USER MOD reduce.3.24.130724 H: found=0, std=0, add=1614, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 32 SER OG : rot 177:sc= 0.0418! USER MOD Set 1.2: B 67 GLN : amide:sc= -8.29! C(o=-8.2!,f=-9.1!) USER MOD Set 2.1: B 45 GLN : amide:sc= -2.79 K(o=-13,f=-14!) USER MOD Set 2.2: B 48 HIS : no HE2:sc= -9.88! C(o=-13!,f=-21!) USER MOD Set 3.1: B 34 ASN : amide:sc= -8.05! C(o=-8.8!,f=-12!) USER MOD Set 3.2: B 36 ASN : amide:sc= -0.697 K(o=-8.8,f=-13!) USER MOD Set 4.1: A 15 THR OG1 : rot -145:sc= 0.891 USER MOD Set 4.2: B 15 THR OG1 : rot 139:sc= 1.03 USER MOD Set 5.1: A 32 SER OG : rot 140:sc= -0.824 USER MOD Set 5.2: A 67 GLN : amide:sc= -11.8! C(o=-13!,f=-13!) USER MOD Set 6.1: A 45 GLN : amide:sc= -3.15! C(o=-12!,f=-14!) USER MOD Set 6.2: A 48 HIS : no HE2:sc= -8.94! C(o=-12!,f=-18!) USER MOD Set 7.1: A 34 ASN : amide:sc= -7.73! C(o=-8.4!,f=-12!) USER MOD Set 7.2: A 36 ASN : amide:sc= -0.629 K(o=-8.4,f=-12!) USER MOD Single : A 1 MET CE :methyl 135:sc= -2.44! (180deg=-7.64!) USER MOD Single : A 1 MET N :NH3+ -163:sc= -2.48! (180deg=-3.73!) USER MOD Single : A 5 THR OG1 : rot 105:sc= -2.51! USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.542 USER MOD Single : A 22 THR OG1 : rot -77:sc= 1.12 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -101:sc= -1.36! USER MOD Single : A 44 GLN : amide:sc= 1.19 K(o=1.2,f=-0.061) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= -0.124 (180deg=-0.124) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.2) USER MOD Single : A 60 MET CE :methyl -157:sc= -0.336 (180deg=-1.17) USER MOD Single : A 61 LYS NZ :NH3+ 175:sc= -2.77! (180deg=-2.83!) USER MOD Single : A 62 THR OG1 : rot 64:sc= 1.08 USER MOD Single : A 66 ASN : amide:sc= -4.2 K(o=-4.2,f=-2.5!) USER MOD Single : A 69 SER OG : rot -82:sc= 0.963 USER MOD Single : A 74 SER OG : rot -52:sc= 0.25 USER MOD Single : A 76 TYR OH : rot 33:sc= 0.241 USER MOD Single : A 85 LYS NZ :NH3+ 143:sc= 0.415 (180deg=-0.0431) USER MOD Single : A 89 LYS NZ :NH3+ 149:sc= 0.781! (180deg=-1.6!) USER MOD Single : A 91 LYS NZ :NH3+ 165:sc= -0.022 (180deg=-0.225) USER MOD Single : A 97 LYS NZ :NH3+ 178:sc= 0.656 (180deg=0.619) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 142:sc= -2.09! (180deg=-6.29!) USER MOD Single : B 1 MET N :NH3+ -161:sc= -2.26! (180deg=-3.39!) USER MOD Single : B 5 THR OG1 : rot 109:sc= -1.92! USER MOD Single : B 7 THR OG1 : rot 180:sc= 0.129 USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0.516 USER MOD Single : B 22 THR OG1 : rot -82:sc= 0.872 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 THR OG1 : rot -91:sc= -1.11 USER MOD Single : B 44 GLN : amide:sc= 1.18 K(o=1.2,f=-0.055) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= -0.0385 (180deg=-0.0385) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.169) USER MOD Single : B 60 MET CE :methyl -152:sc= -0.273 (180deg=-1.15) USER MOD Single : B 61 LYS NZ :NH3+ 176:sc= -2.65! (180deg=-2.75!) USER MOD Single : B 62 THR OG1 : rot 76:sc= 1.15 USER MOD Single : B 66 ASN : amide:sc= -4.74 K(o=-4.7,f=-3.3!) USER MOD Single : B 69 SER OG : rot -71:sc= 1.18 USER MOD Single : B 74 SER OG : rot -52:sc= 0.346 USER MOD Single : B 76 TYR OH : rot 30:sc= 0.194 USER MOD Single : B 85 LYS NZ :NH3+ 148:sc= 0.325 (180deg=-0.0208) USER MOD Single : B 89 LYS NZ :NH3+ 155:sc= 0.926 (180deg=-1.14!) USER MOD Single : B 91 LYS NZ :NH3+ 164:sc= -0.0253 (180deg=-0.294) USER MOD Single : B 97 LYS NZ :NH3+ -171:sc= 0.677 (180deg=0.591) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.599 4.228 -2.072 1.00 0.64 N ATOM 2 CA MET A 1 -17.924 5.490 -2.467 1.00 0.59 C ATOM 3 C MET A 1 -16.647 5.193 -3.241 1.00 0.60 C ATOM 4 O MET A 1 -16.374 4.043 -3.582 1.00 0.61 O ATOM 5 CB MET A 1 -17.596 6.345 -1.235 1.00 0.57 C ATOM 6 CG MET A 1 -18.664 7.389 -0.878 1.00 0.61 C ATOM 7 SD MET A 1 -20.365 6.837 -1.171 1.00 0.96 S ATOM 8 CE MET A 1 -21.293 8.322 -0.795 1.00 1.17 C ATOM 0 H1 MET A 1 -19.585 4.429 -1.810 1.00 0.64 H new ATOM 0 H2 MET A 1 -18.582 3.561 -2.870 1.00 0.64 H new ATOM 0 H3 MET A 1 -18.103 3.809 -1.260 1.00 0.64 H new ATOM 0 HA MET A 1 -18.607 6.048 -3.107 1.00 0.59 H new ATOM 0 HB2 MET A 1 -17.451 5.685 -0.379 1.00 0.57 H new ATOM 0 HB3 MET A 1 -16.649 6.857 -1.406 1.00 0.57 H new ATOM 0 HG2 MET A 1 -18.557 7.658 0.173 1.00 0.61 H new ATOM 0 HG3 MET A 1 -18.482 8.293 -1.459 1.00 0.61 H new ATOM 0 HE1 MET A 1 -22.049 8.483 -1.564 1.00 1.17 H new ATOM 0 HE2 MET A 1 -21.779 8.212 0.174 1.00 1.17 H new ATOM 0 HE3 MET A 1 -20.617 9.176 -0.766 1.00 1.17 H new ATOM 20 N ALA A 2 -15.878 6.236 -3.540 1.00 0.62 N ATOM 21 CA ALA A 2 -14.635 6.070 -4.281 1.00 0.65 C ATOM 22 C ALA A 2 -13.406 6.377 -3.435 1.00 0.62 C ATOM 23 O ALA A 2 -13.469 7.147 -2.481 1.00 0.72 O ATOM 24 CB ALA A 2 -14.641 6.939 -5.529 1.00 0.73 C ATOM 0 H ALA A 2 -16.093 7.199 -3.282 1.00 0.62 H new ATOM 0 HA ALA A 2 -14.575 5.020 -4.569 1.00 0.65 H new ATOM 0 HB1 ALA A 2 -13.705 6.803 -6.071 1.00 0.73 H new ATOM 0 HB2 ALA A 2 -15.476 6.652 -6.168 1.00 0.73 H new ATOM 0 HB3 ALA A 2 -14.746 7.986 -5.243 1.00 0.73 H new ATOM 30 N ALA A 3 -12.285 5.753 -3.786 1.00 0.73 N ATOM 31 CA ALA A 3 -11.039 5.988 -3.078 1.00 0.76 C ATOM 32 C ALA A 3 -10.506 7.364 -3.445 1.00 0.66 C ATOM 33 O ALA A 3 -9.626 7.505 -4.295 1.00 0.81 O ATOM 34 CB ALA A 3 -10.021 4.905 -3.399 1.00 1.06 C ATOM 0 H ALA A 3 -12.218 5.084 -4.553 1.00 0.73 H new ATOM 0 HA ALA A 3 -11.224 5.953 -2.004 1.00 0.76 H new ATOM 0 HB1 ALA A 3 -9.096 5.103 -2.857 1.00 1.06 H new ATOM 0 HB2 ALA A 3 -10.416 3.934 -3.100 1.00 1.06 H new ATOM 0 HB3 ALA A 3 -9.820 4.901 -4.470 1.00 1.06 H new ATOM 40 N GLU A 4 -11.061 8.374 -2.793 1.00 0.63 N ATOM 41 CA GLU A 4 -10.692 9.758 -3.043 1.00 0.75 C ATOM 42 C GLU A 4 -9.270 10.038 -2.544 1.00 0.74 C ATOM 43 O GLU A 4 -8.336 9.356 -2.965 1.00 0.85 O ATOM 44 CB GLU A 4 -11.741 10.677 -2.409 1.00 0.97 C ATOM 45 CG GLU A 4 -13.168 10.166 -2.578 1.00 1.44 C ATOM 46 CD GLU A 4 -13.549 9.865 -4.018 1.00 2.42 C ATOM 47 OE1 GLU A 4 -12.678 9.421 -4.791 1.00 3.03 O ATOM 48 OE2 GLU A 4 -14.732 10.064 -4.370 1.00 3.20 O ATOM 0 H GLU A 4 -11.778 8.257 -2.077 1.00 0.63 H new ATOM 0 HA GLU A 4 -10.679 9.957 -4.115 1.00 0.75 H new ATOM 0 HB2 GLU A 4 -11.524 10.786 -1.346 1.00 0.97 H new ATOM 0 HB3 GLU A 4 -11.662 11.669 -2.854 1.00 0.97 H new ATOM 0 HG2 GLU A 4 -13.292 9.261 -1.983 1.00 1.44 H new ATOM 0 HG3 GLU A 4 -13.859 10.908 -2.177 1.00 1.44 H new ATOM 55 N THR A 5 -9.077 11.017 -1.661 1.00 0.69 N ATOM 56 CA THR A 5 -7.736 11.316 -1.188 1.00 0.74 C ATOM 57 C THR A 5 -7.151 10.203 -0.292 1.00 0.61 C ATOM 58 O THR A 5 -7.094 9.048 -0.711 1.00 0.78 O ATOM 59 CB THR A 5 -7.696 12.676 -0.486 1.00 0.93 C ATOM 60 OG1 THR A 5 -8.414 13.631 -1.270 1.00 1.43 O ATOM 61 CG2 THR A 5 -6.255 13.131 -0.294 1.00 1.09 C ATOM 0 H THR A 5 -9.816 11.601 -1.269 1.00 0.69 H new ATOM 0 HA THR A 5 -7.096 11.363 -2.069 1.00 0.74 H new ATOM 0 HB THR A 5 -8.161 12.588 0.496 1.00 0.93 H new ATOM 0 HG1 THR A 5 -9.281 13.813 -0.850 1.00 1.43 H new ATOM 0 HG21 THR A 5 -6.243 14.099 0.206 1.00 1.09 H new ATOM 0 HG22 THR A 5 -5.721 12.401 0.315 1.00 1.09 H new ATOM 0 HG23 THR A 5 -5.769 13.218 -1.266 1.00 1.09 H new ATOM 69 N LEU A 6 -6.728 10.530 0.939 1.00 0.54 N ATOM 70 CA LEU A 6 -6.103 9.554 1.816 1.00 0.50 C ATOM 71 C LEU A 6 -7.125 8.650 2.488 1.00 0.49 C ATOM 72 O LEU A 6 -7.617 8.956 3.571 1.00 0.56 O ATOM 73 CB LEU A 6 -5.275 10.271 2.885 1.00 0.61 C ATOM 74 CG LEU A 6 -4.135 11.150 2.367 1.00 0.75 C ATOM 75 CD1 LEU A 6 -4.555 12.611 2.352 1.00 1.15 C ATOM 76 CD2 LEU A 6 -2.891 10.961 3.222 1.00 1.07 C ATOM 0 H LEU A 6 -6.812 11.464 1.340 1.00 0.54 H new ATOM 0 HA LEU A 6 -5.459 8.927 1.199 1.00 0.50 H new ATOM 0 HB2 LEU A 6 -5.945 10.891 3.481 1.00 0.61 H new ATOM 0 HB3 LEU A 6 -4.855 9.521 3.555 1.00 0.61 H new ATOM 0 HG LEU A 6 -3.901 10.849 1.346 1.00 0.75 H new ATOM 0 HD11 LEU A 6 -3.732 13.222 1.981 1.00 1.15 H new ATOM 0 HD12 LEU A 6 -5.421 12.734 1.701 1.00 1.15 H new ATOM 0 HD13 LEU A 6 -4.813 12.926 3.363 1.00 1.15 H new ATOM 0 HD21 LEU A 6 -2.088 11.593 2.841 1.00 1.07 H new ATOM 0 HD22 LEU A 6 -3.113 11.237 4.253 1.00 1.07 H new ATOM 0 HD23 LEU A 6 -2.579 9.917 3.185 1.00 1.07 H new ATOM 88 N THR A 7 -7.440 7.528 1.859 1.00 0.50 N ATOM 89 CA THR A 7 -8.394 6.610 2.449 1.00 0.54 C ATOM 90 C THR A 7 -7.847 6.083 3.759 1.00 0.48 C ATOM 91 O THR A 7 -6.666 6.227 4.039 1.00 0.54 O ATOM 92 CB THR A 7 -8.725 5.414 1.536 1.00 0.62 C ATOM 93 OG1 THR A 7 -8.027 5.533 0.290 1.00 0.85 O ATOM 94 CG2 THR A 7 -10.222 5.317 1.282 1.00 0.83 C ATOM 0 H THR A 7 -7.057 7.238 0.959 1.00 0.50 H new ATOM 0 HA THR A 7 -9.315 7.172 2.603 1.00 0.54 H new ATOM 0 HB THR A 7 -8.403 4.505 2.043 1.00 0.62 H new ATOM 0 HG1 THR A 7 -8.244 4.767 -0.281 1.00 0.85 H new ATOM 0 HG21 THR A 7 -10.427 4.464 0.635 1.00 0.83 H new ATOM 0 HG22 THR A 7 -10.744 5.187 2.230 1.00 0.83 H new ATOM 0 HG23 THR A 7 -10.569 6.230 0.799 1.00 0.83 H new ATOM 102 N GLU A 8 -8.695 5.424 4.533 1.00 0.45 N ATOM 103 CA GLU A 8 -8.292 4.881 5.837 1.00 0.44 C ATOM 104 C GLU A 8 -6.900 4.254 5.788 1.00 0.41 C ATOM 105 O GLU A 8 -6.186 4.222 6.790 1.00 0.42 O ATOM 106 CB GLU A 8 -9.277 3.830 6.334 1.00 0.50 C ATOM 107 CG GLU A 8 -10.733 4.260 6.293 1.00 0.52 C ATOM 108 CD GLU A 8 -10.978 5.558 7.037 1.00 1.09 C ATOM 109 OE1 GLU A 8 -10.839 6.634 6.417 1.00 1.94 O ATOM 110 OE2 GLU A 8 -11.309 5.500 8.240 1.00 1.67 O ATOM 0 H GLU A 8 -9.669 5.248 4.288 1.00 0.45 H new ATOM 0 HA GLU A 8 -8.281 5.727 6.524 1.00 0.44 H new ATOM 0 HB2 GLU A 8 -9.161 2.929 5.732 1.00 0.50 H new ATOM 0 HB3 GLU A 8 -9.019 3.565 7.359 1.00 0.50 H new ATOM 0 HG2 GLU A 8 -11.045 4.376 5.255 1.00 0.52 H new ATOM 0 HG3 GLU A 8 -11.352 3.475 6.726 1.00 0.52 H new ATOM 117 N LEU A 9 -6.522 3.759 4.616 1.00 0.41 N ATOM 118 CA LEU A 9 -5.234 3.118 4.433 1.00 0.40 C ATOM 119 C LEU A 9 -4.070 4.057 4.737 1.00 0.38 C ATOM 120 O LEU A 9 -2.994 3.603 5.126 1.00 0.39 O ATOM 121 CB LEU A 9 -5.138 2.620 2.998 1.00 0.45 C ATOM 122 CG LEU A 9 -6.384 1.913 2.458 1.00 0.57 C ATOM 123 CD1 LEU A 9 -6.022 1.012 1.293 1.00 0.93 C ATOM 124 CD2 LEU A 9 -7.095 1.126 3.549 1.00 0.92 C ATOM 0 H LEU A 9 -7.097 3.792 3.774 1.00 0.41 H new ATOM 0 HA LEU A 9 -5.163 2.288 5.135 1.00 0.40 H new ATOM 0 HB2 LEU A 9 -4.915 3.469 2.352 1.00 0.45 H new ATOM 0 HB3 LEU A 9 -4.293 1.935 2.926 1.00 0.45 H new ATOM 0 HG LEU A 9 -7.074 2.679 2.103 1.00 0.57 H new ATOM 0 HD11 LEU A 9 -6.920 0.518 0.922 1.00 0.93 H new ATOM 0 HD12 LEU A 9 -5.581 1.609 0.495 1.00 0.93 H new ATOM 0 HD13 LEU A 9 -5.305 0.261 1.623 1.00 0.93 H new ATOM 0 HD21 LEU A 9 -7.975 0.637 3.130 1.00 0.92 H new ATOM 0 HD22 LEU A 9 -6.419 0.373 3.953 1.00 0.92 H new ATOM 0 HD23 LEU A 9 -7.401 1.804 4.346 1.00 0.92 H new ATOM 136 N GLU A 10 -4.283 5.364 4.592 1.00 0.38 N ATOM 137 CA GLU A 10 -3.224 6.329 4.881 1.00 0.39 C ATOM 138 C GLU A 10 -2.684 6.077 6.280 1.00 0.38 C ATOM 139 O GLU A 10 -1.493 6.237 6.538 1.00 0.40 O ATOM 140 CB GLU A 10 -3.740 7.756 4.759 1.00 0.46 C ATOM 141 CG GLU A 10 -5.137 7.937 5.303 1.00 0.45 C ATOM 142 CD GLU A 10 -5.240 9.069 6.305 1.00 0.56 C ATOM 143 OE1 GLU A 10 -5.432 10.226 5.874 1.00 1.16 O ATOM 144 OE2 GLU A 10 -5.127 8.801 7.519 1.00 1.27 O ATOM 0 H GLU A 10 -5.164 5.774 4.281 1.00 0.38 H new ATOM 0 HA GLU A 10 -2.422 6.203 4.154 1.00 0.39 H new ATOM 0 HB2 GLU A 10 -3.062 8.426 5.288 1.00 0.46 H new ATOM 0 HB3 GLU A 10 -3.725 8.051 3.710 1.00 0.46 H new ATOM 0 HG2 GLU A 10 -5.821 8.128 4.476 1.00 0.45 H new ATOM 0 HG3 GLU A 10 -5.460 7.010 5.776 1.00 0.45 H new ATOM 151 N ALA A 11 -3.576 5.673 7.183 1.00 0.39 N ATOM 152 CA ALA A 11 -3.181 5.353 8.546 1.00 0.39 C ATOM 153 C ALA A 11 -2.139 4.255 8.505 1.00 0.36 C ATOM 154 O ALA A 11 -1.187 4.248 9.285 1.00 0.39 O ATOM 155 CB ALA A 11 -4.384 4.914 9.367 1.00 0.42 C ATOM 0 H ALA A 11 -4.572 5.561 6.993 1.00 0.39 H new ATOM 0 HA ALA A 11 -2.762 6.241 9.020 1.00 0.39 H new ATOM 0 HB1 ALA A 11 -4.065 4.680 10.383 1.00 0.42 H new ATOM 0 HB2 ALA A 11 -5.119 5.718 9.394 1.00 0.42 H new ATOM 0 HB3 ALA A 11 -4.831 4.029 8.914 1.00 0.42 H new ATOM 161 N ALA A 12 -2.336 3.324 7.580 1.00 0.33 N ATOM 162 CA ALA A 12 -1.403 2.231 7.398 1.00 0.33 C ATOM 163 C ALA A 12 -0.062 2.781 6.944 1.00 0.33 C ATOM 164 O ALA A 12 0.982 2.168 7.169 1.00 0.34 O ATOM 165 CB ALA A 12 -1.944 1.224 6.395 1.00 0.34 C ATOM 0 H ALA A 12 -3.135 3.308 6.946 1.00 0.33 H new ATOM 0 HA ALA A 12 -1.270 1.713 8.348 1.00 0.33 H new ATOM 0 HB1 ALA A 12 -1.228 0.411 6.273 1.00 0.34 H new ATOM 0 HB2 ALA A 12 -2.890 0.822 6.757 1.00 0.34 H new ATOM 0 HB3 ALA A 12 -2.102 1.716 5.435 1.00 0.34 H new ATOM 171 N ILE A 13 -0.096 3.950 6.300 1.00 0.36 N ATOM 172 CA ILE A 13 1.123 4.590 5.841 1.00 0.40 C ATOM 173 C ILE A 13 2.095 4.733 7.017 1.00 0.39 C ATOM 174 O ILE A 13 3.311 4.733 6.842 1.00 0.42 O ATOM 175 CB ILE A 13 0.837 5.967 5.163 1.00 0.47 C ATOM 176 CG1 ILE A 13 1.764 6.157 3.959 1.00 0.90 C ATOM 177 CG2 ILE A 13 0.977 7.146 6.128 1.00 0.99 C ATOM 178 CD1 ILE A 13 3.219 6.340 4.334 1.00 2.05 C ATOM 0 H ILE A 13 -0.952 4.464 6.089 1.00 0.36 H new ATOM 0 HA ILE A 13 1.580 3.961 5.077 1.00 0.40 H new ATOM 0 HB ILE A 13 -0.202 5.952 4.834 1.00 0.47 H new ATOM 0 HG12 ILE A 13 1.673 5.292 3.302 1.00 0.90 H new ATOM 0 HG13 ILE A 13 1.433 7.026 3.390 1.00 0.90 H new ATOM 0 HG21 ILE A 13 0.766 8.076 5.600 1.00 0.99 H new ATOM 0 HG22 ILE A 13 0.272 7.028 6.951 1.00 0.99 H new ATOM 0 HG23 ILE A 13 1.993 7.175 6.522 1.00 0.99 H new ATOM 0 HD11 ILE A 13 3.814 6.469 3.430 1.00 2.05 H new ATOM 0 HD12 ILE A 13 3.324 7.222 4.966 1.00 2.05 H new ATOM 0 HD13 ILE A 13 3.568 5.461 4.876 1.00 2.05 H new ATOM 190 N GLU A 14 1.524 4.842 8.221 1.00 0.39 N ATOM 191 CA GLU A 14 2.305 4.985 9.444 1.00 0.42 C ATOM 192 C GLU A 14 3.131 3.734 9.723 1.00 0.38 C ATOM 193 O GLU A 14 4.253 3.826 10.221 1.00 0.46 O ATOM 194 CB GLU A 14 1.383 5.272 10.629 1.00 0.46 C ATOM 195 CG GLU A 14 0.537 6.521 10.450 1.00 0.79 C ATOM 196 CD GLU A 14 1.375 7.769 10.258 1.00 1.46 C ATOM 197 OE1 GLU A 14 1.772 8.379 11.273 1.00 2.02 O ATOM 198 OE2 GLU A 14 1.633 8.137 9.093 1.00 2.25 O ATOM 0 H GLU A 14 0.515 4.833 8.370 1.00 0.39 H new ATOM 0 HA GLU A 14 2.989 5.822 9.307 1.00 0.42 H new ATOM 0 HB2 GLU A 14 0.725 4.416 10.783 1.00 0.46 H new ATOM 0 HB3 GLU A 14 1.986 5.377 11.531 1.00 0.46 H new ATOM 0 HG2 GLU A 14 -0.118 6.391 9.588 1.00 0.79 H new ATOM 0 HG3 GLU A 14 -0.105 6.649 11.322 1.00 0.79 H new ATOM 205 N THR A 15 2.581 2.566 9.410 1.00 0.30 N ATOM 206 CA THR A 15 3.309 1.321 9.629 1.00 0.28 C ATOM 207 C THR A 15 4.392 1.155 8.573 1.00 0.29 C ATOM 208 O THR A 15 5.579 1.066 8.882 1.00 0.35 O ATOM 209 CB THR A 15 2.381 0.097 9.580 1.00 0.28 C ATOM 210 OG1 THR A 15 1.314 0.243 10.524 1.00 0.29 O ATOM 211 CG2 THR A 15 3.155 -1.177 9.879 1.00 0.32 C ATOM 0 H THR A 15 1.649 2.455 9.010 1.00 0.30 H new ATOM 0 HA THR A 15 3.753 1.380 10.623 1.00 0.28 H new ATOM 0 HB THR A 15 1.965 0.029 8.575 1.00 0.28 H new ATOM 0 HG1 THR A 15 1.086 -0.634 10.898 1.00 0.29 H new ATOM 0 HG21 THR A 15 2.479 -2.031 9.839 1.00 0.32 H new ATOM 0 HG22 THR A 15 3.945 -1.305 9.139 1.00 0.32 H new ATOM 0 HG23 THR A 15 3.596 -1.110 10.873 1.00 0.32 H new ATOM 219 N VAL A 16 3.959 1.122 7.321 1.00 0.27 N ATOM 220 CA VAL A 16 4.857 0.975 6.188 1.00 0.28 C ATOM 221 C VAL A 16 5.930 2.059 6.183 1.00 0.30 C ATOM 222 O VAL A 16 7.049 1.830 5.721 1.00 0.36 O ATOM 223 CB VAL A 16 4.065 1.033 4.874 1.00 0.30 C ATOM 224 CG1 VAL A 16 3.285 2.329 4.794 1.00 0.33 C ATOM 225 CG2 VAL A 16 4.981 0.889 3.671 1.00 0.33 C ATOM 0 H VAL A 16 2.975 1.196 7.063 1.00 0.27 H new ATOM 0 HA VAL A 16 5.348 0.006 6.279 1.00 0.28 H new ATOM 0 HB VAL A 16 3.366 0.197 4.861 1.00 0.30 H new ATOM 0 HG11 VAL A 16 2.727 2.360 3.858 1.00 0.33 H new ATOM 0 HG12 VAL A 16 2.591 2.389 5.633 1.00 0.33 H new ATOM 0 HG13 VAL A 16 3.975 3.172 4.833 1.00 0.33 H new ATOM 0 HG21 VAL A 16 4.390 0.934 2.756 1.00 0.33 H new ATOM 0 HG22 VAL A 16 5.712 1.698 3.671 1.00 0.33 H new ATOM 0 HG23 VAL A 16 5.500 -0.068 3.721 1.00 0.33 H new ATOM 235 N VAL A 17 5.596 3.238 6.700 1.00 0.31 N ATOM 236 CA VAL A 17 6.556 4.333 6.734 1.00 0.33 C ATOM 237 C VAL A 17 7.537 4.168 7.902 1.00 0.30 C ATOM 238 O VAL A 17 8.705 4.545 7.810 1.00 0.32 O ATOM 239 CB VAL A 17 5.872 5.715 6.832 1.00 0.43 C ATOM 240 CG1 VAL A 17 5.271 5.941 8.211 1.00 0.45 C ATOM 241 CG2 VAL A 17 6.861 6.818 6.491 1.00 0.50 C ATOM 0 H VAL A 17 4.681 3.457 7.095 1.00 0.31 H new ATOM 0 HA VAL A 17 7.100 4.292 5.791 1.00 0.33 H new ATOM 0 HB VAL A 17 5.056 5.739 6.109 1.00 0.43 H new ATOM 0 HG11 VAL A 17 4.798 6.922 8.245 1.00 0.45 H new ATOM 0 HG12 VAL A 17 4.526 5.172 8.414 1.00 0.45 H new ATOM 0 HG13 VAL A 17 6.058 5.891 8.964 1.00 0.45 H new ATOM 0 HG21 VAL A 17 6.366 7.786 6.564 1.00 0.50 H new ATOM 0 HG22 VAL A 17 7.698 6.785 7.189 1.00 0.50 H new ATOM 0 HG23 VAL A 17 7.230 6.675 5.475 1.00 0.50 H new ATOM 251 N SER A 18 7.038 3.617 9.008 1.00 0.33 N ATOM 252 CA SER A 18 7.844 3.411 10.212 1.00 0.40 C ATOM 253 C SER A 18 8.691 2.134 10.155 1.00 0.44 C ATOM 254 O SER A 18 9.633 1.974 10.926 1.00 0.59 O ATOM 255 CB SER A 18 6.937 3.364 11.443 1.00 0.51 C ATOM 256 OG SER A 18 7.683 3.099 12.617 1.00 1.32 O ATOM 0 H SER A 18 6.072 3.303 9.095 1.00 0.33 H new ATOM 0 HA SER A 18 8.533 4.253 10.276 1.00 0.40 H new ATOM 0 HB2 SER A 18 6.413 4.314 11.548 1.00 0.51 H new ATOM 0 HB3 SER A 18 6.177 2.594 11.310 1.00 0.51 H new ATOM 0 HG SER A 18 7.080 3.076 13.389 1.00 1.32 H new ATOM 262 N THR A 19 8.339 1.209 9.283 1.00 0.37 N ATOM 263 CA THR A 19 9.088 -0.042 9.179 1.00 0.44 C ATOM 264 C THR A 19 10.325 0.033 8.272 1.00 0.46 C ATOM 265 O THR A 19 11.439 0.293 8.725 1.00 0.54 O ATOM 266 CB THR A 19 8.181 -1.202 8.718 1.00 0.45 C ATOM 267 OG1 THR A 19 7.609 -0.913 7.432 1.00 0.42 O ATOM 268 CG2 THR A 19 7.072 -1.457 9.729 1.00 0.49 C ATOM 0 H THR A 19 7.551 1.291 8.641 1.00 0.37 H new ATOM 0 HA THR A 19 9.452 -0.231 10.189 1.00 0.44 H new ATOM 0 HB THR A 19 8.796 -2.099 8.640 1.00 0.45 H new ATOM 0 HG1 THR A 19 7.038 -1.659 7.153 1.00 0.42 H new ATOM 0 HG21 THR A 19 6.446 -2.279 9.382 1.00 0.49 H new ATOM 0 HG22 THR A 19 7.511 -1.716 10.693 1.00 0.49 H new ATOM 0 HG23 THR A 19 6.464 -0.558 9.837 1.00 0.49 H new ATOM 276 N PHE A 20 10.092 -0.201 6.992 1.00 0.45 N ATOM 277 CA PHE A 20 11.132 -0.252 5.966 1.00 0.54 C ATOM 278 C PHE A 20 11.503 1.134 5.498 1.00 0.52 C ATOM 279 O PHE A 20 12.656 1.423 5.181 1.00 0.64 O ATOM 280 CB PHE A 20 10.587 -1.108 4.813 1.00 0.60 C ATOM 281 CG PHE A 20 11.145 -0.814 3.451 1.00 0.72 C ATOM 282 CD1 PHE A 20 12.485 -0.999 3.178 1.00 1.26 C ATOM 283 CD2 PHE A 20 10.313 -0.360 2.445 1.00 1.60 C ATOM 284 CE1 PHE A 20 12.989 -0.729 1.925 1.00 1.37 C ATOM 285 CE2 PHE A 20 10.807 -0.087 1.190 1.00 1.77 C ATOM 286 CZ PHE A 20 12.148 -0.270 0.928 1.00 1.18 C ATOM 0 H PHE A 20 9.155 -0.365 6.624 1.00 0.45 H new ATOM 0 HA PHE A 20 12.045 -0.693 6.366 1.00 0.54 H new ATOM 0 HB2 PHE A 20 10.779 -2.156 5.043 1.00 0.60 H new ATOM 0 HB3 PHE A 20 9.505 -0.983 4.775 1.00 0.60 H new ATOM 0 HD1 PHE A 20 13.144 -1.359 3.954 1.00 1.26 H new ATOM 0 HD2 PHE A 20 9.262 -0.218 2.647 1.00 1.60 H new ATOM 0 HE1 PHE A 20 14.039 -0.876 1.721 1.00 1.37 H new ATOM 0 HE2 PHE A 20 10.147 0.269 0.413 1.00 1.77 H new ATOM 0 HZ PHE A 20 12.541 -0.055 -0.055 1.00 1.18 H new ATOM 296 N PHE A 21 10.507 1.973 5.454 1.00 0.44 N ATOM 297 CA PHE A 21 10.673 3.332 5.023 1.00 0.47 C ATOM 298 C PHE A 21 11.558 4.093 5.977 1.00 0.49 C ATOM 299 O PHE A 21 12.150 5.108 5.613 1.00 0.62 O ATOM 300 CB PHE A 21 9.294 3.956 4.924 1.00 0.48 C ATOM 301 CG PHE A 21 8.473 3.448 3.755 1.00 0.45 C ATOM 302 CD1 PHE A 21 8.888 2.338 3.029 1.00 1.16 C ATOM 303 CD2 PHE A 21 7.270 4.050 3.408 1.00 1.39 C ATOM 304 CE1 PHE A 21 8.127 1.852 1.983 1.00 1.13 C ATOM 305 CE2 PHE A 21 6.506 3.558 2.370 1.00 1.44 C ATOM 306 CZ PHE A 21 6.934 2.459 1.657 1.00 0.54 C ATOM 0 H PHE A 21 9.552 1.732 5.718 1.00 0.44 H new ATOM 0 HA PHE A 21 11.164 3.366 4.050 1.00 0.47 H new ATOM 0 HB2 PHE A 21 8.751 3.762 5.849 1.00 0.48 H new ATOM 0 HB3 PHE A 21 9.400 5.037 4.838 1.00 0.48 H new ATOM 0 HD1 PHE A 21 9.816 1.849 3.285 1.00 1.16 H new ATOM 0 HD2 PHE A 21 6.928 4.914 3.958 1.00 1.39 H new ATOM 0 HE1 PHE A 21 8.468 0.995 1.420 1.00 1.13 H new ATOM 0 HE2 PHE A 21 5.571 4.035 2.116 1.00 1.44 H new ATOM 0 HZ PHE A 21 6.335 2.074 0.844 1.00 0.54 H new ATOM 316 N THR A 22 11.653 3.608 7.201 1.00 0.47 N ATOM 317 CA THR A 22 12.517 4.266 8.165 1.00 0.54 C ATOM 318 C THR A 22 13.965 4.066 7.773 1.00 0.49 C ATOM 319 O THR A 22 14.845 4.805 8.218 1.00 0.54 O ATOM 320 CB THR A 22 12.303 3.766 9.583 1.00 0.66 C ATOM 321 OG1 THR A 22 12.490 2.364 9.609 1.00 0.66 O ATOM 322 CG2 THR A 22 10.921 4.154 10.059 1.00 0.81 C ATOM 0 H THR A 22 11.159 2.785 7.545 1.00 0.47 H new ATOM 0 HA THR A 22 12.261 5.325 8.152 1.00 0.54 H new ATOM 0 HB THR A 22 13.025 4.223 10.260 1.00 0.66 H new ATOM 0 HG1 THR A 22 11.697 1.921 9.241 1.00 0.66 H new ATOM 0 HG21 THR A 22 10.772 3.793 11.077 1.00 0.81 H new ATOM 0 HG22 THR A 22 10.821 5.239 10.041 1.00 0.81 H new ATOM 0 HG23 THR A 22 10.172 3.710 9.403 1.00 0.81 H new ATOM 330 N PHE A 23 14.220 3.060 6.936 1.00 0.49 N ATOM 331 CA PHE A 23 15.575 2.822 6.477 1.00 0.51 C ATOM 332 C PHE A 23 16.031 4.047 5.686 1.00 0.44 C ATOM 333 O PHE A 23 17.225 4.319 5.587 1.00 0.45 O ATOM 334 CB PHE A 23 15.668 1.488 5.689 1.00 0.68 C ATOM 335 CG PHE A 23 16.034 1.586 4.230 1.00 0.61 C ATOM 336 CD1 PHE A 23 17.205 2.210 3.812 1.00 1.46 C ATOM 337 CD2 PHE A 23 15.197 1.047 3.276 1.00 1.47 C ATOM 338 CE1 PHE A 23 17.526 2.289 2.482 1.00 1.93 C ATOM 339 CE2 PHE A 23 15.516 1.133 1.939 1.00 1.88 C ATOM 340 CZ PHE A 23 16.681 1.753 1.548 1.00 1.82 C ATOM 0 H PHE A 23 13.519 2.414 6.573 1.00 0.49 H new ATOM 0 HA PHE A 23 16.258 2.696 7.317 1.00 0.51 H new ATOM 0 HB2 PHE A 23 16.404 0.852 6.182 1.00 0.68 H new ATOM 0 HB3 PHE A 23 14.706 0.981 5.765 1.00 0.68 H new ATOM 0 HD1 PHE A 23 17.871 2.638 4.546 1.00 1.46 H new ATOM 0 HD2 PHE A 23 14.285 0.554 3.579 1.00 1.47 H new ATOM 0 HE1 PHE A 23 18.441 2.772 2.172 1.00 1.93 H new ATOM 0 HE2 PHE A 23 14.852 0.714 1.197 1.00 1.88 H new ATOM 0 HZ PHE A 23 16.930 1.817 0.499 1.00 1.82 H new ATOM 350 N ALA A 24 15.062 4.811 5.153 1.00 0.50 N ATOM 351 CA ALA A 24 15.354 6.046 4.416 1.00 0.58 C ATOM 352 C ALA A 24 16.447 6.811 5.126 1.00 0.60 C ATOM 353 O ALA A 24 17.330 7.414 4.515 1.00 0.65 O ATOM 354 CB ALA A 24 14.114 6.911 4.358 1.00 0.71 C ATOM 0 H ALA A 24 14.068 4.591 5.221 1.00 0.50 H new ATOM 0 HA ALA A 24 15.674 5.790 3.406 1.00 0.58 H new ATOM 0 HB1 ALA A 24 14.335 7.827 3.810 1.00 0.71 H new ATOM 0 HB2 ALA A 24 13.315 6.369 3.852 1.00 0.71 H new ATOM 0 HB3 ALA A 24 13.797 7.161 5.370 1.00 0.71 H new ATOM 360 N GLY A 25 16.354 6.757 6.447 1.00 0.68 N ATOM 361 CA GLY A 25 17.328 7.399 7.309 1.00 0.81 C ATOM 362 C GLY A 25 18.751 7.215 6.803 1.00 0.71 C ATOM 363 O GLY A 25 19.616 8.064 7.015 1.00 0.80 O ATOM 0 H GLY A 25 15.608 6.271 6.945 1.00 0.68 H new ATOM 0 HA2 GLY A 25 17.104 8.463 7.379 1.00 0.81 H new ATOM 0 HA3 GLY A 25 17.246 6.989 8.316 1.00 0.81 H new ATOM 367 N ARG A 26 18.977 6.092 6.126 1.00 0.60 N ATOM 368 CA ARG A 26 20.280 5.773 5.556 1.00 0.59 C ATOM 369 C ARG A 26 20.826 6.950 4.757 1.00 0.57 C ATOM 370 O ARG A 26 22.036 7.172 4.712 1.00 0.71 O ATOM 371 CB ARG A 26 20.167 4.543 4.653 1.00 0.61 C ATOM 372 CG ARG A 26 20.242 3.223 5.401 1.00 1.17 C ATOM 373 CD ARG A 26 21.679 2.843 5.713 1.00 0.97 C ATOM 374 NE ARG A 26 22.206 3.576 6.860 1.00 1.55 N ATOM 375 CZ ARG A 26 23.497 3.630 7.169 1.00 1.95 C ATOM 376 NH1 ARG A 26 24.386 2.999 6.415 1.00 2.01 N ATOM 377 NH2 ARG A 26 23.901 4.313 8.231 1.00 2.82 N ATOM 0 H ARG A 26 18.265 5.381 5.958 1.00 0.60 H new ATOM 0 HA ARG A 26 20.969 5.561 6.374 1.00 0.59 H new ATOM 0 HB2 ARG A 26 19.223 4.589 4.110 1.00 0.61 H new ATOM 0 HB3 ARG A 26 20.964 4.575 3.910 1.00 0.61 H new ATOM 0 HG2 ARG A 26 19.674 3.296 6.328 1.00 1.17 H new ATOM 0 HG3 ARG A 26 19.778 2.438 4.804 1.00 1.17 H new ATOM 0 HD2 ARG A 26 21.735 1.773 5.911 1.00 0.97 H new ATOM 0 HD3 ARG A 26 22.303 3.039 4.841 1.00 0.97 H new ATOM 0 HE ARG A 26 21.546 4.074 7.457 1.00 1.55 H new ATOM 0 HH11 ARG A 26 24.079 2.472 5.597 1.00 2.01 H new ATOM 0 HH12 ARG A 26 25.377 3.041 6.652 1.00 2.01 H new ATOM 0 HH21 ARG A 26 23.220 4.799 8.814 1.00 2.82 H new ATOM 0 HH22 ARG A 26 24.893 4.352 8.465 1.00 2.82 H new ATOM 391 N GLU A 27 19.929 7.702 4.126 1.00 0.50 N ATOM 392 CA GLU A 27 20.330 8.856 3.334 1.00 0.58 C ATOM 393 C GLU A 27 20.418 10.101 4.212 1.00 0.80 C ATOM 394 O GLU A 27 19.608 10.294 5.117 1.00 1.27 O ATOM 395 CB GLU A 27 19.340 9.085 2.190 1.00 0.98 C ATOM 396 CG GLU A 27 19.222 7.900 1.244 1.00 0.85 C ATOM 397 CD GLU A 27 20.528 7.582 0.543 1.00 1.09 C ATOM 398 OE1 GLU A 27 21.351 6.844 1.126 1.00 1.78 O ATOM 399 OE2 GLU A 27 20.727 8.068 -0.590 1.00 1.63 O ATOM 0 H GLU A 27 18.923 7.532 4.149 1.00 0.50 H new ATOM 0 HA GLU A 27 21.315 8.659 2.911 1.00 0.58 H new ATOM 0 HB2 GLU A 27 18.358 9.305 2.608 1.00 0.98 H new ATOM 0 HB3 GLU A 27 19.649 9.963 1.623 1.00 0.98 H new ATOM 0 HG2 GLU A 27 18.892 7.025 1.803 1.00 0.85 H new ATOM 0 HG3 GLU A 27 18.455 8.110 0.498 1.00 0.85 H new ATOM 406 N GLY A 28 21.411 10.939 3.936 1.00 1.33 N ATOM 407 CA GLY A 28 21.605 12.150 4.714 1.00 1.88 C ATOM 408 C GLY A 28 20.342 12.965 4.878 1.00 1.36 C ATOM 409 O GLY A 28 19.529 12.697 5.763 1.00 1.58 O ATOM 0 H GLY A 28 22.087 10.801 3.185 1.00 1.33 H new ATOM 0 HA2 GLY A 28 21.987 11.883 5.699 1.00 1.88 H new ATOM 0 HA3 GLY A 28 22.366 12.765 4.233 1.00 1.88 H new ATOM 413 N ARG A 29 20.180 13.967 4.021 1.00 1.16 N ATOM 414 CA ARG A 29 19.019 14.850 4.070 1.00 1.06 C ATOM 415 C ARG A 29 17.726 14.064 4.286 1.00 1.13 C ATOM 416 O ARG A 29 17.706 12.838 4.172 1.00 1.73 O ATOM 417 CB ARG A 29 18.928 15.666 2.774 1.00 1.38 C ATOM 418 CG ARG A 29 17.768 16.649 2.741 1.00 1.78 C ATOM 419 CD ARG A 29 17.801 17.517 1.496 1.00 2.37 C ATOM 420 NE ARG A 29 17.856 16.719 0.276 1.00 2.89 N ATOM 421 CZ ARG A 29 17.867 17.242 -0.945 1.00 3.59 C ATOM 422 NH1 ARG A 29 17.820 18.558 -1.105 1.00 3.91 N ATOM 423 NH2 ARG A 29 17.925 16.451 -2.006 1.00 4.31 N ATOM 0 H ARG A 29 20.843 14.190 3.279 1.00 1.16 H new ATOM 0 HA ARG A 29 19.145 15.525 4.917 1.00 1.06 H new ATOM 0 HB2 ARG A 29 19.860 16.215 2.636 1.00 1.38 H new ATOM 0 HB3 ARG A 29 18.834 14.981 1.931 1.00 1.38 H new ATOM 0 HG2 ARG A 29 16.826 16.101 2.778 1.00 1.78 H new ATOM 0 HG3 ARG A 29 17.803 17.283 3.627 1.00 1.78 H new ATOM 0 HD2 ARG A 29 16.916 18.153 1.474 1.00 2.37 H new ATOM 0 HD3 ARG A 29 18.667 18.177 1.537 1.00 2.37 H new ATOM 0 HE ARG A 29 17.888 15.703 0.366 1.00 2.89 H new ATOM 0 HH11 ARG A 29 17.775 19.170 -0.290 1.00 3.91 H new ATOM 0 HH12 ARG A 29 17.829 18.958 -2.043 1.00 3.91 H new ATOM 0 HH21 ARG A 29 17.961 15.439 -1.886 1.00 4.31 H new ATOM 0 HH22 ARG A 29 17.933 16.854 -2.943 1.00 4.31 H new ATOM 437 N LYS A 30 16.647 14.781 4.593 1.00 1.04 N ATOM 438 CA LYS A 30 15.355 14.154 4.810 1.00 1.47 C ATOM 439 C LYS A 30 14.529 14.223 3.536 1.00 1.32 C ATOM 440 O LYS A 30 13.394 14.700 3.536 1.00 1.64 O ATOM 441 CB LYS A 30 14.607 14.853 5.946 1.00 2.03 C ATOM 442 CG LYS A 30 15.458 15.072 7.188 1.00 2.65 C ATOM 443 CD LYS A 30 14.669 15.751 8.295 1.00 3.51 C ATOM 444 CE LYS A 30 15.538 16.024 9.512 1.00 4.01 C ATOM 445 NZ LYS A 30 14.774 16.690 10.602 1.00 4.77 N ATOM 0 H LYS A 30 16.647 15.796 4.696 1.00 1.04 H new ATOM 0 HA LYS A 30 15.515 13.111 5.083 1.00 1.47 H new ATOM 0 HB2 LYS A 30 14.242 15.817 5.591 1.00 2.03 H new ATOM 0 HB3 LYS A 30 13.733 14.260 6.214 1.00 2.03 H new ATOM 0 HG2 LYS A 30 15.835 14.114 7.545 1.00 2.65 H new ATOM 0 HG3 LYS A 30 16.325 15.681 6.933 1.00 2.65 H new ATOM 0 HD2 LYS A 30 14.254 16.689 7.925 1.00 3.51 H new ATOM 0 HD3 LYS A 30 13.827 15.121 8.582 1.00 3.51 H new ATOM 0 HE2 LYS A 30 15.952 15.085 9.880 1.00 4.01 H new ATOM 0 HE3 LYS A 30 16.380 16.652 9.223 1.00 4.01 H new ATOM 0 HZ1 LYS A 30 15.402 16.859 11.413 1.00 4.77 H new ATOM 0 HZ2 LYS A 30 14.400 17.598 10.259 1.00 4.77 H new ATOM 0 HZ3 LYS A 30 13.985 16.079 10.896 1.00 4.77 H new ATOM 459 N GLY A 31 15.122 13.746 2.447 1.00 0.95 N ATOM 460 CA GLY A 31 14.442 13.727 1.169 1.00 0.88 C ATOM 461 C GLY A 31 13.865 12.384 0.896 1.00 0.80 C ATOM 462 O GLY A 31 12.682 12.184 1.084 1.00 0.85 O ATOM 0 H GLY A 31 16.070 13.370 2.429 1.00 0.95 H new ATOM 0 HA2 GLY A 31 13.650 14.476 1.163 1.00 0.88 H new ATOM 0 HA3 GLY A 31 15.141 13.995 0.377 1.00 0.88 H new ATOM 466 N SER A 32 14.669 11.446 0.466 1.00 0.74 N ATOM 467 CA SER A 32 14.130 10.139 0.175 1.00 0.71 C ATOM 468 C SER A 32 15.020 9.021 0.658 1.00 0.70 C ATOM 469 O SER A 32 16.120 9.230 1.171 1.00 0.74 O ATOM 470 CB SER A 32 13.852 10.005 -1.326 1.00 0.68 C ATOM 471 OG SER A 32 14.188 8.721 -1.828 1.00 1.10 O ATOM 0 H SER A 32 15.672 11.554 0.312 1.00 0.74 H new ATOM 0 HA SER A 32 13.193 10.047 0.724 1.00 0.71 H new ATOM 0 HB2 SER A 32 12.797 10.201 -1.516 1.00 0.68 H new ATOM 0 HB3 SER A 32 14.419 10.763 -1.866 1.00 0.68 H new ATOM 0 HG SER A 32 13.507 8.432 -2.471 1.00 1.10 H new ATOM 477 N LEU A 33 14.501 7.832 0.473 1.00 0.72 N ATOM 478 CA LEU A 33 15.170 6.613 0.841 1.00 0.74 C ATOM 479 C LEU A 33 15.879 6.050 -0.366 1.00 0.56 C ATOM 480 O LEU A 33 15.475 6.320 -1.498 1.00 0.52 O ATOM 481 CB LEU A 33 14.147 5.616 1.319 1.00 0.99 C ATOM 482 CG LEU A 33 14.626 4.173 1.435 1.00 1.19 C ATOM 483 CD1 LEU A 33 13.957 3.509 2.617 1.00 1.93 C ATOM 484 CD2 LEU A 33 14.331 3.424 0.140 1.00 1.69 C ATOM 0 H LEU A 33 13.583 7.684 0.054 1.00 0.72 H new ATOM 0 HA LEU A 33 15.892 6.814 1.632 1.00 0.74 H new ATOM 0 HB2 LEU A 33 13.784 5.937 2.295 1.00 0.99 H new ATOM 0 HB3 LEU A 33 13.297 5.642 0.638 1.00 0.99 H new ATOM 0 HG LEU A 33 15.704 4.155 1.598 1.00 1.19 H new ATOM 0 HD11 LEU A 33 14.301 2.478 2.698 1.00 1.93 H new ATOM 0 HD12 LEU A 33 14.211 4.049 3.529 1.00 1.93 H new ATOM 0 HD13 LEU A 33 12.876 3.521 2.477 1.00 1.93 H new ATOM 0 HD21 LEU A 33 14.676 2.394 0.229 1.00 1.69 H new ATOM 0 HD22 LEU A 33 13.258 3.433 -0.049 1.00 1.69 H new ATOM 0 HD23 LEU A 33 14.849 3.910 -0.687 1.00 1.69 H new ATOM 496 N ASN A 34 16.932 5.270 -0.156 1.00 0.57 N ATOM 497 CA ASN A 34 17.652 4.746 -1.292 1.00 0.47 C ATOM 498 C ASN A 34 17.632 3.218 -1.307 1.00 0.41 C ATOM 499 O ASN A 34 16.557 2.628 -1.397 1.00 0.56 O ATOM 500 CB ASN A 34 19.064 5.328 -1.279 1.00 0.56 C ATOM 501 CG ASN A 34 19.789 5.167 -2.600 1.00 1.37 C ATOM 502 OD1 ASN A 34 19.169 5.113 -3.661 1.00 2.12 O ATOM 503 ND2 ASN A 34 21.115 5.096 -2.539 1.00 2.11 N ATOM 0 H ASN A 34 17.291 4.998 0.759 1.00 0.57 H new ATOM 0 HA ASN A 34 17.165 5.048 -2.219 1.00 0.47 H new ATOM 0 HB2 ASN A 34 19.011 6.387 -1.028 1.00 0.56 H new ATOM 0 HB3 ASN A 34 19.643 4.843 -0.493 1.00 0.56 H new ATOM 0 HD21 ASN A 34 21.660 4.992 -3.395 1.00 2.11 H new ATOM 0 HD22 ASN A 34 21.587 5.145 -1.636 1.00 2.11 H new ATOM 510 N ILE A 35 18.796 2.569 -1.281 1.00 0.54 N ATOM 511 CA ILE A 35 18.843 1.127 -1.270 1.00 0.54 C ATOM 512 C ILE A 35 19.970 0.601 -0.400 1.00 0.56 C ATOM 513 O ILE A 35 20.580 -0.425 -0.703 1.00 0.63 O ATOM 514 CB ILE A 35 18.940 0.527 -2.680 1.00 0.60 C ATOM 515 CG1 ILE A 35 20.227 0.963 -3.390 1.00 0.70 C ATOM 516 CG2 ILE A 35 17.714 0.914 -3.487 1.00 0.66 C ATOM 517 CD1 ILE A 35 20.399 2.460 -3.502 1.00 1.05 C ATOM 0 H ILE A 35 19.708 3.025 -1.267 1.00 0.54 H new ATOM 0 HA ILE A 35 17.895 0.806 -0.838 1.00 0.54 H new ATOM 0 HB ILE A 35 18.977 -0.559 -2.591 1.00 0.60 H new ATOM 0 HG12 ILE A 35 21.082 0.550 -2.854 1.00 0.70 H new ATOM 0 HG13 ILE A 35 20.240 0.532 -4.391 1.00 0.70 H new ATOM 0 HG21 ILE A 35 17.787 0.486 -4.487 1.00 0.66 H new ATOM 0 HG22 ILE A 35 16.819 0.534 -2.994 1.00 0.66 H new ATOM 0 HG23 ILE A 35 17.655 2.000 -3.560 1.00 0.66 H new ATOM 0 HD11 ILE A 35 21.334 2.681 -4.017 1.00 1.05 H new ATOM 0 HD12 ILE A 35 19.566 2.881 -4.065 1.00 1.05 H new ATOM 0 HD13 ILE A 35 20.421 2.899 -2.505 1.00 1.05 H new ATOM 529 N ASN A 36 20.235 1.305 0.688 1.00 0.59 N ATOM 530 CA ASN A 36 21.269 0.899 1.619 1.00 0.63 C ATOM 531 C ASN A 36 20.712 -0.189 2.504 1.00 0.59 C ATOM 532 O ASN A 36 21.173 -1.327 2.460 1.00 0.59 O ATOM 533 CB ASN A 36 21.753 2.084 2.452 1.00 0.70 C ATOM 534 CG ASN A 36 22.276 3.217 1.590 1.00 1.33 C ATOM 535 OD1 ASN A 36 21.810 3.424 0.469 1.00 2.15 O ATOM 536 ND2 ASN A 36 23.250 3.955 2.108 1.00 1.89 N ATOM 0 H ASN A 36 19.746 2.162 0.947 1.00 0.59 H new ATOM 0 HA ASN A 36 22.131 0.522 1.068 1.00 0.63 H new ATOM 0 HB2 ASN A 36 20.933 2.449 3.071 1.00 0.70 H new ATOM 0 HB3 ASN A 36 22.540 1.752 3.129 1.00 0.70 H new ATOM 0 HD21 ASN A 36 23.643 4.730 1.573 1.00 1.89 H new ATOM 0 HD22 ASN A 36 23.606 3.748 3.041 1.00 1.89 H new ATOM 543 N GLU A 37 19.727 0.148 3.323 1.00 0.57 N ATOM 544 CA GLU A 37 19.120 -0.874 4.144 1.00 0.56 C ATOM 545 C GLU A 37 18.105 -1.662 3.330 1.00 0.50 C ATOM 546 O GLU A 37 17.662 -2.727 3.759 1.00 0.52 O ATOM 547 CB GLU A 37 18.499 -0.332 5.416 1.00 0.66 C ATOM 548 CG GLU A 37 19.510 -0.126 6.520 1.00 0.75 C ATOM 549 CD GLU A 37 18.930 0.590 7.725 1.00 0.76 C ATOM 550 OE1 GLU A 37 18.861 1.836 7.701 1.00 1.29 O ATOM 551 OE2 GLU A 37 18.543 -0.098 8.693 1.00 1.40 O ATOM 0 H GLU A 37 19.345 1.088 3.432 1.00 0.57 H new ATOM 0 HA GLU A 37 19.920 -1.540 4.466 1.00 0.56 H new ATOM 0 HB2 GLU A 37 18.007 0.616 5.199 1.00 0.66 H new ATOM 0 HB3 GLU A 37 17.727 -1.021 5.760 1.00 0.66 H new ATOM 0 HG2 GLU A 37 19.902 -1.094 6.833 1.00 0.75 H new ATOM 0 HG3 GLU A 37 20.352 0.448 6.133 1.00 0.75 H new ATOM 558 N PHE A 38 17.711 -1.147 2.147 1.00 0.46 N ATOM 559 CA PHE A 38 16.805 -1.892 1.291 1.00 0.42 C ATOM 560 C PHE A 38 17.402 -3.271 1.082 1.00 0.45 C ATOM 561 O PHE A 38 16.695 -4.266 0.975 1.00 0.45 O ATOM 562 CB PHE A 38 16.633 -1.181 -0.055 1.00 0.43 C ATOM 563 CG PHE A 38 15.478 -1.669 -0.869 1.00 0.41 C ATOM 564 CD1 PHE A 38 15.392 -2.987 -1.266 1.00 1.21 C ATOM 565 CD2 PHE A 38 14.474 -0.797 -1.236 1.00 1.30 C ATOM 566 CE1 PHE A 38 14.320 -3.430 -2.012 1.00 1.21 C ATOM 567 CE2 PHE A 38 13.396 -1.232 -1.984 1.00 1.32 C ATOM 568 CZ PHE A 38 13.319 -2.552 -2.372 1.00 0.45 C ATOM 0 H PHE A 38 18.004 -0.241 1.782 1.00 0.46 H new ATOM 0 HA PHE A 38 15.821 -1.966 1.755 1.00 0.42 H new ATOM 0 HB2 PHE A 38 16.509 -0.113 0.125 1.00 0.43 H new ATOM 0 HB3 PHE A 38 17.548 -1.302 -0.635 1.00 0.43 H new ATOM 0 HD1 PHE A 38 16.173 -3.680 -0.990 1.00 1.21 H new ATOM 0 HD2 PHE A 38 14.531 0.239 -0.935 1.00 1.30 H new ATOM 0 HE1 PHE A 38 14.264 -4.465 -2.315 1.00 1.21 H new ATOM 0 HE2 PHE A 38 12.616 -0.539 -2.264 1.00 1.32 H new ATOM 0 HZ PHE A 38 12.478 -2.898 -2.955 1.00 0.45 H new ATOM 578 N LYS A 39 18.737 -3.310 1.095 1.00 0.49 N ATOM 579 CA LYS A 39 19.472 -4.546 0.926 1.00 0.53 C ATOM 580 C LYS A 39 19.156 -5.544 2.016 1.00 0.53 C ATOM 581 O LYS A 39 19.510 -6.717 1.932 1.00 0.56 O ATOM 582 CB LYS A 39 20.966 -4.264 0.863 1.00 0.61 C ATOM 583 CG LYS A 39 21.286 -3.063 0.010 1.00 0.67 C ATOM 584 CD LYS A 39 22.223 -3.427 -1.127 1.00 0.71 C ATOM 585 CE LYS A 39 23.572 -3.893 -0.604 1.00 1.47 C ATOM 586 NZ LYS A 39 24.496 -4.271 -1.706 1.00 1.80 N ATOM 0 H LYS A 39 19.326 -2.487 1.223 1.00 0.49 H new ATOM 0 HA LYS A 39 19.158 -4.994 -0.017 1.00 0.53 H new ATOM 0 HB2 LYS A 39 21.346 -4.102 1.872 1.00 0.61 H new ATOM 0 HB3 LYS A 39 21.482 -5.138 0.465 1.00 0.61 H new ATOM 0 HG2 LYS A 39 20.364 -2.646 -0.395 1.00 0.67 H new ATOM 0 HG3 LYS A 39 21.742 -2.288 0.626 1.00 0.67 H new ATOM 0 HD2 LYS A 39 21.774 -4.214 -1.733 1.00 0.71 H new ATOM 0 HD3 LYS A 39 22.361 -2.563 -1.778 1.00 0.71 H new ATOM 0 HE2 LYS A 39 24.024 -3.100 -0.008 1.00 1.47 H new ATOM 0 HE3 LYS A 39 23.429 -4.747 0.058 1.00 1.47 H new ATOM 0 HZ1 LYS A 39 25.404 -4.583 -1.306 1.00 1.80 H new ATOM 0 HZ2 LYS A 39 24.077 -5.045 -2.260 1.00 1.80 H new ATOM 0 HZ3 LYS A 39 24.654 -3.450 -2.324 1.00 1.80 H new ATOM 600 N GLU A 40 18.543 -5.051 3.054 1.00 0.52 N ATOM 601 CA GLU A 40 18.100 -5.886 4.154 1.00 0.56 C ATOM 602 C GLU A 40 16.757 -6.523 3.793 1.00 0.54 C ATOM 603 O GLU A 40 16.280 -7.428 4.477 1.00 0.60 O ATOM 604 CB GLU A 40 17.973 -5.053 5.425 1.00 0.60 C ATOM 605 CG GLU A 40 19.178 -4.167 5.658 1.00 1.09 C ATOM 606 CD GLU A 40 20.423 -4.957 6.013 1.00 1.91 C ATOM 607 OE1 GLU A 40 20.638 -5.221 7.215 1.00 2.62 O ATOM 608 OE2 GLU A 40 21.185 -5.312 5.088 1.00 2.43 O ATOM 0 H GLU A 40 18.332 -4.060 3.170 1.00 0.52 H new ATOM 0 HA GLU A 40 18.832 -6.673 4.334 1.00 0.56 H new ATOM 0 HB2 GLU A 40 17.078 -4.435 5.363 1.00 0.60 H new ATOM 0 HB3 GLU A 40 17.843 -5.717 6.280 1.00 0.60 H new ATOM 0 HG2 GLU A 40 19.370 -3.577 4.761 1.00 1.09 H new ATOM 0 HG3 GLU A 40 18.957 -3.464 6.461 1.00 1.09 H new ATOM 615 N LEU A 41 16.150 -6.023 2.708 1.00 0.49 N ATOM 616 CA LEU A 41 14.866 -6.524 2.242 1.00 0.50 C ATOM 617 C LEU A 41 14.981 -7.913 1.633 1.00 0.55 C ATOM 618 O LEU A 41 14.961 -8.895 2.365 1.00 0.62 O ATOM 619 CB LEU A 41 14.233 -5.557 1.239 1.00 0.46 C ATOM 620 CG LEU A 41 13.933 -4.164 1.779 1.00 0.44 C ATOM 621 CD1 LEU A 41 12.963 -3.443 0.857 1.00 0.55 C ATOM 622 CD2 LEU A 41 13.378 -4.238 3.197 1.00 0.66 C ATOM 0 H LEU A 41 16.536 -5.269 2.140 1.00 0.49 H new ATOM 0 HA LEU A 41 14.219 -6.599 3.116 1.00 0.50 H new ATOM 0 HB2 LEU A 41 14.899 -5.461 0.382 1.00 0.46 H new ATOM 0 HB3 LEU A 41 13.304 -5.995 0.873 1.00 0.46 H new ATOM 0 HG LEU A 41 14.864 -3.599 1.815 1.00 0.44 H new ATOM 0 HD11 LEU A 41 12.756 -2.449 1.253 1.00 0.55 H new ATOM 0 HD12 LEU A 41 13.403 -3.354 -0.136 1.00 0.55 H new ATOM 0 HD13 LEU A 41 12.034 -4.009 0.793 1.00 0.55 H new ATOM 0 HD21 LEU A 41 13.172 -3.231 3.560 1.00 0.66 H new ATOM 0 HD22 LEU A 41 12.456 -4.820 3.197 1.00 0.66 H new ATOM 0 HD23 LEU A 41 14.109 -4.716 3.849 1.00 0.66 H new ATOM 634 N ALA A 42 15.123 -8.007 0.297 1.00 0.55 N ATOM 635 CA ALA A 42 15.208 -9.299 -0.375 1.00 0.61 C ATOM 636 C ALA A 42 16.008 -10.312 0.416 1.00 0.67 C ATOM 637 O ALA A 42 15.738 -11.502 0.364 1.00 0.74 O ATOM 638 CB ALA A 42 15.795 -9.142 -1.743 1.00 0.65 C ATOM 0 H ALA A 42 15.180 -7.203 -0.328 1.00 0.55 H new ATOM 0 HA ALA A 42 14.190 -9.679 -0.457 1.00 0.61 H new ATOM 0 HB1 ALA A 42 15.851 -10.116 -2.229 1.00 0.65 H new ATOM 0 HB2 ALA A 42 15.166 -8.477 -2.335 1.00 0.65 H new ATOM 0 HB3 ALA A 42 16.796 -8.719 -1.663 1.00 0.65 H new ATOM 644 N THR A 43 16.979 -9.832 1.160 1.00 0.66 N ATOM 645 CA THR A 43 17.796 -10.691 1.962 1.00 0.73 C ATOM 646 C THR A 43 16.924 -11.459 2.955 1.00 0.78 C ATOM 647 O THR A 43 16.950 -12.688 2.999 1.00 0.86 O ATOM 648 CB THR A 43 18.850 -9.846 2.688 1.00 0.72 C ATOM 649 OG1 THR A 43 18.318 -8.539 2.972 1.00 0.66 O ATOM 650 CG2 THR A 43 20.106 -9.711 1.840 1.00 0.75 C ATOM 0 H THR A 43 17.217 -8.842 1.221 1.00 0.66 H new ATOM 0 HA THR A 43 18.305 -11.419 1.331 1.00 0.73 H new ATOM 0 HB THR A 43 19.109 -10.345 3.622 1.00 0.72 H new ATOM 0 HG1 THR A 43 18.655 -7.898 2.312 1.00 0.66 H new ATOM 0 HG21 THR A 43 20.842 -9.108 2.373 1.00 0.75 H new ATOM 0 HG22 THR A 43 20.521 -10.700 1.644 1.00 0.75 H new ATOM 0 HG23 THR A 43 19.857 -9.228 0.895 1.00 0.75 H new ATOM 658 N GLN A 44 16.175 -10.723 3.765 1.00 0.77 N ATOM 659 CA GLN A 44 15.257 -11.314 4.714 1.00 0.85 C ATOM 660 C GLN A 44 13.953 -11.677 4.021 1.00 0.85 C ATOM 661 O GLN A 44 13.327 -12.686 4.342 1.00 0.94 O ATOM 662 CB GLN A 44 15.000 -10.350 5.873 1.00 0.88 C ATOM 663 CG GLN A 44 13.893 -10.798 6.813 1.00 1.54 C ATOM 664 CD GLN A 44 14.237 -12.078 7.549 1.00 2.05 C ATOM 665 OE1 GLN A 44 14.818 -12.047 8.634 1.00 2.54 O ATOM 666 NE2 GLN A 44 13.877 -13.213 6.961 1.00 2.75 N ATOM 0 H GLN A 44 16.190 -9.703 3.779 1.00 0.77 H new ATOM 0 HA GLN A 44 15.702 -12.224 5.116 1.00 0.85 H new ATOM 0 HB2 GLN A 44 15.921 -10.230 6.443 1.00 0.88 H new ATOM 0 HB3 GLN A 44 14.745 -9.370 5.468 1.00 0.88 H new ATOM 0 HG2 GLN A 44 13.695 -10.008 7.538 1.00 1.54 H new ATOM 0 HG3 GLN A 44 12.975 -10.946 6.244 1.00 1.54 H new ATOM 0 HE21 GLN A 44 13.397 -13.191 6.061 1.00 2.75 H new ATOM 0 HE22 GLN A 44 14.080 -14.106 7.409 1.00 2.75 H new ATOM 675 N GLN A 45 13.550 -10.846 3.064 1.00 0.78 N ATOM 676 CA GLN A 45 12.336 -11.101 2.315 1.00 0.83 C ATOM 677 C GLN A 45 12.515 -12.385 1.521 1.00 0.79 C ATOM 678 O GLN A 45 11.539 -13.039 1.152 1.00 0.80 O ATOM 679 CB GLN A 45 11.991 -9.928 1.380 1.00 0.93 C ATOM 680 CG GLN A 45 11.781 -8.572 2.067 1.00 0.97 C ATOM 681 CD GLN A 45 11.716 -8.650 3.580 1.00 1.36 C ATOM 682 OE1 GLN A 45 10.645 -8.822 4.163 1.00 2.34 O ATOM 683 NE2 GLN A 45 12.869 -8.516 4.219 1.00 1.43 N ATOM 0 H GLN A 45 14.047 -9.997 2.794 1.00 0.78 H new ATOM 0 HA GLN A 45 11.505 -11.207 3.012 1.00 0.83 H new ATOM 0 HB2 GLN A 45 12.791 -9.824 0.647 1.00 0.93 H new ATOM 0 HB3 GLN A 45 11.085 -10.180 0.829 1.00 0.93 H new ATOM 0 HG2 GLN A 45 12.593 -7.903 1.783 1.00 0.97 H new ATOM 0 HG3 GLN A 45 10.857 -8.128 1.696 1.00 0.97 H new ATOM 0 HE21 GLN A 45 13.731 -8.375 3.692 1.00 1.43 H new ATOM 0 HE22 GLN A 45 12.895 -8.554 5.238 1.00 1.43 H new ATOM 692 N LEU A 46 13.782 -12.747 1.259 1.00 0.78 N ATOM 693 CA LEU A 46 14.092 -13.977 0.547 1.00 0.78 C ATOM 694 C LEU A 46 13.322 -15.108 1.203 1.00 0.74 C ATOM 695 O LEU A 46 12.359 -15.600 0.621 1.00 0.75 O ATOM 696 CB LEU A 46 15.601 -14.283 0.546 1.00 0.83 C ATOM 697 CG LEU A 46 16.354 -14.035 -0.772 1.00 1.04 C ATOM 698 CD1 LEU A 46 17.692 -14.756 -0.756 1.00 1.25 C ATOM 699 CD2 LEU A 46 15.525 -14.483 -1.964 1.00 1.30 C ATOM 0 H LEU A 46 14.599 -12.201 1.533 1.00 0.78 H new ATOM 0 HA LEU A 46 13.798 -13.865 -0.497 1.00 0.78 H new ATOM 0 HB2 LEU A 46 16.071 -13.682 1.325 1.00 0.83 H new ATOM 0 HB3 LEU A 46 15.737 -15.328 0.824 1.00 0.83 H new ATOM 0 HG LEU A 46 16.532 -12.964 -0.868 1.00 1.04 H new ATOM 0 HD11 LEU A 46 18.215 -14.573 -1.694 1.00 1.25 H new ATOM 0 HD12 LEU A 46 18.295 -14.386 0.074 1.00 1.25 H new ATOM 0 HD13 LEU A 46 17.527 -15.827 -0.636 1.00 1.25 H new ATOM 0 HD21 LEU A 46 16.080 -14.297 -2.884 1.00 1.30 H new ATOM 0 HD22 LEU A 46 15.311 -15.548 -1.879 1.00 1.30 H new ATOM 0 HD23 LEU A 46 14.589 -13.926 -1.986 1.00 1.30 H new ATOM 711 N PRO A 47 13.698 -15.544 2.430 1.00 0.78 N ATOM 712 CA PRO A 47 12.926 -16.584 3.072 1.00 0.80 C ATOM 713 C PRO A 47 11.694 -16.010 3.748 1.00 0.77 C ATOM 714 O PRO A 47 11.724 -15.604 4.910 1.00 0.81 O ATOM 715 CB PRO A 47 13.891 -17.100 4.137 1.00 0.90 C ATOM 716 CG PRO A 47 14.738 -15.924 4.483 1.00 0.95 C ATOM 717 CD PRO A 47 14.854 -15.106 3.226 1.00 0.90 C ATOM 0 HA PRO A 47 12.572 -17.343 2.374 1.00 0.80 H new ATOM 0 HB2 PRO A 47 13.355 -17.472 5.010 1.00 0.90 H new ATOM 0 HB3 PRO A 47 14.495 -17.925 3.758 1.00 0.90 H new ATOM 0 HG2 PRO A 47 14.286 -15.342 5.286 1.00 0.95 H new ATOM 0 HG3 PRO A 47 15.720 -16.241 4.833 1.00 0.95 H new ATOM 0 HD2 PRO A 47 14.816 -14.037 3.437 1.00 0.90 H new ATOM 0 HD3 PRO A 47 15.794 -15.295 2.708 1.00 0.90 H new ATOM 725 N HIS A 48 10.620 -15.980 2.987 1.00 0.73 N ATOM 726 CA HIS A 48 9.318 -15.561 3.467 1.00 0.74 C ATOM 727 C HIS A 48 8.464 -16.769 3.790 1.00 0.83 C ATOM 728 O HIS A 48 8.966 -17.885 3.919 1.00 0.91 O ATOM 729 CB HIS A 48 8.627 -14.661 2.445 1.00 0.73 C ATOM 730 CG HIS A 48 8.555 -13.250 2.902 1.00 0.98 C ATOM 731 ND1 HIS A 48 9.355 -12.253 2.388 1.00 1.87 N ATOM 732 CD2 HIS A 48 7.797 -12.672 3.859 1.00 1.34 C ATOM 733 CE1 HIS A 48 9.095 -11.124 3.013 1.00 2.04 C ATOM 734 NE2 HIS A 48 8.152 -11.352 3.909 1.00 1.61 N ATOM 0 H HIS A 48 10.626 -16.250 2.003 1.00 0.73 H new ATOM 0 HA HIS A 48 9.455 -14.983 4.381 1.00 0.74 H new ATOM 0 HB2 HIS A 48 9.165 -14.708 1.498 1.00 0.73 H new ATOM 0 HB3 HIS A 48 7.620 -15.033 2.258 1.00 0.73 H new ATOM 0 HD1 HIS A 48 10.040 -12.371 1.642 1.00 1.87 H new ATOM 0 HD2 HIS A 48 7.051 -13.160 4.469 1.00 1.34 H new ATOM 0 HE1 HIS A 48 9.572 -10.173 2.825 1.00 2.04 H new ATOM 743 N LEU A 49 7.167 -16.537 3.922 1.00 0.88 N ATOM 744 CA LEU A 49 6.233 -17.627 4.091 1.00 1.00 C ATOM 745 C LEU A 49 5.969 -18.163 2.687 1.00 0.98 C ATOM 746 O LEU A 49 6.548 -19.168 2.274 1.00 1.02 O ATOM 747 CB LEU A 49 4.937 -17.158 4.760 1.00 1.10 C ATOM 748 CG LEU A 49 5.066 -16.804 6.242 1.00 1.62 C ATOM 749 CD1 LEU A 49 3.708 -16.439 6.822 1.00 2.02 C ATOM 750 CD2 LEU A 49 5.684 -17.961 7.014 1.00 2.44 C ATOM 0 H LEU A 49 6.744 -15.609 3.915 1.00 0.88 H new ATOM 0 HA LEU A 49 6.639 -18.399 4.745 1.00 1.00 H new ATOM 0 HB2 LEU A 49 4.565 -16.285 4.224 1.00 1.10 H new ATOM 0 HB3 LEU A 49 4.187 -17.941 4.653 1.00 1.10 H new ATOM 0 HG LEU A 49 5.723 -15.939 6.335 1.00 1.62 H new ATOM 0 HD11 LEU A 49 3.818 -16.190 7.877 1.00 2.02 H new ATOM 0 HD12 LEU A 49 3.303 -15.580 6.287 1.00 2.02 H new ATOM 0 HD13 LEU A 49 3.029 -17.285 6.718 1.00 2.02 H new ATOM 0 HD21 LEU A 49 5.768 -17.692 8.067 1.00 2.44 H new ATOM 0 HD22 LEU A 49 5.052 -18.844 6.915 1.00 2.44 H new ATOM 0 HD23 LEU A 49 6.675 -18.177 6.614 1.00 2.44 H new ATOM 762 N LEU A 50 5.088 -17.478 1.957 1.00 0.98 N ATOM 763 CA LEU A 50 4.801 -17.821 0.566 1.00 1.01 C ATOM 764 C LEU A 50 5.811 -17.116 -0.347 1.00 0.92 C ATOM 765 O LEU A 50 5.432 -16.479 -1.331 1.00 1.01 O ATOM 766 CB LEU A 50 3.371 -17.423 0.186 1.00 1.11 C ATOM 767 CG LEU A 50 3.079 -15.918 0.180 1.00 1.60 C ATOM 768 CD1 LEU A 50 1.942 -15.607 -0.779 1.00 1.97 C ATOM 769 CD2 LEU A 50 2.743 -15.426 1.580 1.00 2.25 C ATOM 0 H LEU A 50 4.560 -16.680 2.309 1.00 0.98 H new ATOM 0 HA LEU A 50 4.889 -18.900 0.443 1.00 1.01 H new ATOM 0 HB2 LEU A 50 3.154 -17.820 -0.806 1.00 1.11 H new ATOM 0 HB3 LEU A 50 2.683 -17.905 0.880 1.00 1.11 H new ATOM 0 HG LEU A 50 3.975 -15.396 -0.157 1.00 1.60 H new ATOM 0 HD11 LEU A 50 1.745 -14.535 -0.774 1.00 1.97 H new ATOM 0 HD12 LEU A 50 2.219 -15.920 -1.786 1.00 1.97 H new ATOM 0 HD13 LEU A 50 1.046 -16.142 -0.466 1.00 1.97 H new ATOM 0 HD21 LEU A 50 2.540 -14.356 1.550 1.00 2.25 H new ATOM 0 HD22 LEU A 50 1.863 -15.952 1.949 1.00 2.25 H new ATOM 0 HD23 LEU A 50 3.585 -15.617 2.245 1.00 2.25 H new ATOM 781 N LYS A 51 7.096 -17.249 -0.024 1.00 0.85 N ATOM 782 CA LYS A 51 8.162 -16.585 -0.762 1.00 0.81 C ATOM 783 C LYS A 51 7.937 -16.567 -2.270 1.00 0.88 C ATOM 784 O LYS A 51 7.244 -17.415 -2.833 1.00 1.03 O ATOM 785 CB LYS A 51 9.511 -17.244 -0.452 1.00 0.97 C ATOM 786 CG LYS A 51 10.670 -16.701 -1.294 1.00 1.23 C ATOM 787 CD LYS A 51 11.955 -17.533 -1.191 1.00 2.11 C ATOM 788 CE LYS A 51 12.083 -18.278 0.128 1.00 2.68 C ATOM 789 NZ LYS A 51 13.488 -18.694 0.400 1.00 3.58 N ATOM 0 H LYS A 51 7.424 -17.819 0.755 1.00 0.85 H new ATOM 0 HA LYS A 51 8.161 -15.547 -0.429 1.00 0.81 H new ATOM 0 HB2 LYS A 51 9.742 -17.100 0.603 1.00 0.97 H new ATOM 0 HB3 LYS A 51 9.427 -18.318 -0.616 1.00 0.97 H new ATOM 0 HG2 LYS A 51 10.359 -16.658 -2.338 1.00 1.23 H new ATOM 0 HG3 LYS A 51 10.885 -15.679 -0.983 1.00 1.23 H new ATOM 0 HD2 LYS A 51 11.982 -18.251 -2.010 1.00 2.11 H new ATOM 0 HD3 LYS A 51 12.816 -16.876 -1.315 1.00 2.11 H new ATOM 0 HE2 LYS A 51 11.730 -17.642 0.939 1.00 2.68 H new ATOM 0 HE3 LYS A 51 11.441 -19.159 0.111 1.00 2.68 H new ATOM 0 HZ1 LYS A 51 13.531 -19.199 1.308 1.00 3.58 H new ATOM 0 HZ2 LYS A 51 13.818 -19.322 -0.361 1.00 3.58 H new ATOM 0 HZ3 LYS A 51 14.097 -17.852 0.442 1.00 3.58 H new ATOM 803 N ASP A 52 8.544 -15.567 -2.898 1.00 0.92 N ATOM 804 CA ASP A 52 8.483 -15.377 -4.342 1.00 1.17 C ATOM 805 C ASP A 52 9.813 -15.783 -4.976 1.00 1.23 C ATOM 806 O ASP A 52 9.844 -16.244 -6.114 1.00 1.47 O ATOM 807 CB ASP A 52 8.167 -13.917 -4.674 1.00 1.29 C ATOM 808 CG ASP A 52 8.113 -13.662 -6.167 1.00 1.87 C ATOM 809 OD1 ASP A 52 9.175 -13.377 -6.761 1.00 2.61 O ATOM 810 OD2 ASP A 52 7.009 -13.748 -6.745 1.00 2.35 O ATOM 0 H ASP A 52 9.097 -14.859 -2.415 1.00 0.92 H new ATOM 0 HA ASP A 52 7.689 -16.005 -4.746 1.00 1.17 H new ATOM 0 HB2 ASP A 52 7.211 -13.644 -4.227 1.00 1.29 H new ATOM 0 HB3 ASP A 52 8.924 -13.273 -4.225 1.00 1.29 H new ATOM 815 N VAL A 53 10.900 -15.587 -4.205 1.00 1.13 N ATOM 816 CA VAL A 53 12.274 -15.926 -4.585 1.00 1.26 C ATOM 817 C VAL A 53 13.026 -14.703 -5.088 1.00 1.24 C ATOM 818 O VAL A 53 13.225 -14.528 -6.290 1.00 1.48 O ATOM 819 CB VAL A 53 12.341 -17.023 -5.647 1.00 1.57 C ATOM 820 CG1 VAL A 53 13.783 -17.334 -6.031 1.00 2.17 C ATOM 821 CG2 VAL A 53 11.625 -18.284 -5.185 1.00 1.91 C ATOM 0 H VAL A 53 10.838 -15.176 -3.274 1.00 1.13 H new ATOM 0 HA VAL A 53 12.747 -16.302 -3.678 1.00 1.26 H new ATOM 0 HB VAL A 53 11.828 -16.649 -6.533 1.00 1.57 H new ATOM 0 HG11 VAL A 53 13.797 -18.118 -6.788 1.00 2.17 H new ATOM 0 HG12 VAL A 53 14.255 -16.436 -6.430 1.00 2.17 H new ATOM 0 HG13 VAL A 53 14.330 -17.671 -5.150 1.00 2.17 H new ATOM 0 HG21 VAL A 53 11.691 -19.045 -5.962 1.00 1.91 H new ATOM 0 HG22 VAL A 53 12.093 -18.655 -4.273 1.00 1.91 H new ATOM 0 HG23 VAL A 53 10.577 -18.056 -4.988 1.00 1.91 H new ATOM 831 N GLY A 54 13.430 -13.855 -4.156 1.00 1.06 N ATOM 832 CA GLY A 54 14.173 -12.666 -4.512 1.00 1.11 C ATOM 833 C GLY A 54 15.473 -12.989 -5.220 1.00 1.14 C ATOM 834 O GLY A 54 16.486 -13.267 -4.577 1.00 1.24 O ATOM 0 H GLY A 54 13.256 -13.969 -3.157 1.00 1.06 H new ATOM 0 HA2 GLY A 54 13.559 -12.036 -5.155 1.00 1.11 H new ATOM 0 HA3 GLY A 54 14.386 -12.090 -3.611 1.00 1.11 H new ATOM 838 N SER A 55 15.444 -12.953 -6.547 1.00 1.18 N ATOM 839 CA SER A 55 16.629 -13.244 -7.347 1.00 1.25 C ATOM 840 C SER A 55 17.789 -12.337 -6.946 1.00 1.11 C ATOM 841 O SER A 55 17.586 -11.184 -6.579 1.00 1.10 O ATOM 842 CB SER A 55 16.313 -13.067 -8.832 1.00 1.41 C ATOM 843 OG SER A 55 17.374 -13.542 -9.641 1.00 1.61 O ATOM 0 H SER A 55 14.613 -12.725 -7.093 1.00 1.18 H new ATOM 0 HA SER A 55 16.923 -14.278 -7.165 1.00 1.25 H new ATOM 0 HB2 SER A 55 15.396 -13.603 -9.078 1.00 1.41 H new ATOM 0 HB3 SER A 55 16.133 -12.013 -9.045 1.00 1.41 H new ATOM 0 HG SER A 55 17.145 -13.419 -10.586 1.00 1.61 H new ATOM 849 N LEU A 56 19.005 -12.864 -7.026 1.00 1.15 N ATOM 850 CA LEU A 56 20.195 -12.102 -6.658 1.00 1.10 C ATOM 851 C LEU A 56 20.301 -10.806 -7.461 1.00 0.98 C ATOM 852 O LEU A 56 20.344 -9.716 -6.891 1.00 0.97 O ATOM 853 CB LEU A 56 21.450 -12.952 -6.872 1.00 1.28 C ATOM 854 CG LEU A 56 22.709 -12.456 -6.152 1.00 2.03 C ATOM 855 CD1 LEU A 56 23.101 -11.069 -6.638 1.00 2.61 C ATOM 856 CD2 LEU A 56 22.491 -12.453 -4.647 1.00 2.83 C ATOM 0 H LEU A 56 19.194 -13.815 -7.342 1.00 1.15 H new ATOM 0 HA LEU A 56 20.110 -11.839 -5.604 1.00 1.10 H new ATOM 0 HB2 LEU A 56 21.240 -13.969 -6.542 1.00 1.28 H new ATOM 0 HB3 LEU A 56 21.658 -13.000 -7.941 1.00 1.28 H new ATOM 0 HG LEU A 56 23.527 -13.139 -6.384 1.00 2.03 H new ATOM 0 HD11 LEU A 56 23.997 -10.739 -6.112 1.00 2.61 H new ATOM 0 HD12 LEU A 56 23.300 -11.102 -7.709 1.00 2.61 H new ATOM 0 HD13 LEU A 56 22.287 -10.371 -6.441 1.00 2.61 H new ATOM 0 HD21 LEU A 56 23.394 -12.098 -4.149 1.00 2.83 H new ATOM 0 HD22 LEU A 56 21.658 -11.794 -4.401 1.00 2.83 H new ATOM 0 HD23 LEU A 56 22.265 -13.465 -4.310 1.00 2.83 H new ATOM 868 N ASP A 57 20.347 -10.929 -8.785 1.00 1.00 N ATOM 869 CA ASP A 57 20.460 -9.765 -9.660 1.00 1.01 C ATOM 870 C ASP A 57 19.291 -8.815 -9.485 1.00 0.95 C ATOM 871 O ASP A 57 19.472 -7.602 -9.381 1.00 0.96 O ATOM 872 CB ASP A 57 20.521 -10.184 -11.118 1.00 1.15 C ATOM 873 CG ASP A 57 21.937 -10.431 -11.600 1.00 1.69 C ATOM 874 OD1 ASP A 57 22.587 -9.465 -12.051 1.00 2.20 O ATOM 875 OD2 ASP A 57 22.395 -11.590 -11.527 1.00 2.48 O ATOM 0 H ASP A 57 20.308 -11.822 -9.275 1.00 1.00 H new ATOM 0 HA ASP A 57 21.382 -9.256 -9.380 1.00 1.01 H new ATOM 0 HB2 ASP A 57 19.932 -11.091 -11.256 1.00 1.15 H new ATOM 0 HB3 ASP A 57 20.063 -9.410 -11.733 1.00 1.15 H new ATOM 880 N GLU A 58 18.086 -9.368 -9.474 1.00 0.94 N ATOM 881 CA GLU A 58 16.879 -8.568 -9.318 1.00 0.95 C ATOM 882 C GLU A 58 17.034 -7.653 -8.123 1.00 0.87 C ATOM 883 O GLU A 58 16.503 -6.543 -8.091 1.00 0.90 O ATOM 884 CB GLU A 58 15.657 -9.469 -9.145 1.00 0.98 C ATOM 885 CG GLU A 58 15.274 -10.203 -10.417 1.00 1.43 C ATOM 886 CD GLU A 58 13.941 -10.917 -10.301 1.00 1.80 C ATOM 887 OE1 GLU A 58 12.896 -10.257 -10.482 1.00 2.42 O ATOM 888 OE2 GLU A 58 13.943 -12.136 -10.027 1.00 2.29 O ATOM 0 H GLU A 58 17.918 -10.369 -9.571 1.00 0.94 H new ATOM 0 HA GLU A 58 16.731 -7.966 -10.215 1.00 0.95 H new ATOM 0 HB2 GLU A 58 15.858 -10.197 -8.359 1.00 0.98 H new ATOM 0 HB3 GLU A 58 14.812 -8.866 -8.812 1.00 0.98 H new ATOM 0 HG2 GLU A 58 15.231 -9.493 -11.243 1.00 1.43 H new ATOM 0 HG3 GLU A 58 16.050 -10.928 -10.661 1.00 1.43 H new ATOM 895 N LYS A 59 17.777 -8.139 -7.143 1.00 0.81 N ATOM 896 CA LYS A 59 18.043 -7.378 -5.948 1.00 0.76 C ATOM 897 C LYS A 59 19.086 -6.301 -6.225 1.00 0.80 C ATOM 898 O LYS A 59 19.058 -5.228 -5.624 1.00 0.79 O ATOM 899 CB LYS A 59 18.490 -8.316 -4.827 1.00 0.75 C ATOM 900 CG LYS A 59 17.426 -9.342 -4.474 1.00 0.75 C ATOM 901 CD LYS A 59 18.027 -10.625 -3.923 1.00 1.14 C ATOM 902 CE LYS A 59 18.815 -10.382 -2.646 1.00 1.95 C ATOM 903 NZ LYS A 59 19.574 -11.594 -2.225 1.00 2.67 N ATOM 0 H LYS A 59 18.206 -9.064 -7.158 1.00 0.81 H new ATOM 0 HA LYS A 59 17.130 -6.876 -5.628 1.00 0.76 H new ATOM 0 HB2 LYS A 59 19.402 -8.831 -5.129 1.00 0.75 H new ATOM 0 HB3 LYS A 59 18.734 -7.729 -3.941 1.00 0.75 H new ATOM 0 HG2 LYS A 59 16.744 -8.917 -3.738 1.00 0.75 H new ATOM 0 HG3 LYS A 59 16.836 -9.571 -5.361 1.00 0.75 H new ATOM 0 HD2 LYS A 59 17.231 -11.343 -3.727 1.00 1.14 H new ATOM 0 HD3 LYS A 59 18.680 -11.071 -4.673 1.00 1.14 H new ATOM 0 HE2 LYS A 59 19.507 -9.554 -2.798 1.00 1.95 H new ATOM 0 HE3 LYS A 59 18.133 -10.085 -1.849 1.00 1.95 H new ATOM 0 HZ1 LYS A 59 20.330 -11.319 -1.566 1.00 2.67 H new ATOM 0 HZ2 LYS A 59 18.930 -12.261 -1.754 1.00 2.67 H new ATOM 0 HZ3 LYS A 59 19.993 -12.049 -3.061 1.00 2.67 H new ATOM 917 N MET A 60 20.002 -6.593 -7.144 1.00 0.86 N ATOM 918 CA MET A 60 21.035 -5.645 -7.518 1.00 0.92 C ATOM 919 C MET A 60 20.496 -4.633 -8.523 1.00 0.96 C ATOM 920 O MET A 60 20.952 -3.492 -8.585 1.00 1.01 O ATOM 921 CB MET A 60 22.248 -6.375 -8.095 1.00 1.00 C ATOM 922 CG MET A 60 23.027 -7.167 -7.058 1.00 1.00 C ATOM 923 SD MET A 60 23.989 -6.111 -5.958 1.00 1.73 S ATOM 924 CE MET A 60 25.079 -5.306 -7.129 1.00 2.31 C ATOM 0 H MET A 60 20.046 -7.482 -7.642 1.00 0.86 H new ATOM 0 HA MET A 60 21.348 -5.108 -6.622 1.00 0.92 H new ATOM 0 HB2 MET A 60 21.915 -7.051 -8.882 1.00 1.00 H new ATOM 0 HB3 MET A 60 22.913 -5.647 -8.560 1.00 1.00 H new ATOM 0 HG2 MET A 60 22.334 -7.765 -6.467 1.00 1.00 H new ATOM 0 HG3 MET A 60 23.696 -7.863 -7.565 1.00 1.00 H new ATOM 0 HE1 MET A 60 25.972 -4.955 -6.612 1.00 2.31 H new ATOM 0 HE2 MET A 60 25.364 -6.014 -7.907 1.00 2.31 H new ATOM 0 HE3 MET A 60 24.565 -4.458 -7.582 1.00 2.31 H new ATOM 934 N LYS A 61 19.529 -5.075 -9.314 1.00 0.97 N ATOM 935 CA LYS A 61 18.901 -4.225 -10.317 1.00 1.02 C ATOM 936 C LYS A 61 17.864 -3.341 -9.658 1.00 0.96 C ATOM 937 O LYS A 61 17.856 -2.123 -9.838 1.00 0.92 O ATOM 938 CB LYS A 61 18.243 -5.078 -11.400 1.00 1.08 C ATOM 939 CG LYS A 61 17.383 -4.280 -12.367 1.00 1.55 C ATOM 940 CD LYS A 61 18.209 -3.281 -13.162 1.00 2.07 C ATOM 941 CE LYS A 61 17.382 -2.609 -14.247 1.00 2.59 C ATOM 942 NZ LYS A 61 16.232 -1.854 -13.681 1.00 3.16 N ATOM 0 H LYS A 61 19.159 -6.025 -9.280 1.00 0.97 H new ATOM 0 HA LYS A 61 19.666 -3.602 -10.780 1.00 1.02 H new ATOM 0 HB2 LYS A 61 19.019 -5.598 -11.962 1.00 1.08 H new ATOM 0 HB3 LYS A 61 17.627 -5.842 -10.925 1.00 1.08 H new ATOM 0 HG2 LYS A 61 16.878 -4.961 -13.052 1.00 1.55 H new ATOM 0 HG3 LYS A 61 16.607 -3.752 -11.813 1.00 1.55 H new ATOM 0 HD2 LYS A 61 18.612 -2.524 -12.489 1.00 2.07 H new ATOM 0 HD3 LYS A 61 19.060 -3.790 -13.615 1.00 2.07 H new ATOM 0 HE2 LYS A 61 18.016 -1.931 -14.818 1.00 2.59 H new ATOM 0 HE3 LYS A 61 17.014 -3.363 -14.942 1.00 2.59 H new ATOM 0 HZ1 LYS A 61 15.744 -1.342 -14.443 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 15.570 -2.517 -13.230 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 16.577 -1.174 -12.974 1.00 3.16 H new ATOM 956 N THR A 62 16.987 -3.969 -8.888 1.00 0.98 N ATOM 957 CA THR A 62 15.954 -3.246 -8.178 1.00 0.96 C ATOM 958 C THR A 62 16.576 -2.148 -7.325 1.00 0.86 C ATOM 959 O THR A 62 15.909 -1.187 -6.948 1.00 0.84 O ATOM 960 CB THR A 62 15.119 -4.190 -7.295 1.00 1.02 C ATOM 961 OG1 THR A 62 14.471 -5.176 -8.110 1.00 1.12 O ATOM 962 CG2 THR A 62 14.076 -3.418 -6.501 1.00 1.05 C ATOM 0 H THR A 62 16.974 -4.978 -8.742 1.00 0.98 H new ATOM 0 HA THR A 62 15.289 -2.796 -8.916 1.00 0.96 H new ATOM 0 HB THR A 62 15.793 -4.681 -6.593 1.00 1.02 H new ATOM 0 HG1 THR A 62 15.147 -5.734 -8.548 1.00 1.12 H new ATOM 0 HG21 THR A 62 13.501 -4.110 -5.886 1.00 1.05 H new ATOM 0 HG22 THR A 62 14.573 -2.690 -5.860 1.00 1.05 H new ATOM 0 HG23 THR A 62 13.406 -2.900 -7.187 1.00 1.05 H new ATOM 970 N LEU A 63 17.863 -2.304 -7.014 1.00 0.86 N ATOM 971 CA LEU A 63 18.585 -1.315 -6.232 1.00 0.84 C ATOM 972 C LEU A 63 18.366 0.079 -6.816 1.00 0.80 C ATOM 973 O LEU A 63 18.085 1.033 -6.097 1.00 0.89 O ATOM 974 CB LEU A 63 20.078 -1.653 -6.216 1.00 0.95 C ATOM 975 CG LEU A 63 20.696 -1.801 -4.826 1.00 0.92 C ATOM 976 CD1 LEU A 63 20.850 -3.266 -4.455 1.00 1.05 C ATOM 977 CD2 LEU A 63 22.037 -1.086 -4.757 1.00 1.40 C ATOM 0 H LEU A 63 18.423 -3.109 -7.295 1.00 0.86 H new ATOM 0 HA LEU A 63 18.209 -1.328 -5.209 1.00 0.84 H new ATOM 0 HB2 LEU A 63 20.230 -2.583 -6.765 1.00 0.95 H new ATOM 0 HB3 LEU A 63 20.617 -0.873 -6.755 1.00 0.95 H new ATOM 0 HG LEU A 63 20.023 -1.338 -4.105 1.00 0.92 H new ATOM 0 HD11 LEU A 63 21.292 -3.345 -3.462 1.00 1.05 H new ATOM 0 HD12 LEU A 63 19.872 -3.746 -4.456 1.00 1.05 H new ATOM 0 HD13 LEU A 63 21.497 -3.759 -5.180 1.00 1.05 H new ATOM 0 HD21 LEU A 63 22.461 -1.203 -3.760 1.00 1.40 H new ATOM 0 HD22 LEU A 63 22.717 -1.516 -5.493 1.00 1.40 H new ATOM 0 HD23 LEU A 63 21.896 -0.026 -4.969 1.00 1.40 H new ATOM 989 N ASP A 64 18.502 0.195 -8.129 1.00 0.79 N ATOM 990 CA ASP A 64 18.292 1.474 -8.793 1.00 0.82 C ATOM 991 C ASP A 64 16.803 1.729 -9.019 1.00 0.82 C ATOM 992 O ASP A 64 16.320 2.845 -8.831 1.00 0.89 O ATOM 993 CB ASP A 64 19.037 1.530 -10.122 1.00 0.91 C ATOM 994 CG ASP A 64 20.537 1.393 -9.956 1.00 1.35 C ATOM 995 OD1 ASP A 64 21.032 0.246 -9.958 1.00 1.99 O ATOM 996 OD2 ASP A 64 21.217 2.432 -9.824 1.00 2.05 O ATOM 0 H ASP A 64 18.754 -0.573 -8.751 1.00 0.79 H new ATOM 0 HA ASP A 64 18.687 2.254 -8.142 1.00 0.82 H new ATOM 0 HB2 ASP A 64 18.673 0.734 -10.772 1.00 0.91 H new ATOM 0 HB3 ASP A 64 18.815 2.474 -10.619 1.00 0.91 H new ATOM 1001 N VAL A 65 16.082 0.685 -9.426 1.00 0.82 N ATOM 1002 CA VAL A 65 14.648 0.796 -9.677 1.00 0.87 C ATOM 1003 C VAL A 65 13.908 1.247 -8.424 1.00 0.77 C ATOM 1004 O VAL A 65 13.212 2.263 -8.432 1.00 0.82 O ATOM 1005 CB VAL A 65 14.053 -0.542 -10.161 1.00 0.95 C ATOM 1006 CG1 VAL A 65 12.560 -0.402 -10.421 1.00 1.06 C ATOM 1007 CG2 VAL A 65 14.773 -1.018 -11.412 1.00 1.07 C ATOM 0 H VAL A 65 16.468 -0.245 -9.588 1.00 0.82 H new ATOM 0 HA VAL A 65 14.520 1.542 -10.461 1.00 0.87 H new ATOM 0 HB VAL A 65 14.193 -1.287 -9.377 1.00 0.95 H new ATOM 0 HG11 VAL A 65 12.159 -1.357 -10.762 1.00 1.06 H new ATOM 0 HG12 VAL A 65 12.057 -0.105 -9.501 1.00 1.06 H new ATOM 0 HG13 VAL A 65 12.394 0.356 -11.187 1.00 1.06 H new ATOM 0 HG21 VAL A 65 14.342 -1.963 -11.742 1.00 1.07 H new ATOM 0 HG22 VAL A 65 14.663 -0.274 -12.201 1.00 1.07 H new ATOM 0 HG23 VAL A 65 15.831 -1.159 -11.192 1.00 1.07 H new ATOM 1017 N ASN A 66 14.065 0.484 -7.345 1.00 0.72 N ATOM 1018 CA ASN A 66 13.426 0.802 -6.066 1.00 0.68 C ATOM 1019 C ASN A 66 14.225 1.830 -5.266 1.00 0.57 C ATOM 1020 O ASN A 66 14.142 1.858 -4.038 1.00 0.57 O ATOM 1021 CB ASN A 66 13.275 -0.451 -5.214 1.00 0.82 C ATOM 1022 CG ASN A 66 12.078 -1.310 -5.592 1.00 0.81 C ATOM 1023 OD1 ASN A 66 11.501 -1.985 -4.741 1.00 1.51 O ATOM 1024 ND2 ASN A 66 11.697 -1.294 -6.865 1.00 1.10 N ATOM 0 H ASN A 66 14.632 -0.364 -7.329 1.00 0.72 H new ATOM 0 HA ASN A 66 12.448 1.220 -6.305 1.00 0.68 H new ATOM 0 HB2 ASN A 66 14.182 -1.050 -5.301 1.00 0.82 H new ATOM 0 HB3 ASN A 66 13.185 -0.159 -4.168 1.00 0.82 H new ATOM 0 HD21 ASN A 66 10.900 -1.855 -7.166 1.00 1.10 H new ATOM 0 HD22 ASN A 66 12.202 -0.721 -7.541 1.00 1.10 H new ATOM 1031 N GLN A 67 14.978 2.684 -5.947 1.00 0.62 N ATOM 1032 CA GLN A 67 15.783 3.686 -5.287 1.00 0.68 C ATOM 1033 C GLN A 67 14.912 4.482 -4.352 1.00 0.61 C ATOM 1034 O GLN A 67 15.087 4.498 -3.134 1.00 0.66 O ATOM 1035 CB GLN A 67 16.359 4.623 -6.350 1.00 0.88 C ATOM 1036 CG GLN A 67 16.996 5.863 -5.790 1.00 0.74 C ATOM 1037 CD GLN A 67 16.027 6.993 -5.540 1.00 1.15 C ATOM 1038 OE1 GLN A 67 15.726 7.770 -6.443 1.00 1.97 O ATOM 1039 NE2 GLN A 67 15.579 7.115 -4.288 1.00 1.36 N ATOM 0 H GLN A 67 15.043 2.697 -6.965 1.00 0.62 H new ATOM 0 HA GLN A 67 16.587 3.212 -4.725 1.00 0.68 H new ATOM 0 HB2 GLN A 67 17.100 4.079 -6.936 1.00 0.88 H new ATOM 0 HB3 GLN A 67 15.562 4.914 -7.034 1.00 0.88 H new ATOM 0 HG2 GLN A 67 17.494 5.612 -4.854 1.00 0.74 H new ATOM 0 HG3 GLN A 67 17.767 6.206 -6.480 1.00 0.74 H new ATOM 0 HE21 GLN A 67 15.862 6.440 -3.577 1.00 1.36 H new ATOM 0 HE22 GLN A 67 14.954 7.883 -4.042 1.00 1.36 H new ATOM 1048 N ASP A 68 13.971 5.139 -4.983 1.00 0.59 N ATOM 1049 CA ASP A 68 12.996 5.992 -4.314 1.00 0.62 C ATOM 1050 C ASP A 68 11.862 5.180 -3.685 1.00 0.59 C ATOM 1051 O ASP A 68 10.853 5.757 -3.294 1.00 0.66 O ATOM 1052 CB ASP A 68 12.381 6.976 -5.322 1.00 0.74 C ATOM 1053 CG ASP A 68 13.251 8.170 -5.638 1.00 1.00 C ATOM 1054 OD1 ASP A 68 13.747 8.811 -4.688 1.00 1.51 O ATOM 1055 OD2 ASP A 68 13.446 8.462 -6.836 1.00 1.62 O ATOM 0 H ASP A 68 13.851 5.101 -5.995 1.00 0.59 H new ATOM 0 HA ASP A 68 13.526 6.525 -3.525 1.00 0.62 H new ATOM 0 HB2 ASP A 68 12.167 6.442 -6.248 1.00 0.74 H new ATOM 0 HB3 ASP A 68 11.427 7.330 -4.930 1.00 0.74 H new ATOM 1060 N SER A 69 12.042 3.856 -3.536 1.00 0.56 N ATOM 1061 CA SER A 69 10.998 2.984 -2.987 1.00 0.59 C ATOM 1062 C SER A 69 10.356 3.639 -1.790 1.00 0.63 C ATOM 1063 O SER A 69 9.163 3.484 -1.530 1.00 0.75 O ATOM 1064 CB SER A 69 11.581 1.628 -2.598 1.00 0.68 C ATOM 1065 OG SER A 69 12.740 1.779 -1.797 1.00 1.75 O ATOM 0 H SER A 69 12.902 3.370 -3.789 1.00 0.56 H new ATOM 0 HA SER A 69 10.239 2.824 -3.753 1.00 0.59 H new ATOM 0 HB2 SER A 69 10.833 1.050 -2.055 1.00 0.68 H new ATOM 0 HB3 SER A 69 11.828 1.064 -3.497 1.00 0.68 H new ATOM 0 HG SER A 69 13.517 1.940 -2.372 1.00 1.75 H new ATOM 1071 N GLU A 70 11.173 4.380 -1.071 1.00 0.64 N ATOM 1072 CA GLU A 70 10.699 5.127 0.074 1.00 0.76 C ATOM 1073 C GLU A 70 11.040 6.581 -0.115 1.00 0.78 C ATOM 1074 O GLU A 70 12.007 6.929 -0.792 1.00 0.81 O ATOM 1075 CB GLU A 70 11.277 4.616 1.386 1.00 0.85 C ATOM 1076 CG GLU A 70 11.374 5.688 2.487 1.00 1.33 C ATOM 1077 CD GLU A 70 10.025 6.191 2.949 1.00 2.19 C ATOM 1078 OE1 GLU A 70 9.013 5.856 2.299 1.00 2.88 O ATOM 1079 OE2 GLU A 70 9.979 6.922 3.961 1.00 2.72 O ATOM 0 H GLU A 70 12.170 4.481 -1.260 1.00 0.64 H new ATOM 0 HA GLU A 70 9.619 4.995 0.137 1.00 0.76 H new ATOM 0 HB2 GLU A 70 10.660 3.794 1.747 1.00 0.85 H new ATOM 0 HB3 GLU A 70 12.271 4.210 1.200 1.00 0.85 H new ATOM 0 HG2 GLU A 70 11.912 5.276 3.340 1.00 1.33 H new ATOM 0 HG3 GLU A 70 11.960 6.529 2.116 1.00 1.33 H new ATOM 1086 N LEU A 71 10.239 7.422 0.486 1.00 0.79 N ATOM 1087 CA LEU A 71 10.445 8.818 0.369 1.00 0.83 C ATOM 1088 C LEU A 71 10.159 9.613 1.653 1.00 0.81 C ATOM 1089 O LEU A 71 9.505 9.138 2.572 1.00 0.86 O ATOM 1090 CB LEU A 71 9.516 9.195 -0.739 1.00 0.99 C ATOM 1091 CG LEU A 71 9.267 10.637 -0.947 1.00 0.79 C ATOM 1092 CD1 LEU A 71 8.326 11.246 0.084 1.00 1.89 C ATOM 1093 CD2 LEU A 71 10.568 11.363 -1.119 1.00 1.26 C ATOM 0 H LEU A 71 9.440 7.151 1.060 1.00 0.79 H new ATOM 0 HA LEU A 71 11.491 9.055 0.175 1.00 0.83 H new ATOM 0 HB2 LEU A 71 9.911 8.783 -1.667 1.00 0.99 H new ATOM 0 HB3 LEU A 71 8.558 8.709 -0.557 1.00 0.99 H new ATOM 0 HG LEU A 71 8.713 10.758 -1.878 1.00 0.79 H new ATOM 0 HD11 LEU A 71 8.189 12.306 -0.130 1.00 1.89 H new ATOM 0 HD12 LEU A 71 7.362 10.739 0.041 1.00 1.89 H new ATOM 0 HD13 LEU A 71 8.753 11.129 1.080 1.00 1.89 H new ATOM 0 HD21 LEU A 71 10.375 12.425 -1.272 1.00 1.26 H new ATOM 0 HD22 LEU A 71 11.180 11.230 -0.227 1.00 1.26 H new ATOM 0 HD23 LEU A 71 11.097 10.962 -1.984 1.00 1.26 H new ATOM 1105 N ARG A 72 10.782 10.781 1.743 1.00 0.77 N ATOM 1106 CA ARG A 72 10.565 11.734 2.819 1.00 0.79 C ATOM 1107 C ARG A 72 10.036 13.039 2.204 1.00 0.68 C ATOM 1108 O ARG A 72 9.211 13.731 2.797 1.00 0.75 O ATOM 1109 CB ARG A 72 11.864 12.005 3.577 1.00 0.91 C ATOM 1110 CG ARG A 72 12.843 10.845 3.572 1.00 1.00 C ATOM 1111 CD ARG A 72 12.176 9.510 3.845 1.00 1.06 C ATOM 1112 NE ARG A 72 10.929 9.633 4.597 1.00 1.30 N ATOM 1113 CZ ARG A 72 10.880 9.866 5.904 1.00 1.18 C ATOM 1114 NH1 ARG A 72 12.003 10.022 6.594 1.00 1.56 N ATOM 1115 NH2 ARG A 72 9.711 9.942 6.523 1.00 1.42 N ATOM 0 H ARG A 72 11.466 11.097 1.055 1.00 0.77 H new ATOM 0 HA ARG A 72 9.845 11.326 3.528 1.00 0.79 H new ATOM 0 HB2 ARG A 72 12.350 12.878 3.141 1.00 0.91 H new ATOM 0 HB3 ARG A 72 11.623 12.257 4.610 1.00 0.91 H new ATOM 0 HG2 ARG A 72 13.345 10.804 2.605 1.00 1.00 H new ATOM 0 HG3 ARG A 72 13.612 11.022 4.324 1.00 1.00 H new ATOM 0 HD2 ARG A 72 11.973 9.012 2.897 1.00 1.06 H new ATOM 0 HD3 ARG A 72 12.866 8.873 4.399 1.00 1.06 H new ATOM 0 HE ARG A 72 10.049 9.535 4.091 1.00 1.30 H new ATOM 0 HH11 ARG A 72 12.905 9.963 6.121 1.00 1.56 H new ATOM 0 HH12 ARG A 72 11.964 10.201 7.597 1.00 1.56 H new ATOM 0 HH21 ARG A 72 8.846 9.821 5.996 1.00 1.42 H new ATOM 0 HH22 ARG A 72 9.676 10.121 7.527 1.00 1.42 H new ATOM 1129 N PHE A 73 10.513 13.341 0.980 1.00 0.60 N ATOM 1130 CA PHE A 73 10.087 14.525 0.231 1.00 0.57 C ATOM 1131 C PHE A 73 8.933 14.226 -0.798 1.00 0.51 C ATOM 1132 O PHE A 73 7.806 14.061 -0.373 1.00 0.63 O ATOM 1133 CB PHE A 73 11.322 15.252 -0.387 1.00 0.64 C ATOM 1134 CG PHE A 73 11.921 14.693 -1.660 1.00 0.58 C ATOM 1135 CD1 PHE A 73 12.445 13.411 -1.726 1.00 1.36 C ATOM 1136 CD2 PHE A 73 11.941 15.466 -2.811 1.00 1.24 C ATOM 1137 CE1 PHE A 73 12.966 12.912 -2.891 1.00 1.44 C ATOM 1138 CE2 PHE A 73 12.468 14.971 -3.988 1.00 1.31 C ATOM 1139 CZ PHE A 73 12.980 13.690 -4.030 1.00 0.86 C ATOM 0 H PHE A 73 11.201 12.769 0.490 1.00 0.60 H new ATOM 0 HA PHE A 73 9.630 15.221 0.934 1.00 0.57 H new ATOM 0 HB2 PHE A 73 11.037 16.286 -0.580 1.00 0.64 H new ATOM 0 HB3 PHE A 73 12.107 15.274 0.368 1.00 0.64 H new ATOM 0 HD1 PHE A 73 12.442 12.793 -0.841 1.00 1.36 H new ATOM 0 HD2 PHE A 73 11.539 16.468 -2.787 1.00 1.24 H new ATOM 0 HE1 PHE A 73 13.366 11.909 -2.917 1.00 1.44 H new ATOM 0 HE2 PHE A 73 12.479 15.586 -4.875 1.00 1.31 H new ATOM 0 HZ PHE A 73 13.389 13.299 -4.950 1.00 0.86 H new ATOM 1149 N SER A 74 9.165 14.064 -2.114 1.00 0.48 N ATOM 1150 CA SER A 74 8.026 13.884 -3.048 1.00 0.46 C ATOM 1151 C SER A 74 7.967 12.531 -3.717 1.00 0.42 C ATOM 1152 O SER A 74 6.950 12.164 -4.308 1.00 0.47 O ATOM 1153 CB SER A 74 8.035 14.958 -4.134 1.00 0.60 C ATOM 1154 OG SER A 74 9.359 15.372 -4.431 1.00 1.01 O ATOM 0 H SER A 74 10.089 14.053 -2.546 1.00 0.48 H new ATOM 0 HA SER A 74 7.142 13.970 -2.416 1.00 0.46 H new ATOM 0 HB2 SER A 74 7.560 14.572 -5.036 1.00 0.60 H new ATOM 0 HB3 SER A 74 7.447 15.816 -3.807 1.00 0.60 H new ATOM 0 HG SER A 74 9.818 15.619 -3.601 1.00 1.01 H new ATOM 1160 N GLU A 75 9.033 11.799 -3.629 1.00 0.43 N ATOM 1161 CA GLU A 75 9.096 10.463 -4.229 1.00 0.42 C ATOM 1162 C GLU A 75 8.110 9.428 -3.616 1.00 0.42 C ATOM 1163 O GLU A 75 8.217 8.240 -3.917 1.00 0.55 O ATOM 1164 CB GLU A 75 10.516 9.910 -4.098 1.00 0.44 C ATOM 1165 CG GLU A 75 11.594 10.834 -4.609 1.00 0.60 C ATOM 1166 CD GLU A 75 11.722 10.801 -6.118 1.00 0.93 C ATOM 1167 OE1 GLU A 75 11.407 9.751 -6.715 1.00 1.42 O ATOM 1168 OE2 GLU A 75 12.135 11.825 -6.703 1.00 1.60 O ATOM 0 H GLU A 75 9.886 12.088 -3.149 1.00 0.43 H new ATOM 0 HA GLU A 75 8.802 10.598 -5.270 1.00 0.42 H new ATOM 0 HB2 GLU A 75 10.711 9.689 -3.049 1.00 0.44 H new ATOM 0 HB3 GLU A 75 10.577 8.966 -4.640 1.00 0.44 H new ATOM 0 HG2 GLU A 75 11.376 11.853 -4.289 1.00 0.60 H new ATOM 0 HG3 GLU A 75 12.548 10.556 -4.161 1.00 0.60 H new ATOM 1175 N TYR A 76 7.156 9.857 -2.768 1.00 0.38 N ATOM 1176 CA TYR A 76 6.233 8.926 -2.138 1.00 0.38 C ATOM 1177 C TYR A 76 5.462 8.153 -3.168 1.00 0.39 C ATOM 1178 O TYR A 76 4.909 7.100 -2.884 1.00 0.43 O ATOM 1179 CB TYR A 76 5.286 9.641 -1.165 1.00 0.40 C ATOM 1180 CG TYR A 76 5.780 9.673 0.254 1.00 0.41 C ATOM 1181 CD1 TYR A 76 6.589 8.667 0.746 1.00 1.22 C ATOM 1182 CD2 TYR A 76 5.470 10.732 1.090 1.00 1.29 C ATOM 1183 CE1 TYR A 76 7.073 8.696 2.009 1.00 1.25 C ATOM 1184 CE2 TYR A 76 5.963 10.779 2.377 1.00 1.30 C ATOM 1185 CZ TYR A 76 6.771 9.758 2.835 1.00 0.49 C ATOM 1186 OH TYR A 76 7.264 9.794 4.118 1.00 0.55 O ATOM 0 H TYR A 76 7.014 10.834 -2.513 1.00 0.38 H new ATOM 0 HA TYR A 76 6.826 8.219 -1.558 1.00 0.38 H new ATOM 0 HB2 TYR A 76 5.132 10.664 -1.509 1.00 0.40 H new ATOM 0 HB3 TYR A 76 4.315 9.147 -1.190 1.00 0.40 H new ATOM 0 HD1 TYR A 76 6.842 7.835 0.105 1.00 1.22 H new ATOM 0 HD2 TYR A 76 4.836 11.529 0.731 1.00 1.29 H new ATOM 0 HE1 TYR A 76 7.694 7.889 2.369 1.00 1.25 H new ATOM 0 HE2 TYR A 76 5.718 11.610 3.023 1.00 1.30 H new ATOM 0 HH TYR A 76 8.146 9.368 4.142 1.00 0.55 H new ATOM 1196 N TRP A 77 5.446 8.647 -4.381 1.00 0.39 N ATOM 1197 CA TRP A 77 4.778 7.930 -5.438 1.00 0.43 C ATOM 1198 C TRP A 77 5.413 6.552 -5.586 1.00 0.45 C ATOM 1199 O TRP A 77 4.855 5.683 -6.248 1.00 0.49 O ATOM 1200 CB TRP A 77 4.874 8.684 -6.752 1.00 0.44 C ATOM 1201 CG TRP A 77 6.284 8.954 -7.137 1.00 0.44 C ATOM 1202 CD1 TRP A 77 7.223 8.037 -7.498 1.00 0.49 C ATOM 1203 CD2 TRP A 77 6.921 10.226 -7.177 1.00 0.45 C ATOM 1204 NE1 TRP A 77 8.410 8.666 -7.766 1.00 0.52 N ATOM 1205 CE2 TRP A 77 8.249 10.016 -7.581 1.00 0.50 C ATOM 1206 CE3 TRP A 77 6.490 11.522 -6.914 1.00 0.46 C ATOM 1207 CZ2 TRP A 77 9.153 11.065 -7.728 1.00 0.55 C ATOM 1208 CZ3 TRP A 77 7.382 12.561 -7.056 1.00 0.51 C ATOM 1209 CH2 TRP A 77 8.702 12.329 -7.461 1.00 0.55 C ATOM 0 H TRP A 77 5.880 9.527 -4.658 1.00 0.39 H new ATOM 0 HA TRP A 77 3.723 7.829 -5.182 1.00 0.43 H new ATOM 0 HB2 TRP A 77 4.388 8.106 -7.538 1.00 0.44 H new ATOM 0 HB3 TRP A 77 4.334 9.627 -6.669 1.00 0.44 H new ATOM 0 HD1 TRP A 77 7.057 6.972 -7.563 1.00 0.49 H new ATOM 0 HE1 TRP A 77 9.273 8.206 -8.056 1.00 0.52 H new ATOM 0 HE3 TRP A 77 5.473 11.710 -6.604 1.00 0.46 H new ATOM 0 HZ2 TRP A 77 10.171 10.888 -8.041 1.00 0.55 H new ATOM 0 HZ3 TRP A 77 7.058 13.571 -6.852 1.00 0.51 H new ATOM 0 HH2 TRP A 77 9.378 13.165 -7.565 1.00 0.55 H new ATOM 1220 N ARG A 78 6.601 6.348 -4.982 1.00 0.43 N ATOM 1221 CA ARG A 78 7.248 5.063 -5.059 1.00 0.47 C ATOM 1222 C ARG A 78 6.582 4.079 -4.118 1.00 0.49 C ATOM 1223 O ARG A 78 6.286 2.956 -4.519 1.00 0.61 O ATOM 1224 CB ARG A 78 8.727 5.203 -4.762 1.00 0.50 C ATOM 1225 CG ARG A 78 9.533 5.556 -5.986 1.00 0.60 C ATOM 1226 CD ARG A 78 9.311 4.558 -7.113 1.00 0.77 C ATOM 1227 NE ARG A 78 9.346 3.177 -6.634 1.00 1.48 N ATOM 1228 CZ ARG A 78 8.979 2.132 -7.366 1.00 1.75 C ATOM 1229 NH1 ARG A 78 8.571 2.305 -8.615 1.00 1.37 N ATOM 1230 NH2 ARG A 78 9.024 0.910 -6.850 1.00 2.82 N ATOM 0 H ARG A 78 7.108 7.055 -4.450 1.00 0.43 H new ATOM 0 HA ARG A 78 7.146 4.673 -6.072 1.00 0.47 H new ATOM 0 HB2 ARG A 78 8.870 5.972 -4.003 1.00 0.50 H new ATOM 0 HB3 ARG A 78 9.100 4.268 -4.343 1.00 0.50 H new ATOM 0 HG2 ARG A 78 9.260 6.555 -6.326 1.00 0.60 H new ATOM 0 HG3 ARG A 78 10.592 5.585 -5.729 1.00 0.60 H new ATOM 0 HD2 ARG A 78 8.349 4.754 -7.587 1.00 0.77 H new ATOM 0 HD3 ARG A 78 10.076 4.697 -7.877 1.00 0.77 H new ATOM 0 HE ARG A 78 9.671 3.007 -5.682 1.00 1.48 H new ATOM 0 HH11 ARG A 78 8.539 3.242 -9.016 1.00 1.37 H new ATOM 0 HH12 ARG A 78 8.290 1.501 -9.176 1.00 1.37 H new ATOM 0 HH21 ARG A 78 9.341 0.773 -5.890 1.00 2.82 H new ATOM 0 HH22 ARG A 78 8.742 0.108 -7.413 1.00 2.82 H new ATOM 1244 N LEU A 79 6.303 4.497 -2.870 1.00 0.43 N ATOM 1245 CA LEU A 79 5.623 3.606 -1.930 1.00 0.46 C ATOM 1246 C LEU A 79 4.398 3.020 -2.602 1.00 0.47 C ATOM 1247 O LEU A 79 3.937 1.932 -2.259 1.00 0.53 O ATOM 1248 CB LEU A 79 5.147 4.323 -0.660 1.00 0.55 C ATOM 1249 CG LEU A 79 5.852 5.614 -0.286 1.00 0.63 C ATOM 1250 CD1 LEU A 79 5.241 6.163 0.995 1.00 1.24 C ATOM 1251 CD2 LEU A 79 7.336 5.380 -0.126 1.00 0.89 C ATOM 0 H LEU A 79 6.532 5.420 -2.502 1.00 0.43 H new ATOM 0 HA LEU A 79 6.347 2.843 -1.644 1.00 0.46 H new ATOM 0 HB2 LEU A 79 4.084 4.539 -0.772 1.00 0.55 H new ATOM 0 HB3 LEU A 79 5.245 3.630 0.176 1.00 0.55 H new ATOM 0 HG LEU A 79 5.720 6.346 -1.083 1.00 0.63 H new ATOM 0 HD11 LEU A 79 5.743 7.091 1.269 1.00 1.24 H new ATOM 0 HD12 LEU A 79 4.180 6.357 0.838 1.00 1.24 H new ATOM 0 HD13 LEU A 79 5.361 5.435 1.797 1.00 1.24 H new ATOM 0 HD21 LEU A 79 7.825 6.316 0.142 1.00 0.89 H new ATOM 0 HD22 LEU A 79 7.506 4.644 0.660 1.00 0.89 H new ATOM 0 HD23 LEU A 79 7.749 5.010 -1.064 1.00 0.89 H new ATOM 1263 N ILE A 80 3.879 3.764 -3.572 1.00 0.46 N ATOM 1264 CA ILE A 80 2.706 3.362 -4.296 1.00 0.49 C ATOM 1265 C ILE A 80 2.752 1.882 -4.691 1.00 0.49 C ATOM 1266 O ILE A 80 1.857 1.113 -4.340 1.00 0.51 O ATOM 1267 CB ILE A 80 2.463 4.309 -5.509 1.00 0.53 C ATOM 1268 CG1 ILE A 80 0.967 4.561 -5.701 1.00 0.60 C ATOM 1269 CG2 ILE A 80 3.067 3.774 -6.795 1.00 0.57 C ATOM 1270 CD1 ILE A 80 0.660 5.579 -6.779 1.00 1.16 C ATOM 0 H ILE A 80 4.268 4.659 -3.869 1.00 0.46 H new ATOM 0 HA ILE A 80 1.846 3.459 -3.634 1.00 0.49 H new ATOM 0 HB ILE A 80 2.965 5.249 -5.280 1.00 0.53 H new ATOM 0 HG12 ILE A 80 0.477 3.620 -5.951 1.00 0.60 H new ATOM 0 HG13 ILE A 80 0.540 4.902 -4.758 1.00 0.60 H new ATOM 0 HG21 ILE A 80 2.869 4.472 -7.608 1.00 0.57 H new ATOM 0 HG22 ILE A 80 4.144 3.658 -6.671 1.00 0.57 H new ATOM 0 HG23 ILE A 80 2.623 2.807 -7.031 1.00 0.57 H new ATOM 0 HD11 ILE A 80 -0.419 5.708 -6.861 1.00 1.16 H new ATOM 0 HD12 ILE A 80 1.121 6.532 -6.521 1.00 1.16 H new ATOM 0 HD13 ILE A 80 1.057 5.230 -7.732 1.00 1.16 H new ATOM 1282 N GLY A 81 3.788 1.488 -5.418 1.00 0.48 N ATOM 1283 CA GLY A 81 3.929 0.099 -5.804 1.00 0.49 C ATOM 1284 C GLY A 81 4.550 -0.739 -4.696 1.00 0.43 C ATOM 1285 O GLY A 81 4.657 -1.959 -4.820 1.00 0.43 O ATOM 0 H GLY A 81 4.532 2.104 -5.747 1.00 0.48 H new ATOM 0 HA2 GLY A 81 2.951 -0.307 -6.061 1.00 0.49 H new ATOM 0 HA3 GLY A 81 4.547 0.032 -6.699 1.00 0.49 H new ATOM 1289 N GLU A 82 4.953 -0.078 -3.609 1.00 0.41 N ATOM 1290 CA GLU A 82 5.596 -0.757 -2.479 1.00 0.39 C ATOM 1291 C GLU A 82 4.571 -1.384 -1.558 1.00 0.33 C ATOM 1292 O GLU A 82 4.525 -2.602 -1.390 1.00 0.34 O ATOM 1293 CB GLU A 82 6.431 0.230 -1.681 1.00 0.43 C ATOM 1294 CG GLU A 82 7.536 0.888 -2.488 1.00 0.46 C ATOM 1295 CD GLU A 82 8.536 -0.112 -3.036 1.00 0.71 C ATOM 1296 OE1 GLU A 82 9.408 -0.565 -2.265 1.00 1.39 O ATOM 1297 OE2 GLU A 82 8.445 -0.442 -4.237 1.00 1.47 O ATOM 0 H GLU A 82 4.846 0.929 -3.486 1.00 0.41 H new ATOM 0 HA GLU A 82 6.232 -1.542 -2.887 1.00 0.39 H new ATOM 0 HB2 GLU A 82 5.777 1.004 -1.279 1.00 0.43 H new ATOM 0 HB3 GLU A 82 6.874 -0.287 -0.830 1.00 0.43 H new ATOM 0 HG2 GLU A 82 7.094 1.444 -3.315 1.00 0.46 H new ATOM 0 HG3 GLU A 82 8.058 1.611 -1.860 1.00 0.46 H new ATOM 1304 N LEU A 83 3.746 -0.530 -0.952 1.00 0.34 N ATOM 1305 CA LEU A 83 2.700 -0.990 -0.046 1.00 0.35 C ATOM 1306 C LEU A 83 1.885 -2.083 -0.712 1.00 0.35 C ATOM 1307 O LEU A 83 1.168 -2.828 -0.049 1.00 0.43 O ATOM 1308 CB LEU A 83 1.789 0.166 0.375 1.00 0.43 C ATOM 1309 CG LEU A 83 2.402 1.178 1.353 1.00 0.50 C ATOM 1310 CD1 LEU A 83 3.547 1.942 0.708 1.00 1.26 C ATOM 1311 CD2 LEU A 83 1.333 2.141 1.848 1.00 1.31 C ATOM 0 H LEU A 83 3.784 0.482 -1.073 1.00 0.34 H new ATOM 0 HA LEU A 83 3.174 -1.390 0.851 1.00 0.35 H new ATOM 0 HB2 LEU A 83 1.474 0.700 -0.521 1.00 0.43 H new ATOM 0 HB3 LEU A 83 0.890 -0.251 0.829 1.00 0.43 H new ATOM 0 HG LEU A 83 2.805 0.628 2.203 1.00 0.50 H new ATOM 0 HD11 LEU A 83 3.961 2.651 1.425 1.00 1.26 H new ATOM 0 HD12 LEU A 83 4.324 1.242 0.400 1.00 1.26 H new ATOM 0 HD13 LEU A 83 3.179 2.482 -0.164 1.00 1.26 H new ATOM 0 HD21 LEU A 83 1.779 2.854 2.541 1.00 1.31 H new ATOM 0 HD22 LEU A 83 0.906 2.677 1.001 1.00 1.31 H new ATOM 0 HD23 LEU A 83 0.548 1.582 2.357 1.00 1.31 H new ATOM 1323 N ALA A 84 1.955 -2.135 -2.036 1.00 0.34 N ATOM 1324 CA ALA A 84 1.274 -3.165 -2.782 1.00 0.37 C ATOM 1325 C ALA A 84 2.064 -4.463 -2.775 1.00 0.41 C ATOM 1326 O ALA A 84 1.476 -5.536 -2.741 1.00 0.48 O ATOM 1327 CB ALA A 84 1.037 -2.712 -4.204 1.00 0.42 C ATOM 0 H ALA A 84 2.478 -1.472 -2.608 1.00 0.34 H new ATOM 0 HA ALA A 84 0.314 -3.348 -2.300 1.00 0.37 H new ATOM 0 HB1 ALA A 84 0.522 -3.499 -4.756 1.00 0.42 H new ATOM 0 HB2 ALA A 84 0.424 -1.810 -4.201 1.00 0.42 H new ATOM 0 HB3 ALA A 84 1.993 -2.499 -4.682 1.00 0.42 H new ATOM 1333 N LYS A 85 3.400 -4.370 -2.811 1.00 0.42 N ATOM 1334 CA LYS A 85 4.257 -5.565 -2.801 1.00 0.51 C ATOM 1335 C LYS A 85 3.730 -6.583 -1.807 1.00 0.50 C ATOM 1336 O LYS A 85 3.429 -7.724 -2.154 1.00 0.67 O ATOM 1337 CB LYS A 85 5.700 -5.190 -2.452 1.00 0.62 C ATOM 1338 CG LYS A 85 6.303 -4.158 -3.389 1.00 1.18 C ATOM 1339 CD LYS A 85 6.455 -4.707 -4.799 1.00 1.42 C ATOM 1340 CE LYS A 85 7.178 -6.043 -4.794 1.00 1.55 C ATOM 1341 NZ LYS A 85 7.771 -6.361 -6.122 1.00 2.69 N ATOM 0 H LYS A 85 3.909 -3.487 -2.847 1.00 0.42 H new ATOM 0 HA LYS A 85 4.243 -6.005 -3.798 1.00 0.51 H new ATOM 0 HB2 LYS A 85 5.730 -4.805 -1.433 1.00 0.62 H new ATOM 0 HB3 LYS A 85 6.315 -6.090 -2.471 1.00 0.62 H new ATOM 0 HG2 LYS A 85 5.671 -3.270 -3.409 1.00 1.18 H new ATOM 0 HG3 LYS A 85 7.277 -3.847 -3.011 1.00 1.18 H new ATOM 0 HD2 LYS A 85 5.472 -4.825 -5.254 1.00 1.42 H new ATOM 0 HD3 LYS A 85 7.007 -3.994 -5.412 1.00 1.42 H new ATOM 0 HE2 LYS A 85 7.965 -6.027 -4.040 1.00 1.55 H new ATOM 0 HE3 LYS A 85 6.481 -6.831 -4.510 1.00 1.55 H new ATOM 0 HZ1 LYS A 85 8.685 -6.839 -5.989 1.00 2.69 H new ATOM 0 HZ2 LYS A 85 7.127 -6.985 -6.649 1.00 2.69 H new ATOM 0 HZ3 LYS A 85 7.916 -5.481 -6.657 1.00 2.69 H new ATOM 1355 N GLU A 86 3.605 -6.140 -0.578 1.00 0.45 N ATOM 1356 CA GLU A 86 3.092 -6.963 0.486 1.00 0.45 C ATOM 1357 C GLU A 86 1.731 -7.539 0.111 1.00 0.44 C ATOM 1358 O GLU A 86 1.411 -8.679 0.446 1.00 0.46 O ATOM 1359 CB GLU A 86 2.961 -6.136 1.768 1.00 0.48 C ATOM 1360 CG GLU A 86 2.709 -4.662 1.535 1.00 0.98 C ATOM 1361 CD GLU A 86 1.992 -3.978 2.680 1.00 2.08 C ATOM 1362 OE1 GLU A 86 1.114 -4.614 3.299 1.00 2.91 O ATOM 1363 OE2 GLU A 86 2.304 -2.799 2.953 1.00 2.61 O ATOM 0 H GLU A 86 3.858 -5.195 -0.289 1.00 0.45 H new ATOM 0 HA GLU A 86 3.788 -7.785 0.651 1.00 0.45 H new ATOM 0 HB2 GLU A 86 2.146 -6.542 2.367 1.00 0.48 H new ATOM 0 HB3 GLU A 86 3.873 -6.249 2.354 1.00 0.48 H new ATOM 0 HG2 GLU A 86 3.662 -4.162 1.365 1.00 0.98 H new ATOM 0 HG3 GLU A 86 2.120 -4.543 0.626 1.00 0.98 H new ATOM 1370 N VAL A 87 0.937 -6.736 -0.587 1.00 0.44 N ATOM 1371 CA VAL A 87 -0.397 -7.142 -1.001 1.00 0.46 C ATOM 1372 C VAL A 87 -0.358 -8.011 -2.255 1.00 0.47 C ATOM 1373 O VAL A 87 -1.262 -8.810 -2.503 1.00 0.54 O ATOM 1374 CB VAL A 87 -1.291 -5.906 -1.255 1.00 0.54 C ATOM 1375 CG1 VAL A 87 -2.671 -6.315 -1.741 1.00 1.00 C ATOM 1376 CG2 VAL A 87 -1.396 -5.060 0.005 1.00 0.81 C ATOM 0 H VAL A 87 1.198 -5.794 -0.879 1.00 0.44 H new ATOM 0 HA VAL A 87 -0.820 -7.732 -0.188 1.00 0.46 H new ATOM 0 HB VAL A 87 -0.826 -5.309 -2.039 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -3.276 -5.424 -1.911 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -2.578 -6.873 -2.673 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -3.151 -6.941 -0.989 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -2.028 -4.194 -0.190 1.00 0.81 H new ATOM 0 HG22 VAL A 87 -1.833 -5.655 0.807 1.00 0.81 H new ATOM 0 HG23 VAL A 87 -0.402 -4.724 0.302 1.00 0.81 H new ATOM 1386 N ARG A 88 0.702 -7.862 -3.031 1.00 0.50 N ATOM 1387 CA ARG A 88 0.857 -8.596 -4.276 1.00 0.52 C ATOM 1388 C ARG A 88 0.803 -10.107 -4.063 1.00 0.50 C ATOM 1389 O ARG A 88 0.062 -10.804 -4.754 1.00 0.59 O ATOM 1390 CB ARG A 88 2.165 -8.178 -4.949 1.00 0.56 C ATOM 1391 CG ARG A 88 2.179 -8.380 -6.457 1.00 0.67 C ATOM 1392 CD ARG A 88 2.113 -9.851 -6.830 1.00 1.33 C ATOM 1393 NE ARG A 88 3.158 -10.633 -6.174 1.00 1.83 N ATOM 1394 CZ ARG A 88 3.202 -11.960 -6.187 1.00 2.72 C ATOM 1395 NH1 ARG A 88 2.257 -12.651 -6.809 1.00 3.25 N ATOM 1396 NH2 ARG A 88 4.191 -12.599 -5.575 1.00 3.50 N ATOM 0 H ARG A 88 1.476 -7.232 -2.818 1.00 0.50 H new ATOM 0 HA ARG A 88 0.020 -8.348 -4.928 1.00 0.52 H new ATOM 0 HB2 ARG A 88 2.353 -7.126 -4.732 1.00 0.56 H new ATOM 0 HB3 ARG A 88 2.985 -8.746 -4.509 1.00 0.56 H new ATOM 0 HG2 ARG A 88 1.334 -7.854 -6.902 1.00 0.67 H new ATOM 0 HG3 ARG A 88 3.085 -7.940 -6.874 1.00 0.67 H new ATOM 0 HD2 ARG A 88 1.136 -10.250 -6.556 1.00 1.33 H new ATOM 0 HD3 ARG A 88 2.208 -9.955 -7.911 1.00 1.33 H new ATOM 0 HE ARG A 88 3.895 -10.132 -5.678 1.00 1.83 H new ATOM 0 HH11 ARG A 88 1.494 -12.163 -7.279 1.00 3.25 H new ATOM 0 HH12 ARG A 88 2.293 -13.670 -6.818 1.00 3.25 H new ATOM 0 HH21 ARG A 88 4.919 -12.071 -5.094 1.00 3.50 H new ATOM 0 HH22 ARG A 88 4.223 -13.618 -5.586 1.00 3.50 H new ATOM 1410 N LYS A 89 1.571 -10.616 -3.108 1.00 0.47 N ATOM 1411 CA LYS A 89 1.566 -12.049 -2.839 1.00 0.49 C ATOM 1412 C LYS A 89 0.349 -12.401 -2.016 1.00 0.49 C ATOM 1413 O LYS A 89 -0.237 -13.475 -2.160 1.00 0.55 O ATOM 1414 CB LYS A 89 2.818 -12.495 -2.090 1.00 0.56 C ATOM 1415 CG LYS A 89 3.115 -11.676 -0.832 1.00 0.70 C ATOM 1416 CD LYS A 89 3.984 -10.422 -1.062 1.00 1.55 C ATOM 1417 CE LYS A 89 4.635 -10.348 -2.445 1.00 2.44 C ATOM 1418 NZ LYS A 89 5.460 -9.122 -2.621 1.00 3.29 N ATOM 0 H LYS A 89 2.196 -10.069 -2.515 1.00 0.47 H new ATOM 0 HA LYS A 89 1.545 -12.565 -3.799 1.00 0.49 H new ATOM 0 HB2 LYS A 89 2.708 -13.543 -1.811 1.00 0.56 H new ATOM 0 HB3 LYS A 89 3.673 -12.432 -2.763 1.00 0.56 H new ATOM 0 HG2 LYS A 89 2.170 -11.368 -0.385 1.00 0.70 H new ATOM 0 HG3 LYS A 89 3.615 -12.319 -0.108 1.00 0.70 H new ATOM 0 HD2 LYS A 89 3.367 -9.536 -0.917 1.00 1.55 H new ATOM 0 HD3 LYS A 89 4.766 -10.393 -0.304 1.00 1.55 H new ATOM 0 HE2 LYS A 89 5.260 -11.228 -2.596 1.00 2.44 H new ATOM 0 HE3 LYS A 89 3.859 -10.373 -3.210 1.00 2.44 H new ATOM 0 HZ1 LYS A 89 6.250 -9.325 -3.266 1.00 3.29 H new ATOM 0 HZ2 LYS A 89 4.873 -8.363 -3.021 1.00 3.29 H new ATOM 0 HZ3 LYS A 89 5.835 -8.820 -1.699 1.00 3.29 H new ATOM 1432 N GLU A 90 -0.022 -11.474 -1.148 1.00 0.47 N ATOM 1433 CA GLU A 90 -1.170 -11.648 -0.288 1.00 0.52 C ATOM 1434 C GLU A 90 -2.431 -11.903 -1.117 1.00 0.55 C ATOM 1435 O GLU A 90 -3.425 -12.414 -0.603 1.00 0.62 O ATOM 1436 CB GLU A 90 -1.320 -10.423 0.616 1.00 0.55 C ATOM 1437 CG GLU A 90 -0.378 -10.440 1.808 1.00 0.62 C ATOM 1438 CD GLU A 90 -0.594 -11.639 2.709 1.00 1.26 C ATOM 1439 OE1 GLU A 90 -0.020 -12.711 2.420 1.00 1.97 O ATOM 1440 OE2 GLU A 90 -1.337 -11.507 3.704 1.00 1.95 O ATOM 0 H GLU A 90 0.464 -10.586 -1.024 1.00 0.47 H new ATOM 0 HA GLU A 90 -1.022 -12.523 0.345 1.00 0.52 H new ATOM 0 HB2 GLU A 90 -1.138 -9.522 0.030 1.00 0.55 H new ATOM 0 HB3 GLU A 90 -2.348 -10.367 0.974 1.00 0.55 H new ATOM 0 HG2 GLU A 90 0.652 -10.440 1.451 1.00 0.62 H new ATOM 0 HG3 GLU A 90 -0.515 -9.527 2.387 1.00 0.62 H new ATOM 1447 N LYS A 91 -2.383 -11.553 -2.406 1.00 0.54 N ATOM 1448 CA LYS A 91 -3.516 -11.780 -3.296 1.00 0.61 C ATOM 1449 C LYS A 91 -3.883 -13.259 -3.295 1.00 0.63 C ATOM 1450 O LYS A 91 -5.046 -13.627 -3.126 1.00 0.70 O ATOM 1451 CB LYS A 91 -3.194 -11.304 -4.720 1.00 0.62 C ATOM 1452 CG LYS A 91 -2.280 -12.232 -5.503 1.00 0.61 C ATOM 1453 CD LYS A 91 -1.884 -11.616 -6.837 1.00 0.67 C ATOM 1454 CE LYS A 91 -1.120 -12.604 -7.705 1.00 0.70 C ATOM 1455 NZ LYS A 91 -1.977 -13.745 -8.133 1.00 1.38 N ATOM 0 H LYS A 91 -1.576 -11.115 -2.850 1.00 0.54 H new ATOM 0 HA LYS A 91 -4.367 -11.203 -2.935 1.00 0.61 H new ATOM 0 HB2 LYS A 91 -4.128 -11.185 -5.270 1.00 0.62 H new ATOM 0 HB3 LYS A 91 -2.730 -10.319 -4.664 1.00 0.62 H new ATOM 0 HG2 LYS A 91 -1.385 -12.445 -4.918 1.00 0.61 H new ATOM 0 HG3 LYS A 91 -2.783 -13.184 -5.674 1.00 0.61 H new ATOM 0 HD2 LYS A 91 -2.778 -11.283 -7.364 1.00 0.67 H new ATOM 0 HD3 LYS A 91 -1.269 -10.733 -6.663 1.00 0.67 H new ATOM 0 HE2 LYS A 91 -0.733 -12.090 -8.585 1.00 0.70 H new ATOM 0 HE3 LYS A 91 -0.260 -12.983 -7.153 1.00 0.70 H new ATOM 0 HZ1 LYS A 91 -1.514 -14.253 -8.913 1.00 1.38 H new ATOM 0 HZ2 LYS A 91 -2.117 -14.393 -7.332 1.00 1.38 H new ATOM 0 HZ3 LYS A 91 -2.899 -13.386 -8.453 1.00 1.38 H new ATOM 1469 N ALA A 92 -2.873 -14.097 -3.485 1.00 0.61 N ATOM 1470 CA ALA A 92 -3.059 -15.546 -3.507 1.00 0.66 C ATOM 1471 C ALA A 92 -3.093 -16.151 -2.107 1.00 0.64 C ATOM 1472 O ALA A 92 -3.675 -17.214 -1.906 1.00 0.70 O ATOM 1473 CB ALA A 92 -1.972 -16.205 -4.344 1.00 0.75 C ATOM 0 H ALA A 92 -1.908 -13.798 -3.627 1.00 0.61 H new ATOM 0 HA ALA A 92 -4.031 -15.738 -3.961 1.00 0.66 H new ATOM 0 HB1 ALA A 92 -2.123 -17.284 -4.352 1.00 0.75 H new ATOM 0 HB2 ALA A 92 -2.018 -15.825 -5.365 1.00 0.75 H new ATOM 0 HB3 ALA A 92 -0.996 -15.978 -3.916 1.00 0.75 H new ATOM 1479 N LEU A 93 -2.438 -15.511 -1.146 1.00 0.62 N ATOM 1480 CA LEU A 93 -2.436 -16.029 0.220 1.00 0.66 C ATOM 1481 C LEU A 93 -3.688 -15.633 0.977 1.00 0.59 C ATOM 1482 O LEU A 93 -4.134 -16.365 1.859 1.00 0.64 O ATOM 1483 CB LEU A 93 -1.208 -15.589 1.005 1.00 0.75 C ATOM 1484 CG LEU A 93 -0.867 -16.547 2.142 1.00 0.82 C ATOM 1485 CD1 LEU A 93 0.134 -17.593 1.677 1.00 1.03 C ATOM 1486 CD2 LEU A 93 -0.340 -15.785 3.348 1.00 0.95 C ATOM 0 H LEU A 93 -1.910 -14.649 -1.281 1.00 0.62 H new ATOM 0 HA LEU A 93 -2.411 -17.114 0.124 1.00 0.66 H new ATOM 0 HB2 LEU A 93 -0.356 -15.515 0.329 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -1.379 -14.593 1.413 1.00 0.75 H new ATOM 0 HG LEU A 93 -1.779 -17.062 2.443 1.00 0.82 H new ATOM 0 HD11 LEU A 93 0.365 -18.267 2.502 1.00 1.03 H new ATOM 0 HD12 LEU A 93 -0.292 -18.162 0.851 1.00 1.03 H new ATOM 0 HD13 LEU A 93 1.048 -17.100 1.345 1.00 1.03 H new ATOM 0 HD21 LEU A 93 -0.103 -16.487 4.147 1.00 0.95 H new ATOM 0 HD22 LEU A 93 0.560 -15.237 3.068 1.00 0.95 H new ATOM 0 HD23 LEU A 93 -1.099 -15.083 3.695 1.00 0.95 H new ATOM 1498 N GLY A 94 -4.253 -14.475 0.646 1.00 0.53 N ATOM 1499 CA GLY A 94 -5.463 -14.026 1.320 1.00 0.52 C ATOM 1500 C GLY A 94 -6.458 -15.143 1.491 1.00 0.52 C ATOM 1501 O GLY A 94 -7.150 -15.228 2.504 1.00 0.57 O ATOM 0 H GLY A 94 -3.899 -13.842 -0.071 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -5.204 -13.618 2.297 1.00 0.52 H new ATOM 0 HA3 GLY A 94 -5.919 -13.218 0.748 1.00 0.52 H new ATOM 1505 N ILE A 95 -6.523 -16.002 0.482 1.00 0.54 N ATOM 1506 CA ILE A 95 -7.446 -17.112 0.499 1.00 0.57 C ATOM 1507 C ILE A 95 -7.028 -18.140 1.518 1.00 0.61 C ATOM 1508 O ILE A 95 -6.690 -19.266 1.174 1.00 0.67 O ATOM 1509 CB ILE A 95 -7.567 -17.778 -0.880 1.00 0.63 C ATOM 1510 CG1 ILE A 95 -6.188 -18.026 -1.476 1.00 1.32 C ATOM 1511 CG2 ILE A 95 -8.386 -16.906 -1.802 1.00 1.09 C ATOM 1512 CD1 ILE A 95 -6.199 -18.984 -2.645 1.00 1.68 C ATOM 0 H ILE A 95 -5.944 -15.945 -0.356 1.00 0.54 H new ATOM 0 HA ILE A 95 -8.421 -16.708 0.770 1.00 0.57 H new ATOM 0 HB ILE A 95 -8.068 -18.739 -0.762 1.00 0.63 H new ATOM 0 HG12 ILE A 95 -5.765 -17.075 -1.800 1.00 1.32 H new ATOM 0 HG13 ILE A 95 -5.531 -18.420 -0.700 1.00 1.32 H new ATOM 0 HG21 ILE A 95 -8.468 -17.384 -2.778 1.00 1.09 H new ATOM 0 HG22 ILE A 95 -9.382 -16.767 -1.382 1.00 1.09 H new ATOM 0 HG23 ILE A 95 -7.900 -15.937 -1.913 1.00 1.09 H new ATOM 0 HD11 ILE A 95 -5.183 -19.113 -3.019 1.00 1.68 H new ATOM 0 HD12 ILE A 95 -6.592 -19.948 -2.322 1.00 1.68 H new ATOM 0 HD13 ILE A 95 -6.829 -18.583 -3.438 1.00 1.68 H new ATOM 1524 N ARG A 96 -7.024 -17.735 2.773 1.00 0.64 N ATOM 1525 CA ARG A 96 -6.679 -18.634 3.848 1.00 0.74 C ATOM 1526 C ARG A 96 -7.804 -19.656 4.023 1.00 0.82 C ATOM 1527 O ARG A 96 -7.626 -20.690 4.666 1.00 0.93 O ATOM 1528 CB ARG A 96 -6.437 -17.832 5.122 1.00 0.84 C ATOM 1529 CG ARG A 96 -5.015 -17.317 5.261 1.00 1.65 C ATOM 1530 CD ARG A 96 -4.031 -18.443 5.523 1.00 2.45 C ATOM 1531 NE ARG A 96 -4.102 -18.920 6.900 1.00 2.91 N ATOM 1532 CZ ARG A 96 -3.291 -19.848 7.398 1.00 3.85 C ATOM 1533 NH1 ARG A 96 -2.364 -20.402 6.629 1.00 4.47 N ATOM 1534 NH2 ARG A 96 -3.407 -20.223 8.664 1.00 4.48 N ATOM 0 H ARG A 96 -7.257 -16.787 3.070 1.00 0.64 H new ATOM 0 HA ARG A 96 -5.761 -19.175 3.617 1.00 0.74 H new ATOM 0 HB2 ARG A 96 -7.124 -16.986 5.144 1.00 0.84 H new ATOM 0 HB3 ARG A 96 -6.673 -18.456 5.984 1.00 0.84 H new ATOM 0 HG2 ARG A 96 -4.729 -16.789 4.351 1.00 1.65 H new ATOM 0 HG3 ARG A 96 -4.968 -16.596 6.077 1.00 1.65 H new ATOM 0 HD2 ARG A 96 -4.235 -19.269 4.842 1.00 2.45 H new ATOM 0 HD3 ARG A 96 -3.019 -18.097 5.310 1.00 2.45 H new ATOM 0 HE ARG A 96 -4.812 -18.520 7.513 1.00 2.91 H new ATOM 0 HH11 ARG A 96 -2.273 -20.116 5.654 1.00 4.47 H new ATOM 0 HH12 ARG A 96 -1.742 -21.114 7.012 1.00 4.47 H new ATOM 0 HH21 ARG A 96 -4.120 -19.799 9.258 1.00 4.48 H new ATOM 0 HH22 ARG A 96 -2.784 -20.935 9.044 1.00 4.48 H new ATOM 1548 N LYS A 97 -8.972 -19.346 3.439 1.00 0.83 N ATOM 1549 CA LYS A 97 -10.111 -20.249 3.472 1.00 0.95 C ATOM 1550 C LYS A 97 -10.186 -20.998 2.148 1.00 0.94 C ATOM 1551 O LYS A 97 -10.924 -20.609 1.242 1.00 0.98 O ATOM 1552 CB LYS A 97 -11.429 -19.491 3.721 1.00 1.06 C ATOM 1553 CG LYS A 97 -11.386 -17.995 3.411 1.00 0.99 C ATOM 1554 CD LYS A 97 -10.671 -17.224 4.504 1.00 1.56 C ATOM 1555 CE LYS A 97 -10.099 -15.924 3.972 1.00 1.85 C ATOM 1556 NZ LYS A 97 -9.523 -15.083 5.056 1.00 2.92 N ATOM 0 H LYS A 97 -9.143 -18.473 2.940 1.00 0.83 H new ATOM 0 HA LYS A 97 -9.974 -20.950 4.296 1.00 0.95 H new ATOM 0 HB2 LYS A 97 -12.213 -19.949 3.117 1.00 1.06 H new ATOM 0 HB3 LYS A 97 -11.713 -19.622 4.765 1.00 1.06 H new ATOM 0 HG2 LYS A 97 -10.880 -17.833 2.459 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -12.402 -17.615 3.301 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -11.365 -17.013 5.318 1.00 1.56 H new ATOM 0 HD3 LYS A 97 -9.869 -17.835 4.919 1.00 1.56 H new ATOM 0 HE2 LYS A 97 -9.327 -16.143 3.234 1.00 1.85 H new ATOM 0 HE3 LYS A 97 -10.882 -15.367 3.458 1.00 1.85 H new ATOM 0 HZ1 LYS A 97 -9.113 -14.220 4.645 1.00 2.92 H new ATOM 0 HZ2 LYS A 97 -10.272 -14.824 5.729 1.00 2.92 H new ATOM 0 HZ3 LYS A 97 -8.781 -15.617 5.552 1.00 2.92 H new ATOM 1570 N LYS A 98 -9.409 -22.068 2.041 1.00 0.97 N ATOM 1571 CA LYS A 98 -9.371 -22.871 0.826 1.00 1.06 C ATOM 1572 C LYS A 98 -10.046 -24.221 1.043 1.00 1.22 C ATOM 1573 O LYS A 98 -9.347 -25.172 1.452 1.00 1.61 O ATOM 1574 CB LYS A 98 -7.921 -23.076 0.370 1.00 1.08 C ATOM 1575 CG LYS A 98 -7.159 -21.780 0.119 1.00 1.07 C ATOM 1576 CD LYS A 98 -5.936 -22.013 -0.753 1.00 1.51 C ATOM 1577 CE LYS A 98 -6.322 -22.480 -2.146 1.00 2.00 C ATOM 1578 NZ LYS A 98 -5.147 -22.526 -3.060 1.00 2.74 N ATOM 1579 OXT LYS A 98 -11.268 -24.318 0.802 1.00 1.70 O ATOM 0 H LYS A 98 -8.794 -22.401 2.784 1.00 0.97 H new ATOM 0 HA LYS A 98 -9.917 -22.336 0.049 1.00 1.06 H new ATOM 0 HB2 LYS A 98 -7.392 -23.655 1.127 1.00 1.08 H new ATOM 0 HB3 LYS A 98 -7.919 -23.669 -0.545 1.00 1.08 H new ATOM 0 HG2 LYS A 98 -7.818 -21.057 -0.362 1.00 1.07 H new ATOM 0 HG3 LYS A 98 -6.851 -21.347 1.071 1.00 1.07 H new ATOM 0 HD2 LYS A 98 -5.359 -21.091 -0.825 1.00 1.51 H new ATOM 0 HD3 LYS A 98 -5.291 -22.757 -0.285 1.00 1.51 H new ATOM 0 HE2 LYS A 98 -6.774 -23.470 -2.085 1.00 2.00 H new ATOM 0 HE3 LYS A 98 -7.077 -21.810 -2.558 1.00 2.00 H new ATOM 0 HZ1 LYS A 98 -5.451 -22.849 -4.001 1.00 2.74 H new ATOM 0 HZ2 LYS A 98 -4.731 -21.576 -3.138 1.00 2.74 H new ATOM 0 HZ3 LYS A 98 -4.437 -23.185 -2.680 1.00 2.74 H new TER 1593 LYS A 98 ATOM 1594 N MET B 1 18.584 -4.213 -2.048 1.00 0.65 N ATOM 1595 CA MET B 1 17.915 -5.478 -2.452 1.00 0.59 C ATOM 1596 C MET B 1 16.640 -5.186 -3.231 1.00 0.59 C ATOM 1597 O MET B 1 16.367 -4.038 -3.575 1.00 0.60 O ATOM 1598 CB MET B 1 17.597 -6.347 -1.224 1.00 0.58 C ATOM 1599 CG MET B 1 18.696 -7.358 -0.860 1.00 0.60 C ATOM 1600 SD MET B 1 20.382 -6.809 -1.230 1.00 0.94 S ATOM 1601 CE MET B 1 21.315 -8.286 -0.836 1.00 1.18 C ATOM 0 H1 MET B 1 19.579 -4.406 -1.814 1.00 0.65 H new ATOM 0 H2 MET B 1 18.538 -3.531 -2.831 1.00 0.65 H new ATOM 0 H3 MET B 1 18.103 -3.817 -1.215 1.00 0.65 H new ATOM 0 HA MET B 1 18.600 -6.029 -3.096 1.00 0.59 H new ATOM 0 HB2 MET B 1 17.422 -5.695 -0.368 1.00 0.58 H new ATOM 0 HB3 MET B 1 16.669 -6.888 -1.407 1.00 0.58 H new ATOM 0 HG2 MET B 1 18.627 -7.582 0.205 1.00 0.60 H new ATOM 0 HG3 MET B 1 18.506 -8.289 -1.394 1.00 0.60 H new ATOM 0 HE1 MET B 1 22.125 -8.407 -1.555 1.00 1.18 H new ATOM 0 HE2 MET B 1 21.731 -8.197 0.167 1.00 1.18 H new ATOM 0 HE3 MET B 1 20.658 -9.154 -0.880 1.00 1.18 H new ATOM 1613 N ALA B 2 15.879 -6.232 -3.541 1.00 0.61 N ATOM 1614 CA ALA B 2 14.633 -6.066 -4.285 1.00 0.64 C ATOM 1615 C ALA B 2 13.402 -6.375 -3.438 1.00 0.62 C ATOM 1616 O ALA B 2 13.464 -7.159 -2.496 1.00 0.71 O ATOM 1617 CB ALA B 2 14.635 -6.936 -5.534 1.00 0.72 C ATOM 0 H ALA B 2 16.100 -7.196 -3.291 1.00 0.61 H new ATOM 0 HA ALA B 2 14.577 -5.016 -4.573 1.00 0.64 H new ATOM 0 HB1 ALA B 2 13.699 -6.798 -6.075 1.00 0.72 H new ATOM 0 HB2 ALA B 2 15.469 -6.651 -6.175 1.00 0.72 H new ATOM 0 HB3 ALA B 2 14.738 -7.983 -5.248 1.00 0.72 H new ATOM 1623 N ALA B 3 12.284 -5.732 -3.769 1.00 0.73 N ATOM 1624 CA ALA B 3 11.033 -5.968 -3.061 1.00 0.75 C ATOM 1625 C ALA B 3 10.503 -7.339 -3.440 1.00 0.65 C ATOM 1626 O ALA B 3 9.623 -7.473 -4.292 1.00 0.81 O ATOM 1627 CB ALA B 3 10.017 -4.884 -3.392 1.00 1.04 C ATOM 0 H ALA B 3 12.221 -5.046 -4.521 1.00 0.73 H new ATOM 0 HA ALA B 3 11.211 -5.935 -1.986 1.00 0.75 H new ATOM 0 HB1 ALA B 3 9.089 -5.078 -2.854 1.00 1.04 H new ATOM 0 HB2 ALA B 3 10.412 -3.912 -3.096 1.00 1.04 H new ATOM 0 HB3 ALA B 3 9.821 -4.884 -4.464 1.00 1.04 H new ATOM 1633 N GLU B 4 11.060 -8.356 -2.804 1.00 0.62 N ATOM 1634 CA GLU B 4 10.693 -9.735 -3.079 1.00 0.75 C ATOM 1635 C GLU B 4 9.272 -10.029 -2.583 1.00 0.74 C ATOM 1636 O GLU B 4 8.331 -9.354 -3.004 1.00 0.86 O ATOM 1637 CB GLU B 4 11.742 -10.666 -2.461 1.00 0.97 C ATOM 1638 CG GLU B 4 13.170 -10.160 -2.622 1.00 1.45 C ATOM 1639 CD GLU B 4 13.557 -9.858 -4.060 1.00 2.42 C ATOM 1640 OE1 GLU B 4 12.687 -9.405 -4.831 1.00 3.02 O ATOM 1641 OE2 GLU B 4 14.736 -10.068 -4.412 1.00 3.20 O ATOM 0 H GLU B 4 11.776 -8.250 -2.086 1.00 0.62 H new ATOM 0 HA GLU B 4 10.681 -9.911 -4.155 1.00 0.75 H new ATOM 0 HB2 GLU B 4 11.526 -10.791 -1.400 1.00 0.97 H new ATOM 0 HB3 GLU B 4 11.659 -11.651 -2.921 1.00 0.97 H new ATOM 0 HG2 GLU B 4 13.295 -9.257 -2.025 1.00 1.45 H new ATOM 0 HG3 GLU B 4 13.857 -10.905 -2.220 1.00 1.45 H new ATOM 1648 N THR B 5 9.085 -11.015 -1.701 1.00 0.70 N ATOM 1649 CA THR B 5 7.747 -11.327 -1.226 1.00 0.75 C ATOM 1650 C THR B 5 7.169 -10.210 -0.330 1.00 0.62 C ATOM 1651 O THR B 5 7.136 -9.052 -0.743 1.00 0.79 O ATOM 1652 CB THR B 5 7.721 -12.688 -0.513 1.00 0.92 C ATOM 1653 OG1 THR B 5 8.474 -13.634 -1.275 1.00 1.42 O ATOM 1654 CG2 THR B 5 6.288 -13.179 -0.348 1.00 1.08 C ATOM 0 H THR B 5 9.828 -11.595 -1.313 1.00 0.70 H new ATOM 0 HA THR B 5 7.101 -11.391 -2.102 1.00 0.75 H new ATOM 0 HB THR B 5 8.163 -12.578 0.477 1.00 0.92 H new ATOM 0 HG1 THR B 5 9.307 -13.844 -0.804 1.00 1.42 H new ATOM 0 HG21 THR B 5 6.290 -14.144 0.159 1.00 1.08 H new ATOM 0 HG22 THR B 5 5.723 -12.459 0.244 1.00 1.08 H new ATOM 0 HG23 THR B 5 5.825 -13.285 -1.329 1.00 1.08 H new ATOM 1662 N LEU B 6 6.725 -10.537 0.893 1.00 0.54 N ATOM 1663 CA LEU B 6 6.111 -9.549 1.771 1.00 0.50 C ATOM 1664 C LEU B 6 7.146 -8.644 2.437 1.00 0.49 C ATOM 1665 O LEU B 6 7.660 -8.956 3.507 1.00 0.56 O ATOM 1666 CB LEU B 6 5.280 -10.257 2.847 1.00 0.60 C ATOM 1667 CG LEU B 6 4.142 -11.144 2.338 1.00 0.75 C ATOM 1668 CD1 LEU B 6 4.558 -12.609 2.326 1.00 1.15 C ATOM 1669 CD2 LEU B 6 2.901 -10.951 3.196 1.00 1.07 C ATOM 0 H LEU B 6 6.782 -11.475 1.288 1.00 0.54 H new ATOM 0 HA LEU B 6 5.470 -8.919 1.154 1.00 0.50 H new ATOM 0 HB2 LEU B 6 5.950 -10.869 3.451 1.00 0.60 H new ATOM 0 HB3 LEU B 6 4.857 -9.500 3.508 1.00 0.60 H new ATOM 0 HG LEU B 6 3.910 -10.850 1.314 1.00 0.75 H new ATOM 0 HD11 LEU B 6 3.732 -13.219 1.960 1.00 1.15 H new ATOM 0 HD12 LEU B 6 5.421 -12.737 1.672 1.00 1.15 H new ATOM 0 HD13 LEU B 6 4.820 -12.921 3.337 1.00 1.15 H new ATOM 0 HD21 LEU B 6 2.098 -11.588 2.823 1.00 1.07 H new ATOM 0 HD22 LEU B 6 3.127 -11.219 4.228 1.00 1.07 H new ATOM 0 HD23 LEU B 6 2.587 -9.908 3.152 1.00 1.07 H new ATOM 1681 N THR B 7 7.416 -7.494 1.836 1.00 0.50 N ATOM 1682 CA THR B 7 8.387 -6.570 2.410 1.00 0.53 C ATOM 1683 C THR B 7 7.842 -6.028 3.718 1.00 0.48 C ATOM 1684 O THR B 7 6.658 -6.169 3.993 1.00 0.55 O ATOM 1685 CB THR B 7 8.701 -5.395 1.459 1.00 0.60 C ATOM 1686 OG1 THR B 7 7.953 -5.534 0.246 1.00 0.83 O ATOM 1687 CG2 THR B 7 10.189 -5.323 1.134 1.00 0.80 C ATOM 0 H THR B 7 6.986 -7.181 0.966 1.00 0.50 H new ATOM 0 HA THR B 7 9.315 -7.117 2.577 1.00 0.53 H new ATOM 0 HB THR B 7 8.416 -4.472 1.965 1.00 0.60 H new ATOM 0 HG1 THR B 7 8.156 -4.784 -0.351 1.00 0.83 H new ATOM 0 HG21 THR B 7 10.375 -4.485 0.462 1.00 0.80 H new ATOM 0 HG22 THR B 7 10.756 -5.183 2.054 1.00 0.80 H new ATOM 0 HG23 THR B 7 10.502 -6.250 0.653 1.00 0.80 H new ATOM 1695 N GLU B 8 8.697 -5.388 4.513 1.00 0.46 N ATOM 1696 CA GLU B 8 8.286 -4.853 5.816 1.00 0.45 C ATOM 1697 C GLU B 8 6.890 -4.232 5.768 1.00 0.41 C ATOM 1698 O GLU B 8 6.170 -4.218 6.766 1.00 0.42 O ATOM 1699 CB GLU B 8 9.276 -3.798 6.308 1.00 0.50 C ATOM 1700 CG GLU B 8 10.730 -4.236 6.263 1.00 0.52 C ATOM 1701 CD GLU B 8 10.974 -5.534 7.009 1.00 1.09 C ATOM 1702 OE1 GLU B 8 10.837 -6.610 6.391 1.00 1.94 O ATOM 1703 OE2 GLU B 8 11.303 -5.474 8.213 1.00 1.67 O ATOM 0 H GLU B 8 9.677 -5.226 4.281 1.00 0.46 H new ATOM 0 HA GLU B 8 8.269 -5.697 6.505 1.00 0.45 H new ATOM 0 HB2 GLU B 8 9.161 -2.898 5.703 1.00 0.50 H new ATOM 0 HB3 GLU B 8 9.022 -3.528 7.333 1.00 0.50 H new ATOM 0 HG2 GLU B 8 11.037 -4.356 5.224 1.00 0.52 H new ATOM 0 HG3 GLU B 8 11.355 -3.452 6.692 1.00 0.52 H new ATOM 1710 N LEU B 9 6.518 -3.720 4.601 1.00 0.41 N ATOM 1711 CA LEU B 9 5.219 -3.089 4.422 1.00 0.40 C ATOM 1712 C LEU B 9 4.063 -4.035 4.728 1.00 0.38 C ATOM 1713 O LEU B 9 2.988 -3.587 5.125 1.00 0.40 O ATOM 1714 CB LEU B 9 5.102 -2.577 2.989 1.00 0.46 C ATOM 1715 CG LEU B 9 6.361 -1.897 2.436 1.00 0.58 C ATOM 1716 CD1 LEU B 9 6.006 -0.999 1.267 1.00 0.93 C ATOM 1717 CD2 LEU B 9 7.086 -1.106 3.519 1.00 0.93 C ATOM 0 H LEU B 9 7.100 -3.730 3.763 1.00 0.41 H new ATOM 0 HA LEU B 9 5.152 -2.263 5.130 1.00 0.40 H new ATOM 0 HB2 LEU B 9 4.846 -3.415 2.340 1.00 0.46 H new ATOM 0 HB3 LEU B 9 4.274 -1.870 2.939 1.00 0.46 H new ATOM 0 HG LEU B 9 7.037 -2.677 2.086 1.00 0.58 H new ATOM 0 HD11 LEU B 9 6.910 -0.524 0.886 1.00 0.93 H new ATOM 0 HD12 LEU B 9 5.548 -1.594 0.477 1.00 0.93 H new ATOM 0 HD13 LEU B 9 5.305 -0.233 1.597 1.00 0.93 H new ATOM 0 HD21 LEU B 9 7.973 -0.637 3.094 1.00 0.93 H new ATOM 0 HD22 LEU B 9 6.422 -0.337 3.914 1.00 0.93 H new ATOM 0 HD23 LEU B 9 7.381 -1.778 4.324 1.00 0.93 H new ATOM 1729 N GLU B 10 4.274 -5.341 4.577 1.00 0.38 N ATOM 1730 CA GLU B 10 3.211 -6.302 4.866 1.00 0.39 C ATOM 1731 C GLU B 10 2.686 -6.057 6.271 1.00 0.38 C ATOM 1732 O GLU B 10 1.498 -6.215 6.538 1.00 0.40 O ATOM 1733 CB GLU B 10 3.714 -7.734 4.729 1.00 0.45 C ATOM 1734 CG GLU B 10 5.129 -7.915 5.238 1.00 0.45 C ATOM 1735 CD GLU B 10 5.259 -9.059 6.225 1.00 0.55 C ATOM 1736 OE1 GLU B 10 5.456 -10.209 5.779 1.00 1.16 O ATOM 1737 OE2 GLU B 10 5.161 -8.804 7.444 1.00 1.26 O ATOM 0 H GLU B 10 5.153 -5.753 4.263 1.00 0.38 H new ATOM 0 HA GLU B 10 2.405 -6.165 4.145 1.00 0.39 H new ATOM 0 HB2 GLU B 10 3.048 -8.401 5.277 1.00 0.45 H new ATOM 0 HB3 GLU B 10 3.670 -8.030 3.681 1.00 0.45 H new ATOM 0 HG2 GLU B 10 5.794 -8.094 4.393 1.00 0.45 H new ATOM 0 HG3 GLU B 10 5.459 -6.992 5.714 1.00 0.45 H new ATOM 1744 N ALA B 11 3.586 -5.658 7.168 1.00 0.39 N ATOM 1745 CA ALA B 11 3.200 -5.343 8.533 1.00 0.39 C ATOM 1746 C ALA B 11 2.160 -4.243 8.500 1.00 0.36 C ATOM 1747 O ALA B 11 1.217 -4.229 9.293 1.00 0.39 O ATOM 1748 CB ALA B 11 4.408 -4.907 9.349 1.00 0.42 C ATOM 0 H ALA B 11 4.581 -5.547 6.971 1.00 0.39 H new ATOM 0 HA ALA B 11 2.784 -6.232 9.007 1.00 0.39 H new ATOM 0 HB1 ALA B 11 4.095 -4.676 10.367 1.00 0.42 H new ATOM 0 HB2 ALA B 11 5.143 -5.711 9.369 1.00 0.42 H new ATOM 0 HB3 ALA B 11 4.852 -4.021 8.896 1.00 0.42 H new ATOM 1754 N ALA B 12 2.344 -3.319 7.564 1.00 0.33 N ATOM 1755 CA ALA B 12 1.411 -2.226 7.387 1.00 0.32 C ATOM 1756 C ALA B 12 0.069 -2.772 6.932 1.00 0.33 C ATOM 1757 O ALA B 12 -0.973 -2.160 7.161 1.00 0.34 O ATOM 1758 CB ALA B 12 1.951 -1.212 6.387 1.00 0.34 C ATOM 0 H ALA B 12 3.133 -3.310 6.918 1.00 0.33 H new ATOM 0 HA ALA B 12 1.279 -1.713 8.340 1.00 0.32 H new ATOM 0 HB1 ALA B 12 1.234 -0.400 6.269 1.00 0.34 H new ATOM 0 HB2 ALA B 12 2.897 -0.811 6.750 1.00 0.34 H new ATOM 0 HB3 ALA B 12 2.109 -1.699 5.425 1.00 0.34 H new ATOM 1764 N ILE B 13 0.102 -3.936 6.280 1.00 0.36 N ATOM 1765 CA ILE B 13 -1.118 -4.574 5.821 1.00 0.40 C ATOM 1766 C ILE B 13 -2.087 -4.722 6.998 1.00 0.39 C ATOM 1767 O ILE B 13 -3.303 -4.732 6.823 1.00 0.42 O ATOM 1768 CB ILE B 13 -0.829 -5.951 5.141 1.00 0.47 C ATOM 1769 CG1 ILE B 13 -1.757 -6.146 3.938 1.00 0.90 C ATOM 1770 CG2 ILE B 13 -0.963 -7.131 6.107 1.00 0.99 C ATOM 1771 CD1 ILE B 13 -3.210 -6.336 4.318 1.00 2.05 C ATOM 0 H ILE B 13 0.957 -4.447 6.063 1.00 0.36 H new ATOM 0 HA ILE B 13 -1.578 -3.944 5.060 1.00 0.40 H new ATOM 0 HB ILE B 13 0.209 -5.931 4.809 1.00 0.47 H new ATOM 0 HG12 ILE B 13 -1.672 -5.281 3.280 1.00 0.90 H new ATOM 0 HG13 ILE B 13 -1.423 -7.013 3.369 1.00 0.90 H new ATOM 0 HG21 ILE B 13 -0.751 -8.060 5.578 1.00 0.99 H new ATOM 0 HG22 ILE B 13 -0.256 -7.011 6.928 1.00 0.99 H new ATOM 0 HG23 ILE B 13 -1.978 -7.163 6.504 1.00 0.99 H new ATOM 0 HD11 ILE B 13 -3.808 -6.468 3.416 1.00 2.05 H new ATOM 0 HD12 ILE B 13 -3.308 -7.218 4.951 1.00 2.05 H new ATOM 0 HD13 ILE B 13 -3.562 -5.459 4.861 1.00 2.05 H new ATOM 1783 N GLU B 14 -1.515 -4.822 8.200 1.00 0.39 N ATOM 1784 CA GLU B 14 -2.293 -4.969 9.423 1.00 0.42 C ATOM 1785 C GLU B 14 -3.127 -3.724 9.707 1.00 0.38 C ATOM 1786 O GLU B 14 -4.249 -3.827 10.203 1.00 0.46 O ATOM 1787 CB GLU B 14 -1.367 -5.257 10.606 1.00 0.46 C ATOM 1788 CG GLU B 14 -0.521 -6.506 10.426 1.00 0.79 C ATOM 1789 CD GLU B 14 -1.358 -7.755 10.237 1.00 1.46 C ATOM 1790 OE1 GLU B 14 -1.754 -8.365 11.252 1.00 2.02 O ATOM 1791 OE2 GLU B 14 -1.618 -8.125 9.072 1.00 2.25 O ATOM 0 H GLU B 14 -0.506 -4.803 8.348 1.00 0.39 H new ATOM 0 HA GLU B 14 -2.975 -5.808 9.285 1.00 0.42 H new ATOM 0 HB2 GLU B 14 -0.709 -4.401 10.758 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -1.968 -5.362 11.510 1.00 0.46 H new ATOM 0 HG2 GLU B 14 0.132 -6.377 9.563 1.00 0.79 H new ATOM 0 HG3 GLU B 14 0.123 -6.633 11.296 1.00 0.79 H new ATOM 1798 N THR B 15 -2.587 -2.548 9.403 1.00 0.30 N ATOM 1799 CA THR B 15 -3.312 -1.321 9.629 1.00 0.28 C ATOM 1800 C THR B 15 -4.404 -1.149 8.580 1.00 0.28 C ATOM 1801 O THR B 15 -5.588 -1.057 8.897 1.00 0.34 O ATOM 1802 CB THR B 15 -2.376 -0.104 9.589 1.00 0.28 C ATOM 1803 OG1 THR B 15 -1.325 -0.259 10.550 1.00 0.29 O ATOM 1804 CG2 THR B 15 -3.144 1.179 9.870 1.00 0.32 C ATOM 0 H THR B 15 -1.656 -2.428 9.003 1.00 0.30 H new ATOM 0 HA THR B 15 -3.762 -1.384 10.620 1.00 0.28 H new ATOM 0 HB THR B 15 -1.945 -0.039 8.590 1.00 0.28 H new ATOM 0 HG1 THR B 15 -0.478 0.040 10.159 1.00 0.29 H new ATOM 0 HG21 THR B 15 -2.460 2.027 9.836 1.00 0.32 H new ATOM 0 HG22 THR B 15 -3.922 1.310 9.118 1.00 0.32 H new ATOM 0 HG23 THR B 15 -3.601 1.120 10.858 1.00 0.32 H new ATOM 1812 N VAL B 16 -3.978 -1.121 7.327 1.00 0.27 N ATOM 1813 CA VAL B 16 -4.880 -0.973 6.192 1.00 0.28 C ATOM 1814 C VAL B 16 -5.940 -2.068 6.177 1.00 0.30 C ATOM 1815 O VAL B 16 -7.055 -1.850 5.703 1.00 0.36 O ATOM 1816 CB VAL B 16 -4.076 -1.012 4.881 1.00 0.30 C ATOM 1817 CG1 VAL B 16 -3.284 -2.300 4.789 1.00 0.33 C ATOM 1818 CG2 VAL B 16 -4.982 -0.863 3.673 1.00 0.33 C ATOM 0 H VAL B 16 -2.995 -1.200 7.066 1.00 0.27 H new ATOM 0 HA VAL B 16 -5.387 -0.013 6.287 1.00 0.28 H new ATOM 0 HB VAL B 16 -3.384 -0.170 4.886 1.00 0.30 H new ATOM 0 HG11 VAL B 16 -2.720 -2.314 3.856 1.00 0.33 H new ATOM 0 HG12 VAL B 16 -2.595 -2.364 5.631 1.00 0.33 H new ATOM 0 HG13 VAL B 16 -3.967 -3.149 4.813 1.00 0.33 H new ATOM 0 HG21 VAL B 16 -4.383 -0.895 2.763 1.00 0.33 H new ATOM 0 HG22 VAL B 16 -5.707 -1.677 3.659 1.00 0.33 H new ATOM 0 HG23 VAL B 16 -5.508 0.090 3.728 1.00 0.33 H new ATOM 1828 N VAL B 17 -5.600 -3.243 6.699 1.00 0.31 N ATOM 1829 CA VAL B 17 -6.556 -4.339 6.735 1.00 0.33 C ATOM 1830 C VAL B 17 -7.528 -4.172 7.905 1.00 0.30 C ATOM 1831 O VAL B 17 -8.696 -4.553 7.821 1.00 0.33 O ATOM 1832 CB VAL B 17 -5.867 -5.718 6.827 1.00 0.43 C ATOM 1833 CG1 VAL B 17 -5.258 -5.946 8.201 1.00 0.45 C ATOM 1834 CG2 VAL B 17 -6.855 -6.823 6.488 1.00 0.50 C ATOM 0 H VAL B 17 -4.685 -3.457 7.096 1.00 0.31 H new ATOM 0 HA VAL B 17 -7.106 -4.303 5.795 1.00 0.33 H new ATOM 0 HB VAL B 17 -5.054 -5.737 6.101 1.00 0.43 H new ATOM 0 HG11 VAL B 17 -4.782 -6.926 8.230 1.00 0.45 H new ATOM 0 HG12 VAL B 17 -4.514 -5.175 8.402 1.00 0.45 H new ATOM 0 HG13 VAL B 17 -6.041 -5.901 8.958 1.00 0.45 H new ATOM 0 HG21 VAL B 17 -6.357 -7.790 6.556 1.00 0.50 H new ATOM 0 HG22 VAL B 17 -7.689 -6.794 7.190 1.00 0.50 H new ATOM 0 HG23 VAL B 17 -7.229 -6.678 5.474 1.00 0.50 H new ATOM 1844 N SER B 18 -7.025 -3.611 9.001 1.00 0.33 N ATOM 1845 CA SER B 18 -7.826 -3.391 10.202 1.00 0.40 C ATOM 1846 C SER B 18 -8.667 -2.111 10.130 1.00 0.44 C ATOM 1847 O SER B 18 -9.632 -1.955 10.874 1.00 0.59 O ATOM 1848 CB SER B 18 -6.919 -3.342 11.432 1.00 0.51 C ATOM 1849 OG SER B 18 -7.665 -3.083 12.608 1.00 1.32 O ATOM 0 H SER B 18 -6.058 -3.298 9.082 1.00 0.33 H new ATOM 0 HA SER B 18 -8.520 -4.228 10.278 1.00 0.40 H new ATOM 0 HB2 SER B 18 -6.390 -4.289 11.535 1.00 0.51 H new ATOM 0 HB3 SER B 18 -6.163 -2.568 11.299 1.00 0.51 H new ATOM 0 HG SER B 18 -7.061 -3.058 13.380 1.00 1.32 H new ATOM 1855 N THR B 19 -8.287 -1.177 9.273 1.00 0.37 N ATOM 1856 CA THR B 19 -9.031 0.076 9.162 1.00 0.45 C ATOM 1857 C THR B 19 -10.243 0.000 8.234 1.00 0.46 C ATOM 1858 O THR B 19 -11.356 -0.298 8.669 1.00 0.53 O ATOM 1859 CB THR B 19 -8.126 1.246 8.727 1.00 0.45 C ATOM 1860 OG1 THR B 19 -7.548 0.981 7.441 1.00 0.42 O ATOM 1861 CG2 THR B 19 -7.027 1.488 9.749 1.00 0.49 C ATOM 0 H THR B 19 -7.482 -1.256 8.652 1.00 0.37 H new ATOM 0 HA THR B 19 -9.406 0.259 10.169 1.00 0.45 H new ATOM 0 HB THR B 19 -8.742 2.143 8.661 1.00 0.45 H new ATOM 0 HG1 THR B 19 -6.977 1.733 7.178 1.00 0.42 H new ATOM 0 HG21 THR B 19 -6.401 2.318 9.421 1.00 0.49 H new ATOM 0 HG22 THR B 19 -7.474 1.730 10.713 1.00 0.49 H new ATOM 0 HG23 THR B 19 -6.417 0.590 9.847 1.00 0.49 H new ATOM 1869 N PHE B 20 -10.012 0.276 6.957 1.00 0.45 N ATOM 1870 CA PHE B 20 -11.071 0.309 5.956 1.00 0.53 C ATOM 1871 C PHE B 20 -11.447 -1.077 5.486 1.00 0.53 C ATOM 1872 O PHE B 20 -12.576 -1.332 5.084 1.00 0.68 O ATOM 1873 CB PHE B 20 -10.574 1.169 4.793 1.00 0.60 C ATOM 1874 CG PHE B 20 -11.145 0.851 3.442 1.00 0.72 C ATOM 1875 CD1 PHE B 20 -12.485 1.033 3.174 1.00 1.26 C ATOM 1876 CD2 PHE B 20 -10.320 0.378 2.441 1.00 1.59 C ATOM 1877 CE1 PHE B 20 -12.995 0.744 1.927 1.00 1.37 C ATOM 1878 CE2 PHE B 20 -10.819 0.084 1.193 1.00 1.77 C ATOM 1879 CZ PHE B 20 -12.159 0.266 0.934 1.00 1.18 C ATOM 0 H PHE B 20 -9.085 0.483 6.586 1.00 0.45 H new ATOM 0 HA PHE B 20 -11.976 0.735 6.390 1.00 0.53 H new ATOM 0 HB2 PHE B 20 -10.793 2.212 5.020 1.00 0.60 H new ATOM 0 HB3 PHE B 20 -9.489 1.076 4.737 1.00 0.60 H new ATOM 0 HD1 PHE B 20 -13.140 1.405 3.948 1.00 1.26 H new ATOM 0 HD2 PHE B 20 -9.268 0.237 2.640 1.00 1.59 H new ATOM 0 HE1 PHE B 20 -14.046 0.890 1.725 1.00 1.37 H new ATOM 0 HE2 PHE B 20 -10.163 -0.288 0.420 1.00 1.77 H new ATOM 0 HZ PHE B 20 -12.557 0.036 -0.043 1.00 1.18 H new ATOM 1889 N PHE B 21 -10.491 -1.955 5.520 1.00 0.44 N ATOM 1890 CA PHE B 21 -10.699 -3.297 5.082 1.00 0.47 C ATOM 1891 C PHE B 21 -11.591 -4.069 6.031 1.00 0.49 C ATOM 1892 O PHE B 21 -12.201 -5.068 5.647 1.00 0.63 O ATOM 1893 CB PHE B 21 -9.336 -3.957 4.930 1.00 0.47 C ATOM 1894 CG PHE B 21 -8.514 -3.444 3.779 1.00 0.45 C ATOM 1895 CD1 PHE B 21 -8.911 -2.329 3.058 1.00 1.15 C ATOM 1896 CD2 PHE B 21 -7.316 -4.052 3.448 1.00 1.39 C ATOM 1897 CE1 PHE B 21 -8.133 -1.844 2.026 1.00 1.13 C ATOM 1898 CE2 PHE B 21 -6.536 -3.565 2.427 1.00 1.44 C ATOM 1899 CZ PHE B 21 -6.942 -2.462 1.711 1.00 0.53 C ATOM 0 H PHE B 21 -9.547 -1.759 5.852 1.00 0.44 H new ATOM 0 HA PHE B 21 -11.219 -3.293 4.124 1.00 0.47 H new ATOM 0 HB2 PHE B 21 -8.773 -3.814 5.853 1.00 0.47 H new ATOM 0 HB3 PHE B 21 -9.479 -5.031 4.807 1.00 0.47 H new ATOM 0 HD1 PHE B 21 -9.839 -1.834 3.306 1.00 1.15 H new ATOM 0 HD2 PHE B 21 -6.990 -4.921 4.000 1.00 1.39 H new ATOM 0 HE1 PHE B 21 -8.458 -0.980 1.465 1.00 1.13 H new ATOM 0 HE2 PHE B 21 -5.601 -4.049 2.186 1.00 1.44 H new ATOM 0 HZ PHE B 21 -6.330 -2.082 0.906 1.00 0.53 H new ATOM 1909 N THR B 22 -11.669 -3.614 7.264 1.00 0.48 N ATOM 1910 CA THR B 22 -12.525 -4.263 8.231 1.00 0.54 C ATOM 1911 C THR B 22 -13.978 -4.082 7.835 1.00 0.48 C ATOM 1912 O THR B 22 -14.853 -4.826 8.279 1.00 0.53 O ATOM 1913 CB THR B 22 -12.288 -3.724 9.639 1.00 0.65 C ATOM 1914 OG1 THR B 22 -12.381 -2.294 9.643 1.00 0.66 O ATOM 1915 CG2 THR B 22 -10.919 -4.162 10.112 1.00 0.81 C ATOM 0 H THR B 22 -11.156 -2.806 7.616 1.00 0.48 H new ATOM 0 HA THR B 22 -12.282 -5.326 8.240 1.00 0.54 H new ATOM 0 HB THR B 22 -13.048 -4.119 10.313 1.00 0.65 H new ATOM 0 HG1 THR B 22 -11.532 -1.910 9.338 1.00 0.66 H new ATOM 0 HG21 THR B 22 -10.742 -3.781 11.118 1.00 0.81 H new ATOM 0 HG22 THR B 22 -10.869 -5.251 10.123 1.00 0.81 H new ATOM 0 HG23 THR B 22 -10.158 -3.771 9.437 1.00 0.81 H new ATOM 1923 N PHE B 23 -14.230 -3.086 6.989 1.00 0.49 N ATOM 1924 CA PHE B 23 -15.571 -2.843 6.496 1.00 0.51 C ATOM 1925 C PHE B 23 -16.025 -4.069 5.711 1.00 0.44 C ATOM 1926 O PHE B 23 -17.217 -4.352 5.626 1.00 0.46 O ATOM 1927 CB PHE B 23 -15.593 -1.526 5.682 1.00 0.68 C ATOM 1928 CG PHE B 23 -16.005 -1.611 4.232 1.00 0.61 C ATOM 1929 CD1 PHE B 23 -17.176 -2.244 3.824 1.00 1.46 C ATOM 1930 CD2 PHE B 23 -15.193 -1.047 3.272 1.00 1.48 C ATOM 1931 CE1 PHE B 23 -17.516 -2.308 2.496 1.00 1.93 C ATOM 1932 CE2 PHE B 23 -15.531 -1.114 1.941 1.00 1.88 C ATOM 1933 CZ PHE B 23 -16.693 -1.746 1.556 1.00 1.83 C ATOM 0 H PHE B 23 -13.523 -2.441 6.636 1.00 0.49 H new ATOM 0 HA PHE B 23 -16.283 -2.702 7.309 1.00 0.51 H new ATOM 0 HB2 PHE B 23 -16.267 -0.832 6.183 1.00 0.68 H new ATOM 0 HB3 PHE B 23 -14.596 -1.088 5.723 1.00 0.68 H new ATOM 0 HD1 PHE B 23 -17.825 -2.691 4.562 1.00 1.46 H new ATOM 0 HD2 PHE B 23 -14.282 -0.548 3.568 1.00 1.48 H new ATOM 0 HE1 PHE B 23 -18.429 -2.799 2.193 1.00 1.93 H new ATOM 0 HE2 PHE B 23 -14.885 -0.671 1.197 1.00 1.88 H new ATOM 0 HZ PHE B 23 -16.956 -1.799 0.510 1.00 1.83 H new ATOM 1943 N ALA B 24 -15.056 -4.820 5.170 1.00 0.51 N ATOM 1944 CA ALA B 24 -15.345 -6.055 4.430 1.00 0.59 C ATOM 1945 C ALA B 24 -16.463 -6.828 5.107 1.00 0.61 C ATOM 1946 O ALA B 24 -17.379 -7.337 4.460 1.00 0.67 O ATOM 1947 CB ALA B 24 -14.105 -6.919 4.385 1.00 0.71 C ATOM 0 H ALA B 24 -14.064 -4.593 5.231 1.00 0.51 H new ATOM 0 HA ALA B 24 -15.654 -5.792 3.418 1.00 0.59 H new ATOM 0 HB1 ALA B 24 -14.320 -7.836 3.836 1.00 0.71 H new ATOM 0 HB2 ALA B 24 -13.302 -6.377 3.886 1.00 0.71 H new ATOM 0 HB3 ALA B 24 -13.798 -7.168 5.401 1.00 0.71 H new ATOM 1953 N GLY B 25 -16.359 -6.909 6.430 1.00 0.71 N ATOM 1954 CA GLY B 25 -17.371 -7.574 7.234 1.00 0.85 C ATOM 1955 C GLY B 25 -18.781 -7.297 6.738 1.00 0.74 C ATOM 1956 O GLY B 25 -19.679 -8.121 6.909 1.00 0.82 O ATOM 0 H GLY B 25 -15.582 -6.521 6.966 1.00 0.71 H new ATOM 0 HA2 GLY B 25 -17.190 -8.649 7.224 1.00 0.85 H new ATOM 0 HA3 GLY B 25 -17.282 -7.245 8.269 1.00 0.85 H new ATOM 1960 N ARG B 26 -18.976 -6.126 6.121 1.00 0.61 N ATOM 1961 CA ARG B 26 -20.276 -5.754 5.566 1.00 0.59 C ATOM 1962 C ARG B 26 -20.845 -6.913 4.758 1.00 0.58 C ATOM 1963 O ARG B 26 -22.055 -7.137 4.728 1.00 0.72 O ATOM 1964 CB ARG B 26 -20.148 -4.509 4.679 1.00 0.61 C ATOM 1965 CG ARG B 26 -20.235 -3.204 5.444 1.00 1.18 C ATOM 1966 CD ARG B 26 -21.678 -2.849 5.723 1.00 0.96 C ATOM 1967 NE ARG B 26 -22.207 -3.572 6.875 1.00 1.55 N ATOM 1968 CZ ARG B 26 -23.498 -3.626 7.182 1.00 1.95 C ATOM 1969 NH1 ARG B 26 -24.387 -2.997 6.426 1.00 2.01 N ATOM 1970 NH2 ARG B 26 -23.900 -4.305 8.247 1.00 2.82 N ATOM 0 H ARG B 26 -18.249 -5.422 5.995 1.00 0.61 H new ATOM 0 HA ARG B 26 -20.953 -5.524 6.389 1.00 0.59 H new ATOM 0 HB2 ARG B 26 -19.196 -4.547 4.150 1.00 0.61 H new ATOM 0 HB3 ARG B 26 -20.933 -4.530 3.923 1.00 0.61 H new ATOM 0 HG2 ARG B 26 -19.687 -3.289 6.383 1.00 1.18 H new ATOM 0 HG3 ARG B 26 -19.763 -2.407 4.870 1.00 1.18 H new ATOM 0 HD2 ARG B 26 -21.760 -1.777 5.900 1.00 0.96 H new ATOM 0 HD3 ARG B 26 -22.283 -3.074 4.845 1.00 0.96 H new ATOM 0 HE ARG B 26 -21.548 -4.064 7.479 1.00 1.55 H new ATOM 0 HH11 ARG B 26 -24.080 -2.471 5.608 1.00 2.01 H new ATOM 0 HH12 ARG B 26 -25.378 -3.039 6.662 1.00 2.01 H new ATOM 0 HH21 ARG B 26 -23.217 -4.787 8.832 1.00 2.82 H new ATOM 0 HH22 ARG B 26 -24.892 -4.346 8.481 1.00 2.82 H new ATOM 1984 N GLU B 27 -19.949 -7.644 4.108 1.00 0.50 N ATOM 1985 CA GLU B 27 -20.338 -8.811 3.319 1.00 0.57 C ATOM 1986 C GLU B 27 -20.411 -10.057 4.204 1.00 0.80 C ATOM 1987 O GLU B 27 -19.597 -10.240 5.109 1.00 1.26 O ATOM 1988 CB GLU B 27 -19.342 -9.045 2.182 1.00 0.97 C ATOM 1989 CG GLU B 27 -19.223 -7.870 1.226 1.00 0.85 C ATOM 1990 CD GLU B 27 -20.530 -7.554 0.527 1.00 1.10 C ATOM 1991 OE1 GLU B 27 -21.351 -6.816 1.110 1.00 1.79 O ATOM 1992 OE2 GLU B 27 -20.732 -8.044 -0.604 1.00 1.63 O ATOM 0 H GLU B 27 -18.947 -7.451 4.110 1.00 0.50 H new ATOM 0 HA GLU B 27 -21.323 -8.620 2.894 1.00 0.57 H new ATOM 0 HB2 GLU B 27 -18.361 -9.257 2.607 1.00 0.97 H new ATOM 0 HB3 GLU B 27 -19.645 -9.930 1.621 1.00 0.97 H new ATOM 0 HG2 GLU B 27 -18.888 -6.991 1.776 1.00 0.85 H new ATOM 0 HG3 GLU B 27 -18.460 -8.089 0.480 1.00 0.85 H new ATOM 1999 N GLY B 28 -21.395 -10.911 3.930 1.00 1.32 N ATOM 2000 CA GLY B 28 -21.581 -12.125 4.710 1.00 1.87 C ATOM 2001 C GLY B 28 -20.316 -12.940 4.876 1.00 1.35 C ATOM 2002 O GLY B 28 -19.506 -12.669 5.763 1.00 1.58 O ATOM 0 H GLY B 28 -22.071 -10.783 3.177 1.00 1.32 H new ATOM 0 HA2 GLY B 28 -21.963 -11.858 5.695 1.00 1.87 H new ATOM 0 HA3 GLY B 28 -22.340 -12.742 4.230 1.00 1.87 H new ATOM 2006 N ARG B 29 -20.150 -13.946 4.022 1.00 1.15 N ATOM 2007 CA ARG B 29 -18.983 -14.825 4.077 1.00 1.06 C ATOM 2008 C ARG B 29 -17.700 -14.031 4.298 1.00 1.14 C ATOM 2009 O ARG B 29 -17.684 -12.807 4.174 1.00 1.74 O ATOM 2010 CB ARG B 29 -18.875 -15.645 2.783 1.00 1.38 C ATOM 2011 CG ARG B 29 -17.721 -16.644 2.768 1.00 1.76 C ATOM 2012 CD ARG B 29 -17.757 -17.514 1.521 1.00 2.36 C ATOM 2013 NE ARG B 29 -17.828 -16.718 0.300 1.00 2.88 N ATOM 2014 CZ ARG B 29 -17.849 -17.243 -0.921 1.00 3.58 C ATOM 2015 NH1 ARG B 29 -17.805 -18.559 -1.080 1.00 3.91 N ATOM 2016 NH2 ARG B 29 -17.914 -16.453 -1.984 1.00 4.30 N ATOM 0 H ARG B 29 -20.811 -14.174 3.280 1.00 1.15 H new ATOM 0 HA ARG B 29 -19.113 -15.501 4.922 1.00 1.06 H new ATOM 0 HB2 ARG B 29 -19.810 -16.185 2.629 1.00 1.38 H new ATOM 0 HB3 ARG B 29 -18.760 -14.961 1.942 1.00 1.38 H new ATOM 0 HG2 ARG B 29 -16.773 -16.108 2.812 1.00 1.76 H new ATOM 0 HG3 ARG B 29 -17.772 -17.275 3.655 1.00 1.76 H new ATOM 0 HD2 ARG B 29 -16.867 -18.143 1.492 1.00 2.36 H new ATOM 0 HD3 ARG B 29 -18.618 -18.181 1.569 1.00 2.36 H new ATOM 0 HE ARG B 29 -17.863 -15.702 0.388 1.00 2.88 H new ATOM 0 HH11 ARG B 29 -17.755 -19.170 -0.265 1.00 3.91 H new ATOM 0 HH12 ARG B 29 -17.821 -18.960 -2.018 1.00 3.91 H new ATOM 0 HH21 ARG B 29 -17.948 -15.440 -1.866 1.00 4.30 H new ATOM 0 HH22 ARG B 29 -17.930 -16.858 -2.920 1.00 4.30 H new ATOM 2030 N LYS B 30 -16.624 -14.738 4.618 1.00 1.05 N ATOM 2031 CA LYS B 30 -15.338 -14.102 4.838 1.00 1.49 C ATOM 2032 C LYS B 30 -14.509 -14.186 3.564 1.00 1.34 C ATOM 2033 O LYS B 30 -13.379 -14.673 3.570 1.00 1.66 O ATOM 2034 CB LYS B 30 -14.593 -14.793 5.982 1.00 2.04 C ATOM 2035 CG LYS B 30 -15.449 -15.031 7.215 1.00 2.66 C ATOM 2036 CD LYS B 30 -14.661 -15.729 8.312 1.00 3.51 C ATOM 2037 CE LYS B 30 -15.529 -16.017 9.526 1.00 4.01 C ATOM 2038 NZ LYS B 30 -14.760 -16.685 10.613 1.00 4.78 N ATOM 0 H LYS B 30 -16.619 -15.752 4.730 1.00 1.05 H new ATOM 0 HA LYS B 30 -15.499 -13.057 5.104 1.00 1.49 H new ATOM 0 HB2 LYS B 30 -14.209 -15.749 5.628 1.00 2.04 H new ATOM 0 HB3 LYS B 30 -13.731 -14.187 6.261 1.00 2.04 H new ATOM 0 HG2 LYS B 30 -15.827 -14.079 7.586 1.00 2.66 H new ATOM 0 HG3 LYS B 30 -16.316 -15.635 6.947 1.00 2.66 H new ATOM 0 HD2 LYS B 30 -14.250 -16.663 7.928 1.00 3.51 H new ATOM 0 HD3 LYS B 30 -13.816 -15.106 8.607 1.00 3.51 H new ATOM 0 HE2 LYS B 30 -15.951 -15.084 9.900 1.00 4.01 H new ATOM 0 HE3 LYS B 30 -16.366 -16.650 9.232 1.00 4.01 H new ATOM 0 HZ1 LYS B 30 -15.388 -16.864 11.423 1.00 4.78 H new ATOM 0 HZ2 LYS B 30 -14.379 -17.587 10.264 1.00 4.78 H new ATOM 0 HZ3 LYS B 30 -13.976 -16.070 10.912 1.00 4.78 H new ATOM 2052 N GLY B 31 -15.101 -13.724 2.467 1.00 0.96 N ATOM 2053 CA GLY B 31 -14.420 -13.721 1.187 1.00 0.88 C ATOM 2054 C GLY B 31 -13.846 -12.381 0.902 1.00 0.81 C ATOM 2055 O GLY B 31 -12.661 -12.179 1.080 1.00 0.85 O ATOM 0 H GLY B 31 -16.049 -13.349 2.444 1.00 0.96 H new ATOM 0 HA2 GLY B 31 -13.627 -14.469 1.189 1.00 0.88 H new ATOM 0 HA3 GLY B 31 -15.118 -13.999 0.397 1.00 0.88 H new ATOM 2059 N SER B 32 -14.653 -11.447 0.472 1.00 0.74 N ATOM 2060 CA SER B 32 -14.120 -10.141 0.173 1.00 0.71 C ATOM 2061 C SER B 32 -15.014 -9.025 0.653 1.00 0.70 C ATOM 2062 O SER B 32 -16.114 -9.237 1.163 1.00 0.75 O ATOM 2063 CB SER B 32 -13.842 -10.013 -1.329 1.00 0.69 C ATOM 2064 OG SER B 32 -14.181 -8.731 -1.834 1.00 1.09 O ATOM 0 H SER B 32 -15.656 -11.558 0.323 1.00 0.74 H new ATOM 0 HA SER B 32 -13.182 -10.042 0.719 1.00 0.71 H new ATOM 0 HB2 SER B 32 -12.786 -10.208 -1.518 1.00 0.69 H new ATOM 0 HB3 SER B 32 -14.408 -10.774 -1.867 1.00 0.69 H new ATOM 0 HG SER B 32 -13.941 -8.679 -2.783 1.00 1.09 H new ATOM 2070 N LEU B 33 -14.498 -7.836 0.469 1.00 0.72 N ATOM 2071 CA LEU B 33 -15.173 -6.620 0.839 1.00 0.74 C ATOM 2072 C LEU B 33 -15.891 -6.055 -0.366 1.00 0.57 C ATOM 2073 O LEU B 33 -15.489 -6.317 -1.500 1.00 0.53 O ATOM 2074 CB LEU B 33 -14.150 -5.621 1.320 1.00 1.00 C ATOM 2075 CG LEU B 33 -14.627 -4.178 1.433 1.00 1.19 C ATOM 2076 CD1 LEU B 33 -13.951 -3.510 2.608 1.00 1.93 C ATOM 2077 CD2 LEU B 33 -14.338 -3.427 0.137 1.00 1.69 C ATOM 0 H LEU B 33 -13.580 -7.684 0.050 1.00 0.72 H new ATOM 0 HA LEU B 33 -15.895 -6.825 1.629 1.00 0.74 H new ATOM 0 HB2 LEU B 33 -13.790 -5.941 2.298 1.00 1.00 H new ATOM 0 HB3 LEU B 33 -13.297 -5.649 0.642 1.00 1.00 H new ATOM 0 HG LEU B 33 -15.704 -4.164 1.599 1.00 1.19 H new ATOM 0 HD11 LEU B 33 -14.294 -2.478 2.687 1.00 1.93 H new ATOM 0 HD12 LEU B 33 -14.200 -4.046 3.524 1.00 1.93 H new ATOM 0 HD13 LEU B 33 -12.871 -3.523 2.462 1.00 1.93 H new ATOM 0 HD21 LEU B 33 -14.683 -2.397 0.229 1.00 1.69 H new ATOM 0 HD22 LEU B 33 -13.265 -3.435 -0.057 1.00 1.69 H new ATOM 0 HD23 LEU B 33 -14.859 -3.912 -0.688 1.00 1.69 H new ATOM 2089 N ASN B 34 -16.949 -5.282 -0.151 1.00 0.57 N ATOM 2090 CA ASN B 34 -17.677 -4.758 -1.278 1.00 0.47 C ATOM 2091 C ASN B 34 -17.632 -3.234 -1.296 1.00 0.41 C ATOM 2092 O ASN B 34 -16.551 -2.654 -1.375 1.00 0.56 O ATOM 2093 CB ASN B 34 -19.101 -5.333 -1.247 1.00 0.56 C ATOM 2094 CG ASN B 34 -19.846 -5.157 -2.554 1.00 1.38 C ATOM 2095 OD1 ASN B 34 -19.242 -5.094 -3.621 1.00 2.13 O ATOM 2096 ND2 ASN B 34 -21.169 -5.086 -2.477 1.00 2.12 N ATOM 0 H ASN B 34 -17.306 -5.016 0.767 1.00 0.57 H new ATOM 0 HA ASN B 34 -17.213 -5.067 -2.214 1.00 0.47 H new ATOM 0 HB2 ASN B 34 -19.052 -6.395 -1.005 1.00 0.56 H new ATOM 0 HB3 ASN B 34 -19.663 -4.850 -0.448 1.00 0.56 H new ATOM 0 HD21 ASN B 34 -21.724 -4.975 -3.326 1.00 2.12 H new ATOM 0 HD22 ASN B 34 -21.631 -5.143 -1.569 1.00 2.12 H new ATOM 2103 N ILE B 35 -18.780 -2.589 -1.288 1.00 0.53 N ATOM 2104 CA ILE B 35 -18.826 -1.139 -1.279 1.00 0.54 C ATOM 2105 C ILE B 35 -19.947 -0.612 -0.402 1.00 0.56 C ATOM 2106 O ILE B 35 -20.552 0.419 -0.697 1.00 0.63 O ATOM 2107 CB ILE B 35 -18.936 -0.542 -2.687 1.00 0.60 C ATOM 2108 CG1 ILE B 35 -20.233 -0.966 -3.384 1.00 0.70 C ATOM 2109 CG2 ILE B 35 -17.720 -0.943 -3.502 1.00 0.66 C ATOM 2110 CD1 ILE B 35 -20.414 -2.459 -3.494 1.00 1.04 C ATOM 0 H ILE B 35 -19.693 -3.044 -1.288 1.00 0.53 H new ATOM 0 HA ILE B 35 -17.874 -0.818 -0.855 1.00 0.54 H new ATOM 0 HB ILE B 35 -18.967 0.544 -2.601 1.00 0.60 H new ATOM 0 HG12 ILE B 35 -21.079 -0.548 -2.839 1.00 0.70 H new ATOM 0 HG13 ILE B 35 -20.253 -0.534 -4.384 1.00 0.70 H new ATOM 0 HG21 ILE B 35 -17.797 -0.519 -4.503 1.00 0.66 H new ATOM 0 HG22 ILE B 35 -16.818 -0.569 -3.018 1.00 0.66 H new ATOM 0 HG23 ILE B 35 -17.670 -2.030 -3.571 1.00 0.66 H new ATOM 0 HD11 ILE B 35 -21.355 -2.675 -3.999 1.00 1.04 H new ATOM 0 HD12 ILE B 35 -19.589 -2.884 -4.066 1.00 1.04 H new ATOM 0 HD13 ILE B 35 -20.428 -2.898 -2.497 1.00 1.04 H new ATOM 2122 N ASN B 36 -20.213 -1.321 0.685 1.00 0.59 N ATOM 2123 CA ASN B 36 -21.239 -0.911 1.622 1.00 0.63 C ATOM 2124 C ASN B 36 -20.670 0.158 2.518 1.00 0.59 C ATOM 2125 O ASN B 36 -21.119 1.302 2.483 1.00 0.59 O ATOM 2126 CB ASN B 36 -21.750 -2.087 2.446 1.00 0.70 C ATOM 2127 CG ASN B 36 -22.264 -3.223 1.585 1.00 1.34 C ATOM 2128 OD1 ASN B 36 -21.790 -3.434 0.468 1.00 2.16 O ATOM 2129 ND2 ASN B 36 -23.240 -3.960 2.100 1.00 1.90 N ATOM 0 H ASN B 36 -19.730 -2.183 0.937 1.00 0.59 H new ATOM 0 HA ASN B 36 -22.091 -0.519 1.067 1.00 0.63 H new ATOM 0 HB2 ASN B 36 -20.947 -2.455 3.084 1.00 0.70 H new ATOM 0 HB3 ASN B 36 -22.549 -1.745 3.104 1.00 0.70 H new ATOM 0 HD21 ASN B 36 -23.628 -4.738 1.566 1.00 1.90 H new ATOM 0 HD22 ASN B 36 -23.602 -3.749 3.030 1.00 1.90 H new ATOM 2136 N GLU B 37 -19.695 -0.193 3.347 1.00 0.58 N ATOM 2137 CA GLU B 37 -19.092 0.840 4.163 1.00 0.56 C ATOM 2138 C GLU B 37 -18.084 1.641 3.349 1.00 0.50 C ATOM 2139 O GLU B 37 -17.652 2.711 3.779 1.00 0.53 O ATOM 2140 CB GLU B 37 -18.471 0.313 5.446 1.00 0.68 C ATOM 2141 CG GLU B 37 -19.488 0.053 6.538 1.00 0.76 C ATOM 2142 CD GLU B 37 -18.883 -0.615 7.756 1.00 0.77 C ATOM 2143 OE1 GLU B 37 -18.794 -1.861 7.764 1.00 1.28 O ATOM 2144 OE2 GLU B 37 -18.500 0.106 8.701 1.00 1.41 O ATOM 0 H GLU B 37 -19.323 -1.135 3.467 1.00 0.58 H new ATOM 0 HA GLU B 37 -19.900 1.501 4.477 1.00 0.56 H new ATOM 0 HB2 GLU B 37 -17.935 -0.611 5.230 1.00 0.68 H new ATOM 0 HB3 GLU B 37 -17.735 1.031 5.807 1.00 0.68 H new ATOM 0 HG2 GLU B 37 -19.944 0.997 6.836 1.00 0.76 H new ATOM 0 HG3 GLU B 37 -20.286 -0.576 6.143 1.00 0.76 H new ATOM 2151 N PHE B 38 -17.697 1.135 2.162 1.00 0.47 N ATOM 2152 CA PHE B 38 -16.796 1.878 1.297 1.00 0.43 C ATOM 2153 C PHE B 38 -17.389 3.262 1.086 1.00 0.45 C ATOM 2154 O PHE B 38 -16.682 4.259 0.986 1.00 0.46 O ATOM 2155 CB PHE B 38 -16.643 1.176 -0.055 1.00 0.43 C ATOM 2156 CG PHE B 38 -15.487 1.661 -0.870 1.00 0.41 C ATOM 2157 CD1 PHE B 38 -15.401 2.979 -1.268 1.00 1.21 C ATOM 2158 CD2 PHE B 38 -14.481 0.788 -1.233 1.00 1.30 C ATOM 2159 CE1 PHE B 38 -14.329 3.421 -2.013 1.00 1.21 C ATOM 2160 CE2 PHE B 38 -13.402 1.222 -1.980 1.00 1.32 C ATOM 2161 CZ PHE B 38 -13.326 2.543 -2.369 1.00 0.46 C ATOM 0 H PHE B 38 -17.994 0.231 1.796 1.00 0.47 H new ATOM 0 HA PHE B 38 -15.811 1.942 1.759 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -16.529 0.105 0.115 1.00 0.43 H new ATOM 0 HB3 PHE B 38 -17.560 1.312 -0.628 1.00 0.43 H new ATOM 0 HD1 PHE B 38 -16.182 3.672 -0.993 1.00 1.21 H new ATOM 0 HD2 PHE B 38 -14.538 -0.247 -0.930 1.00 1.30 H new ATOM 0 HE1 PHE B 38 -14.274 4.455 -2.318 1.00 1.21 H new ATOM 0 HE2 PHE B 38 -12.621 0.529 -2.258 1.00 1.32 H new ATOM 0 HZ PHE B 38 -12.484 2.889 -2.950 1.00 0.46 H new ATOM 2171 N LYS B 39 -18.720 3.296 1.073 1.00 0.49 N ATOM 2172 CA LYS B 39 -19.461 4.535 0.896 1.00 0.53 C ATOM 2173 C LYS B 39 -19.121 5.531 1.991 1.00 0.54 C ATOM 2174 O LYS B 39 -19.413 6.720 1.887 1.00 0.58 O ATOM 2175 CB LYS B 39 -20.957 4.249 0.864 1.00 0.62 C ATOM 2176 CG LYS B 39 -21.286 3.024 0.045 1.00 0.68 C ATOM 2177 CD LYS B 39 -22.243 3.342 -1.089 1.00 0.70 C ATOM 2178 CE LYS B 39 -23.566 3.882 -0.569 1.00 1.49 C ATOM 2179 NZ LYS B 39 -24.484 4.267 -1.677 1.00 1.82 N ATOM 0 H LYS B 39 -19.308 2.470 1.184 1.00 0.49 H new ATOM 0 HA LYS B 39 -19.173 4.980 -0.056 1.00 0.53 H new ATOM 0 HB2 LYS B 39 -21.321 4.112 1.882 1.00 0.62 H new ATOM 0 HB3 LYS B 39 -21.481 5.111 0.452 1.00 0.62 H new ATOM 0 HG2 LYS B 39 -20.367 2.602 -0.363 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -21.727 2.264 0.690 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -21.787 4.074 -1.756 1.00 0.70 H new ATOM 0 HD3 LYS B 39 -22.423 2.442 -1.678 1.00 0.70 H new ATOM 0 HE2 LYS B 39 -24.046 3.128 0.054 1.00 1.49 H new ATOM 0 HE3 LYS B 39 -23.380 4.748 0.066 1.00 1.49 H new ATOM 0 HZ1 LYS B 39 -25.374 4.630 -1.280 1.00 1.82 H new ATOM 0 HZ2 LYS B 39 -24.037 5.005 -2.257 1.00 1.82 H new ATOM 0 HZ3 LYS B 39 -24.683 3.435 -2.268 1.00 1.82 H new ATOM 2193 N GLU B 40 -18.539 5.023 3.057 1.00 0.53 N ATOM 2194 CA GLU B 40 -18.099 5.851 4.154 1.00 0.57 C ATOM 2195 C GLU B 40 -16.737 6.457 3.823 1.00 0.55 C ATOM 2196 O GLU B 40 -16.204 7.261 4.588 1.00 0.61 O ATOM 2197 CB GLU B 40 -17.998 5.003 5.416 1.00 0.61 C ATOM 2198 CG GLU B 40 -19.228 4.158 5.663 1.00 1.09 C ATOM 2199 CD GLU B 40 -20.448 4.986 6.016 1.00 1.91 C ATOM 2200 OE1 GLU B 40 -20.651 5.259 7.218 1.00 2.62 O ATOM 2201 OE2 GLU B 40 -21.200 5.359 5.092 1.00 2.42 O ATOM 0 H GLU B 40 -18.359 4.027 3.185 1.00 0.53 H new ATOM 0 HA GLU B 40 -18.816 6.656 4.317 1.00 0.57 H new ATOM 0 HB2 GLU B 40 -17.127 4.352 5.341 1.00 0.61 H new ATOM 0 HB3 GLU B 40 -17.835 5.656 6.273 1.00 0.61 H new ATOM 0 HG2 GLU B 40 -19.441 3.566 4.773 1.00 1.09 H new ATOM 0 HG3 GLU B 40 -19.025 3.456 6.472 1.00 1.09 H new ATOM 2208 N LEU B 41 -16.178 6.074 2.666 1.00 0.50 N ATOM 2209 CA LEU B 41 -14.881 6.552 2.264 1.00 0.50 C ATOM 2210 C LEU B 41 -14.973 7.932 1.661 1.00 0.55 C ATOM 2211 O LEU B 41 -14.928 8.914 2.384 1.00 0.63 O ATOM 2212 CB LEU B 41 -14.222 5.584 1.277 1.00 0.46 C ATOM 2213 CG LEU B 41 -13.926 4.191 1.815 1.00 0.44 C ATOM 2214 CD1 LEU B 41 -12.960 3.466 0.890 1.00 0.55 C ATOM 2215 CD2 LEU B 41 -13.367 4.269 3.230 1.00 0.66 C ATOM 0 H LEU B 41 -16.617 5.434 2.004 1.00 0.50 H new ATOM 0 HA LEU B 41 -14.260 6.610 3.158 1.00 0.50 H new ATOM 0 HB2 LEU B 41 -14.869 5.487 0.405 1.00 0.46 H new ATOM 0 HB3 LEU B 41 -13.287 6.026 0.932 1.00 0.46 H new ATOM 0 HG LEU B 41 -14.857 3.626 1.853 1.00 0.44 H new ATOM 0 HD11 LEU B 41 -12.756 2.471 1.285 1.00 0.55 H new ATOM 0 HD12 LEU B 41 -13.403 3.379 -0.102 1.00 0.55 H new ATOM 0 HD13 LEU B 41 -12.029 4.028 0.824 1.00 0.55 H new ATOM 0 HD21 LEU B 41 -13.162 3.263 3.596 1.00 0.66 H new ATOM 0 HD22 LEU B 41 -12.444 4.848 3.225 1.00 0.66 H new ATOM 0 HD23 LEU B 41 -14.095 4.752 3.883 1.00 0.66 H new ATOM 2227 N ALA B 42 -15.143 8.007 0.339 1.00 0.55 N ATOM 2228 CA ALA B 42 -15.199 9.299 -0.349 1.00 0.62 C ATOM 2229 C ALA B 42 -15.996 10.309 0.435 1.00 0.68 C ATOM 2230 O ALA B 42 -15.719 11.498 0.409 1.00 0.76 O ATOM 2231 CB ALA B 42 -15.770 9.146 -1.727 1.00 0.65 C ATOM 0 H ALA B 42 -15.243 7.196 -0.272 1.00 0.55 H new ATOM 0 HA ALA B 42 -14.176 9.667 -0.432 1.00 0.62 H new ATOM 0 HB1 ALA B 42 -15.801 10.119 -2.218 1.00 0.65 H new ATOM 0 HB2 ALA B 42 -15.145 8.467 -2.307 1.00 0.65 H new ATOM 0 HB3 ALA B 42 -16.780 8.741 -1.660 1.00 0.65 H new ATOM 2237 N THR B 43 -16.980 9.815 1.146 1.00 0.65 N ATOM 2238 CA THR B 43 -17.807 10.664 1.967 1.00 0.73 C ATOM 2239 C THR B 43 -16.934 11.446 2.948 1.00 0.78 C ATOM 2240 O THR B 43 -16.969 12.675 2.990 1.00 0.85 O ATOM 2241 CB THR B 43 -18.858 9.836 2.725 1.00 0.73 C ATOM 2242 OG1 THR B 43 -18.317 8.551 3.071 1.00 0.66 O ATOM 2243 CG2 THR B 43 -20.102 9.657 1.870 1.00 0.76 C ATOM 0 H THR B 43 -17.228 8.826 1.172 1.00 0.65 H new ATOM 0 HA THR B 43 -18.334 11.367 1.322 1.00 0.73 H new ATOM 0 HB THR B 43 -19.129 10.367 3.638 1.00 0.73 H new ATOM 0 HG1 THR B 43 -18.516 7.910 2.357 1.00 0.66 H new ATOM 0 HG21 THR B 43 -20.839 9.069 2.418 1.00 0.76 H new ATOM 0 HG22 THR B 43 -20.523 10.634 1.631 1.00 0.76 H new ATOM 0 HG23 THR B 43 -19.838 9.140 0.948 1.00 0.76 H new ATOM 2251 N GLN B 44 -16.170 10.713 3.749 1.00 0.76 N ATOM 2252 CA GLN B 44 -15.243 11.310 4.709 1.00 0.84 C ATOM 2253 C GLN B 44 -13.936 11.674 4.022 1.00 0.83 C ATOM 2254 O GLN B 44 -13.319 12.691 4.337 1.00 0.92 O ATOM 2255 CB GLN B 44 -14.987 10.335 5.854 1.00 0.87 C ATOM 2256 CG GLN B 44 -13.886 10.777 6.803 1.00 1.54 C ATOM 2257 CD GLN B 44 -14.230 12.055 7.543 1.00 2.04 C ATOM 2258 OE1 GLN B 44 -14.817 12.022 8.624 1.00 2.53 O ATOM 2259 NE2 GLN B 44 -13.867 13.193 6.962 1.00 2.74 N ATOM 0 H GLN B 44 -16.173 9.693 3.754 1.00 0.76 H new ATOM 0 HA GLN B 44 -15.686 12.221 5.112 1.00 0.84 H new ATOM 0 HB2 GLN B 44 -15.910 10.203 6.419 1.00 0.87 H new ATOM 0 HB3 GLN B 44 -14.726 9.362 5.438 1.00 0.87 H new ATOM 0 HG2 GLN B 44 -13.695 9.984 7.526 1.00 1.54 H new ATOM 0 HG3 GLN B 44 -12.964 10.925 6.240 1.00 1.54 H new ATOM 0 HE21 GLN B 44 -13.382 13.176 6.065 1.00 2.74 H new ATOM 0 HE22 GLN B 44 -14.073 14.084 7.413 1.00 2.74 H new ATOM 2268 N GLN B 45 -13.519 10.836 3.081 1.00 0.79 N ATOM 2269 CA GLN B 45 -12.308 11.075 2.345 1.00 0.82 C ATOM 2270 C GLN B 45 -12.476 12.367 1.559 1.00 0.78 C ATOM 2271 O GLN B 45 -11.497 13.030 1.214 1.00 0.79 O ATOM 2272 CB GLN B 45 -12.028 9.899 1.409 1.00 0.93 C ATOM 2273 CG GLN B 45 -11.786 8.548 2.091 1.00 0.95 C ATOM 2274 CD GLN B 45 -11.617 8.628 3.600 1.00 1.37 C ATOM 2275 OE1 GLN B 45 -10.504 8.742 4.112 1.00 2.35 O ATOM 2276 NE2 GLN B 45 -12.734 8.580 4.312 1.00 1.45 N ATOM 0 H GLN B 45 -14.013 9.983 2.817 1.00 0.79 H new ATOM 0 HA GLN B 45 -11.460 11.170 3.024 1.00 0.82 H new ATOM 0 HB2 GLN B 45 -12.871 9.794 0.726 1.00 0.93 H new ATOM 0 HB3 GLN B 45 -11.155 10.141 0.803 1.00 0.93 H new ATOM 0 HG2 GLN B 45 -12.622 7.886 1.866 1.00 0.95 H new ATOM 0 HG3 GLN B 45 -10.894 8.092 1.661 1.00 0.95 H new ATOM 0 HE21 GLN B 45 -13.634 8.485 3.842 1.00 1.45 H new ATOM 0 HE22 GLN B 45 -12.693 8.638 5.330 1.00 1.45 H new ATOM 2285 N LEU B 46 -13.745 12.724 1.272 1.00 0.78 N ATOM 2286 CA LEU B 46 -14.053 13.959 0.564 1.00 0.78 C ATOM 2287 C LEU B 46 -13.280 15.083 1.224 1.00 0.74 C ATOM 2288 O LEU B 46 -12.299 15.552 0.653 1.00 0.75 O ATOM 2289 CB LEU B 46 -15.562 14.274 0.559 1.00 0.83 C ATOM 2290 CG LEU B 46 -16.316 14.020 -0.755 1.00 1.04 C ATOM 2291 CD1 LEU B 46 -17.662 14.730 -0.738 1.00 1.25 C ATOM 2292 CD2 LEU B 46 -15.495 14.476 -1.948 1.00 1.30 C ATOM 0 H LEU B 46 -14.563 12.169 1.524 1.00 0.78 H new ATOM 0 HA LEU B 46 -13.760 13.847 -0.480 1.00 0.78 H new ATOM 0 HB2 LEU B 46 -16.036 13.683 1.343 1.00 0.83 H new ATOM 0 HB3 LEU B 46 -15.692 15.322 0.828 1.00 0.83 H new ATOM 0 HG LEU B 46 -16.485 12.947 -0.848 1.00 1.04 H new ATOM 0 HD11 LEU B 46 -18.185 14.541 -1.676 1.00 1.25 H new ATOM 0 HD12 LEU B 46 -18.260 14.356 0.093 1.00 1.25 H new ATOM 0 HD13 LEU B 46 -17.506 15.802 -0.619 1.00 1.25 H new ATOM 0 HD21 LEU B 46 -16.051 14.285 -2.866 1.00 1.30 H new ATOM 0 HD22 LEU B 46 -15.291 15.543 -1.862 1.00 1.30 H new ATOM 0 HD23 LEU B 46 -14.554 13.927 -1.973 1.00 1.30 H new ATOM 2304 N PRO B 47 -13.671 15.538 2.443 1.00 0.78 N ATOM 2305 CA PRO B 47 -12.898 16.574 3.090 1.00 0.80 C ATOM 2306 C PRO B 47 -11.699 16.002 3.801 1.00 0.77 C ATOM 2307 O PRO B 47 -11.754 15.589 4.959 1.00 0.82 O ATOM 2308 CB PRO B 47 -13.880 17.130 4.113 1.00 0.91 C ATOM 2309 CG PRO B 47 -14.734 15.962 4.474 1.00 0.95 C ATOM 2310 CD PRO B 47 -14.842 15.126 3.227 1.00 0.90 C ATOM 0 HA PRO B 47 -12.511 17.312 2.388 1.00 0.80 H new ATOM 0 HB2 PRO B 47 -13.363 17.530 4.985 1.00 0.91 H new ATOM 0 HB3 PRO B 47 -14.473 17.943 3.694 1.00 0.91 H new ATOM 0 HG2 PRO B 47 -14.290 15.391 5.289 1.00 0.95 H new ATOM 0 HG3 PRO B 47 -15.718 16.288 4.812 1.00 0.95 H new ATOM 0 HD2 PRO B 47 -14.820 14.060 3.454 1.00 0.90 H new ATOM 0 HD3 PRO B 47 -15.772 15.319 2.693 1.00 0.90 H new ATOM 2318 N HIS B 48 -10.626 15.985 3.059 1.00 0.73 N ATOM 2319 CA HIS B 48 -9.336 15.568 3.526 1.00 0.75 C ATOM 2320 C HIS B 48 -8.473 16.770 3.835 1.00 0.83 C ATOM 2321 O HIS B 48 -8.969 17.888 3.982 1.00 0.91 O ATOM 2322 CB HIS B 48 -8.724 14.697 2.462 1.00 0.73 C ATOM 2323 CG HIS B 48 -8.600 13.275 2.895 1.00 0.98 C ATOM 2324 ND1 HIS B 48 -9.373 12.259 2.378 1.00 1.86 N ATOM 2325 CD2 HIS B 48 -7.810 12.705 3.834 1.00 1.34 C ATOM 2326 CE1 HIS B 48 -9.067 11.127 2.983 1.00 2.02 C ATOM 2327 NE2 HIS B 48 -8.123 11.372 3.871 1.00 1.59 N ATOM 0 H HIS B 48 -10.628 16.271 2.080 1.00 0.73 H new ATOM 0 HA HIS B 48 -9.423 15.001 4.453 1.00 0.75 H new ATOM 0 HB2 HIS B 48 -9.333 14.748 1.560 1.00 0.73 H new ATOM 0 HB3 HIS B 48 -7.738 15.083 2.203 1.00 0.73 H new ATOM 0 HD1 HIS B 48 -10.072 12.365 1.643 1.00 1.86 H new ATOM 0 HD2 HIS B 48 -7.071 13.207 4.441 1.00 1.34 H new ATOM 0 HE1 HIS B 48 -9.514 10.164 2.785 1.00 2.02 H new ATOM 2336 N LEU B 49 -7.176 16.532 3.930 1.00 0.89 N ATOM 2337 CA LEU B 49 -6.237 17.617 4.084 1.00 1.00 C ATOM 2338 C LEU B 49 -5.985 18.153 2.678 1.00 0.98 C ATOM 2339 O LEU B 49 -6.564 19.161 2.271 1.00 1.02 O ATOM 2340 CB LEU B 49 -4.937 17.148 4.745 1.00 1.10 C ATOM 2341 CG LEU B 49 -5.056 16.801 6.231 1.00 1.62 C ATOM 2342 CD1 LEU B 49 -3.696 16.439 6.806 1.00 2.02 C ATOM 2343 CD2 LEU B 49 -5.670 17.961 7.001 1.00 2.44 C ATOM 0 H LEU B 49 -6.757 15.603 3.903 1.00 0.89 H new ATOM 0 HA LEU B 49 -6.635 18.392 4.739 1.00 1.00 H new ATOM 0 HB2 LEU B 49 -4.571 16.271 4.211 1.00 1.10 H new ATOM 0 HB3 LEU B 49 -4.185 17.929 4.629 1.00 1.10 H new ATOM 0 HG LEU B 49 -5.711 15.936 6.331 1.00 1.62 H new ATOM 0 HD11 LEU B 49 -3.801 16.195 7.863 1.00 2.02 H new ATOM 0 HD12 LEU B 49 -3.293 15.577 6.273 1.00 2.02 H new ATOM 0 HD13 LEU B 49 -3.017 17.284 6.694 1.00 2.02 H new ATOM 0 HD21 LEU B 49 -5.747 17.697 8.056 1.00 2.44 H new ATOM 0 HD22 LEU B 49 -5.040 18.844 6.893 1.00 2.44 H new ATOM 0 HD23 LEU B 49 -6.664 18.174 6.607 1.00 2.44 H new ATOM 2355 N LEU B 50 -5.112 17.467 1.942 1.00 0.98 N ATOM 2356 CA LEU B 50 -4.830 17.811 0.551 1.00 1.01 C ATOM 2357 C LEU B 50 -5.839 17.101 -0.358 1.00 0.92 C ATOM 2358 O LEU B 50 -5.458 16.460 -1.338 1.00 1.01 O ATOM 2359 CB LEU B 50 -3.398 17.423 0.166 1.00 1.11 C ATOM 2360 CG LEU B 50 -3.095 15.922 0.158 1.00 1.60 C ATOM 2361 CD1 LEU B 50 -1.954 15.623 -0.800 1.00 1.97 C ATOM 2362 CD2 LEU B 50 -2.752 15.432 1.558 1.00 2.24 C ATOM 0 H LEU B 50 -4.586 16.665 2.289 1.00 0.98 H new ATOM 0 HA LEU B 50 -4.924 18.890 0.428 1.00 1.01 H new ATOM 0 HB2 LEU B 50 -3.187 17.823 -0.826 1.00 1.11 H new ATOM 0 HB3 LEU B 50 -2.711 17.910 0.858 1.00 1.11 H new ATOM 0 HG LEU B 50 -3.987 15.393 -0.179 1.00 1.60 H new ATOM 0 HD11 LEU B 50 -1.748 14.553 -0.797 1.00 1.97 H new ATOM 0 HD12 LEU B 50 -2.232 15.936 -1.806 1.00 1.97 H new ATOM 0 HD13 LEU B 50 -1.063 16.165 -0.485 1.00 1.97 H new ATOM 0 HD21 LEU B 50 -2.541 14.363 1.528 1.00 2.24 H new ATOM 0 HD22 LEU B 50 -1.875 15.965 1.925 1.00 2.24 H new ATOM 0 HD23 LEU B 50 -3.594 15.616 2.225 1.00 2.24 H new ATOM 2374 N LYS B 51 -7.124 17.232 -0.036 1.00 0.85 N ATOM 2375 CA LYS B 51 -8.188 16.561 -0.773 1.00 0.80 C ATOM 2376 C LYS B 51 -7.956 16.534 -2.280 1.00 0.89 C ATOM 2377 O LYS B 51 -7.235 17.361 -2.840 1.00 1.04 O ATOM 2378 CB LYS B 51 -9.539 17.216 -0.470 1.00 0.95 C ATOM 2379 CG LYS B 51 -10.691 16.682 -1.331 1.00 1.24 C ATOM 2380 CD LYS B 51 -11.991 17.490 -1.200 1.00 2.12 C ATOM 2381 CE LYS B 51 -12.109 18.240 0.119 1.00 2.68 C ATOM 2382 NZ LYS B 51 -13.503 18.688 0.385 1.00 3.58 N ATOM 0 H LYS B 51 -7.454 17.805 0.741 1.00 0.85 H new ATOM 0 HA LYS B 51 -8.188 15.525 -0.434 1.00 0.80 H new ATOM 0 HB2 LYS B 51 -9.781 17.060 0.581 1.00 0.95 H new ATOM 0 HB3 LYS B 51 -9.453 18.292 -0.621 1.00 0.95 H new ATOM 0 HG2 LYS B 51 -10.380 16.679 -2.376 1.00 1.24 H new ATOM 0 HG3 LYS B 51 -10.889 15.646 -1.054 1.00 1.24 H new ATOM 0 HD2 LYS B 51 -12.050 18.204 -2.021 1.00 2.12 H new ATOM 0 HD3 LYS B 51 -12.841 16.815 -1.303 1.00 2.12 H new ATOM 0 HE2 LYS B 51 -11.774 17.597 0.933 1.00 2.68 H new ATOM 0 HE3 LYS B 51 -11.447 19.106 0.104 1.00 2.68 H new ATOM 0 HZ1 LYS B 51 -13.538 19.194 1.293 1.00 3.58 H new ATOM 0 HZ2 LYS B 51 -13.815 19.323 -0.377 1.00 3.58 H new ATOM 0 HZ3 LYS B 51 -14.132 17.861 0.426 1.00 3.58 H new ATOM 2396 N ASP B 52 -8.593 15.554 -2.914 1.00 0.92 N ATOM 2397 CA ASP B 52 -8.519 15.364 -4.357 1.00 1.17 C ATOM 2398 C ASP B 52 -9.846 15.768 -4.997 1.00 1.24 C ATOM 2399 O ASP B 52 -9.874 16.220 -6.139 1.00 1.47 O ATOM 2400 CB ASP B 52 -8.195 13.905 -4.688 1.00 1.29 C ATOM 2401 CG ASP B 52 -8.137 13.652 -6.182 1.00 1.87 C ATOM 2402 OD1 ASP B 52 -9.197 13.368 -6.779 1.00 2.61 O ATOM 2403 OD2 ASP B 52 -7.030 13.738 -6.755 1.00 2.35 O ATOM 0 H ASP B 52 -9.177 14.867 -2.438 1.00 0.92 H new ATOM 0 HA ASP B 52 -7.723 15.992 -4.756 1.00 1.17 H new ATOM 0 HB2 ASP B 52 -7.239 13.637 -4.239 1.00 1.29 H new ATOM 0 HB3 ASP B 52 -8.949 13.257 -4.241 1.00 1.29 H new ATOM 2408 N VAL B 53 -10.933 15.586 -4.225 1.00 1.14 N ATOM 2409 CA VAL B 53 -12.304 15.927 -4.607 1.00 1.27 C ATOM 2410 C VAL B 53 -13.071 14.705 -5.093 1.00 1.24 C ATOM 2411 O VAL B 53 -13.297 14.525 -6.289 1.00 1.46 O ATOM 2412 CB VAL B 53 -12.366 17.018 -5.672 1.00 1.58 C ATOM 2413 CG1 VAL B 53 -13.807 17.337 -6.054 1.00 2.18 C ATOM 2414 CG2 VAL B 53 -11.643 18.278 -5.212 1.00 1.92 C ATOM 0 H VAL B 53 -10.873 15.184 -3.289 1.00 1.14 H new ATOM 0 HA VAL B 53 -12.774 16.311 -3.702 1.00 1.27 H new ATOM 0 HB VAL B 53 -11.857 16.638 -6.558 1.00 1.58 H new ATOM 0 HG11 VAL B 53 -13.817 18.118 -6.814 1.00 2.18 H new ATOM 0 HG12 VAL B 53 -14.286 16.441 -6.448 1.00 2.18 H new ATOM 0 HG13 VAL B 53 -14.349 17.681 -5.173 1.00 2.18 H new ATOM 0 HG21 VAL B 53 -11.704 19.038 -5.991 1.00 1.92 H new ATOM 0 HG22 VAL B 53 -12.110 18.654 -4.302 1.00 1.92 H new ATOM 0 HG23 VAL B 53 -10.597 18.045 -5.013 1.00 1.92 H new ATOM 2424 N GLY B 54 -13.445 13.860 -4.148 1.00 1.06 N ATOM 2425 CA GLY B 54 -14.210 12.671 -4.463 1.00 1.09 C ATOM 2426 C GLY B 54 -15.506 12.990 -5.173 1.00 1.13 C ATOM 2427 O GLY B 54 -16.522 13.267 -4.537 1.00 1.23 O ATOM 0 H GLY B 54 -13.231 13.977 -3.158 1.00 1.06 H new ATOM 0 HA2 GLY B 54 -13.609 12.011 -5.089 1.00 1.09 H new ATOM 0 HA3 GLY B 54 -14.427 12.128 -3.543 1.00 1.09 H new ATOM 2431 N SER B 55 -15.469 12.951 -6.496 1.00 1.16 N ATOM 2432 CA SER B 55 -16.642 13.237 -7.303 1.00 1.24 C ATOM 2433 C SER B 55 -17.799 12.318 -6.921 1.00 1.10 C ATOM 2434 O SER B 55 -17.591 11.167 -6.539 1.00 1.09 O ATOM 2435 CB SER B 55 -16.294 13.080 -8.777 1.00 1.40 C ATOM 2436 OG SER B 55 -17.301 13.635 -9.607 1.00 1.62 O ATOM 0 H SER B 55 -14.634 12.723 -7.035 1.00 1.16 H new ATOM 0 HA SER B 55 -16.959 14.264 -7.119 1.00 1.24 H new ATOM 0 HB2 SER B 55 -15.341 13.568 -8.982 1.00 1.40 H new ATOM 0 HB3 SER B 55 -16.168 12.023 -9.012 1.00 1.40 H new ATOM 0 HG SER B 55 -17.049 13.521 -10.547 1.00 1.62 H new ATOM 2442 N LEU B 56 -19.017 12.835 -7.030 1.00 1.15 N ATOM 2443 CA LEU B 56 -20.211 12.073 -6.676 1.00 1.10 C ATOM 2444 C LEU B 56 -20.324 10.785 -7.487 1.00 0.98 C ATOM 2445 O LEU B 56 -20.391 9.693 -6.924 1.00 0.97 O ATOM 2446 CB LEU B 56 -21.462 12.932 -6.881 1.00 1.28 C ATOM 2447 CG LEU B 56 -22.718 12.447 -6.151 1.00 2.03 C ATOM 2448 CD1 LEU B 56 -23.117 11.058 -6.628 1.00 2.61 C ATOM 2449 CD2 LEU B 56 -22.496 12.451 -4.646 1.00 2.83 C ATOM 0 H LEU B 56 -19.205 13.781 -7.361 1.00 1.15 H new ATOM 0 HA LEU B 56 -20.126 11.796 -5.625 1.00 1.10 H new ATOM 0 HB2 LEU B 56 -21.242 13.948 -6.554 1.00 1.28 H new ATOM 0 HB3 LEU B 56 -21.678 12.980 -7.948 1.00 1.28 H new ATOM 0 HG LEU B 56 -23.532 13.134 -6.382 1.00 2.03 H new ATOM 0 HD11 LEU B 56 -24.011 10.734 -6.096 1.00 2.61 H new ATOM 0 HD12 LEU B 56 -23.321 11.086 -7.698 1.00 2.61 H new ATOM 0 HD13 LEU B 56 -22.304 10.359 -6.432 1.00 2.61 H new ATOM 0 HD21 LEU B 56 -23.399 12.103 -4.144 1.00 2.83 H new ATOM 0 HD22 LEU B 56 -21.666 11.789 -4.399 1.00 2.83 H new ATOM 0 HD23 LEU B 56 -22.264 13.463 -4.315 1.00 2.83 H new ATOM 2461 N ASP B 57 -20.347 10.913 -8.808 1.00 1.00 N ATOM 2462 CA ASP B 57 -20.468 9.751 -9.683 1.00 1.01 C ATOM 2463 C ASP B 57 -19.318 8.791 -9.505 1.00 0.95 C ATOM 2464 O ASP B 57 -19.504 7.577 -9.410 1.00 0.97 O ATOM 2465 CB ASP B 57 -20.528 10.170 -11.141 1.00 1.15 C ATOM 2466 CG ASP B 57 -21.944 10.420 -11.621 1.00 1.69 C ATOM 2467 OD1 ASP B 57 -22.598 9.454 -12.071 1.00 2.19 O ATOM 2468 OD2 ASP B 57 -22.401 11.580 -11.546 1.00 2.48 O ATOM 0 H ASP B 57 -20.284 11.806 -9.297 1.00 1.00 H new ATOM 0 HA ASP B 57 -21.395 9.250 -9.404 1.00 1.01 H new ATOM 0 HB2 ASP B 57 -19.937 11.075 -11.279 1.00 1.15 H new ATOM 0 HB3 ASP B 57 -20.072 9.395 -11.757 1.00 1.15 H new ATOM 2473 N GLU B 58 -18.135 9.349 -9.464 1.00 0.94 N ATOM 2474 CA GLU B 58 -16.917 8.566 -9.305 1.00 0.95 C ATOM 2475 C GLU B 58 -17.065 7.649 -8.113 1.00 0.87 C ATOM 2476 O GLU B 58 -16.528 6.542 -8.081 1.00 0.90 O ATOM 2477 CB GLU B 58 -15.707 9.481 -9.125 1.00 0.98 C ATOM 2478 CG GLU B 58 -15.320 10.215 -10.397 1.00 1.44 C ATOM 2479 CD GLU B 58 -13.979 10.915 -10.285 1.00 1.80 C ATOM 2480 OE1 GLU B 58 -12.942 10.243 -10.465 1.00 2.42 O ATOM 2481 OE2 GLU B 58 -13.967 12.135 -10.015 1.00 2.29 O ATOM 0 H GLU B 58 -17.980 10.354 -9.539 1.00 0.94 H new ATOM 0 HA GLU B 58 -16.757 7.969 -10.203 1.00 0.95 H new ATOM 0 HB2 GLU B 58 -15.923 10.210 -8.344 1.00 0.98 H new ATOM 0 HB3 GLU B 58 -14.859 8.888 -8.782 1.00 0.98 H new ATOM 0 HG2 GLU B 58 -15.287 9.506 -11.225 1.00 1.44 H new ATOM 0 HG3 GLU B 58 -16.089 10.949 -10.636 1.00 1.44 H new ATOM 2488 N LYS B 59 -17.810 8.134 -7.135 1.00 0.81 N ATOM 2489 CA LYS B 59 -18.078 7.374 -5.940 1.00 0.76 C ATOM 2490 C LYS B 59 -19.111 6.295 -6.221 1.00 0.80 C ATOM 2491 O LYS B 59 -19.082 5.224 -5.618 1.00 0.79 O ATOM 2492 CB LYS B 59 -18.541 8.312 -4.829 1.00 0.75 C ATOM 2493 CG LYS B 59 -17.465 9.306 -4.436 1.00 0.75 C ATOM 2494 CD LYS B 59 -18.037 10.610 -3.909 1.00 1.14 C ATOM 2495 CE LYS B 59 -18.813 10.398 -2.619 1.00 1.95 C ATOM 2496 NZ LYS B 59 -19.567 11.617 -2.214 1.00 2.67 N ATOM 0 H LYS B 59 -18.240 9.059 -7.152 1.00 0.81 H new ATOM 0 HA LYS B 59 -17.164 6.879 -5.612 1.00 0.76 H new ATOM 0 HB2 LYS B 59 -19.430 8.851 -5.157 1.00 0.75 H new ATOM 0 HB3 LYS B 59 -18.828 7.726 -3.956 1.00 0.75 H new ATOM 0 HG2 LYS B 59 -16.825 8.860 -3.674 1.00 0.75 H new ATOM 0 HG3 LYS B 59 -16.834 9.514 -5.301 1.00 0.75 H new ATOM 0 HD2 LYS B 59 -17.228 11.319 -3.735 1.00 1.14 H new ATOM 0 HD3 LYS B 59 -18.692 11.051 -4.660 1.00 1.14 H new ATOM 0 HE2 LYS B 59 -19.508 9.568 -2.746 1.00 1.95 H new ATOM 0 HE3 LYS B 59 -18.123 10.117 -1.823 1.00 1.95 H new ATOM 0 HZ1 LYS B 59 -20.315 11.355 -1.541 1.00 2.67 H new ATOM 0 HZ2 LYS B 59 -18.918 12.293 -1.763 1.00 2.67 H new ATOM 0 HZ3 LYS B 59 -19.995 12.056 -3.054 1.00 2.67 H new ATOM 2510 N MET B 60 -20.020 6.582 -7.146 1.00 0.86 N ATOM 2511 CA MET B 60 -21.055 5.624 -7.518 1.00 0.92 C ATOM 2512 C MET B 60 -20.514 4.609 -8.516 1.00 0.96 C ATOM 2513 O MET B 60 -20.964 3.465 -8.566 1.00 1.01 O ATOM 2514 CB MET B 60 -22.268 6.351 -8.098 1.00 1.00 C ATOM 2515 CG MET B 60 -23.041 7.153 -7.063 1.00 1.01 C ATOM 2516 SD MET B 60 -24.003 6.107 -5.951 1.00 1.74 S ATOM 2517 CE MET B 60 -25.101 5.301 -7.113 1.00 2.31 C ATOM 0 H MET B 60 -20.062 7.467 -7.651 1.00 0.86 H new ATOM 0 HA MET B 60 -21.367 5.088 -6.621 1.00 0.92 H new ATOM 0 HB2 MET B 60 -21.936 7.020 -8.892 1.00 1.00 H new ATOM 0 HB3 MET B 60 -22.936 5.621 -8.555 1.00 1.00 H new ATOM 0 HG2 MET B 60 -22.343 7.753 -6.479 1.00 1.01 H new ATOM 0 HG3 MET B 60 -23.710 7.847 -7.572 1.00 1.01 H new ATOM 0 HE1 MET B 60 -26.031 5.036 -6.611 1.00 2.31 H new ATOM 0 HE2 MET B 60 -25.316 5.978 -7.940 1.00 2.31 H new ATOM 0 HE3 MET B 60 -24.626 4.398 -7.497 1.00 2.31 H new ATOM 2527 N LYS B 61 -19.551 5.046 -9.315 1.00 0.97 N ATOM 2528 CA LYS B 61 -18.926 4.186 -10.308 1.00 1.02 C ATOM 2529 C LYS B 61 -17.874 3.319 -9.650 1.00 0.96 C ATOM 2530 O LYS B 61 -17.855 2.100 -9.825 1.00 0.92 O ATOM 2531 CB LYS B 61 -18.313 5.024 -11.421 1.00 1.09 C ATOM 2532 CG LYS B 61 -17.423 4.236 -12.360 1.00 1.55 C ATOM 2533 CD LYS B 61 -18.230 3.245 -13.180 1.00 2.08 C ATOM 2534 CE LYS B 61 -17.384 2.593 -14.260 1.00 2.60 C ATOM 2535 NZ LYS B 61 -16.237 1.840 -13.688 1.00 3.16 N ATOM 0 H LYS B 61 -19.184 5.997 -9.294 1.00 0.97 H new ATOM 0 HA LYS B 61 -19.686 3.539 -10.747 1.00 1.02 H new ATOM 0 HB2 LYS B 61 -19.114 5.487 -11.997 1.00 1.09 H new ATOM 0 HB3 LYS B 61 -17.732 5.832 -10.977 1.00 1.09 H new ATOM 0 HG2 LYS B 61 -16.897 4.920 -13.026 1.00 1.55 H new ATOM 0 HG3 LYS B 61 -16.665 3.704 -11.786 1.00 1.55 H new ATOM 0 HD2 LYS B 61 -18.639 2.477 -12.524 1.00 2.08 H new ATOM 0 HD3 LYS B 61 -19.077 3.756 -13.639 1.00 2.08 H new ATOM 0 HE2 LYS B 61 -18.005 1.917 -14.848 1.00 2.60 H new ATOM 0 HE3 LYS B 61 -17.012 3.358 -14.941 1.00 2.60 H new ATOM 0 HZ1 LYS B 61 -15.725 1.355 -14.452 1.00 3.16 H new ATOM 0 HZ2 LYS B 61 -15.595 2.500 -13.205 1.00 3.16 H new ATOM 0 HZ3 LYS B 61 -16.588 1.138 -13.006 1.00 3.16 H new ATOM 2549 N THR B 62 -16.996 3.956 -8.889 1.00 0.99 N ATOM 2550 CA THR B 62 -15.956 3.238 -8.183 1.00 0.96 C ATOM 2551 C THR B 62 -16.574 2.144 -7.317 1.00 0.87 C ATOM 2552 O THR B 62 -15.905 1.187 -6.936 1.00 0.84 O ATOM 2553 CB THR B 62 -15.113 4.186 -7.312 1.00 1.03 C ATOM 2554 OG1 THR B 62 -14.458 5.149 -8.141 1.00 1.13 O ATOM 2555 CG2 THR B 62 -14.081 3.418 -6.502 1.00 1.05 C ATOM 0 H THR B 62 -16.986 4.966 -8.748 1.00 0.99 H new ATOM 0 HA THR B 62 -15.296 2.785 -8.923 1.00 0.96 H new ATOM 0 HB THR B 62 -15.781 4.694 -6.617 1.00 1.03 H new ATOM 0 HG1 THR B 62 -15.104 5.830 -8.424 1.00 1.13 H new ATOM 0 HG21 THR B 62 -13.501 4.115 -5.897 1.00 1.05 H new ATOM 0 HG22 THR B 62 -14.587 2.706 -5.850 1.00 1.05 H new ATOM 0 HG23 THR B 62 -13.414 2.882 -7.177 1.00 1.05 H new ATOM 2563 N LEU B 63 -17.861 2.299 -7.002 1.00 0.86 N ATOM 2564 CA LEU B 63 -18.582 1.309 -6.216 1.00 0.83 C ATOM 2565 C LEU B 63 -18.375 -0.082 -6.813 1.00 0.80 C ATOM 2566 O LEU B 63 -18.110 -1.049 -6.106 1.00 0.89 O ATOM 2567 CB LEU B 63 -20.072 1.656 -6.197 1.00 0.95 C ATOM 2568 CG LEU B 63 -20.693 1.798 -4.808 1.00 0.92 C ATOM 2569 CD1 LEU B 63 -20.855 3.262 -4.435 1.00 1.05 C ATOM 2570 CD2 LEU B 63 -22.034 1.081 -4.745 1.00 1.41 C ATOM 0 H LEU B 63 -18.422 3.104 -7.282 1.00 0.86 H new ATOM 0 HA LEU B 63 -18.201 1.313 -5.195 1.00 0.83 H new ATOM 0 HB2 LEU B 63 -20.217 2.591 -6.739 1.00 0.95 H new ATOM 0 HB3 LEU B 63 -20.615 0.884 -6.742 1.00 0.95 H new ATOM 0 HG LEU B 63 -20.019 1.335 -4.087 1.00 0.92 H new ATOM 0 HD11 LEU B 63 -21.299 3.338 -3.442 1.00 1.05 H new ATOM 0 HD12 LEU B 63 -19.879 3.747 -4.434 1.00 1.05 H new ATOM 0 HD13 LEU B 63 -21.503 3.753 -5.161 1.00 1.05 H new ATOM 0 HD21 LEU B 63 -22.460 1.194 -3.748 1.00 1.41 H new ATOM 0 HD22 LEU B 63 -22.712 1.513 -5.481 1.00 1.41 H new ATOM 0 HD23 LEU B 63 -21.891 0.022 -4.961 1.00 1.41 H new ATOM 2582 N ASP B 64 -18.507 -0.171 -8.127 1.00 0.78 N ATOM 2583 CA ASP B 64 -18.321 -1.433 -8.827 1.00 0.81 C ATOM 2584 C ASP B 64 -16.837 -1.719 -9.050 1.00 0.81 C ATOM 2585 O ASP B 64 -16.378 -2.850 -8.880 1.00 0.88 O ATOM 2586 CB ASP B 64 -19.061 -1.402 -10.164 1.00 0.91 C ATOM 2587 CG ASP B 64 -20.566 -1.379 -9.989 1.00 1.34 C ATOM 2588 OD1 ASP B 64 -21.167 -2.468 -9.870 1.00 2.05 O ATOM 2589 OD2 ASP B 64 -21.144 -0.272 -9.971 1.00 1.96 O ATOM 0 H ASP B 64 -18.742 0.616 -8.731 1.00 0.78 H new ATOM 0 HA ASP B 64 -18.731 -2.233 -8.211 1.00 0.81 H new ATOM 0 HB2 ASP B 64 -18.750 -0.523 -10.728 1.00 0.91 H new ATOM 0 HB3 ASP B 64 -18.779 -2.275 -10.753 1.00 0.91 H new ATOM 2594 N VAL B 65 -16.093 -0.684 -9.428 1.00 0.81 N ATOM 2595 CA VAL B 65 -14.659 -0.813 -9.680 1.00 0.87 C ATOM 2596 C VAL B 65 -13.911 -1.260 -8.428 1.00 0.77 C ATOM 2597 O VAL B 65 -13.195 -2.262 -8.443 1.00 0.83 O ATOM 2598 CB VAL B 65 -14.059 0.519 -10.168 1.00 0.95 C ATOM 2599 CG1 VAL B 65 -12.568 0.376 -10.435 1.00 1.06 C ATOM 2600 CG2 VAL B 65 -14.784 1.005 -11.413 1.00 1.07 C ATOM 0 H VAL B 65 -16.460 0.257 -9.567 1.00 0.81 H new ATOM 0 HA VAL B 65 -14.543 -1.570 -10.456 1.00 0.87 H new ATOM 0 HB VAL B 65 -14.191 1.261 -9.381 1.00 0.95 H new ATOM 0 HG11 VAL B 65 -12.167 1.329 -10.779 1.00 1.06 H new ATOM 0 HG12 VAL B 65 -12.061 0.078 -9.517 1.00 1.06 H new ATOM 0 HG13 VAL B 65 -12.407 -0.383 -11.201 1.00 1.06 H new ATOM 0 HG21 VAL B 65 -14.347 1.947 -11.744 1.00 1.07 H new ATOM 0 HG22 VAL B 65 -14.686 0.262 -12.204 1.00 1.07 H new ATOM 0 HG23 VAL B 65 -15.839 1.155 -11.184 1.00 1.07 H new ATOM 2610 N ASN B 66 -14.086 -0.510 -7.343 1.00 0.72 N ATOM 2611 CA ASN B 66 -13.428 -0.815 -6.075 1.00 0.67 C ATOM 2612 C ASN B 66 -14.154 -1.900 -5.285 1.00 0.56 C ATOM 2613 O ASN B 66 -13.893 -2.081 -4.096 1.00 0.57 O ATOM 2614 CB ASN B 66 -13.326 0.433 -5.213 1.00 0.81 C ATOM 2615 CG ASN B 66 -12.135 1.312 -5.570 1.00 0.82 C ATOM 2616 OD1 ASN B 66 -11.573 1.987 -4.709 1.00 1.52 O ATOM 2617 ND2 ASN B 66 -11.740 1.312 -6.841 1.00 1.10 N ATOM 0 H ASN B 66 -14.681 0.318 -7.317 1.00 0.72 H new ATOM 0 HA ASN B 66 -12.433 -1.184 -6.326 1.00 0.67 H new ATOM 0 HB2 ASN B 66 -14.242 1.014 -5.316 1.00 0.81 H new ATOM 0 HB3 ASN B 66 -13.252 0.139 -4.166 1.00 0.81 H new ATOM 0 HD21 ASN B 66 -10.947 1.885 -7.128 1.00 1.10 H new ATOM 0 HD22 ASN B 66 -12.231 0.739 -7.528 1.00 1.10 H new ATOM 2624 N GLN B 67 -15.076 -2.605 -5.934 1.00 0.63 N ATOM 2625 CA GLN B 67 -15.826 -3.684 -5.298 1.00 0.68 C ATOM 2626 C GLN B 67 -14.936 -4.508 -4.387 1.00 0.61 C ATOM 2627 O GLN B 67 -15.116 -4.548 -3.169 1.00 0.66 O ATOM 2628 CB GLN B 67 -16.387 -4.598 -6.380 1.00 0.90 C ATOM 2629 CG GLN B 67 -17.114 -5.821 -5.847 1.00 0.74 C ATOM 2630 CD GLN B 67 -16.185 -6.986 -5.545 1.00 1.20 C ATOM 2631 OE1 GLN B 67 -15.856 -7.772 -6.431 1.00 2.01 O ATOM 2632 NE2 GLN B 67 -15.778 -7.117 -4.282 1.00 1.44 N ATOM 0 H GLN B 67 -15.324 -2.446 -6.911 1.00 0.63 H new ATOM 0 HA GLN B 67 -16.625 -3.243 -4.703 1.00 0.68 H new ATOM 0 HB2 GLN B 67 -17.073 -4.025 -7.004 1.00 0.90 H new ATOM 0 HB3 GLN B 67 -15.570 -4.926 -7.022 1.00 0.90 H new ATOM 0 HG2 GLN B 67 -17.652 -5.549 -4.939 1.00 0.74 H new ATOM 0 HG3 GLN B 67 -17.860 -6.139 -6.576 1.00 0.74 H new ATOM 0 HE21 GLN B 67 -16.075 -6.442 -3.578 1.00 1.44 H new ATOM 0 HE22 GLN B 67 -15.170 -7.893 -4.020 1.00 1.44 H new ATOM 2641 N ASP B 68 -13.972 -5.161 -5.011 1.00 0.59 N ATOM 2642 CA ASP B 68 -13.028 -6.016 -4.321 1.00 0.62 C ATOM 2643 C ASP B 68 -11.891 -5.218 -3.695 1.00 0.59 C ATOM 2644 O ASP B 68 -10.894 -5.807 -3.282 1.00 0.65 O ATOM 2645 CB ASP B 68 -12.438 -7.023 -5.307 1.00 0.73 C ATOM 2646 CG ASP B 68 -13.356 -8.191 -5.596 1.00 0.97 C ATOM 2647 OD1 ASP B 68 -13.856 -8.807 -4.633 1.00 1.50 O ATOM 2648 OD2 ASP B 68 -13.574 -8.490 -6.790 1.00 1.58 O ATOM 0 H ASP B 68 -13.823 -5.111 -6.019 1.00 0.59 H new ATOM 0 HA ASP B 68 -13.567 -6.527 -3.523 1.00 0.62 H new ATOM 0 HB2 ASP B 68 -12.207 -6.512 -6.242 1.00 0.73 H new ATOM 0 HB3 ASP B 68 -11.496 -7.401 -4.909 1.00 0.73 H new ATOM 2653 N SER B 69 -12.035 -3.886 -3.616 1.00 0.56 N ATOM 2654 CA SER B 69 -10.984 -3.029 -3.059 1.00 0.58 C ATOM 2655 C SER B 69 -10.347 -3.681 -1.844 1.00 0.62 C ATOM 2656 O SER B 69 -9.150 -3.540 -1.594 1.00 0.74 O ATOM 2657 CB SER B 69 -11.548 -1.659 -2.679 1.00 0.66 C ATOM 2658 OG SER B 69 -12.706 -1.788 -1.872 1.00 1.74 O ATOM 0 H SER B 69 -12.865 -3.384 -3.930 1.00 0.56 H new ATOM 0 HA SER B 69 -10.220 -2.894 -3.825 1.00 0.58 H new ATOM 0 HB2 SER B 69 -10.790 -1.086 -2.144 1.00 0.66 H new ATOM 0 HB3 SER B 69 -11.791 -1.100 -3.582 1.00 0.66 H new ATOM 0 HG SER B 69 -13.449 -2.120 -2.417 1.00 1.74 H new ATOM 2664 N GLU B 70 -11.169 -4.395 -1.095 1.00 0.63 N ATOM 2665 CA GLU B 70 -10.692 -5.132 0.058 1.00 0.76 C ATOM 2666 C GLU B 70 -11.025 -6.588 -0.126 1.00 0.77 C ATOM 2667 O GLU B 70 -11.992 -6.941 -0.801 1.00 0.81 O ATOM 2668 CB GLU B 70 -11.275 -4.623 1.370 1.00 0.84 C ATOM 2669 CG GLU B 70 -11.360 -5.694 2.474 1.00 1.33 C ATOM 2670 CD GLU B 70 -10.006 -6.181 2.933 1.00 2.19 C ATOM 2671 OE1 GLU B 70 -8.995 -5.811 2.299 1.00 2.87 O ATOM 2672 OE2 GLU B 70 -9.952 -6.937 3.926 1.00 2.73 O ATOM 0 H GLU B 70 -12.171 -4.479 -1.266 1.00 0.63 H new ATOM 0 HA GLU B 70 -9.614 -4.988 0.123 1.00 0.76 H new ATOM 0 HB2 GLU B 70 -10.666 -3.793 1.729 1.00 0.84 H new ATOM 0 HB3 GLU B 70 -12.274 -4.228 1.183 1.00 0.84 H new ATOM 0 HG2 GLU B 70 -11.901 -5.285 3.327 1.00 1.33 H new ATOM 0 HG3 GLU B 70 -11.939 -6.541 2.106 1.00 1.33 H new ATOM 2679 N LEU B 71 -10.221 -7.427 0.476 1.00 0.79 N ATOM 2680 CA LEU B 71 -10.426 -8.824 0.362 1.00 0.83 C ATOM 2681 C LEU B 71 -10.139 -9.616 1.648 1.00 0.81 C ATOM 2682 O LEU B 71 -9.485 -9.141 2.563 1.00 0.86 O ATOM 2683 CB LEU B 71 -9.507 -9.205 -0.753 1.00 0.99 C ATOM 2684 CG LEU B 71 -9.249 -10.644 -0.958 1.00 0.78 C ATOM 2685 CD1 LEU B 71 -8.305 -11.247 0.074 1.00 1.89 C ATOM 2686 CD2 LEU B 71 -10.547 -11.370 -1.131 1.00 1.25 C ATOM 0 H LEU B 71 -9.421 -7.154 1.047 1.00 0.79 H new ATOM 0 HA LEU B 71 -11.473 -9.063 0.173 1.00 0.83 H new ATOM 0 HB2 LEU B 71 -9.915 -8.801 -1.679 1.00 0.99 H new ATOM 0 HB3 LEU B 71 -8.550 -8.712 -0.584 1.00 0.99 H new ATOM 0 HG LEU B 71 -8.691 -10.768 -1.886 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -8.162 -12.306 -0.139 1.00 1.89 H new ATOM 0 HD12 LEU B 71 -7.344 -10.735 0.031 1.00 1.89 H new ATOM 0 HD13 LEU B 71 -8.733 -11.132 1.070 1.00 1.89 H new ATOM 0 HD21 LEU B 71 -10.353 -12.432 -1.282 1.00 1.25 H new ATOM 0 HD22 LEU B 71 -11.160 -11.237 -0.240 1.00 1.25 H new ATOM 0 HD23 LEU B 71 -11.074 -10.971 -1.997 1.00 1.25 H new ATOM 2698 N ARG B 72 -10.769 -10.778 1.744 1.00 0.77 N ATOM 2699 CA ARG B 72 -10.546 -11.726 2.820 1.00 0.80 C ATOM 2700 C ARG B 72 -10.006 -13.026 2.205 1.00 0.69 C ATOM 2701 O ARG B 72 -9.187 -13.720 2.804 1.00 0.76 O ATOM 2702 CB ARG B 72 -11.845 -12.007 3.576 1.00 0.91 C ATOM 2703 CG ARG B 72 -12.829 -10.848 3.591 1.00 1.00 C ATOM 2704 CD ARG B 72 -12.158 -9.509 3.835 1.00 1.06 C ATOM 2705 NE ARG B 72 -10.913 -9.624 4.591 1.00 1.30 N ATOM 2706 CZ ARG B 72 -10.868 -9.861 5.898 1.00 1.18 C ATOM 2707 NH1 ARG B 72 -11.992 -10.027 6.583 1.00 1.55 N ATOM 2708 NH2 ARG B 72 -9.700 -9.933 6.521 1.00 1.42 N ATOM 0 H ARG B 72 -11.461 -11.091 1.063 1.00 0.77 H new ATOM 0 HA ARG B 72 -9.831 -11.312 3.531 1.00 0.80 H new ATOM 0 HB2 ARG B 72 -12.331 -12.874 3.128 1.00 0.91 H new ATOM 0 HB3 ARG B 72 -11.602 -12.274 4.604 1.00 0.91 H new ATOM 0 HG2 ARG B 72 -13.359 -10.815 2.639 1.00 1.00 H new ATOM 0 HG3 ARG B 72 -13.576 -11.021 4.366 1.00 1.00 H new ATOM 0 HD2 ARG B 72 -11.952 -9.032 2.877 1.00 1.06 H new ATOM 0 HD3 ARG B 72 -12.845 -8.857 4.374 1.00 1.06 H new ATOM 0 HE ARG B 72 -10.032 -9.517 4.089 1.00 1.30 H new ATOM 0 HH11 ARG B 72 -12.892 -9.973 6.107 1.00 1.55 H new ATOM 0 HH12 ARG B 72 -11.956 -10.209 7.586 1.00 1.55 H new ATOM 0 HH21 ARG B 72 -8.834 -9.806 5.997 1.00 1.42 H new ATOM 0 HH22 ARG B 72 -9.667 -10.115 7.524 1.00 1.42 H new ATOM 2722 N PHE B 73 -10.472 -13.321 0.976 1.00 0.60 N ATOM 2723 CA PHE B 73 -10.040 -14.499 0.222 1.00 0.57 C ATOM 2724 C PHE B 73 -8.899 -14.213 -0.815 1.00 0.52 C ATOM 2725 O PHE B 73 -7.758 -14.099 -0.423 1.00 0.63 O ATOM 2726 CB PHE B 73 -11.278 -15.210 -0.388 1.00 0.65 C ATOM 2727 CG PHE B 73 -11.860 -14.677 -1.677 1.00 0.59 C ATOM 2728 CD1 PHE B 73 -12.416 -13.410 -1.747 1.00 1.36 C ATOM 2729 CD2 PHE B 73 -11.854 -15.454 -2.822 1.00 1.24 C ATOM 2730 CE1 PHE B 73 -12.940 -12.923 -2.914 1.00 1.44 C ATOM 2731 CE2 PHE B 73 -12.387 -14.973 -4.004 1.00 1.32 C ATOM 2732 CZ PHE B 73 -12.928 -13.702 -4.051 1.00 0.87 C ATOM 0 H PHE B 73 -11.157 -12.747 0.485 1.00 0.60 H new ATOM 0 HA PHE B 73 -9.566 -15.186 0.922 1.00 0.57 H new ATOM 0 HB2 PHE B 73 -11.012 -16.254 -0.553 1.00 0.65 H new ATOM 0 HB3 PHE B 73 -12.069 -15.197 0.362 1.00 0.65 H new ATOM 0 HD1 PHE B 73 -12.436 -12.793 -0.861 1.00 1.36 H new ATOM 0 HD2 PHE B 73 -11.429 -16.446 -2.792 1.00 1.24 H new ATOM 0 HE1 PHE B 73 -13.362 -11.929 -2.944 1.00 1.44 H new ATOM 0 HE2 PHE B 73 -12.381 -15.590 -4.890 1.00 1.32 H new ATOM 0 HZ PHE B 73 -13.339 -13.321 -4.974 1.00 0.87 H new ATOM 2742 N SER B 74 -9.172 -13.986 -2.101 1.00 0.48 N ATOM 2743 CA SER B 74 -8.055 -13.851 -3.075 1.00 0.48 C ATOM 2744 C SER B 74 -7.967 -12.499 -3.743 1.00 0.42 C ATOM 2745 O SER B 74 -6.933 -12.137 -4.304 1.00 0.46 O ATOM 2746 CB SER B 74 -8.129 -14.923 -4.161 1.00 0.63 C ATOM 2747 OG SER B 74 -9.467 -15.325 -4.398 1.00 1.03 O ATOM 0 H SER B 74 -10.109 -13.893 -2.493 1.00 0.48 H new ATOM 0 HA SER B 74 -7.157 -13.975 -2.470 1.00 0.48 H new ATOM 0 HB2 SER B 74 -7.694 -14.539 -5.084 1.00 0.63 H new ATOM 0 HB3 SER B 74 -7.535 -15.787 -3.863 1.00 0.63 H new ATOM 0 HG SER B 74 -9.891 -15.568 -3.549 1.00 1.03 H new ATOM 2753 N GLU B 75 -9.036 -11.764 -3.685 1.00 0.43 N ATOM 2754 CA GLU B 75 -9.098 -10.430 -4.273 1.00 0.42 C ATOM 2755 C GLU B 75 -8.120 -9.412 -3.637 1.00 0.42 C ATOM 2756 O GLU B 75 -8.236 -8.216 -3.901 1.00 0.56 O ATOM 2757 CB GLU B 75 -10.518 -9.890 -4.119 1.00 0.44 C ATOM 2758 CG GLU B 75 -11.603 -10.805 -4.638 1.00 0.59 C ATOM 2759 CD GLU B 75 -11.736 -10.768 -6.147 1.00 0.93 C ATOM 2760 OE1 GLU B 75 -11.473 -9.701 -6.739 1.00 1.41 O ATOM 2761 OE2 GLU B 75 -12.104 -11.805 -6.737 1.00 1.60 O ATOM 0 H GLU B 75 -9.900 -12.059 -3.231 1.00 0.43 H new ATOM 0 HA GLU B 75 -8.806 -10.541 -5.317 1.00 0.42 H new ATOM 0 HB2 GLU B 75 -10.704 -9.691 -3.063 1.00 0.44 H new ATOM 0 HB3 GLU B 75 -10.587 -8.935 -4.640 1.00 0.44 H new ATOM 0 HG2 GLU B 75 -11.391 -11.827 -4.322 1.00 0.59 H new ATOM 0 HG3 GLU B 75 -12.555 -10.523 -4.188 1.00 0.59 H new ATOM 2768 N TYR B 76 -7.160 -9.861 -2.810 1.00 0.38 N ATOM 2769 CA TYR B 76 -6.264 -8.940 -2.150 1.00 0.38 C ATOM 2770 C TYR B 76 -5.482 -8.122 -3.158 1.00 0.39 C ATOM 2771 O TYR B 76 -4.960 -7.057 -2.851 1.00 0.42 O ATOM 2772 CB TYR B 76 -5.333 -9.663 -1.173 1.00 0.40 C ATOM 2773 CG TYR B 76 -5.829 -9.683 0.249 1.00 0.41 C ATOM 2774 CD1 TYR B 76 -6.587 -8.645 0.763 1.00 1.22 C ATOM 2775 CD2 TYR B 76 -5.562 -10.766 1.071 1.00 1.29 C ATOM 2776 CE1 TYR B 76 -7.060 -8.675 2.043 1.00 1.26 C ATOM 2777 CE2 TYR B 76 -6.037 -10.808 2.363 1.00 1.29 C ATOM 2778 CZ TYR B 76 -6.790 -9.760 2.846 1.00 0.48 C ATOM 2779 OH TYR B 76 -7.265 -9.795 4.136 1.00 0.54 O ATOM 0 H TYR B 76 -6.998 -10.845 -2.595 1.00 0.38 H new ATOM 0 HA TYR B 76 -6.873 -8.251 -1.565 1.00 0.38 H new ATOM 0 HB2 TYR B 76 -5.194 -10.689 -1.512 1.00 0.40 H new ATOM 0 HB3 TYR B 76 -4.354 -9.184 -1.198 1.00 0.40 H new ATOM 0 HD1 TYR B 76 -6.809 -7.793 0.138 1.00 1.22 H new ATOM 0 HD2 TYR B 76 -4.973 -11.589 0.693 1.00 1.29 H new ATOM 0 HE1 TYR B 76 -7.644 -7.850 2.424 1.00 1.26 H new ATOM 0 HE2 TYR B 76 -5.821 -11.657 2.994 1.00 1.29 H new ATOM 0 HH TYR B 76 -8.104 -9.292 4.189 1.00 0.54 H new ATOM 2789 N TRP B 77 -5.396 -8.620 -4.372 1.00 0.40 N ATOM 2790 CA TRP B 77 -4.729 -7.873 -5.430 1.00 0.43 C ATOM 2791 C TRP B 77 -5.390 -6.515 -5.576 1.00 0.45 C ATOM 2792 O TRP B 77 -4.847 -5.623 -6.214 1.00 0.50 O ATOM 2793 CB TRP B 77 -4.833 -8.623 -6.744 1.00 0.45 C ATOM 2794 CG TRP B 77 -6.252 -8.893 -7.113 1.00 0.45 C ATOM 2795 CD1 TRP B 77 -7.213 -7.973 -7.421 1.00 0.50 C ATOM 2796 CD2 TRP B 77 -6.882 -10.171 -7.169 1.00 0.46 C ATOM 2797 NE1 TRP B 77 -8.392 -8.611 -7.704 1.00 0.53 N ATOM 2798 CE2 TRP B 77 -8.218 -9.963 -7.553 1.00 0.51 C ATOM 2799 CE3 TRP B 77 -6.440 -11.472 -6.943 1.00 0.47 C ATOM 2800 CZ2 TRP B 77 -9.117 -11.016 -7.713 1.00 0.56 C ATOM 2801 CZ3 TRP B 77 -7.329 -12.515 -7.095 1.00 0.53 C ATOM 2802 CH2 TRP B 77 -8.653 -12.284 -7.479 1.00 0.56 C ATOM 0 H TRP B 77 -5.772 -9.525 -4.654 1.00 0.40 H new ATOM 0 HA TRP B 77 -3.677 -7.750 -5.172 1.00 0.43 H new ATOM 0 HB2 TRP B 77 -4.356 -8.042 -7.533 1.00 0.45 H new ATOM 0 HB3 TRP B 77 -4.291 -9.565 -6.669 1.00 0.45 H new ATOM 0 HD1 TRP B 77 -7.066 -6.903 -7.439 1.00 0.50 H new ATOM 0 HE1 TRP B 77 -9.260 -8.154 -7.982 1.00 0.53 H new ATOM 0 HE3 TRP B 77 -5.417 -11.661 -6.653 1.00 0.47 H new ATOM 0 HZ2 TRP B 77 -10.140 -10.839 -8.010 1.00 0.56 H new ATOM 0 HZ3 TRP B 77 -6.997 -13.527 -6.914 1.00 0.53 H new ATOM 0 HH2 TRP B 77 -9.324 -13.122 -7.594 1.00 0.56 H new ATOM 2813 N ARG B 78 -6.593 -6.370 -5.026 1.00 0.43 N ATOM 2814 CA ARG B 78 -7.271 -5.110 -5.079 1.00 0.47 C ATOM 2815 C ARG B 78 -6.611 -4.099 -4.147 1.00 0.49 C ATOM 2816 O ARG B 78 -6.406 -2.953 -4.539 1.00 0.62 O ATOM 2817 CB ARG B 78 -8.755 -5.276 -4.766 1.00 0.50 C ATOM 2818 CG ARG B 78 -9.590 -5.568 -5.997 1.00 0.61 C ATOM 2819 CD ARG B 78 -9.355 -4.547 -7.097 1.00 0.77 C ATOM 2820 NE ARG B 78 -9.331 -3.178 -6.592 1.00 1.49 N ATOM 2821 CZ ARG B 78 -8.979 -2.129 -7.331 1.00 1.76 C ATOM 2822 NH1 ARG B 78 -8.606 -2.299 -8.593 1.00 1.37 N ATOM 2823 NH2 ARG B 78 -9.002 -0.911 -6.810 1.00 2.83 N ATOM 0 H ARG B 78 -7.102 -7.112 -4.546 1.00 0.43 H new ATOM 0 HA ARG B 78 -7.192 -4.722 -6.095 1.00 0.47 H new ATOM 0 HB2 ARG B 78 -8.881 -6.086 -4.048 1.00 0.50 H new ATOM 0 HB3 ARG B 78 -9.124 -4.368 -4.290 1.00 0.50 H new ATOM 0 HG2 ARG B 78 -9.351 -6.564 -6.369 1.00 0.61 H new ATOM 0 HG3 ARG B 78 -10.646 -5.573 -5.726 1.00 0.61 H new ATOM 0 HD2 ARG B 78 -8.410 -4.764 -7.594 1.00 0.77 H new ATOM 0 HD3 ARG B 78 -10.139 -4.640 -7.848 1.00 0.77 H new ATOM 0 HE ARG B 78 -9.598 -3.017 -5.621 1.00 1.49 H new ATOM 0 HH11 ARG B 78 -8.589 -3.235 -8.998 1.00 1.37 H new ATOM 0 HH12 ARG B 78 -8.337 -1.494 -9.158 1.00 1.37 H new ATOM 0 HH21 ARG B 78 -9.290 -0.776 -5.841 1.00 2.83 H new ATOM 0 HH22 ARG B 78 -8.732 -0.108 -7.378 1.00 2.83 H new ATOM 2837 N LEU B 79 -6.235 -4.523 -2.929 1.00 0.42 N ATOM 2838 CA LEU B 79 -5.583 -3.612 -1.996 1.00 0.45 C ATOM 2839 C LEU B 79 -4.356 -3.026 -2.657 1.00 0.46 C ATOM 2840 O LEU B 79 -3.916 -1.924 -2.329 1.00 0.53 O ATOM 2841 CB LEU B 79 -5.130 -4.317 -0.714 1.00 0.53 C ATOM 2842 CG LEU B 79 -5.854 -5.591 -0.304 1.00 0.62 C ATOM 2843 CD1 LEU B 79 -5.246 -6.120 0.988 1.00 1.23 C ATOM 2844 CD2 LEU B 79 -7.334 -5.341 -0.140 1.00 0.88 C ATOM 0 H LEU B 79 -6.371 -5.472 -2.580 1.00 0.42 H new ATOM 0 HA LEU B 79 -6.310 -2.844 -1.732 1.00 0.45 H new ATOM 0 HB2 LEU B 79 -4.071 -4.554 -0.820 1.00 0.53 H new ATOM 0 HB3 LEU B 79 -5.217 -3.605 0.107 1.00 0.53 H new ATOM 0 HG LEU B 79 -5.734 -6.338 -1.088 1.00 0.62 H new ATOM 0 HD11 LEU B 79 -5.762 -7.033 1.286 1.00 1.23 H new ATOM 0 HD12 LEU B 79 -4.189 -6.335 0.831 1.00 1.23 H new ATOM 0 HD13 LEU B 79 -5.352 -5.371 1.773 1.00 1.23 H new ATOM 0 HD21 LEU B 79 -7.829 -6.267 0.153 1.00 0.88 H new ATOM 0 HD22 LEU B 79 -7.492 -4.585 0.629 1.00 0.88 H new ATOM 0 HD23 LEU B 79 -7.751 -4.990 -1.084 1.00 0.88 H new ATOM 2856 N ILE B 80 -3.807 -3.787 -3.594 1.00 0.44 N ATOM 2857 CA ILE B 80 -2.627 -3.388 -4.323 1.00 0.48 C ATOM 2858 C ILE B 80 -2.698 -1.896 -4.710 1.00 0.48 C ATOM 2859 O ILE B 80 -1.793 -1.123 -4.399 1.00 0.51 O ATOM 2860 CB ILE B 80 -2.429 -4.330 -5.551 1.00 0.52 C ATOM 2861 CG1 ILE B 80 -0.940 -4.598 -5.764 1.00 0.59 C ATOM 2862 CG2 ILE B 80 -3.045 -3.759 -6.826 1.00 0.55 C ATOM 2863 CD1 ILE B 80 -0.658 -5.619 -6.843 1.00 1.16 C ATOM 0 H ILE B 80 -4.174 -4.699 -3.865 1.00 0.44 H new ATOM 0 HA ILE B 80 -1.748 -3.492 -3.687 1.00 0.48 H new ATOM 0 HB ILE B 80 -2.946 -5.264 -5.333 1.00 0.52 H new ATOM 0 HG12 ILE B 80 -0.444 -3.662 -6.022 1.00 0.59 H new ATOM 0 HG13 ILE B 80 -0.503 -4.942 -4.826 1.00 0.59 H new ATOM 0 HG21 ILE B 80 -2.880 -4.452 -7.651 1.00 0.55 H new ATOM 0 HG22 ILE B 80 -4.116 -3.616 -6.680 1.00 0.55 H new ATOM 0 HG23 ILE B 80 -2.579 -2.801 -7.058 1.00 0.55 H new ATOM 0 HD11 ILE B 80 0.419 -5.759 -6.939 1.00 1.16 H new ATOM 0 HD12 ILE B 80 -1.125 -6.568 -6.577 1.00 1.16 H new ATOM 0 HD13 ILE B 80 -1.064 -5.268 -7.791 1.00 1.16 H new ATOM 2875 N GLY B 81 -3.779 -1.507 -5.380 1.00 0.47 N ATOM 2876 CA GLY B 81 -3.961 -0.116 -5.766 1.00 0.49 C ATOM 2877 C GLY B 81 -4.559 0.741 -4.653 1.00 0.43 C ATOM 2878 O GLY B 81 -4.611 1.965 -4.771 1.00 0.43 O ATOM 0 H GLY B 81 -4.535 -2.131 -5.664 1.00 0.47 H new ATOM 0 HA2 GLY B 81 -2.998 0.302 -6.061 1.00 0.49 H new ATOM 0 HA3 GLY B 81 -4.610 -0.070 -6.641 1.00 0.49 H new ATOM 2882 N GLU B 82 -5.011 0.097 -3.573 1.00 0.42 N ATOM 2883 CA GLU B 82 -5.634 0.793 -2.446 1.00 0.39 C ATOM 2884 C GLU B 82 -4.598 1.398 -1.525 1.00 0.33 C ATOM 2885 O GLU B 82 -4.553 2.612 -1.331 1.00 0.34 O ATOM 2886 CB GLU B 82 -6.477 -0.175 -1.648 1.00 0.44 C ATOM 2887 CG GLU B 82 -7.552 -0.867 -2.463 1.00 0.46 C ATOM 2888 CD GLU B 82 -8.548 0.107 -3.060 1.00 0.72 C ATOM 2889 OE1 GLU B 82 -9.431 0.585 -2.317 1.00 1.39 O ATOM 2890 OE2 GLU B 82 -8.444 0.394 -4.272 1.00 1.48 O ATOM 0 H GLU B 82 -4.956 -0.915 -3.456 1.00 0.42 H new ATOM 0 HA GLU B 82 -6.251 1.592 -2.856 1.00 0.39 H new ATOM 0 HB2 GLU B 82 -5.827 -0.930 -1.206 1.00 0.44 H new ATOM 0 HB3 GLU B 82 -6.948 0.361 -0.824 1.00 0.44 H new ATOM 0 HG2 GLU B 82 -7.084 -1.439 -3.264 1.00 0.46 H new ATOM 0 HG3 GLU B 82 -8.081 -1.579 -1.830 1.00 0.46 H new ATOM 2897 N LEU B 83 -3.756 0.537 -0.956 1.00 0.34 N ATOM 2898 CA LEU B 83 -2.707 0.991 -0.055 1.00 0.35 C ATOM 2899 C LEU B 83 -1.892 2.068 -0.735 1.00 0.34 C ATOM 2900 O LEU B 83 -1.161 2.813 -0.087 1.00 0.41 O ATOM 2901 CB LEU B 83 -1.797 -0.165 0.366 1.00 0.43 C ATOM 2902 CG LEU B 83 -2.413 -1.176 1.336 1.00 0.50 C ATOM 2903 CD1 LEU B 83 -3.553 -1.935 0.678 1.00 1.27 C ATOM 2904 CD2 LEU B 83 -1.347 -2.143 1.833 1.00 1.31 C ATOM 0 H LEU B 83 -3.782 -0.472 -1.104 1.00 0.34 H new ATOM 0 HA LEU B 83 -3.175 1.393 0.844 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -1.478 -0.697 -0.530 1.00 0.43 H new ATOM 0 HB3 LEU B 83 -0.900 0.251 0.825 1.00 0.43 H new ATOM 0 HG LEU B 83 -2.818 -0.630 2.188 1.00 0.50 H new ATOM 0 HD11 LEU B 83 -3.974 -2.647 1.388 1.00 1.27 H new ATOM 0 HD12 LEU B 83 -4.326 -1.232 0.367 1.00 1.27 H new ATOM 0 HD13 LEU B 83 -3.178 -2.471 -0.194 1.00 1.27 H new ATOM 0 HD21 LEU B 83 -1.797 -2.858 2.522 1.00 1.31 H new ATOM 0 HD22 LEU B 83 -0.917 -2.677 0.986 1.00 1.31 H new ATOM 0 HD23 LEU B 83 -0.563 -1.587 2.347 1.00 1.31 H new ATOM 2916 N ALA B 84 -1.980 2.111 -2.058 1.00 0.34 N ATOM 2917 CA ALA B 84 -1.291 3.132 -2.810 1.00 0.37 C ATOM 2918 C ALA B 84 -2.063 4.443 -2.799 1.00 0.41 C ATOM 2919 O ALA B 84 -1.462 5.511 -2.771 1.00 0.47 O ATOM 2920 CB ALA B 84 -1.065 2.681 -4.230 1.00 0.41 C ATOM 0 H ALA B 84 -2.519 1.453 -2.622 1.00 0.34 H new ATOM 0 HA ALA B 84 -0.326 3.300 -2.332 1.00 0.37 H new ATOM 0 HB1 ALA B 84 -0.544 3.464 -4.782 1.00 0.41 H new ATOM 0 HB2 ALA B 84 -0.462 1.773 -4.232 1.00 0.41 H new ATOM 0 HB3 ALA B 84 -2.025 2.480 -4.705 1.00 0.41 H new ATOM 2926 N LYS B 85 -3.397 4.364 -2.824 1.00 0.42 N ATOM 2927 CA LYS B 85 -4.239 5.567 -2.813 1.00 0.51 C ATOM 2928 C LYS B 85 -3.713 6.581 -1.836 1.00 0.50 C ATOM 2929 O LYS B 85 -3.428 7.725 -2.180 1.00 0.67 O ATOM 2930 CB LYS B 85 -5.683 5.211 -2.465 1.00 0.62 C ATOM 2931 CG LYS B 85 -6.306 4.188 -3.400 1.00 1.19 C ATOM 2932 CD LYS B 85 -6.457 4.732 -4.811 1.00 1.44 C ATOM 2933 CE LYS B 85 -7.186 6.066 -4.817 1.00 1.56 C ATOM 2934 NZ LYS B 85 -7.757 6.383 -6.155 1.00 2.69 N ATOM 0 H LYS B 85 -3.916 3.486 -2.852 1.00 0.42 H new ATOM 0 HA LYS B 85 -4.214 6.001 -3.813 1.00 0.51 H new ATOM 0 HB2 LYS B 85 -5.717 4.826 -1.446 1.00 0.62 H new ATOM 0 HB3 LYS B 85 -6.285 6.119 -2.482 1.00 0.62 H new ATOM 0 HG2 LYS B 85 -5.688 3.290 -3.421 1.00 1.19 H new ATOM 0 HG3 LYS B 85 -7.283 3.893 -3.017 1.00 1.19 H new ATOM 0 HD2 LYS B 85 -5.473 4.852 -5.264 1.00 1.44 H new ATOM 0 HD3 LYS B 85 -7.004 4.014 -5.423 1.00 1.44 H new ATOM 0 HE2 LYS B 85 -7.986 6.045 -4.077 1.00 1.56 H new ATOM 0 HE3 LYS B 85 -6.497 6.857 -4.520 1.00 1.56 H new ATOM 0 HZ1 LYS B 85 -8.633 6.932 -6.038 1.00 2.69 H new ATOM 0 HZ2 LYS B 85 -7.070 6.940 -6.702 1.00 2.69 H new ATOM 0 HZ3 LYS B 85 -7.968 5.499 -6.661 1.00 2.69 H new ATOM 2948 N GLU B 86 -3.561 6.121 -0.635 1.00 0.44 N ATOM 2949 CA GLU B 86 -3.053 6.941 0.448 1.00 0.45 C ATOM 2950 C GLU B 86 -1.690 7.516 0.084 1.00 0.44 C ATOM 2951 O GLU B 86 -1.366 8.651 0.430 1.00 0.48 O ATOM 2952 CB GLU B 86 -2.937 6.126 1.741 1.00 0.48 C ATOM 2953 CG GLU B 86 -2.623 4.668 1.506 1.00 0.98 C ATOM 2954 CD GLU B 86 -1.970 3.990 2.692 1.00 2.07 C ATOM 2955 OE1 GLU B 86 -1.127 4.631 3.353 1.00 2.90 O ATOM 2956 OE2 GLU B 86 -2.296 2.813 2.954 1.00 2.60 O ATOM 0 H GLU B 86 -3.783 5.163 -0.364 1.00 0.44 H new ATOM 0 HA GLU B 86 -3.757 7.758 0.609 1.00 0.45 H new ATOM 0 HB2 GLU B 86 -2.158 6.561 2.367 1.00 0.48 H new ATOM 0 HB3 GLU B 86 -3.872 6.204 2.296 1.00 0.48 H new ATOM 0 HG2 GLU B 86 -3.545 4.142 1.259 1.00 0.98 H new ATOM 0 HG3 GLU B 86 -1.965 4.581 0.641 1.00 0.98 H new ATOM 2963 N VAL B 87 -0.902 6.715 -0.621 1.00 0.44 N ATOM 2964 CA VAL B 87 0.432 7.112 -1.038 1.00 0.46 C ATOM 2965 C VAL B 87 0.394 7.985 -2.296 1.00 0.46 C ATOM 2966 O VAL B 87 1.306 8.772 -2.550 1.00 0.54 O ATOM 2967 CB VAL B 87 1.311 5.870 -1.293 1.00 0.55 C ATOM 2968 CG1 VAL B 87 2.695 6.276 -1.755 1.00 1.01 C ATOM 2969 CG2 VAL B 87 1.397 5.019 -0.035 1.00 0.81 C ATOM 0 H VAL B 87 -1.170 5.777 -0.918 1.00 0.44 H new ATOM 0 HA VAL B 87 0.864 7.700 -0.228 1.00 0.46 H new ATOM 0 HB VAL B 87 0.850 5.279 -2.084 1.00 0.55 H new ATOM 0 HG11 VAL B 87 3.297 5.384 -1.929 1.00 1.01 H new ATOM 0 HG12 VAL B 87 2.617 6.847 -2.680 1.00 1.01 H new ATOM 0 HG13 VAL B 87 3.169 6.890 -0.989 1.00 1.01 H new ATOM 0 HG21 VAL B 87 2.020 4.146 -0.228 1.00 0.81 H new ATOM 0 HG22 VAL B 87 1.835 5.606 0.772 1.00 0.81 H new ATOM 0 HG23 VAL B 87 0.397 4.695 0.254 1.00 0.81 H new ATOM 2979 N ARG B 88 -0.680 7.853 -3.063 1.00 0.49 N ATOM 2980 CA ARG B 88 -0.843 8.595 -4.309 1.00 0.51 C ATOM 2981 C ARG B 88 -0.787 10.107 -4.093 1.00 0.50 C ATOM 2982 O ARG B 88 -0.049 10.807 -4.783 1.00 0.58 O ATOM 2983 CB ARG B 88 -2.160 8.181 -4.967 1.00 0.56 C ATOM 2984 CG ARG B 88 -2.190 8.382 -6.475 1.00 0.67 C ATOM 2985 CD ARG B 88 -2.122 9.853 -6.849 1.00 1.33 C ATOM 2986 NE ARG B 88 -3.167 10.635 -6.192 1.00 1.83 N ATOM 2987 CZ ARG B 88 -3.209 11.963 -6.203 1.00 2.72 C ATOM 2988 NH1 ARG B 88 -2.262 12.653 -6.824 1.00 3.25 N ATOM 2989 NH2 ARG B 88 -4.194 12.602 -5.589 1.00 3.50 N ATOM 0 H ARG B 88 -1.459 7.233 -2.842 1.00 0.49 H new ATOM 0 HA ARG B 88 -0.011 8.350 -4.969 1.00 0.51 H new ATOM 0 HB2 ARG B 88 -2.349 7.130 -4.747 1.00 0.56 H new ATOM 0 HB3 ARG B 88 -2.973 8.752 -4.519 1.00 0.56 H new ATOM 0 HG2 ARG B 88 -1.353 7.852 -6.929 1.00 0.67 H new ATOM 0 HG3 ARG B 88 -3.102 7.945 -6.882 1.00 0.67 H new ATOM 0 HD2 ARG B 88 -1.145 10.252 -6.575 1.00 1.33 H new ATOM 0 HD3 ARG B 88 -2.217 9.957 -7.930 1.00 1.33 H new ATOM 0 HE ARG B 88 -3.905 10.134 -5.698 1.00 1.83 H new ATOM 0 HH11 ARG B 88 -1.500 12.164 -7.294 1.00 3.25 H new ATOM 0 HH12 ARG B 88 -2.296 13.672 -6.832 1.00 3.25 H new ATOM 0 HH21 ARG B 88 -4.922 12.074 -5.107 1.00 3.50 H new ATOM 0 HH22 ARG B 88 -4.225 13.621 -5.599 1.00 3.50 H new ATOM 3003 N LYS B 89 -1.554 10.611 -3.135 1.00 0.47 N ATOM 3004 CA LYS B 89 -1.560 12.045 -2.851 1.00 0.49 C ATOM 3005 C LYS B 89 -0.331 12.419 -2.059 1.00 0.48 C ATOM 3006 O LYS B 89 0.235 13.501 -2.216 1.00 0.53 O ATOM 3007 CB LYS B 89 -2.782 12.440 -2.034 1.00 0.56 C ATOM 3008 CG LYS B 89 -3.007 11.545 -0.806 1.00 0.69 C ATOM 3009 CD LYS B 89 -3.967 10.361 -1.041 1.00 1.55 C ATOM 3010 CE LYS B 89 -4.632 10.333 -2.425 1.00 2.46 C ATOM 3011 NZ LYS B 89 -5.467 9.118 -2.627 1.00 3.29 N ATOM 0 H LYS B 89 -2.175 10.057 -2.545 1.00 0.47 H new ATOM 0 HA LYS B 89 -1.577 12.567 -3.808 1.00 0.49 H new ATOM 0 HB2 LYS B 89 -2.673 13.474 -1.706 1.00 0.56 H new ATOM 0 HB3 LYS B 89 -3.665 12.399 -2.671 1.00 0.56 H new ATOM 0 HG2 LYS B 89 -2.044 11.155 -0.476 1.00 0.69 H new ATOM 0 HG3 LYS B 89 -3.398 12.157 0.006 1.00 0.69 H new ATOM 0 HD2 LYS B 89 -3.416 9.431 -0.900 1.00 1.55 H new ATOM 0 HD3 LYS B 89 -4.747 10.388 -0.280 1.00 1.55 H new ATOM 0 HE2 LYS B 89 -5.252 11.221 -2.545 1.00 2.46 H new ATOM 0 HE3 LYS B 89 -3.863 10.374 -3.196 1.00 2.46 H new ATOM 0 HZ1 LYS B 89 -6.201 9.315 -3.336 1.00 3.29 H new ATOM 0 HZ2 LYS B 89 -4.867 8.336 -2.958 1.00 3.29 H new ATOM 0 HZ3 LYS B 89 -5.917 8.853 -1.728 1.00 3.29 H new ATOM 3025 N GLU B 90 0.071 11.500 -1.205 1.00 0.47 N ATOM 3026 CA GLU B 90 1.211 11.691 -0.351 1.00 0.52 C ATOM 3027 C GLU B 90 2.464 11.934 -1.180 1.00 0.56 C ATOM 3028 O GLU B 90 3.462 12.445 -0.676 1.00 0.62 O ATOM 3029 CB GLU B 90 1.342 10.473 0.551 1.00 0.56 C ATOM 3030 CG GLU B 90 0.331 10.473 1.686 1.00 0.62 C ATOM 3031 CD GLU B 90 0.533 11.632 2.643 1.00 1.24 C ATOM 3032 OE1 GLU B 90 -0.037 12.715 2.390 1.00 1.93 O ATOM 3033 OE2 GLU B 90 1.261 11.459 3.643 1.00 1.93 O ATOM 0 H GLU B 90 -0.390 10.598 -1.088 1.00 0.47 H new ATOM 0 HA GLU B 90 1.078 12.575 0.273 1.00 0.52 H new ATOM 0 HB2 GLU B 90 1.214 9.569 -0.045 1.00 0.56 H new ATOM 0 HB3 GLU B 90 2.349 10.440 0.967 1.00 0.56 H new ATOM 0 HG2 GLU B 90 -0.676 10.520 1.271 1.00 0.62 H new ATOM 0 HG3 GLU B 90 0.406 9.535 2.236 1.00 0.62 H new ATOM 3040 N LYS B 91 2.408 11.574 -2.462 1.00 0.54 N ATOM 3041 CA LYS B 91 3.532 11.796 -3.354 1.00 0.61 C ATOM 3042 C LYS B 91 3.886 13.277 -3.359 1.00 0.63 C ATOM 3043 O LYS B 91 5.047 13.656 -3.203 1.00 0.70 O ATOM 3044 CB LYS B 91 3.198 11.311 -4.770 1.00 0.62 C ATOM 3045 CG LYS B 91 2.275 12.237 -5.547 1.00 0.61 C ATOM 3046 CD LYS B 91 1.864 11.620 -6.874 1.00 0.67 C ATOM 3047 CE LYS B 91 1.101 12.612 -7.736 1.00 0.70 C ATOM 3048 NZ LYS B 91 1.959 13.753 -8.160 1.00 1.38 N ATOM 0 H LYS B 91 1.600 11.131 -2.898 1.00 0.54 H new ATOM 0 HA LYS B 91 4.391 11.226 -3.001 1.00 0.61 H new ATOM 0 HB2 LYS B 91 4.126 11.190 -5.328 1.00 0.62 H new ATOM 0 HB3 LYS B 91 2.735 10.327 -4.704 1.00 0.62 H new ATOM 0 HG2 LYS B 91 1.387 12.452 -4.953 1.00 0.61 H new ATOM 0 HG3 LYS B 91 2.777 13.188 -5.725 1.00 0.61 H new ATOM 0 HD2 LYS B 91 2.751 11.279 -7.408 1.00 0.67 H new ATOM 0 HD3 LYS B 91 1.244 10.742 -6.692 1.00 0.67 H new ATOM 0 HE2 LYS B 91 0.712 12.103 -8.618 1.00 0.70 H new ATOM 0 HE3 LYS B 91 0.242 12.990 -7.181 1.00 0.70 H new ATOM 0 HZ1 LYS B 91 1.504 14.255 -8.949 1.00 1.38 H new ATOM 0 HZ2 LYS B 91 2.087 14.407 -7.361 1.00 1.38 H new ATOM 0 HZ3 LYS B 91 2.886 13.395 -8.467 1.00 1.38 H new ATOM 3062 N ALA B 92 2.864 14.108 -3.541 1.00 0.60 N ATOM 3063 CA ALA B 92 3.040 15.557 -3.566 1.00 0.65 C ATOM 3064 C ALA B 92 3.074 16.165 -2.167 1.00 0.63 C ATOM 3065 O ALA B 92 3.678 17.215 -1.964 1.00 0.69 O ATOM 3066 CB ALA B 92 1.946 16.207 -4.399 1.00 0.73 C ATOM 0 H ALA B 92 1.900 13.801 -3.674 1.00 0.60 H new ATOM 0 HA ALA B 92 4.009 15.755 -4.024 1.00 0.65 H new ATOM 0 HB1 ALA B 92 2.090 17.287 -4.409 1.00 0.73 H new ATOM 0 HB2 ALA B 92 1.990 15.826 -5.419 1.00 0.73 H new ATOM 0 HB3 ALA B 92 0.973 15.974 -3.967 1.00 0.73 H new ATOM 3072 N LEU B 93 2.404 15.536 -1.208 1.00 0.62 N ATOM 3073 CA LEU B 93 2.396 16.064 0.151 1.00 0.65 C ATOM 3074 C LEU B 93 3.651 15.672 0.909 1.00 0.59 C ATOM 3075 O LEU B 93 4.108 16.409 1.783 1.00 0.63 O ATOM 3076 CB LEU B 93 1.178 15.606 0.936 1.00 0.74 C ATOM 3077 CG LEU B 93 0.835 16.530 2.103 1.00 0.81 C ATOM 3078 CD1 LEU B 93 -0.152 17.598 1.661 1.00 1.03 C ATOM 3079 CD2 LEU B 93 0.291 15.740 3.284 1.00 0.95 C ATOM 0 H LEU B 93 1.870 14.677 -1.341 1.00 0.62 H new ATOM 0 HA LEU B 93 2.360 17.149 0.052 1.00 0.65 H new ATOM 0 HB2 LEU B 93 0.322 15.546 0.264 1.00 0.74 H new ATOM 0 HB3 LEU B 93 1.356 14.600 1.317 1.00 0.74 H new ATOM 0 HG LEU B 93 1.751 17.023 2.429 1.00 0.81 H new ATOM 0 HD11 LEU B 93 -0.386 18.248 2.504 1.00 1.03 H new ATOM 0 HD12 LEU B 93 0.287 18.189 0.858 1.00 1.03 H new ATOM 0 HD13 LEU B 93 -1.066 17.123 1.304 1.00 1.03 H new ATOM 0 HD21 LEU B 93 0.055 16.422 4.101 1.00 0.95 H new ATOM 0 HD22 LEU B 93 -0.612 15.210 2.982 1.00 0.95 H new ATOM 0 HD23 LEU B 93 1.040 15.021 3.617 1.00 0.95 H new ATOM 3091 N GLY B 94 4.198 14.500 0.584 1.00 0.53 N ATOM 3092 CA GLY B 94 5.405 14.026 1.243 1.00 0.51 C ATOM 3093 C GLY B 94 6.406 15.138 1.465 1.00 0.52 C ATOM 3094 O GLY B 94 7.061 15.212 2.505 1.00 0.57 O ATOM 0 H GLY B 94 3.825 13.870 -0.126 1.00 0.53 H new ATOM 0 HA2 GLY B 94 5.142 13.579 2.202 1.00 0.51 H new ATOM 0 HA3 GLY B 94 5.863 13.242 0.640 1.00 0.51 H new ATOM 3098 N ILE B 95 6.515 15.998 0.463 1.00 0.53 N ATOM 3099 CA ILE B 95 7.437 17.109 0.505 1.00 0.57 C ATOM 3100 C ILE B 95 7.033 18.130 1.536 1.00 0.60 C ATOM 3101 O ILE B 95 6.693 19.259 1.202 1.00 0.67 O ATOM 3102 CB ILE B 95 7.558 17.798 -0.861 1.00 0.63 C ATOM 3103 CG1 ILE B 95 6.184 18.022 -1.483 1.00 1.32 C ATOM 3104 CG2 ILE B 95 8.417 16.965 -1.766 1.00 1.13 C ATOM 3105 CD1 ILE B 95 6.195 18.983 -2.652 1.00 1.68 C ATOM 0 H ILE B 95 5.967 15.941 -0.395 1.00 0.53 H new ATOM 0 HA ILE B 95 8.405 16.691 0.780 1.00 0.57 H new ATOM 0 HB ILE B 95 8.022 18.775 -0.723 1.00 0.63 H new ATOM 0 HG12 ILE B 95 5.785 17.064 -1.816 1.00 1.32 H new ATOM 0 HG13 ILE B 95 5.506 18.402 -0.718 1.00 1.32 H new ATOM 0 HG21 ILE B 95 8.504 17.453 -2.737 1.00 1.13 H new ATOM 0 HG22 ILE B 95 9.408 16.854 -1.326 1.00 1.13 H new ATOM 0 HG23 ILE B 95 7.964 15.982 -1.894 1.00 1.13 H new ATOM 0 HD11 ILE B 95 5.183 19.093 -3.042 1.00 1.68 H new ATOM 0 HD12 ILE B 95 6.563 19.954 -2.321 1.00 1.68 H new ATOM 0 HD13 ILE B 95 6.846 18.596 -3.435 1.00 1.68 H new ATOM 3117 N ARG B 96 7.042 17.725 2.791 1.00 0.64 N ATOM 3118 CA ARG B 96 6.718 18.646 3.856 1.00 0.74 C ATOM 3119 C ARG B 96 7.842 19.668 3.997 1.00 0.82 C ATOM 3120 O ARG B 96 7.677 20.705 4.640 1.00 0.93 O ATOM 3121 CB ARG B 96 6.477 17.898 5.164 1.00 0.84 C ATOM 3122 CG ARG B 96 5.084 17.307 5.253 1.00 1.65 C ATOM 3123 CD ARG B 96 4.057 18.396 5.513 1.00 2.45 C ATOM 3124 NE ARG B 96 4.106 18.878 6.890 1.00 2.91 N ATOM 3125 CZ ARG B 96 3.299 19.820 7.370 1.00 3.85 C ATOM 3126 NH1 ARG B 96 2.386 20.378 6.587 1.00 4.47 N ATOM 3127 NH2 ARG B 96 3.408 20.207 8.634 1.00 4.48 N ATOM 0 H ARG B 96 7.267 16.777 3.093 1.00 0.64 H new ATOM 0 HA ARG B 96 5.795 19.172 3.612 1.00 0.74 H new ATOM 0 HB2 ARG B 96 7.213 17.100 5.262 1.00 0.84 H new ATOM 0 HB3 ARG B 96 6.632 18.579 6.001 1.00 0.84 H new ATOM 0 HG2 ARG B 96 4.844 16.787 4.326 1.00 1.65 H new ATOM 0 HG3 ARG B 96 5.047 16.567 6.052 1.00 1.65 H new ATOM 0 HD2 ARG B 96 4.231 19.229 4.831 1.00 2.45 H new ATOM 0 HD3 ARG B 96 3.060 18.012 5.299 1.00 2.45 H new ATOM 0 HE ARG B 96 4.797 18.470 7.519 1.00 2.91 H new ATOM 0 HH11 ARG B 96 2.301 20.085 5.614 1.00 4.47 H new ATOM 0 HH12 ARG B 96 1.769 21.100 6.958 1.00 4.47 H new ATOM 0 HH21 ARG B 96 4.111 19.782 9.239 1.00 4.48 H new ATOM 0 HH22 ARG B 96 2.789 20.929 9.001 1.00 4.48 H new ATOM 3141 N LYS B 97 8.994 19.363 3.386 1.00 0.82 N ATOM 3142 CA LYS B 97 10.129 20.267 3.404 1.00 0.94 C ATOM 3143 C LYS B 97 10.210 21.009 2.077 1.00 0.93 C ATOM 3144 O LYS B 97 10.945 20.614 1.172 1.00 0.98 O ATOM 3145 CB LYS B 97 11.447 19.521 3.683 1.00 1.07 C ATOM 3146 CG LYS B 97 11.409 18.030 3.371 1.00 1.00 C ATOM 3147 CD LYS B 97 10.675 17.259 4.455 1.00 1.56 C ATOM 3148 CE LYS B 97 10.044 15.992 3.904 1.00 1.83 C ATOM 3149 NZ LYS B 97 9.517 15.114 4.987 1.00 2.90 N ATOM 0 H LYS B 97 9.155 18.495 2.876 1.00 0.82 H new ATOM 0 HA LYS B 97 9.983 20.982 4.214 1.00 0.94 H new ATOM 0 HB2 LYS B 97 12.242 19.982 3.096 1.00 1.07 H new ATOM 0 HB3 LYS B 97 11.709 19.653 4.733 1.00 1.07 H new ATOM 0 HG2 LYS B 97 10.918 17.869 2.411 1.00 1.00 H new ATOM 0 HG3 LYS B 97 12.426 17.650 3.276 1.00 1.00 H new ATOM 0 HD2 LYS B 97 11.370 17.003 5.255 1.00 1.56 H new ATOM 0 HD3 LYS B 97 9.903 17.891 4.893 1.00 1.56 H new ATOM 0 HE2 LYS B 97 9.233 16.256 3.225 1.00 1.83 H new ATOM 0 HE3 LYS B 97 10.783 15.443 3.320 1.00 1.83 H new ATOM 0 HZ1 LYS B 97 9.234 14.198 4.584 1.00 2.90 H new ATOM 0 HZ2 LYS B 97 10.256 14.964 5.703 1.00 2.90 H new ATOM 0 HZ3 LYS B 97 8.692 15.566 5.430 1.00 2.90 H new ATOM 3163 N LYS B 98 9.436 22.084 1.972 1.00 0.96 N ATOM 3164 CA LYS B 98 9.402 22.891 0.759 1.00 1.06 C ATOM 3165 C LYS B 98 10.065 24.245 0.987 1.00 1.21 C ATOM 3166 O LYS B 98 9.356 25.187 1.400 1.00 1.61 O ATOM 3167 CB LYS B 98 7.956 23.089 0.294 1.00 1.07 C ATOM 3168 CG LYS B 98 7.211 21.787 0.040 1.00 1.07 C ATOM 3169 CD LYS B 98 5.961 22.013 -0.794 1.00 1.52 C ATOM 3170 CE LYS B 98 6.313 22.485 -2.194 1.00 2.00 C ATOM 3171 NZ LYS B 98 5.121 22.534 -3.084 1.00 2.73 N ATOM 3172 OXT LYS B 98 11.286 24.353 0.750 1.00 1.70 O ATOM 0 H LYS B 98 8.822 22.417 2.715 1.00 0.96 H new ATOM 0 HA LYS B 98 9.957 22.362 -0.016 1.00 1.06 H new ATOM 0 HB2 LYS B 98 7.417 23.665 1.047 1.00 1.07 H new ATOM 0 HB3 LYS B 98 7.956 23.682 -0.621 1.00 1.07 H new ATOM 0 HG2 LYS B 98 7.869 21.084 -0.472 1.00 1.07 H new ATOM 0 HG3 LYS B 98 6.937 21.332 0.992 1.00 1.07 H new ATOM 0 HD2 LYS B 98 5.388 21.088 -0.853 1.00 1.52 H new ATOM 0 HD3 LYS B 98 5.325 22.752 -0.307 1.00 1.52 H new ATOM 0 HE2 LYS B 98 6.765 23.475 -2.139 1.00 2.00 H new ATOM 0 HE3 LYS B 98 7.059 21.817 -2.624 1.00 2.00 H new ATOM 0 HZ1 LYS B 98 5.407 22.861 -4.029 1.00 2.73 H new ATOM 0 HZ2 LYS B 98 4.704 21.584 -3.158 1.00 2.73 H new ATOM 0 HZ3 LYS B 98 4.419 23.191 -2.688 1.00 2.73 H new TER 3186 LYS B 98