USER MOD reduce.3.24.130724 H: found=0, std=0, add=1083, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1084 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 LYS NZ :NH3+ -161:sc= 0.0726 (180deg=-0.336) USER MOD Set 1.2: A 68 HIS : no HD1:sc= -0.384 K(o=-0.31,f=-2.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.781 (180deg=-0.936) USER MOD Single : A 2 GLN : amide:sc= -1.46 X(o=-1.5,f=-1.9) USER MOD Single : A 7 THR OG1 : rot -85:sc= 1.05 USER MOD Single : A 9 THR OG1 : rot -25:sc= 0.578 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 36:sc= 0.2 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.529 USER MOD Single : A 25 ASN : amide:sc= -0.548 K(o=-0.55,f=-3.1!) USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= -1.89 (180deg=-2.04) USER MOD Single : A 29 LYS NZ :NH3+ -149:sc= 0.481 (180deg=-0.463) USER MOD Single : A 31 GLN : amide:sc= -1.24 K(o=-1.2,f=-1.9) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= -0.0466 (180deg=-0.237) USER MOD Single : A 40 GLN : amide:sc= -0.0625 X(o=-0.062,f=0.12) USER MOD Single : A 41 GLN : amide:sc= -3.59 K(o=-3.6,f=-6!) USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= -0.0095 (180deg=-0.0931) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.215 F(o=-2.6,f=-0.21) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 134:sc= 0.555 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.79 F(o=-3.3!,f=-0.79) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 114:sc= 1.29 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 6 LYS NZ :NH3+ 165:sc= -0.0554 (180deg=-0.311) USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 CYS SG : rot 180:sc= -2.32! USER MOD Single : B 11 THR OG1 : rot 76:sc= -0.281 USER MOD Single : B 15 TYR OH : rot 97:sc= 0.0498 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.17 USER MOD Single : B 18 THR OG1 : rot 11:sc= -0.849 USER MOD Single : B 19 ASN :FLIP amide:sc= -5.11! C(o=-6.3!,f=-5.1!) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0.46 USER MOD Single : B 32 HIS : no HE2:sc= -0.774 K(o=-0.77,f=-2.1!) USER MOD Single : B 35 SER OG : rot -103:sc= 0.0417 USER MOD Single : B 36 LYS NZ :NH3+ 170:sc= -0.772 (180deg=-0.832) USER MOD Single : B 38 THR OG1 : rot -95:sc= 0.725 USER MOD Single : B 45 LYS NZ :NH3+ -146:sc= -0.644 (180deg=-2.41!) USER MOD Single : B 49 ASN :FLIP amide:sc= -0.922 F(o=-2.7!,f=-0.92) USER MOD Single : B 51 LYS NZ :NH3+ -163:sc= -0.0986 (180deg=-0.402) USER MOD Single : B 58 ASN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : B 62 GLN : amide:sc=-0.00278 X(o=-0.0028,f=0) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.008 -20.284 -5.171 1.00 15.13 N ATOM 2 CA MET A 1 -13.689 -19.823 -4.671 1.00 14.88 C ATOM 3 C MET A 1 -13.364 -18.428 -5.201 1.00 13.56 C ATOM 4 O MET A 1 -12.748 -18.278 -6.257 1.00 12.96 O ATOM 5 CB MET A 1 -12.592 -20.812 -5.081 1.00 15.67 C ATOM 6 CG MET A 1 -12.843 -22.233 -4.600 1.00 15.34 C ATOM 7 SD MET A 1 -12.919 -22.357 -2.802 1.00 16.50 S ATOM 8 CE MET A 1 -13.216 -24.111 -2.596 1.00 15.91 C ATOM 0 H1 MET A 1 -15.623 -20.516 -4.365 1.00 15.13 H new ATOM 0 H2 MET A 1 -15.448 -19.530 -5.736 1.00 15.13 H new ATOM 0 H3 MET A 1 -14.879 -21.130 -5.763 1.00 15.13 H new ATOM 0 HA MET A 1 -13.734 -19.774 -3.583 1.00 14.88 H new ATOM 0 HB2 MET A 1 -12.505 -20.815 -6.167 1.00 15.67 H new ATOM 0 HB3 MET A 1 -11.637 -20.467 -4.685 1.00 15.67 H new ATOM 0 HG2 MET A 1 -13.779 -22.596 -5.025 1.00 15.34 H new ATOM 0 HG3 MET A 1 -12.051 -22.883 -4.972 1.00 15.34 H new ATOM 0 HE1 MET A 1 -13.288 -24.346 -1.534 1.00 15.91 H new ATOM 0 HE2 MET A 1 -14.148 -24.383 -3.091 1.00 15.91 H new ATOM 0 HE3 MET A 1 -12.393 -24.674 -3.037 1.00 15.91 H new ATOM 20 N GLN A 2 -13.797 -17.411 -4.460 1.00 13.22 N ATOM 21 CA GLN A 2 -13.560 -16.023 -4.841 1.00 12.04 C ATOM 22 C GLN A 2 -12.184 -15.568 -4.373 1.00 11.88 C ATOM 23 O GLN A 2 -11.676 -16.047 -3.360 1.00 12.64 O ATOM 24 CB GLN A 2 -14.645 -15.122 -4.241 1.00 11.89 C ATOM 25 CG GLN A 2 -14.730 -13.745 -4.885 1.00 10.95 C ATOM 26 CD GLN A 2 -15.267 -13.798 -6.303 1.00 11.15 C ATOM 27 OE1 GLN A 2 -14.508 -13.909 -7.264 1.00 10.74 O ATOM 28 NE2 GLN A 2 -16.586 -13.719 -6.440 1.00 11.94 N ATOM 0 H GLN A 2 -14.316 -17.524 -3.589 1.00 13.22 H new ATOM 0 HA GLN A 2 -13.597 -15.950 -5.928 1.00 12.04 H new ATOM 0 HB2 GLN A 2 -15.611 -15.618 -4.339 1.00 11.89 H new ATOM 0 HB3 GLN A 2 -14.455 -15.002 -3.174 1.00 11.89 H new ATOM 0 HG2 GLN A 2 -15.372 -13.104 -4.281 1.00 10.95 H new ATOM 0 HG3 GLN A 2 -13.740 -13.289 -4.892 1.00 10.95 H new ATOM 0 HE21 GLN A 2 -17.180 -13.628 -5.616 1.00 11.94 H new ATOM 0 HE22 GLN A 2 -17.005 -13.750 -7.369 1.00 11.94 H new ATOM 37 N ILE A 3 -11.585 -14.642 -5.116 1.00 10.95 N ATOM 38 CA ILE A 3 -10.268 -14.119 -4.771 1.00 10.68 C ATOM 39 C ILE A 3 -10.172 -12.638 -5.109 1.00 9.47 C ATOM 40 O ILE A 3 -10.808 -12.161 -6.048 1.00 8.82 O ATOM 41 CB ILE A 3 -9.130 -14.884 -5.485 1.00 10.84 C ATOM 42 CG1 ILE A 3 -9.301 -14.829 -7.005 1.00 10.19 C ATOM 43 CG2 ILE A 3 -9.083 -16.330 -5.005 1.00 12.19 C ATOM 44 CD1 ILE A 3 -8.086 -15.316 -7.768 1.00 10.30 C ATOM 0 H ILE A 3 -11.991 -14.239 -5.960 1.00 10.95 H new ATOM 0 HA ILE A 3 -10.147 -14.259 -3.697 1.00 10.68 H new ATOM 0 HB ILE A 3 -8.185 -14.401 -5.235 1.00 10.84 H new ATOM 0 HG12 ILE A 3 -10.164 -15.432 -7.288 1.00 10.19 H new ATOM 0 HG13 ILE A 3 -9.519 -13.803 -7.301 1.00 10.19 H new ATOM 0 HG21 ILE A 3 -8.277 -16.857 -5.516 1.00 12.19 H new ATOM 0 HG22 ILE A 3 -8.906 -16.351 -3.930 1.00 12.19 H new ATOM 0 HG23 ILE A 3 -10.033 -16.818 -5.226 1.00 12.19 H new ATOM 0 HD11 ILE A 3 -8.278 -15.249 -8.839 1.00 10.30 H new ATOM 0 HD12 ILE A 3 -7.225 -14.698 -7.514 1.00 10.30 H new ATOM 0 HD13 ILE A 3 -7.880 -16.352 -7.501 1.00 10.30 H new ATOM 56 N PHE A 4 -9.371 -11.921 -4.333 1.00 9.25 N ATOM 57 CA PHE A 4 -9.183 -10.491 -4.531 1.00 8.23 C ATOM 58 C PHE A 4 -7.859 -10.220 -5.226 1.00 7.51 C ATOM 59 O PHE A 4 -6.840 -10.822 -4.890 1.00 7.97 O ATOM 60 CB PHE A 4 -9.232 -9.757 -3.189 1.00 8.76 C ATOM 61 CG PHE A 4 -10.522 -9.957 -2.444 1.00 9.63 C ATOM 62 CD1 PHE A 4 -11.632 -9.179 -2.732 1.00 9.35 C ATOM 63 CD2 PHE A 4 -10.624 -10.926 -1.457 1.00 10.81 C ATOM 64 CE1 PHE A 4 -12.819 -9.362 -2.051 1.00 10.22 C ATOM 65 CE2 PHE A 4 -11.810 -11.113 -0.771 1.00 11.64 C ATOM 66 CZ PHE A 4 -12.909 -10.330 -1.069 1.00 11.33 C ATOM 0 H PHE A 4 -8.838 -12.310 -3.555 1.00 9.25 H new ATOM 0 HA PHE A 4 -9.991 -10.122 -5.163 1.00 8.23 H new ATOM 0 HB2 PHE A 4 -8.405 -10.099 -2.566 1.00 8.76 H new ATOM 0 HB3 PHE A 4 -9.082 -8.691 -3.361 1.00 8.76 H new ATOM 0 HD1 PHE A 4 -11.568 -8.421 -3.498 1.00 9.35 H new ATOM 0 HD2 PHE A 4 -9.768 -11.541 -1.222 1.00 10.81 H new ATOM 0 HE1 PHE A 4 -13.677 -8.749 -2.286 1.00 10.22 H new ATOM 0 HE2 PHE A 4 -11.877 -11.870 -0.003 1.00 11.64 H new ATOM 0 HZ PHE A 4 -13.837 -10.474 -0.535 1.00 11.33 H new ATOM 76 N VAL A 5 -7.883 -9.322 -6.203 1.00 6.47 N ATOM 77 CA VAL A 5 -6.683 -8.958 -6.942 1.00 5.80 C ATOM 78 C VAL A 5 -6.429 -7.465 -6.798 1.00 4.97 C ATOM 79 O VAL A 5 -7.004 -6.649 -7.522 1.00 4.55 O ATOM 80 CB VAL A 5 -6.792 -9.326 -8.436 1.00 5.60 C ATOM 81 CG1 VAL A 5 -5.482 -9.040 -9.158 1.00 5.38 C ATOM 82 CG2 VAL A 5 -7.192 -10.788 -8.599 1.00 6.66 C ATOM 0 H VAL A 5 -8.725 -8.831 -6.502 1.00 6.47 H new ATOM 0 HA VAL A 5 -5.850 -9.522 -6.523 1.00 5.80 H new ATOM 0 HB VAL A 5 -7.568 -8.707 -8.886 1.00 5.60 H new ATOM 0 HG11 VAL A 5 -5.581 -9.307 -10.210 1.00 5.38 H new ATOM 0 HG12 VAL A 5 -5.244 -7.980 -9.073 1.00 5.38 H new ATOM 0 HG13 VAL A 5 -4.683 -9.629 -8.708 1.00 5.38 H new ATOM 0 HG21 VAL A 5 -7.264 -11.029 -9.659 1.00 6.66 H new ATOM 0 HG22 VAL A 5 -6.441 -11.425 -8.132 1.00 6.66 H new ATOM 0 HG23 VAL A 5 -8.158 -10.956 -8.122 1.00 6.66 H new ATOM 92 N LYS A 6 -5.569 -7.117 -5.849 1.00 4.99 N ATOM 93 CA LYS A 6 -5.246 -5.725 -5.573 1.00 4.54 C ATOM 94 C LYS A 6 -4.282 -5.159 -6.608 1.00 3.66 C ATOM 95 O LYS A 6 -3.632 -5.901 -7.346 1.00 3.73 O ATOM 96 CB LYS A 6 -4.640 -5.606 -4.168 1.00 5.41 C ATOM 97 CG LYS A 6 -4.050 -4.236 -3.858 1.00 5.62 C ATOM 98 CD LYS A 6 -3.502 -4.170 -2.440 1.00 6.25 C ATOM 99 CE LYS A 6 -2.784 -2.855 -2.178 1.00 6.57 C ATOM 100 NZ LYS A 6 -1.583 -2.696 -3.045 1.00 6.86 N ATOM 0 H LYS A 6 -5.080 -7.786 -5.254 1.00 4.99 H new ATOM 0 HA LYS A 6 -6.167 -5.145 -5.626 1.00 4.54 H new ATOM 0 HB2 LYS A 6 -5.411 -5.833 -3.431 1.00 5.41 H new ATOM 0 HB3 LYS A 6 -3.860 -6.359 -4.056 1.00 5.41 H new ATOM 0 HG2 LYS A 6 -3.253 -4.013 -4.567 1.00 5.62 H new ATOM 0 HG3 LYS A 6 -4.816 -3.471 -3.989 1.00 5.62 H new ATOM 0 HD2 LYS A 6 -4.319 -4.287 -1.728 1.00 6.25 H new ATOM 0 HD3 LYS A 6 -2.814 -5.000 -2.276 1.00 6.25 H new ATOM 0 HE2 LYS A 6 -3.470 -2.026 -2.352 1.00 6.57 H new ATOM 0 HE3 LYS A 6 -2.485 -2.807 -1.131 1.00 6.57 H new ATOM 0 HZ1 LYS A 6 -0.952 -1.977 -2.636 1.00 6.86 H new ATOM 0 HZ2 LYS A 6 -1.079 -3.603 -3.109 1.00 6.86 H new ATOM 0 HZ3 LYS A 6 -1.879 -2.396 -3.996 1.00 6.86 H new ATOM 114 N THR A 7 -4.205 -3.836 -6.652 1.00 3.27 N ATOM 115 CA THR A 7 -3.323 -3.135 -7.572 1.00 2.97 C ATOM 116 C THR A 7 -2.723 -1.910 -6.894 1.00 3.21 C ATOM 117 O THR A 7 -3.242 -1.434 -5.884 1.00 3.79 O ATOM 118 CB THR A 7 -4.065 -2.695 -8.848 1.00 3.37 C ATOM 119 OG1 THR A 7 -5.194 -1.887 -8.503 1.00 3.78 O ATOM 120 CG2 THR A 7 -4.527 -3.901 -9.655 1.00 3.68 C ATOM 0 H THR A 7 -4.752 -3.220 -6.051 1.00 3.27 H new ATOM 0 HA THR A 7 -2.531 -3.828 -7.856 1.00 2.97 H new ATOM 0 HB THR A 7 -3.374 -2.115 -9.459 1.00 3.37 H new ATOM 0 HG1 THR A 7 -5.958 -2.464 -8.296 1.00 3.78 H new ATOM 0 HG21 THR A 7 -5.048 -3.562 -10.550 1.00 3.68 H new ATOM 0 HG22 THR A 7 -3.662 -4.499 -9.943 1.00 3.68 H new ATOM 0 HG23 THR A 7 -5.202 -4.507 -9.050 1.00 3.68 H new ATOM 128 N LEU A 8 -1.629 -1.406 -7.451 1.00 3.26 N ATOM 129 CA LEU A 8 -0.956 -0.237 -6.897 1.00 3.74 C ATOM 130 C LEU A 8 -1.850 1.002 -6.971 1.00 4.78 C ATOM 131 O LEU A 8 -1.664 1.956 -6.216 1.00 5.48 O ATOM 132 CB LEU A 8 0.358 0.019 -7.643 1.00 3.85 C ATOM 133 CG LEU A 8 0.212 0.567 -9.070 1.00 3.89 C ATOM 134 CD1 LEU A 8 1.576 0.927 -9.643 1.00 4.36 C ATOM 135 CD2 LEU A 8 -0.493 -0.441 -9.969 1.00 4.09 C ATOM 0 H LEU A 8 -1.188 -1.789 -8.287 1.00 3.26 H new ATOM 0 HA LEU A 8 -0.740 -0.438 -5.848 1.00 3.74 H new ATOM 0 HB2 LEU A 8 0.955 0.722 -7.062 1.00 3.85 H new ATOM 0 HB3 LEU A 8 0.919 -0.915 -7.687 1.00 3.85 H new ATOM 0 HG LEU A 8 -0.398 1.470 -9.027 1.00 3.89 H new ATOM 0 HD11 LEU A 8 1.455 1.314 -10.655 1.00 4.36 H new ATOM 0 HD12 LEU A 8 2.044 1.687 -9.018 1.00 4.36 H new ATOM 0 HD13 LEU A 8 2.207 0.038 -9.667 1.00 4.36 H new ATOM 0 HD21 LEU A 8 -0.585 -0.030 -10.974 1.00 4.09 H new ATOM 0 HD22 LEU A 8 0.086 -1.364 -10.005 1.00 4.09 H new ATOM 0 HD23 LEU A 8 -1.486 -0.651 -9.571 1.00 4.09 H new ATOM 147 N THR A 9 -2.818 0.977 -7.887 1.00 5.08 N ATOM 148 CA THR A 9 -3.738 2.098 -8.065 1.00 6.24 C ATOM 149 C THR A 9 -4.876 2.061 -7.043 1.00 6.58 C ATOM 150 O THR A 9 -5.613 3.036 -6.891 1.00 7.61 O ATOM 151 CB THR A 9 -4.333 2.118 -9.488 1.00 6.63 C ATOM 152 OG1 THR A 9 -5.246 3.215 -9.624 1.00 5.90 O ATOM 153 CG2 THR A 9 -5.053 0.814 -9.802 1.00 7.65 C ATOM 0 H THR A 9 -2.985 0.192 -8.517 1.00 5.08 H new ATOM 0 HA THR A 9 -3.155 3.006 -7.910 1.00 6.24 H new ATOM 0 HB THR A 9 -3.511 2.237 -10.194 1.00 6.63 H new ATOM 0 HG1 THR A 9 -5.601 3.456 -8.743 1.00 5.90 H new ATOM 0 HG21 THR A 9 -5.462 0.858 -10.812 1.00 7.65 H new ATOM 0 HG22 THR A 9 -4.350 -0.016 -9.731 1.00 7.65 H new ATOM 0 HG23 THR A 9 -5.864 0.665 -9.089 1.00 7.65 H new ATOM 161 N GLY A 10 -5.011 0.933 -6.347 1.00 5.95 N ATOM 162 CA GLY A 10 -6.061 0.792 -5.349 1.00 6.60 C ATOM 163 C GLY A 10 -7.308 0.132 -5.906 1.00 6.46 C ATOM 164 O GLY A 10 -8.379 0.206 -5.303 1.00 7.08 O ATOM 0 H GLY A 10 -4.412 0.114 -6.456 1.00 5.95 H new ATOM 0 HA2 GLY A 10 -5.685 0.203 -4.512 1.00 6.60 H new ATOM 0 HA3 GLY A 10 -6.319 1.776 -4.957 1.00 6.60 H new ATOM 168 N LYS A 11 -7.163 -0.518 -7.059 1.00 5.81 N ATOM 169 CA LYS A 11 -8.282 -1.192 -7.709 1.00 5.70 C ATOM 170 C LYS A 11 -8.288 -2.686 -7.397 1.00 5.01 C ATOM 171 O LYS A 11 -7.443 -3.438 -7.886 1.00 4.26 O ATOM 172 CB LYS A 11 -8.220 -0.974 -9.224 1.00 5.63 C ATOM 173 CG LYS A 11 -9.345 -1.652 -9.993 1.00 5.81 C ATOM 174 CD LYS A 11 -10.712 -1.145 -9.555 1.00 6.13 C ATOM 175 CE LYS A 11 -11.829 -1.763 -10.381 1.00 6.58 C ATOM 176 NZ LYS A 11 -13.169 -1.270 -9.959 1.00 6.35 N ATOM 0 H LYS A 11 -6.279 -0.591 -7.562 1.00 5.81 H new ATOM 0 HA LYS A 11 -9.205 -0.762 -7.320 1.00 5.70 H new ATOM 0 HB2 LYS A 11 -8.248 0.096 -9.428 1.00 5.63 H new ATOM 0 HB3 LYS A 11 -7.265 -1.345 -9.595 1.00 5.63 H new ATOM 0 HG2 LYS A 11 -9.215 -1.473 -11.060 1.00 5.81 H new ATOM 0 HG3 LYS A 11 -9.291 -2.730 -9.842 1.00 5.81 H new ATOM 0 HD2 LYS A 11 -10.866 -1.377 -8.501 1.00 6.13 H new ATOM 0 HD3 LYS A 11 -10.746 -0.060 -9.650 1.00 6.13 H new ATOM 0 HE2 LYS A 11 -11.672 -1.532 -11.435 1.00 6.58 H new ATOM 0 HE3 LYS A 11 -11.794 -2.848 -10.284 1.00 6.58 H new ATOM 0 HZ1 LYS A 11 -13.903 -1.715 -10.546 1.00 6.35 H new ATOM 0 HZ2 LYS A 11 -13.330 -1.513 -8.961 1.00 6.35 H new ATOM 0 HZ3 LYS A 11 -13.211 -0.237 -10.075 1.00 6.35 H new ATOM 190 N THR A 12 -9.247 -3.104 -6.574 1.00 5.57 N ATOM 191 CA THR A 12 -9.386 -4.507 -6.200 1.00 5.50 C ATOM 192 C THR A 12 -10.487 -5.166 -7.023 1.00 5.42 C ATOM 193 O THR A 12 -11.618 -4.678 -7.063 1.00 6.02 O ATOM 194 CB THR A 12 -9.713 -4.665 -4.702 1.00 6.58 C ATOM 195 OG1 THR A 12 -10.903 -3.933 -4.379 1.00 6.95 O ATOM 196 CG2 THR A 12 -8.560 -4.174 -3.839 1.00 6.85 C ATOM 0 H THR A 12 -9.941 -2.487 -6.153 1.00 5.57 H new ATOM 0 HA THR A 12 -8.431 -4.993 -6.400 1.00 5.50 H new ATOM 0 HB THR A 12 -9.872 -5.724 -4.499 1.00 6.58 H new ATOM 0 HG1 THR A 12 -11.531 -3.982 -5.130 1.00 6.95 H new ATOM 0 HG21 THR A 12 -8.816 -4.296 -2.786 1.00 6.85 H new ATOM 0 HG22 THR A 12 -7.664 -4.753 -4.065 1.00 6.85 H new ATOM 0 HG23 THR A 12 -8.373 -3.121 -4.047 1.00 6.85 H new ATOM 204 N ILE A 13 -10.154 -6.272 -7.684 1.00 4.88 N ATOM 205 CA ILE A 13 -11.120 -6.991 -8.510 1.00 5.00 C ATOM 206 C ILE A 13 -11.298 -8.427 -8.029 1.00 5.65 C ATOM 207 O ILE A 13 -10.356 -9.052 -7.540 1.00 5.97 O ATOM 208 CB ILE A 13 -10.710 -6.996 -9.998 1.00 4.65 C ATOM 209 CG1 ILE A 13 -9.351 -7.676 -10.180 1.00 4.64 C ATOM 210 CG2 ILE A 13 -10.679 -5.575 -10.544 1.00 4.57 C ATOM 211 CD1 ILE A 13 -8.910 -7.777 -11.624 1.00 5.04 C ATOM 0 H ILE A 13 -9.224 -6.689 -7.664 1.00 4.88 H new ATOM 0 HA ILE A 13 -12.068 -6.462 -8.413 1.00 5.00 H new ATOM 0 HB ILE A 13 -11.452 -7.564 -10.560 1.00 4.65 H new ATOM 0 HG12 ILE A 13 -8.599 -7.122 -9.618 1.00 4.64 H new ATOM 0 HG13 ILE A 13 -9.395 -8.677 -9.752 1.00 4.64 H new ATOM 0 HG21 ILE A 13 -10.388 -5.595 -11.594 1.00 4.57 H new ATOM 0 HG22 ILE A 13 -11.668 -5.127 -10.450 1.00 4.57 H new ATOM 0 HG23 ILE A 13 -9.958 -4.984 -9.979 1.00 4.57 H new ATOM 0 HD11 ILE A 13 -7.939 -8.270 -11.674 1.00 5.04 H new ATOM 0 HD12 ILE A 13 -9.641 -8.357 -12.188 1.00 5.04 H new ATOM 0 HD13 ILE A 13 -8.832 -6.777 -12.051 1.00 5.04 H new ATOM 223 N THR A 14 -12.514 -8.940 -8.174 1.00 6.06 N ATOM 224 CA THR A 14 -12.833 -10.299 -7.753 1.00 6.90 C ATOM 225 C THR A 14 -12.763 -11.270 -8.929 1.00 7.04 C ATOM 226 O THR A 14 -13.179 -10.941 -10.040 1.00 6.70 O ATOM 227 CB THR A 14 -14.236 -10.377 -7.121 1.00 7.48 C ATOM 228 OG1 THR A 14 -15.223 -9.924 -8.057 1.00 7.14 O ATOM 229 CG2 THR A 14 -14.309 -9.536 -5.855 1.00 8.28 C ATOM 0 H THR A 14 -13.299 -8.432 -8.582 1.00 6.06 H new ATOM 0 HA THR A 14 -12.090 -10.581 -7.007 1.00 6.90 H new ATOM 0 HB THR A 14 -14.433 -11.417 -6.860 1.00 7.48 H new ATOM 0 HG1 THR A 14 -16.112 -9.979 -7.647 1.00 7.14 H new ATOM 0 HG21 THR A 14 -15.309 -9.608 -5.428 1.00 8.28 H new ATOM 0 HG22 THR A 14 -13.579 -9.901 -5.133 1.00 8.28 H new ATOM 0 HG23 THR A 14 -14.091 -8.496 -6.096 1.00 8.28 H new ATOM 237 N LEU A 15 -12.233 -12.466 -8.675 1.00 7.82 N ATOM 238 CA LEU A 15 -12.111 -13.493 -9.708 1.00 8.34 C ATOM 239 C LEU A 15 -12.482 -14.863 -9.139 1.00 9.47 C ATOM 240 O LEU A 15 -12.283 -15.122 -7.952 1.00 10.02 O ATOM 241 CB LEU A 15 -10.687 -13.519 -10.271 1.00 8.35 C ATOM 242 CG LEU A 15 -10.426 -14.591 -11.334 1.00 8.95 C ATOM 243 CD1 LEU A 15 -11.337 -14.391 -12.537 1.00 8.50 C ATOM 244 CD2 LEU A 15 -8.965 -14.572 -11.763 1.00 9.28 C ATOM 0 H LEU A 15 -11.881 -12.748 -7.760 1.00 7.82 H new ATOM 0 HA LEU A 15 -12.799 -13.253 -10.519 1.00 8.34 H new ATOM 0 HB2 LEU A 15 -10.465 -12.542 -10.701 1.00 8.35 H new ATOM 0 HB3 LEU A 15 -9.990 -13.670 -9.447 1.00 8.35 H new ATOM 0 HG LEU A 15 -10.646 -15.565 -10.897 1.00 8.95 H new ATOM 0 HD11 LEU A 15 -11.134 -15.163 -13.279 1.00 8.50 H new ATOM 0 HD12 LEU A 15 -12.378 -14.456 -12.220 1.00 8.50 H new ATOM 0 HD13 LEU A 15 -11.152 -13.410 -12.974 1.00 8.50 H new ATOM 0 HD21 LEU A 15 -8.798 -15.340 -12.518 1.00 9.28 H new ATOM 0 HD22 LEU A 15 -8.721 -13.595 -12.179 1.00 9.28 H new ATOM 0 HD23 LEU A 15 -8.330 -14.768 -10.899 1.00 9.28 H new ATOM 256 N GLU A 16 -13.016 -15.736 -9.992 1.00 9.94 N ATOM 257 CA GLU A 16 -13.426 -17.073 -9.564 1.00 11.04 C ATOM 258 C GLU A 16 -12.504 -18.160 -10.126 1.00 11.87 C ATOM 259 O GLU A 16 -12.592 -18.511 -11.303 1.00 12.00 O ATOM 260 CB GLU A 16 -14.872 -17.341 -9.993 1.00 11.14 C ATOM 261 CG GLU A 16 -15.355 -18.747 -9.675 1.00 10.90 C ATOM 262 CD GLU A 16 -15.040 -19.163 -8.251 1.00 11.52 C ATOM 263 OE1 GLU A 16 -15.727 -18.683 -7.326 1.00 12.19 O ATOM 264 OE2 GLU A 16 -14.102 -19.968 -8.060 1.00 11.47 O ATOM 0 H GLU A 16 -13.175 -15.542 -10.981 1.00 9.94 H new ATOM 0 HA GLU A 16 -13.354 -17.107 -8.477 1.00 11.04 H new ATOM 0 HB2 GLU A 16 -15.527 -16.622 -9.501 1.00 11.14 H new ATOM 0 HB3 GLU A 16 -14.961 -17.170 -11.066 1.00 11.14 H new ATOM 0 HG2 GLU A 16 -16.432 -18.803 -9.836 1.00 10.90 H new ATOM 0 HG3 GLU A 16 -14.892 -19.451 -10.366 1.00 10.90 H new ATOM 271 N VAL A 17 -11.622 -18.688 -9.271 1.00 12.56 N ATOM 272 CA VAL A 17 -10.688 -19.745 -9.673 1.00 13.49 C ATOM 273 C VAL A 17 -10.264 -20.607 -8.480 1.00 14.65 C ATOM 274 O VAL A 17 -9.577 -20.130 -7.576 1.00 14.73 O ATOM 275 CB VAL A 17 -9.417 -19.168 -10.340 1.00 13.20 C ATOM 276 CG1 VAL A 17 -9.697 -18.763 -11.779 1.00 12.43 C ATOM 277 CG2 VAL A 17 -8.877 -17.984 -9.547 1.00 12.71 C ATOM 0 H VAL A 17 -11.535 -18.401 -8.296 1.00 12.56 H new ATOM 0 HA VAL A 17 -11.224 -20.361 -10.395 1.00 13.49 H new ATOM 0 HB VAL A 17 -8.657 -19.950 -10.346 1.00 13.20 H new ATOM 0 HG11 VAL A 17 -8.789 -18.360 -12.227 1.00 12.43 H new ATOM 0 HG12 VAL A 17 -10.025 -19.635 -12.345 1.00 12.43 H new ATOM 0 HG13 VAL A 17 -10.478 -18.003 -11.798 1.00 12.43 H new ATOM 0 HG21 VAL A 17 -7.983 -17.596 -10.036 1.00 12.71 H new ATOM 0 HG22 VAL A 17 -9.634 -17.201 -9.501 1.00 12.71 H new ATOM 0 HG23 VAL A 17 -8.626 -18.307 -8.536 1.00 12.71 H new ATOM 287 N GLU A 18 -10.683 -21.877 -8.474 1.00 15.63 N ATOM 288 CA GLU A 18 -10.348 -22.812 -7.394 1.00 16.83 C ATOM 289 C GLU A 18 -8.839 -23.087 -7.294 1.00 17.34 C ATOM 290 O GLU A 18 -8.061 -22.649 -8.141 1.00 16.99 O ATOM 291 CB GLU A 18 -11.109 -24.123 -7.618 1.00 17.72 C ATOM 292 CG GLU A 18 -12.589 -23.926 -7.913 1.00 17.49 C ATOM 293 CD GLU A 18 -13.337 -25.240 -8.036 1.00 17.64 C ATOM 294 OE1 GLU A 18 -13.838 -25.737 -7.005 1.00 18.57 O ATOM 295 OE2 GLU A 18 -13.421 -25.772 -9.163 1.00 16.92 O ATOM 0 H GLU A 18 -11.259 -22.283 -9.211 1.00 15.63 H new ATOM 0 HA GLU A 18 -10.644 -22.353 -6.451 1.00 16.83 H new ATOM 0 HB2 GLU A 18 -10.651 -24.662 -8.447 1.00 17.72 H new ATOM 0 HB3 GLU A 18 -11.004 -24.750 -6.733 1.00 17.72 H new ATOM 0 HG2 GLU A 18 -13.038 -23.329 -7.119 1.00 17.49 H new ATOM 0 HG3 GLU A 18 -12.700 -23.361 -8.838 1.00 17.49 H new ATOM 302 N PRO A 19 -8.417 -23.829 -6.239 1.00 18.22 N ATOM 303 CA PRO A 19 -7.001 -24.168 -6.001 1.00 18.80 C ATOM 304 C PRO A 19 -6.346 -24.925 -7.158 1.00 19.40 C ATOM 305 O PRO A 19 -5.205 -24.643 -7.525 1.00 19.49 O ATOM 306 CB PRO A 19 -7.045 -25.049 -4.748 1.00 19.89 C ATOM 307 CG PRO A 19 -8.316 -24.676 -4.072 1.00 19.55 C ATOM 308 CD PRO A 19 -9.283 -24.385 -5.181 1.00 18.79 C ATOM 0 HA PRO A 19 -6.399 -23.266 -5.894 1.00 18.80 H new ATOM 0 HB2 PRO A 19 -7.030 -26.108 -5.007 1.00 19.89 H new ATOM 0 HB3 PRO A 19 -6.185 -24.866 -4.104 1.00 19.89 H new ATOM 0 HG2 PRO A 19 -8.677 -25.486 -3.438 1.00 19.55 H new ATOM 0 HG3 PRO A 19 -8.180 -23.805 -3.430 1.00 19.55 H new ATOM 0 HD2 PRO A 19 -9.799 -25.286 -5.514 1.00 18.79 H new ATOM 0 HD3 PRO A 19 -10.050 -23.674 -4.872 1.00 18.79 H new ATOM 316 N SER A 20 -7.071 -25.886 -7.725 1.00 19.87 N ATOM 317 CA SER A 20 -6.555 -26.697 -8.829 1.00 20.59 C ATOM 318 C SER A 20 -6.198 -25.846 -10.048 1.00 19.81 C ATOM 319 O SER A 20 -5.371 -26.247 -10.870 1.00 20.40 O ATOM 320 CB SER A 20 -7.583 -27.760 -9.223 1.00 21.46 C ATOM 321 OG SER A 20 -7.907 -28.589 -8.120 1.00 21.29 O ATOM 0 H SER A 20 -8.021 -26.124 -7.438 1.00 19.87 H new ATOM 0 HA SER A 20 -5.641 -27.178 -8.481 1.00 20.59 H new ATOM 0 HB2 SER A 20 -8.486 -27.277 -9.596 1.00 21.46 H new ATOM 0 HB3 SER A 20 -7.188 -28.369 -10.036 1.00 21.46 H new ATOM 0 HG SER A 20 -8.567 -29.259 -8.397 1.00 21.29 H new ATOM 327 N ASP A 21 -6.818 -24.673 -10.162 1.00 18.56 N ATOM 328 CA ASP A 21 -6.564 -23.775 -11.290 1.00 17.80 C ATOM 329 C ASP A 21 -5.090 -23.374 -11.359 1.00 17.76 C ATOM 330 O ASP A 21 -4.414 -23.276 -10.335 1.00 17.65 O ATOM 331 CB ASP A 21 -7.444 -22.527 -11.181 1.00 16.48 C ATOM 332 CG ASP A 21 -7.298 -21.607 -12.379 1.00 16.21 C ATOM 333 OD1 ASP A 21 -7.949 -21.867 -13.413 1.00 16.77 O ATOM 334 OD2 ASP A 21 -6.534 -20.624 -12.283 1.00 15.53 O ATOM 0 H ASP A 21 -7.499 -24.321 -9.489 1.00 18.56 H new ATOM 0 HA ASP A 21 -6.812 -24.309 -12.207 1.00 17.80 H new ATOM 0 HB2 ASP A 21 -8.487 -22.829 -11.084 1.00 16.48 H new ATOM 0 HB3 ASP A 21 -7.184 -21.981 -10.274 1.00 16.48 H new ATOM 339 N THR A 22 -4.600 -23.146 -12.579 1.00 17.95 N ATOM 340 CA THR A 22 -3.208 -22.754 -12.793 1.00 18.00 C ATOM 341 C THR A 22 -3.064 -21.237 -12.833 1.00 16.68 C ATOM 342 O THR A 22 -3.951 -20.533 -13.317 1.00 15.89 O ATOM 343 CB THR A 22 -2.650 -23.338 -14.105 1.00 18.92 C ATOM 344 OG1 THR A 22 -3.413 -22.858 -15.217 1.00 19.12 O ATOM 345 CG2 THR A 22 -2.680 -24.859 -14.084 1.00 20.15 C ATOM 0 H THR A 22 -5.149 -23.227 -13.435 1.00 17.95 H new ATOM 0 HA THR A 22 -2.639 -23.153 -11.953 1.00 18.00 H new ATOM 0 HB THR A 22 -1.614 -23.015 -14.205 1.00 18.92 H new ATOM 0 HG1 THR A 22 -3.052 -23.232 -16.048 1.00 19.12 H new ATOM 0 HG21 THR A 22 -2.281 -25.244 -15.022 1.00 20.15 H new ATOM 0 HG22 THR A 22 -2.074 -25.223 -13.255 1.00 20.15 H new ATOM 0 HG23 THR A 22 -3.707 -25.201 -13.960 1.00 20.15 H new ATOM 353 N ILE A 23 -1.936 -20.741 -12.331 1.00 16.47 N ATOM 354 CA ILE A 23 -1.664 -19.307 -12.305 1.00 15.26 C ATOM 355 C ILE A 23 -1.762 -18.700 -13.705 1.00 15.04 C ATOM 356 O ILE A 23 -2.190 -17.557 -13.863 1.00 14.00 O ATOM 357 CB ILE A 23 -0.273 -19.011 -11.693 1.00 15.26 C ATOM 358 CG1 ILE A 23 -0.335 -19.053 -10.158 1.00 15.58 C ATOM 359 CG2 ILE A 23 0.250 -17.657 -12.157 1.00 14.03 C ATOM 360 CD1 ILE A 23 -1.156 -20.194 -9.594 1.00 14.76 C ATOM 0 H ILE A 23 -1.192 -21.315 -11.935 1.00 16.47 H new ATOM 0 HA ILE A 23 -2.424 -18.845 -11.674 1.00 15.26 H new ATOM 0 HB ILE A 23 0.414 -19.784 -12.038 1.00 15.26 H new ATOM 0 HG12 ILE A 23 0.680 -19.125 -9.768 1.00 15.58 H new ATOM 0 HG13 ILE A 23 -0.749 -18.111 -9.798 1.00 15.58 H new ATOM 0 HG21 ILE A 23 1.228 -17.473 -11.713 1.00 14.03 H new ATOM 0 HG22 ILE A 23 0.338 -17.654 -13.243 1.00 14.03 H new ATOM 0 HG23 ILE A 23 -0.442 -16.874 -11.847 1.00 14.03 H new ATOM 0 HD11 ILE A 23 -1.145 -20.147 -8.505 1.00 14.76 H new ATOM 0 HD12 ILE A 23 -2.183 -20.114 -9.950 1.00 14.76 H new ATOM 0 HD13 ILE A 23 -0.732 -21.144 -9.920 1.00 14.76 H new ATOM 372 N GLU A 24 -1.365 -19.470 -14.715 1.00 16.12 N ATOM 373 CA GLU A 24 -1.427 -19.001 -16.097 1.00 16.23 C ATOM 374 C GLU A 24 -2.873 -18.718 -16.484 1.00 15.75 C ATOM 375 O GLU A 24 -3.167 -17.727 -17.153 1.00 15.19 O ATOM 376 CB GLU A 24 -0.818 -20.040 -17.043 1.00 17.64 C ATOM 377 CG GLU A 24 -0.723 -19.569 -18.488 1.00 17.99 C ATOM 378 CD GLU A 24 0.127 -18.322 -18.641 1.00 19.37 C ATOM 379 OE1 GLU A 24 -0.421 -17.207 -18.505 1.00 19.99 O ATOM 380 OE2 GLU A 24 1.343 -18.458 -18.897 1.00 19.87 O ATOM 0 H GLU A 24 -0.999 -20.416 -14.604 1.00 16.12 H new ATOM 0 HA GLU A 24 -0.851 -18.080 -16.181 1.00 16.23 H new ATOM 0 HB2 GLU A 24 0.179 -20.301 -16.689 1.00 17.64 H new ATOM 0 HB3 GLU A 24 -1.418 -20.949 -17.005 1.00 17.64 H new ATOM 0 HG2 GLU A 24 -0.303 -20.368 -19.100 1.00 17.99 H new ATOM 0 HG3 GLU A 24 -1.725 -19.370 -18.868 1.00 17.99 H new ATOM 387 N ASN A 25 -3.774 -19.603 -16.053 1.00 16.04 N ATOM 388 CA ASN A 25 -5.196 -19.446 -16.332 1.00 15.65 C ATOM 389 C ASN A 25 -5.737 -18.217 -15.611 1.00 14.26 C ATOM 390 O ASN A 25 -6.581 -17.496 -16.143 1.00 13.66 O ATOM 391 CB ASN A 25 -5.971 -20.696 -15.900 1.00 16.38 C ATOM 392 CG ASN A 25 -5.695 -21.891 -16.793 1.00 16.31 C ATOM 393 OD1 ASN A 25 -4.627 -21.999 -17.395 1.00 16.31 O ATOM 394 ND2 ASN A 25 -6.660 -22.798 -16.881 1.00 16.35 N ATOM 0 H ASN A 25 -3.541 -20.434 -15.510 1.00 16.04 H new ATOM 0 HA ASN A 25 -5.327 -19.313 -17.406 1.00 15.65 H new ATOM 0 HB2 ASN A 25 -5.706 -20.946 -14.873 1.00 16.38 H new ATOM 0 HB3 ASN A 25 -7.039 -20.478 -15.910 1.00 16.38 H new ATOM 0 HD21 ASN A 25 -6.532 -23.624 -17.465 1.00 16.35 H new ATOM 0 HD22 ASN A 25 -7.530 -22.669 -16.365 1.00 16.35 H new ATOM 401 N VAL A 26 -5.241 -17.983 -14.394 1.00 13.80 N ATOM 402 CA VAL A 26 -5.661 -16.830 -13.607 1.00 12.52 C ATOM 403 C VAL A 26 -5.394 -15.544 -14.381 1.00 11.74 C ATOM 404 O VAL A 26 -6.277 -14.700 -14.527 1.00 10.85 O ATOM 405 CB VAL A 26 -4.928 -16.760 -12.249 1.00 12.37 C ATOM 406 CG1 VAL A 26 -5.385 -15.547 -11.448 1.00 11.07 C ATOM 407 CG2 VAL A 26 -5.143 -18.039 -11.453 1.00 13.28 C ATOM 0 H VAL A 26 -4.550 -18.577 -13.936 1.00 13.80 H new ATOM 0 HA VAL A 26 -6.728 -16.941 -13.415 1.00 12.52 H new ATOM 0 HB VAL A 26 -3.861 -16.655 -12.447 1.00 12.37 H new ATOM 0 HG11 VAL A 26 -4.855 -15.519 -10.496 1.00 11.07 H new ATOM 0 HG12 VAL A 26 -5.170 -14.638 -12.010 1.00 11.07 H new ATOM 0 HG13 VAL A 26 -6.457 -15.615 -11.265 1.00 11.07 H new ATOM 0 HG21 VAL A 26 -4.618 -17.967 -10.501 1.00 13.28 H new ATOM 0 HG22 VAL A 26 -6.208 -18.179 -11.270 1.00 13.28 H new ATOM 0 HG23 VAL A 26 -4.757 -18.888 -12.017 1.00 13.28 H new ATOM 417 N LYS A 27 -4.166 -15.411 -14.883 1.00 12.21 N ATOM 418 CA LYS A 27 -3.775 -14.239 -15.657 1.00 11.77 C ATOM 419 C LYS A 27 -4.671 -14.080 -16.881 1.00 11.96 C ATOM 420 O LYS A 27 -4.982 -12.963 -17.295 1.00 11.29 O ATOM 421 CB LYS A 27 -2.314 -14.349 -16.105 1.00 12.57 C ATOM 422 CG LYS A 27 -1.307 -14.251 -14.971 1.00 12.29 C ATOM 423 CD LYS A 27 0.120 -14.342 -15.493 1.00 13.09 C ATOM 424 CE LYS A 27 1.139 -14.067 -14.399 1.00 12.80 C ATOM 425 NZ LYS A 27 1.009 -15.019 -13.263 1.00 13.67 N ATOM 0 H LYS A 27 -3.426 -16.103 -14.766 1.00 12.21 H new ATOM 0 HA LYS A 27 -3.886 -13.364 -15.017 1.00 11.77 H new ATOM 0 HB2 LYS A 27 -2.174 -15.300 -16.620 1.00 12.57 H new ATOM 0 HB3 LYS A 27 -2.107 -13.561 -16.829 1.00 12.57 H new ATOM 0 HG2 LYS A 27 -1.444 -13.309 -14.440 1.00 12.29 H new ATOM 0 HG3 LYS A 27 -1.486 -15.051 -14.252 1.00 12.29 H new ATOM 0 HD2 LYS A 27 0.292 -15.335 -15.909 1.00 13.09 H new ATOM 0 HD3 LYS A 27 0.256 -13.628 -16.305 1.00 13.09 H new ATOM 0 HE2 LYS A 27 2.144 -14.134 -14.815 1.00 12.80 H new ATOM 0 HE3 LYS A 27 1.013 -13.048 -14.034 1.00 12.80 H new ATOM 0 HZ1 LYS A 27 1.614 -14.706 -12.477 1.00 13.67 H new ATOM 0 HZ2 LYS A 27 0.019 -15.049 -12.947 1.00 13.67 H new ATOM 0 HZ3 LYS A 27 1.303 -15.968 -13.570 1.00 13.67 H new ATOM 439 N ALA A 28 -5.084 -15.209 -17.453 1.00 12.96 N ATOM 440 CA ALA A 28 -5.941 -15.205 -18.633 1.00 13.31 C ATOM 441 C ALA A 28 -7.333 -14.678 -18.299 1.00 12.36 C ATOM 442 O ALA A 28 -7.970 -14.021 -19.119 1.00 12.18 O ATOM 443 CB ALA A 28 -6.031 -16.602 -19.227 1.00 14.55 C ATOM 0 H ALA A 28 -4.837 -16.140 -17.116 1.00 12.96 H new ATOM 0 HA ALA A 28 -5.496 -14.538 -19.371 1.00 13.31 H new ATOM 0 HB1 ALA A 28 -6.674 -16.583 -20.107 1.00 14.55 H new ATOM 0 HB2 ALA A 28 -5.035 -16.941 -19.513 1.00 14.55 H new ATOM 0 HB3 ALA A 28 -6.448 -17.286 -18.488 1.00 14.55 H new ATOM 449 N LYS A 29 -7.802 -14.976 -17.091 1.00 11.88 N ATOM 450 CA LYS A 29 -9.116 -14.519 -16.655 1.00 11.02 C ATOM 451 C LYS A 29 -9.084 -13.027 -16.348 1.00 9.90 C ATOM 452 O LYS A 29 -10.034 -12.300 -16.642 1.00 9.41 O ATOM 453 CB LYS A 29 -9.592 -15.309 -15.438 1.00 10.98 C ATOM 454 CG LYS A 29 -9.854 -16.778 -15.738 1.00 12.12 C ATOM 455 CD LYS A 29 -10.790 -17.401 -14.715 1.00 12.25 C ATOM 456 CE LYS A 29 -11.049 -18.869 -15.017 1.00 13.42 C ATOM 457 NZ LYS A 29 -12.079 -19.450 -14.112 1.00 13.70 N ATOM 0 H LYS A 29 -7.294 -15.529 -16.400 1.00 11.88 H new ATOM 0 HA LYS A 29 -9.824 -14.691 -17.466 1.00 11.02 H new ATOM 0 HB2 LYS A 29 -8.843 -15.234 -14.650 1.00 10.98 H new ATOM 0 HB3 LYS A 29 -10.506 -14.855 -15.054 1.00 10.98 H new ATOM 0 HG2 LYS A 29 -10.287 -16.875 -16.734 1.00 12.12 H new ATOM 0 HG3 LYS A 29 -8.910 -17.322 -15.746 1.00 12.12 H new ATOM 0 HD2 LYS A 29 -10.358 -17.304 -13.719 1.00 12.25 H new ATOM 0 HD3 LYS A 29 -11.735 -16.858 -14.707 1.00 12.25 H new ATOM 0 HE2 LYS A 29 -11.374 -18.975 -16.052 1.00 13.42 H new ATOM 0 HE3 LYS A 29 -10.120 -19.430 -14.916 1.00 13.42 H new ATOM 0 HZ1 LYS A 29 -11.878 -20.459 -13.959 1.00 13.70 H new ATOM 0 HZ2 LYS A 29 -12.060 -18.951 -13.200 1.00 13.70 H new ATOM 0 HZ3 LYS A 29 -13.019 -19.346 -14.544 1.00 13.70 H new ATOM 471 N ILE A 30 -7.983 -12.577 -15.754 1.00 9.57 N ATOM 472 CA ILE A 30 -7.814 -11.169 -15.421 1.00 8.57 C ATOM 473 C ILE A 30 -7.756 -10.317 -16.687 1.00 8.97 C ATOM 474 O ILE A 30 -8.319 -9.227 -16.733 1.00 8.49 O ATOM 475 CB ILE A 30 -6.539 -10.940 -14.583 1.00 8.26 C ATOM 476 CG1 ILE A 30 -6.613 -11.733 -13.274 1.00 8.10 C ATOM 477 CG2 ILE A 30 -6.349 -9.455 -14.297 1.00 7.34 C ATOM 478 CD1 ILE A 30 -5.312 -11.757 -12.500 1.00 8.06 C ATOM 0 H ILE A 30 -7.194 -13.169 -15.494 1.00 9.57 H new ATOM 0 HA ILE A 30 -8.677 -10.869 -14.827 1.00 8.57 H new ATOM 0 HB ILE A 30 -5.680 -11.293 -15.154 1.00 8.26 H new ATOM 0 HG12 ILE A 30 -7.392 -11.304 -12.644 1.00 8.10 H new ATOM 0 HG13 ILE A 30 -6.911 -12.757 -13.497 1.00 8.10 H new ATOM 0 HG21 ILE A 30 -5.445 -9.311 -13.705 1.00 7.34 H new ATOM 0 HG22 ILE A 30 -6.257 -8.912 -15.238 1.00 7.34 H new ATOM 0 HG23 ILE A 30 -7.209 -9.078 -13.743 1.00 7.34 H new ATOM 0 HD11 ILE A 30 -5.443 -12.337 -11.586 1.00 8.06 H new ATOM 0 HD12 ILE A 30 -4.533 -12.214 -13.111 1.00 8.06 H new ATOM 0 HD13 ILE A 30 -5.022 -10.738 -12.245 1.00 8.06 H new ATOM 490 N GLN A 31 -7.070 -10.820 -17.715 1.00 10.07 N ATOM 491 CA GLN A 31 -6.955 -10.098 -18.981 1.00 10.78 C ATOM 492 C GLN A 31 -8.291 -10.060 -19.719 1.00 10.96 C ATOM 493 O GLN A 31 -8.495 -9.231 -20.603 1.00 11.22 O ATOM 494 CB GLN A 31 -5.880 -10.727 -19.877 1.00 12.02 C ATOM 495 CG GLN A 31 -6.287 -12.051 -20.502 1.00 12.96 C ATOM 496 CD GLN A 31 -5.336 -12.503 -21.595 1.00 14.24 C ATOM 497 OE1 GLN A 31 -4.716 -11.683 -22.274 1.00 14.59 O ATOM 498 NE2 GLN A 31 -5.219 -13.813 -21.776 1.00 15.04 N ATOM 0 H GLN A 31 -6.589 -11.719 -17.695 1.00 10.07 H new ATOM 0 HA GLN A 31 -6.660 -9.075 -18.747 1.00 10.78 H new ATOM 0 HB2 GLN A 31 -5.629 -10.025 -20.672 1.00 12.02 H new ATOM 0 HB3 GLN A 31 -4.975 -10.879 -19.288 1.00 12.02 H new ATOM 0 HG2 GLN A 31 -6.331 -12.815 -19.726 1.00 12.96 H new ATOM 0 HG3 GLN A 31 -7.291 -11.959 -20.916 1.00 12.96 H new ATOM 0 HE21 GLN A 31 -5.751 -14.458 -21.192 1.00 15.04 H new ATOM 0 HE22 GLN A 31 -4.597 -14.174 -22.499 1.00 15.04 H new ATOM 507 N ASP A 32 -9.198 -10.965 -19.361 1.00 10.94 N ATOM 508 CA ASP A 32 -10.512 -11.013 -19.995 1.00 11.14 C ATOM 509 C ASP A 32 -11.393 -9.878 -19.483 1.00 10.25 C ATOM 510 O ASP A 32 -12.193 -9.315 -20.231 1.00 10.60 O ATOM 511 CB ASP A 32 -11.191 -12.363 -19.739 1.00 11.35 C ATOM 512 CG ASP A 32 -10.434 -13.529 -20.351 1.00 11.58 C ATOM 513 OD1 ASP A 32 -9.702 -13.313 -21.342 1.00 10.94 O ATOM 514 OD2 ASP A 32 -10.571 -14.659 -19.838 1.00 12.47 O ATOM 0 H ASP A 32 -9.049 -11.671 -18.640 1.00 10.94 H new ATOM 0 HA ASP A 32 -10.374 -10.894 -21.070 1.00 11.14 H new ATOM 0 HB2 ASP A 32 -11.283 -12.520 -18.664 1.00 11.35 H new ATOM 0 HB3 ASP A 32 -12.202 -12.339 -20.146 1.00 11.35 H new ATOM 519 N LYS A 33 -11.233 -9.547 -18.204 1.00 9.23 N ATOM 520 CA LYS A 33 -12.015 -8.483 -17.578 1.00 8.49 C ATOM 521 C LYS A 33 -11.295 -7.132 -17.634 1.00 8.32 C ATOM 522 O LYS A 33 -11.857 -6.144 -18.108 1.00 8.52 O ATOM 523 CB LYS A 33 -12.318 -8.843 -16.121 1.00 7.63 C ATOM 524 CG LYS A 33 -12.978 -10.206 -15.948 1.00 7.20 C ATOM 525 CD LYS A 33 -14.283 -10.313 -16.727 1.00 6.55 C ATOM 526 CE LYS A 33 -15.323 -9.319 -16.228 1.00 6.99 C ATOM 527 NZ LYS A 33 -15.637 -9.520 -14.787 1.00 6.67 N ATOM 0 H LYS A 33 -10.567 -10.001 -17.579 1.00 9.23 H new ATOM 0 HA LYS A 33 -12.945 -8.389 -18.139 1.00 8.49 H new ATOM 0 HB2 LYS A 33 -11.389 -8.825 -15.551 1.00 7.63 H new ATOM 0 HB3 LYS A 33 -12.968 -8.078 -15.695 1.00 7.63 H new ATOM 0 HG2 LYS A 33 -12.292 -10.985 -16.281 1.00 7.20 H new ATOM 0 HG3 LYS A 33 -13.172 -10.383 -14.890 1.00 7.20 H new ATOM 0 HD2 LYS A 33 -14.090 -10.137 -17.785 1.00 6.55 H new ATOM 0 HD3 LYS A 33 -14.677 -11.326 -16.639 1.00 6.55 H new ATOM 0 HE2 LYS A 33 -14.958 -8.304 -16.382 1.00 6.99 H new ATOM 0 HE3 LYS A 33 -16.235 -9.422 -16.816 1.00 6.99 H new ATOM 0 HZ1 LYS A 33 -16.493 -8.984 -14.540 1.00 6.67 H new ATOM 0 HZ2 LYS A 33 -15.797 -10.531 -14.604 1.00 6.67 H new ATOM 0 HZ3 LYS A 33 -14.840 -9.186 -14.208 1.00 6.67 H new ATOM 541 N GLU A 34 -10.054 -7.093 -17.147 1.00 8.14 N ATOM 542 CA GLU A 34 -9.271 -5.855 -17.115 1.00 8.06 C ATOM 543 C GLU A 34 -8.543 -5.578 -18.433 1.00 9.21 C ATOM 544 O GLU A 34 -8.024 -4.478 -18.633 1.00 9.60 O ATOM 545 CB GLU A 34 -8.252 -5.914 -15.975 1.00 7.25 C ATOM 546 CG GLU A 34 -8.867 -6.230 -14.622 1.00 6.20 C ATOM 547 CD GLU A 34 -9.935 -5.231 -14.216 1.00 6.09 C ATOM 548 OE1 GLU A 34 -9.583 -4.202 -13.600 1.00 6.14 O ATOM 549 OE2 GLU A 34 -11.122 -5.477 -14.516 1.00 6.20 O ATOM 0 H GLU A 34 -9.568 -7.906 -16.768 1.00 8.14 H new ATOM 0 HA GLU A 34 -9.976 -5.039 -16.955 1.00 8.06 H new ATOM 0 HB2 GLU A 34 -7.502 -6.670 -16.209 1.00 7.25 H new ATOM 0 HB3 GLU A 34 -7.733 -4.958 -15.914 1.00 7.25 H new ATOM 0 HG2 GLU A 34 -9.302 -7.229 -14.650 1.00 6.20 H new ATOM 0 HG3 GLU A 34 -8.082 -6.244 -13.865 1.00 6.20 H new ATOM 556 N GLY A 35 -8.504 -6.562 -19.325 1.00 9.92 N ATOM 557 CA GLY A 35 -7.829 -6.377 -20.603 1.00 11.11 C ATOM 558 C GLY A 35 -6.314 -6.289 -20.496 1.00 11.26 C ATOM 559 O GLY A 35 -5.638 -6.039 -21.495 1.00 12.20 O ATOM 0 H GLY A 35 -8.925 -7.481 -19.190 1.00 9.92 H new ATOM 0 HA2 GLY A 35 -8.089 -7.205 -21.263 1.00 11.11 H new ATOM 0 HA3 GLY A 35 -8.203 -5.467 -21.071 1.00 11.11 H new ATOM 563 N ILE A 36 -5.772 -6.491 -19.295 1.00 10.40 N ATOM 564 CA ILE A 36 -4.324 -6.427 -19.096 1.00 10.49 C ATOM 565 C ILE A 36 -3.651 -7.726 -19.542 1.00 11.27 C ATOM 566 O ILE A 36 -4.059 -8.811 -19.136 1.00 11.07 O ATOM 567 CB ILE A 36 -3.961 -6.132 -17.625 1.00 9.23 C ATOM 568 CG1 ILE A 36 -4.504 -7.226 -16.700 1.00 8.55 C ATOM 569 CG2 ILE A 36 -4.496 -4.766 -17.212 1.00 9.38 C ATOM 570 CD1 ILE A 36 -4.231 -6.965 -15.235 1.00 7.28 C ATOM 0 H ILE A 36 -6.308 -6.698 -18.452 1.00 10.40 H new ATOM 0 HA ILE A 36 -3.956 -5.606 -19.711 1.00 10.49 H new ATOM 0 HB ILE A 36 -2.875 -6.122 -17.535 1.00 9.23 H new ATOM 0 HG12 ILE A 36 -5.580 -7.318 -16.851 1.00 8.55 H new ATOM 0 HG13 ILE A 36 -4.060 -8.181 -16.980 1.00 8.55 H new ATOM 0 HG21 ILE A 36 -4.233 -4.571 -16.172 1.00 9.38 H new ATOM 0 HG22 ILE A 36 -4.058 -3.996 -17.848 1.00 9.38 H new ATOM 0 HG23 ILE A 36 -5.581 -4.752 -17.320 1.00 9.38 H new ATOM 0 HD11 ILE A 36 -4.643 -7.779 -14.638 1.00 7.28 H new ATOM 0 HD12 ILE A 36 -3.155 -6.902 -15.071 1.00 7.28 H new ATOM 0 HD13 ILE A 36 -4.698 -6.026 -14.940 1.00 7.28 H new ATOM 582 N PRO A 37 -2.605 -7.631 -20.387 1.00 12.32 N ATOM 583 CA PRO A 37 -1.890 -8.809 -20.896 1.00 13.26 C ATOM 584 C PRO A 37 -1.116 -9.547 -19.805 1.00 12.81 C ATOM 585 O PRO A 37 -0.542 -8.924 -18.912 1.00 12.09 O ATOM 586 CB PRO A 37 -0.926 -8.223 -21.933 1.00 14.23 C ATOM 587 CG PRO A 37 -0.727 -6.810 -21.509 1.00 14.14 C ATOM 588 CD PRO A 37 -2.035 -6.373 -20.907 1.00 12.79 C ATOM 0 HA PRO A 37 -2.577 -9.551 -21.302 1.00 13.26 H new ATOM 0 HB2 PRO A 37 0.018 -8.768 -21.949 1.00 14.23 H new ATOM 0 HB3 PRO A 37 -1.344 -8.280 -22.938 1.00 14.23 H new ATOM 0 HG2 PRO A 37 0.083 -6.730 -20.784 1.00 14.14 H new ATOM 0 HG3 PRO A 37 -0.458 -6.181 -22.358 1.00 14.14 H new ATOM 0 HD2 PRO A 37 -1.888 -5.640 -20.114 1.00 12.79 H new ATOM 0 HD3 PRO A 37 -2.686 -5.913 -21.650 1.00 12.79 H new ATOM 596 N PRO A 38 -1.087 -10.893 -19.874 1.00 13.33 N ATOM 597 CA PRO A 38 -0.379 -11.727 -18.893 1.00 13.21 C ATOM 598 C PRO A 38 1.128 -11.490 -18.919 1.00 13.55 C ATOM 599 O PRO A 38 1.822 -11.724 -17.928 1.00 13.14 O ATOM 600 CB PRO A 38 -0.703 -13.159 -19.333 1.00 14.22 C ATOM 601 CG PRO A 38 -1.065 -13.042 -20.773 1.00 14.34 C ATOM 602 CD PRO A 38 -1.735 -11.706 -20.917 1.00 14.21 C ATOM 0 HA PRO A 38 -0.689 -11.505 -17.872 1.00 13.21 H new ATOM 0 HB2 PRO A 38 0.153 -13.819 -19.193 1.00 14.22 H new ATOM 0 HB3 PRO A 38 -1.525 -13.575 -18.751 1.00 14.22 H new ATOM 0 HG2 PRO A 38 -0.180 -13.106 -21.406 1.00 14.34 H new ATOM 0 HG3 PRO A 38 -1.732 -13.849 -21.076 1.00 14.34 H new ATOM 0 HD2 PRO A 38 -1.582 -11.284 -21.910 1.00 14.21 H new ATOM 0 HD3 PRO A 38 -2.812 -11.776 -20.762 1.00 14.21 H new ATOM 610 N ASP A 39 1.623 -11.025 -20.062 1.00 14.37 N ATOM 611 CA ASP A 39 3.048 -10.751 -20.234 1.00 14.81 C ATOM 612 C ASP A 39 3.507 -9.623 -19.313 1.00 13.75 C ATOM 613 O ASP A 39 4.686 -9.538 -18.965 1.00 13.74 O ATOM 614 CB ASP A 39 3.343 -10.391 -21.692 1.00 15.96 C ATOM 615 CG ASP A 39 4.805 -10.053 -21.923 1.00 16.45 C ATOM 616 OD1 ASP A 39 5.613 -10.991 -22.089 1.00 16.42 O ATOM 617 OD2 ASP A 39 5.141 -8.850 -21.936 1.00 16.96 O ATOM 0 H ASP A 39 1.056 -10.829 -20.887 1.00 14.37 H new ATOM 0 HA ASP A 39 3.600 -11.652 -19.968 1.00 14.81 H new ATOM 0 HB2 ASP A 39 3.061 -11.226 -22.333 1.00 15.96 H new ATOM 0 HB3 ASP A 39 2.726 -9.541 -21.985 1.00 15.96 H new ATOM 622 N GLN A 40 2.571 -8.760 -18.926 1.00 12.90 N ATOM 623 CA GLN A 40 2.878 -7.632 -18.049 1.00 11.90 C ATOM 624 C GLN A 40 2.300 -7.838 -16.650 1.00 10.64 C ATOM 625 O GLN A 40 2.569 -7.051 -15.741 1.00 9.67 O ATOM 626 CB GLN A 40 2.335 -6.333 -18.649 1.00 11.91 C ATOM 627 CG GLN A 40 2.941 -5.986 -20.001 1.00 13.23 C ATOM 628 CD GLN A 40 4.439 -5.766 -19.927 1.00 13.45 C ATOM 629 OE1 GLN A 40 5.225 -6.698 -20.091 1.00 14.45 O ATOM 630 NE2 GLN A 40 4.842 -4.525 -19.675 1.00 12.63 N ATOM 0 H GLN A 40 1.592 -8.820 -19.206 1.00 12.90 H new ATOM 0 HA GLN A 40 3.962 -7.565 -17.961 1.00 11.90 H new ATOM 0 HB2 GLN A 40 1.253 -6.416 -18.756 1.00 11.91 H new ATOM 0 HB3 GLN A 40 2.525 -5.515 -17.954 1.00 11.91 H new ATOM 0 HG2 GLN A 40 2.730 -6.789 -20.707 1.00 13.23 H new ATOM 0 HG3 GLN A 40 2.464 -5.086 -20.389 1.00 13.23 H new ATOM 0 HE21 GLN A 40 4.155 -3.782 -19.546 1.00 12.63 H new ATOM 0 HE22 GLN A 40 5.838 -4.315 -19.611 1.00 12.63 H new ATOM 639 N GLN A 41 1.509 -8.895 -16.482 1.00 10.76 N ATOM 640 CA GLN A 41 0.894 -9.194 -15.191 1.00 9.79 C ATOM 641 C GLN A 41 1.868 -9.905 -14.258 1.00 9.92 C ATOM 642 O GLN A 41 2.455 -10.927 -14.616 1.00 10.91 O ATOM 643 CB GLN A 41 -0.352 -10.061 -15.383 1.00 9.99 C ATOM 644 CG GLN A 41 -1.582 -9.287 -15.828 1.00 9.70 C ATOM 645 CD GLN A 41 -2.789 -10.183 -16.028 1.00 9.80 C ATOM 646 OE1 GLN A 41 -3.544 -10.443 -15.093 1.00 9.65 O ATOM 647 NE2 GLN A 41 -2.978 -10.660 -17.254 1.00 10.21 N ATOM 0 H GLN A 41 1.279 -9.558 -17.222 1.00 10.76 H new ATOM 0 HA GLN A 41 0.613 -8.244 -14.736 1.00 9.79 H new ATOM 0 HB2 GLN A 41 -0.135 -10.833 -16.121 1.00 9.99 H new ATOM 0 HB3 GLN A 41 -0.575 -10.570 -14.446 1.00 9.99 H new ATOM 0 HG2 GLN A 41 -1.817 -8.526 -15.084 1.00 9.70 H new ATOM 0 HG3 GLN A 41 -1.362 -8.765 -16.759 1.00 9.70 H new ATOM 0 HE21 GLN A 41 -2.327 -10.419 -18.001 1.00 10.21 H new ATOM 0 HE22 GLN A 41 -3.774 -11.267 -17.448 1.00 10.21 H new ATOM 656 N ARG A 42 2.033 -9.349 -13.060 1.00 9.04 N ATOM 657 CA ARG A 42 2.909 -9.929 -12.048 1.00 9.21 C ATOM 658 C ARG A 42 2.115 -10.165 -10.769 1.00 8.55 C ATOM 659 O ARG A 42 1.707 -9.217 -10.100 1.00 7.55 O ATOM 660 CB ARG A 42 4.108 -9.016 -11.778 1.00 8.92 C ATOM 661 CG ARG A 42 5.363 -9.770 -11.367 1.00 9.32 C ATOM 662 CD ARG A 42 6.578 -8.857 -11.332 1.00 8.97 C ATOM 663 NE ARG A 42 7.825 -9.616 -11.305 1.00 9.07 N ATOM 664 CZ ARG A 42 9.030 -9.058 -11.324 1.00 8.61 C ATOM 665 NH1 ARG A 42 9.156 -7.739 -11.333 1.00 8.06 N ATOM 666 NH2 ARG A 42 10.114 -9.821 -11.322 1.00 8.89 N ATOM 0 H ARG A 42 1.567 -8.491 -12.766 1.00 9.04 H new ATOM 0 HA ARG A 42 3.293 -10.881 -12.413 1.00 9.21 H new ATOM 0 HB2 ARG A 42 4.321 -8.434 -12.675 1.00 8.92 H new ATOM 0 HB3 ARG A 42 3.846 -8.307 -10.992 1.00 8.92 H new ATOM 0 HG2 ARG A 42 5.214 -10.217 -10.384 1.00 9.32 H new ATOM 0 HG3 ARG A 42 5.542 -10.588 -12.065 1.00 9.32 H new ATOM 0 HD2 ARG A 42 6.568 -8.205 -12.205 1.00 8.97 H new ATOM 0 HD3 ARG A 42 6.525 -8.214 -10.453 1.00 8.97 H new ATOM 0 HE ARG A 42 7.767 -10.634 -11.269 1.00 9.07 H new ATOM 0 HH11 ARG A 42 8.325 -7.147 -11.325 1.00 8.06 H new ATOM 0 HH12 ARG A 42 10.084 -7.315 -11.348 1.00 8.06 H new ATOM 0 HH21 ARG A 42 10.023 -10.837 -11.306 1.00 8.89 H new ATOM 0 HH22 ARG A 42 11.039 -9.392 -11.337 1.00 8.89 H new ATOM 680 N LEU A 43 1.909 -11.431 -10.427 1.00 9.27 N ATOM 681 CA LEU A 43 1.130 -11.786 -9.244 1.00 9.04 C ATOM 682 C LEU A 43 2.036 -12.093 -8.062 1.00 9.51 C ATOM 683 O LEU A 43 2.920 -12.944 -8.147 1.00 10.56 O ATOM 684 CB LEU A 43 0.230 -12.990 -9.535 1.00 9.79 C ATOM 685 CG LEU A 43 -1.011 -12.693 -10.383 1.00 9.27 C ATOM 686 CD1 LEU A 43 -0.617 -12.128 -11.738 1.00 10.24 C ATOM 687 CD2 LEU A 43 -1.854 -13.948 -10.551 1.00 8.15 C ATOM 0 H LEU A 43 2.269 -12.229 -10.950 1.00 9.27 H new ATOM 0 HA LEU A 43 0.507 -10.929 -8.988 1.00 9.04 H new ATOM 0 HB2 LEU A 43 0.823 -13.751 -10.043 1.00 9.79 H new ATOM 0 HB3 LEU A 43 -0.093 -13.418 -8.586 1.00 9.79 H new ATOM 0 HG LEU A 43 -1.608 -11.943 -9.864 1.00 9.27 H new ATOM 0 HD11 LEU A 43 -1.514 -11.925 -12.322 1.00 10.24 H new ATOM 0 HD12 LEU A 43 -0.058 -11.203 -11.598 1.00 10.24 H new ATOM 0 HD13 LEU A 43 0.005 -12.851 -12.267 1.00 10.24 H new ATOM 0 HD21 LEU A 43 -2.731 -13.719 -11.156 1.00 8.15 H new ATOM 0 HD22 LEU A 43 -1.264 -14.719 -11.046 1.00 8.15 H new ATOM 0 HD23 LEU A 43 -2.172 -14.307 -9.572 1.00 8.15 H new ATOM 699 N ILE A 44 1.809 -11.386 -6.959 1.00 8.83 N ATOM 700 CA ILE A 44 2.594 -11.578 -5.748 1.00 9.35 C ATOM 701 C ILE A 44 1.728 -12.149 -4.631 1.00 9.75 C ATOM 702 O ILE A 44 0.632 -11.654 -4.367 1.00 9.11 O ATOM 703 CB ILE A 44 3.229 -10.256 -5.268 1.00 8.53 C ATOM 704 CG1 ILE A 44 3.859 -9.495 -6.443 1.00 8.20 C ATOM 705 CG2 ILE A 44 4.266 -10.527 -4.185 1.00 9.24 C ATOM 706 CD1 ILE A 44 4.833 -10.318 -7.262 1.00 9.33 C ATOM 0 H ILE A 44 1.084 -10.672 -6.881 1.00 8.83 H new ATOM 0 HA ILE A 44 3.391 -12.281 -5.991 1.00 9.35 H new ATOM 0 HB ILE A 44 2.442 -9.632 -4.844 1.00 8.53 H new ATOM 0 HG12 ILE A 44 3.064 -9.135 -7.097 1.00 8.20 H new ATOM 0 HG13 ILE A 44 4.377 -8.617 -6.057 1.00 8.20 H new ATOM 0 HG21 ILE A 44 4.705 -9.585 -3.857 1.00 9.24 H new ATOM 0 HG22 ILE A 44 3.788 -11.019 -3.338 1.00 9.24 H new ATOM 0 HG23 ILE A 44 5.049 -11.172 -4.584 1.00 9.24 H new ATOM 0 HD11 ILE A 44 5.233 -9.708 -8.072 1.00 9.33 H new ATOM 0 HD12 ILE A 44 5.650 -10.656 -6.624 1.00 9.33 H new ATOM 0 HD13 ILE A 44 4.317 -11.183 -7.680 1.00 9.33 H new ATOM 718 N PHE A 45 2.230 -13.194 -3.987 1.00 10.94 N ATOM 719 CA PHE A 45 1.519 -13.844 -2.894 1.00 11.61 C ATOM 720 C PHE A 45 2.504 -14.393 -1.871 1.00 12.55 C ATOM 721 O PHE A 45 3.339 -15.240 -2.193 1.00 13.34 O ATOM 722 CB PHE A 45 0.630 -14.976 -3.416 1.00 12.32 C ATOM 723 CG PHE A 45 -0.176 -15.647 -2.337 1.00 13.14 C ATOM 724 CD1 PHE A 45 0.352 -16.707 -1.613 1.00 14.44 C ATOM 725 CD2 PHE A 45 -1.459 -15.212 -2.040 1.00 12.72 C ATOM 726 CE1 PHE A 45 -0.386 -17.320 -0.617 1.00 15.27 C ATOM 727 CE2 PHE A 45 -2.199 -15.821 -1.043 1.00 13.62 C ATOM 728 CZ PHE A 45 -1.662 -16.875 -0.331 1.00 14.88 C ATOM 0 H PHE A 45 3.134 -13.613 -4.205 1.00 10.94 H new ATOM 0 HA PHE A 45 0.886 -13.097 -2.415 1.00 11.61 H new ATOM 0 HB2 PHE A 45 -0.048 -14.577 -4.171 1.00 12.32 H new ATOM 0 HB3 PHE A 45 1.255 -15.721 -3.909 1.00 12.32 H new ATOM 0 HD1 PHE A 45 1.350 -17.057 -1.830 1.00 14.44 H new ATOM 0 HD2 PHE A 45 -1.885 -14.388 -2.594 1.00 12.72 H new ATOM 0 HE1 PHE A 45 0.035 -18.146 -0.063 1.00 15.27 H new ATOM 0 HE2 PHE A 45 -3.197 -15.472 -0.821 1.00 13.62 H new ATOM 0 HZ PHE A 45 -2.239 -17.351 0.448 1.00 14.88 H new ATOM 738 N ALA A 46 2.404 -13.898 -0.643 1.00 12.55 N ATOM 739 CA ALA A 46 3.273 -14.336 0.441 1.00 13.48 C ATOM 740 C ALA A 46 4.719 -13.939 0.211 1.00 13.42 C ATOM 741 O ALA A 46 5.642 -14.622 0.661 1.00 14.38 O ATOM 742 CB ALA A 46 3.158 -15.842 0.635 1.00 14.76 C ATOM 0 H ALA A 46 1.724 -13.188 -0.373 1.00 12.55 H new ATOM 0 HA ALA A 46 2.941 -13.832 1.349 1.00 13.48 H new ATOM 0 HB1 ALA A 46 3.813 -16.155 1.448 1.00 14.76 H new ATOM 0 HB2 ALA A 46 2.127 -16.100 0.879 1.00 14.76 H new ATOM 0 HB3 ALA A 46 3.451 -16.351 -0.283 1.00 14.76 H new ATOM 748 N GLY A 47 4.912 -12.832 -0.483 1.00 12.34 N ATOM 749 CA GLY A 47 6.249 -12.359 -0.747 1.00 12.25 C ATOM 750 C GLY A 47 6.912 -13.061 -1.916 1.00 12.73 C ATOM 751 O GLY A 47 8.031 -12.714 -2.293 1.00 12.99 O ATOM 0 H GLY A 47 4.166 -12.253 -0.868 1.00 12.34 H new ATOM 0 HA2 GLY A 47 6.216 -11.288 -0.947 1.00 12.25 H new ATOM 0 HA3 GLY A 47 6.859 -12.498 0.145 1.00 12.25 H new ATOM 755 N LYS A 48 6.229 -14.052 -2.489 1.00 12.95 N ATOM 756 CA LYS A 48 6.771 -14.798 -3.623 1.00 13.60 C ATOM 757 C LYS A 48 5.938 -14.569 -4.880 1.00 12.95 C ATOM 758 O LYS A 48 4.722 -14.394 -4.807 1.00 12.25 O ATOM 759 CB LYS A 48 6.828 -16.292 -3.292 1.00 14.88 C ATOM 760 CG LYS A 48 7.406 -17.145 -4.412 1.00 15.77 C ATOM 761 CD LYS A 48 7.557 -18.598 -3.986 1.00 16.95 C ATOM 762 CE LYS A 48 8.014 -19.476 -5.141 1.00 16.96 C ATOM 763 NZ LYS A 48 9.342 -19.058 -5.671 1.00 17.08 N ATOM 0 H LYS A 48 5.303 -14.355 -2.188 1.00 12.95 H new ATOM 0 HA LYS A 48 7.781 -14.436 -3.816 1.00 13.60 H new ATOM 0 HB2 LYS A 48 7.428 -16.433 -2.393 1.00 14.88 H new ATOM 0 HB3 LYS A 48 5.822 -16.643 -3.062 1.00 14.88 H new ATOM 0 HG2 LYS A 48 6.758 -17.087 -5.286 1.00 15.77 H new ATOM 0 HG3 LYS A 48 8.377 -16.749 -4.708 1.00 15.77 H new ATOM 0 HD2 LYS A 48 8.277 -18.666 -3.170 1.00 16.95 H new ATOM 0 HD3 LYS A 48 6.605 -18.966 -3.603 1.00 16.95 H new ATOM 0 HE2 LYS A 48 8.067 -20.513 -4.809 1.00 16.96 H new ATOM 0 HE3 LYS A 48 7.275 -19.435 -5.941 1.00 16.96 H new ATOM 0 HZ1 LYS A 48 9.669 -19.751 -6.374 1.00 17.08 H new ATOM 0 HZ2 LYS A 48 9.258 -18.123 -6.119 1.00 17.08 H new ATOM 0 HZ3 LYS A 48 10.027 -19.008 -4.890 1.00 17.08 H new ATOM 777 N GLN A 49 6.601 -14.575 -6.034 1.00 13.28 N ATOM 778 CA GLN A 49 5.923 -14.369 -7.310 1.00 12.91 C ATOM 779 C GLN A 49 5.302 -15.675 -7.799 1.00 13.82 C ATOM 780 O GLN A 49 5.974 -16.706 -7.861 1.00 14.97 O ATOM 781 CB GLN A 49 6.903 -13.827 -8.355 1.00 13.03 C ATOM 782 CG GLN A 49 6.234 -13.392 -9.651 1.00 12.43 C ATOM 783 CD GLN A 49 7.231 -13.001 -10.728 1.00 12.64 C ATOM 784 OE1 GLN A 49 8.385 -12.488 -10.316 1.00 12.65 O flip ATOM 785 NE2 GLN A 49 6.964 -13.155 -11.920 1.00 12.96 N flip ATOM 0 H GLN A 49 7.608 -14.720 -6.111 1.00 13.28 H new ATOM 0 HA GLN A 49 5.129 -13.637 -7.164 1.00 12.91 H new ATOM 0 HB2 GLN A 49 7.441 -12.979 -7.931 1.00 13.03 H new ATOM 0 HB3 GLN A 49 7.644 -14.595 -8.578 1.00 13.03 H new ATOM 0 HG2 GLN A 49 5.607 -14.203 -10.021 1.00 12.43 H new ATOM 0 HG3 GLN A 49 5.576 -12.547 -9.448 1.00 12.43 H new ATOM 0 HE21 GLN A 49 6.066 -13.553 -12.194 1.00 12.96 H new ATOM 0 HE22 GLN A 49 7.641 -12.885 -12.633 1.00 12.96 H new ATOM 794 N LEU A 50 4.017 -15.628 -8.145 1.00 13.33 N ATOM 795 CA LEU A 50 3.306 -16.808 -8.625 1.00 14.13 C ATOM 796 C LEU A 50 3.833 -17.247 -9.988 1.00 14.81 C ATOM 797 O LEU A 50 3.960 -16.437 -10.908 1.00 14.27 O ATOM 798 CB LEU A 50 1.803 -16.530 -8.706 1.00 13.38 C ATOM 799 CG LEU A 50 1.129 -16.186 -7.374 1.00 12.72 C ATOM 800 CD1 LEU A 50 -0.380 -16.073 -7.550 1.00 12.09 C ATOM 801 CD2 LEU A 50 1.465 -17.230 -6.319 1.00 13.76 C ATOM 0 H LEU A 50 3.447 -14.783 -8.101 1.00 13.33 H new ATOM 0 HA LEU A 50 3.478 -17.617 -7.915 1.00 14.13 H new ATOM 0 HB2 LEU A 50 1.639 -15.706 -9.401 1.00 13.38 H new ATOM 0 HB3 LEU A 50 1.310 -17.406 -9.128 1.00 13.38 H new ATOM 0 HG LEU A 50 1.509 -15.221 -7.038 1.00 12.72 H new ATOM 0 HD11 LEU A 50 -0.841 -15.828 -6.593 1.00 12.09 H new ATOM 0 HD12 LEU A 50 -0.604 -15.288 -8.272 1.00 12.09 H new ATOM 0 HD13 LEU A 50 -0.776 -17.022 -7.911 1.00 12.09 H new ATOM 0 HD21 LEU A 50 0.977 -16.968 -5.380 1.00 13.76 H new ATOM 0 HD22 LEU A 50 1.114 -18.208 -6.650 1.00 13.76 H new ATOM 0 HD23 LEU A 50 2.544 -17.263 -6.170 1.00 13.76 H new ATOM 813 N GLU A 51 4.135 -18.538 -10.107 1.00 16.07 N ATOM 814 CA GLU A 51 4.656 -19.100 -11.348 1.00 16.92 C ATOM 815 C GLU A 51 3.520 -19.548 -12.266 1.00 17.12 C ATOM 816 O GLU A 51 2.674 -20.352 -11.872 1.00 17.35 O ATOM 817 CB GLU A 51 5.583 -20.280 -11.036 1.00 18.22 C ATOM 818 CG GLU A 51 6.573 -20.602 -12.145 1.00 19.07 C ATOM 819 CD GLU A 51 5.905 -21.163 -13.385 1.00 20.22 C ATOM 820 OE1 GLU A 51 5.494 -22.342 -13.355 1.00 20.40 O ATOM 821 OE2 GLU A 51 5.793 -20.423 -14.386 1.00 21.00 O ATOM 0 H GLU A 51 4.026 -19.217 -9.354 1.00 16.07 H new ATOM 0 HA GLU A 51 5.222 -18.326 -11.866 1.00 16.92 H new ATOM 0 HB2 GLU A 51 6.136 -20.062 -10.122 1.00 18.22 H new ATOM 0 HB3 GLU A 51 4.975 -21.163 -10.838 1.00 18.22 H new ATOM 0 HG2 GLU A 51 7.121 -19.698 -12.411 1.00 19.07 H new ATOM 0 HG3 GLU A 51 7.304 -21.321 -11.775 1.00 19.07 H new ATOM 828 N ASP A 52 3.513 -19.016 -13.491 1.00 17.11 N ATOM 829 CA ASP A 52 2.485 -19.345 -14.485 1.00 17.32 C ATOM 830 C ASP A 52 2.062 -20.810 -14.393 1.00 18.50 C ATOM 831 O ASP A 52 0.883 -21.110 -14.204 1.00 18.49 O ATOM 832 CB ASP A 52 2.992 -19.036 -15.895 1.00 17.56 C ATOM 833 CG ASP A 52 3.179 -17.547 -16.125 1.00 16.47 C ATOM 834 OD1 ASP A 52 4.284 -17.037 -15.847 1.00 15.96 O ATOM 835 OD2 ASP A 52 2.217 -16.891 -16.579 1.00 16.20 O ATOM 0 H ASP A 52 4.212 -18.351 -13.821 1.00 17.11 H new ATOM 0 HA ASP A 52 1.612 -18.729 -14.272 1.00 17.32 H new ATOM 0 HB2 ASP A 52 3.940 -19.549 -16.059 1.00 17.56 H new ATOM 0 HB3 ASP A 52 2.286 -19.429 -16.627 1.00 17.56 H new ATOM 840 N GLY A 53 3.028 -21.717 -14.528 1.00 19.52 N ATOM 841 CA GLY A 53 2.731 -23.137 -14.447 1.00 20.72 C ATOM 842 C GLY A 53 1.974 -23.489 -13.178 1.00 20.81 C ATOM 843 O GLY A 53 0.778 -23.777 -13.227 1.00 21.79 O ATOM 0 H GLY A 53 4.010 -21.493 -14.692 1.00 19.52 H new ATOM 0 HA2 GLY A 53 2.142 -23.434 -15.315 1.00 20.72 H new ATOM 0 HA3 GLY A 53 3.661 -23.704 -14.484 1.00 20.72 H new ATOM 847 N ARG A 54 2.697 -23.505 -12.054 1.00 19.86 N ATOM 848 CA ARG A 54 2.132 -23.800 -10.728 1.00 20.02 C ATOM 849 C ARG A 54 0.660 -23.406 -10.579 1.00 19.36 C ATOM 850 O ARG A 54 0.153 -22.541 -11.292 1.00 18.53 O ATOM 851 CB ARG A 54 2.956 -23.098 -9.646 1.00 19.57 C ATOM 852 CG ARG A 54 4.394 -23.585 -9.553 1.00 20.34 C ATOM 853 CD ARG A 54 4.466 -25.063 -9.202 1.00 21.73 C ATOM 854 NE ARG A 54 5.817 -25.468 -8.820 1.00 22.50 N ATOM 855 CZ ARG A 54 6.099 -26.603 -8.187 1.00 23.45 C ATOM 856 NH1 ARG A 54 5.128 -27.443 -7.856 1.00 23.75 N ATOM 857 NH2 ARG A 54 7.355 -26.899 -7.882 1.00 24.16 N ATOM 0 H ARG A 54 3.699 -23.313 -12.036 1.00 19.86 H new ATOM 0 HA ARG A 54 2.178 -24.883 -10.613 1.00 20.02 H new ATOM 0 HB2 ARG A 54 2.958 -22.026 -9.843 1.00 19.57 H new ATOM 0 HB3 ARG A 54 2.470 -23.244 -8.681 1.00 19.57 H new ATOM 0 HG2 ARG A 54 4.899 -23.412 -10.503 1.00 20.34 H new ATOM 0 HG3 ARG A 54 4.926 -23.006 -8.799 1.00 20.34 H new ATOM 0 HD2 ARG A 54 3.778 -25.275 -8.383 1.00 21.73 H new ATOM 0 HD3 ARG A 54 4.137 -25.655 -10.056 1.00 21.73 H new ATOM 0 HE ARG A 54 6.589 -24.843 -9.053 1.00 22.50 H new ATOM 0 HH11 ARG A 54 4.160 -27.220 -8.087 1.00 23.75 H new ATOM 0 HH12 ARG A 54 5.349 -28.312 -7.371 1.00 23.75 H new ATOM 0 HH21 ARG A 54 8.106 -26.256 -8.133 1.00 24.16 H new ATOM 0 HH22 ARG A 54 7.570 -27.770 -7.396 1.00 24.16 H new ATOM 871 N THR A 55 -0.002 -24.044 -9.609 1.00 19.79 N ATOM 872 CA THR A 55 -1.417 -23.802 -9.325 1.00 19.31 C ATOM 873 C THR A 55 -1.602 -23.106 -7.978 1.00 18.56 C ATOM 874 O THR A 55 -0.674 -23.035 -7.173 1.00 18.57 O ATOM 875 CB THR A 55 -2.215 -25.122 -9.310 1.00 20.43 C ATOM 876 OG1 THR A 55 -1.670 -26.013 -8.329 1.00 21.36 O ATOM 877 CG2 THR A 55 -2.190 -25.790 -10.677 1.00 21.11 C ATOM 0 H THR A 55 0.428 -24.741 -9.001 1.00 19.79 H new ATOM 0 HA THR A 55 -1.791 -23.157 -10.120 1.00 19.31 H new ATOM 0 HB THR A 55 -3.250 -24.890 -9.057 1.00 20.43 H new ATOM 0 HG1 THR A 55 -2.183 -26.848 -8.324 1.00 21.36 H new ATOM 0 HG21 THR A 55 -2.760 -26.718 -10.639 1.00 21.11 H new ATOM 0 HG22 THR A 55 -2.633 -25.123 -11.416 1.00 21.11 H new ATOM 0 HG23 THR A 55 -1.159 -26.008 -10.957 1.00 21.11 H new ATOM 885 N LEU A 56 -2.803 -22.576 -7.750 1.00 17.96 N ATOM 886 CA LEU A 56 -3.127 -21.891 -6.498 1.00 17.35 C ATOM 887 C LEU A 56 -2.820 -22.762 -5.275 1.00 18.41 C ATOM 888 O LEU A 56 -2.446 -22.248 -4.221 1.00 18.24 O ATOM 889 CB LEU A 56 -4.604 -21.478 -6.487 1.00 16.66 C ATOM 890 CG LEU A 56 -4.990 -20.331 -7.432 1.00 15.55 C ATOM 891 CD1 LEU A 56 -4.103 -19.115 -7.211 1.00 14.99 C ATOM 892 CD2 LEU A 56 -4.930 -20.784 -8.884 1.00 14.57 C ATOM 0 H LEU A 56 -3.572 -22.608 -8.420 1.00 17.96 H new ATOM 0 HA LEU A 56 -2.499 -21.002 -6.440 1.00 17.35 H new ATOM 0 HB2 LEU A 56 -5.206 -22.350 -6.741 1.00 16.66 H new ATOM 0 HB3 LEU A 56 -4.873 -21.191 -5.470 1.00 16.66 H new ATOM 0 HG LEU A 56 -6.016 -20.043 -7.205 1.00 15.55 H new ATOM 0 HD11 LEU A 56 -4.400 -18.319 -7.894 1.00 14.99 H new ATOM 0 HD12 LEU A 56 -4.209 -18.769 -6.183 1.00 14.99 H new ATOM 0 HD13 LEU A 56 -3.063 -19.384 -7.398 1.00 14.99 H new ATOM 0 HD21 LEU A 56 -5.207 -19.955 -9.535 1.00 14.57 H new ATOM 0 HD22 LEU A 56 -3.917 -21.110 -9.122 1.00 14.57 H new ATOM 0 HD23 LEU A 56 -5.622 -21.612 -9.036 1.00 14.57 H new ATOM 904 N SER A 57 -2.972 -24.078 -5.423 1.00 19.54 N ATOM 905 CA SER A 57 -2.718 -25.011 -4.323 1.00 20.67 C ATOM 906 C SER A 57 -1.228 -25.100 -3.997 1.00 21.10 C ATOM 907 O SER A 57 -0.849 -25.492 -2.892 1.00 21.74 O ATOM 908 CB SER A 57 -3.260 -26.399 -4.675 1.00 21.76 C ATOM 909 OG SER A 57 -3.063 -27.311 -3.609 1.00 21.61 O ATOM 0 H SER A 57 -3.269 -24.522 -6.292 1.00 19.54 H new ATOM 0 HA SER A 57 -3.233 -24.634 -3.440 1.00 20.67 H new ATOM 0 HB2 SER A 57 -4.323 -26.329 -4.906 1.00 21.76 H new ATOM 0 HB3 SER A 57 -2.763 -26.770 -5.571 1.00 21.76 H new ATOM 0 HG SER A 57 -3.419 -28.189 -3.859 1.00 21.61 H new ATOM 915 N ASP A 58 -0.389 -24.731 -4.961 1.00 20.79 N ATOM 916 CA ASP A 58 1.060 -24.771 -4.778 1.00 21.19 C ATOM 917 C ASP A 58 1.510 -23.746 -3.739 1.00 20.53 C ATOM 918 O ASP A 58 2.409 -24.014 -2.940 1.00 21.09 O ATOM 919 CB ASP A 58 1.775 -24.513 -6.108 1.00 20.98 C ATOM 920 CG ASP A 58 3.285 -24.518 -5.966 1.00 22.06 C ATOM 921 OD1 ASP A 58 3.873 -25.618 -5.895 1.00 21.87 O ATOM 922 OD2 ASP A 58 3.882 -23.421 -5.928 1.00 23.14 O ATOM 0 H ASP A 58 -0.688 -24.400 -5.879 1.00 20.79 H new ATOM 0 HA ASP A 58 1.324 -25.766 -4.419 1.00 21.19 H new ATOM 0 HB2 ASP A 58 1.479 -25.274 -6.830 1.00 20.98 H new ATOM 0 HB3 ASP A 58 1.454 -23.551 -6.509 1.00 20.98 H new ATOM 927 N TYR A 59 0.877 -22.575 -3.756 1.00 19.37 N ATOM 928 CA TYR A 59 1.213 -21.503 -2.823 1.00 18.69 C ATOM 929 C TYR A 59 0.258 -21.475 -1.630 1.00 18.82 C ATOM 930 O TYR A 59 0.291 -20.547 -0.822 1.00 18.30 O ATOM 931 CB TYR A 59 1.188 -20.156 -3.546 1.00 17.29 C ATOM 932 CG TYR A 59 2.209 -20.052 -4.658 1.00 17.19 C ATOM 933 CD1 TYR A 59 1.989 -20.663 -5.888 1.00 17.17 C ATOM 934 CD2 TYR A 59 3.392 -19.347 -4.478 1.00 17.22 C ATOM 935 CE1 TYR A 59 2.921 -20.573 -6.904 1.00 17.26 C ATOM 936 CE2 TYR A 59 4.327 -19.253 -5.490 1.00 17.25 C ATOM 937 CZ TYR A 59 4.087 -19.868 -6.700 1.00 17.30 C ATOM 938 OH TYR A 59 5.019 -19.777 -7.708 1.00 17.49 O ATOM 0 H TYR A 59 0.127 -22.345 -4.408 1.00 19.37 H new ATOM 0 HA TYR A 59 2.216 -21.693 -2.442 1.00 18.69 H new ATOM 0 HB2 TYR A 59 0.193 -19.993 -3.960 1.00 17.29 H new ATOM 0 HB3 TYR A 59 1.367 -19.360 -2.823 1.00 17.29 H new ATOM 0 HD1 TYR A 59 1.076 -21.216 -6.051 1.00 17.17 H new ATOM 0 HD2 TYR A 59 3.584 -18.864 -3.531 1.00 17.22 H new ATOM 0 HE1 TYR A 59 2.736 -21.053 -7.854 1.00 17.26 H new ATOM 0 HE2 TYR A 59 5.242 -18.700 -5.334 1.00 17.25 H new ATOM 0 HH TYR A 59 5.319 -18.848 -7.793 1.00 17.49 H new ATOM 948 N ASN A 60 -0.592 -22.498 -1.525 1.00 19.61 N ATOM 949 CA ASN A 60 -1.553 -22.593 -0.426 1.00 19.94 C ATOM 950 C ASN A 60 -2.490 -21.385 -0.407 1.00 18.78 C ATOM 951 O ASN A 60 -2.727 -20.783 0.642 1.00 18.73 O ATOM 952 CB ASN A 60 -0.819 -22.717 0.915 1.00 20.73 C ATOM 953 CG ASN A 60 0.154 -23.882 0.937 1.00 21.53 C ATOM 954 OD1 ASN A 60 -0.054 -24.894 0.266 1.00 21.59 O ATOM 955 ND2 ASN A 60 1.221 -23.746 1.714 1.00 22.24 N ATOM 0 H ASN A 60 -0.634 -23.272 -2.188 1.00 19.61 H new ATOM 0 HA ASN A 60 -2.157 -23.487 -0.583 1.00 19.94 H new ATOM 0 HB2 ASN A 60 -0.279 -21.792 1.117 1.00 20.73 H new ATOM 0 HB3 ASN A 60 -1.549 -22.841 1.715 1.00 20.73 H new ATOM 0 HD21 ASN A 60 1.908 -24.497 1.772 1.00 22.24 H new ATOM 0 HD22 ASN A 60 1.354 -22.890 2.253 1.00 22.24 H new ATOM 962 N ILE A 61 -3.022 -21.043 -1.577 1.00 17.93 N ATOM 963 CA ILE A 61 -3.935 -19.912 -1.707 1.00 16.80 C ATOM 964 C ILE A 61 -5.386 -20.359 -1.530 1.00 17.14 C ATOM 965 O ILE A 61 -5.954 -21.021 -2.400 1.00 17.46 O ATOM 966 CB ILE A 61 -3.771 -19.218 -3.077 1.00 15.70 C ATOM 967 CG1 ILE A 61 -2.314 -18.788 -3.276 1.00 15.44 C ATOM 968 CG2 ILE A 61 -4.708 -18.020 -3.185 1.00 14.52 C ATOM 969 CD1 ILE A 61 -2.023 -18.221 -4.649 1.00 14.60 C ATOM 0 H ILE A 61 -2.836 -21.535 -2.451 1.00 17.93 H new ATOM 0 HA ILE A 61 -3.684 -19.200 -0.921 1.00 16.80 H new ATOM 0 HB ILE A 61 -4.035 -19.925 -3.863 1.00 15.70 H new ATOM 0 HG12 ILE A 61 -2.060 -18.041 -2.524 1.00 15.44 H new ATOM 0 HG13 ILE A 61 -1.665 -19.647 -3.104 1.00 15.44 H new ATOM 0 HG21 ILE A 61 -4.579 -17.543 -4.157 1.00 14.52 H new ATOM 0 HG22 ILE A 61 -5.740 -18.355 -3.079 1.00 14.52 H new ATOM 0 HG23 ILE A 61 -4.476 -17.304 -2.396 1.00 14.52 H new ATOM 0 HD11 ILE A 61 -0.972 -17.940 -4.711 1.00 14.60 H new ATOM 0 HD12 ILE A 61 -2.243 -18.972 -5.407 1.00 14.60 H new ATOM 0 HD13 ILE A 61 -2.644 -17.342 -4.819 1.00 14.60 H new ATOM 981 N GLN A 62 -5.975 -19.994 -0.393 1.00 17.17 N ATOM 982 CA GLN A 62 -7.361 -20.352 -0.087 1.00 17.56 C ATOM 983 C GLN A 62 -8.322 -19.262 -0.555 1.00 16.44 C ATOM 984 O GLN A 62 -7.903 -18.261 -1.136 1.00 15.35 O ATOM 985 CB GLN A 62 -7.526 -20.588 1.418 1.00 18.57 C ATOM 986 CG GLN A 62 -6.962 -21.919 1.898 1.00 19.77 C ATOM 987 CD GLN A 62 -5.483 -22.074 1.603 1.00 20.75 C ATOM 988 OE1 GLN A 62 -5.166 -22.638 0.443 1.00 21.49 O flip ATOM 989 NE2 GLN A 62 -4.634 -21.693 2.409 1.00 20.83 N flip ATOM 0 H GLN A 62 -5.513 -19.449 0.335 1.00 17.17 H new ATOM 0 HA GLN A 62 -7.601 -21.272 -0.620 1.00 17.56 H new ATOM 0 HB2 GLN A 62 -7.034 -19.780 1.959 1.00 18.57 H new ATOM 0 HB3 GLN A 62 -8.586 -20.541 1.669 1.00 18.57 H new ATOM 0 HG2 GLN A 62 -7.125 -22.011 2.972 1.00 19.77 H new ATOM 0 HG3 GLN A 62 -7.509 -22.733 1.422 1.00 19.77 H new ATOM 0 HE21 GLN A 62 -4.922 -21.265 3.289 1.00 20.83 H new ATOM 0 HE22 GLN A 62 -3.643 -21.806 2.197 1.00 20.83 H new ATOM 998 N LYS A 63 -9.616 -19.466 -0.309 1.00 16.74 N ATOM 999 CA LYS A 63 -10.633 -18.497 -0.706 1.00 15.83 C ATOM 1000 C LYS A 63 -10.489 -17.194 0.080 1.00 15.40 C ATOM 1001 O LYS A 63 -9.915 -17.174 1.168 1.00 16.08 O ATOM 1002 CB LYS A 63 -12.036 -19.078 -0.503 1.00 16.42 C ATOM 1003 CG LYS A 63 -13.129 -18.295 -1.219 1.00 17.58 C ATOM 1004 CD LYS A 63 -14.501 -18.926 -1.024 1.00 18.15 C ATOM 1005 CE LYS A 63 -14.974 -18.816 0.418 1.00 19.19 C ATOM 1006 NZ LYS A 63 -16.363 -19.325 0.586 1.00 18.86 N ATOM 0 H LYS A 63 -9.983 -20.293 0.163 1.00 16.74 H new ATOM 0 HA LYS A 63 -10.489 -18.278 -1.764 1.00 15.83 H new ATOM 0 HB2 LYS A 63 -12.048 -20.109 -0.857 1.00 16.42 H new ATOM 0 HB3 LYS A 63 -12.259 -19.104 0.564 1.00 16.42 H new ATOM 0 HG2 LYS A 63 -13.145 -17.271 -0.847 1.00 17.58 H new ATOM 0 HG3 LYS A 63 -12.901 -18.244 -2.284 1.00 17.58 H new ATOM 0 HD2 LYS A 63 -15.222 -18.439 -1.681 1.00 18.15 H new ATOM 0 HD3 LYS A 63 -14.463 -19.976 -1.315 1.00 18.15 H new ATOM 0 HE2 LYS A 63 -14.300 -19.378 1.065 1.00 19.19 H new ATOM 0 HE3 LYS A 63 -14.928 -17.775 0.737 1.00 19.19 H new ATOM 0 HZ1 LYS A 63 -16.648 -19.233 1.582 1.00 18.86 H new ATOM 0 HZ2 LYS A 63 -17.010 -18.772 -0.012 1.00 18.86 H new ATOM 0 HZ3 LYS A 63 -16.402 -20.326 0.306 1.00 18.86 H new ATOM 1020 N GLU A 64 -11.012 -16.111 -0.492 1.00 14.33 N ATOM 1021 CA GLU A 64 -10.963 -14.792 0.139 1.00 13.93 C ATOM 1022 C GLU A 64 -9.525 -14.301 0.311 1.00 13.56 C ATOM 1023 O GLU A 64 -9.244 -13.477 1.181 1.00 13.53 O ATOM 1024 CB GLU A 64 -11.672 -14.823 1.497 1.00 14.98 C ATOM 1025 CG GLU A 64 -13.107 -15.323 1.428 1.00 15.11 C ATOM 1026 CD GLU A 64 -13.770 -15.381 2.791 1.00 15.97 C ATOM 1027 OE1 GLU A 64 -14.316 -14.347 3.231 1.00 15.76 O ATOM 1028 OE2 GLU A 64 -13.743 -16.460 3.420 1.00 16.92 O ATOM 0 H GLU A 64 -11.478 -16.121 -1.399 1.00 14.33 H new ATOM 0 HA GLU A 64 -11.479 -14.094 -0.520 1.00 13.93 H new ATOM 0 HB2 GLU A 64 -11.107 -15.461 2.177 1.00 14.98 H new ATOM 0 HB3 GLU A 64 -11.667 -13.819 1.922 1.00 14.98 H new ATOM 0 HG2 GLU A 64 -13.685 -14.669 0.774 1.00 15.11 H new ATOM 0 HG3 GLU A 64 -13.121 -16.316 0.979 1.00 15.11 H new ATOM 1035 N SER A 65 -8.620 -14.802 -0.527 1.00 13.38 N ATOM 1036 CA SER A 65 -7.215 -14.403 -0.463 1.00 13.05 C ATOM 1037 C SER A 65 -6.975 -13.132 -1.272 1.00 11.65 C ATOM 1038 O SER A 65 -7.778 -12.773 -2.129 1.00 10.94 O ATOM 1039 CB SER A 65 -6.316 -15.530 -0.980 1.00 13.61 C ATOM 1040 OG SER A 65 -6.270 -16.608 -0.063 1.00 14.92 O ATOM 0 H SER A 65 -8.833 -15.483 -1.256 1.00 13.38 H new ATOM 0 HA SER A 65 -6.967 -14.202 0.579 1.00 13.05 H new ATOM 0 HB2 SER A 65 -6.687 -15.883 -1.942 1.00 13.61 H new ATOM 0 HB3 SER A 65 -5.309 -15.148 -1.148 1.00 13.61 H new ATOM 0 HG SER A 65 -6.697 -17.395 -0.462 1.00 14.92 H new ATOM 1046 N THR A 66 -5.864 -12.458 -0.991 1.00 11.29 N ATOM 1047 CA THR A 66 -5.512 -11.227 -1.693 1.00 9.99 C ATOM 1048 C THR A 66 -4.212 -11.401 -2.477 1.00 9.57 C ATOM 1049 O THR A 66 -3.194 -11.821 -1.928 1.00 10.12 O ATOM 1050 CB THR A 66 -5.369 -10.038 -0.719 1.00 9.92 C ATOM 1051 OG1 THR A 66 -4.907 -8.877 -1.423 1.00 10.85 O ATOM 1052 CG2 THR A 66 -4.407 -10.365 0.415 1.00 8.71 C ATOM 0 H THR A 66 -5.190 -12.744 -0.281 1.00 11.29 H new ATOM 0 HA THR A 66 -6.325 -11.011 -2.386 1.00 9.99 H new ATOM 0 HB THR A 66 -6.351 -9.838 -0.289 1.00 9.92 H new ATOM 0 HG1 THR A 66 -4.821 -8.128 -0.797 1.00 10.85 H new ATOM 0 HG21 THR A 66 -4.328 -9.508 1.084 1.00 8.71 H new ATOM 0 HG22 THR A 66 -4.779 -11.226 0.971 1.00 8.71 H new ATOM 0 HG23 THR A 66 -3.424 -10.596 0.003 1.00 8.71 H new ATOM 1060 N LEU A 67 -4.264 -11.081 -3.768 1.00 8.72 N ATOM 1061 CA LEU A 67 -3.102 -11.195 -4.644 1.00 8.45 C ATOM 1062 C LEU A 67 -2.681 -9.816 -5.141 1.00 7.19 C ATOM 1063 O LEU A 67 -3.467 -9.111 -5.774 1.00 6.40 O ATOM 1064 CB LEU A 67 -3.413 -12.109 -5.836 1.00 8.71 C ATOM 1065 CG LEU A 67 -3.607 -13.594 -5.495 1.00 9.84 C ATOM 1066 CD1 LEU A 67 -4.894 -13.809 -4.709 1.00 10.06 C ATOM 1067 CD2 LEU A 67 -3.612 -14.434 -6.765 1.00 10.94 C ATOM 0 H LEU A 67 -5.105 -10.738 -4.232 1.00 8.72 H new ATOM 0 HA LEU A 67 -2.283 -11.633 -4.074 1.00 8.45 H new ATOM 0 HB2 LEU A 67 -4.317 -11.745 -6.325 1.00 8.71 H new ATOM 0 HB3 LEU A 67 -2.602 -12.023 -6.559 1.00 8.71 H new ATOM 0 HG LEU A 67 -2.772 -13.911 -4.870 1.00 9.84 H new ATOM 0 HD11 LEU A 67 -5.008 -14.869 -4.480 1.00 10.06 H new ATOM 0 HD12 LEU A 67 -4.853 -13.240 -3.780 1.00 10.06 H new ATOM 0 HD13 LEU A 67 -5.744 -13.473 -5.303 1.00 10.06 H new ATOM 0 HD21 LEU A 67 -3.750 -15.484 -6.506 1.00 10.94 H new ATOM 0 HD22 LEU A 67 -4.426 -14.109 -7.413 1.00 10.94 H new ATOM 0 HD23 LEU A 67 -2.663 -14.311 -7.286 1.00 10.94 H new ATOM 1079 N HIS A 68 -1.438 -9.435 -4.856 1.00 7.09 N ATOM 1080 CA HIS A 68 -0.930 -8.131 -5.264 1.00 5.99 C ATOM 1081 C HIS A 68 -0.416 -8.148 -6.699 1.00 5.70 C ATOM 1082 O HIS A 68 0.591 -8.787 -7.003 1.00 6.53 O ATOM 1083 CB HIS A 68 0.179 -7.665 -4.316 1.00 6.18 C ATOM 1084 CG HIS A 68 0.458 -6.194 -4.399 1.00 6.68 C ATOM 1085 ND1 HIS A 68 0.059 -5.410 -5.462 1.00 6.45 N ATOM 1086 CD2 HIS A 68 1.092 -5.362 -3.539 1.00 7.71 C ATOM 1087 CE1 HIS A 68 0.435 -4.161 -5.252 1.00 7.36 C ATOM 1088 NE2 HIS A 68 1.064 -4.105 -4.092 1.00 8.09 N ATOM 0 H HIS A 68 -0.767 -10.010 -4.346 1.00 7.09 H new ATOM 0 HA HIS A 68 -1.762 -7.429 -5.214 1.00 5.99 H new ATOM 0 HB2 HIS A 68 -0.099 -7.917 -3.293 1.00 6.18 H new ATOM 0 HB3 HIS A 68 1.093 -8.214 -4.542 1.00 6.18 H new ATOM 0 HD2 HIS A 68 1.537 -5.636 -2.594 1.00 7.71 H new ATOM 0 HE1 HIS A 68 0.258 -3.328 -5.916 1.00 7.36 H new ATOM 0 HE2 HIS A 68 1.464 -3.265 -3.675 1.00 8.09 H new ATOM 1097 N LEU A 69 -1.116 -7.434 -7.576 1.00 4.81 N ATOM 1098 CA LEU A 69 -0.733 -7.345 -8.980 1.00 4.96 C ATOM 1099 C LEU A 69 0.173 -6.136 -9.188 1.00 4.58 C ATOM 1100 O LEU A 69 -0.228 -5.000 -8.924 1.00 3.90 O ATOM 1101 CB LEU A 69 -1.978 -7.240 -9.867 1.00 4.80 C ATOM 1102 CG LEU A 69 -1.703 -7.079 -11.366 1.00 5.50 C ATOM 1103 CD1 LEU A 69 -0.930 -8.274 -11.906 1.00 6.70 C ATOM 1104 CD2 LEU A 69 -3.008 -6.898 -12.126 1.00 5.42 C ATOM 0 H LEU A 69 -1.956 -6.906 -7.336 1.00 4.81 H new ATOM 0 HA LEU A 69 -0.190 -8.248 -9.259 1.00 4.96 H new ATOM 0 HB2 LEU A 69 -2.585 -8.133 -9.720 1.00 4.80 H new ATOM 0 HB3 LEU A 69 -2.573 -6.391 -9.530 1.00 4.80 H new ATOM 0 HG LEU A 69 -1.091 -6.188 -11.509 1.00 5.50 H new ATOM 0 HD11 LEU A 69 -0.747 -8.137 -12.972 1.00 6.70 H new ATOM 0 HD12 LEU A 69 0.022 -8.359 -11.382 1.00 6.70 H new ATOM 0 HD13 LEU A 69 -1.511 -9.183 -11.752 1.00 6.70 H new ATOM 0 HD21 LEU A 69 -2.797 -6.785 -13.189 1.00 5.42 H new ATOM 0 HD22 LEU A 69 -3.642 -7.771 -11.973 1.00 5.42 H new ATOM 0 HD23 LEU A 69 -3.521 -6.008 -11.761 1.00 5.42 H new ATOM 1116 N VAL A 70 1.395 -6.382 -9.655 1.00 5.29 N ATOM 1117 CA VAL A 70 2.360 -5.308 -9.871 1.00 5.30 C ATOM 1118 C VAL A 70 3.020 -5.389 -11.243 1.00 6.23 C ATOM 1119 O VAL A 70 2.869 -6.373 -11.967 1.00 7.13 O ATOM 1120 CB VAL A 70 3.458 -5.326 -8.785 1.00 5.71 C ATOM 1121 CG1 VAL A 70 2.838 -5.227 -7.399 1.00 5.73 C ATOM 1122 CG2 VAL A 70 4.314 -6.581 -8.905 1.00 5.32 C ATOM 0 H VAL A 70 1.739 -7.313 -9.890 1.00 5.29 H new ATOM 0 HA VAL A 70 1.798 -4.376 -9.814 1.00 5.30 H new ATOM 0 HB VAL A 70 4.103 -4.460 -8.935 1.00 5.71 H new ATOM 0 HG11 VAL A 70 3.626 -5.241 -6.646 1.00 5.73 H new ATOM 0 HG12 VAL A 70 2.275 -4.297 -7.318 1.00 5.73 H new ATOM 0 HG13 VAL A 70 2.168 -6.072 -7.239 1.00 5.73 H new ATOM 0 HG21 VAL A 70 5.081 -6.574 -8.131 1.00 5.32 H new ATOM 0 HG22 VAL A 70 3.685 -7.463 -8.784 1.00 5.32 H new ATOM 0 HG23 VAL A 70 4.789 -6.605 -9.886 1.00 5.32 H new ATOM 1132 N LEU A 71 3.748 -4.329 -11.587 1.00 6.27 N ATOM 1133 CA LEU A 71 4.459 -4.246 -12.860 1.00 7.40 C ATOM 1134 C LEU A 71 5.930 -3.918 -12.622 1.00 8.31 C ATOM 1135 O LEU A 71 6.256 -3.034 -11.831 1.00 8.22 O ATOM 1136 CB LEU A 71 3.828 -3.180 -13.762 1.00 7.48 C ATOM 1137 CG LEU A 71 2.383 -3.453 -14.195 1.00 7.46 C ATOM 1138 CD1 LEU A 71 1.406 -3.118 -13.075 1.00 6.63 C ATOM 1139 CD2 LEU A 71 2.046 -2.663 -15.453 1.00 8.16 C ATOM 0 H LEU A 71 3.861 -3.507 -10.994 1.00 6.27 H new ATOM 0 HA LEU A 71 4.385 -5.213 -13.357 1.00 7.40 H new ATOM 0 HB2 LEU A 71 3.858 -2.223 -13.240 1.00 7.48 H new ATOM 0 HB3 LEU A 71 4.443 -3.075 -14.656 1.00 7.48 H new ATOM 0 HG LEU A 71 2.290 -4.516 -14.417 1.00 7.46 H new ATOM 0 HD11 LEU A 71 0.388 -3.320 -13.408 1.00 6.63 H new ATOM 0 HD12 LEU A 71 1.631 -3.730 -12.201 1.00 6.63 H new ATOM 0 HD13 LEU A 71 1.499 -2.064 -12.814 1.00 6.63 H new ATOM 0 HD21 LEU A 71 1.017 -2.868 -15.747 1.00 8.16 H new ATOM 0 HD22 LEU A 71 2.161 -1.597 -15.255 1.00 8.16 H new ATOM 0 HD23 LEU A 71 2.719 -2.957 -16.259 1.00 8.16 H new ATOM 1151 N ARG A 72 6.812 -4.638 -13.309 1.00 9.27 N ATOM 1152 CA ARG A 72 8.251 -4.425 -13.168 1.00 10.25 C ATOM 1153 C ARG A 72 8.696 -3.168 -13.914 1.00 11.32 C ATOM 1154 O ARG A 72 9.243 -3.247 -15.016 1.00 12.10 O ATOM 1155 CB ARG A 72 9.018 -5.647 -13.682 1.00 10.86 C ATOM 1156 CG ARG A 72 10.509 -5.608 -13.380 1.00 11.89 C ATOM 1157 CD ARG A 72 11.196 -6.906 -13.775 1.00 12.56 C ATOM 1158 NE ARG A 72 10.981 -7.237 -15.182 1.00 13.15 N ATOM 1159 CZ ARG A 72 11.137 -8.458 -15.688 1.00 13.62 C ATOM 1160 NH1 ARG A 72 11.512 -9.463 -14.905 1.00 13.61 N ATOM 1161 NH2 ARG A 72 10.920 -8.677 -16.977 1.00 14.22 N ATOM 0 H ARG A 72 6.557 -5.373 -13.968 1.00 9.27 H new ATOM 0 HA ARG A 72 8.472 -4.286 -12.110 1.00 10.25 H new ATOM 0 HB2 ARG A 72 8.590 -6.546 -13.238 1.00 10.86 H new ATOM 0 HB3 ARG A 72 8.877 -5.726 -14.760 1.00 10.86 H new ATOM 0 HG2 ARG A 72 10.967 -4.776 -13.915 1.00 11.89 H new ATOM 0 HG3 ARG A 72 10.660 -5.425 -12.316 1.00 11.89 H new ATOM 0 HD2 ARG A 72 12.266 -6.823 -13.582 1.00 12.56 H new ATOM 0 HD3 ARG A 72 10.822 -7.718 -13.151 1.00 12.56 H new ATOM 0 HE ARG A 72 10.695 -6.489 -15.813 1.00 13.15 H new ATOM 0 HH11 ARG A 72 11.681 -9.300 -13.912 1.00 13.61 H new ATOM 0 HH12 ARG A 72 11.631 -10.397 -15.296 1.00 13.61 H new ATOM 0 HH21 ARG A 72 10.633 -7.909 -17.584 1.00 14.22 H new ATOM 0 HH22 ARG A 72 11.040 -9.614 -17.362 1.00 14.22 H new ATOM 1175 N LEU A 73 8.447 -2.007 -13.308 1.00 11.45 N ATOM 1176 CA LEU A 73 8.822 -0.728 -13.905 1.00 12.57 C ATOM 1177 C LEU A 73 9.753 0.050 -12.978 1.00 13.68 C ATOM 1178 O LEU A 73 9.371 1.078 -12.415 1.00 13.63 O ATOM 1179 CB LEU A 73 7.574 0.106 -14.216 1.00 12.50 C ATOM 1180 CG LEU A 73 6.515 -0.589 -15.077 1.00 12.30 C ATOM 1181 CD1 LEU A 73 5.311 0.321 -15.278 1.00 11.49 C ATOM 1182 CD2 LEU A 73 7.102 -1.005 -16.420 1.00 12.81 C ATOM 0 H LEU A 73 7.986 -1.927 -12.402 1.00 11.45 H new ATOM 0 HA LEU A 73 9.350 -0.932 -14.836 1.00 12.57 H new ATOM 0 HB2 LEU A 73 7.113 0.404 -13.274 1.00 12.50 H new ATOM 0 HB3 LEU A 73 7.886 1.020 -14.721 1.00 12.50 H new ATOM 0 HG LEU A 73 6.185 -1.488 -14.556 1.00 12.30 H new ATOM 0 HD11 LEU A 73 4.568 -0.188 -15.892 1.00 11.49 H new ATOM 0 HD12 LEU A 73 4.875 0.566 -14.310 1.00 11.49 H new ATOM 0 HD13 LEU A 73 5.627 1.237 -15.776 1.00 11.49 H new ATOM 0 HD21 LEU A 73 6.333 -1.497 -17.016 1.00 12.81 H new ATOM 0 HD22 LEU A 73 7.462 -0.122 -16.949 1.00 12.81 H new ATOM 0 HD23 LEU A 73 7.931 -1.694 -16.257 1.00 12.81 H new ATOM 1194 N ARG A 74 10.974 -0.459 -12.818 1.00 14.71 N ATOM 1195 CA ARG A 74 11.983 0.174 -11.966 1.00 15.86 C ATOM 1196 C ARG A 74 11.631 0.041 -10.481 1.00 16.72 C ATOM 1197 O ARG A 74 12.495 0.195 -9.618 1.00 17.60 O ATOM 1198 CB ARG A 74 12.153 1.652 -12.346 1.00 16.64 C ATOM 1199 CG ARG A 74 13.421 2.293 -11.794 1.00 16.74 C ATOM 1200 CD ARG A 74 13.148 3.092 -10.528 1.00 17.43 C ATOM 1201 NE ARG A 74 14.360 3.723 -10.008 1.00 18.56 N ATOM 1202 CZ ARG A 74 14.434 4.322 -8.822 1.00 18.96 C ATOM 1203 NH1 ARG A 74 13.371 4.371 -8.030 1.00 18.35 N ATOM 1204 NH2 ARG A 74 15.573 4.871 -8.427 1.00 20.03 N ATOM 0 H ARG A 74 11.291 -1.316 -13.271 1.00 14.71 H new ATOM 0 HA ARG A 74 12.928 -0.344 -12.130 1.00 15.86 H new ATOM 0 HB2 ARG A 74 12.158 1.739 -13.433 1.00 16.64 H new ATOM 0 HB3 ARG A 74 11.289 2.211 -11.985 1.00 16.64 H new ATOM 0 HG2 ARG A 74 14.157 1.518 -11.582 1.00 16.74 H new ATOM 0 HG3 ARG A 74 13.856 2.947 -12.550 1.00 16.74 H new ATOM 0 HD2 ARG A 74 12.401 3.858 -10.736 1.00 17.43 H new ATOM 0 HD3 ARG A 74 12.727 2.434 -9.768 1.00 17.43 H new ATOM 0 HE ARG A 74 15.198 3.703 -10.589 1.00 18.56 H new ATOM 0 HH11 ARG A 74 12.492 3.948 -8.329 1.00 18.35 H new ATOM 0 HH12 ARG A 74 13.432 4.831 -7.122 1.00 18.35 H new ATOM 0 HH21 ARG A 74 16.393 4.835 -9.032 1.00 20.03 H new ATOM 0 HH22 ARG A 74 15.630 5.330 -7.518 1.00 20.03 H new ATOM 1218 N GLY A 75 10.365 -0.258 -10.189 1.00 16.49 N ATOM 1219 CA GLY A 75 9.933 -0.403 -8.809 1.00 17.34 C ATOM 1220 C GLY A 75 8.739 -1.327 -8.666 1.00 16.75 C ATOM 1221 O GLY A 75 7.673 -0.910 -8.213 1.00 16.31 O ATOM 0 H GLY A 75 9.632 -0.402 -10.884 1.00 16.49 H new ATOM 0 HA2 GLY A 75 10.760 -0.788 -8.212 1.00 17.34 H new ATOM 0 HA3 GLY A 75 9.679 0.578 -8.407 1.00 17.34 H new ATOM 1225 N GLY A 76 8.923 -2.587 -9.053 1.00 16.82 N ATOM 1226 CA GLY A 76 7.849 -3.559 -8.961 1.00 16.39 C ATOM 1227 C GLY A 76 8.192 -4.868 -9.649 1.00 16.87 C ATOM 1228 O GLY A 76 7.262 -5.547 -10.132 1.00 16.60 O ATOM 1229 OXT GLY A 76 9.391 -5.211 -9.707 1.00 17.60 O ATOM 0 H GLY A 76 9.798 -2.951 -9.429 1.00 16.82 H new ATOM 0 HA2 GLY A 76 7.625 -3.751 -7.912 1.00 16.39 H new ATOM 0 HA3 GLY A 76 6.946 -3.142 -9.408 1.00 16.39 H new TER 1233 GLY A 76 ATOM 1234 N ALA B 5 22.512 15.533 6.605 1.00 8.45 N ATOM 1235 CA ALA B 5 21.244 15.017 7.182 1.00 8.55 C ATOM 1236 C ALA B 5 20.365 14.392 6.103 1.00 8.21 C ATOM 1237 O ALA B 5 20.106 15.013 5.072 1.00 8.17 O ATOM 1238 CB ALA B 5 20.493 16.137 7.888 1.00 9.15 C ATOM 0 HA ALA B 5 21.492 14.243 7.908 1.00 8.55 H new ATOM 0 HB1 ALA B 5 19.566 15.746 8.306 1.00 9.15 H new ATOM 0 HB2 ALA B 5 21.111 16.540 8.690 1.00 9.15 H new ATOM 0 HB3 ALA B 5 20.264 16.928 7.174 1.00 9.15 H new ATOM 1244 N LYS B 6 19.907 13.163 6.343 1.00 8.14 N ATOM 1245 CA LYS B 6 19.053 12.461 5.388 1.00 7.96 C ATOM 1246 C LYS B 6 17.636 12.319 5.933 1.00 7.52 C ATOM 1247 O LYS B 6 17.363 12.650 7.087 1.00 7.55 O ATOM 1248 CB LYS B 6 19.628 11.076 5.074 1.00 8.42 C ATOM 1249 CG LYS B 6 21.042 11.107 4.514 1.00 9.06 C ATOM 1250 CD LYS B 6 21.101 11.818 3.168 1.00 9.58 C ATOM 1251 CE LYS B 6 22.513 11.822 2.599 1.00 10.19 C ATOM 1252 NZ LYS B 6 23.046 10.443 2.422 1.00 10.58 N ATOM 0 H LYS B 6 20.114 12.634 7.190 1.00 8.14 H new ATOM 0 HA LYS B 6 19.018 13.049 4.471 1.00 7.96 H new ATOM 0 HB2 LYS B 6 19.621 10.476 5.984 1.00 8.42 H new ATOM 0 HB3 LYS B 6 18.975 10.576 4.358 1.00 8.42 H new ATOM 0 HG2 LYS B 6 21.702 11.611 5.220 1.00 9.06 H new ATOM 0 HG3 LYS B 6 21.412 10.088 4.403 1.00 9.06 H new ATOM 0 HD2 LYS B 6 20.427 11.327 2.466 1.00 9.58 H new ATOM 0 HD3 LYS B 6 20.751 12.844 3.282 1.00 9.58 H new ATOM 0 HE2 LYS B 6 22.516 12.338 1.639 1.00 10.19 H new ATOM 0 HE3 LYS B 6 23.170 12.382 3.264 1.00 10.19 H new ATOM 0 HZ1 LYS B 6 23.886 10.471 1.809 1.00 10.58 H new ATOM 0 HZ2 LYS B 6 23.307 10.050 3.349 1.00 10.58 H new ATOM 0 HZ3 LYS B 6 22.318 9.843 1.984 1.00 10.58 H new ATOM 1266 N GLU B 7 16.744 11.818 5.083 1.00 7.18 N ATOM 1267 CA GLU B 7 15.357 11.575 5.459 1.00 6.79 C ATOM 1268 C GLU B 7 15.171 10.084 5.717 1.00 6.27 C ATOM 1269 O GLU B 7 15.580 9.254 4.902 1.00 6.06 O ATOM 1270 CB GLU B 7 14.403 12.050 4.358 1.00 6.70 C ATOM 1271 CG GLU B 7 14.291 13.564 4.253 1.00 7.25 C ATOM 1272 CD GLU B 7 15.639 14.247 4.106 1.00 7.37 C ATOM 1273 OE1 GLU B 7 16.183 14.251 2.982 1.00 7.56 O ATOM 1274 OE2 GLU B 7 16.151 14.775 5.117 1.00 7.53 O ATOM 0 H GLU B 7 16.962 11.570 4.118 1.00 7.18 H new ATOM 0 HA GLU B 7 15.125 12.137 6.364 1.00 6.79 H new ATOM 0 HB2 GLU B 7 14.741 11.653 3.401 1.00 6.70 H new ATOM 0 HB3 GLU B 7 13.413 11.634 4.544 1.00 6.70 H new ATOM 0 HG2 GLU B 7 13.665 13.819 3.398 1.00 7.25 H new ATOM 0 HG3 GLU B 7 13.789 13.949 5.141 1.00 7.25 H new ATOM 1281 N TYR B 8 14.560 9.747 6.849 1.00 6.11 N ATOM 1282 CA TYR B 8 14.345 8.349 7.207 1.00 5.67 C ATOM 1283 C TYR B 8 12.876 8.054 7.481 1.00 5.23 C ATOM 1284 O TYR B 8 12.085 8.955 7.756 1.00 5.37 O ATOM 1285 CB TYR B 8 15.186 7.980 8.430 1.00 5.93 C ATOM 1286 CG TYR B 8 16.674 8.106 8.198 1.00 6.40 C ATOM 1287 CD1 TYR B 8 17.370 7.125 7.506 1.00 6.73 C ATOM 1288 CD2 TYR B 8 17.381 9.205 8.671 1.00 6.75 C ATOM 1289 CE1 TYR B 8 18.730 7.233 7.292 1.00 7.19 C ATOM 1290 CE2 TYR B 8 18.742 9.320 8.460 1.00 7.21 C ATOM 1291 CZ TYR B 8 19.410 8.332 7.771 1.00 7.34 C ATOM 1292 OH TYR B 8 20.764 8.442 7.559 1.00 7.84 O ATOM 0 H TYR B 8 14.207 10.419 7.531 1.00 6.11 H new ATOM 0 HA TYR B 8 14.655 7.742 6.356 1.00 5.67 H new ATOM 0 HB2 TYR B 8 14.901 8.621 9.264 1.00 5.93 H new ATOM 0 HB3 TYR B 8 14.957 6.955 8.723 1.00 5.93 H new ATOM 0 HD1 TYR B 8 16.840 6.263 7.129 1.00 6.73 H new ATOM 0 HD2 TYR B 8 16.859 9.981 9.212 1.00 6.75 H new ATOM 0 HE1 TYR B 8 19.258 6.461 6.752 1.00 7.19 H new ATOM 0 HE2 TYR B 8 19.279 10.180 8.833 1.00 7.21 H new ATOM 0 HH TYR B 8 21.091 9.275 7.959 1.00 7.84 H new ATOM 1302 N CYS B 9 12.534 6.780 7.402 1.00 4.73 N ATOM 1303 CA CYS B 9 11.167 6.335 7.641 1.00 4.31 C ATOM 1304 C CYS B 9 11.159 5.021 8.405 1.00 3.91 C ATOM 1305 O CYS B 9 12.045 4.186 8.224 1.00 3.80 O ATOM 1306 CB CYS B 9 10.417 6.177 6.316 1.00 4.13 C ATOM 1307 SG CYS B 9 10.611 7.573 5.185 1.00 4.61 S ATOM 0 H CYS B 9 13.186 6.030 7.173 1.00 4.73 H new ATOM 0 HA CYS B 9 10.662 7.091 8.242 1.00 4.31 H new ATOM 0 HB2 CYS B 9 10.765 5.271 5.820 1.00 4.13 H new ATOM 0 HB3 CYS B 9 9.356 6.038 6.526 1.00 4.13 H new ATOM 0 HG CYS B 9 9.942 7.344 4.094 1.00 4.61 H new ATOM 1313 N ARG B 10 10.155 4.842 9.259 1.00 3.77 N ATOM 1314 CA ARG B 10 10.041 3.621 10.046 1.00 3.48 C ATOM 1315 C ARG B 10 9.017 2.683 9.417 1.00 3.02 C ATOM 1316 O ARG B 10 7.917 3.104 9.057 1.00 3.04 O ATOM 1317 CB ARG B 10 9.652 3.947 11.489 1.00 3.74 C ATOM 1318 CG ARG B 10 9.558 2.724 12.389 1.00 3.64 C ATOM 1319 CD ARG B 10 9.196 3.108 13.816 1.00 3.85 C ATOM 1320 NE ARG B 10 7.894 3.770 13.895 1.00 3.92 N ATOM 1321 CZ ARG B 10 6.732 3.120 13.929 1.00 4.05 C ATOM 1322 NH1 ARG B 10 6.706 1.795 13.871 1.00 4.22 N ATOM 1323 NH2 ARG B 10 5.595 3.798 14.019 1.00 4.43 N ATOM 0 H ARG B 10 9.414 5.523 9.422 1.00 3.77 H new ATOM 0 HA ARG B 10 11.010 3.123 10.057 1.00 3.48 H new ATOM 0 HB2 ARG B 10 10.384 4.638 11.906 1.00 3.74 H new ATOM 0 HB3 ARG B 10 8.691 4.462 11.489 1.00 3.74 H new ATOM 0 HG2 ARG B 10 8.809 2.038 11.995 1.00 3.64 H new ATOM 0 HG3 ARG B 10 10.510 2.194 12.384 1.00 3.64 H new ATOM 0 HD2 ARG B 10 9.186 2.214 14.440 1.00 3.85 H new ATOM 0 HD3 ARG B 10 9.963 3.769 14.219 1.00 3.85 H new ATOM 0 HE ARG B 10 7.875 4.789 13.926 1.00 3.92 H new ATOM 0 HH11 ARG B 10 7.578 1.270 13.800 1.00 4.22 H new ATOM 0 HH12 ARG B 10 5.814 1.301 13.897 1.00 4.22 H new ATOM 0 HH21 ARG B 10 5.611 4.817 14.062 1.00 4.43 H new ATOM 0 HH22 ARG B 10 4.705 3.300 14.045 1.00 4.43 H new ATOM 1337 N THR B 11 9.382 1.410 9.291 1.00 2.72 N ATOM 1338 CA THR B 11 8.501 0.414 8.697 1.00 2.35 C ATOM 1339 C THR B 11 7.370 0.047 9.654 1.00 2.40 C ATOM 1340 O THR B 11 7.621 -0.310 10.807 1.00 2.57 O ATOM 1341 CB THR B 11 9.285 -0.858 8.331 1.00 2.15 C ATOM 1342 OG1 THR B 11 10.539 -0.503 7.736 1.00 2.48 O ATOM 1343 CG2 THR B 11 8.493 -1.727 7.368 1.00 2.15 C ATOM 0 H THR B 11 10.285 1.045 9.594 1.00 2.72 H new ATOM 0 HA THR B 11 8.077 0.849 7.792 1.00 2.35 H new ATOM 0 HB THR B 11 9.460 -1.425 9.245 1.00 2.15 H new ATOM 0 HG1 THR B 11 11.158 -0.201 8.433 1.00 2.48 H new ATOM 0 HG21 THR B 11 9.069 -2.620 7.125 1.00 2.15 H new ATOM 0 HG22 THR B 11 7.551 -2.019 7.832 1.00 2.15 H new ATOM 0 HG23 THR B 11 8.290 -1.167 6.455 1.00 2.15 H new ATOM 1351 N LEU B 12 6.130 0.135 9.178 1.00 2.42 N ATOM 1352 CA LEU B 12 4.975 -0.174 10.019 1.00 2.61 C ATOM 1353 C LEU B 12 4.493 -1.612 9.830 1.00 2.57 C ATOM 1354 O LEU B 12 3.829 -2.157 10.712 1.00 2.79 O ATOM 1355 CB LEU B 12 3.832 0.796 9.705 1.00 2.93 C ATOM 1356 CG LEU B 12 4.185 2.282 9.826 1.00 3.34 C ATOM 1357 CD1 LEU B 12 3.084 3.144 9.221 1.00 3.72 C ATOM 1358 CD2 LEU B 12 4.420 2.660 11.282 1.00 3.78 C ATOM 0 H LEU B 12 5.900 0.415 8.224 1.00 2.42 H new ATOM 0 HA LEU B 12 5.287 -0.063 11.058 1.00 2.61 H new ATOM 0 HB2 LEU B 12 3.482 0.604 8.691 1.00 2.93 H new ATOM 0 HB3 LEU B 12 3.000 0.581 10.375 1.00 2.93 H new ATOM 0 HG LEU B 12 5.106 2.462 9.272 1.00 3.34 H new ATOM 0 HD11 LEU B 12 3.352 4.196 9.316 1.00 3.72 H new ATOM 0 HD12 LEU B 12 2.964 2.894 8.167 1.00 3.72 H new ATOM 0 HD13 LEU B 12 2.147 2.959 9.747 1.00 3.72 H new ATOM 0 HD21 LEU B 12 4.669 3.719 11.347 1.00 3.78 H new ATOM 0 HD22 LEU B 12 3.516 2.464 11.859 1.00 3.78 H new ATOM 0 HD23 LEU B 12 5.243 2.068 11.683 1.00 3.78 H new ATOM 1370 N PHE B 13 4.815 -2.236 8.696 1.00 2.42 N ATOM 1371 CA PHE B 13 4.387 -3.613 8.443 1.00 2.54 C ATOM 1372 C PHE B 13 5.462 -4.410 7.709 1.00 2.25 C ATOM 1373 O PHE B 13 6.292 -3.841 6.998 1.00 1.97 O ATOM 1374 CB PHE B 13 3.094 -3.616 7.621 1.00 2.93 C ATOM 1375 CG PHE B 13 1.963 -2.872 8.275 1.00 3.43 C ATOM 1376 CD1 PHE B 13 1.175 -3.489 9.235 1.00 3.98 C ATOM 1377 CD2 PHE B 13 1.688 -1.558 7.931 1.00 3.89 C ATOM 1378 CE1 PHE B 13 0.135 -2.808 9.839 1.00 4.67 C ATOM 1379 CE2 PHE B 13 0.648 -0.873 8.532 1.00 4.60 C ATOM 1380 CZ PHE B 13 -0.129 -1.500 9.487 1.00 4.88 C ATOM 0 H PHE B 13 5.364 -1.816 7.946 1.00 2.42 H new ATOM 0 HA PHE B 13 4.212 -4.089 9.408 1.00 2.54 H new ATOM 0 HB2 PHE B 13 3.293 -3.173 6.645 1.00 2.93 H new ATOM 0 HB3 PHE B 13 2.787 -4.647 7.447 1.00 2.93 H new ATOM 0 HD1 PHE B 13 1.376 -4.513 9.514 1.00 3.98 H new ATOM 0 HD2 PHE B 13 2.293 -1.064 7.185 1.00 3.89 H new ATOM 0 HE1 PHE B 13 -0.471 -3.299 10.586 1.00 4.67 H new ATOM 0 HE2 PHE B 13 0.443 0.151 8.255 1.00 4.60 H new ATOM 0 HZ PHE B 13 -0.942 -0.967 9.957 1.00 4.88 H new ATOM 1390 N PRO B 14 5.456 -5.749 7.869 1.00 2.42 N ATOM 1391 CA PRO B 14 6.432 -6.623 7.219 1.00 2.31 C ATOM 1392 C PRO B 14 6.160 -6.813 5.728 1.00 2.34 C ATOM 1393 O PRO B 14 5.019 -7.016 5.308 1.00 2.77 O ATOM 1394 CB PRO B 14 6.287 -7.940 7.977 1.00 2.76 C ATOM 1395 CG PRO B 14 4.870 -7.947 8.441 1.00 3.11 C ATOM 1396 CD PRO B 14 4.511 -6.509 8.712 1.00 2.88 C ATOM 0 HA PRO B 14 7.438 -6.206 7.257 1.00 2.31 H new ATOM 0 HB2 PRO B 14 6.499 -8.794 7.334 1.00 2.76 H new ATOM 0 HB3 PRO B 14 6.980 -7.994 8.816 1.00 2.76 H new ATOM 0 HG2 PRO B 14 4.214 -8.376 7.683 1.00 3.11 H new ATOM 0 HG3 PRO B 14 4.758 -8.553 9.340 1.00 3.11 H new ATOM 0 HD2 PRO B 14 3.476 -6.297 8.444 1.00 2.88 H new ATOM 0 HD3 PRO B 14 4.625 -6.259 9.767 1.00 2.88 H new ATOM 1404 N TYR B 15 7.226 -6.742 4.947 1.00 2.05 N ATOM 1405 CA TYR B 15 7.167 -6.898 3.500 1.00 2.18 C ATOM 1406 C TYR B 15 8.349 -7.731 3.020 1.00 2.20 C ATOM 1407 O TYR B 15 9.495 -7.442 3.362 1.00 2.06 O ATOM 1408 CB TYR B 15 7.188 -5.530 2.813 1.00 2.12 C ATOM 1409 CG TYR B 15 7.119 -5.617 1.302 1.00 2.49 C ATOM 1410 CD1 TYR B 15 6.015 -6.177 0.669 1.00 2.50 C ATOM 1411 CD2 TYR B 15 8.160 -5.148 0.509 1.00 3.05 C ATOM 1412 CE1 TYR B 15 5.950 -6.265 -0.708 1.00 2.98 C ATOM 1413 CE2 TYR B 15 8.101 -5.233 -0.870 1.00 3.52 C ATOM 1414 CZ TYR B 15 6.995 -5.792 -1.472 1.00 3.45 C ATOM 1415 OH TYR B 15 6.932 -5.880 -2.843 1.00 4.00 O ATOM 0 H TYR B 15 8.167 -6.573 5.302 1.00 2.05 H new ATOM 0 HA TYR B 15 6.238 -7.406 3.243 1.00 2.18 H new ATOM 0 HB2 TYR B 15 6.348 -4.937 3.175 1.00 2.12 H new ATOM 0 HB3 TYR B 15 8.098 -5.002 3.098 1.00 2.12 H new ATOM 0 HD1 TYR B 15 5.194 -6.550 1.264 1.00 2.50 H new ATOM 0 HD2 TYR B 15 9.029 -4.710 0.978 1.00 3.05 H new ATOM 0 HE1 TYR B 15 5.085 -6.702 -1.184 1.00 2.98 H new ATOM 0 HE2 TYR B 15 8.918 -4.863 -1.472 1.00 3.52 H new ATOM 0 HH TYR B 15 6.614 -5.029 -3.211 1.00 4.00 H new ATOM 1425 N THR B 16 8.069 -8.759 2.231 1.00 2.62 N ATOM 1426 CA THR B 16 9.115 -9.631 1.712 1.00 2.82 C ATOM 1427 C THR B 16 9.275 -9.441 0.210 1.00 2.71 C ATOM 1428 O THR B 16 8.327 -9.627 -0.555 1.00 3.05 O ATOM 1429 CB THR B 16 8.807 -11.114 2.002 1.00 3.44 C ATOM 1430 OG1 THR B 16 8.550 -11.295 3.400 1.00 3.72 O ATOM 1431 CG2 THR B 16 9.968 -12.004 1.575 1.00 3.82 C ATOM 0 H THR B 16 7.126 -9.010 1.936 1.00 2.62 H new ATOM 0 HA THR B 16 10.042 -9.359 2.217 1.00 2.82 H new ATOM 0 HB THR B 16 7.924 -11.398 1.429 1.00 3.44 H new ATOM 0 HG1 THR B 16 8.353 -12.239 3.577 1.00 3.72 H new ATOM 0 HG21 THR B 16 9.727 -13.045 1.790 1.00 3.82 H new ATOM 0 HG22 THR B 16 10.143 -11.885 0.506 1.00 3.82 H new ATOM 0 HG23 THR B 16 10.866 -11.719 2.124 1.00 3.82 H new ATOM 1439 N GLY B 17 10.486 -9.062 -0.205 1.00 2.63 N ATOM 1440 CA GLY B 17 10.761 -8.854 -1.613 1.00 2.64 C ATOM 1441 C GLY B 17 10.417 -10.062 -2.457 1.00 2.86 C ATOM 1442 O GLY B 17 10.840 -11.180 -2.156 1.00 3.22 O ATOM 0 H GLY B 17 11.280 -8.896 0.414 1.00 2.63 H new ATOM 0 HA2 GLY B 17 10.193 -7.994 -1.967 1.00 2.64 H new ATOM 0 HA3 GLY B 17 11.816 -8.614 -1.742 1.00 2.64 H new ATOM 1446 N THR B 18 9.645 -9.832 -3.516 1.00 2.97 N ATOM 1447 CA THR B 18 9.241 -10.900 -4.423 1.00 3.40 C ATOM 1448 C THR B 18 10.056 -10.849 -5.709 1.00 3.24 C ATOM 1449 O THR B 18 10.194 -11.847 -6.416 1.00 3.53 O ATOM 1450 CB THR B 18 7.742 -10.801 -4.767 1.00 4.01 C ATOM 1451 OG1 THR B 18 7.389 -11.810 -5.721 1.00 4.37 O ATOM 1452 CG2 THR B 18 7.403 -9.422 -5.322 1.00 4.64 C ATOM 0 H THR B 18 9.286 -8.911 -3.767 1.00 2.97 H new ATOM 0 HA THR B 18 9.424 -11.847 -3.915 1.00 3.40 H new ATOM 0 HB THR B 18 7.170 -10.955 -3.852 1.00 4.01 H new ATOM 0 HG1 THR B 18 8.129 -12.446 -5.813 1.00 4.37 H new ATOM 0 HG21 THR B 18 6.340 -9.376 -5.558 1.00 4.64 H new ATOM 0 HG22 THR B 18 7.643 -8.662 -4.579 1.00 4.64 H new ATOM 0 HG23 THR B 18 7.983 -9.241 -6.227 1.00 4.64 H new ATOM 1460 N ASN B 19 10.588 -9.661 -5.995 1.00 2.97 N ATOM 1461 CA ASN B 19 11.408 -9.436 -7.178 1.00 2.95 C ATOM 1462 C ASN B 19 12.802 -8.970 -6.762 1.00 2.53 C ATOM 1463 O ASN B 19 12.996 -8.480 -5.649 1.00 2.37 O ATOM 1464 CB ASN B 19 10.741 -8.411 -8.096 1.00 3.31 C ATOM 1465 CG ASN B 19 9.316 -8.802 -8.446 1.00 3.62 C ATOM 1466 OD1 ASN B 19 8.459 -7.808 -8.638 1.00 3.98 O flip ATOM 1467 ND2 ASN B 19 8.990 -9.986 -8.542 1.00 4.05 N flip ATOM 0 H ASN B 19 10.462 -8.832 -5.414 1.00 2.97 H new ATOM 0 HA ASN B 19 11.507 -10.371 -7.729 1.00 2.95 H new ATOM 0 HB2 ASN B 19 10.740 -7.435 -7.610 1.00 3.31 H new ATOM 0 HB3 ASN B 19 11.324 -8.310 -9.011 1.00 3.31 H new ATOM 0 HD21 ASN B 19 9.681 -10.720 -8.386 1.00 4.05 H new ATOM 0 HD22 ASN B 19 8.029 -10.233 -8.777 1.00 4.05 H new ATOM 1474 N GLU B 20 13.767 -9.129 -7.661 1.00 2.59 N ATOM 1475 CA GLU B 20 15.153 -8.769 -7.372 1.00 2.51 C ATOM 1476 C GLU B 20 15.316 -7.280 -7.065 1.00 2.43 C ATOM 1477 O GLU B 20 16.215 -6.898 -6.313 1.00 2.58 O ATOM 1478 CB GLU B 20 16.057 -9.173 -8.539 1.00 2.89 C ATOM 1479 CG GLU B 20 15.984 -10.654 -8.883 1.00 3.34 C ATOM 1480 CD GLU B 20 16.844 -11.022 -10.078 1.00 3.79 C ATOM 1481 OE1 GLU B 20 16.344 -10.937 -11.219 1.00 4.26 O ATOM 1482 OE2 GLU B 20 18.019 -11.394 -9.872 1.00 4.19 O ATOM 0 H GLU B 20 13.616 -9.505 -8.597 1.00 2.59 H new ATOM 0 HA GLU B 20 15.449 -9.315 -6.477 1.00 2.51 H new ATOM 0 HB2 GLU B 20 15.783 -8.590 -9.419 1.00 2.89 H new ATOM 0 HB3 GLU B 20 17.088 -8.916 -8.295 1.00 2.89 H new ATOM 0 HG2 GLU B 20 16.300 -11.239 -8.019 1.00 3.34 H new ATOM 0 HG3 GLU B 20 14.948 -10.924 -9.089 1.00 3.34 H new ATOM 1489 N ASP B 21 14.454 -6.440 -7.638 1.00 2.53 N ATOM 1490 CA ASP B 21 14.546 -4.998 -7.412 1.00 2.79 C ATOM 1491 C ASP B 21 13.788 -4.574 -6.154 1.00 2.58 C ATOM 1492 O ASP B 21 13.797 -3.400 -5.783 1.00 2.78 O ATOM 1493 CB ASP B 21 14.028 -4.229 -8.632 1.00 3.35 C ATOM 1494 CG ASP B 21 12.535 -4.408 -8.847 1.00 3.78 C ATOM 1495 OD1 ASP B 21 12.094 -5.565 -9.014 1.00 4.18 O ATOM 1496 OD2 ASP B 21 11.808 -3.392 -8.846 1.00 4.22 O ATOM 0 H ASP B 21 13.694 -6.728 -8.254 1.00 2.53 H new ATOM 0 HA ASP B 21 15.598 -4.755 -7.262 1.00 2.79 H new ATOM 0 HB2 ASP B 21 14.249 -3.169 -8.509 1.00 3.35 H new ATOM 0 HB3 ASP B 21 14.562 -4.564 -9.521 1.00 3.35 H new ATOM 1501 N GLU B 22 13.134 -5.533 -5.505 1.00 2.35 N ATOM 1502 CA GLU B 22 12.378 -5.256 -4.286 1.00 2.22 C ATOM 1503 C GLU B 22 13.255 -5.404 -3.044 1.00 1.84 C ATOM 1504 O GLU B 22 14.303 -6.050 -3.084 1.00 1.91 O ATOM 1505 CB GLU B 22 11.164 -6.184 -4.182 1.00 2.44 C ATOM 1506 CG GLU B 22 9.853 -5.524 -4.583 1.00 2.91 C ATOM 1507 CD GLU B 22 9.805 -5.157 -6.055 1.00 3.33 C ATOM 1508 OE1 GLU B 22 10.569 -4.261 -6.470 1.00 3.68 O ATOM 1509 OE2 GLU B 22 9.007 -5.769 -6.792 1.00 3.77 O ATOM 0 H GLU B 22 13.112 -6.509 -5.802 1.00 2.35 H new ATOM 0 HA GLU B 22 12.032 -4.224 -4.340 1.00 2.22 H new ATOM 0 HB2 GLU B 22 11.330 -7.056 -4.814 1.00 2.44 H new ATOM 0 HB3 GLU B 22 11.080 -6.545 -3.157 1.00 2.44 H new ATOM 0 HG2 GLU B 22 9.027 -6.198 -4.354 1.00 2.91 H new ATOM 0 HG3 GLU B 22 9.706 -4.625 -3.984 1.00 2.91 H new ATOM 1516 N LEU B 23 12.816 -4.799 -1.949 1.00 1.69 N ATOM 1517 CA LEU B 23 13.525 -4.887 -0.674 1.00 1.59 C ATOM 1518 C LEU B 23 12.635 -5.578 0.348 1.00 1.33 C ATOM 1519 O LEU B 23 11.431 -5.725 0.132 1.00 1.30 O ATOM 1520 CB LEU B 23 13.917 -3.498 -0.171 1.00 1.92 C ATOM 1521 CG LEU B 23 15.422 -3.273 -0.003 1.00 2.39 C ATOM 1522 CD1 LEU B 23 15.908 -3.885 1.303 1.00 3.13 C ATOM 1523 CD2 LEU B 23 16.186 -3.863 -1.183 1.00 2.61 C ATOM 0 H LEU B 23 11.965 -4.237 -1.916 1.00 1.69 H new ATOM 0 HA LEU B 23 14.438 -5.465 -0.818 1.00 1.59 H new ATOM 0 HB2 LEU B 23 13.529 -2.753 -0.866 1.00 1.92 H new ATOM 0 HB3 LEU B 23 13.429 -3.324 0.788 1.00 1.92 H new ATOM 0 HG LEU B 23 15.608 -2.199 0.026 1.00 2.39 H new ATOM 0 HD11 LEU B 23 16.980 -3.716 1.407 1.00 3.13 H new ATOM 0 HD12 LEU B 23 15.385 -3.421 2.139 1.00 3.13 H new ATOM 0 HD13 LEU B 23 15.708 -4.956 1.299 1.00 3.13 H new ATOM 0 HD21 LEU B 23 17.254 -3.694 -1.046 1.00 2.61 H new ATOM 0 HD22 LEU B 23 15.993 -4.934 -1.242 1.00 2.61 H new ATOM 0 HD23 LEU B 23 15.858 -3.384 -2.105 1.00 2.61 H new ATOM 1535 N THR B 24 13.230 -6.002 1.459 1.00 1.49 N ATOM 1536 CA THR B 24 12.480 -6.645 2.527 1.00 1.61 C ATOM 1537 C THR B 24 12.521 -5.786 3.792 1.00 1.73 C ATOM 1538 O THR B 24 13.597 -5.379 4.233 1.00 2.12 O ATOM 1539 CB THR B 24 13.015 -8.061 2.832 1.00 2.09 C ATOM 1540 OG1 THR B 24 12.833 -8.907 1.690 1.00 2.21 O ATOM 1541 CG2 THR B 24 12.312 -8.673 4.035 1.00 2.46 C ATOM 0 H THR B 24 14.229 -5.911 1.641 1.00 1.49 H new ATOM 0 HA THR B 24 11.448 -6.745 2.190 1.00 1.61 H new ATOM 0 HB THR B 24 14.077 -7.975 3.064 1.00 2.09 H new ATOM 0 HG1 THR B 24 13.176 -9.803 1.889 1.00 2.21 H new ATOM 0 HG21 THR B 24 12.712 -9.669 4.222 1.00 2.46 H new ATOM 0 HG22 THR B 24 12.477 -8.045 4.911 1.00 2.46 H new ATOM 0 HG23 THR B 24 11.243 -8.743 3.835 1.00 2.46 H new ATOM 1549 N PHE B 25 11.360 -5.511 4.367 1.00 1.59 N ATOM 1550 CA PHE B 25 11.290 -4.673 5.563 1.00 1.85 C ATOM 1551 C PHE B 25 10.424 -5.290 6.650 1.00 2.01 C ATOM 1552 O PHE B 25 9.322 -5.747 6.376 1.00 2.00 O ATOM 1553 CB PHE B 25 10.721 -3.293 5.222 1.00 1.77 C ATOM 1554 CG PHE B 25 11.266 -2.685 3.960 1.00 1.55 C ATOM 1555 CD1 PHE B 25 12.430 -1.934 3.981 1.00 1.69 C ATOM 1556 CD2 PHE B 25 10.602 -2.850 2.754 1.00 1.98 C ATOM 1557 CE1 PHE B 25 12.923 -1.361 2.825 1.00 2.12 C ATOM 1558 CE2 PHE B 25 11.089 -2.278 1.596 1.00 2.46 C ATOM 1559 CZ PHE B 25 12.250 -1.533 1.631 1.00 2.49 C ATOM 0 H PHE B 25 10.459 -5.851 4.031 1.00 1.59 H new ATOM 0 HA PHE B 25 12.311 -4.584 5.935 1.00 1.85 H new ATOM 0 HB2 PHE B 25 9.638 -3.373 5.132 1.00 1.77 H new ATOM 0 HB3 PHE B 25 10.923 -2.616 6.052 1.00 1.77 H new ATOM 0 HD1 PHE B 25 12.958 -1.795 4.913 1.00 1.69 H new ATOM 0 HD2 PHE B 25 9.693 -3.433 2.720 1.00 1.98 H new ATOM 0 HE1 PHE B 25 13.833 -0.780 2.855 1.00 2.12 H new ATOM 0 HE2 PHE B 25 10.562 -2.413 0.663 1.00 2.46 H new ATOM 0 HZ PHE B 25 12.632 -1.085 0.726 1.00 2.49 H new ATOM 1569 N ARG B 26 10.917 -5.296 7.881 1.00 2.36 N ATOM 1570 CA ARG B 26 10.146 -5.834 8.997 1.00 2.64 C ATOM 1571 C ARG B 26 9.615 -4.692 9.857 1.00 2.55 C ATOM 1572 O ARG B 26 9.918 -3.530 9.600 1.00 2.38 O ATOM 1573 CB ARG B 26 10.993 -6.802 9.833 1.00 3.25 C ATOM 1574 CG ARG B 26 10.974 -8.235 9.317 1.00 3.51 C ATOM 1575 CD ARG B 26 11.276 -8.309 7.827 1.00 4.14 C ATOM 1576 NE ARG B 26 11.200 -9.679 7.320 1.00 4.69 N ATOM 1577 CZ ARG B 26 10.429 -10.055 6.301 1.00 5.47 C ATOM 1578 NH1 ARG B 26 9.655 -9.174 5.678 1.00 5.83 N ATOM 1579 NH2 ARG B 26 10.430 -11.320 5.902 1.00 6.21 N ATOM 0 H ARG B 26 11.839 -4.938 8.132 1.00 2.36 H new ATOM 0 HA ARG B 26 9.301 -6.396 8.600 1.00 2.64 H new ATOM 0 HB2 ARG B 26 12.023 -6.446 9.852 1.00 3.25 H new ATOM 0 HB3 ARG B 26 10.633 -6.791 10.862 1.00 3.25 H new ATOM 0 HG2 ARG B 26 11.707 -8.827 9.865 1.00 3.51 H new ATOM 0 HG3 ARG B 26 9.997 -8.677 9.511 1.00 3.51 H new ATOM 0 HD2 ARG B 26 10.571 -7.681 7.282 1.00 4.14 H new ATOM 0 HD3 ARG B 26 12.272 -7.907 7.638 1.00 4.14 H new ATOM 0 HE ARG B 26 11.773 -10.390 7.775 1.00 4.69 H new ATOM 0 HH11 ARG B 26 9.647 -8.199 5.979 1.00 5.83 H new ATOM 0 HH12 ARG B 26 9.068 -9.472 4.899 1.00 5.83 H new ATOM 0 HH21 ARG B 26 11.021 -12.004 6.375 1.00 6.21 H new ATOM 0 HH22 ARG B 26 9.840 -11.609 5.122 1.00 6.21 H new ATOM 1593 N GLU B 27 8.826 -5.020 10.874 1.00 2.79 N ATOM 1594 CA GLU B 27 8.264 -4.001 11.754 1.00 2.80 C ATOM 1595 C GLU B 27 9.291 -3.580 12.801 1.00 3.17 C ATOM 1596 O GLU B 27 9.991 -4.415 13.378 1.00 3.57 O ATOM 1597 CB GLU B 27 6.990 -4.522 12.426 1.00 3.01 C ATOM 1598 CG GLU B 27 7.199 -5.777 13.260 1.00 2.98 C ATOM 1599 CD GLU B 27 5.894 -6.349 13.783 1.00 3.49 C ATOM 1600 OE1 GLU B 27 5.453 -5.925 14.872 1.00 3.83 O ATOM 1601 OE2 GLU B 27 5.313 -7.219 13.101 1.00 3.87 O ATOM 0 H GLU B 27 8.562 -5.977 11.109 1.00 2.79 H new ATOM 0 HA GLU B 27 8.004 -3.127 11.156 1.00 2.80 H new ATOM 0 HB2 GLU B 27 6.581 -3.738 13.064 1.00 3.01 H new ATOM 0 HB3 GLU B 27 6.245 -4.729 11.658 1.00 3.01 H new ATOM 0 HG2 GLU B 27 7.707 -6.530 12.657 1.00 2.98 H new ATOM 0 HG3 GLU B 27 7.854 -5.547 14.100 1.00 2.98 H new ATOM 1608 N GLY B 28 9.376 -2.270 13.029 1.00 3.14 N ATOM 1609 CA GLY B 28 10.339 -1.725 13.973 1.00 3.60 C ATOM 1610 C GLY B 28 11.681 -1.473 13.309 1.00 3.75 C ATOM 1611 O GLY B 28 12.710 -1.360 13.973 1.00 4.23 O ATOM 0 H GLY B 28 8.790 -1.572 12.572 1.00 3.14 H new ATOM 0 HA2 GLY B 28 9.956 -0.793 14.389 1.00 3.60 H new ATOM 0 HA3 GLY B 28 10.467 -2.417 14.805 1.00 3.60 H new ATOM 1615 N GLU B 29 11.645 -1.384 11.981 1.00 3.41 N ATOM 1616 CA GLU B 29 12.837 -1.194 11.158 1.00 3.61 C ATOM 1617 C GLU B 29 13.051 0.251 10.702 1.00 3.65 C ATOM 1618 O GLU B 29 12.270 1.152 11.009 1.00 3.39 O ATOM 1619 CB GLU B 29 12.799 -2.137 9.953 1.00 3.33 C ATOM 1620 CG GLU B 29 12.801 -3.608 10.338 1.00 3.45 C ATOM 1621 CD GLU B 29 13.997 -3.989 11.191 1.00 3.74 C ATOM 1622 OE1 GLU B 29 15.078 -4.242 10.620 1.00 3.93 O ATOM 1623 OE2 GLU B 29 13.851 -4.031 12.431 1.00 4.19 O ATOM 0 H GLU B 29 10.781 -1.442 11.442 1.00 3.41 H new ATOM 0 HA GLU B 29 13.690 -1.435 11.793 1.00 3.61 H new ATOM 0 HB2 GLU B 29 11.908 -1.925 9.363 1.00 3.33 H new ATOM 0 HB3 GLU B 29 13.659 -1.935 9.315 1.00 3.33 H new ATOM 0 HG2 GLU B 29 11.884 -3.838 10.881 1.00 3.45 H new ATOM 0 HG3 GLU B 29 12.797 -4.216 9.433 1.00 3.45 H new ATOM 1630 N ILE B 30 14.128 0.421 9.966 1.00 4.10 N ATOM 1631 CA ILE B 30 14.532 1.736 9.467 1.00 4.32 C ATOM 1632 C ILE B 30 14.783 1.700 7.962 1.00 4.27 C ATOM 1633 O ILE B 30 15.410 0.772 7.450 1.00 4.58 O ATOM 1634 CB ILE B 30 15.803 2.243 10.180 1.00 4.94 C ATOM 1635 CG1 ILE B 30 15.581 2.299 11.697 1.00 5.06 C ATOM 1636 CG2 ILE B 30 16.208 3.614 9.644 1.00 5.23 C ATOM 1637 CD1 ILE B 30 14.592 3.359 12.138 1.00 4.81 C ATOM 0 H ILE B 30 14.752 -0.339 9.693 1.00 4.10 H new ATOM 0 HA ILE B 30 13.711 2.421 9.678 1.00 4.32 H new ATOM 0 HB ILE B 30 16.614 1.544 9.977 1.00 4.94 H new ATOM 0 HG12 ILE B 30 15.230 1.325 12.038 1.00 5.06 H new ATOM 0 HG13 ILE B 30 16.537 2.483 12.187 1.00 5.06 H new ATOM 0 HG21 ILE B 30 17.106 3.955 10.159 1.00 5.23 H new ATOM 0 HG22 ILE B 30 16.408 3.542 8.575 1.00 5.23 H new ATOM 0 HG23 ILE B 30 15.400 4.325 9.815 1.00 5.23 H new ATOM 0 HD11 ILE B 30 14.491 3.334 13.223 1.00 4.81 H new ATOM 0 HD12 ILE B 30 14.950 4.341 11.830 1.00 4.81 H new ATOM 0 HD13 ILE B 30 13.623 3.166 11.679 1.00 4.81 H new ATOM 1649 N ILE B 31 14.287 2.712 7.264 1.00 3.95 N ATOM 1650 CA ILE B 31 14.441 2.805 5.815 1.00 3.95 C ATOM 1651 C ILE B 31 14.899 4.199 5.397 1.00 4.46 C ATOM 1652 O ILE B 31 14.350 5.204 5.852 1.00 4.64 O ATOM 1653 CB ILE B 31 13.121 2.471 5.085 1.00 3.46 C ATOM 1654 CG1 ILE B 31 12.546 1.143 5.597 1.00 2.97 C ATOM 1655 CG2 ILE B 31 13.347 2.413 3.577 1.00 3.48 C ATOM 1656 CD1 ILE B 31 11.238 0.754 4.942 1.00 2.59 C ATOM 0 H ILE B 31 13.770 3.487 7.680 1.00 3.95 H new ATOM 0 HA ILE B 31 15.200 2.076 5.532 1.00 3.95 H new ATOM 0 HB ILE B 31 12.399 3.261 5.294 1.00 3.46 H new ATOM 0 HG12 ILE B 31 13.276 0.352 5.428 1.00 2.97 H new ATOM 0 HG13 ILE B 31 12.396 1.213 6.674 1.00 2.97 H new ATOM 0 HG21 ILE B 31 12.408 2.177 3.077 1.00 3.48 H new ATOM 0 HG22 ILE B 31 13.712 3.378 3.226 1.00 3.48 H new ATOM 0 HG23 ILE B 31 14.083 1.642 3.349 1.00 3.48 H new ATOM 0 HD11 ILE B 31 10.893 -0.194 5.354 1.00 2.59 H new ATOM 0 HD12 ILE B 31 10.492 1.525 5.133 1.00 2.59 H new ATOM 0 HD13 ILE B 31 11.386 0.650 3.867 1.00 2.59 H new ATOM 1668 N HIS B 32 15.904 4.255 4.527 1.00 4.75 N ATOM 1669 CA HIS B 32 16.418 5.527 4.030 1.00 5.28 C ATOM 1670 C HIS B 32 15.662 5.925 2.764 1.00 5.20 C ATOM 1671 O HIS B 32 15.577 5.148 1.818 1.00 5.08 O ATOM 1672 CB HIS B 32 17.918 5.416 3.742 1.00 5.69 C ATOM 1673 CG HIS B 32 18.497 6.633 3.092 1.00 6.15 C ATOM 1674 ND1 HIS B 32 18.286 6.950 1.766 1.00 6.55 N ATOM 1675 CD2 HIS B 32 19.286 7.616 3.590 1.00 6.53 C ATOM 1676 CE1 HIS B 32 18.920 8.072 1.478 1.00 7.12 C ATOM 1677 NE2 HIS B 32 19.534 8.497 2.566 1.00 7.14 N ATOM 0 H HIS B 32 16.378 3.434 4.152 1.00 4.75 H new ATOM 0 HA HIS B 32 16.270 6.295 4.789 1.00 5.28 H new ATOM 0 HB2 HIS B 32 18.446 5.228 4.677 1.00 5.69 H new ATOM 0 HB3 HIS B 32 18.093 4.553 3.099 1.00 5.69 H new ATOM 0 HD1 HIS B 32 17.728 6.403 1.111 1.00 6.55 H new ATOM 0 HD2 HIS B 32 19.652 7.692 4.603 1.00 6.53 H new ATOM 0 HE1 HIS B 32 18.934 8.560 0.514 1.00 7.12 H new ATOM 1686 N LEU B 33 15.114 7.137 2.757 1.00 5.34 N ATOM 1687 CA LEU B 33 14.349 7.634 1.614 1.00 5.40 C ATOM 1688 C LEU B 33 15.269 7.986 0.446 1.00 5.86 C ATOM 1689 O LEU B 33 15.925 9.029 0.447 1.00 6.33 O ATOM 1690 CB LEU B 33 13.525 8.860 2.030 1.00 5.56 C ATOM 1691 CG LEU B 33 12.428 9.290 1.048 1.00 5.46 C ATOM 1692 CD1 LEU B 33 11.633 10.458 1.616 1.00 5.60 C ATOM 1693 CD2 LEU B 33 13.025 9.655 -0.306 1.00 5.63 C ATOM 0 H LEU B 33 15.185 7.796 3.532 1.00 5.34 H new ATOM 0 HA LEU B 33 13.675 6.844 1.284 1.00 5.40 H new ATOM 0 HB2 LEU B 33 13.062 8.653 2.995 1.00 5.56 H new ATOM 0 HB3 LEU B 33 14.205 9.699 2.176 1.00 5.56 H new ATOM 0 HG LEU B 33 11.750 8.449 0.903 1.00 5.46 H new ATOM 0 HD11 LEU B 33 10.859 10.750 0.907 1.00 5.60 H new ATOM 0 HD12 LEU B 33 11.169 10.160 2.556 1.00 5.60 H new ATOM 0 HD13 LEU B 33 12.301 11.301 1.792 1.00 5.60 H new ATOM 0 HD21 LEU B 33 12.228 9.957 -0.986 1.00 5.63 H new ATOM 0 HD22 LEU B 33 13.728 10.479 -0.183 1.00 5.63 H new ATOM 0 HD23 LEU B 33 13.546 8.791 -0.719 1.00 5.63 H new ATOM 1705 N ILE B 34 15.318 7.096 -0.539 1.00 5.75 N ATOM 1706 CA ILE B 34 16.143 7.298 -1.728 1.00 6.18 C ATOM 1707 C ILE B 34 15.421 8.154 -2.770 1.00 6.46 C ATOM 1708 O ILE B 34 15.882 9.242 -3.119 1.00 6.97 O ATOM 1709 CB ILE B 34 16.542 5.944 -2.363 1.00 5.96 C ATOM 1710 CG1 ILE B 34 17.484 5.174 -1.430 1.00 5.72 C ATOM 1711 CG2 ILE B 34 17.189 6.149 -3.728 1.00 6.44 C ATOM 1712 CD1 ILE B 34 18.869 5.780 -1.316 1.00 6.06 C ATOM 0 H ILE B 34 14.793 6.222 -0.538 1.00 5.75 H new ATOM 0 HA ILE B 34 17.043 7.822 -1.407 1.00 6.18 H new ATOM 0 HB ILE B 34 15.636 5.356 -2.506 1.00 5.96 H new ATOM 0 HG12 ILE B 34 17.037 5.126 -0.437 1.00 5.72 H new ATOM 0 HG13 ILE B 34 17.575 4.149 -1.788 1.00 5.72 H new ATOM 0 HG21 ILE B 34 17.459 5.182 -4.151 1.00 6.44 H new ATOM 0 HG22 ILE B 34 16.486 6.652 -4.392 1.00 6.44 H new ATOM 0 HG23 ILE B 34 18.085 6.760 -3.618 1.00 6.44 H new ATOM 0 HD11 ILE B 34 19.475 5.178 -0.639 1.00 6.06 H new ATOM 0 HD12 ILE B 34 19.338 5.803 -2.300 1.00 6.06 H new ATOM 0 HD13 ILE B 34 18.791 6.795 -0.928 1.00 6.06 H new ATOM 1724 N SER B 35 14.289 7.654 -3.262 1.00 6.18 N ATOM 1725 CA SER B 35 13.511 8.370 -4.274 1.00 6.50 C ATOM 1726 C SER B 35 12.034 7.973 -4.255 1.00 6.25 C ATOM 1727 O SER B 35 11.672 6.869 -4.660 1.00 5.79 O ATOM 1728 CB SER B 35 14.095 8.115 -5.667 1.00 6.64 C ATOM 1729 OG SER B 35 13.350 8.794 -6.666 1.00 7.03 O ATOM 0 H SER B 35 13.890 6.759 -2.978 1.00 6.18 H new ATOM 0 HA SER B 35 13.572 9.432 -4.036 1.00 6.50 H new ATOM 0 HB2 SER B 35 15.133 8.446 -5.695 1.00 6.64 H new ATOM 0 HB3 SER B 35 14.096 7.045 -5.874 1.00 6.64 H new ATOM 0 HG SER B 35 12.770 8.156 -7.132 1.00 7.03 H new ATOM 1735 N LYS B 36 11.192 8.890 -3.785 1.00 6.58 N ATOM 1736 CA LYS B 36 9.748 8.659 -3.730 1.00 6.47 C ATOM 1737 C LYS B 36 9.140 8.539 -5.129 1.00 6.70 C ATOM 1738 O LYS B 36 7.921 8.432 -5.270 1.00 6.67 O ATOM 1739 CB LYS B 36 9.055 9.795 -2.972 1.00 6.78 C ATOM 1740 CG LYS B 36 9.329 9.795 -1.475 1.00 6.60 C ATOM 1741 CD LYS B 36 8.532 10.877 -0.759 1.00 6.92 C ATOM 1742 CE LYS B 36 8.962 12.275 -1.183 1.00 7.04 C ATOM 1743 NZ LYS B 36 10.370 12.568 -0.796 1.00 7.52 N ATOM 0 H LYS B 36 11.484 9.803 -3.436 1.00 6.58 H new ATOM 0 HA LYS B 36 9.591 7.716 -3.206 1.00 6.47 H new ATOM 0 HB2 LYS B 36 9.378 10.748 -3.391 1.00 6.78 H new ATOM 0 HB3 LYS B 36 7.980 9.724 -3.135 1.00 6.78 H new ATOM 0 HG2 LYS B 36 9.076 8.820 -1.058 1.00 6.60 H new ATOM 0 HG3 LYS B 36 10.394 9.950 -1.299 1.00 6.60 H new ATOM 0 HD2 LYS B 36 7.471 10.745 -0.969 1.00 6.92 H new ATOM 0 HD3 LYS B 36 8.660 10.769 0.318 1.00 6.92 H new ATOM 0 HE2 LYS B 36 8.855 12.375 -2.263 1.00 7.04 H new ATOM 0 HE3 LYS B 36 8.300 13.012 -0.727 1.00 7.04 H new ATOM 0 HZ1 LYS B 36 10.677 13.454 -1.247 1.00 7.52 H new ATOM 0 HZ2 LYS B 36 10.433 12.665 0.238 1.00 7.52 H new ATOM 0 HZ3 LYS B 36 10.985 11.790 -1.108 1.00 7.52 H new ATOM 1757 N GLU B 37 9.990 8.547 -6.164 1.00 7.01 N ATOM 1758 CA GLU B 37 9.520 8.430 -7.541 1.00 7.29 C ATOM 1759 C GLU B 37 10.146 7.216 -8.223 1.00 7.12 C ATOM 1760 O GLU B 37 11.302 7.262 -8.644 1.00 7.28 O ATOM 1761 CB GLU B 37 9.869 9.703 -8.320 1.00 7.94 C ATOM 1762 CG GLU B 37 8.942 9.982 -9.496 1.00 8.15 C ATOM 1763 CD GLU B 37 8.646 8.745 -10.323 1.00 8.62 C ATOM 1764 OE1 GLU B 37 9.551 8.282 -11.051 1.00 8.93 O ATOM 1765 OE2 GLU B 37 7.508 8.237 -10.239 1.00 8.92 O ATOM 0 H GLU B 37 11.002 8.633 -6.070 1.00 7.01 H new ATOM 0 HA GLU B 37 8.438 8.300 -7.528 1.00 7.29 H new ATOM 0 HB2 GLU B 37 9.841 10.553 -7.638 1.00 7.94 H new ATOM 0 HB3 GLU B 37 10.892 9.623 -8.688 1.00 7.94 H new ATOM 0 HG2 GLU B 37 8.005 10.396 -9.123 1.00 8.15 H new ATOM 0 HG3 GLU B 37 9.393 10.741 -10.135 1.00 8.15 H new ATOM 1772 N THR B 38 9.381 6.129 -8.319 1.00 6.83 N ATOM 1773 CA THR B 38 9.862 4.906 -8.954 1.00 6.67 C ATOM 1774 C THR B 38 9.135 4.645 -10.268 1.00 7.05 C ATOM 1775 O THR B 38 9.454 3.699 -10.988 1.00 7.02 O ATOM 1776 CB THR B 38 9.662 3.686 -8.033 1.00 6.06 C ATOM 1777 OG1 THR B 38 8.265 3.493 -7.770 1.00 5.92 O ATOM 1778 CG2 THR B 38 10.411 3.864 -6.718 1.00 5.76 C ATOM 0 H THR B 38 8.426 6.072 -7.965 1.00 6.83 H new ATOM 0 HA THR B 38 10.925 5.048 -9.148 1.00 6.67 H new ATOM 0 HB THR B 38 10.062 2.809 -8.542 1.00 6.06 H new ATOM 0 HG1 THR B 38 8.027 3.931 -6.926 1.00 5.92 H new ATOM 0 HG21 THR B 38 10.253 2.989 -6.088 1.00 5.76 H new ATOM 0 HG22 THR B 38 11.476 3.979 -6.919 1.00 5.76 H new ATOM 0 HG23 THR B 38 10.041 4.752 -6.206 1.00 5.76 H new ATOM 1786 N GLY B 39 8.151 5.491 -10.567 1.00 7.47 N ATOM 1787 CA GLY B 39 7.384 5.344 -11.791 1.00 7.90 C ATOM 1788 C GLY B 39 6.092 4.586 -11.564 1.00 7.94 C ATOM 1789 O GLY B 39 5.302 4.398 -12.490 1.00 8.42 O ATOM 0 H GLY B 39 7.872 6.277 -9.981 1.00 7.47 H new ATOM 0 HA2 GLY B 39 7.159 6.330 -12.198 1.00 7.90 H new ATOM 0 HA3 GLY B 39 7.985 4.821 -12.535 1.00 7.90 H new ATOM 1793 N GLU B 40 5.880 4.150 -10.322 1.00 7.48 N ATOM 1794 CA GLU B 40 4.682 3.407 -9.952 1.00 7.53 C ATOM 1795 C GLU B 40 4.015 4.026 -8.726 1.00 7.35 C ATOM 1796 O GLU B 40 4.626 4.132 -7.661 1.00 6.94 O ATOM 1797 CB GLU B 40 5.042 1.944 -9.674 1.00 7.20 C ATOM 1798 CG GLU B 40 5.422 1.166 -10.926 1.00 7.44 C ATOM 1799 CD GLU B 40 5.943 -0.227 -10.618 1.00 7.63 C ATOM 1800 OE1 GLU B 40 5.178 -1.036 -10.051 1.00 7.73 O ATOM 1801 OE2 GLU B 40 7.113 -0.511 -10.953 1.00 7.96 O ATOM 0 H GLU B 40 6.531 4.302 -9.551 1.00 7.48 H new ATOM 0 HA GLU B 40 3.977 3.452 -10.782 1.00 7.53 H new ATOM 0 HB2 GLU B 40 5.872 1.910 -8.968 1.00 7.20 H new ATOM 0 HB3 GLU B 40 4.195 1.454 -9.194 1.00 7.20 H new ATOM 0 HG2 GLU B 40 4.552 1.088 -11.578 1.00 7.44 H new ATOM 0 HG3 GLU B 40 6.183 1.720 -11.476 1.00 7.44 H new ATOM 1808 N ALA B 41 2.758 4.437 -8.887 1.00 7.70 N ATOM 1809 CA ALA B 41 1.995 5.041 -7.798 1.00 7.61 C ATOM 1810 C ALA B 41 1.895 4.092 -6.611 1.00 7.15 C ATOM 1811 O ALA B 41 1.598 2.910 -6.772 1.00 7.30 O ATOM 1812 CB ALA B 41 0.605 5.426 -8.279 1.00 8.20 C ATOM 0 H ALA B 41 2.245 4.362 -9.766 1.00 7.70 H new ATOM 0 HA ALA B 41 2.520 5.940 -7.474 1.00 7.61 H new ATOM 0 HB1 ALA B 41 0.047 5.875 -7.457 1.00 8.20 H new ATOM 0 HB2 ALA B 41 0.688 6.143 -9.096 1.00 8.20 H new ATOM 0 HB3 ALA B 41 0.082 4.536 -8.629 1.00 8.20 H new ATOM 1818 N GLY B 42 2.143 4.628 -5.417 1.00 6.68 N ATOM 1819 CA GLY B 42 2.095 3.823 -4.211 1.00 6.22 C ATOM 1820 C GLY B 42 3.416 3.134 -3.922 1.00 5.64 C ATOM 1821 O GLY B 42 3.525 2.393 -2.945 1.00 5.21 O ATOM 0 H GLY B 42 2.377 5.609 -5.265 1.00 6.68 H new ATOM 0 HA2 GLY B 42 1.826 4.456 -3.365 1.00 6.22 H new ATOM 0 HA3 GLY B 42 1.311 3.072 -4.309 1.00 6.22 H new ATOM 1825 N TRP B 43 4.425 3.371 -4.760 1.00 5.67 N ATOM 1826 CA TRP B 43 5.728 2.738 -4.572 1.00 5.17 C ATOM 1827 C TRP B 43 6.846 3.769 -4.458 1.00 5.12 C ATOM 1828 O TRP B 43 7.073 4.563 -5.373 1.00 5.51 O ATOM 1829 CB TRP B 43 6.026 1.781 -5.728 1.00 5.28 C ATOM 1830 CG TRP B 43 5.066 0.634 -5.813 1.00 5.31 C ATOM 1831 CD1 TRP B 43 3.848 0.629 -6.429 1.00 5.83 C ATOM 1832 CD2 TRP B 43 5.243 -0.678 -5.264 1.00 4.91 C ATOM 1833 NE1 TRP B 43 3.257 -0.604 -6.296 1.00 5.80 N ATOM 1834 CE2 TRP B 43 4.094 -1.422 -5.585 1.00 5.25 C ATOM 1835 CE3 TRP B 43 6.261 -1.296 -4.532 1.00 4.38 C ATOM 1836 CZ2 TRP B 43 3.933 -2.751 -5.200 1.00 5.10 C ATOM 1837 CZ3 TRP B 43 6.101 -2.614 -4.150 1.00 4.21 C ATOM 1838 CH2 TRP B 43 4.946 -3.330 -4.485 1.00 4.58 C ATOM 0 H TRP B 43 4.366 3.991 -5.568 1.00 5.67 H new ATOM 0 HA TRP B 43 5.687 2.179 -3.637 1.00 5.17 H new ATOM 0 HB2 TRP B 43 6.001 2.336 -6.666 1.00 5.28 H new ATOM 0 HB3 TRP B 43 7.038 1.391 -5.616 1.00 5.28 H new ATOM 0 HD1 TRP B 43 3.412 1.471 -6.946 1.00 5.83 H new ATOM 0 HE1 TRP B 43 2.344 -0.867 -6.666 1.00 5.80 H new ATOM 0 HE3 TRP B 43 7.157 -0.753 -4.270 1.00 4.38 H new ATOM 0 HZ2 TRP B 43 3.041 -3.304 -5.456 1.00 5.10 H new ATOM 0 HZ3 TRP B 43 6.881 -3.100 -3.583 1.00 4.21 H new ATOM 0 HH2 TRP B 43 4.852 -4.360 -4.173 1.00 4.58 H new ATOM 1849 N TRP B 44 7.539 3.740 -3.322 1.00 4.72 N ATOM 1850 CA TRP B 44 8.656 4.639 -3.059 1.00 4.75 C ATOM 1851 C TRP B 44 9.960 3.856 -3.106 1.00 4.41 C ATOM 1852 O TRP B 44 9.944 2.625 -3.074 1.00 3.96 O ATOM 1853 CB TRP B 44 8.504 5.281 -1.681 1.00 4.63 C ATOM 1854 CG TRP B 44 7.498 6.391 -1.621 1.00 5.05 C ATOM 1855 CD1 TRP B 44 6.687 6.834 -2.626 1.00 5.56 C ATOM 1856 CD2 TRP B 44 7.202 7.199 -0.480 1.00 5.06 C ATOM 1857 NE1 TRP B 44 5.910 7.875 -2.176 1.00 5.87 N ATOM 1858 CE2 TRP B 44 6.208 8.116 -0.861 1.00 5.57 C ATOM 1859 CE3 TRP B 44 7.687 7.235 0.830 1.00 4.73 C ATOM 1860 CZ2 TRP B 44 5.689 9.059 0.021 1.00 5.73 C ATOM 1861 CZ3 TRP B 44 7.173 8.170 1.705 1.00 4.91 C ATOM 1862 CH2 TRP B 44 6.182 9.072 1.298 1.00 5.40 C ATOM 0 H TRP B 44 7.341 3.092 -2.559 1.00 4.72 H new ATOM 0 HA TRP B 44 8.666 5.421 -3.818 1.00 4.75 H new ATOM 0 HB2 TRP B 44 8.220 4.511 -0.964 1.00 4.63 H new ATOM 0 HB3 TRP B 44 9.473 5.668 -1.365 1.00 4.63 H new ATOM 0 HD1 TRP B 44 6.660 6.427 -3.626 1.00 5.56 H new ATOM 0 HE1 TRP B 44 5.223 8.385 -2.731 1.00 5.87 H new ATOM 0 HE3 TRP B 44 8.451 6.543 1.152 1.00 4.73 H new ATOM 0 HZ2 TRP B 44 4.925 9.756 -0.291 1.00 5.73 H new ATOM 0 HZ3 TRP B 44 7.541 8.207 2.720 1.00 4.91 H new ATOM 0 HH2 TRP B 44 5.799 9.792 2.006 1.00 5.40 H new ATOM 1873 N LYS B 45 11.090 4.560 -3.166 1.00 4.69 N ATOM 1874 CA LYS B 45 12.388 3.896 -3.214 1.00 4.50 C ATOM 1875 C LYS B 45 13.225 4.246 -1.991 1.00 4.49 C ATOM 1876 O LYS B 45 13.344 5.413 -1.618 1.00 4.93 O ATOM 1877 CB LYS B 45 13.149 4.280 -4.489 1.00 4.91 C ATOM 1878 CG LYS B 45 14.416 3.467 -4.714 1.00 4.77 C ATOM 1879 CD LYS B 45 14.104 2.062 -5.208 1.00 5.23 C ATOM 1880 CE LYS B 45 15.363 1.214 -5.301 1.00 5.18 C ATOM 1881 NZ LYS B 45 15.111 -0.086 -5.980 1.00 5.33 N ATOM 0 H LYS B 45 11.132 5.579 -3.182 1.00 4.69 H new ATOM 0 HA LYS B 45 12.209 2.821 -3.219 1.00 4.50 H new ATOM 0 HB2 LYS B 45 12.489 4.153 -5.347 1.00 4.91 H new ATOM 0 HB3 LYS B 45 13.410 5.337 -4.441 1.00 4.91 H new ATOM 0 HG2 LYS B 45 15.050 3.975 -5.440 1.00 4.77 H new ATOM 0 HG3 LYS B 45 14.981 3.408 -3.783 1.00 4.77 H new ATOM 0 HD2 LYS B 45 13.393 1.587 -4.533 1.00 5.23 H new ATOM 0 HD3 LYS B 45 13.627 2.116 -6.187 1.00 5.23 H new ATOM 0 HE2 LYS B 45 16.131 1.764 -5.845 1.00 5.18 H new ATOM 0 HE3 LYS B 45 15.751 1.030 -4.299 1.00 5.18 H new ATOM 0 HZ1 LYS B 45 15.715 -0.821 -5.559 1.00 5.33 H new ATOM 0 HZ2 LYS B 45 14.112 -0.350 -5.864 1.00 5.33 H new ATOM 0 HZ3 LYS B 45 15.330 0.003 -6.993 1.00 5.33 H new ATOM 1895 N GLY B 46 13.786 3.216 -1.370 1.00 4.06 N ATOM 1896 CA GLY B 46 14.620 3.413 -0.200 1.00 4.14 C ATOM 1897 C GLY B 46 15.848 2.526 -0.230 1.00 4.03 C ATOM 1898 O GLY B 46 15.990 1.700 -1.131 1.00 3.73 O ATOM 0 H GLY B 46 13.677 2.243 -1.657 1.00 4.06 H new ATOM 0 HA2 GLY B 46 14.927 4.457 -0.144 1.00 4.14 H new ATOM 0 HA3 GLY B 46 14.041 3.202 0.699 1.00 4.14 H new ATOM 1902 N GLU B 47 16.737 2.691 0.749 1.00 4.35 N ATOM 1903 CA GLU B 47 17.949 1.879 0.817 1.00 4.42 C ATOM 1904 C GLU B 47 18.075 1.216 2.183 1.00 4.29 C ATOM 1905 O GLU B 47 17.871 1.848 3.220 1.00 4.48 O ATOM 1906 CB GLU B 47 19.190 2.722 0.512 1.00 5.05 C ATOM 1907 CG GLU B 47 20.483 1.918 0.485 1.00 5.29 C ATOM 1908 CD GLU B 47 21.704 2.788 0.255 1.00 5.65 C ATOM 1909 OE1 GLU B 47 22.016 3.075 -0.920 1.00 6.02 O ATOM 1910 OE2 GLU B 47 22.347 3.185 1.250 1.00 5.74 O ATOM 0 H GLU B 47 16.641 3.374 1.500 1.00 4.35 H new ATOM 0 HA GLU B 47 17.875 1.098 0.060 1.00 4.42 H new ATOM 0 HB2 GLU B 47 19.057 3.213 -0.452 1.00 5.05 H new ATOM 0 HB3 GLU B 47 19.277 3.509 1.261 1.00 5.05 H new ATOM 0 HG2 GLU B 47 20.594 1.384 1.428 1.00 5.29 H new ATOM 0 HG3 GLU B 47 20.423 1.166 -0.302 1.00 5.29 H new ATOM 1917 N LEU B 48 18.409 -0.067 2.157 1.00 4.02 N ATOM 1918 CA LEU B 48 18.594 -0.861 3.365 1.00 3.99 C ATOM 1919 C LEU B 48 19.914 -1.626 3.295 1.00 4.21 C ATOM 1920 O LEU B 48 20.566 -1.625 2.261 1.00 4.01 O ATOM 1921 CB LEU B 48 17.417 -1.815 3.606 1.00 3.43 C ATOM 1922 CG LEU B 48 16.524 -1.468 4.807 1.00 3.46 C ATOM 1923 CD1 LEU B 48 15.535 -2.592 5.083 1.00 3.78 C ATOM 1924 CD2 LEU B 48 17.363 -1.183 6.047 1.00 2.98 C ATOM 0 H LEU B 48 18.560 -0.589 1.294 1.00 4.02 H new ATOM 0 HA LEU B 48 18.629 -0.178 4.213 1.00 3.99 H new ATOM 0 HB2 LEU B 48 16.798 -1.836 2.709 1.00 3.43 H new ATOM 0 HB3 LEU B 48 17.810 -2.822 3.746 1.00 3.43 H new ATOM 0 HG LEU B 48 15.964 -0.566 4.560 1.00 3.46 H new ATOM 0 HD11 LEU B 48 14.912 -2.327 5.937 1.00 3.78 H new ATOM 0 HD12 LEU B 48 14.904 -2.745 4.207 1.00 3.78 H new ATOM 0 HD13 LEU B 48 16.080 -3.510 5.302 1.00 3.78 H new ATOM 0 HD21 LEU B 48 16.707 -0.940 6.883 1.00 2.98 H new ATOM 0 HD22 LEU B 48 17.956 -2.063 6.295 1.00 2.98 H new ATOM 0 HD23 LEU B 48 18.027 -0.341 5.851 1.00 2.98 H new ATOM 1936 N ASN B 49 20.277 -2.255 4.418 1.00 4.70 N ATOM 1937 CA ASN B 49 21.540 -3.006 4.584 1.00 5.05 C ATOM 1938 C ASN B 49 22.252 -3.389 3.270 1.00 5.24 C ATOM 1939 O ASN B 49 22.373 -4.571 2.942 1.00 5.39 O ATOM 1940 CB ASN B 49 21.246 -4.288 5.369 1.00 4.80 C ATOM 1941 CG ASN B 49 20.492 -4.020 6.659 1.00 4.86 C ATOM 1942 OD1 ASN B 49 19.169 -3.945 6.567 1.00 5.32 O flip ATOM 1943 ND2 ASN B 49 21.092 -3.878 7.725 1.00 4.62 N flip ATOM 0 H ASN B 49 19.695 -2.260 5.256 1.00 4.70 H new ATOM 0 HA ASN B 49 22.220 -2.335 5.109 1.00 5.05 H new ATOM 0 HB2 ASN B 49 20.663 -4.966 4.746 1.00 4.80 H new ATOM 0 HB3 ASN B 49 22.184 -4.793 5.599 1.00 4.80 H new ATOM 0 HD21 ASN B 49 22.110 -3.944 7.750 1.00 4.62 H new ATOM 0 HD22 ASN B 49 20.571 -3.695 8.583 1.00 4.62 H new ATOM 1950 N GLY B 50 22.716 -2.380 2.527 1.00 5.30 N ATOM 1951 CA GLY B 50 23.456 -2.625 1.292 1.00 5.53 C ATOM 1952 C GLY B 50 22.577 -2.865 0.071 1.00 5.10 C ATOM 1953 O GLY B 50 23.070 -2.853 -1.057 1.00 5.29 O ATOM 0 H GLY B 50 22.592 -1.394 2.759 1.00 5.30 H new ATOM 0 HA2 GLY B 50 24.105 -1.771 1.096 1.00 5.53 H new ATOM 0 HA3 GLY B 50 24.103 -3.491 1.435 1.00 5.53 H new ATOM 1957 N LYS B 51 21.281 -3.088 0.285 1.00 4.57 N ATOM 1958 CA LYS B 51 20.348 -3.329 -0.815 1.00 4.17 C ATOM 1959 C LYS B 51 19.200 -2.325 -0.799 1.00 3.96 C ATOM 1960 O LYS B 51 18.598 -2.076 0.243 1.00 3.78 O ATOM 1961 CB LYS B 51 19.780 -4.749 -0.723 1.00 3.78 C ATOM 1962 CG LYS B 51 20.799 -5.841 -1.026 1.00 4.06 C ATOM 1963 CD LYS B 51 21.639 -6.185 0.194 1.00 4.39 C ATOM 1964 CE LYS B 51 22.621 -7.306 -0.104 1.00 4.78 C ATOM 1965 NZ LYS B 51 21.928 -8.541 -0.565 1.00 5.33 N ATOM 0 H LYS B 51 20.853 -3.107 1.211 1.00 4.57 H new ATOM 0 HA LYS B 51 20.899 -3.211 -1.748 1.00 4.17 H new ATOM 0 HB2 LYS B 51 19.380 -4.906 0.279 1.00 3.78 H new ATOM 0 HB3 LYS B 51 18.945 -4.842 -1.417 1.00 3.78 H new ATOM 0 HG2 LYS B 51 20.281 -6.735 -1.374 1.00 4.06 H new ATOM 0 HG3 LYS B 51 21.451 -5.515 -1.836 1.00 4.06 H new ATOM 0 HD2 LYS B 51 22.184 -5.300 0.523 1.00 4.39 H new ATOM 0 HD3 LYS B 51 20.986 -6.481 1.015 1.00 4.39 H new ATOM 0 HE2 LYS B 51 23.326 -6.978 -0.868 1.00 4.78 H new ATOM 0 HE3 LYS B 51 23.202 -7.528 0.791 1.00 4.78 H new ATOM 0 HZ1 LYS B 51 22.573 -9.352 -0.483 1.00 5.33 H new ATOM 0 HZ2 LYS B 51 21.086 -8.707 0.023 1.00 5.33 H new ATOM 0 HZ3 LYS B 51 21.640 -8.427 -1.558 1.00 5.33 H new ATOM 1979 N GLU B 52 18.895 -1.769 -1.971 1.00 4.08 N ATOM 1980 CA GLU B 52 17.811 -0.797 -2.119 1.00 4.05 C ATOM 1981 C GLU B 52 16.623 -1.432 -2.839 1.00 3.71 C ATOM 1982 O GLU B 52 16.800 -2.287 -3.709 1.00 3.93 O ATOM 1983 CB GLU B 52 18.298 0.440 -2.880 1.00 4.59 C ATOM 1984 CG GLU B 52 18.868 0.135 -4.257 1.00 4.83 C ATOM 1985 CD GLU B 52 19.430 1.368 -4.939 1.00 5.32 C ATOM 1986 OE1 GLU B 52 20.629 1.659 -4.743 1.00 5.49 O ATOM 1987 OE2 GLU B 52 18.672 2.044 -5.665 1.00 5.79 O ATOM 0 H GLU B 52 19.388 -1.977 -2.839 1.00 4.08 H new ATOM 0 HA GLU B 52 17.489 -0.485 -1.125 1.00 4.05 H new ATOM 0 HB2 GLU B 52 17.467 1.138 -2.988 1.00 4.59 H new ATOM 0 HB3 GLU B 52 19.061 0.943 -2.285 1.00 4.59 H new ATOM 0 HG2 GLU B 52 19.654 -0.615 -4.164 1.00 4.83 H new ATOM 0 HG3 GLU B 52 18.087 -0.298 -4.882 1.00 4.83 H new ATOM 1994 N GLY B 53 15.412 -1.007 -2.476 1.00 3.32 N ATOM 1995 CA GLY B 53 14.218 -1.549 -3.102 1.00 3.12 C ATOM 1996 C GLY B 53 12.974 -0.731 -2.806 1.00 3.18 C ATOM 1997 O GLY B 53 13.044 0.298 -2.132 1.00 3.35 O ATOM 0 H GLY B 53 15.239 -0.300 -1.762 1.00 3.32 H new ATOM 0 HA2 GLY B 53 14.368 -1.595 -4.181 1.00 3.12 H new ATOM 0 HA3 GLY B 53 14.065 -2.572 -2.757 1.00 3.12 H new ATOM 2001 N VAL B 54 11.828 -1.195 -3.313 1.00 3.17 N ATOM 2002 CA VAL B 54 10.564 -0.485 -3.121 1.00 3.38 C ATOM 2003 C VAL B 54 9.585 -1.263 -2.241 1.00 3.02 C ATOM 2004 O VAL B 54 9.715 -2.476 -2.064 1.00 2.70 O ATOM 2005 CB VAL B 54 9.889 -0.190 -4.477 1.00 3.83 C ATOM 2006 CG1 VAL B 54 10.773 0.704 -5.337 1.00 4.30 C ATOM 2007 CG2 VAL B 54 9.569 -1.487 -5.210 1.00 3.70 C ATOM 0 H VAL B 54 11.751 -2.055 -3.856 1.00 3.17 H new ATOM 0 HA VAL B 54 10.812 0.449 -2.616 1.00 3.38 H new ATOM 0 HB VAL B 54 8.955 0.337 -4.284 1.00 3.83 H new ATOM 0 HG11 VAL B 54 10.277 0.899 -6.288 1.00 4.30 H new ATOM 0 HG12 VAL B 54 10.949 1.647 -4.820 1.00 4.30 H new ATOM 0 HG13 VAL B 54 11.726 0.207 -5.519 1.00 4.30 H new ATOM 0 HG21 VAL B 54 9.094 -1.258 -6.164 1.00 3.70 H new ATOM 0 HG22 VAL B 54 10.491 -2.041 -5.388 1.00 3.70 H new ATOM 0 HG23 VAL B 54 8.894 -2.091 -4.604 1.00 3.70 H new ATOM 2017 N PHE B 55 8.602 -0.534 -1.691 1.00 3.13 N ATOM 2018 CA PHE B 55 7.573 -1.134 -0.837 1.00 2.90 C ATOM 2019 C PHE B 55 6.170 -0.816 -1.369 1.00 3.35 C ATOM 2020 O PHE B 55 5.985 0.165 -2.092 1.00 3.72 O ATOM 2021 CB PHE B 55 7.727 -0.647 0.603 1.00 2.46 C ATOM 2022 CG PHE B 55 8.166 0.787 0.721 1.00 2.71 C ATOM 2023 CD1 PHE B 55 7.235 1.812 0.765 1.00 2.88 C ATOM 2024 CD2 PHE B 55 9.514 1.106 0.798 1.00 3.05 C ATOM 2025 CE1 PHE B 55 7.639 3.128 0.883 1.00 3.20 C ATOM 2026 CE2 PHE B 55 9.923 2.419 0.918 1.00 3.42 C ATOM 2027 CZ PHE B 55 8.985 3.431 0.960 1.00 3.42 C ATOM 0 H PHE B 55 8.501 0.472 -1.824 1.00 3.13 H new ATOM 0 HA PHE B 55 7.702 -2.216 -0.852 1.00 2.90 H new ATOM 0 HB2 PHE B 55 6.775 -0.769 1.120 1.00 2.46 H new ATOM 0 HB3 PHE B 55 8.451 -1.281 1.115 1.00 2.46 H new ATOM 0 HD1 PHE B 55 6.182 1.580 0.706 1.00 2.88 H new ATOM 0 HD2 PHE B 55 10.252 0.318 0.764 1.00 3.05 H new ATOM 0 HE1 PHE B 55 6.904 3.919 0.915 1.00 3.20 H new ATOM 0 HE2 PHE B 55 10.975 2.654 0.979 1.00 3.42 H new ATOM 0 HZ PHE B 55 9.303 4.459 1.053 1.00 3.42 H new ATOM 2037 N PRO B 56 5.159 -1.639 -1.006 1.00 3.43 N ATOM 2038 CA PRO B 56 3.787 -1.474 -1.499 1.00 3.90 C ATOM 2039 C PRO B 56 2.913 -0.486 -0.723 1.00 3.87 C ATOM 2040 O PRO B 56 2.723 -0.611 0.486 1.00 3.45 O ATOM 2041 CB PRO B 56 3.227 -2.884 -1.351 1.00 3.97 C ATOM 2042 CG PRO B 56 3.898 -3.419 -0.131 1.00 3.68 C ATOM 2043 CD PRO B 56 5.274 -2.797 -0.096 1.00 3.17 C ATOM 0 HA PRO B 56 3.791 -1.055 -2.505 1.00 3.90 H new ATOM 0 HB2 PRO B 56 2.143 -2.872 -1.236 1.00 3.97 H new ATOM 0 HB3 PRO B 56 3.448 -3.494 -2.227 1.00 3.97 H new ATOM 0 HG2 PRO B 56 3.334 -3.165 0.766 1.00 3.68 H new ATOM 0 HG3 PRO B 56 3.964 -4.506 -0.169 1.00 3.68 H new ATOM 0 HD2 PRO B 56 5.548 -2.488 0.913 1.00 3.17 H new ATOM 0 HD3 PRO B 56 6.038 -3.497 -0.433 1.00 3.17 H new ATOM 2051 N ASP B 57 2.401 0.499 -1.452 1.00 4.36 N ATOM 2052 CA ASP B 57 1.487 1.512 -0.920 1.00 4.47 C ATOM 2053 C ASP B 57 1.974 2.204 0.356 1.00 4.41 C ATOM 2054 O ASP B 57 1.203 2.365 1.305 1.00 4.40 O ATOM 2055 CB ASP B 57 0.038 1.027 -0.830 1.00 5.09 C ATOM 2056 CG ASP B 57 -0.101 -0.254 -0.028 1.00 5.56 C ATOM 2057 OD1 ASP B 57 -0.256 -0.169 1.208 1.00 5.85 O ATOM 2058 OD2 ASP B 57 -0.049 -1.345 -0.637 1.00 5.83 O ATOM 0 H ASP B 57 2.610 0.621 -2.443 1.00 4.36 H new ATOM 0 HA ASP B 57 1.493 2.302 -1.671 1.00 4.47 H new ATOM 0 HB2 ASP B 57 -0.574 1.805 -0.373 1.00 5.09 H new ATOM 0 HB3 ASP B 57 -0.350 0.865 -1.836 1.00 5.09 H new ATOM 2063 N ASN B 58 3.229 2.602 0.398 1.00 4.46 N ATOM 2064 CA ASN B 58 3.793 3.295 1.553 1.00 4.51 C ATOM 2065 C ASN B 58 3.794 2.458 2.835 1.00 3.97 C ATOM 2066 O ASN B 58 2.847 2.502 3.621 1.00 4.05 O ATOM 2067 CB ASN B 58 3.048 4.614 1.792 1.00 4.96 C ATOM 2068 CG ASN B 58 3.020 5.503 0.562 1.00 5.23 C ATOM 2069 OD1 ASN B 58 4.075 5.440 -0.246 1.00 5.40 O flip ATOM 2070 ND2 ASN B 58 2.062 6.245 0.341 1.00 5.67 N flip ATOM 0 H ASN B 58 3.892 2.457 -0.364 1.00 4.46 H new ATOM 0 HA ASN B 58 4.838 3.488 1.310 1.00 4.51 H new ATOM 0 HB2 ASN B 58 2.026 4.398 2.102 1.00 4.96 H new ATOM 0 HB3 ASN B 58 3.523 5.151 2.613 1.00 4.96 H new ATOM 0 HD21 ASN B 58 1.272 6.264 0.986 1.00 5.67 H new ATOM 0 HD22 ASN B 58 2.059 6.841 -0.487 1.00 5.67 H new ATOM 2077 N PHE B 59 4.869 1.697 3.029 1.00 3.50 N ATOM 2078 CA PHE B 59 5.036 0.887 4.235 1.00 3.01 C ATOM 2079 C PHE B 59 6.027 1.581 5.163 1.00 2.75 C ATOM 2080 O PHE B 59 6.545 0.965 6.093 1.00 2.44 O ATOM 2081 CB PHE B 59 5.543 -0.515 3.875 1.00 2.72 C ATOM 2082 CG PHE B 59 4.450 -1.539 3.702 1.00 3.03 C ATOM 2083 CD1 PHE B 59 3.201 -1.172 3.222 1.00 3.42 C ATOM 2084 CD2 PHE B 59 4.677 -2.869 4.020 1.00 3.42 C ATOM 2085 CE1 PHE B 59 2.200 -2.113 3.066 1.00 3.79 C ATOM 2086 CE2 PHE B 59 3.679 -3.812 3.865 1.00 3.86 C ATOM 2087 CZ PHE B 59 2.440 -3.435 3.387 1.00 3.89 C ATOM 0 H PHE B 59 5.640 1.624 2.365 1.00 3.50 H new ATOM 0 HA PHE B 59 4.074 0.782 4.736 1.00 3.01 H new ATOM 0 HB2 PHE B 59 6.120 -0.455 2.952 1.00 2.72 H new ATOM 0 HB3 PHE B 59 6.224 -0.855 4.655 1.00 2.72 H new ATOM 0 HD1 PHE B 59 3.009 -0.140 2.967 1.00 3.42 H new ATOM 0 HD2 PHE B 59 5.644 -3.171 4.393 1.00 3.42 H new ATOM 0 HE1 PHE B 59 1.231 -1.815 2.693 1.00 3.79 H new ATOM 0 HE2 PHE B 59 3.868 -4.845 4.118 1.00 3.86 H new ATOM 0 HZ PHE B 59 1.660 -4.172 3.264 1.00 3.89 H new ATOM 2097 N ALA B 60 6.283 2.864 4.917 1.00 3.02 N ATOM 2098 CA ALA B 60 7.220 3.623 5.741 1.00 3.01 C ATOM 2099 C ALA B 60 6.754 5.059 5.952 1.00 3.51 C ATOM 2100 O ALA B 60 6.272 5.704 5.020 1.00 3.89 O ATOM 2101 CB ALA B 60 8.602 3.606 5.103 1.00 2.92 C ATOM 0 H ALA B 60 5.858 3.397 4.158 1.00 3.02 H new ATOM 0 HA ALA B 60 7.266 3.146 6.720 1.00 3.01 H new ATOM 0 HB1 ALA B 60 9.296 4.174 5.723 1.00 2.92 H new ATOM 0 HB2 ALA B 60 8.951 2.577 5.018 1.00 2.92 H new ATOM 0 HB3 ALA B 60 8.550 4.055 4.111 1.00 2.92 H new ATOM 2107 N VAL B 61 6.909 5.558 7.181 1.00 3.59 N ATOM 2108 CA VAL B 61 6.494 6.917 7.516 1.00 4.08 C ATOM 2109 C VAL B 61 7.699 7.819 7.768 1.00 4.32 C ATOM 2110 O VAL B 61 8.508 7.545 8.654 1.00 4.19 O ATOM 2111 CB VAL B 61 5.565 6.926 8.754 1.00 4.13 C ATOM 2112 CG1 VAL B 61 6.225 6.241 9.943 1.00 3.91 C ATOM 2113 CG2 VAL B 61 5.153 8.348 9.110 1.00 4.64 C ATOM 0 H VAL B 61 7.319 5.040 7.958 1.00 3.59 H new ATOM 0 HA VAL B 61 5.943 7.306 6.660 1.00 4.08 H new ATOM 0 HB VAL B 61 4.667 6.363 8.501 1.00 4.13 H new ATOM 0 HG11 VAL B 61 5.548 6.263 10.797 1.00 3.91 H new ATOM 0 HG12 VAL B 61 6.452 5.206 9.687 1.00 3.91 H new ATOM 0 HG13 VAL B 61 7.148 6.763 10.197 1.00 3.91 H new ATOM 0 HG21 VAL B 61 4.500 8.330 9.983 1.00 4.64 H new ATOM 0 HG22 VAL B 61 6.041 8.939 9.333 1.00 4.64 H new ATOM 0 HG23 VAL B 61 4.622 8.794 8.269 1.00 4.64 H new ATOM 2123 N GLN B 62 7.822 8.898 6.984 1.00 4.79 N ATOM 2124 CA GLN B 62 8.940 9.827 7.138 1.00 5.14 C ATOM 2125 C GLN B 62 9.081 10.280 8.589 1.00 5.36 C ATOM 2126 O GLN B 62 8.101 10.344 9.332 1.00 5.56 O ATOM 2127 CB GLN B 62 8.760 11.046 6.227 1.00 5.63 C ATOM 2128 CG GLN B 62 9.956 11.989 6.235 1.00 6.02 C ATOM 2129 CD GLN B 62 9.864 13.063 5.167 1.00 6.30 C ATOM 2130 OE1 GLN B 62 9.333 14.148 5.405 1.00 6.28 O ATOM 2131 NE2 GLN B 62 10.384 12.765 3.982 1.00 6.72 N ATOM 0 H GLN B 62 7.165 9.145 6.244 1.00 4.79 H new ATOM 0 HA GLN B 62 9.850 9.301 6.849 1.00 5.14 H new ATOM 0 HB2 GLN B 62 8.582 10.705 5.207 1.00 5.63 H new ATOM 0 HB3 GLN B 62 7.872 11.595 6.539 1.00 5.63 H new ATOM 0 HG2 GLN B 62 10.034 12.462 7.214 1.00 6.02 H new ATOM 0 HG3 GLN B 62 10.869 11.412 6.086 1.00 6.02 H new ATOM 0 HE21 GLN B 62 10.815 11.853 3.829 1.00 6.72 H new ATOM 0 HE22 GLN B 62 10.353 13.448 3.225 1.00 6.72 H new ATOM 2140 N ILE B 63 10.313 10.596 8.978 1.00 5.39 N ATOM 2141 CA ILE B 63 10.606 11.050 10.332 1.00 5.68 C ATOM 2142 C ILE B 63 11.214 12.447 10.304 1.00 6.23 C ATOM 2143 O ILE B 63 10.931 13.276 11.169 1.00 6.54 O ATOM 2144 CB ILE B 63 11.572 10.082 11.049 1.00 5.55 C ATOM 2145 CG1 ILE B 63 11.024 8.652 10.996 1.00 5.23 C ATOM 2146 CG2 ILE B 63 11.791 10.521 12.493 1.00 5.71 C ATOM 2147 CD1 ILE B 63 11.956 7.621 11.594 1.00 5.25 C ATOM 0 H ILE B 63 11.129 10.545 8.369 1.00 5.39 H new ATOM 0 HA ILE B 63 9.666 11.075 10.883 1.00 5.68 H new ATOM 0 HB ILE B 63 12.534 10.103 10.536 1.00 5.55 H new ATOM 0 HG12 ILE B 63 10.071 8.618 11.525 1.00 5.23 H new ATOM 0 HG13 ILE B 63 10.822 8.388 9.958 1.00 5.23 H new ATOM 0 HG21 ILE B 63 12.474 9.828 12.984 1.00 5.71 H new ATOM 0 HG22 ILE B 63 12.218 11.524 12.508 1.00 5.71 H new ATOM 0 HG23 ILE B 63 10.837 10.525 13.021 1.00 5.71 H new ATOM 0 HD11 ILE B 63 11.501 6.633 11.521 1.00 5.25 H new ATOM 0 HD12 ILE B 63 12.901 7.626 11.051 1.00 5.25 H new ATOM 0 HD13 ILE B 63 12.138 7.860 12.642 1.00 5.25 H new ATOM 2159 N SER B 64 12.048 12.699 9.296 1.00 6.41 N ATOM 2160 CA SER B 64 12.697 13.996 9.140 1.00 6.97 C ATOM 2161 C SER B 64 11.852 14.916 8.262 1.00 7.20 C ATOM 2162 O SER B 64 11.170 15.802 8.819 1.00 7.43 O ATOM 2163 CB SER B 64 14.093 13.825 8.531 1.00 7.23 C ATOM 2164 OG SER B 64 14.901 12.977 9.331 1.00 7.19 O ATOM 2165 OXT SER B 64 11.869 14.738 7.025 1.00 7.37 O ATOM 0 H SER B 64 12.289 12.019 8.575 1.00 6.41 H new ATOM 0 HA SER B 64 12.797 14.450 10.126 1.00 6.97 H new ATOM 0 HB2 SER B 64 14.006 13.408 7.527 1.00 7.23 H new ATOM 0 HB3 SER B 64 14.571 14.799 8.431 1.00 7.23 H new ATOM 0 HG SER B 64 15.785 12.884 8.919 1.00 7.19 H new TER 2171 SER B 64