241 -13.950 1.00 41.02 H new ATOM 884 N ILE A 58 8.996 -0.172 -11.471 1.00 23.41 N ATOM 885 CA ILE A 58 8.043 0.139 -10.413 1.00 42.31 C ATOM 886 C ILE A 58 6.670 0.468 -10.990 1.00 22.14 C ATOM 887 O ILE A 58 6.544 1.314 -11.874 1.00 14.20 O ATOM 888 CB ILE A 58 8.523 1.324 -9.554 1.00 24.44 C ATOM 889 CG1 ILE A 58 9.086 2.433 -10.444 1.00 43.22 C ATOM 890 CG2 ILE A 58 9.569 0.860 -8.551 1.00 3.24 C ATOM 891 CD1 ILE A 58 10.569 2.300 -10.710 1.00 44.44 C ATOM 0 H ILE A 58 9.326 0.639 -11.994 1.00 23.41 H new ATOM 0 HA ILE A 58 7.968 -0.748 -9.785 1.00 42.31 H new ATOM 0 HB ILE A 58 7.671 1.724 -9.004 1.00 24.44 H new ATOM 0 HG12 ILE A 58 8.553 2.430 -11.395 1.00 43.22 H new ATOM 0 HG13 ILE A 58 8.895 3.398 -9.974 1.00 43.22 H new ATOM 0 HG21 ILE A 58 9.899 1.708 -7.951 1.00 3.24 H new ATOM 0 HG22 ILE A 58 9.137 0.101 -7.899 1.00 3.24 H new ATOM 0 HG23 ILE A 58 10.422 0.438 -9.083 1.00 3.24 H new ATOM 0 HD11 ILE A 58 10.899 3.120 -11.348 1.00 44.44 H new ATOM 0 HD12 ILE A 58 11.112 2.333 -9.766 1.00 44.44 H new ATOM 0 HD13 ILE A 58 10.766 1.351 -11.209 1.00 44.44 H new ATOM 903 N MET A 59 5.644 -0.206 -10.481 1.00 21.32 N ATOM 904 CA MET A 59 4.279 0.016 -10.943 1.00 41.53 C ATOM 905 C MET A 59 3.710 1.304 -10.356 1.00 75.01 C ATOM 906 O MET A 59 4.235 1.860 -9.391 1.00 74.12 O ATOM 907 CB MET A 59 3.389 -1.169 -10.563 1.00 43.52 C ATOM 908 CG MET A 59 3.053 -2.076 -11.735 1.00 71.41 C ATOM 909 SD MET A 59 1.418 -2.822 -11.589 1.00 30.53 S ATOM 910 CE MET A 59 1.823 -4.560 -11.753 1.00 14.42 C ATOM 0 H MET A 59 5.732 -0.910 -9.749 1.00 21.32 H new ATOM 0 HA MET A 59 4.300 0.110 -12.029 1.00 41.53 H new ATOM 0 HB2 MET A 59 3.888 -1.755 -9.792 1.00 43.52 H new ATOM 0 HB3 MET A 59 2.463 -0.793 -10.128 1.00 43.52 H new ATOM 0 HG2 MET A 59 3.105 -1.502 -12.660 1.00 71.41 H new ATOM 0 HG3 MET A 59 3.803 -2.864 -11.806 1.00 71.41 H new ATOM 0 HE1 MET A 59 0.912 -5.154 -11.683 1.00 14.42 H new ATOM 0 HE2 MET A 59 2.297 -4.734 -12.719 1.00 14.42 H new ATOM 0 HE3 MET A 59 2.507 -4.851 -10.956 1.00 14.42 H new ATOM 920 N PRO A 60 2.610 1.791 -10.950 1.00 60.23 N ATOM 921 CA PRO A 60 1.946 3.018 -10.502 1.00 53.32 C ATOM 922 C PRO A 60 1.259 2.846 -9.152 1.00 34.31 C ATOM 923 O PRO A 60 0.856 3.823 -8.522 1.00 34.45 O ATOM 924 CB PRO A 60 0.911 3.282 -11.599 1.00 11.22 C ATOM 925 CG PRO A 60 0.638 1.943 -12.192 1.00 14.21 C ATOM 926 CD PRO A 60 1.930 1.180 -12.105 1.00 43.21 C ATOM 0 HA PRO A 60 2.653 3.835 -10.358 1.00 53.32 H new ATOM 0 HB2 PRO A 60 0.004 3.726 -11.189 1.00 11.22 H new ATOM 0 HB3 PRO A 60 1.295 3.975 -12.347 1.00 11.22 H new ATOM 0 HG2 PRO A 60 -0.155 1.430 -11.648 1.00 14.21 H new ATOM 0 HG3 PRO A 60 0.308 2.035 -13.227 1.00 14.21 H new ATOM 0 HD2 PRO A 60 1.758 0.115 -11.953 1.00 43.21 H new ATOM 0 HD3 PRO A 60 2.518 1.281 -13.017 1.00 43.21 H new ATOM 934 N GLU A 61 1.129 1.597 -8.714 1.00 40.11 N ATOM 935 CA GLU A 61 0.490 1.298 -7.438 1.00 51.20 C ATOM 936 C GLU A 61 1.496 1.377 -6.294 1.00 4.33 C ATOM 937 O GLU A 61 1.119 1.509 -5.129 1.00 63.11 O ATOM 938 CB GLU A 61 -0.148 -0.092 -7.475 1.00 54.12 C ATOM 939 CG GLU A 61 0.846 -1.224 -7.277 1.00 11.44 C ATOM 940 CD GLU A 61 0.217 -2.591 -7.460 1.00 22.32 C ATOM 941 OE1 GLU A 61 0.189 -3.082 -8.608 1.00 45.21 O ATOM 942 OE2 GLU A 61 -0.247 -3.171 -6.456 1.00 11.21 O ATOM 0 H GLU A 61 1.458 0.777 -9.224 1.00 40.11 H new ATOM 0 HA GLU A 61 -0.288 2.043 -7.267 1.00 51.20 H new ATOM 0 HB2 GLU A 61 -0.913 -0.152 -6.701 1.00 54.12 H new ATOM 0 HB3 GLU A 61 -0.652 -0.226 -8.432 1.00 54.12 H new ATOM 0 HG2 GLU A 61 1.668 -1.109 -7.984 1.00 11.44 H new ATOM 0 HG3 GLU A 61 1.274 -1.156 -6.277 1.00 11.44 H new ATOM 949 N ASP A 62 2.778 1.296 -6.634 1.00 72.52 N ATOM 950 CA ASP A 62 3.840 1.358 -5.637 1.00 14.25 C ATOM 951 C ASP A 62 4.805 2.500 -5.941 1.00 73.41 C ATOM 952 O ASP A 62 4.514 3.371 -6.761 1.00 10.23 O ATOM 953 CB ASP A 62 4.599 0.032 -5.585 1.00 21.40 C ATOM 954 CG ASP A 62 4.005 -1.012 -6.510 1.00 72.12 C ATOM 955 OD1 ASP A 62 4.099 -0.835 -7.743 1.00 70.21 O ATOM 956 OD2 ASP A 62 3.446 -2.006 -6.001 1.00 64.25 O ATOM 0 H ASP A 62 3.107 1.187 -7.593 1.00 72.52 H new ATOM 0 HA ASP A 62 3.382 1.543 -4.665 1.00 14.25 H new ATOM 0 HB2 ASP A 62 5.641 0.202 -5.856 1.00 21.40 H new ATOM 0 HB3 ASP A 62 4.593 -0.347 -4.563 1.00 21.40 H new ATOM 961 N LYS A 63 5.954 2.489 -5.275 1.00 43.10 N ATOM 962 CA LYS A 63 6.964 3.523 -5.473 1.00 74.44 C ATOM 963 C LYS A 63 8.351 3.006 -5.106 1.00 70.23 C ATOM 964 O LYS A 63 8.513 1.846 -4.725 1.00 15.14 O ATOM 965 CB LYS A 63 6.630 4.758 -4.635 1.00 14.32 C ATOM 966 CG LYS A 63 5.691 4.471 -3.476 1.00 12.22 C ATOM 967 CD LYS A 63 5.819 5.518 -2.382 1.00 12.11 C ATOM 968 CE LYS A 63 4.950 6.733 -2.669 1.00 43.31 C ATOM 969 NZ LYS A 63 3.509 6.458 -2.414 1.00 62.34 N ATOM 0 H LYS A 63 6.210 1.775 -4.593 1.00 43.10 H new ATOM 0 HA LYS A 63 6.965 3.797 -6.528 1.00 74.44 H new ATOM 0 HB2 LYS A 63 7.555 5.183 -4.246 1.00 14.32 H new ATOM 0 HB3 LYS A 63 6.179 5.513 -5.279 1.00 14.32 H new ATOM 0 HG2 LYS A 63 4.663 4.445 -3.837 1.00 12.22 H new ATOM 0 HG3 LYS A 63 5.910 3.485 -3.065 1.00 12.22 H new ATOM 0 HD2 LYS A 63 5.533 5.082 -1.425 1.00 12.11 H new ATOM 0 HD3 LYS A 63 6.860 5.827 -2.293 1.00 12.11 H new ATOM 0 HE2 LYS A 63 5.276 7.567 -2.048 1.00 43.31 H new ATOM 0 HE3 LYS A 63 5.083 7.038 -3.707 1.00 43.31 H new ATOM 0 HZ1 LYS A 63 2.978 7.352 -2.423 1.00 62.34 H new ATOM 0 HZ2 LYS A 63 3.139 5.829 -3.155 1.00 62.34 H new ATOM 0 HZ3 LYS A 63 3.402 6.001 -1.486 1.00 62.34 H new ATOM 983 N THR A 64 9.351 3.874 -5.222 1.00 40.15 N ATOM 984 CA THR A 64 10.724 3.506 -4.903 1.00 23.44 C ATOM 985 C THR A 64 11.236 4.284 -3.696 1.00 53.40 C ATOM 986 O THR A 64 11.331 5.511 -3.731 1.00 43.34 O ATOM 987 CB THR A 64 11.665 3.754 -6.096 1.00 43.44 C ATOM 988 OG1 THR A 64 11.800 2.558 -6.872 1.00 1.14 O ATOM 989 CG2 THR A 64 13.035 4.213 -5.619 1.00 62.52 C ATOM 0 H THR A 64 9.235 4.838 -5.535 1.00 40.15 H new ATOM 0 HA THR A 64 10.719 2.441 -4.670 1.00 23.44 H new ATOM 0 HB THR A 64 11.231 4.540 -6.714 1.00 43.44 H new ATOM 0 HG1 THR A 64 12.399 2.725 -7.629 1.00 1.14 H new ATOM 0 HG21 THR A 64 13.682 4.382 -6.480 1.00 62.52 H new ATOM 0 HG22 THR A 64 12.932 5.140 -5.055 1.00 62.52 H new ATOM 0 HG23 THR A 64 13.473 3.446 -4.980 1.00 62.52 H new ATOM 997 N VAL A 65 11.564 3.564 -2.628 1.00 62.13 N ATOM 998 CA VAL A 65 12.068 4.188 -1.411 1.00 21.34 C ATOM 999 C VAL A 65 13.220 5.138 -1.716 1.00 64.03 C ATOM 1000 O VAL A 65 13.331 6.208 -1.120 1.00 4.14 O ATOM 1001 CB VAL A 65 12.543 3.132 -0.394 1.00 42.35 C ATOM 1002 CG1 VAL A 65 13.312 2.023 -1.096 1.00 42.33 C ATOM 1003 CG2 VAL A 65 13.394 3.780 0.687 1.00 0.05 C ATOM 0 H VAL A 65 11.490 2.548 -2.581 1.00 62.13 H new ATOM 0 HA VAL A 65 11.241 4.752 -0.979 1.00 21.34 H new ATOM 0 HB VAL A 65 11.667 2.690 0.081 1.00 42.35 H new ATOM 0 HG11 VAL A 65 13.640 1.287 -0.362 1.00 42.33 H new ATOM 0 HG12 VAL A 65 12.667 1.541 -1.830 1.00 42.33 H new ATOM 0 HG13 VAL A 65 14.182 2.445 -1.599 1.00 42.33 H new ATOM 0 HG21 VAL A 65 13.721 3.020 1.397 1.00 0.05 H new ATOM 0 HG22 VAL A 65 14.266 4.250 0.231 1.00 0.05 H new ATOM 0 HG23 VAL A 65 12.806 4.535 1.209 1.00 0.05 H new ATOM 1013 N GLY A 66 14.077 4.739 -2.651 1.00 43.05 N ATOM 1014 CA GLY A 66 15.211 5.567 -3.021 1.00 34.21 C ATOM 1015 C GLY A 66 16.351 4.760 -3.608 1.00 63.51 C ATOM 1016 O GLY A 66 16.192 3.578 -3.915 1.00 54.02 O ATOM 0 H GLY A 66 14.007 3.857 -3.159 1.00 43.05 H new ATOM 0 HA2 GLY A 66 14.889 6.316 -3.745 1.00 34.21 H new ATOM 0 HA3 GLY A 66 15.566 6.105 -2.142 1.00 34.21 H new ATOM 1020 N PHE A 67 17.506 5.398 -3.766 1.00 51.25 N ATOM 1021 CA PHE A 67 18.678 4.732 -4.324 1.00 14.44 C ATOM 1022 C PHE A 67 19.894 4.928 -3.423 1.00 52.22 C ATOM 1023 O PHE A 67 20.042 5.966 -2.778 1.00 30.13 O ATOM 1024 CB PHE A 67 18.976 5.267 -5.726 1.00 13.21 C ATOM 1025 CG PHE A 67 17.761 5.789 -6.439 1.00 61.54 C ATOM 1026 CD1 PHE A 67 16.813 4.916 -6.949 1.00 42.23 C ATOM 1027 CD2 PHE A 67 17.568 7.151 -6.601 1.00 13.14 C ATOM 1028 CE1 PHE A 67 15.694 5.393 -7.606 1.00 61.41 C ATOM 1029 CE2 PHE A 67 16.451 7.633 -7.256 1.00 14.30 C ATOM 1030 CZ PHE A 67 15.513 6.753 -7.760 1.00 43.04 C ATOM 0 H PHE A 67 17.656 6.375 -3.516 1.00 51.25 H new ATOM 0 HA PHE A 67 18.463 3.665 -4.388 1.00 14.44 H new ATOM 0 HB2 PHE A 67 19.715 6.065 -5.652 1.00 13.21 H new ATOM 0 HB3 PHE A 67 19.424 4.472 -6.322 1.00 13.21 H new ATOM 0 HD1 PHE A 67 16.950 3.851 -6.832 1.00 42.23 H new ATOM 0 HD2 PHE A 67 18.299 7.844 -6.211 1.00 13.14 H new ATOM 0 HE1 PHE A 67 14.962 4.702 -7.998 1.00 61.41 H new ATOM 0 HE2 PHE A 67 16.311 8.697 -7.374 1.00 14.30 H new ATOM 0 HZ PHE A 67 14.640 7.128 -8.273 1.00 43.04 H new ATOM 1040 N VAL A 68 20.762 3.922 -3.385 1.00 2.52 N ATOM 1041 CA VAL A 68 21.966 3.983 -2.565 1.00 21.24 C ATOM 1042 C VAL A 68 23.222 3.904 -3.425 1.00 40.33 C ATOM 1043 O VAL A 68 23.360 3.012 -4.262 1.00 34.21 O ATOM 1044 CB VAL A 68 21.996 2.845 -1.527 1.00 61.21 C ATOM 1045 CG1 VAL A 68 23.314 2.850 -0.767 1.00 34.50 C ATOM 1046 CG2 VAL A 68 20.819 2.965 -0.571 1.00 1.11 C ATOM 0 H VAL A 68 20.654 3.056 -3.912 1.00 2.52 H new ATOM 0 HA VAL A 68 21.946 4.940 -2.044 1.00 21.24 H new ATOM 0 HB VAL A 68 21.911 1.894 -2.053 1.00 61.21 H new ATOM 0 HG11 VAL A 68 23.317 2.039 -0.038 1.00 34.50 H new ATOM 0 HG12 VAL A 68 24.138 2.712 -1.467 1.00 34.50 H new ATOM 0 HG13 VAL A 68 23.433 3.803 -0.251 1.00 34.50 H new ATOM 0 HG21 VAL A 68 20.856 2.153 0.155 1.00 1.11 H new ATOM 0 HG22 VAL A 68 20.870 3.921 -0.050 1.00 1.11 H new ATOM 0 HG23 VAL A 68 19.887 2.907 -1.133 1.00 1.11 H new ATOM 1056 N VAL A 69 24.137 4.845 -3.214 1.00 24.30 N ATOM 1057 CA VAL A 69 25.384 4.882 -3.969 1.00 70.33 C ATOM 1058 C VAL A 69 26.557 4.409 -3.118 1.00 33.43 C ATOM 1059 O VAL A 69 26.869 5.004 -2.086 1.00 71.32 O ATOM 1060 CB VAL A 69 25.682 6.300 -4.491 1.00 60.35 C ATOM 1061 CG1 VAL A 69 26.886 6.284 -5.422 1.00 15.44 C ATOM 1062 CG2 VAL A 69 24.462 6.876 -5.194 1.00 70.53 C ATOM 0 H VAL A 69 24.038 5.592 -2.526 1.00 24.30 H new ATOM 0 HA VAL A 69 25.260 4.209 -4.817 1.00 70.33 H new ATOM 0 HB VAL A 69 25.919 6.939 -3.641 1.00 60.35 H new ATOM 0 HG11 VAL A 69 27.082 7.294 -5.781 1.00 15.44 H new ATOM 0 HG12 VAL A 69 27.758 5.915 -4.882 1.00 15.44 H new ATOM 0 HG13 VAL A 69 26.681 5.631 -6.270 1.00 15.44 H new ATOM 0 HG21 VAL A 69 24.690 7.878 -5.556 1.00 70.53 H new ATOM 0 HG22 VAL A 69 24.192 6.238 -6.036 1.00 70.53 H new ATOM 0 HG23 VAL A 69 23.628 6.925 -4.494 1.00 70.53 H new ATOM 1072 N VAL A 70 27.204 3.334 -3.557 1.00 21.23 N ATOM 1073 CA VAL A 70 28.344 2.781 -2.836 1.00 24.22 C ATOM 1074 C VAL A 70 29.573 2.695 -3.734 1.00 4.41 C ATOM 1075 O VAL A 70 29.576 1.977 -4.733 1.00 11.42 O ATOM 1076 CB VAL A 70 28.031 1.379 -2.279 1.00 55.32 C ATOM 1077 CG1 VAL A 70 29.058 0.978 -1.231 1.00 54.52 C ATOM 1078 CG2 VAL A 70 26.624 1.339 -1.702 1.00 33.31 C ATOM 0 H VAL A 70 26.958 2.829 -4.408 1.00 21.23 H new ATOM 0 HA VAL A 70 28.550 3.456 -2.005 1.00 24.22 H new ATOM 0 HB VAL A 70 28.085 0.661 -3.097 1.00 55.32 H new ATOM 0 HG11 VAL A 70 28.820 -0.015 -0.850 1.00 54.52 H new ATOM 0 HG12 VAL A 70 30.051 0.966 -1.681 1.00 54.52 H new ATOM 0 HG13 VAL A 70 29.040 1.696 -0.411 1.00 54.52 H new ATOM 0 HG21 VAL A 70 26.419 0.342 -1.313 1.00 33.31 H new ATOM 0 HG22 VAL A 70 26.541 2.068 -0.896 1.00 33.31 H new ATOM 0 HG23 VAL A 70 25.903 1.579 -2.484 1.00 33.31 H new ATOM 1088 N ASN A 71 30.618 3.433 -3.370 1.00 55.15 N ATOM 1089 CA ASN A 71 31.854 3.441 -4.144 1.00 0.03 C ATOM 1090 C ASN A 71 33.032 2.982 -3.290 1.00 43.02 C ATOM 1091 O ASN A 71 33.469 3.691 -2.384 1.00 33.01 O ATOM 1092 CB ASN A 71 32.125 4.842 -4.697 1.00 23.44 C ATOM 1093 CG ASN A 71 30.942 5.400 -5.463 1.00 13.03 C ATOM 1094 OD1 ASN A 71 30.176 6.271 -4.816 1.00 31.44 O flip ATOM 1095 ND2 ASN A 71 30.719 5.053 -6.623 1.00 31.23 N flip ATOM 0 H ASN A 71 30.633 4.032 -2.545 1.00 55.15 H new ATOM 0 HA ASN A 71 31.738 2.746 -4.976 1.00 0.03 H new ATOM 0 HB2 ASN A 71 32.371 5.513 -3.874 1.00 23.44 H new ATOM 0 HB3 ASN A 71 32.996 4.809 -5.352 1.00 23.44 H new ATOM 0 HD21 ASN A 71 31.334 4.381 -7.081 1.00 31.23 H new ATOM 0 HD22 ASN A 71 29.919 5.438 -7.126 1.00 31.23 H new ATOM 1102 N ALA A 72 33.543 1.791 -3.587 1.00 52.52 N ATOM 1103 CA ALA A 72 34.672 1.239 -2.849 1.00 71.24 C ATOM 1104 C ALA A 72 35.952 2.013 -3.144 1.00 42.11 C ATOM 1105 O ALA A 72 36.790 2.204 -2.263 1.00 3.03 O ATOM 1106 CB ALA A 72 34.854 -0.233 -3.188 1.00 34.44 C ATOM 0 H ALA A 72 33.193 1.191 -4.333 1.00 52.52 H new ATOM 0 HA ALA A 72 34.459 1.333 -1.784 1.00 71.24 H new ATOM 0 HB1 ALA A 72 35.701 -0.633 -2.630 1.00 34.44 H new ATOM 0 HB2 ALA A 72 33.951 -0.782 -2.921 1.00 34.44 H new ATOM 0 HB3 ALA A 72 35.041 -0.340 -4.257 1.00 34.44 H new ATOM 1112 N ASP A 73 36.097 2.456 -4.388 1.00 60.01 N ATOM 1113 CA ASP A 73 37.276 3.210 -4.799 1.00 14.21 C ATOM 1114 C ASP A 73 37.414 4.490 -3.980 1.00 65.22 C ATOM 1115 O ASP A 73 38.523 4.906 -3.642 1.00 14.25 O ATOM 1116 CB ASP A 73 37.197 3.549 -6.288 1.00 61.13 C ATOM 1117 CG ASP A 73 38.527 3.368 -6.994 1.00 13.40 C ATOM 1118 OD1 ASP A 73 39.231 2.384 -6.689 1.00 30.42 O ATOM 1119 OD2 ASP A 73 38.863 4.213 -7.851 1.00 24.51 O ATOM 0 H ASP A 73 35.413 2.306 -5.129 1.00 60.01 H new ATOM 0 HA ASP A 73 38.154 2.589 -4.622 1.00 14.21 H new ATOM 0 HB2 ASP A 73 36.448 2.916 -6.763 1.00 61.13 H new ATOM 0 HB3 ASP A 73 36.864 4.580 -6.406 1.00 61.13 H new ATOM 1124 N LYS A 74 36.283 5.111 -3.666 1.00 34.33 N ATOM 1125 CA LYS A 74 36.276 6.343 -2.887 1.00 3.13 C ATOM 1126 C LYS A 74 36.089 6.047 -1.402 1.00 40.40 C ATOM 1127 O LYS A 74 36.320 6.908 -0.553 1.00 0.33 O ATOM 1128 CB LYS A 74 35.165 7.274 -3.376 1.00 50.51 C ATOM 1129 CG LYS A 74 35.452 7.906 -4.727 1.00 52.04 C ATOM 1130 CD LYS A 74 36.646 8.843 -4.663 1.00 10.44 C ATOM 1131 CE LYS A 74 36.748 9.703 -5.913 1.00 64.13 C ATOM 1132 NZ LYS A 74 37.700 10.834 -5.733 1.00 21.13 N ATOM 0 H LYS A 74 35.358 4.781 -3.940 1.00 34.33 H new ATOM 0 HA LYS A 74 37.239 6.834 -3.023 1.00 3.13 H new ATOM 0 HB2 LYS A 74 34.233 6.713 -3.438 1.00 50.51 H new ATOM 0 HB3 LYS A 74 35.014 8.063 -2.640 1.00 50.51 H new ATOM 0 HG2 LYS A 74 35.641 7.124 -5.462 1.00 52.04 H new ATOM 0 HG3 LYS A 74 34.574 8.456 -5.066 1.00 52.04 H new ATOM 0 HD2 LYS A 74 36.560 9.484 -3.785 1.00 10.44 H new ATOM 0 HD3 LYS A 74 37.560 8.261 -4.545 1.00 10.44 H new ATOM 0 HE2 LYS A 74 37.071 9.087 -6.752 1.00 64.13 H new ATOM 0 HE3 LYS A 74 35.763 10.095 -6.166 1.00 64.13 H new ATOM 0 HZ1 LYS A 74 37.741 11.396 -6.607 1.00 21.13 H new ATOM 0 HZ2 LYS A 74 37.379 11.437 -4.949 1.00 21.13 H new ATOM 0 HZ3 LYS A 74 38.646 10.460 -5.517 1.00 21.13 H new ATOM 1146 N LYS A 75 35.670 4.824 -1.095 1.00 45.23 N ATOM 1147 CA LYS A 75 35.455 4.413 0.287 1.00 73.02 C ATOM 1148 C LYS A 75 34.339 5.231 0.930 1.00 24.11 C ATOM 1149 O LYS A 75 34.424 5.602 2.102 1.00 62.04 O ATOM 1150 CB LYS A 75 36.746 4.568 1.094 1.00 33.40 C ATOM 1151 CG LYS A 75 37.944 3.882 0.461 1.00 5.52 C ATOM 1152 CD LYS A 75 37.912 2.380 0.688 1.00 51.34 C ATOM 1153 CE LYS A 75 39.288 1.759 0.504 1.00 20.03 C ATOM 1154 NZ LYS A 75 40.196 2.076 1.642 1.00 74.14 N ATOM 0 H LYS A 75 35.472 4.100 -1.786 1.00 45.23 H new ATOM 0 HA LYS A 75 35.159 3.364 0.286 1.00 73.02 H new ATOM 0 HB2 LYS A 75 36.966 5.629 1.212 1.00 33.40 H new ATOM 0 HB3 LYS A 75 36.591 4.161 2.093 1.00 33.40 H new ATOM 0 HG2 LYS A 75 37.959 4.089 -0.609 1.00 5.52 H new ATOM 0 HG3 LYS A 75 38.863 4.294 0.878 1.00 5.52 H new ATOM 0 HD2 LYS A 75 37.549 2.171 1.694 1.00 51.34 H new ATOM 0 HD3 LYS A 75 37.209 1.921 -0.007 1.00 51.34 H new ATOM 0 HE2 LYS A 75 39.189 0.678 0.409 1.00 20.03 H new ATOM 0 HE3 LYS A 75 39.729 2.122 -0.425 1.00 20.03 H new ATOM 0 HZ1 LYS A 75 41.037 1.466 1.595 1.00 74.14 H new ATOM 0 HZ2 LYS A 75 40.487 3.073 1.587 1.00 74.14 H new ATOM 0 HZ3 LYS A 75 39.698 1.910 2.540 1.00 74.14 H new ATOM 1168 N LEU A 76 33.294 5.507 0.158 1.00 3.51 N ATOM 1169 CA LEU A 76 32.161 6.280 0.653 1.00 14.44 C ATOM 1170 C LEU A 76 30.844 5.708 0.137 1.00 3.22 C ATOM 1171 O LEU A 76 30.793 5.122 -0.943 1.00 74.34 O ATOM 1172 CB LEU A 76 32.293 7.745 0.232 1.00 64.10 C ATOM 1173 CG LEU A 76 33.012 7.999 -1.094 1.00 14.33 C ATOM 1174 CD1 LEU A 76 32.157 7.533 -2.262 1.00 20.31 C ATOM 1175 CD2 LEU A 76 33.357 9.474 -1.239 1.00 11.22 C ATOM 0 H LEU A 76 33.208 5.207 -0.813 1.00 3.51 H new ATOM 0 HA LEU A 76 32.161 6.220 1.741 1.00 14.44 H new ATOM 0 HB2 LEU A 76 31.294 8.176 0.169 1.00 64.10 H new ATOM 0 HB3 LEU A 76 32.823 8.282 1.019 1.00 64.10 H new ATOM 0 HG LEU A 76 33.940 7.427 -1.098 1.00 14.33 H new ATOM 0 HD11 LEU A 76 32.684 7.722 -3.197 1.00 20.31 H new ATOM 0 HD12 LEU A 76 31.960 6.465 -2.165 1.00 20.31 H new ATOM 0 HD13 LEU A 76 31.213 8.078 -2.262 1.00 20.31 H new ATOM 0 HD21 LEU A 76 33.868 9.637 -2.188 1.00 11.22 H new ATOM 0 HD22 LEU A 76 32.442 10.066 -1.214 1.00 11.22 H new ATOM 0 HD23 LEU A 76 34.008 9.778 -0.419 1.00 11.22 H new ATOM 1187 N MET A 77 29.782 5.885 0.916 1.00 22.13 N ATOM 1188 CA MET A 77 28.465 5.389 0.536 1.00 73.13 C ATOM 1189 C MET A 77 27.370 6.346 0.995 1.00 13.34 C ATOM 1190 O MET A 77 27.322 6.735 2.162 1.00 34.34 O ATOM 1191 CB MET A 77 28.227 4.000 1.132 1.00 43.13 C ATOM 1192 CG MET A 77 26.767 3.577 1.124 1.00 23.11 C ATOM 1193 SD MET A 77 26.532 1.882 1.693 1.00 44.13 S ATOM 1194 CE MET A 77 27.569 1.868 3.153 1.00 11.24 C ATOM 0 H MET A 77 29.808 6.368 1.814 1.00 22.13 H new ATOM 0 HA MET A 77 28.431 5.320 -0.551 1.00 73.13 H new ATOM 0 HB2 MET A 77 28.812 3.269 0.573 1.00 43.13 H new ATOM 0 HB3 MET A 77 28.595 3.986 2.158 1.00 43.13 H new ATOM 0 HG2 MET A 77 26.194 4.252 1.759 1.00 23.11 H new ATOM 0 HG3 MET A 77 26.370 3.675 0.114 1.00 23.11 H new ATOM 0 HE1 MET A 77 27.173 1.153 3.874 1.00 11.24 H new ATOM 0 HE2 MET A 77 28.583 1.580 2.876 1.00 11.24 H new ATOM 0 HE3 MET A 77 27.583 2.863 3.599 1.00 11.24 H new ATOM 1204 N SER A 78 26.493 6.723 0.070 1.00 15.15 N ATOM 1205 CA SER A 78 25.401 7.638 0.380 1.00 14.45 C ATOM 1206 C SER A 78 24.051 7.003 0.058 1.00 3.32 C ATOM 1207 O SER A 78 23.884 6.367 -0.982 1.00 64.32 O ATOM 1208 CB SER A 78 25.563 8.943 -0.402 1.00 12.00 C ATOM 1209 OG SER A 78 24.339 9.335 -1.000 1.00 63.51 O ATOM 0 H SER A 78 26.518 6.409 -0.900 1.00 15.15 H new ATOM 0 HA SER A 78 25.435 7.856 1.447 1.00 14.45 H new ATOM 0 HB2 SER A 78 25.913 9.730 0.266 1.00 12.00 H new ATOM 0 HB3 SER A 78 26.324 8.817 -1.172 1.00 12.00 H new ATOM 0 HG SER A 78 24.469 10.172 -1.492 1.00 63.51 H new ATOM 1215 N VAL A 79 23.090 7.181 0.959 1.00 2.41 N ATOM 1216 CA VAL A 79 21.755 6.627 0.772 1.00 54.51 C ATOM 1217 C VAL A 79 20.709 7.733 0.684 1.00 74.04 C ATOM 1218 O VAL A 79 20.531 8.510 1.622 1.00 71.13 O ATOM 1219 CB VAL A 79 21.378 5.670 1.918 1.00 3.02 C ATOM 1220 CG1 VAL A 79 19.989 5.092 1.697 1.00 13.20 C ATOM 1221 CG2 VAL A 79 22.412 4.561 2.046 1.00 14.05 C ATOM 0 H VAL A 79 23.212 7.705 1.826 1.00 2.41 H new ATOM 0 HA VAL A 79 21.772 6.070 -0.165 1.00 54.51 H new ATOM 0 HB VAL A 79 21.365 6.234 2.850 1.00 3.02 H new ATOM 0 HG11 VAL A 79 19.741 4.418 2.517 1.00 13.20 H new ATOM 0 HG12 VAL A 79 19.260 5.901 1.659 1.00 13.20 H new ATOM 0 HG13 VAL A 79 19.969 4.541 0.756 1.00 13.20 H new ATOM 0 HG21 VAL A 79 22.131 3.893 2.860 1.00 14.05 H new ATOM 0 HG22 VAL A 79 22.458 3.997 1.114 1.00 14.05 H new ATOM 0 HG23 VAL A 79 23.389 4.997 2.255 1.00 14.05 H new ATOM 1231 N SER A 80 20.018 7.797 -0.450 1.00 52.42 N ATOM 1232 CA SER A 80 18.991 8.810 -0.663 1.00 54.30 C ATOM 1233 C SER A 80 17.617 8.166 -0.823 1.00 21.20 C ATOM 1234 O SER A 80 17.386 7.393 -1.753 1.00 54.23 O ATOM 1235 CB SER A 80 19.320 9.649 -1.899 1.00 40.23 C ATOM 1236 OG SER A 80 19.430 8.835 -3.054 1.00 24.34 O ATOM 0 H SER A 80 20.151 7.159 -1.235 1.00 52.42 H new ATOM 0 HA SER A 80 18.969 9.459 0.213 1.00 54.30 H new ATOM 0 HB2 SER A 80 18.543 10.398 -2.051 1.00 40.23 H new ATOM 0 HB3 SER A 80 20.254 10.187 -1.739 1.00 40.23 H new ATOM 0 HG SER A 80 18.758 8.123 -3.017 1.00 24.34 H new ATOM 1242 N PHE A 81 16.709 8.489 0.091 1.00 14.34 N ATOM 1243 CA PHE A 81 15.357 7.942 0.054 1.00 65.03 C ATOM 1244 C PHE A 81 14.325 9.019 0.376 1.00 63.32 C ATOM 1245 O PHE A 81 14.610 9.969 1.104 1.00 25.04 O ATOM 1246 CB PHE A 81 15.227 6.782 1.043 1.00 74.01 C ATOM 1247 CG PHE A 81 15.837 7.067 2.385 1.00 14.34 C ATOM 1248 CD1 PHE A 81 15.289 8.028 3.220 1.00 40.52 C ATOM 1249 CD2 PHE A 81 16.957 6.374 2.813 1.00 23.04 C ATOM 1250 CE1 PHE A 81 15.849 8.293 4.455 1.00 10.42 C ATOM 1251 CE2 PHE A 81 17.521 6.634 4.048 1.00 4.31 C ATOM 1252 CZ PHE A 81 16.966 7.595 4.870 1.00 33.45 C ATOM 0 H PHE A 81 16.884 9.127 0.867 1.00 14.34 H new ATOM 0 HA PHE A 81 15.168 7.574 -0.954 1.00 65.03 H new ATOM 0 HB2 PHE A 81 14.171 6.545 1.176 1.00 74.01 H new ATOM 0 HB3 PHE A 81 15.701 5.898 0.618 1.00 74.01 H new ATOM 0 HD1 PHE A 81 14.414 8.576 2.902 1.00 40.52 H new ATOM 0 HD2 PHE A 81 17.395 5.621 2.174 1.00 23.04 H new ATOM 0 HE1 PHE A 81 15.413 9.046 5.095 1.00 10.42 H new ATOM 0 HE2 PHE A 81 18.395 6.086 4.370 1.00 4.31 H new ATOM 0 HZ PHE A 81 17.405 7.800 5.835 1.00 33.45 H new ATOM 1262 N SER A 82 13.125 8.862 -0.173 1.00 50.54 N ATOM 1263 CA SER A 82 12.051 9.823 0.051 1.00 31.21 C ATOM 1264 C SER A 82 11.158 9.379 1.206 1.00 71.03 C ATOM 1265 O SER A 82 11.288 8.265 1.713 1.00 70.32 O ATOM 1266 CB SER A 82 11.215 9.991 -1.219 1.00 42.33 C ATOM 1267 OG SER A 82 10.355 11.113 -1.118 1.00 75.45 O ATOM 0 H SER A 82 12.872 8.079 -0.776 1.00 50.54 H new ATOM 0 HA SER A 82 12.502 10.781 0.310 1.00 31.21 H new ATOM 0 HB2 SER A 82 11.874 10.110 -2.079 1.00 42.33 H new ATOM 0 HB3 SER A 82 10.625 9.091 -1.392 1.00 42.33 H new ATOM 0 HG SER A 82 9.833 11.200 -1.943 1.00 75.45 H new ATOM 1273 N ASP A 83 10.251 10.259 1.616 1.00 43.00 N ATOM 1274 CA ASP A 83 9.335 9.959 2.710 1.00 11.11 C ATOM 1275 C ASP A 83 9.052 8.462 2.788 1.00 45.05 C ATOM 1276 O ASP A 83 8.232 7.936 2.035 1.00 20.32 O ATOM 1277 CB ASP A 83 8.026 10.729 2.533 1.00 55.34 C ATOM 1278 CG ASP A 83 8.252 12.211 2.306 1.00 54.13 C ATOM 1279 OD1 ASP A 83 9.272 12.737 2.796 1.00 65.01 O ATOM 1280 OD2 ASP A 83 7.407 12.845 1.639 1.00 41.23 O ATOM 0 H ASP A 83 10.131 11.186 1.207 1.00 43.00 H new ATOM 0 HA ASP A 83 9.808 10.270 3.642 1.00 11.11 H new ATOM 0 HB2 ASP A 83 7.476 10.315 1.688 1.00 55.34 H new ATOM 0 HB3 ASP A 83 7.404 10.591 3.417 1.00 55.34 H new ATOM 1285 N ILE A 84 9.738 7.782 3.701 1.00 51.34 N ATOM 1286 CA ILE A 84 9.560 6.346 3.876 1.00 44.24 C ATOM 1287 C ILE A 84 9.172 6.011 5.312 1.00 42.32 C ATOM 1288 O ILE A 84 9.222 6.868 6.195 1.00 24.50 O ATOM 1289 CB ILE A 84 10.840 5.572 3.508 1.00 73.24 C ATOM 1290 CG1 ILE A 84 12.063 6.231 4.148 1.00 20.11 C ATOM 1291 CG2 ILE A 84 11.000 5.501 1.996 1.00 12.13 C ATOM 1292 CD1 ILE A 84 13.203 5.270 4.403 1.00 31.25 C ATOM 0 H ILE A 84 10.422 8.202 4.330 1.00 51.34 H new ATOM 0 HA ILE A 84 8.756 6.043 3.205 1.00 44.24 H new ATOM 0 HB ILE A 84 10.755 4.556 3.893 1.00 73.24 H new ATOM 0 HG12 ILE A 84 12.414 7.034 3.500 1.00 20.11 H new ATOM 0 HG13 ILE A 84 11.767 6.689 5.092 1.00 20.11 H new ATOM 0 HG21 ILE A 84 11.909 4.951 1.752 1.00 12.13 H new ATOM 0 HG22 ILE A 84 10.140 4.991 1.563 1.00 12.13 H new ATOM 0 HG23 ILE A 84 11.066 6.510 1.589 1.00 12.13 H new ATOM 0 HD11 ILE A 84 14.036 5.806 4.858 1.00 31.25 H new ATOM 0 HD12 ILE A 84 12.869 4.480 5.076 1.00 31.25 H new ATOM 0 HD13 ILE A 84 13.526 4.830 3.459 1.00 31.25 H new ATOM 1304 N ASP A 85 8.787 4.760 5.538 1.00 1.32 N ATOM 1305 CA ASP A 85 8.393 4.310 6.868 1.00 0.32 C ATOM 1306 C ASP A 85 9.619 4.006 7.724 1.00 35.30 C ATOM 1307 O ASP A 85 10.687 3.686 7.203 1.00 14.42 O ATOM 1308 CB ASP A 85 7.504 3.069 6.768 1.00 45.53 C ATOM 1309 CG ASP A 85 6.368 3.250 5.781 1.00 61.45 C ATOM 1310 OD1 ASP A 85 6.625 3.181 4.560 1.00 23.22 O ATOM 1311 OD2 ASP A 85 5.221 3.458 6.228 1.00 4.42 O ATOM 0 H ASP A 85 8.739 4.039 4.818 1.00 1.32 H new ATOM 0 HA ASP A 85 7.830 5.113 7.344 1.00 0.32 H new ATOM 0 HB2 ASP A 85 8.110 2.214 6.467 1.00 45.53 H new ATOM 0 HB3 ASP A 85 7.094 2.839 7.751 1.00 45.53 H new ATOM 1316 N GLU A 86 9.456 4.108 9.039 1.00 32.05 N ATOM 1317 CA GLU A 86 10.550 3.845 9.967 1.00 42.04 C ATOM 1318 C GLU A 86 10.916 2.363 9.971 1.00 54.52 C ATOM 1319 O GLU A 86 12.048 1.994 10.278 1.00 31.32 O ATOM 1320 CB GLU A 86 10.169 4.292 11.380 1.00 64.33 C ATOM 1321 CG GLU A 86 8.868 3.687 11.879 1.00 30.02 C ATOM 1322 CD GLU A 86 8.703 3.816 13.381 1.00 24.00 C ATOM 1323 OE1 GLU A 86 9.628 3.411 14.117 1.00 55.33 O ATOM 1324 OE2 GLU A 86 7.650 4.322 13.820 1.00 15.33 O ATOM 0 H GLU A 86 8.578 4.371 9.486 1.00 32.05 H new ATOM 0 HA GLU A 86 11.418 4.415 9.636 1.00 42.04 H new ATOM 0 HB2 GLU A 86 10.972 4.023 12.066 1.00 64.33 H new ATOM 0 HB3 GLU A 86 10.085 5.379 11.398 1.00 64.33 H new ATOM 0 HG2 GLU A 86 8.030 4.176 11.382 1.00 30.02 H new ATOM 0 HG3 GLU A 86 8.832 2.633 11.602 1.00 30.02 H new ATOM 1331 N ASN A 87 9.947 1.520 9.628 1.00 42.23 N ATOM 1332 CA ASN A 87 10.166 0.079 9.593 1.00 72.31 C ATOM 1333 C ASN A 87 11.284 -0.279 8.618 1.00 55.42 C ATOM 1334 O ASN A 87 12.204 -1.021 8.958 1.00 0.03 O ATOM 1335 CB ASN A 87 8.877 -0.644 9.196 1.00 60.12 C ATOM 1336 CG ASN A 87 7.924 -0.810 10.364 1.00 61.32 C ATOM 1337 OD1 ASN A 87 7.053 0.029 10.593 1.00 4.33 O ATOM 1338 ND2 ASN A 87 8.086 -1.898 11.109 1.00 55.33 N ATOM 0 H ASN A 87 9.004 1.810 9.371 1.00 42.23 H new ATOM 0 HA ASN A 87 10.463 -0.242 10.591 1.00 72.31 H new ATOM 0 HB2 ASN A 87 8.381 -0.086 8.402 1.00 60.12 H new ATOM 0 HB3 ASN A 87 9.124 -1.625 8.790 1.00 60.12 H new ATOM 0 HD21 ASN A 87 7.475 -2.065 11.908 1.00 55.33 H new ATOM 0 HD22 ASN A 87 8.822 -2.567 10.882 1.00 55.33 H new ATOM 1345 N MET A 88 11.196 0.256 7.404 1.00 32.22 N ATOM 1346 CA MET A 88 12.201 -0.005 6.380 1.00 32.22 C ATOM 1347 C MET A 88 13.467 0.803 6.643 1.00 43.31 C ATOM 1348 O MET A 88 14.575 0.354 6.350 1.00 64.31 O ATOM 1349 CB MET A 88 11.646 0.329 4.994 1.00 4.41 C ATOM 1350 CG MET A 88 11.137 1.756 4.872 1.00 53.23 C ATOM 1351 SD MET A 88 9.865 1.933 3.606 1.00 15.13 S ATOM 1352 CE MET A 88 10.609 1.033 2.249 1.00 24.50 C ATOM 0 H MET A 88 10.440 0.872 7.106 1.00 32.22 H new ATOM 0 HA MET A 88 12.454 -1.065 6.416 1.00 32.22 H new ATOM 0 HB2 MET A 88 12.426 0.165 4.250 1.00 4.41 H new ATOM 0 HB3 MET A 88 10.833 -0.359 4.761 1.00 4.41 H new ATOM 0 HG2 MET A 88 10.735 2.078 5.833 1.00 53.23 H new ATOM 0 HG3 MET A 88 11.972 2.417 4.638 1.00 53.23 H new ATOM 0 HE1 MET A 88 10.705 1.691 1.385 1.00 24.50 H new ATOM 0 HE2 MET A 88 11.596 0.678 2.546 1.00 24.50 H new ATOM 0 HE3 MET A 88 9.980 0.182 1.989 1.00 24.50 H new ATOM 1362 N LYS A 89 13.296 1.999 7.197 1.00 64.04 N ATOM 1363 CA LYS A 89 14.425 2.871 7.500 1.00 22.40 C ATOM 1364 C LYS A 89 15.480 2.131 8.316 1.00 30.44 C ATOM 1365 O LYS A 89 16.680 2.315 8.112 1.00 21.32 O ATOM 1366 CB LYS A 89 13.949 4.108 8.264 1.00 3.30 C ATOM 1367 CG LYS A 89 15.018 5.176 8.418 1.00 4.14 C ATOM 1368 CD LYS A 89 14.415 6.571 8.436 1.00 63.41 C ATOM 1369 CE LYS A 89 13.676 6.842 9.737 1.00 30.12 C ATOM 1370 NZ LYS A 89 13.450 8.298 9.954 1.00 72.24 N ATOM 0 H LYS A 89 12.386 2.387 7.445 1.00 64.04 H new ATOM 0 HA LYS A 89 14.874 3.184 6.557 1.00 22.40 H new ATOM 0 HB2 LYS A 89 13.091 4.537 7.746 1.00 3.30 H new ATOM 0 HB3 LYS A 89 13.606 3.804 9.253 1.00 3.30 H new ATOM 0 HG2 LYS A 89 15.572 5.007 9.341 1.00 4.14 H new ATOM 0 HG3 LYS A 89 15.732 5.098 7.598 1.00 4.14 H new ATOM 0 HD2 LYS A 89 15.204 7.311 8.304 1.00 63.41 H new ATOM 0 HD3 LYS A 89 13.729 6.683 7.596 1.00 63.41 H new ATOM 0 HE2 LYS A 89 12.717 6.324 9.725 1.00 30.12 H new ATOM 0 HE3 LYS A 89 14.248 6.435 10.571 1.00 30.12 H new ATOM 0 HZ1 LYS A 89 12.944 8.441 10.851 1.00 72.24 H new ATOM 0 HZ2 LYS A 89 14.366 8.790 9.991 1.00 72.24 H new ATOM 0 HZ3 LYS A 89 12.883 8.682 9.171 1.00 72.24 H new ATOM 1384 N LYS A 90 15.025 1.292 9.241 1.00 71.21 N ATOM 1385 CA LYS A 90 15.929 0.521 10.087 1.00 54.23 C ATOM 1386 C LYS A 90 16.838 -0.367 9.244 1.00 42.13 C ATOM 1387 O LYS A 90 18.011 -0.556 9.567 1.00 50.00 O ATOM 1388 CB LYS A 90 15.131 -0.337 11.072 1.00 41.42 C ATOM 1389 CG LYS A 90 14.570 -1.607 10.456 1.00 3.05 C ATOM 1390 CD LYS A 90 15.525 -2.777 10.625 1.00 43.22 C ATOM 1391 CE LYS A 90 15.283 -3.510 11.935 1.00 31.12 C ATOM 1392 NZ LYS A 90 16.121 -4.736 12.048 1.00 10.21 N ATOM 0 H LYS A 90 14.035 1.129 9.424 1.00 71.21 H new ATOM 0 HA LYS A 90 16.550 1.221 10.645 1.00 54.23 H new ATOM 0 HB2 LYS A 90 15.773 -0.603 11.912 1.00 41.42 H new ATOM 0 HB3 LYS A 90 14.309 0.256 11.474 1.00 41.42 H new ATOM 0 HG2 LYS A 90 13.614 -1.846 10.921 1.00 3.05 H new ATOM 0 HG3 LYS A 90 14.377 -1.444 9.396 1.00 3.05 H new ATOM 0 HD2 LYS A 90 15.404 -3.469 9.792 1.00 43.22 H new ATOM 0 HD3 LYS A 90 16.553 -2.416 10.593 1.00 43.22 H new ATOM 0 HE2 LYS A 90 15.500 -2.843 12.770 1.00 31.12 H new ATOM 0 HE3 LYS A 90 14.230 -3.782 12.010 1.00 31.12 H new ATOM 0 HZ1 LYS A 90 15.927 -5.207 12.955 1.00 10.21 H new ATOM 0 HZ2 LYS A 90 15.896 -5.384 11.266 1.00 10.21 H new ATOM 0 HZ3 LYS A 90 17.127 -4.475 12.002 1.00 10.21 H new ATOM 1406 N VAL A 91 16.290 -0.909 8.161 1.00 43.34 N ATOM 1407 CA VAL A 91 17.053 -1.775 7.270 1.00 42.34 C ATOM 1408 C VAL A 91 18.055 -0.972 6.448 1.00 43.31 C ATOM 1409 O VAL A 91 19.162 -1.436 6.174 1.00 25.12 O ATOM 1410 CB VAL A 91 16.128 -2.552 6.314 1.00 1.32 C ATOM 1411 CG1 VAL A 91 14.750 -2.729 6.932 1.00 33.43 C ATOM 1412 CG2 VAL A 91 16.032 -1.842 4.972 1.00 62.31 C ATOM 0 H VAL A 91 15.320 -0.764 7.880 1.00 43.34 H new ATOM 0 HA VAL A 91 17.589 -2.484 7.901 1.00 42.34 H new ATOM 0 HB VAL A 91 16.555 -3.541 6.146 1.00 1.32 H new ATOM 0 HG11 VAL A 91 14.110 -3.280 6.243 1.00 33.43 H new ATOM 0 HG12 VAL A 91 14.839 -3.283 7.866 1.00 33.43 H new ATOM 0 HG13 VAL A 91 14.312 -1.751 7.131 1.00 33.43 H new ATOM 0 HG21 VAL A 91 15.375 -2.405 4.309 1.00 62.31 H new ATOM 0 HG22 VAL A 91 15.629 -0.840 5.118 1.00 62.31 H new ATOM 0 HG23 VAL A 91 17.024 -1.772 4.526 1.00 62.31 H new ATOM 1422 N ILE A 92 17.660 0.235 6.058 1.00 51.42 N ATOM 1423 CA ILE A 92 18.524 1.104 5.269 1.00 65.14 C ATOM 1424 C ILE A 92 19.725 1.573 6.084 1.00 72.50 C ATOM 1425 O ILE A 92 20.865 1.510 5.624 1.00 40.25 O ATOM 1426 CB ILE A 92 17.760 2.335 4.747 1.00 44.03 C ATOM 1427 CG1 ILE A 92 16.366 1.930 4.263 1.00 4.01 C ATOM 1428 CG2 ILE A 92 18.541 3.007 3.627 1.00 12.41 C ATOM 1429 CD1 ILE A 92 15.662 3.013 3.476 1.00 35.24 C ATOM 0 H ILE A 92 16.747 0.634 6.276 1.00 51.42 H new ATOM 0 HA ILE A 92 18.872 0.516 4.420 1.00 65.14 H new ATOM 0 HB ILE A 92 17.647 3.048 5.564 1.00 44.03 H new ATOM 0 HG12 ILE A 92 16.451 1.038 3.643 1.00 4.01 H new ATOM 0 HG13 ILE A 92 15.754 1.662 5.125 1.00 4.01 H new ATOM 0 HG21 ILE A 92 17.988 3.875 3.268 1.00 12.41 H new ATOM 0 HG22 ILE A 92 19.514 3.325 4.002 1.00 12.41 H new ATOM 0 HG23 ILE A 92 18.681 2.302 2.807 1.00 12.41 H new ATOM 0 HD11 ILE A 92 14.680 2.657 3.165 1.00 35.24 H new ATOM 0 HD12 ILE A 92 15.546 3.899 4.100 1.00 35.24 H new ATOM 0 HD13 ILE A 92 16.252 3.265 2.595 1.00 35.24 H new ATOM 1441 N LYS A 93 19.461 2.041 7.299 1.00 22.42 N ATOM 1442 CA LYS A 93 20.519 2.517 8.182 1.00 1.41 C ATOM 1443 C LYS A 93 21.443 1.375 8.591 1.00 62.34 C ATOM 1444 O LYS A 93 22.664 1.525 8.602 1.00 44.44 O ATOM 1445 CB LYS A 93 19.916 3.170 9.428 1.00 1.11 C ATOM 1446 CG LYS A 93 20.870 4.111 10.144 1.00 72.02 C ATOM 1447 CD LYS A 93 20.131 5.275 10.782 1.00 54.22 C ATOM 1448 CE LYS A 93 19.244 4.812 11.928 1.00 64.12 C ATOM 1449 NZ LYS A 93 17.855 4.527 11.474 1.00 12.44 N ATOM 0 H LYS A 93 18.523 2.101 7.695 1.00 22.42 H new ATOM 0 HA LYS A 93 21.105 3.257 7.638 1.00 1.41 H new ATOM 0 HB2 LYS A 93 19.021 3.722 9.141 1.00 1.11 H new ATOM 0 HB3 LYS A 93 19.601 2.390 10.121 1.00 1.11 H new ATOM 0 HG2 LYS A 93 21.417 3.562 10.911 1.00 72.02 H new ATOM 0 HG3 LYS A 93 21.607 4.491 9.437 1.00 72.02 H new ATOM 0 HD2 LYS A 93 20.851 6.006 11.150 1.00 54.22 H new ATOM 0 HD3 LYS A 93 19.523 5.777 10.030 1.00 54.22 H new ATOM 0 HE2 LYS A 93 19.670 3.915 12.378 1.00 64.12 H new ATOM 0 HE3 LYS A 93 19.223 5.578 12.703 1.00 64.12 H new ATOM 0 HZ1 LYS A 93 17.207 4.581 12.285 1.00 12.44 H new ATOM 0 HZ2 LYS A 93 17.573 5.227 10.758 1.00 12.44 H new ATOM 0 HZ3 LYS A 93 17.814 3.574 11.061 1.00 12.44 H new ATOM 1463 N ALA A 94 20.852 0.232 8.924 1.00 0.12 N ATOM 1464 CA ALA A 94 21.623 -0.937 9.330 1.00 53.24 C ATOM 1465 C ALA A 94 22.504 -1.436 8.189 1.00 34.13 C ATOM 1466 O ALA A 94 23.631 -1.879 8.410 1.00 63.24 O ATOM 1467 CB ALA A 94 20.693 -2.044 9.804 1.00 13.52 C ATOM 0 H ALA A 94 19.842 0.091 8.921 1.00 0.12 H new ATOM 0 HA ALA A 94 22.272 -0.645 10.155 1.00 53.24 H new ATOM 0 HB1 ALA A 94 21.282 -2.911 10.104 1.00 13.52 H new ATOM 0 HB2 ALA A 94 20.110 -1.690 10.654 1.00 13.52 H new ATOM 0 HB3 ALA A 94 20.020 -2.326 8.994 1.00 13.52 H new ATOM 1473 N THR A 95 21.982 -1.362 6.969 1.00 71.43 N ATOM 1474 CA THR A 95 22.720 -1.809 5.794 1.00 50.42 C ATOM 1475 C THR A 95 23.924 -0.912 5.527 1.00 14.14 C ATOM 1476 O THR A 95 25.024 -1.396 5.263 1.00 13.02 O ATOM 1477 CB THR A 95 21.823 -1.830 4.542 1.00 61.23 C ATOM 1478 OG1 THR A 95 20.813 -2.836 4.680 1.00 65.24 O ATOM 1479 CG2 THR A 95 22.646 -2.099 3.291 1.00 3.20 C ATOM 0 H THR A 95 21.051 -0.997 6.769 1.00 71.43 H new ATOM 0 HA THR A 95 23.064 -2.822 6.003 1.00 50.42 H new ATOM 0 HB THR A 95 21.351 -0.852 4.444 1.00 61.23 H new ATOM 0 HG1 THR A 95 21.183 -3.708 4.426 1.00 65.24 H new ATOM 0 HG21 THR A 95 21.991 -2.109 2.420 1.00 3.20 H new ATOM 0 HG22 THR A 95 23.395 -1.316 3.173 1.00 3.20 H new ATOM 0 HG23 THR A 95 23.143 -3.065 3.383 1.00 3.20 H new ATOM 1487 N ALA A 96 23.708 0.397 5.599 1.00 14.53 N ATOM 1488 CA ALA A 96 24.776 1.362 5.368 1.00 20.25 C ATOM 1489 C ALA A 96 25.827 1.291 6.471 1.00 12.33 C ATOM 1490 O ALA A 96 27.025 1.236 6.196 1.00 11.23 O ATOM 1491 CB ALA A 96 24.205 2.769 5.270 1.00 60.40 C ATOM 0 H ALA A 96 22.803 0.814 5.816 1.00 14.53 H new ATOM 0 HA ALA A 96 25.260 1.112 4.424 1.00 20.25 H new ATOM 0 HB1 ALA A 96 25.014 3.479 5.097 1.00 60.40 H new ATOM 0 HB2 ALA A 96 23.497 2.818 4.443 1.00 60.40 H new ATOM 0 HB3 ALA A 96 23.694 3.020 6.200 1.00 60.40 H new ATOM 1497 N GLU A 97 25.369 1.294 7.720 1.00 43.35 N ATOM 1498 CA GLU A 97 26.272 1.232 8.863 1.00 14.33 C ATOM 1499 C GLU A 97 27.040 -0.086 8.879 1.00 2.01 C ATOM 1500 O GLU A 97 28.188 -0.144 9.321 1.00 12.22 O ATOM 1501 CB GLU A 97 25.489 1.395 10.168 1.00 71.40 C ATOM 1502 CG GLU A 97 24.875 0.100 10.674 1.00 13.33 C ATOM 1503 CD GLU A 97 25.834 -0.706 11.528 1.00 63.24 C ATOM 1504 OE1 GLU A 97 26.563 -0.096 12.338 1.00 31.00 O ATOM 1505 OE2 GLU A 97 25.857 -1.946 11.385 1.00 62.40 O ATOM 0 H GLU A 97 24.380 1.339 7.965 1.00 43.35 H new ATOM 0 HA GLU A 97 26.989 2.048 8.773 1.00 14.33 H new ATOM 0 HB2 GLU A 97 26.154 1.796 10.933 1.00 71.40 H new ATOM 0 HB3 GLU A 97 24.697 2.129 10.018 1.00 71.40 H new ATOM 0 HG2 GLU A 97 23.982 0.329 11.255 1.00 13.33 H new ATOM 0 HG3 GLU A 97 24.557 -0.503 9.824 1.00 13.33 H new ATOM 1512 N LYS A 98 26.399 -1.144 8.394 1.00 51.31 N ATOM 1513 CA LYS A 98 27.020 -2.462 8.350 1.00 20.15 C ATOM 1514 C LYS A 98 28.329 -2.421 7.569 1.00 24.32 C ATOM 1515 O LYS A 98 29.310 -3.063 7.947 1.00 33.12 O ATOM 1516 CB LYS A 98 26.067 -3.477 7.716 1.00 74.12 C ATOM 1517 CG LYS A 98 26.658 -4.870 7.588 1.00 23.10 C ATOM 1518 CD LYS A 98 26.082 -5.818 8.626 1.00 31.22 C ATOM 1519 CE LYS A 98 26.614 -7.232 8.446 1.00 13.23 C ATOM 1520 NZ LYS A 98 28.055 -7.332 8.806 1.00 23.10 N ATOM 0 H LYS A 98 25.448 -1.114 8.025 1.00 51.31 H new ATOM 0 HA LYS A 98 27.238 -2.768 9.373 1.00 20.15 H new ATOM 0 HB2 LYS A 98 25.157 -3.531 8.314 1.00 74.12 H new ATOM 0 HB3 LYS A 98 25.778 -3.122 6.727 1.00 74.12 H new ATOM 0 HG2 LYS A 98 26.461 -5.259 6.589 1.00 23.10 H new ATOM 0 HG3 LYS A 98 27.741 -4.819 7.702 1.00 23.10 H new ATOM 0 HD2 LYS A 98 26.330 -5.459 9.625 1.00 31.22 H new ATOM 0 HD3 LYS A 98 24.995 -5.825 8.550 1.00 31.22 H new ATOM 0 HE2 LYS A 98 26.037 -7.919 9.065 1.00 13.23 H new ATOM 0 HE3 LYS A 98 26.476 -7.543 7.410 1.00 13.23 H new ATOM 0 HZ1 LYS A 98 28.607 -7.585 7.962 1.00 23.10 H new ATOM 0 HZ2 LYS A 98 28.385 -6.417 9.174 1.00 23.10 H new ATOM 0 HZ3 LYS A 98 28.181 -8.064 9.534 1.00 23.10 H new ATOM 1534 N PHE A 99 28.339 -1.662 6.479 1.00 41.23 N ATOM 1535 CA PHE A 99 29.529 -1.537 5.645 1.00 54.14 C ATOM 1536 C PHE A 99 30.670 -0.884 6.419 1.00 20.51 C ATOM 1537 O PHE A 99 31.842 -1.181 6.188 1.00 64.12 O ATOM 1538 CB PHE A 99 29.215 -0.718 4.391 1.00 74.12 C ATOM 1539 CG PHE A 99 28.688 -1.544 3.252 1.00 44.22 C ATOM 1540 CD1 PHE A 99 29.481 -2.512 2.657 1.00 34.50 C ATOM 1541 CD2 PHE A 99 27.402 -1.351 2.775 1.00 14.25 C ATOM 1542 CE1 PHE A 99 28.999 -3.274 1.609 1.00 64.31 C ATOM 1543 CE2 PHE A 99 26.915 -2.110 1.728 1.00 12.21 C ATOM 1544 CZ PHE A 99 27.715 -3.072 1.143 1.00 0.13 C ATOM 0 H PHE A 99 27.537 -1.124 6.152 1.00 41.23 H new ATOM 0 HA PHE A 99 29.841 -2.539 5.349 1.00 54.14 H new ATOM 0 HB2 PHE A 99 28.483 0.050 4.642 1.00 74.12 H new ATOM 0 HB3 PHE A 99 30.119 -0.202 4.068 1.00 74.12 H new ATOM 0 HD1 PHE A 99 30.487 -2.673 3.016 1.00 34.50 H new ATOM 0 HD2 PHE A 99 26.773 -0.599 3.227 1.00 14.25 H new ATOM 0 HE1 PHE A 99 29.626 -4.027 1.155 1.00 64.31 H new ATOM 0 HE2 PHE A 99 25.909 -1.951 1.367 1.00 12.21 H new ATOM 0 HZ PHE A 99 27.337 -3.665 0.323 1.00 0.13 H new ATOM 1554 N LYS A 100 30.319 0.007 7.340 1.00 74.22 N ATOM 1555 CA LYS A 100 31.311 0.702 8.150 1.00 3.23 C ATOM 1556 C LYS A 100 32.142 -0.288 8.961 1.00 42.53 C ATOM 1557 O LYS A 100 33.302 -0.026 9.276 1.00 63.23 O ATOM 1558 CB LYS A 100 30.626 1.698 9.089 1.00 3.10 C ATOM 1559 CG LYS A 100 31.255 3.081 9.072 1.00 35.10 C ATOM 1560 CD LYS A 100 32.719 3.033 9.474 1.00 61.02 C ATOM 1561 CE LYS A 100 32.885 2.623 10.929 1.00 33.02 C ATOM 1562 NZ LYS A 100 34.011 3.344 11.584 1.00 64.23 N ATOM 0 H LYS A 100 29.353 0.265 7.544 1.00 74.22 H new ATOM 0 HA LYS A 100 31.977 1.244 7.478 1.00 3.23 H new ATOM 0 HB2 LYS A 100 29.575 1.782 8.812 1.00 3.10 H new ATOM 0 HB3 LYS A 100 30.657 1.306 10.106 1.00 3.10 H new ATOM 0 HG2 LYS A 100 31.165 3.510 8.074 1.00 35.10 H new ATOM 0 HG3 LYS A 100 30.711 3.737 9.752 1.00 35.10 H new ATOM 0 HD2 LYS A 100 33.250 2.329 8.834 1.00 61.02 H new ATOM 0 HD3 LYS A 100 33.173 4.012 9.317 1.00 61.02 H new ATOM 0 HE2 LYS A 100 31.961 2.825 11.471 1.00 33.02 H new ATOM 0 HE3 LYS A 100 33.060 1.549 10.986 1.00 33.02 H new ATOM 0 HZ1 LYS A 100 34.091 3.036 12.574 1.00 64.23 H new ATOM 0 HZ2 LYS A 100 34.897 3.132 11.083 1.00 64.23 H new ATOM 0 HZ3 LYS A 100 33.832 4.368 11.553 1.00 64.23 H new ATOM 1576 N ASN A 101 31.541 -1.425 9.294 1.00 73.05 N ATOM 1577 CA ASN A 101 32.226 -2.454 10.067 1.00 63.45 C ATOM 1578 C ASN A 101 33.430 -2.997 9.302 1.00 20.24 C ATOM 1579 O ASN A 101 34.305 -3.644 9.878 1.00 21.13 O ATOM 1580 CB ASN A 101 31.264 -3.596 10.402 1.00 51.43 C ATOM 1581 CG ASN A 101 30.080 -3.130 11.227 1.00 53.24 C ATOM 1582 OD1 ASN A 101 29.933 -1.940 11.506 1.00 41.22 O ATOM 1583 ND2 ASN A 101 29.228 -4.069 11.621 1.00 13.01 N ATOM 0 H ASN A 101 30.581 -1.657 9.041 1.00 73.05 H new ATOM 0 HA ASN A 101 32.579 -2.002 10.994 1.00 63.45 H new ATOM 0 HB2 ASN A 101 30.904 -4.048 9.477 1.00 51.43 H new ATOM 0 HB3 ASN A 101 31.801 -4.372 10.948 1.00 51.43 H new ATOM 0 HD21 ASN A 101 28.412 -3.816 12.178 1.00 13.01 H new ATOM 0 HD22 ASN A 101 29.389 -5.043 11.366 1.00 13.01 H new ATOM 1590 N LYS A 102 33.468 -2.729 8.002 1.00 42.14 N ATOM 1591 CA LYS A 102 34.565 -3.188 7.157 1.00 14.31 C ATOM 1592 C LYS A 102 35.547 -2.055 6.878 1.00 50.24 C ATOM 1593 O LYS A 102 36.624 -2.276 6.327 1.00 65.33 O ATOM 1594 CB LYS A 102 34.022 -3.743 5.838 1.00 31.34 C ATOM 1595 CG LYS A 102 34.344 -5.211 5.618 1.00 30.35 C ATOM 1596 CD LYS A 102 34.094 -5.627 4.179 1.00 63.35 C ATOM 1597 CE LYS A 102 35.399 -5.831 3.423 1.00 54.41 C ATOM 1598 NZ LYS A 102 35.290 -6.919 2.413 1.00 64.15 N ATOM 0 H LYS A 102 32.751 -2.196 7.509 1.00 42.14 H new ATOM 0 HA LYS A 102 35.093 -3.980 7.688 1.00 14.31 H new ATOM 0 HB2 LYS A 102 32.940 -3.609 5.815 1.00 31.34 H new ATOM 0 HB3 LYS A 102 34.433 -3.162 5.012 1.00 31.34 H new ATOM 0 HG2 LYS A 102 35.386 -5.398 5.876 1.00 30.35 H new ATOM 0 HG3 LYS A 102 33.736 -5.822 6.285 1.00 30.35 H new ATOM 0 HD2 LYS A 102 33.514 -6.550 4.161 1.00 63.35 H new ATOM 0 HD3 LYS A 102 33.497 -4.865 3.677 1.00 63.35 H new ATOM 0 HE2 LYS A 102 35.681 -4.902 2.927 1.00 54.41 H new ATOM 0 HE3 LYS A 102 36.194 -6.069 4.129 1.00 54.41 H new ATOM 0 HZ1 LYS A 102 36.199 -7.027 1.920 1.00 64.15 H new ATOM 0 HZ2 LYS A 102 35.046 -7.811 2.889 1.00 64.15 H new ATOM 0 HZ3 LYS A 102 34.548 -6.680 1.724 1.00 64.15 H new ATOM 1612 N GLY A 103 35.168 -0.840 7.263 1.00 52.13 N ATOM 1613 CA GLY A 103 36.027 0.309 7.046 1.00 25.01 C ATOM 1614 C GLY A 103 35.587 1.147 5.862 1.00 4.45 C ATOM 1615 O GLY A 103 36.217 1.121 4.805 1.00 24.20 O ATOM 0 H GLY A 103 34.281 -0.631 7.721 1.00 52.13 H new ATOM 0 HA2 GLY A 103 36.034 0.928 7.943 1.00 25.01 H new ATOM 0 HA3 GLY A 103 37.050 -0.031 6.886 1.00 25.01 H new ATOM 1619 N PHE A 104 34.502 1.893 6.039 1.00 53.23 N ATOM 1620 CA PHE A 104 33.976 2.741 4.975 1.00 10.43 C ATOM 1621 C PHE A 104 33.209 3.927 5.554 1.00 32.41 C ATOM 1622 O PHE A 104 32.977 4.002 6.761 1.00 24.10 O ATOM 1623 CB PHE A 104 33.064 1.931 4.051 1.00 2.25 C ATOM 1624 CG PHE A 104 33.801 0.928 3.211 1.00 21.22 C ATOM 1625 CD1 PHE A 104 34.290 1.276 1.962 1.00 1.14 C ATOM 1626 CD2 PHE A 104 34.005 -0.363 3.670 1.00 24.42 C ATOM 1627 CE1 PHE A 104 34.968 0.354 1.187 1.00 51.50 C ATOM 1628 CE2 PHE A 104 34.683 -1.289 2.899 1.00 32.33 C ATOM 1629 CZ PHE A 104 35.166 -0.929 1.656 1.00 34.44 C ATOM 0 H PHE A 104 33.970 1.928 6.908 1.00 53.23 H new ATOM 0 HA PHE A 104 34.819 3.122 4.398 1.00 10.43 H new ATOM 0 HB2 PHE A 104 32.319 1.411 4.653 1.00 2.25 H new ATOM 0 HB3 PHE A 104 32.524 2.615 3.396 1.00 2.25 H new ATOM 0 HD1 PHE A 104 34.140 2.279 1.590 1.00 1.14 H new ATOM 0 HD2 PHE A 104 33.630 -0.650 4.641 1.00 24.42 H new ATOM 0 HE1 PHE A 104 35.343 0.637 0.215 1.00 51.50 H new ATOM 0 HE2 PHE A 104 34.835 -2.293 3.268 1.00 32.33 H new ATOM 0 HZ PHE A 104 35.697 -1.650 1.052 1.00 34.44 H new ATOM 1639 N LYS A 105 32.817 4.852 4.684 1.00 30.45 N ATOM 1640 CA LYS A 105 32.075 6.034 5.106 1.00 22.24 C ATOM 1641 C LYS A 105 30.597 5.903 4.754 1.00 51.11 C ATOM 1642 O LYS A 105 30.246 5.526 3.636 1.00 50.33 O ATOM 1643 CB LYS A 105 32.658 7.288 4.451 1.00 71.35 C ATOM 1644 CG LYS A 105 31.795 8.525 4.630 1.00 22.11 C ATOM 1645 CD LYS A 105 31.632 8.882 6.098 1.00 54.31 C ATOM 1646 CE LYS A 105 32.925 9.423 6.687 1.00 23.15 C ATOM 1647 NZ LYS A 105 33.336 10.702 6.045 1.00 15.33 N ATOM 0 H LYS A 105 33.001 4.806 3.682 1.00 30.45 H new ATOM 0 HA LYS A 105 32.166 6.122 6.189 1.00 22.24 H new ATOM 0 HB2 LYS A 105 33.646 7.481 4.870 1.00 71.35 H new ATOM 0 HB3 LYS A 105 32.794 7.101 3.386 1.00 71.35 H new ATOM 0 HG2 LYS A 105 32.244 9.364 4.098 1.00 22.11 H new ATOM 0 HG3 LYS A 105 30.815 8.354 4.185 1.00 22.11 H new ATOM 0 HD2 LYS A 105 30.842 9.625 6.207 1.00 54.31 H new ATOM 0 HD3 LYS A 105 31.318 7.999 6.655 1.00 54.31 H new ATOM 0 HE2 LYS A 105 32.798 9.579 7.758 1.00 23.15 H new ATOM 0 HE3 LYS A 105 33.717 8.684 6.564 1.00 23.15 H new ATOM 0 HZ1 LYS A 105 34.024 11.190 6.653 1.00 15.33 H new ATOM 0 HZ2 LYS A 105 33.770 10.503 5.121 1.00 15.33 H new ATOM 0 HZ3 LYS A 105 32.501 11.308 5.912 1.00 15.33 H new ATOM 1661 N VAL A 106 29.734 6.218 5.715 1.00 51.24 N ATOM 1662 CA VAL A 106 28.293 6.138 5.505 1.00 43.54 C ATOM 1663 C VAL A 106 27.646 7.515 5.605 1.00 2.22 C ATOM 1664 O VAL A 106 27.842 8.233 6.585 1.00 45.41 O ATOM 1665 CB VAL A 106 27.629 5.195 6.525 1.00 53.13 C ATOM 1666 CG1 VAL A 106 26.133 5.096 6.265 1.00 23.12 C ATOM 1667 CG2 VAL A 106 28.278 3.820 6.480 1.00 3.33 C ATOM 0 H VAL A 106 30.008 6.531 6.646 1.00 51.24 H new ATOM 0 HA VAL A 106 28.141 5.740 4.502 1.00 43.54 H new ATOM 0 HB VAL A 106 27.774 5.608 7.523 1.00 53.13 H new ATOM 0 HG11 VAL A 106 25.680 4.425 6.995 1.00 23.12 H new ATOM 0 HG12 VAL A 106 25.682 6.085 6.352 1.00 23.12 H new ATOM 0 HG13 VAL A 106 25.963 4.707 5.261 1.00 23.12 H new ATOM 0 HG21 VAL A 106 27.796 3.166 7.207 1.00 3.33 H new ATOM 0 HG22 VAL A 106 28.166 3.397 5.482 1.00 3.33 H new ATOM 0 HG23 VAL A 106 29.338 3.910 6.719 1.00 3.33 H new ATOM 1677 N GLU A 107 26.874 7.876 4.585 1.00 34.03 N ATOM 1678 CA GLU A 107 26.198 9.168 4.560 1.00 74.34 C ATOM 1679 C GLU A 107 24.713 8.999 4.248 1.00 23.13 C ATOM 1680 O GLU A 107 24.330 8.169 3.423 1.00 41.22 O ATOM 1681 CB GLU A 107 26.846 10.087 3.523 1.00 41.15 C ATOM 1682 CG GLU A 107 26.100 11.395 3.318 1.00 45.20 C ATOM 1683 CD GLU A 107 26.959 12.460 2.664 1.00 62.04 C ATOM 1684 OE1 GLU A 107 27.524 12.185 1.584 1.00 21.02 O ATOM 1685 OE2 GLU A 107 27.067 13.567 3.230 1.00 13.34 O ATOM 0 H GLU A 107 26.701 7.293 3.766 1.00 34.03 H new ATOM 0 HA GLU A 107 26.296 9.620 5.547 1.00 74.34 H new ATOM 0 HB2 GLU A 107 27.868 10.306 3.832 1.00 41.15 H new ATOM 0 HB3 GLU A 107 26.907 9.560 2.571 1.00 41.15 H new ATOM 0 HG2 GLU A 107 25.220 11.214 2.701 1.00 45.20 H new ATOM 0 HG3 GLU A 107 25.745 11.761 4.281 1.00 45.20 H new ATOM 1692 N THR A 108 23.881 9.792 4.916 1.00 74.21 N ATOM 1693 CA THR A 108 22.439 9.730 4.713 1.00 73.10 C ATOM 1694 C THR A 108 21.897 11.063 4.210 1.00 14.15 C ATOM 1695 O THR A 108 22.222 12.120 4.751 1.00 5.01 O ATOM 1696 CB THR A 108 21.705 9.347 6.012 1.00 74.12 C ATOM 1697 OG1 THR A 108 21.959 10.326 7.025 1.00 20.24 O ATOM 1698 CG2 THR A 108 22.149 7.976 6.500 1.00 13.44 C ATOM 0 H THR A 108 24.181 10.485 5.602 1.00 74.21 H new ATOM 0 HA THR A 108 22.258 8.961 3.962 1.00 73.10 H new ATOM 0 HB THR A 108 20.636 9.311 5.803 1.00 74.12 H new ATOM 0 HG1 THR A 108 22.122 11.196 6.605 1.00 20.24 H new ATOM 0 HG21 THR A 108 21.617 7.727 7.418 1.00 13.44 H new ATOM 0 HG22 THR A 108 21.927 7.229 5.738 1.00 13.44 H new ATOM 0 HG23 THR A 108 23.222 7.989 6.694 1.00 13.44 H new ATOM 1706 N ASP A 109 21.067 11.006 3.174 1.00 5.31 N ATOM 1707 CA ASP A 109 20.478 12.210 2.600 1.00 42.15 C ATOM 1708 C ASP A 109 19.076 11.929 2.069 1.00 32.32 C ATOM 1709 O ASP A 109 18.584 10.804 2.154 1.00 71.12 O ATOM 1710 CB ASP A 109 21.363 12.750 1.475 1.00 2.32 C ATOM 1711 CG ASP A 109 21.329 14.263 1.387 1.00 14.43 C ATOM 1712 OD1 ASP A 109 21.174 14.916 2.441 1.00 24.12 O ATOM 1713 OD2 ASP A 109 21.456 14.795 0.265 1.00 45.11 O ATOM 0 H ASP A 109 20.787 10.139 2.715 1.00 5.31 H new ATOM 0 HA ASP A 109 20.406 12.960 3.388 1.00 42.15 H new ATOM 0 HB2 ASP A 109 22.390 12.421 1.635 1.00 2.32 H new ATOM 0 HB3 ASP A 109 21.037 12.326 0.525 1.00 2.32 H new ATOM 1718 N MET A 110 18.437 12.959 1.523 1.00 23.35 N ATOM 1719 CA MET A 110 17.091 12.822 0.979 1.00 23.44 C ATOM 1720 C MET A 110 17.032 13.326 -0.459 1.00 64.41 C ATOM 1721 O MET A 110 17.487 14.430 -0.760 1.00 15.31 O ATOM 1722 CB MET A 110 16.089 13.590 1.843 1.00 75.44 C ATOM 1723 CG MET A 110 16.203 13.282 3.327 1.00 61.33 C ATOM 1724 SD MET A 110 15.081 14.274 4.331 1.00 62.03 S ATOM 1725 CE MET A 110 15.803 15.902 4.136 1.00 33.20 C ATOM 0 H MET A 110 18.830 13.897 1.446 1.00 23.35 H new ATOM 0 HA MET A 110 16.829 11.764 0.985 1.00 23.44 H new ATOM 0 HB2 MET A 110 16.235 14.659 1.690 1.00 75.44 H new ATOM 0 HB3 MET A 110 15.079 13.355 1.508 1.00 75.44 H new ATOM 0 HG2 MET A 110 15.993 12.225 3.492 1.00 61.33 H new ATOM 0 HG3 MET A 110 17.228 13.458 3.653 1.00 61.33 H new ATOM 0 HE1 MET A 110 15.452 16.554 4.936 1.00 33.20 H new ATOM 0 HE2 MET A 110 16.889 15.826 4.181 1.00 33.20 H new ATOM 0 HE3 MET A 110 15.508 16.318 3.173 1.00 33.20 H new TER 1735 MET A 110