USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 874 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 45 THR OG1 : rot -71:sc= 0.905 USER MOD Set 1.2: A 60 SER OG : rot 180:sc= 0.795 USER MOD Set 2.1: A 20 LYS NZ :NH3+ 149:sc= 1.1 (180deg=-0.406) USER MOD Set 2.2: A 73 ASN : amide:sc= 1 K(o=2.1,f=-11!) USER MOD Single : A 1 MET CE :methyl 163:sc= -0.302 (180deg=-0.952) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.0587 (180deg=-0.219) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 12 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0226) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -21:sc= 0.245 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0.675 K(o=0.68,f=-0.36) USER MOD Single : A 32 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.25) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.334 USER MOD Single : A 42 LYS NZ :NH3+ 159:sc= 1.18 (180deg=0.82) USER MOD Single : A 46 TYR OH : rot 30:sc= -1.78 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= -0.118 (180deg=-0.118) USER MOD Single : A 50 SER OG : rot -59:sc= 1.14 USER MOD Single : A 51 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1) USER MOD Single : A 53 GLN : amide:sc= -0.232 X(o=-0.23,f=0.096) USER MOD Single : A 56 MET CE :methyl -125:sc= -0.582 (180deg=-3.27!) USER MOD Single : A 58 GLN : amide:sc= -2.28 K(o=-2.3,f=-5.4!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 173:sc= 1.2 (180deg=1.03) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.376 K(o=-0.38,f=-1.2) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -86:sc= 1.22 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.15) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.167 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.653 3.110 -39.009 1.00 20.44 N ATOM 2 CA MET A 1 -13.010 2.593 -37.772 1.00 64.42 C ATOM 3 C MET A 1 -13.091 1.060 -37.695 1.00 14.21 C ATOM 4 O MET A 1 -14.155 0.472 -37.894 1.00 30.02 O ATOM 5 CB MET A 1 -13.655 3.229 -36.534 1.00 14.30 C ATOM 6 CG MET A 1 -15.168 3.083 -36.476 1.00 4.44 C ATOM 7 SD MET A 1 -15.886 3.894 -35.034 1.00 71.35 S ATOM 8 CE MET A 1 -15.295 5.575 -35.251 1.00 12.54 C ATOM 0 H1 MET A 1 -13.733 4.145 -38.952 1.00 20.44 H new ATOM 0 H2 MET A 1 -13.075 2.852 -39.834 1.00 20.44 H new ATOM 0 H3 MET A 1 -14.601 2.694 -39.107 1.00 20.44 H new ATOM 0 HA MET A 1 -11.955 2.867 -37.801 1.00 64.42 H new ATOM 0 HB2 MET A 1 -13.223 2.778 -35.641 1.00 14.30 H new ATOM 0 HB3 MET A 1 -13.402 4.289 -36.510 1.00 14.30 H new ATOM 0 HG2 MET A 1 -15.605 3.505 -37.381 1.00 4.44 H new ATOM 0 HG3 MET A 1 -15.427 2.024 -36.460 1.00 4.44 H new ATOM 0 HE1 MET A 1 -15.884 6.251 -34.630 1.00 12.54 H new ATOM 0 HE2 MET A 1 -14.247 5.633 -34.957 1.00 12.54 H new ATOM 0 HE3 MET A 1 -15.395 5.864 -36.297 1.00 12.54 H new ATOM 20 N MET A 2 -11.961 0.421 -37.400 1.00 70.31 N ATOM 21 CA MET A 2 -11.892 -1.044 -37.323 1.00 20.43 C ATOM 22 C MET A 2 -11.845 -1.534 -35.868 1.00 2.31 C ATOM 23 O MET A 2 -11.444 -0.805 -34.960 1.00 1.34 O ATOM 24 CB MET A 2 -10.668 -1.560 -38.093 1.00 12.22 C ATOM 25 CG MET A 2 -10.784 -1.388 -39.598 1.00 31.10 C ATOM 26 SD MET A 2 -12.198 -2.282 -40.278 1.00 11.21 S ATOM 27 CE MET A 2 -12.106 -1.811 -42.004 1.00 54.00 C ATOM 0 H MET A 2 -11.077 0.892 -37.209 1.00 70.31 H new ATOM 0 HA MET A 2 -12.798 -1.442 -37.780 1.00 20.43 H new ATOM 0 HB2 MET A 2 -9.780 -1.035 -37.742 1.00 12.22 H new ATOM 0 HB3 MET A 2 -10.524 -2.616 -37.866 1.00 12.22 H new ATOM 0 HG2 MET A 2 -10.878 -0.328 -39.835 1.00 31.10 H new ATOM 0 HG3 MET A 2 -9.869 -1.741 -40.074 1.00 31.10 H new ATOM 0 HE1 MET A 2 -12.918 -2.287 -42.555 1.00 54.00 H new ATOM 0 HE2 MET A 2 -12.194 -0.728 -42.091 1.00 54.00 H new ATOM 0 HE3 MET A 2 -11.150 -2.131 -42.418 1.00 54.00 H new ATOM 37 N ARG A 3 -12.249 -2.780 -35.656 1.00 43.34 N ATOM 38 CA ARG A 3 -12.273 -3.371 -34.316 1.00 1.25 C ATOM 39 C ARG A 3 -10.990 -4.171 -34.042 1.00 70.24 C ATOM 40 O ARG A 3 -10.863 -5.325 -34.454 1.00 13.45 O ATOM 41 CB ARG A 3 -13.505 -4.271 -34.171 1.00 24.31 C ATOM 42 CG ARG A 3 -13.688 -4.868 -32.777 1.00 74.11 C ATOM 43 CD ARG A 3 -14.948 -5.721 -32.704 1.00 35.22 C ATOM 44 NE ARG A 3 -16.139 -4.957 -33.079 1.00 20.21 N ATOM 45 CZ ARG A 3 -17.052 -5.377 -33.918 1.00 53.34 C ATOM 46 NH1 ARG A 3 -16.955 -6.545 -34.469 1.00 53.03 N ATOM 47 NH2 ARG A 3 -18.064 -4.624 -34.207 1.00 11.12 N ATOM 0 H ARG A 3 -12.567 -3.406 -36.396 1.00 43.34 H new ATOM 0 HA ARG A 3 -12.327 -2.566 -33.583 1.00 1.25 H new ATOM 0 HB2 ARG A 3 -14.394 -3.694 -34.426 1.00 24.31 H new ATOM 0 HB3 ARG A 3 -13.434 -5.083 -34.895 1.00 24.31 H new ATOM 0 HG2 ARG A 3 -12.819 -5.475 -32.522 1.00 74.11 H new ATOM 0 HG3 ARG A 3 -13.745 -4.067 -32.040 1.00 74.11 H new ATOM 0 HD2 ARG A 3 -14.844 -6.582 -33.365 1.00 35.22 H new ATOM 0 HD3 ARG A 3 -15.067 -6.109 -31.692 1.00 35.22 H new ATOM 0 HE ARG A 3 -16.266 -4.036 -32.659 1.00 20.21 H new ATOM 0 HH11 ARG A 3 -16.162 -7.148 -34.251 1.00 53.03 H new ATOM 0 HH12 ARG A 3 -17.672 -6.862 -35.121 1.00 53.03 H new ATOM 0 HH21 ARG A 3 -18.151 -3.701 -33.781 1.00 11.12 H new ATOM 0 HH22 ARG A 3 -18.774 -4.953 -34.861 1.00 11.12 H new ATOM 61 N LEU A 4 -10.029 -3.541 -33.369 1.00 40.42 N ATOM 62 CA LEU A 4 -8.770 -4.206 -33.012 1.00 5.44 C ATOM 63 C LEU A 4 -8.932 -5.050 -31.739 1.00 12.12 C ATOM 64 O LEU A 4 -9.458 -4.574 -30.730 1.00 65.11 O ATOM 65 CB LEU A 4 -7.637 -3.175 -32.816 1.00 53.13 C ATOM 66 CG LEU A 4 -7.145 -2.456 -34.090 1.00 11.31 C ATOM 67 CD1 LEU A 4 -6.727 -3.466 -35.158 1.00 5.14 C ATOM 68 CD2 LEU A 4 -8.206 -1.500 -34.632 1.00 21.43 C ATOM 0 H LEU A 4 -10.095 -2.572 -33.059 1.00 40.42 H new ATOM 0 HA LEU A 4 -8.504 -4.867 -33.837 1.00 5.44 H new ATOM 0 HB2 LEU A 4 -7.978 -2.421 -32.107 1.00 53.13 H new ATOM 0 HB3 LEU A 4 -6.787 -3.682 -32.358 1.00 53.13 H new ATOM 0 HG LEU A 4 -6.271 -1.864 -33.820 1.00 11.31 H new ATOM 0 HD11 LEU A 4 -6.384 -2.935 -36.046 1.00 5.14 H new ATOM 0 HD12 LEU A 4 -5.920 -4.089 -34.773 1.00 5.14 H new ATOM 0 HD13 LEU A 4 -7.579 -4.095 -35.417 1.00 5.14 H new ATOM 0 HD21 LEU A 4 -7.829 -1.009 -35.529 1.00 21.43 H new ATOM 0 HD22 LEU A 4 -9.109 -2.059 -34.876 1.00 21.43 H new ATOM 0 HD23 LEU A 4 -8.438 -0.748 -33.877 1.00 21.43 H new ATOM 80 N ALA A 5 -8.479 -6.301 -31.793 1.00 12.21 N ATOM 81 CA ALA A 5 -8.565 -7.206 -30.643 1.00 41.30 C ATOM 82 C ALA A 5 -7.509 -6.864 -29.581 1.00 4.51 C ATOM 83 O ALA A 5 -6.560 -6.124 -29.852 1.00 10.42 O ATOM 84 CB ALA A 5 -8.418 -8.654 -31.103 1.00 33.02 C ATOM 0 H ALA A 5 -8.048 -6.714 -32.620 1.00 12.21 H new ATOM 0 HA ALA A 5 -9.545 -7.080 -30.184 1.00 41.30 H new ATOM 0 HB1 ALA A 5 -8.483 -9.318 -30.241 1.00 33.02 H new ATOM 0 HB2 ALA A 5 -9.214 -8.895 -31.808 1.00 33.02 H new ATOM 0 HB3 ALA A 5 -7.451 -8.785 -31.589 1.00 33.02 H new ATOM 90 N ASN A 6 -7.675 -7.411 -28.378 1.00 35.45 N ATOM 91 CA ASN A 6 -6.775 -7.116 -27.257 1.00 25.42 C ATOM 92 C ASN A 6 -5.312 -7.470 -27.580 1.00 42.24 C ATOM 93 O ASN A 6 -4.433 -6.607 -27.544 1.00 23.41 O ATOM 94 CB ASN A 6 -7.229 -7.868 -26.002 1.00 44.21 C ATOM 95 CG ASN A 6 -8.609 -7.443 -25.533 1.00 51.24 C ATOM 96 OD1 ASN A 6 -9.622 -7.995 -25.949 1.00 13.33 O ATOM 97 ND2 ASN A 6 -8.666 -6.454 -24.666 1.00 41.04 N ATOM 0 H ASN A 6 -8.426 -8.063 -28.151 1.00 35.45 H new ATOM 0 HA ASN A 6 -6.822 -6.042 -27.077 1.00 25.42 H new ATOM 0 HB2 ASN A 6 -7.233 -8.939 -26.206 1.00 44.21 H new ATOM 0 HB3 ASN A 6 -6.509 -7.699 -25.201 1.00 44.21 H new ATOM 0 HD21 ASN A 6 -9.570 -6.128 -24.323 1.00 41.04 H new ATOM 0 HD22 ASN A 6 -7.807 -6.014 -24.337 1.00 41.04 H new ATOM 104 N GLY A 7 -5.058 -8.740 -27.892 1.00 64.35 N ATOM 105 CA GLY A 7 -3.697 -9.185 -28.181 1.00 73.13 C ATOM 106 C GLY A 7 -2.780 -9.116 -26.962 1.00 23.22 C ATOM 107 O GLY A 7 -1.561 -9.011 -27.092 1.00 42.24 O ATOM 0 H GLY A 7 -5.767 -9.471 -27.951 1.00 64.35 H new ATOM 0 HA2 GLY A 7 -3.726 -10.210 -28.551 1.00 73.13 H new ATOM 0 HA3 GLY A 7 -3.280 -8.570 -28.979 1.00 73.13 H new ATOM 111 N ILE A 8 -3.373 -9.179 -25.775 1.00 21.02 N ATOM 112 CA ILE A 8 -2.630 -9.060 -24.516 1.00 33.25 C ATOM 113 C ILE A 8 -2.343 -10.436 -23.884 1.00 32.20 C ATOM 114 O ILE A 8 -3.010 -11.431 -24.189 1.00 44.12 O ATOM 115 CB ILE A 8 -3.407 -8.189 -23.493 1.00 23.33 C ATOM 116 CG1 ILE A 8 -4.791 -8.805 -23.212 1.00 3.21 C ATOM 117 CG2 ILE A 8 -3.542 -6.753 -24.002 1.00 62.21 C ATOM 118 CD1 ILE A 8 -5.664 -7.988 -22.284 1.00 34.52 C ATOM 0 H ILE A 8 -4.377 -9.313 -25.653 1.00 21.02 H new ATOM 0 HA ILE A 8 -1.681 -8.583 -24.760 1.00 33.25 H new ATOM 0 HB ILE A 8 -2.846 -8.163 -22.559 1.00 23.33 H new ATOM 0 HG12 ILE A 8 -5.314 -8.939 -24.159 1.00 3.21 H new ATOM 0 HG13 ILE A 8 -4.653 -9.797 -22.781 1.00 3.21 H new ATOM 0 HG21 ILE A 8 -4.090 -6.158 -23.271 1.00 62.21 H new ATOM 0 HG22 ILE A 8 -2.551 -6.325 -24.149 1.00 62.21 H new ATOM 0 HG23 ILE A 8 -4.082 -6.752 -24.949 1.00 62.21 H new ATOM 0 HD11 ILE A 8 -6.618 -8.495 -22.142 1.00 34.52 H new ATOM 0 HD12 ILE A 8 -5.166 -7.875 -21.321 1.00 34.52 H new ATOM 0 HD13 ILE A 8 -5.838 -7.004 -22.720 1.00 34.52 H new ATOM 130 N VAL A 9 -1.345 -10.480 -23.003 1.00 62.02 N ATOM 131 CA VAL A 9 -0.975 -11.714 -22.295 1.00 51.41 C ATOM 132 C VAL A 9 -1.126 -11.542 -20.776 1.00 3.23 C ATOM 133 O VAL A 9 -1.929 -12.224 -20.132 1.00 12.30 O ATOM 134 CB VAL A 9 0.481 -12.133 -22.625 1.00 72.43 C ATOM 135 CG1 VAL A 9 0.855 -13.434 -21.914 1.00 64.30 C ATOM 136 CG2 VAL A 9 0.679 -12.262 -24.136 1.00 54.44 C ATOM 0 H VAL A 9 -0.772 -9.672 -22.758 1.00 62.02 H new ATOM 0 HA VAL A 9 -1.653 -12.498 -22.634 1.00 51.41 H new ATOM 0 HB VAL A 9 1.146 -11.350 -22.260 1.00 72.43 H new ATOM 0 HG11 VAL A 9 1.881 -13.703 -22.164 1.00 64.30 H new ATOM 0 HG12 VAL A 9 0.768 -13.298 -20.836 1.00 64.30 H new ATOM 0 HG13 VAL A 9 0.183 -14.230 -22.234 1.00 64.30 H new ATOM 0 HG21 VAL A 9 1.708 -12.557 -24.344 1.00 54.44 H new ATOM 0 HG22 VAL A 9 -0.002 -13.017 -24.529 1.00 54.44 H new ATOM 0 HG23 VAL A 9 0.472 -11.304 -24.613 1.00 54.44 H new ATOM 146 N LEU A 10 -0.352 -10.619 -20.212 1.00 25.24 N ATOM 147 CA LEU A 10 -0.396 -10.330 -18.774 1.00 24.02 C ATOM 148 C LEU A 10 -1.269 -9.107 -18.492 1.00 54.41 C ATOM 149 O LEU A 10 -2.202 -9.161 -17.690 1.00 44.34 O ATOM 150 CB LEU A 10 1.022 -10.072 -18.247 1.00 40.12 C ATOM 151 CG LEU A 10 2.030 -11.199 -18.500 1.00 33.43 C ATOM 152 CD1 LEU A 10 3.392 -10.836 -17.923 1.00 5.42 C ATOM 153 CD2 LEU A 10 1.520 -12.508 -17.915 1.00 44.32 C ATOM 0 H LEU A 10 0.319 -10.052 -20.730 1.00 25.24 H new ATOM 0 HA LEU A 10 -0.825 -11.194 -18.267 1.00 24.02 H new ATOM 0 HB2 LEU A 10 1.401 -9.158 -18.704 1.00 40.12 H new ATOM 0 HB3 LEU A 10 0.966 -9.891 -17.174 1.00 40.12 H new ATOM 0 HG LEU A 10 2.144 -11.330 -19.576 1.00 33.43 H new ATOM 0 HD11 LEU A 10 4.095 -11.647 -18.112 1.00 5.42 H new ATOM 0 HD12 LEU A 10 3.756 -9.923 -18.395 1.00 5.42 H new ATOM 0 HD13 LEU A 10 3.301 -10.677 -16.848 1.00 5.42 H new ATOM 0 HD21 LEU A 10 2.247 -13.298 -18.103 1.00 44.32 H new ATOM 0 HD22 LEU A 10 1.377 -12.395 -16.840 1.00 44.32 H new ATOM 0 HD23 LEU A 10 0.571 -12.770 -18.382 1.00 44.32 H new ATOM 165 N ASP A 11 -0.935 -8.008 -19.159 1.00 13.54 N ATOM 166 CA ASP A 11 -1.644 -6.730 -19.009 1.00 74.24 C ATOM 167 C ASP A 11 -3.159 -6.870 -19.260 1.00 52.41 C ATOM 168 O ASP A 11 -3.626 -6.775 -20.395 1.00 3.13 O ATOM 169 CB ASP A 11 -1.046 -5.699 -19.976 1.00 13.24 C ATOM 170 CG ASP A 11 0.462 -5.595 -19.843 1.00 41.14 C ATOM 171 OD1 ASP A 11 1.168 -6.500 -20.339 1.00 15.55 O ATOM 172 OD2 ASP A 11 0.948 -4.611 -19.246 1.00 52.32 O ATOM 0 H ASP A 11 -0.162 -7.972 -19.824 1.00 13.54 H new ATOM 0 HA ASP A 11 -1.517 -6.397 -17.979 1.00 74.24 H new ATOM 0 HB2 ASP A 11 -1.301 -5.973 -21.000 1.00 13.24 H new ATOM 0 HB3 ASP A 11 -1.494 -4.723 -19.787 1.00 13.24 H new ATOM 177 N LYS A 12 -3.917 -7.108 -18.192 1.00 51.15 N ATOM 178 CA LYS A 12 -5.376 -7.250 -18.288 1.00 35.14 C ATOM 179 C LYS A 12 -6.093 -6.359 -17.260 1.00 22.44 C ATOM 180 O LYS A 12 -5.462 -5.587 -16.535 1.00 1.13 O ATOM 181 CB LYS A 12 -5.789 -8.718 -18.062 1.00 33.14 C ATOM 182 CG LYS A 12 -5.523 -9.229 -16.644 1.00 42.35 C ATOM 183 CD LYS A 12 -6.096 -10.627 -16.427 1.00 24.35 C ATOM 184 CE LYS A 12 -5.935 -11.101 -14.983 1.00 3.35 C ATOM 185 NZ LYS A 12 -4.506 -11.220 -14.581 1.00 61.21 N ATOM 0 H LYS A 12 -3.548 -7.207 -17.246 1.00 51.15 H new ATOM 0 HA LYS A 12 -5.671 -6.936 -19.289 1.00 35.14 H new ATOM 0 HB2 LYS A 12 -6.851 -8.824 -18.282 1.00 33.14 H new ATOM 0 HB3 LYS A 12 -5.253 -9.349 -18.771 1.00 33.14 H new ATOM 0 HG2 LYS A 12 -4.449 -9.244 -16.459 1.00 42.35 H new ATOM 0 HG3 LYS A 12 -5.961 -8.541 -15.922 1.00 42.35 H new ATOM 0 HD2 LYS A 12 -7.153 -10.629 -16.692 1.00 24.35 H new ATOM 0 HD3 LYS A 12 -5.598 -11.329 -17.095 1.00 24.35 H new ATOM 0 HE2 LYS A 12 -6.440 -10.403 -14.316 1.00 3.35 H new ATOM 0 HE3 LYS A 12 -6.425 -12.067 -14.864 1.00 3.35 H new ATOM 0 HZ1 LYS A 12 -4.447 -11.624 -13.625 1.00 61.21 H new ATOM 0 HZ2 LYS A 12 -4.007 -11.840 -15.251 1.00 61.21 H new ATOM 0 HZ3 LYS A 12 -4.064 -10.279 -14.587 1.00 61.21 H new ATOM 199 N ASP A 13 -7.418 -6.463 -17.212 1.00 22.43 N ATOM 200 CA ASP A 13 -8.209 -5.794 -16.186 1.00 43.40 C ATOM 201 C ASP A 13 -8.331 -6.691 -14.948 1.00 4.41 C ATOM 202 O ASP A 13 -8.767 -7.837 -15.038 1.00 63.50 O ATOM 203 CB ASP A 13 -9.599 -5.434 -16.726 1.00 13.23 C ATOM 204 CG ASP A 13 -10.524 -4.907 -15.642 1.00 13.32 C ATOM 205 OD1 ASP A 13 -10.182 -3.892 -14.997 1.00 64.14 O ATOM 206 OD2 ASP A 13 -11.593 -5.514 -15.420 1.00 14.24 O ATOM 0 H ASP A 13 -7.968 -7.008 -17.876 1.00 22.43 H new ATOM 0 HA ASP A 13 -7.703 -4.871 -15.902 1.00 43.40 H new ATOM 0 HB2 ASP A 13 -9.498 -4.683 -17.510 1.00 13.23 H new ATOM 0 HB3 ASP A 13 -10.047 -6.315 -17.185 1.00 13.23 H new ATOM 211 N THR A 14 -7.931 -6.160 -13.805 1.00 41.44 N ATOM 212 CA THR A 14 -7.969 -6.900 -12.535 1.00 2.11 C ATOM 213 C THR A 14 -9.404 -7.247 -12.099 1.00 20.14 C ATOM 214 O THR A 14 -9.610 -8.145 -11.279 1.00 72.30 O ATOM 215 CB THR A 14 -7.270 -6.103 -11.409 1.00 3.42 C ATOM 216 OG1 THR A 14 -7.762 -4.753 -11.373 1.00 45.42 O ATOM 217 CG2 THR A 14 -5.755 -6.084 -11.609 1.00 70.34 C ATOM 0 H THR A 14 -7.571 -5.209 -13.721 1.00 41.44 H new ATOM 0 HA THR A 14 -7.434 -7.834 -12.709 1.00 2.11 H new ATOM 0 HB THR A 14 -7.493 -6.598 -10.464 1.00 3.42 H new ATOM 0 HG1 THR A 14 -7.313 -4.260 -10.655 1.00 45.42 H new ATOM 0 HG21 THR A 14 -5.289 -5.517 -10.803 1.00 70.34 H new ATOM 0 HG22 THR A 14 -5.374 -7.105 -11.602 1.00 70.34 H new ATOM 0 HG23 THR A 14 -5.520 -5.616 -12.565 1.00 70.34 H new ATOM 225 N THR A 15 -10.380 -6.524 -12.650 1.00 62.40 N ATOM 226 CA THR A 15 -11.809 -6.768 -12.387 1.00 72.24 C ATOM 227 C THR A 15 -12.172 -6.575 -10.905 1.00 3.24 C ATOM 228 O THR A 15 -12.242 -7.531 -10.131 1.00 23.23 O ATOM 229 CB THR A 15 -12.263 -8.180 -12.854 1.00 64.40 C ATOM 230 OG1 THR A 15 -11.940 -8.371 -14.244 1.00 61.33 O ATOM 231 CG2 THR A 15 -13.767 -8.374 -12.659 1.00 71.44 C ATOM 0 H THR A 15 -10.207 -5.751 -13.293 1.00 62.40 H new ATOM 0 HA THR A 15 -12.344 -6.021 -12.974 1.00 72.24 H new ATOM 0 HB THR A 15 -11.734 -8.914 -12.246 1.00 64.40 H new ATOM 0 HG1 THR A 15 -11.819 -7.499 -14.674 1.00 61.33 H new ATOM 0 HG21 THR A 15 -14.052 -9.371 -12.995 1.00 71.44 H new ATOM 0 HG22 THR A 15 -14.014 -8.263 -11.603 1.00 71.44 H new ATOM 0 HG23 THR A 15 -14.308 -7.627 -13.239 1.00 71.44 H new ATOM 239 N PHE A 16 -12.374 -5.320 -10.514 1.00 63.23 N ATOM 240 CA PHE A 16 -12.840 -4.985 -9.161 1.00 62.42 C ATOM 241 C PHE A 16 -13.990 -3.971 -9.214 1.00 23.32 C ATOM 242 O PHE A 16 -13.943 -3.001 -9.975 1.00 33.01 O ATOM 243 CB PHE A 16 -11.701 -4.410 -8.307 1.00 31.12 C ATOM 244 CG PHE A 16 -10.610 -5.401 -7.968 1.00 23.21 C ATOM 245 CD1 PHE A 16 -10.874 -6.491 -7.150 1.00 2.25 C ATOM 246 CD2 PHE A 16 -9.323 -5.235 -8.457 1.00 62.23 C ATOM 247 CE1 PHE A 16 -9.878 -7.394 -6.829 1.00 64.12 C ATOM 248 CE2 PHE A 16 -8.325 -6.135 -8.139 1.00 54.20 C ATOM 249 CZ PHE A 16 -8.601 -7.217 -7.326 1.00 43.14 C ATOM 0 H PHE A 16 -12.223 -4.510 -11.115 1.00 63.23 H new ATOM 0 HA PHE A 16 -13.194 -5.909 -8.704 1.00 62.42 H new ATOM 0 HB2 PHE A 16 -11.257 -3.567 -8.836 1.00 31.12 H new ATOM 0 HB3 PHE A 16 -12.120 -4.019 -7.380 1.00 31.12 H new ATOM 0 HD1 PHE A 16 -11.870 -6.635 -6.759 1.00 2.25 H new ATOM 0 HD2 PHE A 16 -9.099 -4.392 -9.094 1.00 62.23 H new ATOM 0 HE1 PHE A 16 -10.098 -8.237 -6.190 1.00 64.12 H new ATOM 0 HE2 PHE A 16 -7.327 -5.993 -8.527 1.00 54.20 H new ATOM 0 HZ PHE A 16 -7.821 -7.922 -7.080 1.00 43.14 H new ATOM 259 N GLY A 17 -15.025 -4.202 -8.412 1.00 51.05 N ATOM 260 CA GLY A 17 -16.130 -3.256 -8.324 1.00 30.42 C ATOM 261 C GLY A 17 -15.996 -2.321 -7.127 1.00 4.30 C ATOM 262 O GLY A 17 -15.357 -1.271 -7.216 1.00 44.24 O ATOM 0 H GLY A 17 -15.121 -5.027 -7.820 1.00 51.05 H new ATOM 0 HA2 GLY A 17 -16.175 -2.666 -9.240 1.00 30.42 H new ATOM 0 HA3 GLY A 17 -17.070 -3.804 -8.251 1.00 30.42 H new ATOM 266 N GLU A 18 -16.596 -2.701 -6.004 1.00 63.20 N ATOM 267 CA GLU A 18 -16.503 -1.915 -4.774 1.00 42.42 C ATOM 268 C GLU A 18 -15.298 -2.346 -3.914 1.00 12.42 C ATOM 269 O GLU A 18 -15.293 -3.433 -3.328 1.00 74.41 O ATOM 270 CB GLU A 18 -17.798 -2.062 -3.962 1.00 4.22 C ATOM 271 CG GLU A 18 -17.799 -1.264 -2.664 1.00 0.24 C ATOM 272 CD GLU A 18 -18.980 -1.590 -1.760 1.00 44.24 C ATOM 273 OE1 GLU A 18 -18.991 -2.688 -1.171 1.00 54.42 O ATOM 274 OE2 GLU A 18 -19.897 -0.755 -1.629 1.00 3.22 O ATOM 0 H GLU A 18 -17.154 -3.551 -5.918 1.00 63.20 H new ATOM 0 HA GLU A 18 -16.360 -0.872 -5.055 1.00 42.42 H new ATOM 0 HB2 GLU A 18 -18.640 -1.742 -4.576 1.00 4.22 H new ATOM 0 HB3 GLU A 18 -17.954 -3.116 -3.731 1.00 4.22 H new ATOM 0 HG2 GLU A 18 -16.872 -1.459 -2.125 1.00 0.24 H new ATOM 0 HG3 GLU A 18 -17.813 -0.200 -2.899 1.00 0.24 H new ATOM 281 N LEU A 19 -14.278 -1.494 -3.850 1.00 15.41 N ATOM 282 CA LEU A 19 -13.125 -1.713 -2.965 1.00 43.40 C ATOM 283 C LEU A 19 -13.167 -0.731 -1.791 1.00 43.41 C ATOM 284 O LEU A 19 -13.333 0.473 -1.990 1.00 43.34 O ATOM 285 CB LEU A 19 -11.809 -1.539 -3.739 1.00 40.35 C ATOM 286 CG LEU A 19 -11.565 -2.556 -4.868 1.00 22.32 C ATOM 287 CD1 LEU A 19 -10.244 -2.261 -5.577 1.00 44.52 C ATOM 288 CD2 LEU A 19 -11.581 -3.982 -4.318 1.00 2.44 C ATOM 0 H LEU A 19 -14.222 -0.638 -4.402 1.00 15.41 H new ATOM 0 HA LEU A 19 -13.175 -2.732 -2.582 1.00 43.40 H new ATOM 0 HB2 LEU A 19 -11.789 -0.536 -4.166 1.00 40.35 H new ATOM 0 HB3 LEU A 19 -10.981 -1.601 -3.033 1.00 40.35 H new ATOM 0 HG LEU A 19 -12.370 -2.464 -5.597 1.00 22.32 H new ATOM 0 HD11 LEU A 19 -10.087 -2.990 -6.372 1.00 44.52 H new ATOM 0 HD12 LEU A 19 -10.276 -1.259 -6.004 1.00 44.52 H new ATOM 0 HD13 LEU A 19 -9.425 -2.324 -4.861 1.00 44.52 H new ATOM 0 HD21 LEU A 19 -11.407 -4.687 -5.131 1.00 2.44 H new ATOM 0 HD22 LEU A 19 -10.798 -4.092 -3.568 1.00 2.44 H new ATOM 0 HD23 LEU A 19 -12.550 -4.185 -3.862 1.00 2.44 H new ATOM 300 N LYS A 20 -13.030 -1.231 -0.564 1.00 73.25 N ATOM 301 CA LYS A 20 -13.104 -0.364 0.617 1.00 34.23 C ATOM 302 C LYS A 20 -11.801 -0.370 1.428 1.00 64.03 C ATOM 303 O LYS A 20 -11.172 -1.417 1.614 1.00 52.01 O ATOM 304 CB LYS A 20 -14.268 -0.775 1.527 1.00 32.22 C ATOM 305 CG LYS A 20 -15.633 -0.792 0.835 1.00 34.42 C ATOM 306 CD LYS A 20 -15.996 -2.177 0.303 1.00 62.43 C ATOM 307 CE LYS A 20 -16.278 -3.164 1.434 1.00 34.45 C ATOM 308 NZ LYS A 20 -17.368 -2.690 2.333 1.00 1.13 N ATOM 0 H LYS A 20 -12.869 -2.217 -0.360 1.00 73.25 H new ATOM 0 HA LYS A 20 -13.269 0.648 0.246 1.00 34.23 H new ATOM 0 HB2 LYS A 20 -14.066 -1.767 1.930 1.00 32.22 H new ATOM 0 HB3 LYS A 20 -14.311 -0.090 2.374 1.00 32.22 H new ATOM 0 HG2 LYS A 20 -16.398 -0.463 1.538 1.00 34.42 H new ATOM 0 HG3 LYS A 20 -15.629 -0.078 0.011 1.00 34.42 H new ATOM 0 HD2 LYS A 20 -16.873 -2.101 -0.340 1.00 62.43 H new ATOM 0 HD3 LYS A 20 -15.180 -2.555 -0.314 1.00 62.43 H new ATOM 0 HE2 LYS A 20 -16.552 -4.131 1.011 1.00 34.45 H new ATOM 0 HE3 LYS A 20 -15.369 -3.317 2.016 1.00 34.45 H new ATOM 0 HZ1 LYS A 20 -17.881 -3.509 2.719 1.00 1.13 H new ATOM 0 HZ2 LYS A 20 -16.959 -2.139 3.114 1.00 1.13 H new ATOM 0 HZ3 LYS A 20 -18.026 -2.092 1.795 1.00 1.13 H new ATOM 322 N PHE A 21 -11.414 0.806 1.916 1.00 5.01 N ATOM 323 CA PHE A 21 -10.234 0.944 2.774 1.00 54.24 C ATOM 324 C PHE A 21 -10.530 0.475 4.212 1.00 4.21 C ATOM 325 O PHE A 21 -11.627 0.688 4.738 1.00 44.13 O ATOM 326 CB PHE A 21 -9.756 2.405 2.785 1.00 10.32 C ATOM 327 CG PHE A 21 -8.555 2.647 3.669 1.00 62.00 C ATOM 328 CD1 PHE A 21 -7.278 2.322 3.232 1.00 60.33 C ATOM 329 CD2 PHE A 21 -8.705 3.199 4.935 1.00 23.22 C ATOM 330 CE1 PHE A 21 -6.180 2.545 4.038 1.00 62.11 C ATOM 331 CE2 PHE A 21 -7.608 3.423 5.743 1.00 54.23 C ATOM 332 CZ PHE A 21 -6.344 3.094 5.294 1.00 4.32 C ATOM 0 H PHE A 21 -11.902 1.683 1.732 1.00 5.01 H new ATOM 0 HA PHE A 21 -9.446 0.310 2.367 1.00 54.24 H new ATOM 0 HB2 PHE A 21 -9.512 2.705 1.766 1.00 10.32 H new ATOM 0 HB3 PHE A 21 -10.575 3.043 3.118 1.00 10.32 H new ATOM 0 HD1 PHE A 21 -7.142 1.890 2.251 1.00 60.33 H new ATOM 0 HD2 PHE A 21 -9.692 3.456 5.291 1.00 23.22 H new ATOM 0 HE1 PHE A 21 -5.191 2.290 3.686 1.00 62.11 H new ATOM 0 HE2 PHE A 21 -7.738 3.855 6.724 1.00 54.23 H new ATOM 0 HZ PHE A 21 -5.485 3.266 5.925 1.00 4.32 H new ATOM 342 N SER A 22 -9.544 -0.169 4.837 1.00 64.40 N ATOM 343 CA SER A 22 -9.678 -0.638 6.226 1.00 14.15 C ATOM 344 C SER A 22 -8.564 -0.074 7.119 1.00 35.20 C ATOM 345 O SER A 22 -8.826 0.676 8.062 1.00 72.30 O ATOM 346 CB SER A 22 -9.651 -2.172 6.278 1.00 70.51 C ATOM 347 OG SER A 22 -9.791 -2.659 7.608 1.00 14.33 O ATOM 0 H SER A 22 -8.643 -0.380 4.408 1.00 64.40 H new ATOM 0 HA SER A 22 -10.636 -0.278 6.602 1.00 14.15 H new ATOM 0 HB2 SER A 22 -10.454 -2.571 5.659 1.00 70.51 H new ATOM 0 HB3 SER A 22 -8.713 -2.533 5.856 1.00 70.51 H new ATOM 0 HG SER A 22 -9.771 -3.639 7.601 1.00 14.33 H new ATOM 353 N ALA A 23 -7.317 -0.427 6.813 1.00 54.32 N ATOM 354 CA ALA A 23 -6.175 -0.003 7.629 1.00 43.23 C ATOM 355 C ALA A 23 -4.861 -0.037 6.835 1.00 11.55 C ATOM 356 O ALA A 23 -4.823 -0.478 5.682 1.00 64.44 O ATOM 357 CB ALA A 23 -6.064 -0.881 8.874 1.00 70.33 C ATOM 0 H ALA A 23 -7.069 -1.004 6.009 1.00 54.32 H new ATOM 0 HA ALA A 23 -6.349 1.030 7.930 1.00 43.23 H new ATOM 0 HB1 ALA A 23 -5.213 -0.557 9.473 1.00 70.33 H new ATOM 0 HB2 ALA A 23 -6.977 -0.793 9.464 1.00 70.33 H new ATOM 0 HB3 ALA A 23 -5.924 -1.920 8.575 1.00 70.33 H new ATOM 363 N LEU A 24 -3.789 0.439 7.461 1.00 73.13 N ATOM 364 CA LEU A 24 -2.456 0.423 6.850 1.00 42.33 C ATOM 365 C LEU A 24 -1.732 -0.901 7.143 1.00 20.02 C ATOM 366 O LEU A 24 -1.399 -1.194 8.294 1.00 33.03 O ATOM 367 CB LEU A 24 -1.627 1.604 7.379 1.00 32.20 C ATOM 368 CG LEU A 24 -0.197 1.724 6.813 1.00 51.44 C ATOM 369 CD1 LEU A 24 -0.225 1.958 5.306 1.00 61.20 C ATOM 370 CD2 LEU A 24 0.571 2.839 7.522 1.00 22.11 C ATOM 0 H LEU A 24 -3.814 0.844 8.397 1.00 73.13 H new ATOM 0 HA LEU A 24 -2.571 0.516 5.770 1.00 42.33 H new ATOM 0 HB2 LEU A 24 -2.163 2.527 7.160 1.00 32.20 H new ATOM 0 HB3 LEU A 24 -1.563 1.522 8.464 1.00 32.20 H new ATOM 0 HG LEU A 24 0.321 0.783 6.997 1.00 51.44 H new ATOM 0 HD11 LEU A 24 0.795 2.039 4.931 1.00 61.20 H new ATOM 0 HD12 LEU A 24 -0.726 1.122 4.817 1.00 61.20 H new ATOM 0 HD13 LEU A 24 -0.765 2.880 5.091 1.00 61.20 H new ATOM 0 HD21 LEU A 24 1.577 2.908 7.109 1.00 22.11 H new ATOM 0 HD22 LEU A 24 0.053 3.787 7.376 1.00 22.11 H new ATOM 0 HD23 LEU A 24 0.631 2.619 8.588 1.00 22.11 H new ATOM 382 N ARG A 25 -1.494 -1.702 6.107 1.00 21.30 N ATOM 383 CA ARG A 25 -0.800 -2.986 6.267 1.00 42.41 C ATOM 384 C ARG A 25 0.624 -2.791 6.811 1.00 12.10 C ATOM 385 O ARG A 25 0.977 -3.332 7.860 1.00 10.22 O ATOM 386 CB ARG A 25 -0.742 -3.742 4.928 1.00 22.14 C ATOM 387 CG ARG A 25 0.060 -5.049 4.981 1.00 15.05 C ATOM 388 CD ARG A 25 -0.625 -6.123 5.825 1.00 55.02 C ATOM 389 NE ARG A 25 -1.880 -6.568 5.227 1.00 32.44 N ATOM 390 CZ ARG A 25 -2.100 -7.775 4.775 1.00 64.34 C ATOM 391 NH1 ARG A 25 -1.197 -8.696 4.855 1.00 20.30 N ATOM 392 NH2 ARG A 25 -3.236 -8.057 4.228 1.00 15.34 N ATOM 0 H ARG A 25 -1.769 -1.489 5.148 1.00 21.30 H new ATOM 0 HA ARG A 25 -1.367 -3.574 6.988 1.00 42.41 H new ATOM 0 HB2 ARG A 25 -1.759 -3.965 4.605 1.00 22.14 H new ATOM 0 HB3 ARG A 25 -0.303 -3.089 4.173 1.00 22.14 H new ATOM 0 HG2 ARG A 25 0.204 -5.425 3.968 1.00 15.05 H new ATOM 0 HG3 ARG A 25 1.050 -4.847 5.389 1.00 15.05 H new ATOM 0 HD2 ARG A 25 0.044 -6.976 5.940 1.00 55.02 H new ATOM 0 HD3 ARG A 25 -0.818 -5.731 6.824 1.00 55.02 H new ATOM 0 HE ARG A 25 -2.639 -5.890 5.157 1.00 32.44 H new ATOM 0 HH11 ARG A 25 -0.292 -8.488 5.277 1.00 20.30 H new ATOM 0 HH12 ARG A 25 -1.389 -9.631 4.496 1.00 20.30 H new ATOM 0 HH21 ARG A 25 -3.957 -7.339 4.150 1.00 15.34 H new ATOM 0 HH22 ARG A 25 -3.412 -8.997 3.874 1.00 15.34 H new ATOM 406 N ARG A 26 1.439 -2.019 6.088 1.00 43.44 N ATOM 407 CA ARG A 26 2.830 -1.777 6.490 1.00 74.43 C ATOM 408 C ARG A 26 3.549 -0.796 5.551 1.00 1.22 C ATOM 409 O ARG A 26 3.323 -0.796 4.341 1.00 15.31 O ATOM 410 CB ARG A 26 3.608 -3.104 6.534 1.00 23.33 C ATOM 411 CG ARG A 26 5.085 -2.936 6.870 1.00 72.30 C ATOM 412 CD ARG A 26 5.801 -4.276 6.990 1.00 65.33 C ATOM 413 NE ARG A 26 5.211 -5.125 8.020 1.00 32.52 N ATOM 414 CZ ARG A 26 5.581 -6.356 8.257 1.00 4.33 C ATOM 415 NH1 ARG A 26 6.566 -6.891 7.605 1.00 42.42 N ATOM 416 NH2 ARG A 26 4.984 -7.034 9.178 1.00 12.23 N ATOM 0 H ARG A 26 1.163 -1.552 5.224 1.00 43.44 H new ATOM 0 HA ARG A 26 2.800 -1.327 7.482 1.00 74.43 H new ATOM 0 HB2 ARG A 26 3.148 -3.760 7.273 1.00 23.33 H new ATOM 0 HB3 ARG A 26 3.518 -3.600 5.568 1.00 23.33 H new ATOM 0 HG2 ARG A 26 5.566 -2.336 6.098 1.00 72.30 H new ATOM 0 HG3 ARG A 26 5.183 -2.388 7.807 1.00 72.30 H new ATOM 0 HD2 ARG A 26 5.765 -4.793 6.031 1.00 65.33 H new ATOM 0 HD3 ARG A 26 6.853 -4.105 7.221 1.00 65.33 H new ATOM 0 HE ARG A 26 4.462 -4.733 8.591 1.00 32.52 H new ATOM 0 HH11 ARG A 26 7.063 -6.350 6.897 1.00 42.42 H new ATOM 0 HH12 ARG A 26 6.844 -7.853 7.800 1.00 42.42 H new ATOM 0 HH21 ARG A 26 4.229 -6.609 9.716 1.00 12.23 H new ATOM 0 HH22 ARG A 26 5.267 -7.995 9.368 1.00 12.23 H new ATOM 430 N GLU A 27 4.404 0.047 6.121 1.00 1.21 N ATOM 431 CA GLU A 27 5.324 0.871 5.334 1.00 21.23 C ATOM 432 C GLU A 27 6.723 0.236 5.360 1.00 0.31 C ATOM 433 O GLU A 27 7.470 0.400 6.326 1.00 33.21 O ATOM 434 CB GLU A 27 5.388 2.298 5.897 1.00 65.13 C ATOM 435 CG GLU A 27 4.029 2.978 6.017 1.00 32.01 C ATOM 436 CD GLU A 27 4.126 4.363 6.640 1.00 24.12 C ATOM 437 OE1 GLU A 27 4.328 4.454 7.868 1.00 41.05 O ATOM 438 OE2 GLU A 27 4.004 5.366 5.904 1.00 61.25 O ATOM 0 H GLU A 27 4.481 0.180 7.129 1.00 1.21 H new ATOM 0 HA GLU A 27 4.963 0.923 4.307 1.00 21.23 H new ATOM 0 HB2 GLU A 27 5.857 2.269 6.881 1.00 65.13 H new ATOM 0 HB3 GLU A 27 6.030 2.902 5.256 1.00 65.13 H new ATOM 0 HG2 GLU A 27 3.577 3.058 5.028 1.00 32.01 H new ATOM 0 HG3 GLU A 27 3.367 2.357 6.620 1.00 32.01 H new ATOM 445 N VAL A 28 7.067 -0.508 4.313 1.00 33.21 N ATOM 446 CA VAL A 28 8.340 -1.238 4.277 1.00 45.31 C ATOM 447 C VAL A 28 9.522 -0.307 3.962 1.00 33.15 C ATOM 448 O VAL A 28 9.498 0.435 2.980 1.00 52.32 O ATOM 449 CB VAL A 28 8.308 -2.409 3.255 1.00 62.40 C ATOM 450 CG1 VAL A 28 7.297 -3.471 3.686 1.00 33.12 C ATOM 451 CG2 VAL A 28 7.987 -1.911 1.845 1.00 35.25 C ATOM 0 H VAL A 28 6.489 -0.624 3.480 1.00 33.21 H new ATOM 0 HA VAL A 28 8.482 -1.654 5.274 1.00 45.31 H new ATOM 0 HB VAL A 28 9.301 -2.857 3.235 1.00 62.40 H new ATOM 0 HG11 VAL A 28 7.289 -4.282 2.958 1.00 33.12 H new ATOM 0 HG12 VAL A 28 7.576 -3.863 4.664 1.00 33.12 H new ATOM 0 HG13 VAL A 28 6.304 -3.026 3.744 1.00 33.12 H new ATOM 0 HG21 VAL A 28 7.973 -2.755 1.156 1.00 35.25 H new ATOM 0 HG22 VAL A 28 7.011 -1.425 1.844 1.00 35.25 H new ATOM 0 HG23 VAL A 28 8.748 -1.198 1.529 1.00 35.25 H new ATOM 461 N ARG A 29 10.545 -0.335 4.814 1.00 33.15 N ATOM 462 CA ARG A 29 11.752 0.475 4.611 1.00 63.04 C ATOM 463 C ARG A 29 12.862 -0.331 3.919 1.00 4.01 C ATOM 464 O ARG A 29 12.869 -1.560 3.960 1.00 71.54 O ATOM 465 CB ARG A 29 12.263 1.032 5.951 1.00 4.01 C ATOM 466 CG ARG A 29 11.365 2.102 6.570 1.00 12.11 C ATOM 467 CD ARG A 29 11.953 2.647 7.870 1.00 41.13 C ATOM 468 NE ARG A 29 11.170 3.758 8.414 1.00 43.42 N ATOM 469 CZ ARG A 29 11.450 4.374 9.535 1.00 71.44 C ATOM 470 NH1 ARG A 29 12.446 3.991 10.271 1.00 52.35 N ATOM 471 NH2 ARG A 29 10.728 5.374 9.921 1.00 13.32 N ATOM 0 H ARG A 29 10.565 -0.911 5.656 1.00 33.15 H new ATOM 0 HA ARG A 29 11.482 1.307 3.960 1.00 63.04 H new ATOM 0 HB2 ARG A 29 12.367 0.208 6.657 1.00 4.01 H new ATOM 0 HB3 ARG A 29 13.258 1.451 5.801 1.00 4.01 H new ATOM 0 HG2 ARG A 29 11.229 2.919 5.861 1.00 12.11 H new ATOM 0 HG3 ARG A 29 10.378 1.682 6.764 1.00 12.11 H new ATOM 0 HD2 ARG A 29 12.002 1.846 8.607 1.00 41.13 H new ATOM 0 HD3 ARG A 29 12.976 2.980 7.692 1.00 41.13 H new ATOM 0 HE ARG A 29 10.355 4.072 7.887 1.00 43.42 H new ATOM 0 HH11 ARG A 29 13.022 3.201 9.979 1.00 52.35 H new ATOM 0 HH12 ARG A 29 12.654 4.479 11.142 1.00 52.35 H new ATOM 0 HH21 ARG A 29 9.940 5.684 9.352 1.00 13.32 H new ATOM 0 HH22 ARG A 29 10.946 5.854 10.794 1.00 13.32 H new ATOM 485 N ILE A 30 13.798 0.379 3.292 1.00 63.21 N ATOM 486 CA ILE A 30 14.914 -0.251 2.574 1.00 42.44 C ATOM 487 C ILE A 30 15.929 -0.859 3.557 1.00 13.31 C ATOM 488 O ILE A 30 16.227 -0.268 4.590 1.00 12.24 O ATOM 489 CB ILE A 30 15.631 0.787 1.671 1.00 41.42 C ATOM 490 CG1 ILE A 30 14.611 1.512 0.771 1.00 74.20 C ATOM 491 CG2 ILE A 30 16.714 0.114 0.829 1.00 64.50 C ATOM 492 CD1 ILE A 30 15.190 2.675 -0.007 1.00 34.01 C ATOM 0 H ILE A 30 13.809 1.399 3.265 1.00 63.21 H new ATOM 0 HA ILE A 30 14.503 -1.048 1.955 1.00 42.44 H new ATOM 0 HB ILE A 30 16.112 1.527 2.311 1.00 41.42 H new ATOM 0 HG12 ILE A 30 14.187 0.794 0.069 1.00 74.20 H new ATOM 0 HG13 ILE A 30 13.790 1.875 1.390 1.00 74.20 H new ATOM 0 HG21 ILE A 30 17.204 0.860 0.203 1.00 64.50 H new ATOM 0 HG22 ILE A 30 17.450 -0.349 1.486 1.00 64.50 H new ATOM 0 HG23 ILE A 30 16.261 -0.649 0.196 1.00 64.50 H new ATOM 0 HD11 ILE A 30 14.409 3.131 -0.615 1.00 34.01 H new ATOM 0 HD12 ILE A 30 15.588 3.415 0.687 1.00 34.01 H new ATOM 0 HD13 ILE A 30 15.991 2.317 -0.654 1.00 34.01 H new ATOM 504 N GLN A 31 16.460 -2.037 3.241 1.00 63.34 N ATOM 505 CA GLN A 31 17.417 -2.710 4.132 1.00 41.42 C ATOM 506 C GLN A 31 18.849 -2.651 3.565 1.00 44.13 C ATOM 507 O GLN A 31 19.103 -3.113 2.450 1.00 25.42 O ATOM 508 CB GLN A 31 16.984 -4.166 4.360 1.00 71.24 C ATOM 509 CG GLN A 31 17.774 -4.889 5.451 1.00 42.12 C ATOM 510 CD GLN A 31 17.194 -6.257 5.785 1.00 31.45 C ATOM 511 OE1 GLN A 31 16.625 -6.928 4.935 1.00 4.44 O ATOM 512 NE2 GLN A 31 17.331 -6.682 7.024 1.00 44.53 N ATOM 0 H GLN A 31 16.250 -2.547 2.383 1.00 63.34 H new ATOM 0 HA GLN A 31 17.421 -2.186 5.088 1.00 41.42 H new ATOM 0 HB2 GLN A 31 15.926 -4.182 4.621 1.00 71.24 H new ATOM 0 HB3 GLN A 31 17.090 -4.716 3.425 1.00 71.24 H new ATOM 0 HG2 GLN A 31 18.809 -5.006 5.128 1.00 42.12 H new ATOM 0 HG3 GLN A 31 17.789 -4.275 6.351 1.00 42.12 H new ATOM 0 HE21 GLN A 31 17.810 -6.101 7.712 1.00 44.53 H new ATOM 0 HE22 GLN A 31 16.958 -7.592 7.295 1.00 44.53 H new ATOM 521 N ASN A 32 19.779 -2.089 4.343 1.00 13.32 N ATOM 522 CA ASN A 32 21.169 -1.894 3.889 1.00 21.12 C ATOM 523 C ASN A 32 21.947 -3.218 3.813 1.00 24.15 C ATOM 524 O ASN A 32 21.516 -4.246 4.342 1.00 51.44 O ATOM 525 CB ASN A 32 21.907 -0.928 4.826 1.00 34.44 C ATOM 526 CG ASN A 32 21.221 0.422 4.940 1.00 21.24 C ATOM 527 OD1 ASN A 32 21.440 1.318 4.130 1.00 21.41 O ATOM 528 ND2 ASN A 32 20.401 0.590 5.958 1.00 45.11 N ATOM 0 H ASN A 32 19.599 -1.759 5.291 1.00 13.32 H new ATOM 0 HA ASN A 32 21.117 -1.473 2.885 1.00 21.12 H new ATOM 0 HB2 ASN A 32 21.982 -1.377 5.817 1.00 34.44 H new ATOM 0 HB3 ASN A 32 22.925 -0.784 4.463 1.00 34.44 H new ATOM 0 HD21 ASN A 32 19.928 1.484 6.090 1.00 45.11 H new ATOM 0 HD22 ASN A 32 20.240 -0.174 6.614 1.00 45.11 H new ATOM 535 N GLU A 33 23.116 -3.173 3.170 1.00 23.33 N ATOM 536 CA GLU A 33 23.995 -4.347 3.045 1.00 35.11 C ATOM 537 C GLU A 33 24.430 -4.879 4.424 1.00 3.42 C ATOM 538 O GLU A 33 24.756 -6.059 4.570 1.00 63.42 O ATOM 539 CB GLU A 33 25.232 -4.000 2.198 1.00 32.42 C ATOM 540 CG GLU A 33 24.958 -3.898 0.694 1.00 5.21 C ATOM 541 CD GLU A 33 23.880 -2.885 0.332 1.00 44.14 C ATOM 542 OE1 GLU A 33 24.107 -1.671 0.517 1.00 54.12 O ATOM 543 OE2 GLU A 33 22.803 -3.298 -0.151 1.00 11.22 O ATOM 0 H GLU A 33 23.481 -2.332 2.724 1.00 23.33 H new ATOM 0 HA GLU A 33 23.428 -5.133 2.547 1.00 35.11 H new ATOM 0 HB2 GLU A 33 25.642 -3.052 2.546 1.00 32.42 H new ATOM 0 HB3 GLU A 33 25.997 -4.758 2.365 1.00 32.42 H new ATOM 0 HG2 GLU A 33 25.883 -3.629 0.183 1.00 5.21 H new ATOM 0 HG3 GLU A 33 24.662 -4.878 0.321 1.00 5.21 H new ATOM 550 N ASP A 34 24.422 -4.004 5.426 1.00 43.32 N ATOM 551 CA ASP A 34 24.747 -4.379 6.808 1.00 13.02 C ATOM 552 C ASP A 34 23.713 -5.360 7.397 1.00 24.41 C ATOM 553 O ASP A 34 23.941 -5.970 8.443 1.00 63.51 O ATOM 554 CB ASP A 34 24.795 -3.120 7.679 1.00 50.04 C ATOM 555 CG ASP A 34 25.731 -2.063 7.122 1.00 1.03 C ATOM 556 OD1 ASP A 34 25.399 -1.467 6.077 1.00 14.51 O ATOM 557 OD2 ASP A 34 26.793 -1.811 7.735 1.00 60.23 O ATOM 0 H ASP A 34 24.192 -3.017 5.308 1.00 43.32 H new ATOM 0 HA ASP A 34 25.717 -4.876 6.797 1.00 13.02 H new ATOM 0 HB2 ASP A 34 23.792 -2.703 7.765 1.00 50.04 H new ATOM 0 HB3 ASP A 34 25.115 -3.390 8.685 1.00 50.04 H new ATOM 562 N GLY A 35 22.568 -5.495 6.728 1.00 74.40 N ATOM 563 CA GLY A 35 21.484 -6.323 7.247 1.00 65.21 C ATOM 564 C GLY A 35 20.527 -5.540 8.143 1.00 11.22 C ATOM 565 O GLY A 35 19.522 -6.074 8.617 1.00 22.20 O ATOM 0 H GLY A 35 22.370 -5.046 5.834 1.00 74.40 H new ATOM 0 HA2 GLY A 35 20.927 -6.751 6.413 1.00 65.21 H new ATOM 0 HA3 GLY A 35 21.905 -7.156 7.811 1.00 65.21 H new ATOM 569 N SER A 36 20.843 -4.269 8.374 1.00 32.23 N ATOM 570 CA SER A 36 20.004 -3.393 9.200 1.00 74.40 C ATOM 571 C SER A 36 19.088 -2.511 8.344 1.00 31.21 C ATOM 572 O SER A 36 19.438 -2.121 7.223 1.00 21.54 O ATOM 573 CB SER A 36 20.873 -2.515 10.106 1.00 60.51 C ATOM 574 OG SER A 36 21.557 -3.298 11.076 1.00 0.41 O ATOM 0 H SER A 36 21.678 -3.817 8.001 1.00 32.23 H new ATOM 0 HA SER A 36 19.374 -4.035 9.816 1.00 74.40 H new ATOM 0 HB2 SER A 36 21.596 -1.967 9.501 1.00 60.51 H new ATOM 0 HB3 SER A 36 20.249 -1.774 10.606 1.00 60.51 H new ATOM 0 HG SER A 36 22.106 -2.714 11.640 1.00 0.41 H new ATOM 580 N VAL A 37 17.916 -2.193 8.886 1.00 5.23 N ATOM 581 CA VAL A 37 16.916 -1.398 8.169 1.00 72.14 C ATOM 582 C VAL A 37 17.320 0.084 8.092 1.00 3.13 C ATOM 583 O VAL A 37 17.875 0.645 9.040 1.00 3.23 O ATOM 584 CB VAL A 37 15.524 -1.531 8.835 1.00 25.21 C ATOM 585 CG1 VAL A 37 14.463 -0.778 8.035 1.00 31.55 C ATOM 586 CG2 VAL A 37 15.153 -3.004 8.988 1.00 25.34 C ATOM 0 H VAL A 37 17.632 -2.474 9.824 1.00 5.23 H new ATOM 0 HA VAL A 37 16.862 -1.789 7.153 1.00 72.14 H new ATOM 0 HB VAL A 37 15.569 -1.082 9.827 1.00 25.21 H new ATOM 0 HG11 VAL A 37 13.494 -0.887 8.523 1.00 31.55 H new ATOM 0 HG12 VAL A 37 14.727 0.278 7.984 1.00 31.55 H new ATOM 0 HG13 VAL A 37 14.409 -1.188 7.026 1.00 31.55 H new ATOM 0 HG21 VAL A 37 14.173 -3.085 9.457 1.00 25.34 H new ATOM 0 HG22 VAL A 37 15.126 -3.476 8.006 1.00 25.34 H new ATOM 0 HG23 VAL A 37 15.896 -3.504 9.610 1.00 25.34 H new ATOM 596 N SER A 38 17.038 0.707 6.955 1.00 74.42 N ATOM 597 CA SER A 38 17.436 2.099 6.697 1.00 42.34 C ATOM 598 C SER A 38 16.362 3.099 7.136 1.00 32.13 C ATOM 599 O SER A 38 15.233 2.722 7.460 1.00 23.32 O ATOM 600 CB SER A 38 17.727 2.306 5.200 1.00 31.33 C ATOM 601 OG SER A 38 18.119 3.644 4.929 1.00 22.44 O ATOM 0 H SER A 38 16.530 0.271 6.185 1.00 74.42 H new ATOM 0 HA SER A 38 18.336 2.282 7.284 1.00 42.34 H new ATOM 0 HB2 SER A 38 18.515 1.623 4.883 1.00 31.33 H new ATOM 0 HB3 SER A 38 16.839 2.060 4.618 1.00 31.33 H new ATOM 0 HG SER A 38 18.299 3.745 3.971 1.00 22.44 H new ATOM 607 N ASP A 39 16.727 4.377 7.137 1.00 73.14 N ATOM 608 CA ASP A 39 15.789 5.458 7.440 1.00 20.14 C ATOM 609 C ASP A 39 14.868 5.737 6.241 1.00 44.13 C ATOM 610 O ASP A 39 13.741 6.209 6.400 1.00 51.30 O ATOM 611 CB ASP A 39 16.564 6.724 7.835 1.00 70.33 C ATOM 612 CG ASP A 39 17.490 7.227 6.737 1.00 1.31 C ATOM 613 OD1 ASP A 39 18.318 6.436 6.233 1.00 64.40 O ATOM 614 OD2 ASP A 39 17.394 8.419 6.370 1.00 12.44 O ATOM 0 H ASP A 39 17.674 4.694 6.930 1.00 73.14 H new ATOM 0 HA ASP A 39 15.162 5.152 8.277 1.00 20.14 H new ATOM 0 HB2 ASP A 39 15.855 7.511 8.092 1.00 70.33 H new ATOM 0 HB3 ASP A 39 17.151 6.519 8.730 1.00 70.33 H new ATOM 619 N GLU A 40 15.362 5.436 5.042 1.00 43.12 N ATOM 620 CA GLU A 40 14.576 5.594 3.814 1.00 13.32 C ATOM 621 C GLU A 40 13.559 4.458 3.634 1.00 21.14 C ATOM 622 O GLU A 40 13.808 3.303 3.994 1.00 30.42 O ATOM 623 CB GLU A 40 15.499 5.676 2.589 1.00 10.33 C ATOM 624 CG GLU A 40 16.127 7.050 2.386 1.00 53.13 C ATOM 625 CD GLU A 40 15.078 8.138 2.199 1.00 5.23 C ATOM 626 OE1 GLU A 40 14.309 8.065 1.216 1.00 30.23 O ATOM 627 OE2 GLU A 40 15.013 9.069 3.030 1.00 63.44 O ATOM 0 H GLU A 40 16.306 5.080 4.891 1.00 43.12 H new ATOM 0 HA GLU A 40 14.019 6.526 3.905 1.00 13.32 H new ATOM 0 HB2 GLU A 40 16.292 4.935 2.692 1.00 10.33 H new ATOM 0 HB3 GLU A 40 14.930 5.411 1.698 1.00 10.33 H new ATOM 0 HG2 GLU A 40 16.751 7.293 3.246 1.00 53.13 H new ATOM 0 HG3 GLU A 40 16.781 7.024 1.514 1.00 53.13 H new ATOM 634 N ILE A 41 12.415 4.799 3.051 1.00 0.10 N ATOM 635 CA ILE A 41 11.317 3.849 2.867 1.00 73.31 C ATOM 636 C ILE A 41 11.305 3.289 1.436 1.00 43.11 C ATOM 637 O ILE A 41 11.639 3.988 0.479 1.00 41.34 O ATOM 638 CB ILE A 41 9.951 4.517 3.176 1.00 43.23 C ATOM 639 CG1 ILE A 41 9.965 5.127 4.590 1.00 3.43 C ATOM 640 CG2 ILE A 41 8.800 3.516 3.031 1.00 25.05 C ATOM 641 CD1 ILE A 41 8.669 5.815 4.976 1.00 71.01 C ATOM 0 H ILE A 41 12.220 5.734 2.694 1.00 0.10 H new ATOM 0 HA ILE A 41 11.476 3.026 3.564 1.00 73.31 H new ATOM 0 HB ILE A 41 9.791 5.315 2.451 1.00 43.23 H new ATOM 0 HG12 ILE A 41 10.176 4.339 5.313 1.00 3.43 H new ATOM 0 HG13 ILE A 41 10.781 5.847 4.656 1.00 3.43 H new ATOM 0 HG21 ILE A 41 7.856 4.013 3.254 1.00 25.05 H new ATOM 0 HG22 ILE A 41 8.777 3.133 2.011 1.00 25.05 H new ATOM 0 HG23 ILE A 41 8.947 2.689 3.725 1.00 25.05 H new ATOM 0 HD11 ILE A 41 8.758 6.219 5.985 1.00 71.01 H new ATOM 0 HD12 ILE A 41 8.466 6.626 4.277 1.00 71.01 H new ATOM 0 HD13 ILE A 41 7.851 5.095 4.944 1.00 71.01 H new ATOM 653 N LYS A 42 10.931 2.020 1.303 1.00 45.21 N ATOM 654 CA LYS A 42 10.823 1.367 -0.004 1.00 12.45 C ATOM 655 C LYS A 42 9.469 1.682 -0.671 1.00 33.11 C ATOM 656 O LYS A 42 9.419 2.226 -1.779 1.00 5.55 O ATOM 657 CB LYS A 42 10.990 -0.154 0.160 1.00 1.35 C ATOM 658 CG LYS A 42 10.867 -0.941 -1.141 1.00 25.20 C ATOM 659 CD LYS A 42 11.979 -0.595 -2.128 1.00 35.43 C ATOM 660 CE LYS A 42 11.800 -1.325 -3.452 1.00 10.32 C ATOM 661 NZ LYS A 42 10.519 -0.963 -4.119 1.00 64.53 N ATOM 0 H LYS A 42 10.695 1.416 2.090 1.00 45.21 H new ATOM 0 HA LYS A 42 11.614 1.752 -0.648 1.00 12.45 H new ATOM 0 HB2 LYS A 42 11.966 -0.355 0.602 1.00 1.35 H new ATOM 0 HB3 LYS A 42 10.240 -0.517 0.863 1.00 1.35 H new ATOM 0 HG2 LYS A 42 10.896 -2.009 -0.923 1.00 25.20 H new ATOM 0 HG3 LYS A 42 9.899 -0.735 -1.599 1.00 25.20 H new ATOM 0 HD2 LYS A 42 11.989 0.481 -2.303 1.00 35.43 H new ATOM 0 HD3 LYS A 42 12.945 -0.856 -1.695 1.00 35.43 H new ATOM 0 HE2 LYS A 42 12.633 -1.087 -4.113 1.00 10.32 H new ATOM 0 HE3 LYS A 42 11.828 -2.401 -3.280 1.00 10.32 H new ATOM 0 HZ1 LYS A 42 10.583 -1.178 -5.134 1.00 64.53 H new ATOM 0 HZ2 LYS A 42 9.741 -1.510 -3.698 1.00 64.53 H new ATOM 0 HZ3 LYS A 42 10.336 0.053 -3.991 1.00 64.53 H new ATOM 675 N GLU A 43 8.376 1.346 0.018 1.00 12.01 N ATOM 676 CA GLU A 43 7.019 1.577 -0.501 1.00 72.22 C ATOM 677 C GLU A 43 5.954 1.370 0.592 1.00 60.51 C ATOM 678 O GLU A 43 6.216 0.742 1.622 1.00 72.10 O ATOM 679 CB GLU A 43 6.751 0.669 -1.716 1.00 54.10 C ATOM 680 CG GLU A 43 6.961 -0.819 -1.454 1.00 55.45 C ATOM 681 CD GLU A 43 7.021 -1.635 -2.740 1.00 3.04 C ATOM 682 OE1 GLU A 43 5.955 -2.020 -3.266 1.00 23.00 O ATOM 683 OE2 GLU A 43 8.140 -1.892 -3.234 1.00 1.42 O ATOM 0 H GLU A 43 8.401 0.911 0.940 1.00 12.01 H new ATOM 0 HA GLU A 43 6.952 2.616 -0.824 1.00 72.22 H new ATOM 0 HB2 GLU A 43 5.725 0.825 -2.050 1.00 54.10 H new ATOM 0 HB3 GLU A 43 7.403 0.976 -2.534 1.00 54.10 H new ATOM 0 HG2 GLU A 43 7.886 -0.959 -0.895 1.00 55.45 H new ATOM 0 HG3 GLU A 43 6.151 -1.192 -0.828 1.00 55.45 H new ATOM 690 N ARG A 44 4.758 1.915 0.372 1.00 70.00 N ATOM 691 CA ARG A 44 3.681 1.869 1.373 1.00 75.31 C ATOM 692 C ARG A 44 2.560 0.897 0.966 1.00 61.42 C ATOM 693 O ARG A 44 1.997 1.003 -0.122 1.00 3.02 O ATOM 694 CB ARG A 44 3.116 3.281 1.591 1.00 1.41 C ATOM 695 CG ARG A 44 4.093 4.215 2.305 1.00 23.11 C ATOM 696 CD ARG A 44 3.549 5.635 2.452 1.00 32.24 C ATOM 697 NE ARG A 44 4.406 6.438 3.325 1.00 40.10 N ATOM 698 CZ ARG A 44 5.272 7.323 2.910 1.00 74.15 C ATOM 699 NH1 ARG A 44 5.344 7.638 1.655 1.00 11.14 N ATOM 700 NH2 ARG A 44 6.048 7.912 3.762 1.00 64.42 N ATOM 0 H ARG A 44 4.505 2.396 -0.491 1.00 70.00 H new ATOM 0 HA ARG A 44 4.104 1.499 2.307 1.00 75.31 H new ATOM 0 HB2 ARG A 44 2.850 3.712 0.626 1.00 1.41 H new ATOM 0 HB3 ARG A 44 2.197 3.212 2.173 1.00 1.41 H new ATOM 0 HG2 ARG A 44 4.318 3.812 3.293 1.00 23.11 H new ATOM 0 HG3 ARG A 44 5.031 4.245 1.751 1.00 23.11 H new ATOM 0 HD2 ARG A 44 3.481 6.105 1.471 1.00 32.24 H new ATOM 0 HD3 ARG A 44 2.539 5.601 2.860 1.00 32.24 H new ATOM 0 HE ARG A 44 4.321 6.296 4.331 1.00 40.10 H new ATOM 0 HH11 ARG A 44 4.721 7.193 0.981 1.00 11.14 H new ATOM 0 HH12 ARG A 44 6.024 8.331 1.341 1.00 11.14 H new ATOM 0 HH21 ARG A 44 5.982 7.684 4.754 1.00 64.42 H new ATOM 0 HH22 ARG A 44 6.726 8.604 3.441 1.00 64.42 H new ATOM 714 N THR A 45 2.240 -0.040 1.860 1.00 11.50 N ATOM 715 CA THR A 45 1.235 -1.084 1.591 1.00 70.13 C ATOM 716 C THR A 45 -0.071 -0.849 2.375 1.00 13.10 C ATOM 717 O THR A 45 -0.066 -0.802 3.610 1.00 42.15 O ATOM 718 CB THR A 45 1.791 -2.484 1.958 1.00 31.54 C ATOM 719 OG1 THR A 45 3.018 -2.728 1.257 1.00 52.44 O ATOM 720 CG2 THR A 45 0.794 -3.586 1.618 1.00 3.03 C ATOM 0 H THR A 45 2.663 -0.102 2.786 1.00 11.50 H new ATOM 0 HA THR A 45 1.013 -1.036 0.525 1.00 70.13 H new ATOM 0 HB THR A 45 1.969 -2.495 3.033 1.00 31.54 H new ATOM 0 HG1 THR A 45 2.829 -2.865 0.305 1.00 52.44 H new ATOM 0 HG21 THR A 45 1.216 -4.554 1.888 1.00 3.03 H new ATOM 0 HG22 THR A 45 -0.130 -3.425 2.174 1.00 3.03 H new ATOM 0 HG23 THR A 45 0.582 -3.568 0.549 1.00 3.03 H new ATOM 728 N TYR A 46 -1.187 -0.716 1.653 1.00 50.44 N ATOM 729 CA TYR A 46 -2.509 -0.490 2.265 1.00 22.12 C ATOM 730 C TYR A 46 -3.416 -1.729 2.152 1.00 62.44 C ATOM 731 O TYR A 46 -3.286 -2.524 1.220 1.00 23.52 O ATOM 732 CB TYR A 46 -3.207 0.703 1.596 1.00 11.11 C ATOM 733 CG TYR A 46 -2.459 2.014 1.732 1.00 53.42 C ATOM 734 CD1 TYR A 46 -1.493 2.385 0.803 1.00 75.32 C ATOM 735 CD2 TYR A 46 -2.721 2.884 2.784 1.00 34.43 C ATOM 736 CE1 TYR A 46 -0.811 3.580 0.921 1.00 71.25 C ATOM 737 CE2 TYR A 46 -2.045 4.080 2.905 1.00 13.34 C ATOM 738 CZ TYR A 46 -1.091 4.424 1.971 1.00 32.45 C ATOM 739 OH TYR A 46 -0.418 5.618 2.085 1.00 0.41 O ATOM 0 H TYR A 46 -1.205 -0.761 0.634 1.00 50.44 H new ATOM 0 HA TYR A 46 -2.341 -0.283 3.322 1.00 22.12 H new ATOM 0 HB2 TYR A 46 -3.343 0.483 0.537 1.00 11.11 H new ATOM 0 HB3 TYR A 46 -4.201 0.818 2.028 1.00 11.11 H new ATOM 0 HD1 TYR A 46 -1.272 1.727 -0.025 1.00 75.32 H new ATOM 0 HD2 TYR A 46 -3.467 2.619 3.519 1.00 34.43 H new ATOM 0 HE1 TYR A 46 -0.061 3.851 0.192 1.00 71.25 H new ATOM 0 HE2 TYR A 46 -2.262 4.745 3.728 1.00 13.34 H new ATOM 0 HH TYR A 46 -0.171 5.941 1.193 1.00 0.41 H new ATOM 749 N ASP A 47 -4.349 -1.867 3.098 1.00 42.14 N ATOM 750 CA ASP A 47 -5.330 -2.966 3.090 1.00 60.34 C ATOM 751 C ASP A 47 -6.684 -2.549 2.491 1.00 73.44 C ATOM 752 O ASP A 47 -7.425 -1.755 3.083 1.00 44.15 O ATOM 753 CB ASP A 47 -5.537 -3.498 4.512 1.00 61.43 C ATOM 754 CG ASP A 47 -4.473 -4.494 4.913 1.00 34.44 C ATOM 755 OD1 ASP A 47 -4.269 -5.468 4.162 1.00 52.02 O ATOM 756 OD2 ASP A 47 -3.837 -4.315 5.969 1.00 12.24 O ATOM 0 H ASP A 47 -4.449 -1.228 3.887 1.00 42.14 H new ATOM 0 HA ASP A 47 -4.921 -3.750 2.453 1.00 60.34 H new ATOM 0 HB2 ASP A 47 -5.533 -2.664 5.214 1.00 61.43 H new ATOM 0 HB3 ASP A 47 -6.517 -3.969 4.582 1.00 61.43 H new ATOM 761 N LEU A 48 -7.002 -3.106 1.322 1.00 60.21 N ATOM 762 CA LEU A 48 -8.305 -2.895 0.679 1.00 41.00 C ATOM 763 C LEU A 48 -9.091 -4.217 0.616 1.00 64.05 C ATOM 764 O LEU A 48 -8.568 -5.240 0.168 1.00 50.44 O ATOM 765 CB LEU A 48 -8.119 -2.321 -0.735 1.00 14.12 C ATOM 766 CG LEU A 48 -7.264 -1.045 -0.826 1.00 3.32 C ATOM 767 CD1 LEU A 48 -7.267 -0.489 -2.249 1.00 64.01 C ATOM 768 CD2 LEU A 48 -7.747 0.010 0.167 1.00 2.23 C ATOM 0 H LEU A 48 -6.372 -3.711 0.796 1.00 60.21 H new ATOM 0 HA LEU A 48 -8.872 -2.179 1.274 1.00 41.00 H new ATOM 0 HB2 LEU A 48 -7.664 -3.088 -1.362 1.00 14.12 H new ATOM 0 HB3 LEU A 48 -9.103 -2.109 -1.154 1.00 14.12 H new ATOM 0 HG LEU A 48 -6.239 -1.309 -0.566 1.00 3.32 H new ATOM 0 HD11 LEU A 48 -6.656 0.413 -2.289 1.00 64.01 H new ATOM 0 HD12 LEU A 48 -6.859 -1.234 -2.932 1.00 64.01 H new ATOM 0 HD13 LEU A 48 -8.289 -0.248 -2.543 1.00 64.01 H new ATOM 0 HD21 LEU A 48 -7.126 0.901 0.082 1.00 2.23 H new ATOM 0 HD22 LEU A 48 -8.783 0.268 -0.051 1.00 2.23 H new ATOM 0 HD23 LEU A 48 -7.677 -0.385 1.180 1.00 2.23 H new ATOM 780 N LYS A 49 -10.338 -4.204 1.085 1.00 71.43 N ATOM 781 CA LYS A 49 -11.162 -5.424 1.121 1.00 40.00 C ATOM 782 C LYS A 49 -12.449 -5.264 0.288 1.00 31.44 C ATOM 783 O LYS A 49 -13.027 -4.177 0.216 1.00 23.40 O ATOM 784 CB LYS A 49 -11.533 -5.797 2.572 1.00 54.04 C ATOM 785 CG LYS A 49 -10.355 -6.193 3.476 1.00 11.11 C ATOM 786 CD LYS A 49 -9.494 -4.995 3.877 1.00 40.32 C ATOM 787 CE LYS A 49 -8.498 -5.339 4.984 1.00 44.34 C ATOM 788 NZ LYS A 49 -7.492 -6.355 4.565 1.00 0.34 N ATOM 0 H LYS A 49 -10.803 -3.370 1.445 1.00 71.43 H new ATOM 0 HA LYS A 49 -10.564 -6.225 0.686 1.00 40.00 H new ATOM 0 HB2 LYS A 49 -12.048 -4.950 3.026 1.00 54.04 H new ATOM 0 HB3 LYS A 49 -12.242 -6.624 2.546 1.00 54.04 H new ATOM 0 HG2 LYS A 49 -10.738 -6.678 4.374 1.00 11.11 H new ATOM 0 HG3 LYS A 49 -9.735 -6.925 2.959 1.00 11.11 H new ATOM 0 HD2 LYS A 49 -8.952 -4.632 3.004 1.00 40.32 H new ATOM 0 HD3 LYS A 49 -10.139 -4.183 4.212 1.00 40.32 H new ATOM 0 HE2 LYS A 49 -7.982 -4.431 5.296 1.00 44.34 H new ATOM 0 HE3 LYS A 49 -9.042 -5.711 5.852 1.00 44.34 H new ATOM 0 HZ1 LYS A 49 -6.844 -6.548 5.355 1.00 0.34 H new ATOM 0 HZ2 LYS A 49 -7.978 -7.233 4.293 1.00 0.34 H new ATOM 0 HZ3 LYS A 49 -6.951 -5.994 3.754 1.00 0.34 H new ATOM 802 N SER A 50 -12.889 -6.361 -0.333 1.00 5.43 N ATOM 803 CA SER A 50 -14.144 -6.382 -1.107 1.00 12.41 C ATOM 804 C SER A 50 -15.195 -7.268 -0.421 1.00 71.03 C ATOM 805 O SER A 50 -14.910 -8.409 -0.049 1.00 74.03 O ATOM 806 CB SER A 50 -13.888 -6.895 -2.533 1.00 51.24 C ATOM 807 OG SER A 50 -13.344 -8.208 -2.523 1.00 4.44 O ATOM 0 H SER A 50 -12.395 -7.254 -0.318 1.00 5.43 H new ATOM 0 HA SER A 50 -14.524 -5.361 -1.157 1.00 12.41 H new ATOM 0 HB2 SER A 50 -14.822 -6.891 -3.096 1.00 51.24 H new ATOM 0 HB3 SER A 50 -13.203 -6.220 -3.046 1.00 51.24 H new ATOM 0 HG SER A 50 -12.502 -8.209 -2.022 1.00 4.44 H new ATOM 813 N LYS A 51 -16.414 -6.745 -0.261 1.00 54.52 N ATOM 814 CA LYS A 51 -17.487 -7.475 0.435 1.00 64.12 C ATOM 815 C LYS A 51 -18.193 -8.477 -0.495 1.00 51.21 C ATOM 816 O LYS A 51 -17.982 -8.470 -1.713 1.00 64.54 O ATOM 817 CB LYS A 51 -18.500 -6.488 1.058 1.00 74.10 C ATOM 818 CG LYS A 51 -19.224 -5.568 0.068 1.00 11.24 C ATOM 819 CD LYS A 51 -20.383 -6.261 -0.652 1.00 24.25 C ATOM 820 CE LYS A 51 -21.152 -5.301 -1.549 1.00 21.30 C ATOM 821 NZ LYS A 51 -20.280 -4.660 -2.568 1.00 71.45 N ATOM 0 H LYS A 51 -16.686 -5.823 -0.601 1.00 54.52 H new ATOM 0 HA LYS A 51 -17.027 -8.051 1.238 1.00 64.12 H new ATOM 0 HB2 LYS A 51 -19.247 -7.061 1.607 1.00 74.10 H new ATOM 0 HB3 LYS A 51 -17.976 -5.868 1.785 1.00 74.10 H new ATOM 0 HG2 LYS A 51 -19.604 -4.696 0.601 1.00 11.24 H new ATOM 0 HG3 LYS A 51 -18.510 -5.204 -0.671 1.00 11.24 H new ATOM 0 HD2 LYS A 51 -19.997 -7.086 -1.251 1.00 24.25 H new ATOM 0 HD3 LYS A 51 -21.062 -6.692 0.084 1.00 24.25 H new ATOM 0 HE2 LYS A 51 -21.956 -5.840 -2.050 1.00 21.30 H new ATOM 0 HE3 LYS A 51 -21.619 -4.530 -0.936 1.00 21.30 H new ATOM 0 HZ1 LYS A 51 -20.863 -4.095 -3.218 1.00 71.45 H new ATOM 0 HZ2 LYS A 51 -19.590 -4.042 -2.095 1.00 71.45 H new ATOM 0 HZ3 LYS A 51 -19.776 -5.394 -3.105 1.00 71.45 H new ATOM 835 N GLY A 52 -19.033 -9.334 0.088 1.00 11.14 N ATOM 836 CA GLY A 52 -19.768 -10.325 -0.693 1.00 71.50 C ATOM 837 C GLY A 52 -18.882 -11.464 -1.182 1.00 40.43 C ATOM 838 O GLY A 52 -18.931 -12.578 -0.651 1.00 1.23 O ATOM 0 H GLY A 52 -19.219 -9.361 1.091 1.00 11.14 H new ATOM 0 HA2 GLY A 52 -20.576 -10.734 -0.086 1.00 71.50 H new ATOM 0 HA3 GLY A 52 -20.230 -9.836 -1.551 1.00 71.50 H new ATOM 842 N GLN A 53 -18.065 -11.181 -2.197 1.00 61.35 N ATOM 843 CA GLN A 53 -17.078 -12.139 -2.697 1.00 1.02 C ATOM 844 C GLN A 53 -16.013 -12.422 -1.618 1.00 41.31 C ATOM 845 O GLN A 53 -15.431 -13.506 -1.566 1.00 32.14 O ATOM 846 CB GLN A 53 -16.432 -11.596 -3.985 1.00 73.23 C ATOM 847 CG GLN A 53 -15.427 -12.537 -4.648 1.00 3.34 C ATOM 848 CD GLN A 53 -15.998 -13.916 -4.953 1.00 24.23 C ATOM 849 OE1 GLN A 53 -15.877 -14.840 -4.157 1.00 10.15 O ATOM 850 NE2 GLN A 53 -16.630 -14.063 -6.100 1.00 4.14 N ATOM 0 H GLN A 53 -18.068 -10.289 -2.692 1.00 61.35 H new ATOM 0 HA GLN A 53 -17.576 -13.080 -2.931 1.00 1.02 H new ATOM 0 HB2 GLN A 53 -17.221 -11.368 -4.701 1.00 73.23 H new ATOM 0 HB3 GLN A 53 -15.930 -10.656 -3.754 1.00 73.23 H new ATOM 0 HG2 GLN A 53 -15.074 -12.085 -5.575 1.00 3.34 H new ATOM 0 HG3 GLN A 53 -14.560 -12.647 -3.997 1.00 3.34 H new ATOM 0 HE21 GLN A 53 -16.714 -13.274 -6.741 1.00 4.14 H new ATOM 0 HE22 GLN A 53 -17.036 -14.966 -6.347 1.00 4.14 H new ATOM 859 N GLY A 54 -15.777 -11.429 -0.758 1.00 4.12 N ATOM 860 CA GLY A 54 -14.906 -11.614 0.399 1.00 65.31 C ATOM 861 C GLY A 54 -13.440 -11.853 0.050 1.00 64.32 C ATOM 862 O GLY A 54 -12.834 -12.821 0.512 1.00 50.43 O ATOM 0 H GLY A 54 -16.176 -10.494 -0.842 1.00 4.12 H new ATOM 0 HA2 GLY A 54 -14.976 -10.733 1.037 1.00 65.31 H new ATOM 0 HA3 GLY A 54 -15.271 -12.459 0.982 1.00 65.31 H new ATOM 866 N ARG A 55 -12.859 -10.972 -0.759 1.00 62.01 N ATOM 867 CA ARG A 55 -11.443 -11.087 -1.130 1.00 2.43 C ATOM 868 C ARG A 55 -10.664 -9.820 -0.747 1.00 12.34 C ATOM 869 O ARG A 55 -11.125 -8.697 -0.965 1.00 62.34 O ATOM 870 CB ARG A 55 -11.302 -11.393 -2.630 1.00 40.11 C ATOM 871 CG ARG A 55 -11.995 -12.691 -3.042 1.00 63.30 C ATOM 872 CD ARG A 55 -11.712 -13.078 -4.491 1.00 40.42 C ATOM 873 NE ARG A 55 -12.452 -14.281 -4.879 1.00 10.01 N ATOM 874 CZ ARG A 55 -11.907 -15.368 -5.356 1.00 64.44 C ATOM 875 NH1 ARG A 55 -10.623 -15.451 -5.513 1.00 33.23 N ATOM 876 NH2 ARG A 55 -12.654 -16.374 -5.672 1.00 24.54 N ATOM 0 H ARG A 55 -13.340 -10.172 -1.171 1.00 62.01 H new ATOM 0 HA ARG A 55 -11.012 -11.918 -0.571 1.00 2.43 H new ATOM 0 HB2 ARG A 55 -11.720 -10.566 -3.205 1.00 40.11 H new ATOM 0 HB3 ARG A 55 -10.244 -11.456 -2.885 1.00 40.11 H new ATOM 0 HG2 ARG A 55 -11.668 -13.497 -2.385 1.00 63.30 H new ATOM 0 HG3 ARG A 55 -13.071 -12.583 -2.903 1.00 63.30 H new ATOM 0 HD2 ARG A 55 -11.985 -12.253 -5.149 1.00 40.42 H new ATOM 0 HD3 ARG A 55 -10.643 -13.249 -4.621 1.00 40.42 H new ATOM 0 HE ARG A 55 -13.466 -14.269 -4.769 1.00 10.01 H new ATOM 0 HH11 ARG A 55 -10.027 -14.662 -5.263 1.00 33.23 H new ATOM 0 HH12 ARG A 55 -10.209 -16.305 -5.886 1.00 33.23 H new ATOM 0 HH21 ARG A 55 -13.665 -16.317 -5.549 1.00 24.54 H new ATOM 0 HH22 ARG A 55 -12.233 -17.225 -6.045 1.00 24.54 H new ATOM 890 N MET A 56 -9.483 -10.013 -0.165 1.00 32.13 N ATOM 891 CA MET A 56 -8.654 -8.905 0.324 1.00 53.21 C ATOM 892 C MET A 56 -7.377 -8.743 -0.516 1.00 24.25 C ATOM 893 O MET A 56 -6.769 -9.728 -0.933 1.00 61.14 O ATOM 894 CB MET A 56 -8.298 -9.136 1.799 1.00 1.01 C ATOM 895 CG MET A 56 -7.706 -10.513 2.084 1.00 53.54 C ATOM 896 SD MET A 56 -7.444 -10.795 3.844 1.00 61.13 S ATOM 897 CE MET A 56 -6.908 -12.508 3.847 1.00 63.12 C ATOM 0 H MET A 56 -9.072 -10.935 -0.018 1.00 32.13 H new ATOM 0 HA MET A 56 -9.228 -7.983 0.230 1.00 53.21 H new ATOM 0 HB2 MET A 56 -7.586 -8.373 2.115 1.00 1.01 H new ATOM 0 HB3 MET A 56 -9.195 -9.005 2.404 1.00 1.01 H new ATOM 0 HG2 MET A 56 -8.372 -11.281 1.691 1.00 53.54 H new ATOM 0 HG3 MET A 56 -6.757 -10.614 1.557 1.00 53.54 H new ATOM 0 HE1 MET A 56 -7.547 -13.088 4.513 1.00 63.12 H new ATOM 0 HE2 MET A 56 -6.975 -12.912 2.837 1.00 63.12 H new ATOM 0 HE3 MET A 56 -5.876 -12.566 4.193 1.00 63.12 H new ATOM 907 N ILE A 57 -6.988 -7.491 -0.759 1.00 1.12 N ATOM 908 CA ILE A 57 -5.797 -7.175 -1.558 1.00 5.53 C ATOM 909 C ILE A 57 -4.927 -6.106 -0.877 1.00 33.21 C ATOM 910 O ILE A 57 -5.439 -5.119 -0.338 1.00 4.23 O ATOM 911 CB ILE A 57 -6.192 -6.670 -2.977 1.00 33.22 C ATOM 912 CG1 ILE A 57 -7.163 -5.475 -2.875 1.00 53.21 C ATOM 913 CG2 ILE A 57 -6.812 -7.803 -3.794 1.00 52.33 C ATOM 914 CD1 ILE A 57 -7.602 -4.912 -4.213 1.00 72.03 C ATOM 0 H ILE A 57 -7.484 -6.670 -0.411 1.00 1.12 H new ATOM 0 HA ILE A 57 -5.225 -8.098 -1.645 1.00 5.53 H new ATOM 0 HB ILE A 57 -5.290 -6.334 -3.488 1.00 33.22 H new ATOM 0 HG12 ILE A 57 -8.046 -5.786 -2.317 1.00 53.21 H new ATOM 0 HG13 ILE A 57 -6.686 -4.682 -2.299 1.00 53.21 H new ATOM 0 HG21 ILE A 57 -7.082 -7.433 -4.783 1.00 52.33 H new ATOM 0 HG22 ILE A 57 -6.092 -8.615 -3.895 1.00 52.33 H new ATOM 0 HG23 ILE A 57 -7.705 -8.170 -3.288 1.00 52.33 H new ATOM 0 HD11 ILE A 57 -8.282 -4.076 -4.050 1.00 72.03 H new ATOM 0 HD12 ILE A 57 -6.729 -4.567 -4.767 1.00 72.03 H new ATOM 0 HD13 ILE A 57 -8.111 -5.688 -4.785 1.00 72.03 H new ATOM 926 N GLN A 58 -3.610 -6.308 -0.894 1.00 2.42 N ATOM 927 CA GLN A 58 -2.669 -5.312 -0.372 1.00 62.20 C ATOM 928 C GLN A 58 -2.090 -4.462 -1.507 1.00 54.13 C ATOM 929 O GLN A 58 -1.355 -4.963 -2.357 1.00 11.22 O ATOM 930 CB GLN A 58 -1.517 -5.978 0.391 1.00 54.30 C ATOM 931 CG GLN A 58 -1.943 -6.803 1.597 1.00 40.43 C ATOM 932 CD GLN A 58 -2.441 -8.191 1.227 1.00 73.51 C ATOM 933 OE1 GLN A 58 -3.626 -8.400 0.988 1.00 70.44 O ATOM 934 NE2 GLN A 58 -1.534 -9.146 1.174 1.00 73.34 N ATOM 0 H GLN A 58 -3.169 -7.151 -1.263 1.00 2.42 H new ATOM 0 HA GLN A 58 -3.226 -4.673 0.314 1.00 62.20 H new ATOM 0 HB2 GLN A 58 -0.969 -6.622 -0.297 1.00 54.30 H new ATOM 0 HB3 GLN A 58 -0.825 -5.204 0.724 1.00 54.30 H new ATOM 0 HG2 GLN A 58 -1.100 -6.897 2.281 1.00 40.43 H new ATOM 0 HG3 GLN A 58 -2.730 -6.272 2.132 1.00 40.43 H new ATOM 0 HE21 GLN A 58 -0.558 -8.934 1.379 1.00 73.34 H new ATOM 0 HE22 GLN A 58 -1.809 -10.097 0.928 1.00 73.34 H new ATOM 943 N VAL A 59 -2.412 -3.176 -1.515 1.00 42.23 N ATOM 944 CA VAL A 59 -1.929 -2.270 -2.560 1.00 62.14 C ATOM 945 C VAL A 59 -0.653 -1.534 -2.124 1.00 40.23 C ATOM 946 O VAL A 59 -0.657 -0.796 -1.138 1.00 10.41 O ATOM 947 CB VAL A 59 -3.016 -1.244 -2.959 1.00 13.51 C ATOM 948 CG1 VAL A 59 -2.495 -0.284 -4.031 1.00 44.43 C ATOM 949 CG2 VAL A 59 -4.276 -1.961 -3.439 1.00 62.01 C ATOM 0 H VAL A 59 -3.004 -2.732 -0.813 1.00 42.23 H new ATOM 0 HA VAL A 59 -1.692 -2.885 -3.428 1.00 62.14 H new ATOM 0 HB VAL A 59 -3.270 -0.655 -2.077 1.00 13.51 H new ATOM 0 HG11 VAL A 59 -3.278 0.427 -4.294 1.00 44.43 H new ATOM 0 HG12 VAL A 59 -1.629 0.255 -3.647 1.00 44.43 H new ATOM 0 HG13 VAL A 59 -2.206 -0.850 -4.917 1.00 44.43 H new ATOM 0 HG21 VAL A 59 -5.031 -1.225 -3.716 1.00 62.01 H new ATOM 0 HG22 VAL A 59 -4.036 -2.578 -4.305 1.00 62.01 H new ATOM 0 HG23 VAL A 59 -4.662 -2.593 -2.639 1.00 62.01 H new ATOM 959 N SER A 60 0.434 -1.739 -2.867 1.00 53.13 N ATOM 960 CA SER A 60 1.733 -1.131 -2.536 1.00 23.51 C ATOM 961 C SER A 60 2.114 -0.018 -3.526 1.00 34.14 C ATOM 962 O SER A 60 2.343 -0.273 -4.712 1.00 45.31 O ATOM 963 CB SER A 60 2.840 -2.197 -2.518 1.00 13.25 C ATOM 964 OG SER A 60 2.603 -3.186 -1.526 1.00 12.32 O ATOM 0 H SER A 60 0.446 -2.321 -3.704 1.00 53.13 H new ATOM 0 HA SER A 60 1.634 -0.688 -1.545 1.00 23.51 H new ATOM 0 HB2 SER A 60 2.903 -2.672 -3.497 1.00 13.25 H new ATOM 0 HB3 SER A 60 3.802 -1.719 -2.333 1.00 13.25 H new ATOM 0 HG SER A 60 3.326 -3.848 -1.545 1.00 12.32 H new ATOM 970 N ILE A 61 2.184 1.213 -3.025 1.00 61.42 N ATOM 971 CA ILE A 61 2.576 2.374 -3.838 1.00 74.03 C ATOM 972 C ILE A 61 3.987 2.868 -3.456 1.00 41.52 C ATOM 973 O ILE A 61 4.433 2.660 -2.325 1.00 12.20 O ATOM 974 CB ILE A 61 1.563 3.541 -3.676 1.00 22.41 C ATOM 975 CG1 ILE A 61 1.462 3.965 -2.200 1.00 2.31 C ATOM 976 CG2 ILE A 61 0.190 3.146 -4.225 1.00 12.23 C ATOM 977 CD1 ILE A 61 0.512 5.118 -1.957 1.00 74.30 C ATOM 0 H ILE A 61 1.974 1.439 -2.053 1.00 61.42 H new ATOM 0 HA ILE A 61 2.581 2.050 -4.879 1.00 74.03 H new ATOM 0 HB ILE A 61 1.924 4.393 -4.252 1.00 22.41 H new ATOM 0 HG12 ILE A 61 1.138 3.109 -1.608 1.00 2.31 H new ATOM 0 HG13 ILE A 61 2.454 4.243 -1.843 1.00 2.31 H new ATOM 0 HG21 ILE A 61 -0.504 3.977 -4.102 1.00 12.23 H new ATOM 0 HG22 ILE A 61 0.278 2.901 -5.283 1.00 12.23 H new ATOM 0 HG23 ILE A 61 -0.183 2.278 -3.681 1.00 12.23 H new ATOM 0 HD11 ILE A 61 0.496 5.358 -0.894 1.00 74.30 H new ATOM 0 HD12 ILE A 61 0.846 5.989 -2.521 1.00 74.30 H new ATOM 0 HD13 ILE A 61 -0.490 4.838 -2.281 1.00 74.30 H new ATOM 989 N PRO A 62 4.714 3.530 -4.387 1.00 14.14 N ATOM 990 CA PRO A 62 6.083 4.033 -4.126 1.00 34.42 C ATOM 991 C PRO A 62 6.177 4.946 -2.883 1.00 41.21 C ATOM 992 O PRO A 62 5.253 5.700 -2.574 1.00 60.33 O ATOM 993 CB PRO A 62 6.433 4.814 -5.414 1.00 42.52 C ATOM 994 CG PRO A 62 5.133 5.024 -6.117 1.00 52.35 C ATOM 995 CD PRO A 62 4.275 3.843 -5.759 1.00 43.11 C ATOM 0 HA PRO A 62 6.770 3.216 -3.905 1.00 34.42 H new ATOM 0 HB2 PRO A 62 6.910 5.765 -5.179 1.00 42.52 H new ATOM 0 HB3 PRO A 62 7.130 4.253 -6.036 1.00 42.52 H new ATOM 0 HG2 PRO A 62 4.665 5.957 -5.802 1.00 52.35 H new ATOM 0 HG3 PRO A 62 5.278 5.089 -7.195 1.00 52.35 H new ATOM 0 HD2 PRO A 62 3.213 4.086 -5.799 1.00 43.11 H new ATOM 0 HD3 PRO A 62 4.436 3.005 -6.437 1.00 43.11 H new ATOM 1003 N ALA A 63 7.318 4.886 -2.187 1.00 72.12 N ATOM 1004 CA ALA A 63 7.519 5.624 -0.928 1.00 10.52 C ATOM 1005 C ALA A 63 7.470 7.149 -1.108 1.00 43.13 C ATOM 1006 O ALA A 63 7.284 7.890 -0.140 1.00 54.14 O ATOM 1007 CB ALA A 63 8.847 5.223 -0.304 1.00 11.51 C ATOM 0 H ALA A 63 8.124 4.330 -2.475 1.00 72.12 H new ATOM 0 HA ALA A 63 6.693 5.357 -0.269 1.00 10.52 H new ATOM 0 HB1 ALA A 63 8.992 5.771 0.627 1.00 11.51 H new ATOM 0 HB2 ALA A 63 8.844 4.153 -0.098 1.00 11.51 H new ATOM 0 HB3 ALA A 63 9.658 5.458 -0.993 1.00 11.51 H new ATOM 1013 N SER A 64 7.655 7.617 -2.339 1.00 73.12 N ATOM 1014 CA SER A 64 7.577 9.055 -2.640 1.00 24.35 C ATOM 1015 C SER A 64 6.138 9.579 -2.504 1.00 14.34 C ATOM 1016 O SER A 64 5.911 10.783 -2.367 1.00 33.53 O ATOM 1017 CB SER A 64 8.105 9.336 -4.054 1.00 33.31 C ATOM 1018 OG SER A 64 8.111 10.728 -4.336 1.00 13.12 O ATOM 0 H SER A 64 7.860 7.029 -3.147 1.00 73.12 H new ATOM 0 HA SER A 64 8.200 9.579 -1.915 1.00 24.35 H new ATOM 0 HB2 SER A 64 9.115 8.939 -4.153 1.00 33.31 H new ATOM 0 HB3 SER A 64 7.485 8.817 -4.786 1.00 33.31 H new ATOM 0 HG SER A 64 8.453 10.877 -5.242 1.00 13.12 H new ATOM 1024 N VAL A 65 5.170 8.667 -2.543 1.00 42.22 N ATOM 1025 CA VAL A 65 3.755 9.021 -2.381 1.00 73.11 C ATOM 1026 C VAL A 65 3.361 9.039 -0.892 1.00 12.22 C ATOM 1027 O VAL A 65 3.594 8.063 -0.172 1.00 60.51 O ATOM 1028 CB VAL A 65 2.840 8.031 -3.148 1.00 4.14 C ATOM 1029 CG1 VAL A 65 1.379 8.476 -3.091 1.00 53.34 C ATOM 1030 CG2 VAL A 65 3.309 7.882 -4.596 1.00 74.14 C ATOM 0 H VAL A 65 5.337 7.671 -2.686 1.00 42.22 H new ATOM 0 HA VAL A 65 3.619 10.019 -2.797 1.00 73.11 H new ATOM 0 HB VAL A 65 2.909 7.058 -2.662 1.00 4.14 H new ATOM 0 HG11 VAL A 65 0.760 7.764 -3.637 1.00 53.34 H new ATOM 0 HG12 VAL A 65 1.052 8.519 -2.052 1.00 53.34 H new ATOM 0 HG13 VAL A 65 1.281 9.463 -3.543 1.00 53.34 H new ATOM 0 HG21 VAL A 65 2.656 7.184 -5.120 1.00 74.14 H new ATOM 0 HG22 VAL A 65 3.275 8.852 -5.091 1.00 74.14 H new ATOM 0 HG23 VAL A 65 4.331 7.503 -4.610 1.00 74.14 H new ATOM 1040 N PRO A 66 2.763 10.150 -0.409 1.00 72.23 N ATOM 1041 CA PRO A 66 2.412 10.313 1.020 1.00 5.24 C ATOM 1042 C PRO A 66 1.314 9.345 1.508 1.00 13.52 C ATOM 1043 O PRO A 66 0.759 8.562 0.736 1.00 21.42 O ATOM 1044 CB PRO A 66 1.931 11.772 1.103 1.00 42.13 C ATOM 1045 CG PRO A 66 1.462 12.088 -0.276 1.00 25.32 C ATOM 1046 CD PRO A 66 2.380 11.336 -1.205 1.00 4.30 C ATOM 0 HA PRO A 66 3.262 10.085 1.663 1.00 5.24 H new ATOM 0 HB2 PRO A 66 1.128 11.885 1.831 1.00 42.13 H new ATOM 0 HB3 PRO A 66 2.736 12.439 1.411 1.00 42.13 H new ATOM 0 HG2 PRO A 66 0.426 11.780 -0.417 1.00 25.32 H new ATOM 0 HG3 PRO A 66 1.505 13.160 -0.467 1.00 25.32 H new ATOM 0 HD2 PRO A 66 1.876 11.055 -2.130 1.00 4.30 H new ATOM 0 HD3 PRO A 66 3.249 11.932 -1.484 1.00 4.30 H new ATOM 1054 N LEU A 67 0.998 9.430 2.802 1.00 12.45 N ATOM 1055 CA LEU A 67 0.038 8.523 3.446 1.00 34.51 C ATOM 1056 C LEU A 67 -1.419 8.936 3.166 1.00 34.10 C ATOM 1057 O LEU A 67 -1.807 10.081 3.403 1.00 10.01 O ATOM 1058 CB LEU A 67 0.293 8.499 4.964 1.00 51.32 C ATOM 1059 CG LEU A 67 -0.584 7.528 5.774 1.00 21.05 C ATOM 1060 CD1 LEU A 67 -0.317 6.087 5.358 1.00 53.05 C ATOM 1061 CD2 LEU A 67 -0.346 7.706 7.275 1.00 63.42 C ATOM 0 H LEU A 67 1.397 10.125 3.433 1.00 12.45 H new ATOM 0 HA LEU A 67 0.183 7.527 3.027 1.00 34.51 H new ATOM 0 HB2 LEU A 67 1.339 8.243 5.134 1.00 51.32 H new ATOM 0 HB3 LEU A 67 0.144 9.506 5.355 1.00 51.32 H new ATOM 0 HG LEU A 67 -1.628 7.758 5.564 1.00 21.05 H new ATOM 0 HD11 LEU A 67 -0.947 5.417 5.943 1.00 53.05 H new ATOM 0 HD12 LEU A 67 -0.544 5.966 4.299 1.00 53.05 H new ATOM 0 HD13 LEU A 67 0.731 5.846 5.535 1.00 53.05 H new ATOM 0 HD21 LEU A 67 -0.976 7.010 7.828 1.00 63.42 H new ATOM 0 HD22 LEU A 67 0.701 7.508 7.503 1.00 63.42 H new ATOM 0 HD23 LEU A 67 -0.593 8.727 7.564 1.00 63.42 H new ATOM 1073 N LYS A 68 -2.221 7.998 2.660 1.00 62.43 N ATOM 1074 CA LYS A 68 -3.651 8.246 2.427 1.00 60.14 C ATOM 1075 C LYS A 68 -4.469 8.106 3.716 1.00 22.32 C ATOM 1076 O LYS A 68 -4.471 7.055 4.360 1.00 75.42 O ATOM 1077 CB LYS A 68 -4.218 7.288 1.373 1.00 14.21 C ATOM 1078 CG LYS A 68 -3.859 7.632 -0.072 1.00 22.43 C ATOM 1079 CD LYS A 68 -2.366 7.525 -0.355 1.00 2.15 C ATOM 1080 CE LYS A 68 -2.067 7.728 -1.837 1.00 11.14 C ATOM 1081 NZ LYS A 68 -2.534 9.048 -2.338 1.00 44.32 N ATOM 0 H LYS A 68 -1.909 7.061 2.403 1.00 62.43 H new ATOM 0 HA LYS A 68 -3.731 9.271 2.066 1.00 60.14 H new ATOM 0 HB2 LYS A 68 -3.862 6.281 1.590 1.00 14.21 H new ATOM 0 HB3 LYS A 68 -5.304 7.269 1.467 1.00 14.21 H new ATOM 0 HG2 LYS A 68 -4.399 6.965 -0.744 1.00 22.43 H new ATOM 0 HG3 LYS A 68 -4.193 8.646 -0.292 1.00 22.43 H new ATOM 0 HD2 LYS A 68 -1.828 8.269 0.232 1.00 2.15 H new ATOM 0 HD3 LYS A 68 -2.003 6.547 -0.039 1.00 2.15 H new ATOM 0 HE2 LYS A 68 -0.993 7.640 -2.003 1.00 11.14 H new ATOM 0 HE3 LYS A 68 -2.545 6.935 -2.412 1.00 11.14 H new ATOM 0 HZ1 LYS A 68 -2.204 9.185 -3.315 1.00 44.32 H new ATOM 0 HZ2 LYS A 68 -3.573 9.080 -2.316 1.00 44.32 H new ATOM 0 HZ3 LYS A 68 -2.152 9.804 -1.734 1.00 44.32 H new ATOM 1095 N GLU A 69 -5.183 9.165 4.074 1.00 4.44 N ATOM 1096 CA GLU A 69 -6.029 9.171 5.267 1.00 25.30 C ATOM 1097 C GLU A 69 -7.509 8.967 4.897 1.00 20.11 C ATOM 1098 O GLU A 69 -8.293 9.920 4.852 1.00 42.31 O ATOM 1099 CB GLU A 69 -5.844 10.494 6.012 1.00 14.44 C ATOM 1100 CG GLU A 69 -4.406 10.768 6.434 1.00 21.44 C ATOM 1101 CD GLU A 69 -4.224 12.157 7.027 1.00 24.10 C ATOM 1102 OE1 GLU A 69 -4.303 13.145 6.263 1.00 15.32 O ATOM 1103 OE2 GLU A 69 -4.006 12.268 8.248 1.00 33.21 O ATOM 0 H GLU A 69 -5.195 10.041 3.551 1.00 4.44 H new ATOM 0 HA GLU A 69 -5.732 8.345 5.913 1.00 25.30 H new ATOM 0 HB2 GLU A 69 -6.187 11.309 5.375 1.00 14.44 H new ATOM 0 HB3 GLU A 69 -6.479 10.493 6.898 1.00 14.44 H new ATOM 0 HG2 GLU A 69 -4.098 10.021 7.166 1.00 21.44 H new ATOM 0 HG3 GLU A 69 -3.751 10.657 5.570 1.00 21.44 H new ATOM 1110 N PHE A 70 -7.877 7.727 4.594 1.00 33.32 N ATOM 1111 CA PHE A 70 -9.263 7.398 4.234 1.00 61.44 C ATOM 1112 C PHE A 70 -10.108 7.020 5.465 1.00 12.21 C ATOM 1113 O PHE A 70 -9.665 7.153 6.607 1.00 33.10 O ATOM 1114 CB PHE A 70 -9.289 6.254 3.210 1.00 30.11 C ATOM 1115 CG PHE A 70 -8.628 6.587 1.895 1.00 13.32 C ATOM 1116 CD1 PHE A 70 -8.890 7.791 1.257 1.00 64.33 C ATOM 1117 CD2 PHE A 70 -7.751 5.694 1.294 1.00 73.25 C ATOM 1118 CE1 PHE A 70 -8.292 8.097 0.051 1.00 40.12 C ATOM 1119 CE2 PHE A 70 -7.152 5.995 0.087 1.00 31.43 C ATOM 1120 CZ PHE A 70 -7.424 7.198 -0.537 1.00 53.20 C ATOM 0 H PHE A 70 -7.240 6.930 4.589 1.00 33.32 H new ATOM 0 HA PHE A 70 -9.704 8.292 3.794 1.00 61.44 H new ATOM 0 HB2 PHE A 70 -8.796 5.383 3.642 1.00 30.11 H new ATOM 0 HB3 PHE A 70 -10.325 5.973 3.022 1.00 30.11 H new ATOM 0 HD1 PHE A 70 -9.570 8.497 1.709 1.00 64.33 H new ATOM 0 HD2 PHE A 70 -7.535 4.752 1.777 1.00 73.25 H new ATOM 0 HE1 PHE A 70 -8.503 9.039 -0.433 1.00 40.12 H new ATOM 0 HE2 PHE A 70 -6.472 5.291 -0.369 1.00 31.43 H new ATOM 0 HZ PHE A 70 -6.959 7.434 -1.482 1.00 53.20 H new ATOM 1130 N ASP A 71 -11.333 6.558 5.220 1.00 70.23 N ATOM 1131 CA ASP A 71 -12.260 6.182 6.297 1.00 1.35 C ATOM 1132 C ASP A 71 -12.630 4.686 6.224 1.00 5.14 C ATOM 1133 O ASP A 71 -12.453 4.041 5.190 1.00 64.32 O ATOM 1134 CB ASP A 71 -13.514 7.065 6.211 1.00 44.32 C ATOM 1135 CG ASP A 71 -14.532 6.772 7.301 1.00 4.13 C ATOM 1136 OD1 ASP A 71 -14.129 6.606 8.472 1.00 72.44 O ATOM 1137 OD2 ASP A 71 -15.738 6.704 6.993 1.00 11.32 O ATOM 0 H ASP A 71 -11.712 6.433 4.281 1.00 70.23 H new ATOM 0 HA ASP A 71 -11.771 6.342 7.258 1.00 1.35 H new ATOM 0 HB2 ASP A 71 -13.217 8.112 6.273 1.00 44.32 H new ATOM 0 HB3 ASP A 71 -13.983 6.923 5.238 1.00 44.32 H new ATOM 1142 N TYR A 72 -13.141 4.142 7.328 1.00 62.02 N ATOM 1143 CA TYR A 72 -13.525 2.725 7.390 1.00 33.41 C ATOM 1144 C TYR A 72 -14.650 2.406 6.386 1.00 30.33 C ATOM 1145 O TYR A 72 -15.708 3.042 6.397 1.00 43.01 O ATOM 1146 CB TYR A 72 -13.951 2.361 8.822 1.00 51.21 C ATOM 1147 CG TYR A 72 -14.243 0.883 9.032 1.00 70.33 C ATOM 1148 CD1 TYR A 72 -13.355 -0.097 8.592 1.00 34.41 C ATOM 1149 CD2 TYR A 72 -15.401 0.470 9.682 1.00 34.43 C ATOM 1150 CE1 TYR A 72 -13.617 -1.441 8.792 1.00 20.14 C ATOM 1151 CE2 TYR A 72 -15.669 -0.870 9.886 1.00 64.01 C ATOM 1152 CZ TYR A 72 -14.776 -1.821 9.440 1.00 21.31 C ATOM 1153 OH TYR A 72 -15.042 -3.158 9.643 1.00 31.21 O ATOM 0 H TYR A 72 -13.300 4.658 8.193 1.00 62.02 H new ATOM 0 HA TYR A 72 -12.660 2.121 7.114 1.00 33.41 H new ATOM 0 HB2 TYR A 72 -13.163 2.665 9.511 1.00 51.21 H new ATOM 0 HB3 TYR A 72 -14.840 2.935 9.081 1.00 51.21 H new ATOM 0 HD1 TYR A 72 -12.447 0.197 8.086 1.00 34.41 H new ATOM 0 HD2 TYR A 72 -16.104 1.211 10.034 1.00 34.43 H new ATOM 0 HE1 TYR A 72 -12.919 -2.188 8.444 1.00 20.14 H new ATOM 0 HE2 TYR A 72 -16.574 -1.171 10.393 1.00 64.01 H new ATOM 0 HH TYR A 72 -15.896 -3.254 10.114 1.00 31.21 H new ATOM 1163 N ASN A 73 -14.402 1.426 5.516 1.00 34.23 N ATOM 1164 CA ASN A 73 -15.347 1.032 4.452 1.00 64.22 C ATOM 1165 C ASN A 73 -15.515 2.117 3.374 1.00 25.41 C ATOM 1166 O ASN A 73 -16.444 2.055 2.567 1.00 20.24 O ATOM 1167 CB ASN A 73 -16.724 0.639 5.012 1.00 12.05 C ATOM 1168 CG ASN A 73 -16.735 -0.769 5.572 1.00 73.21 C ATOM 1169 OD1 ASN A 73 -16.907 -1.735 4.836 1.00 62.11 O ATOM 1170 ND2 ASN A 73 -16.580 -0.897 6.870 1.00 65.13 N ATOM 0 H ASN A 73 -13.542 0.878 5.523 1.00 34.23 H new ATOM 0 HA ASN A 73 -14.901 0.156 3.982 1.00 64.22 H new ATOM 0 HB2 ASN A 73 -17.010 1.342 5.795 1.00 12.05 H new ATOM 0 HB3 ASN A 73 -17.472 0.720 4.223 1.00 12.05 H new ATOM 0 HD21 ASN A 73 -16.601 -1.823 7.297 1.00 65.13 H new ATOM 0 HD22 ASN A 73 -16.439 -0.070 7.451 1.00 65.13 H new ATOM 1177 N ALA A 74 -14.610 3.096 3.345 1.00 12.43 N ATOM 1178 CA ALA A 74 -14.641 4.138 2.311 1.00 22.33 C ATOM 1179 C ALA A 74 -14.241 3.565 0.945 1.00 31.45 C ATOM 1180 O ALA A 74 -13.175 2.959 0.808 1.00 1.54 O ATOM 1181 CB ALA A 74 -13.720 5.297 2.688 1.00 3.42 C ATOM 0 H ALA A 74 -13.851 3.192 4.019 1.00 12.43 H new ATOM 0 HA ALA A 74 -15.662 4.512 2.241 1.00 22.33 H new ATOM 0 HB1 ALA A 74 -13.757 6.059 1.909 1.00 3.42 H new ATOM 0 HB2 ALA A 74 -14.047 5.729 3.634 1.00 3.42 H new ATOM 0 HB3 ALA A 74 -12.698 4.931 2.790 1.00 3.42 H new ATOM 1187 N ARG A 75 -15.102 3.744 -0.055 1.00 24.32 N ATOM 1188 CA ARG A 75 -14.822 3.266 -1.412 1.00 53.04 C ATOM 1189 C ARG A 75 -13.593 3.964 -2.013 1.00 52.15 C ATOM 1190 O ARG A 75 -13.550 5.190 -2.125 1.00 54.15 O ATOM 1191 CB ARG A 75 -16.038 3.480 -2.321 1.00 44.33 C ATOM 1192 CG ARG A 75 -17.201 2.529 -2.040 1.00 54.33 C ATOM 1193 CD ARG A 75 -18.375 2.775 -2.984 1.00 4.33 C ATOM 1194 NE ARG A 75 -19.414 1.758 -2.846 1.00 4.32 N ATOM 1195 CZ ARG A 75 -20.490 1.699 -3.582 1.00 31.33 C ATOM 1196 NH1 ARG A 75 -20.734 2.600 -4.473 1.00 23.23 N ATOM 1197 NH2 ARG A 75 -21.329 0.735 -3.411 1.00 11.14 N ATOM 0 H ARG A 75 -16.000 4.216 0.047 1.00 24.32 H new ATOM 0 HA ARG A 75 -14.609 2.199 -1.344 1.00 53.04 H new ATOM 0 HB2 ARG A 75 -16.387 4.507 -2.208 1.00 44.33 H new ATOM 0 HB3 ARG A 75 -15.728 3.361 -3.359 1.00 44.33 H new ATOM 0 HG2 ARG A 75 -16.861 1.499 -2.144 1.00 54.33 H new ATOM 0 HG3 ARG A 75 -17.531 2.654 -1.009 1.00 54.33 H new ATOM 0 HD2 ARG A 75 -18.801 3.758 -2.783 1.00 4.33 H new ATOM 0 HD3 ARG A 75 -18.016 2.788 -4.013 1.00 4.33 H new ATOM 0 HE ARG A 75 -19.290 1.046 -2.126 1.00 4.32 H new ATOM 0 HH11 ARG A 75 -20.081 3.372 -4.610 1.00 23.23 H new ATOM 0 HH12 ARG A 75 -21.579 2.540 -5.041 1.00 23.23 H new ATOM 0 HH21 ARG A 75 -21.150 0.023 -2.703 1.00 11.14 H new ATOM 0 HH22 ARG A 75 -22.171 0.685 -3.984 1.00 11.14 H new ATOM 1211 N VAL A 76 -12.601 3.171 -2.405 1.00 34.11 N ATOM 1212 CA VAL A 76 -11.374 3.695 -3.009 1.00 1.34 C ATOM 1213 C VAL A 76 -11.088 3.025 -4.363 1.00 10.33 C ATOM 1214 O VAL A 76 -11.292 1.821 -4.534 1.00 74.40 O ATOM 1215 CB VAL A 76 -10.158 3.492 -2.068 1.00 1.34 C ATOM 1216 CG1 VAL A 76 -10.324 4.298 -0.782 1.00 10.52 C ATOM 1217 CG2 VAL A 76 -9.962 2.011 -1.750 1.00 65.34 C ATOM 0 H VAL A 76 -12.621 2.155 -2.316 1.00 34.11 H new ATOM 0 HA VAL A 76 -11.527 4.762 -3.169 1.00 1.34 H new ATOM 0 HB VAL A 76 -9.269 3.854 -2.584 1.00 1.34 H new ATOM 0 HG11 VAL A 76 -9.459 4.139 -0.139 1.00 10.52 H new ATOM 0 HG12 VAL A 76 -10.406 5.357 -1.025 1.00 10.52 H new ATOM 0 HG13 VAL A 76 -11.226 3.974 -0.263 1.00 10.52 H new ATOM 0 HG21 VAL A 76 -9.104 1.891 -1.089 1.00 65.34 H new ATOM 0 HG22 VAL A 76 -10.855 1.623 -1.260 1.00 65.34 H new ATOM 0 HG23 VAL A 76 -9.787 1.460 -2.674 1.00 65.34 H new ATOM 1227 N GLU A 77 -10.627 3.814 -5.328 1.00 33.24 N ATOM 1228 CA GLU A 77 -10.268 3.291 -6.649 1.00 40.24 C ATOM 1229 C GLU A 77 -8.801 3.594 -6.984 1.00 73.11 C ATOM 1230 O GLU A 77 -8.220 4.568 -6.497 1.00 42.14 O ATOM 1231 CB GLU A 77 -11.195 3.863 -7.734 1.00 63.23 C ATOM 1232 CG GLU A 77 -11.131 5.382 -7.886 1.00 71.55 C ATOM 1233 CD GLU A 77 -12.013 5.891 -9.020 1.00 4.34 C ATOM 1234 OE1 GLU A 77 -11.596 5.791 -10.194 1.00 14.54 O ATOM 1235 OE2 GLU A 77 -13.130 6.384 -8.747 1.00 23.11 O ATOM 0 H GLU A 77 -10.492 4.820 -5.224 1.00 33.24 H new ATOM 0 HA GLU A 77 -10.394 2.209 -6.623 1.00 40.24 H new ATOM 0 HB2 GLU A 77 -10.941 3.404 -8.690 1.00 63.23 H new ATOM 0 HB3 GLU A 77 -12.221 3.576 -7.505 1.00 63.23 H new ATOM 0 HG2 GLU A 77 -11.439 5.851 -6.952 1.00 71.55 H new ATOM 0 HG3 GLU A 77 -10.099 5.683 -8.069 1.00 71.55 H new ATOM 1242 N LEU A 78 -8.209 2.745 -7.817 1.00 54.11 N ATOM 1243 CA LEU A 78 -6.803 2.883 -8.196 1.00 15.32 C ATOM 1244 C LEU A 78 -6.658 3.516 -9.586 1.00 11.32 C ATOM 1245 O LEU A 78 -7.482 3.285 -10.472 1.00 63.42 O ATOM 1246 CB LEU A 78 -6.121 1.507 -8.173 1.00 34.41 C ATOM 1247 CG LEU A 78 -6.166 0.778 -6.818 1.00 53.14 C ATOM 1248 CD1 LEU A 78 -5.520 -0.605 -6.911 1.00 1.35 C ATOM 1249 CD2 LEU A 78 -5.488 1.621 -5.738 1.00 35.34 C ATOM 0 H LEU A 78 -8.682 1.949 -8.246 1.00 54.11 H new ATOM 0 HA LEU A 78 -6.320 3.542 -7.475 1.00 15.32 H new ATOM 0 HB2 LEU A 78 -6.591 0.873 -8.925 1.00 34.41 H new ATOM 0 HB3 LEU A 78 -5.079 1.630 -8.467 1.00 34.41 H new ATOM 0 HG LEU A 78 -7.212 0.637 -6.544 1.00 53.14 H new ATOM 0 HD11 LEU A 78 -5.567 -1.095 -5.938 1.00 1.35 H new ATOM 0 HD12 LEU A 78 -6.053 -1.207 -7.647 1.00 1.35 H new ATOM 0 HD13 LEU A 78 -4.478 -0.500 -7.214 1.00 1.35 H new ATOM 0 HD21 LEU A 78 -5.528 1.092 -4.786 1.00 35.34 H new ATOM 0 HD22 LEU A 78 -4.448 1.796 -6.013 1.00 35.34 H new ATOM 0 HD23 LEU A 78 -6.004 2.576 -5.645 1.00 35.34 H new ATOM 1261 N ILE A 79 -5.610 4.318 -9.769 1.00 2.32 N ATOM 1262 CA ILE A 79 -5.321 4.917 -11.075 1.00 10.11 C ATOM 1263 C ILE A 79 -4.716 3.869 -12.033 1.00 20.25 C ATOM 1264 O ILE A 79 -5.374 3.430 -12.975 1.00 61.43 O ATOM 1265 CB ILE A 79 -4.370 6.146 -10.946 1.00 72.11 C ATOM 1266 CG1 ILE A 79 -5.099 7.348 -10.306 1.00 2.12 C ATOM 1267 CG2 ILE A 79 -3.799 6.537 -12.310 1.00 74.02 C ATOM 1268 CD1 ILE A 79 -5.543 7.134 -8.872 1.00 11.32 C ATOM 0 H ILE A 79 -4.948 4.568 -9.034 1.00 2.32 H new ATOM 0 HA ILE A 79 -6.266 5.269 -11.490 1.00 10.11 H new ATOM 0 HB ILE A 79 -3.545 5.860 -10.294 1.00 72.11 H new ATOM 0 HG12 ILE A 79 -4.440 8.215 -10.342 1.00 2.12 H new ATOM 0 HG13 ILE A 79 -5.974 7.588 -10.910 1.00 2.12 H new ATOM 0 HG21 ILE A 79 -3.139 7.397 -12.195 1.00 74.02 H new ATOM 0 HG22 ILE A 79 -3.236 5.700 -12.722 1.00 74.02 H new ATOM 0 HG23 ILE A 79 -4.615 6.794 -12.986 1.00 74.02 H new ATOM 0 HD11 ILE A 79 -6.045 8.031 -8.509 1.00 11.32 H new ATOM 0 HD12 ILE A 79 -6.231 6.290 -8.826 1.00 11.32 H new ATOM 0 HD13 ILE A 79 -4.673 6.927 -8.249 1.00 11.32 H new ATOM 1280 N ASN A 80 -3.468 3.459 -11.779 1.00 4.45 N ATOM 1281 CA ASN A 80 -2.808 2.421 -12.590 1.00 44.11 C ATOM 1282 C ASN A 80 -2.348 1.235 -11.722 1.00 72.42 C ATOM 1283 O ASN A 80 -1.217 1.216 -11.229 1.00 14.44 O ATOM 1284 CB ASN A 80 -1.610 3.012 -13.350 1.00 30.50 C ATOM 1285 CG ASN A 80 -2.026 4.017 -14.411 1.00 3.15 C ATOM 1286 OD1 ASN A 80 -3.103 3.921 -14.989 1.00 41.02 O ATOM 1287 ND2 ASN A 80 -1.177 4.987 -14.683 1.00 1.21 N ATOM 0 H ASN A 80 -2.893 3.827 -11.021 1.00 4.45 H new ATOM 0 HA ASN A 80 -3.539 2.051 -13.309 1.00 44.11 H new ATOM 0 HB2 ASN A 80 -0.938 3.496 -12.641 1.00 30.50 H new ATOM 0 HB3 ASN A 80 -1.049 2.204 -13.821 1.00 30.50 H new ATOM 0 HD21 ASN A 80 -1.409 5.684 -15.391 1.00 1.21 H new ATOM 0 HD22 ASN A 80 -0.288 5.041 -14.186 1.00 1.21 H new ATOM 1294 N PRO A 81 -3.244 0.257 -11.475 1.00 43.35 N ATOM 1295 CA PRO A 81 -2.910 -0.966 -10.722 1.00 60.32 C ATOM 1296 C PRO A 81 -2.234 -2.052 -11.582 1.00 33.23 C ATOM 1297 O PRO A 81 -2.480 -2.150 -12.785 1.00 11.42 O ATOM 1298 CB PRO A 81 -4.285 -1.438 -10.250 1.00 1.01 C ATOM 1299 CG PRO A 81 -5.215 -1.024 -11.341 1.00 23.13 C ATOM 1300 CD PRO A 81 -4.662 0.266 -11.902 1.00 44.34 C ATOM 0 HA PRO A 81 -2.190 -0.773 -9.927 1.00 60.32 H new ATOM 0 HB2 PRO A 81 -4.304 -2.517 -10.100 1.00 1.01 H new ATOM 0 HB3 PRO A 81 -4.558 -0.979 -9.300 1.00 1.01 H new ATOM 0 HG2 PRO A 81 -5.274 -1.791 -12.114 1.00 23.13 H new ATOM 0 HG3 PRO A 81 -6.225 -0.880 -10.957 1.00 23.13 H new ATOM 0 HD2 PRO A 81 -4.753 0.302 -12.988 1.00 44.34 H new ATOM 0 HD3 PRO A 81 -5.193 1.133 -11.509 1.00 44.34 H new ATOM 1308 N ILE A 82 -1.381 -2.864 -10.954 1.00 73.11 N ATOM 1309 CA ILE A 82 -0.798 -4.050 -11.598 1.00 63.22 C ATOM 1310 C ILE A 82 -0.713 -5.222 -10.602 1.00 32.44 C ATOM 1311 O ILE A 82 -0.268 -5.056 -9.463 1.00 34.43 O ATOM 1312 CB ILE A 82 0.619 -3.784 -12.193 1.00 2.44 C ATOM 1313 CG1 ILE A 82 1.583 -3.261 -11.111 1.00 21.24 C ATOM 1314 CG2 ILE A 82 0.542 -2.812 -13.371 1.00 51.43 C ATOM 1315 CD1 ILE A 82 3.003 -3.052 -11.600 1.00 22.54 C ATOM 0 H ILE A 82 -1.075 -2.722 -9.991 1.00 73.11 H new ATOM 0 HA ILE A 82 -1.463 -4.304 -12.423 1.00 63.22 H new ATOM 0 HB ILE A 82 1.011 -4.732 -12.562 1.00 2.44 H new ATOM 0 HG12 ILE A 82 1.200 -2.317 -10.723 1.00 21.24 H new ATOM 0 HG13 ILE A 82 1.596 -3.965 -10.279 1.00 21.24 H new ATOM 0 HG21 ILE A 82 1.543 -2.642 -13.769 1.00 51.43 H new ATOM 0 HG22 ILE A 82 -0.092 -3.235 -14.151 1.00 51.43 H new ATOM 0 HG23 ILE A 82 0.120 -1.865 -13.034 1.00 51.43 H new ATOM 0 HD11 ILE A 82 3.620 -2.683 -10.780 1.00 22.54 H new ATOM 0 HD12 ILE A 82 3.407 -3.998 -11.960 1.00 22.54 H new ATOM 0 HD13 ILE A 82 3.005 -2.324 -12.411 1.00 22.54 H new ATOM 1327 N ALA A 83 -1.160 -6.399 -11.029 1.00 1.14 N ATOM 1328 CA ALA A 83 -1.113 -7.600 -10.185 1.00 61.24 C ATOM 1329 C ALA A 83 0.298 -8.206 -10.170 1.00 32.04 C ATOM 1330 O ALA A 83 0.861 -8.500 -11.228 1.00 64.03 O ATOM 1331 CB ALA A 83 -2.126 -8.628 -10.681 1.00 51.53 C ATOM 0 H ALA A 83 -1.560 -6.552 -11.955 1.00 1.14 H new ATOM 0 HA ALA A 83 -1.369 -7.313 -9.165 1.00 61.24 H new ATOM 0 HB1 ALA A 83 -2.084 -9.515 -10.049 1.00 51.53 H new ATOM 0 HB2 ALA A 83 -3.128 -8.201 -10.640 1.00 51.53 H new ATOM 0 HB3 ALA A 83 -1.891 -8.904 -11.709 1.00 51.53 H new ATOM 1337 N ASP A 84 0.870 -8.391 -8.977 1.00 73.41 N ATOM 1338 CA ASP A 84 2.229 -8.922 -8.866 1.00 64.52 C ATOM 1339 C ASP A 84 2.232 -10.459 -8.949 1.00 42.10 C ATOM 1340 O ASP A 84 1.578 -11.142 -8.157 1.00 44.45 O ATOM 1341 CB ASP A 84 2.889 -8.463 -7.560 1.00 3.11 C ATOM 1342 CG ASP A 84 4.383 -8.757 -7.548 1.00 60.03 C ATOM 1343 OD1 ASP A 84 4.759 -9.939 -7.386 1.00 40.43 O ATOM 1344 OD2 ASP A 84 5.183 -7.812 -7.721 1.00 12.11 O ATOM 0 H ASP A 84 0.419 -8.184 -8.086 1.00 73.41 H new ATOM 0 HA ASP A 84 2.806 -8.531 -9.704 1.00 64.52 H new ATOM 0 HB2 ASP A 84 2.728 -7.393 -7.428 1.00 3.11 H new ATOM 0 HB3 ASP A 84 2.413 -8.964 -6.717 1.00 3.11 H new ATOM 1349 N THR A 85 2.959 -10.990 -9.927 1.00 52.02 N ATOM 1350 CA THR A 85 3.090 -12.442 -10.105 1.00 52.45 C ATOM 1351 C THR A 85 4.524 -12.919 -9.837 1.00 71.42 C ATOM 1352 O THR A 85 4.811 -14.117 -9.900 1.00 45.44 O ATOM 1353 CB THR A 85 2.691 -12.864 -11.535 1.00 34.45 C ATOM 1354 OG1 THR A 85 3.524 -12.190 -12.491 1.00 4.32 O ATOM 1355 CG2 THR A 85 1.226 -12.538 -11.814 1.00 55.21 C ATOM 0 H THR A 85 3.471 -10.438 -10.615 1.00 52.02 H new ATOM 0 HA THR A 85 2.418 -12.905 -9.383 1.00 52.45 H new ATOM 0 HB THR A 85 2.827 -13.942 -11.623 1.00 34.45 H new ATOM 0 HG1 THR A 85 3.268 -12.462 -13.397 1.00 4.32 H new ATOM 0 HG21 THR A 85 0.972 -12.846 -12.828 1.00 55.21 H new ATOM 0 HG22 THR A 85 0.593 -13.070 -11.104 1.00 55.21 H new ATOM 0 HG23 THR A 85 1.066 -11.465 -11.709 1.00 55.21 H new ATOM 1363 N VAL A 86 5.418 -11.982 -9.515 1.00 32.35 N ATOM 1364 CA VAL A 86 6.843 -12.297 -9.330 1.00 12.11 C ATOM 1365 C VAL A 86 7.180 -12.612 -7.866 1.00 64.12 C ATOM 1366 O VAL A 86 8.254 -13.136 -7.567 1.00 61.41 O ATOM 1367 CB VAL A 86 7.760 -11.151 -9.836 1.00 2.14 C ATOM 1368 CG1 VAL A 86 7.522 -10.882 -11.318 1.00 74.11 C ATOM 1369 CG2 VAL A 86 7.560 -9.878 -9.017 1.00 30.15 C ATOM 0 H VAL A 86 5.184 -10.999 -9.376 1.00 32.35 H new ATOM 0 HA VAL A 86 7.032 -13.188 -9.929 1.00 12.11 H new ATOM 0 HB VAL A 86 8.794 -11.471 -9.707 1.00 2.14 H new ATOM 0 HG11 VAL A 86 8.175 -10.075 -11.651 1.00 74.11 H new ATOM 0 HG12 VAL A 86 7.738 -11.784 -11.891 1.00 74.11 H new ATOM 0 HG13 VAL A 86 6.482 -10.594 -11.473 1.00 74.11 H new ATOM 0 HG21 VAL A 86 8.216 -9.095 -9.396 1.00 30.15 H new ATOM 0 HG22 VAL A 86 6.523 -9.553 -9.097 1.00 30.15 H new ATOM 0 HG23 VAL A 86 7.798 -10.076 -7.972 1.00 30.15 H new ATOM 1379 N ALA A 87 6.263 -12.294 -6.957 1.00 21.25 N ATOM 1380 CA ALA A 87 6.426 -12.632 -5.536 1.00 5.42 C ATOM 1381 C ALA A 87 6.301 -14.148 -5.283 1.00 3.14 C ATOM 1382 O ALA A 87 6.492 -14.623 -4.163 1.00 30.43 O ATOM 1383 CB ALA A 87 5.404 -11.871 -4.699 1.00 42.40 C ATOM 0 H ALA A 87 5.396 -11.802 -7.174 1.00 21.25 H new ATOM 0 HA ALA A 87 7.432 -12.336 -5.240 1.00 5.42 H new ATOM 0 HB1 ALA A 87 5.532 -12.127 -3.647 1.00 42.40 H new ATOM 0 HB2 ALA A 87 5.551 -10.799 -4.832 1.00 42.40 H new ATOM 0 HB3 ALA A 87 4.398 -12.142 -5.019 1.00 42.40 H new ATOM 1389 N THR A 88 5.987 -14.899 -6.340 1.00 34.35 N ATOM 1390 CA THR A 88 5.849 -16.363 -6.270 1.00 15.23 C ATOM 1391 C THR A 88 7.216 -17.075 -6.207 1.00 0.14 C ATOM 1392 O THR A 88 7.448 -18.065 -6.906 1.00 31.14 O ATOM 1393 CB THR A 88 5.062 -16.892 -7.498 1.00 40.41 C ATOM 1394 OG1 THR A 88 5.667 -16.414 -8.716 1.00 10.11 O ATOM 1395 CG2 THR A 88 3.602 -16.453 -7.448 1.00 3.13 C ATOM 0 H THR A 88 5.820 -14.514 -7.270 1.00 34.35 H new ATOM 0 HA THR A 88 5.305 -16.584 -5.352 1.00 15.23 H new ATOM 0 HB THR A 88 5.096 -17.981 -7.475 1.00 40.41 H new ATOM 0 HG1 THR A 88 5.310 -15.527 -8.932 1.00 10.11 H new ATOM 0 HG21 THR A 88 3.076 -16.839 -8.321 1.00 3.13 H new ATOM 0 HG22 THR A 88 3.136 -16.842 -6.543 1.00 3.13 H new ATOM 0 HG23 THR A 88 3.549 -15.364 -7.444 1.00 3.13 H new ATOM 1403 N ALA A 89 8.106 -16.592 -5.344 1.00 22.15 N ATOM 1404 CA ALA A 89 9.446 -17.171 -5.208 1.00 11.42 C ATOM 1405 C ALA A 89 9.944 -17.109 -3.755 1.00 13.02 C ATOM 1406 O ALA A 89 10.309 -16.039 -3.265 1.00 4.44 O ATOM 1407 CB ALA A 89 10.423 -16.455 -6.136 1.00 12.11 C ATOM 0 H ALA A 89 7.926 -15.800 -4.726 1.00 22.15 H new ATOM 0 HA ALA A 89 9.388 -18.222 -5.492 1.00 11.42 H new ATOM 0 HB1 ALA A 89 11.415 -16.893 -6.027 1.00 12.11 H new ATOM 0 HB2 ALA A 89 10.090 -16.563 -7.168 1.00 12.11 H new ATOM 0 HB3 ALA A 89 10.463 -15.397 -5.876 1.00 12.11 H new ATOM 1413 N THR A 90 9.922 -18.257 -3.069 1.00 65.10 N ATOM 1414 CA THR A 90 10.404 -18.377 -1.672 1.00 70.52 C ATOM 1415 C THR A 90 9.453 -17.726 -0.646 1.00 53.12 C ATOM 1416 O THR A 90 9.164 -18.315 0.396 1.00 24.41 O ATOM 1417 CB THR A 90 11.827 -17.774 -1.475 1.00 34.42 C ATOM 1418 OG1 THR A 90 12.778 -18.421 -2.339 1.00 55.55 O ATOM 1419 CG2 THR A 90 12.293 -17.909 -0.026 1.00 15.11 C ATOM 0 H THR A 90 9.572 -19.133 -3.458 1.00 65.10 H new ATOM 0 HA THR A 90 10.438 -19.451 -1.490 1.00 70.52 H new ATOM 0 HB THR A 90 11.767 -16.716 -1.728 1.00 34.42 H new ATOM 0 HG1 THR A 90 13.665 -18.028 -2.202 1.00 55.55 H new ATOM 0 HG21 THR A 90 13.289 -17.479 0.077 1.00 15.11 H new ATOM 0 HG22 THR A 90 11.600 -17.382 0.630 1.00 15.11 H new ATOM 0 HG23 THR A 90 12.323 -18.963 0.250 1.00 15.11 H new ATOM 1427 N TYR A 91 8.983 -16.515 -0.937 1.00 55.25 N ATOM 1428 CA TYR A 91 8.181 -15.728 0.012 1.00 22.52 C ATOM 1429 C TYR A 91 6.926 -16.476 0.501 1.00 62.53 C ATOM 1430 O TYR A 91 6.648 -16.518 1.702 1.00 52.10 O ATOM 1431 CB TYR A 91 7.767 -14.396 -0.630 1.00 14.42 C ATOM 1432 CG TYR A 91 8.927 -13.594 -1.200 1.00 75.34 C ATOM 1433 CD1 TYR A 91 10.064 -13.331 -0.439 1.00 24.23 C ATOM 1434 CD2 TYR A 91 8.881 -13.098 -2.501 1.00 73.14 C ATOM 1435 CE1 TYR A 91 11.115 -12.599 -0.959 1.00 42.30 C ATOM 1436 CE2 TYR A 91 9.930 -12.366 -3.024 1.00 52.15 C ATOM 1437 CZ TYR A 91 11.044 -12.120 -2.249 1.00 23.31 C ATOM 1438 OH TYR A 91 12.090 -11.388 -2.769 1.00 44.12 O ATOM 0 H TYR A 91 9.143 -16.049 -1.830 1.00 55.25 H new ATOM 0 HA TYR A 91 8.811 -15.549 0.884 1.00 22.52 H new ATOM 0 HB2 TYR A 91 7.051 -14.596 -1.427 1.00 14.42 H new ATOM 0 HB3 TYR A 91 7.252 -13.790 0.116 1.00 14.42 H new ATOM 0 HD1 TYR A 91 10.125 -13.705 0.572 1.00 24.23 H new ATOM 0 HD2 TYR A 91 8.011 -13.289 -3.111 1.00 73.14 H new ATOM 0 HE1 TYR A 91 11.989 -12.403 -0.356 1.00 42.30 H new ATOM 0 HE2 TYR A 91 9.878 -11.988 -4.035 1.00 52.15 H new ATOM 0 HH TYR A 91 11.881 -11.127 -3.690 1.00 44.12 H new ATOM 1448 N GLN A 92 6.168 -17.061 -0.424 1.00 12.44 N ATOM 1449 CA GLN A 92 4.909 -17.726 -0.068 1.00 33.21 C ATOM 1450 C GLN A 92 4.651 -18.954 -0.957 1.00 64.43 C ATOM 1451 O GLN A 92 4.750 -18.871 -2.180 1.00 74.23 O ATOM 1452 CB GLN A 92 3.747 -16.731 -0.206 1.00 31.12 C ATOM 1453 CG GLN A 92 2.475 -17.142 0.531 1.00 32.44 C ATOM 1454 CD GLN A 92 2.644 -17.126 2.042 1.00 72.11 C ATOM 1455 OE1 GLN A 92 2.443 -16.105 2.691 1.00 70.42 O ATOM 1456 NE2 GLN A 92 3.006 -18.255 2.619 1.00 75.42 N ATOM 0 H GLN A 92 6.397 -17.090 -1.417 1.00 12.44 H new ATOM 0 HA GLN A 92 4.984 -18.069 0.964 1.00 33.21 H new ATOM 0 HB2 GLN A 92 4.071 -15.759 0.167 1.00 31.12 H new ATOM 0 HB3 GLN A 92 3.515 -16.606 -1.264 1.00 31.12 H new ATOM 0 HG2 GLN A 92 1.664 -16.469 0.253 1.00 32.44 H new ATOM 0 HG3 GLN A 92 2.182 -18.142 0.212 1.00 32.44 H new ATOM 0 HE21 GLN A 92 3.166 -19.088 2.053 1.00 75.42 H new ATOM 0 HE22 GLN A 92 3.126 -18.295 3.631 1.00 75.42 H new ATOM 1465 N GLY A 93 4.326 -20.090 -0.334 1.00 12.02 N ATOM 1466 CA GLY A 93 3.997 -21.303 -1.086 1.00 20.35 C ATOM 1467 C GLY A 93 2.491 -21.538 -1.233 1.00 21.32 C ATOM 1468 O GLY A 93 2.032 -22.074 -2.246 1.00 45.34 O ATOM 0 H GLY A 93 4.284 -20.195 0.680 1.00 12.02 H new ATOM 0 HA2 GLY A 93 4.446 -21.240 -2.077 1.00 20.35 H new ATOM 0 HA3 GLY A 93 4.444 -22.163 -0.588 1.00 20.35 H new ATOM 1472 N ALA A 94 1.724 -21.155 -0.212 1.00 74.41 N ATOM 1473 CA ALA A 94 0.262 -21.302 -0.233 1.00 10.44 C ATOM 1474 C ALA A 94 -0.430 -20.030 -0.751 1.00 24.31 C ATOM 1475 O ALA A 94 0.094 -18.924 -0.614 1.00 52.14 O ATOM 1476 CB ALA A 94 -0.252 -21.653 1.159 1.00 3.25 C ATOM 0 H ALA A 94 2.089 -20.739 0.645 1.00 74.41 H new ATOM 0 HA ALA A 94 0.020 -22.113 -0.920 1.00 10.44 H new ATOM 0 HB1 ALA A 94 -1.336 -21.759 1.130 1.00 3.25 H new ATOM 0 HB2 ALA A 94 0.196 -22.591 1.486 1.00 3.25 H new ATOM 0 HB3 ALA A 94 0.017 -20.860 1.857 1.00 3.25 H new ATOM 1482 N ASP A 95 -1.610 -20.196 -1.345 1.00 22.14 N ATOM 1483 CA ASP A 95 -2.379 -19.066 -1.886 1.00 61.51 C ATOM 1484 C ASP A 95 -3.072 -18.254 -0.771 1.00 62.43 C ATOM 1485 O ASP A 95 -4.120 -18.652 -0.250 1.00 33.43 O ATOM 1486 CB ASP A 95 -3.411 -19.577 -2.898 1.00 63.25 C ATOM 1487 CG ASP A 95 -2.757 -20.259 -4.088 1.00 24.32 C ATOM 1488 OD1 ASP A 95 -2.459 -21.470 -4.004 1.00 71.30 O ATOM 1489 OD2 ASP A 95 -2.536 -19.590 -5.119 1.00 35.12 O ATOM 0 H ASP A 95 -2.060 -21.103 -1.466 1.00 22.14 H new ATOM 0 HA ASP A 95 -1.681 -18.395 -2.387 1.00 61.51 H new ATOM 0 HB2 ASP A 95 -4.085 -20.277 -2.405 1.00 63.25 H new ATOM 0 HB3 ASP A 95 -4.019 -18.742 -3.248 1.00 63.25 H new ATOM 1494 N VAL A 96 -2.483 -17.110 -0.418 1.00 72.45 N ATOM 1495 CA VAL A 96 -3.014 -16.241 0.645 1.00 45.10 C ATOM 1496 C VAL A 96 -3.374 -14.844 0.104 1.00 3.44 C ATOM 1497 O VAL A 96 -3.572 -14.670 -1.101 1.00 31.22 O ATOM 1498 CB VAL A 96 -1.992 -16.102 1.806 1.00 21.32 C ATOM 1499 CG1 VAL A 96 -1.703 -17.463 2.439 1.00 10.24 C ATOM 1500 CG2 VAL A 96 -0.702 -15.441 1.319 1.00 21.15 C ATOM 0 H VAL A 96 -1.631 -16.758 -0.854 1.00 72.45 H new ATOM 0 HA VAL A 96 -3.923 -16.711 1.022 1.00 45.10 H new ATOM 0 HB VAL A 96 -2.431 -15.460 2.570 1.00 21.32 H new ATOM 0 HG11 VAL A 96 -0.985 -17.342 3.250 1.00 10.24 H new ATOM 0 HG12 VAL A 96 -2.628 -17.885 2.833 1.00 10.24 H new ATOM 0 HG13 VAL A 96 -1.290 -18.134 1.686 1.00 10.24 H new ATOM 0 HG21 VAL A 96 -0.002 -15.354 2.150 1.00 21.15 H new ATOM 0 HG22 VAL A 96 -0.257 -16.048 0.531 1.00 21.15 H new ATOM 0 HG23 VAL A 96 -0.927 -14.448 0.929 1.00 21.15 H new ATOM 1510 N ASP A 97 -3.492 -13.858 0.997 1.00 65.35 N ATOM 1511 CA ASP A 97 -3.747 -12.470 0.592 1.00 63.02 C ATOM 1512 C ASP A 97 -2.601 -11.922 -0.282 1.00 20.32 C ATOM 1513 O ASP A 97 -1.456 -11.815 0.157 1.00 72.04 O ATOM 1514 CB ASP A 97 -3.994 -11.581 1.827 1.00 71.44 C ATOM 1515 CG ASP A 97 -2.990 -11.801 2.954 1.00 42.42 C ATOM 1516 OD1 ASP A 97 -2.946 -12.923 3.508 1.00 33.00 O ATOM 1517 OD2 ASP A 97 -2.276 -10.846 3.330 1.00 50.10 O ATOM 0 H ASP A 97 -3.415 -13.993 2.005 1.00 65.35 H new ATOM 0 HA ASP A 97 -4.651 -12.454 -0.017 1.00 63.02 H new ATOM 0 HB2 ASP A 97 -3.961 -10.535 1.523 1.00 71.44 H new ATOM 0 HB3 ASP A 97 -4.998 -11.771 2.205 1.00 71.44 H new ATOM 1522 N TRP A 98 -2.931 -11.571 -1.526 1.00 10.25 N ATOM 1523 CA TRP A 98 -1.927 -11.192 -2.535 1.00 63.20 C ATOM 1524 C TRP A 98 -1.767 -9.666 -2.683 1.00 62.02 C ATOM 1525 O TRP A 98 -2.533 -8.880 -2.119 1.00 32.32 O ATOM 1526 CB TRP A 98 -2.280 -11.835 -3.890 1.00 5.02 C ATOM 1527 CG TRP A 98 -3.643 -11.475 -4.417 1.00 73.43 C ATOM 1528 CD1 TRP A 98 -4.850 -11.825 -3.882 1.00 13.05 C ATOM 1529 CD2 TRP A 98 -3.936 -10.719 -5.599 1.00 53.35 C ATOM 1530 NE1 TRP A 98 -5.871 -11.322 -4.649 1.00 4.13 N ATOM 1531 CE2 TRP A 98 -5.337 -10.643 -5.711 1.00 35.30 C ATOM 1532 CE3 TRP A 98 -3.148 -10.102 -6.575 1.00 54.14 C ATOM 1533 CZ2 TRP A 98 -5.966 -9.963 -6.751 1.00 42.32 C ATOM 1534 CZ3 TRP A 98 -3.772 -9.432 -7.607 1.00 70.24 C ATOM 1535 CH2 TRP A 98 -5.170 -9.369 -7.690 1.00 2.33 C ATOM 0 H TRP A 98 -3.892 -11.540 -1.866 1.00 10.25 H new ATOM 0 HA TRP A 98 -0.964 -11.568 -2.189 1.00 63.20 H new ATOM 0 HB2 TRP A 98 -1.531 -11.539 -4.624 1.00 5.02 H new ATOM 0 HB3 TRP A 98 -2.218 -12.919 -3.791 1.00 5.02 H new ATOM 0 HD1 TRP A 98 -4.982 -12.412 -2.985 1.00 13.05 H new ATOM 0 HE1 TRP A 98 -6.867 -11.436 -4.459 1.00 4.13 H new ATOM 0 HE3 TRP A 98 -2.070 -10.149 -6.522 1.00 54.14 H new ATOM 0 HZ2 TRP A 98 -7.043 -9.907 -6.813 1.00 42.32 H new ATOM 0 HZ3 TRP A 98 -3.173 -8.948 -8.364 1.00 70.24 H new ATOM 0 HH2 TRP A 98 -5.628 -8.840 -8.513 1.00 2.33 H new ATOM 1546 N TYR A 99 -0.762 -9.254 -3.463 1.00 4.24 N ATOM 1547 CA TYR A 99 -0.382 -7.837 -3.568 1.00 52.04 C ATOM 1548 C TYR A 99 -0.663 -7.237 -4.957 1.00 15.22 C ATOM 1549 O TYR A 99 -0.454 -7.875 -5.994 1.00 45.54 O ATOM 1550 CB TYR A 99 1.109 -7.667 -3.234 1.00 32.52 C ATOM 1551 CG TYR A 99 1.468 -8.033 -1.804 1.00 65.24 C ATOM 1552 CD1 TYR A 99 1.653 -9.360 -1.424 1.00 12.40 C ATOM 1553 CD2 TYR A 99 1.624 -7.048 -0.837 1.00 15.21 C ATOM 1554 CE1 TYR A 99 1.982 -9.691 -0.124 1.00 63.15 C ATOM 1555 CE2 TYR A 99 1.953 -7.371 0.466 1.00 12.20 C ATOM 1556 CZ TYR A 99 2.129 -8.693 0.817 1.00 43.44 C ATOM 1557 OH TYR A 99 2.460 -9.022 2.108 1.00 40.41 O ATOM 0 H TYR A 99 -0.195 -9.882 -4.033 1.00 4.24 H new ATOM 0 HA TYR A 99 -1.000 -7.296 -2.851 1.00 52.04 H new ATOM 0 HB2 TYR A 99 1.696 -8.284 -3.914 1.00 32.52 H new ATOM 0 HB3 TYR A 99 1.396 -6.631 -3.416 1.00 32.52 H new ATOM 0 HD1 TYR A 99 1.537 -10.144 -2.158 1.00 12.40 H new ATOM 0 HD2 TYR A 99 1.486 -6.012 -1.108 1.00 15.21 H new ATOM 0 HE1 TYR A 99 2.123 -10.725 0.154 1.00 63.15 H new ATOM 0 HE2 TYR A 99 2.072 -6.592 1.205 1.00 12.20 H new ATOM 0 HH TYR A 99 2.527 -8.206 2.647 1.00 40.41 H new ATOM 1567 N ILE A 100 -1.136 -5.991 -4.952 1.00 4.45 N ATOM 1568 CA ILE A 100 -1.330 -5.209 -6.175 1.00 41.22 C ATOM 1569 C ILE A 100 -0.546 -3.890 -6.097 1.00 4.41 C ATOM 1570 O ILE A 100 -0.845 -3.026 -5.272 1.00 73.11 O ATOM 1571 CB ILE A 100 -2.829 -4.886 -6.419 1.00 75.33 C ATOM 1572 CG1 ILE A 100 -3.653 -6.178 -6.475 1.00 22.33 C ATOM 1573 CG2 ILE A 100 -3.008 -4.080 -7.708 1.00 42.21 C ATOM 1574 CD1 ILE A 100 -5.134 -5.949 -6.703 1.00 65.14 C ATOM 0 H ILE A 100 -1.396 -5.494 -4.100 1.00 4.45 H new ATOM 0 HA ILE A 100 -0.963 -5.815 -7.004 1.00 41.22 H new ATOM 0 HB ILE A 100 -3.188 -4.281 -5.586 1.00 75.33 H new ATOM 0 HG12 ILE A 100 -3.265 -6.811 -7.273 1.00 22.33 H new ATOM 0 HG13 ILE A 100 -3.519 -6.724 -5.541 1.00 22.33 H new ATOM 0 HG21 ILE A 100 -4.066 -3.865 -7.859 1.00 42.21 H new ATOM 0 HG22 ILE A 100 -2.455 -3.144 -7.632 1.00 42.21 H new ATOM 0 HG23 ILE A 100 -2.631 -4.656 -8.553 1.00 42.21 H new ATOM 0 HD11 ILE A 100 -5.651 -6.908 -6.731 1.00 65.14 H new ATOM 0 HD12 ILE A 100 -5.538 -5.343 -5.892 1.00 65.14 H new ATOM 0 HD13 ILE A 100 -5.280 -5.431 -7.651 1.00 65.14 H new ATOM 1586 N LYS A 101 0.466 -3.740 -6.941 1.00 61.21 N ATOM 1587 CA LYS A 101 1.263 -2.511 -6.977 1.00 62.35 C ATOM 1588 C LYS A 101 0.578 -1.459 -7.862 1.00 14.51 C ATOM 1589 O LYS A 101 0.080 -1.778 -8.940 1.00 1.32 O ATOM 1590 CB LYS A 101 2.678 -2.827 -7.479 1.00 31.41 C ATOM 1591 CG LYS A 101 3.417 -3.819 -6.580 1.00 41.05 C ATOM 1592 CD LYS A 101 4.738 -4.291 -7.187 1.00 24.21 C ATOM 1593 CE LYS A 101 5.699 -3.138 -7.449 1.00 73.01 C ATOM 1594 NZ LYS A 101 7.024 -3.619 -7.919 1.00 71.11 N ATOM 0 H LYS A 101 0.758 -4.451 -7.611 1.00 61.21 H new ATOM 0 HA LYS A 101 1.340 -2.099 -5.971 1.00 62.35 H new ATOM 0 HB2 LYS A 101 2.618 -3.233 -8.489 1.00 31.41 H new ATOM 0 HB3 LYS A 101 3.252 -1.902 -7.541 1.00 31.41 H new ATOM 0 HG2 LYS A 101 3.611 -3.353 -5.614 1.00 41.05 H new ATOM 0 HG3 LYS A 101 2.778 -4.682 -6.395 1.00 41.05 H new ATOM 0 HD2 LYS A 101 5.209 -5.008 -6.514 1.00 24.21 H new ATOM 0 HD3 LYS A 101 4.539 -4.815 -8.122 1.00 24.21 H new ATOM 0 HE2 LYS A 101 5.270 -2.469 -8.195 1.00 73.01 H new ATOM 0 HE3 LYS A 101 5.826 -2.557 -6.536 1.00 73.01 H new ATOM 0 HZ1 LYS A 101 7.649 -2.805 -8.086 1.00 71.11 H new ATOM 0 HZ2 LYS A 101 7.445 -4.237 -7.196 1.00 71.11 H new ATOM 0 HZ3 LYS A 101 6.906 -4.152 -8.804 1.00 71.11 H new ATOM 1608 N ALA A 102 0.531 -0.210 -7.410 1.00 21.31 N ATOM 1609 CA ALA A 102 -0.233 0.821 -8.121 1.00 50.23 C ATOM 1610 C ALA A 102 0.455 2.191 -8.123 1.00 53.44 C ATOM 1611 O ALA A 102 1.382 2.448 -7.355 1.00 43.13 O ATOM 1612 CB ALA A 102 -1.630 0.937 -7.518 1.00 32.04 C ATOM 0 H ALA A 102 1.004 0.115 -6.567 1.00 21.31 H new ATOM 0 HA ALA A 102 -0.297 0.505 -9.162 1.00 50.23 H new ATOM 0 HB1 ALA A 102 -2.193 1.704 -8.050 1.00 32.04 H new ATOM 0 HB2 ALA A 102 -2.145 -0.019 -7.607 1.00 32.04 H new ATOM 0 HB3 ALA A 102 -1.551 1.209 -6.466 1.00 32.04 H new ATOM 1618 N ASP A 103 -0.020 3.064 -9.009 1.00 70.53 N ATOM 1619 CA ASP A 103 0.470 4.442 -9.096 1.00 63.23 C ATOM 1620 C ASP A 103 -0.024 5.286 -7.902 1.00 73.51 C ATOM 1621 O ASP A 103 0.765 5.712 -7.058 1.00 1.41 O ATOM 1622 CB ASP A 103 0.003 5.066 -10.421 1.00 35.14 C ATOM 1623 CG ASP A 103 0.538 6.473 -10.629 1.00 61.52 C ATOM 1624 OD1 ASP A 103 1.765 6.672 -10.506 1.00 64.43 O ATOM 1625 OD2 ASP A 103 -0.263 7.385 -10.913 1.00 53.21 O ATOM 0 H ASP A 103 -0.751 2.840 -9.684 1.00 70.53 H new ATOM 0 HA ASP A 103 1.559 4.428 -9.063 1.00 63.23 H new ATOM 0 HB2 ASP A 103 0.325 4.434 -11.249 1.00 35.14 H new ATOM 0 HB3 ASP A 103 -1.087 5.089 -10.442 1.00 35.14 H new ATOM 1630 N ASP A 104 -1.337 5.516 -7.839 1.00 24.24 N ATOM 1631 CA ASP A 104 -1.939 6.302 -6.755 1.00 51.14 C ATOM 1632 C ASP A 104 -3.292 5.711 -6.310 1.00 74.25 C ATOM 1633 O ASP A 104 -3.912 4.918 -7.032 1.00 32.52 O ATOM 1634 CB ASP A 104 -2.111 7.760 -7.203 1.00 14.30 C ATOM 1635 CG ASP A 104 -2.689 8.641 -6.110 1.00 12.33 C ATOM 1636 OD1 ASP A 104 -2.193 8.574 -4.965 1.00 23.42 O ATOM 1637 OD2 ASP A 104 -3.640 9.398 -6.383 1.00 73.44 O ATOM 0 H ASP A 104 -2.006 5.169 -8.526 1.00 24.24 H new ATOM 0 HA ASP A 104 -1.268 6.266 -5.897 1.00 51.14 H new ATOM 0 HB2 ASP A 104 -1.145 8.158 -7.512 1.00 14.30 H new ATOM 0 HB3 ASP A 104 -2.764 7.794 -8.075 1.00 14.30 H new ATOM 1642 N ILE A 105 -3.739 6.115 -5.120 1.00 32.42 N ATOM 1643 CA ILE A 105 -4.989 5.624 -4.527 1.00 34.43 C ATOM 1644 C ILE A 105 -5.914 6.794 -4.143 1.00 55.11 C ATOM 1645 O ILE A 105 -5.536 7.651 -3.342 1.00 42.01 O ATOM 1646 CB ILE A 105 -4.709 4.783 -3.255 1.00 24.24 C ATOM 1647 CG1 ILE A 105 -3.644 3.708 -3.531 1.00 4.03 C ATOM 1648 CG2 ILE A 105 -5.998 4.142 -2.744 1.00 52.43 C ATOM 1649 CD1 ILE A 105 -3.287 2.873 -2.316 1.00 12.33 C ATOM 0 H ILE A 105 -3.246 6.792 -4.538 1.00 32.42 H new ATOM 0 HA ILE A 105 -5.476 5.002 -5.278 1.00 34.43 H new ATOM 0 HB ILE A 105 -4.324 5.451 -2.484 1.00 24.24 H new ATOM 0 HG12 ILE A 105 -4.003 3.048 -4.321 1.00 4.03 H new ATOM 0 HG13 ILE A 105 -2.742 4.192 -3.906 1.00 4.03 H new ATOM 0 HG21 ILE A 105 -5.783 3.555 -1.851 1.00 52.43 H new ATOM 0 HG22 ILE A 105 -6.721 4.921 -2.501 1.00 52.43 H new ATOM 0 HG23 ILE A 105 -6.411 3.491 -3.515 1.00 52.43 H new ATOM 0 HD11 ILE A 105 -2.530 2.137 -2.590 1.00 12.33 H new ATOM 0 HD12 ILE A 105 -2.896 3.521 -1.531 1.00 12.33 H new ATOM 0 HD13 ILE A 105 -4.177 2.360 -1.953 1.00 12.33 H new ATOM 1661 N VAL A 106 -7.124 6.820 -4.702 1.00 71.01 N ATOM 1662 CA VAL A 106 -8.097 7.888 -4.403 1.00 24.21 C ATOM 1663 C VAL A 106 -9.479 7.311 -4.051 1.00 65.40 C ATOM 1664 O VAL A 106 -9.710 6.112 -4.180 1.00 64.23 O ATOM 1665 CB VAL A 106 -8.252 8.874 -5.593 1.00 62.31 C ATOM 1666 CG1 VAL A 106 -6.936 9.594 -5.886 1.00 44.40 C ATOM 1667 CG2 VAL A 106 -8.762 8.150 -6.839 1.00 22.41 C ATOM 0 H VAL A 106 -7.459 6.119 -5.363 1.00 71.01 H new ATOM 0 HA VAL A 106 -7.703 8.428 -3.542 1.00 24.21 H new ATOM 0 HB VAL A 106 -8.990 9.624 -5.310 1.00 62.31 H new ATOM 0 HG11 VAL A 106 -7.074 10.278 -6.724 1.00 44.40 H new ATOM 0 HG12 VAL A 106 -6.625 10.157 -5.006 1.00 44.40 H new ATOM 0 HG13 VAL A 106 -6.169 8.862 -6.138 1.00 44.40 H new ATOM 0 HG21 VAL A 106 -8.862 8.862 -7.658 1.00 22.41 H new ATOM 0 HG22 VAL A 106 -8.055 7.369 -7.121 1.00 22.41 H new ATOM 0 HG23 VAL A 106 -9.733 7.702 -6.627 1.00 22.41 H new ATOM 1677 N LEU A 107 -10.395 8.173 -3.606 1.00 14.13 N ATOM 1678 CA LEU A 107 -11.768 7.752 -3.285 1.00 3.22 C ATOM 1679 C LEU A 107 -12.602 7.549 -4.562 1.00 1.24 C ATOM 1680 O LEU A 107 -12.558 8.375 -5.480 1.00 63.41 O ATOM 1681 CB LEU A 107 -12.452 8.789 -2.379 1.00 71.33 C ATOM 1682 CG LEU A 107 -11.887 8.896 -0.950 1.00 15.22 C ATOM 1683 CD1 LEU A 107 -12.544 10.046 -0.188 1.00 62.42 C ATOM 1684 CD2 LEU A 107 -12.074 7.579 -0.199 1.00 64.35 C ATOM 0 H LEU A 107 -10.215 9.166 -3.458 1.00 14.13 H new ATOM 0 HA LEU A 107 -11.706 6.800 -2.758 1.00 3.22 H new ATOM 0 HB2 LEU A 107 -12.377 9.767 -2.855 1.00 71.33 H new ATOM 0 HB3 LEU A 107 -13.513 8.546 -2.314 1.00 71.33 H new ATOM 0 HG LEU A 107 -10.819 9.104 -1.023 1.00 15.22 H new ATOM 0 HD11 LEU A 107 -12.128 10.100 0.818 1.00 62.42 H new ATOM 0 HD12 LEU A 107 -12.355 10.984 -0.710 1.00 62.42 H new ATOM 0 HD13 LEU A 107 -13.619 9.875 -0.127 1.00 62.42 H new ATOM 0 HD21 LEU A 107 -11.669 7.674 0.808 1.00 64.35 H new ATOM 0 HD22 LEU A 107 -13.136 7.340 -0.142 1.00 64.35 H new ATOM 0 HD23 LEU A 107 -11.551 6.782 -0.727 1.00 64.35 H new ATOM 1696 N THR A 108 -13.363 6.456 -4.608 1.00 33.12 N ATOM 1697 CA THR A 108 -14.209 6.140 -5.766 1.00 22.03 C ATOM 1698 C THR A 108 -15.353 7.151 -5.915 1.00 70.20 C ATOM 1699 O THR A 108 -16.031 7.481 -4.942 1.00 41.22 O ATOM 1700 CB THR A 108 -14.824 4.718 -5.667 1.00 5.02 C ATOM 1701 OG1 THR A 108 -13.834 3.776 -5.240 1.00 22.33 O ATOM 1702 CG2 THR A 108 -15.392 4.266 -7.010 1.00 35.11 C ATOM 0 H THR A 108 -13.413 5.770 -3.855 1.00 33.12 H new ATOM 0 HA THR A 108 -13.556 6.188 -6.637 1.00 22.03 H new ATOM 0 HB THR A 108 -15.633 4.761 -4.938 1.00 5.02 H new ATOM 0 HG1 THR A 108 -14.235 2.884 -5.180 1.00 22.33 H new ATOM 0 HG21 THR A 108 -15.815 3.267 -6.908 1.00 35.11 H new ATOM 0 HG22 THR A 108 -16.171 4.959 -7.328 1.00 35.11 H new ATOM 0 HG23 THR A 108 -14.596 4.249 -7.754 1.00 35.11 H new ATOM 1710 N LEU A 109 -15.581 7.619 -7.141 1.00 34.44 N ATOM 1711 CA LEU A 109 -16.637 8.608 -7.418 1.00 12.21 C ATOM 1712 C LEU A 109 -18.044 7.973 -7.425 1.00 5.23 C ATOM 1713 O LEU A 109 -19.040 8.648 -7.704 1.00 62.11 O ATOM 1714 CB LEU A 109 -16.369 9.297 -8.766 1.00 53.24 C ATOM 1715 CG LEU A 109 -15.026 10.038 -8.864 1.00 24.31 C ATOM 1716 CD1 LEU A 109 -14.852 10.662 -10.246 1.00 21.14 C ATOM 1717 CD2 LEU A 109 -14.913 11.100 -7.771 1.00 21.42 C ATOM 0 H LEU A 109 -15.051 7.332 -7.964 1.00 34.44 H new ATOM 0 HA LEU A 109 -16.613 9.344 -6.614 1.00 12.21 H new ATOM 0 HB2 LEU A 109 -16.410 8.546 -9.555 1.00 53.24 H new ATOM 0 HB3 LEU A 109 -17.173 10.007 -8.960 1.00 53.24 H new ATOM 0 HG LEU A 109 -14.226 9.313 -8.716 1.00 24.31 H new ATOM 0 HD11 LEU A 109 -13.895 11.181 -10.293 1.00 21.14 H new ATOM 0 HD12 LEU A 109 -14.878 9.880 -11.004 1.00 21.14 H new ATOM 0 HD13 LEU A 109 -15.659 11.371 -10.429 1.00 21.14 H new ATOM 0 HD21 LEU A 109 -13.955 11.612 -7.859 1.00 21.42 H new ATOM 0 HD22 LEU A 109 -15.722 11.822 -7.880 1.00 21.42 H new ATOM 0 HD23 LEU A 109 -14.981 10.624 -6.793 1.00 21.42 H new ATOM 1729 N GLU A 110 -18.115 6.681 -7.108 1.00 31.03 N ATOM 1730 CA GLU A 110 -19.378 5.924 -7.123 1.00 71.55 C ATOM 1731 C GLU A 110 -20.072 5.923 -5.744 1.00 24.41 C ATOM 1732 O GLU A 110 -20.960 6.777 -5.516 1.00 36.50 O ATOM 1733 CB GLU A 110 -19.111 4.482 -7.585 1.00 33.22 C ATOM 1734 CG GLU A 110 -18.609 4.378 -9.024 1.00 72.44 C ATOM 1735 CD GLU A 110 -19.656 4.815 -10.040 1.00 3.12 C ATOM 1736 OE1 GLU A 110 -20.594 4.030 -10.301 1.00 5.22 O ATOM 1737 OE2 GLU A 110 -19.561 5.942 -10.567 1.00 52.51 O ATOM 0 H GLU A 110 -17.305 6.126 -6.834 1.00 31.03 H new ATOM 0 HA GLU A 110 -20.053 6.417 -7.823 1.00 71.55 H new ATOM 0 HB2 GLU A 110 -18.376 4.028 -6.920 1.00 33.22 H new ATOM 0 HB3 GLU A 110 -20.030 3.903 -7.488 1.00 33.22 H new ATOM 0 HG2 GLU A 110 -17.717 4.993 -9.139 1.00 72.44 H new ATOM 0 HG3 GLU A 110 -18.315 3.349 -9.229 1.00 72.44 H new TER 1744 GLU A 110