USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 941 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 Single : A 1 GLY N :NH3+ -115:sc= 0.0795 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 150:sc= -1.09 USER MOD Single : A 13 MET CE :methyl -138:sc= -0.812 (180deg=-3.41!) USER MOD Single : A 15 LYS NZ :NH3+ -159:sc= -0.947 (180deg=-1.26) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0774 USER MOD Single : A 27 ASN : amide:sc= -3.31 K(o=-3.3,f=-4.1!) USER MOD Single : A 31 HIS : no HD1:sc= -0.129 K(o=-0.13,f=-1.4) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.35 USER MOD Single : A 46 SER OG : rot 180:sc= -0.0327 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 105:sc= 0.078 USER MOD Single : A 50 SER OG : rot 91:sc= 0.888 USER MOD Single : A 52 SER OG : rot -127:sc= 0.216 USER MOD Single : A 56 HIS : no HD1:sc= -0.09 K(o=-0.09,f=-0.6) USER MOD Single : A 59 THR OG1 : rot 36:sc= 0.378 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.018 USER MOD Single : A 69 TYR OH : rot -83:sc= -1.32 USER MOD Single : A 70 LYS NZ :NH3+ -115:sc= 0.165 (180deg=-0.31) USER MOD Single : A 75 THR OG1 : rot 160:sc= -0.725 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -82:sc= 0.794 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.347 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 144:sc= -6.52 (180deg=-14.4!) USER MOD Single : A 88 HIS :FLIP no HD1:sc= -0.0571 F(o=-0.84,f=-0.057) USER MOD Single : A 90 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.65) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 90:sc= 1.61 USER MOD Single : A 110 MET CE :methyl -131:sc= -1.84 (180deg=-8.8!) USER MOD Single : A 112 SER OG : rot 180:sc= 0.138 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 49:sc= 0.664 USER MOD Single : A 116 TYR OH : rot 55:sc= 0.199 USER MOD Single : A 117 SER OG : rot 180:sc= 0.0193 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 119 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 123 THR OG1 : rot 40:sc= 0.289 USER MOD Single : A 124 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.35) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.221 -5.115 -4.227 1.00 61.14 N ATOM 2 CA GLY A 1 -0.232 -4.995 -5.283 1.00 32.12 C ATOM 3 C GLY A 1 1.050 -4.341 -4.805 1.00 34.20 C ATOM 4 O GLY A 1 1.126 -3.811 -3.697 1.00 34.12 O ATOM 0 H1 GLY A 1 -1.393 -6.121 -4.025 1.00 61.14 H new ATOM 0 H2 GLY A 1 -0.871 -4.644 -3.368 1.00 61.14 H new ATOM 0 H3 GLY A 1 -2.109 -4.666 -4.530 1.00 61.14 H new ATOM 0 HA2 GLY A 1 -0.006 -5.985 -5.679 1.00 32.12 H new ATOM 0 HA3 GLY A 1 -0.650 -4.412 -6.103 1.00 32.12 H new ATOM 8 N PRO A 2 2.088 -4.376 -5.654 1.00 40.13 N ATOM 9 CA PRO A 2 3.392 -3.788 -5.334 1.00 12.23 C ATOM 10 C PRO A 2 3.348 -2.264 -5.295 1.00 60.11 C ATOM 11 O PRO A 2 2.276 -1.661 -5.371 1.00 13.32 O ATOM 12 CB PRO A 2 4.289 -4.267 -6.477 1.00 65.30 C ATOM 13 CG PRO A 2 3.355 -4.518 -7.611 1.00 53.50 C ATOM 14 CD PRO A 2 2.069 -4.990 -6.992 1.00 2.22 C ATOM 0 HA PRO A 2 3.741 -4.088 -4.346 1.00 12.23 H new ATOM 0 HB2 PRO A 2 5.035 -3.516 -6.737 1.00 65.30 H new ATOM 0 HB3 PRO A 2 4.831 -5.172 -6.203 1.00 65.30 H new ATOM 0 HG2 PRO A 2 3.197 -3.611 -8.195 1.00 53.50 H new ATOM 0 HG3 PRO A 2 3.759 -5.268 -8.291 1.00 53.50 H new ATOM 0 HD2 PRO A 2 1.203 -4.667 -7.570 1.00 2.22 H new ATOM 0 HD3 PRO A 2 2.026 -6.078 -6.934 1.00 2.22 H new ATOM 22 N THR A 3 4.518 -1.644 -5.177 1.00 14.22 N ATOM 23 CA THR A 3 4.612 -0.191 -5.128 1.00 30.12 C ATOM 24 C THR A 3 3.923 0.445 -6.330 1.00 52.42 C ATOM 25 O THR A 3 3.762 -0.188 -7.373 1.00 64.13 O ATOM 26 CB THR A 3 6.080 0.276 -5.086 1.00 60.14 C ATOM 27 OG1 THR A 3 6.705 0.040 -6.353 1.00 65.23 O ATOM 28 CG2 THR A 3 6.848 -0.451 -3.993 1.00 54.24 C ATOM 0 H THR A 3 5.414 -2.127 -5.114 1.00 14.22 H new ATOM 0 HA THR A 3 4.111 0.128 -4.214 1.00 30.12 H new ATOM 0 HB THR A 3 6.093 1.344 -4.868 1.00 60.14 H new ATOM 0 HG1 THR A 3 7.637 0.341 -6.319 1.00 65.23 H new ATOM 0 HG21 THR A 3 7.882 -0.105 -3.983 1.00 54.24 H new ATOM 0 HG22 THR A 3 6.387 -0.246 -3.027 1.00 54.24 H new ATOM 0 HG23 THR A 3 6.827 -1.524 -4.185 1.00 54.24 H new ATOM 36 N GLY A 4 3.518 1.703 -6.178 1.00 41.43 N ATOM 37 CA GLY A 4 2.851 2.404 -7.258 1.00 44.14 C ATOM 38 C GLY A 4 3.765 3.387 -7.964 1.00 45.21 C ATOM 39 O GLY A 4 4.832 3.731 -7.453 1.00 55.11 O ATOM 0 H GLY A 4 3.641 2.249 -5.325 1.00 41.43 H new ATOM 0 HA2 GLY A 4 2.475 1.679 -7.980 1.00 44.14 H new ATOM 0 HA3 GLY A 4 1.986 2.937 -6.862 1.00 44.14 H new ATOM 43 N THR A 5 3.349 3.839 -9.142 1.00 31.41 N ATOM 44 CA THR A 5 4.139 4.785 -9.920 1.00 22.34 C ATOM 45 C THR A 5 3.576 6.197 -9.803 1.00 31.32 C ATOM 46 O THR A 5 3.733 7.015 -10.709 1.00 14.22 O ATOM 47 CB THR A 5 4.189 4.386 -11.407 1.00 73.45 C ATOM 48 OG1 THR A 5 2.924 4.639 -12.026 1.00 5.02 O ATOM 49 CG2 THR A 5 4.549 2.916 -11.561 1.00 64.33 C ATOM 0 H THR A 5 2.469 3.565 -9.579 1.00 31.41 H new ATOM 0 HA THR A 5 5.150 4.764 -9.512 1.00 22.34 H new ATOM 0 HB THR A 5 4.958 4.986 -11.895 1.00 73.45 H new ATOM 0 HG1 THR A 5 2.966 4.384 -12.971 1.00 5.02 H new ATOM 0 HG21 THR A 5 4.578 2.658 -12.620 1.00 64.33 H new ATOM 0 HG22 THR A 5 5.527 2.732 -11.115 1.00 64.33 H new ATOM 0 HG23 THR A 5 3.800 2.303 -11.059 1.00 64.33 H new ATOM 57 N GLY A 6 2.921 6.478 -8.681 1.00 71.40 N ATOM 58 CA GLY A 6 2.345 7.792 -8.467 1.00 40.22 C ATOM 59 C GLY A 6 3.059 8.567 -7.377 1.00 10.15 C ATOM 60 O GLY A 6 3.082 9.797 -7.395 1.00 53.20 O ATOM 0 H GLY A 6 2.779 5.818 -7.916 1.00 71.40 H new ATOM 0 HA2 GLY A 6 2.385 8.359 -9.397 1.00 40.22 H new ATOM 0 HA3 GLY A 6 1.293 7.686 -8.203 1.00 40.22 H new ATOM 64 N GLU A 7 3.639 7.845 -6.423 1.00 40.40 N ATOM 65 CA GLU A 7 4.354 8.473 -5.318 1.00 12.15 C ATOM 66 C GLU A 7 5.711 7.812 -5.102 1.00 51.21 C ATOM 67 O GLU A 7 6.139 6.974 -5.896 1.00 21.41 O ATOM 68 CB GLU A 7 3.525 8.394 -4.035 1.00 43.22 C ATOM 69 CG GLU A 7 3.356 6.979 -3.505 1.00 35.11 C ATOM 70 CD GLU A 7 2.782 6.946 -2.103 1.00 70.21 C ATOM 71 OE1 GLU A 7 3.561 7.098 -1.138 1.00 72.12 O1- ATOM 72 OE2 GLU A 7 1.554 6.767 -1.969 1.00 64.44 O ATOM 0 H GLU A 7 3.628 6.825 -6.393 1.00 40.40 H new ATOM 0 HA GLU A 7 4.517 9.520 -5.573 1.00 12.15 H new ATOM 0 HB2 GLU A 7 3.999 9.006 -3.268 1.00 43.22 H new ATOM 0 HB3 GLU A 7 2.541 8.823 -4.222 1.00 43.22 H new ATOM 0 HG2 GLU A 7 2.702 6.420 -4.174 1.00 35.11 H new ATOM 0 HG3 GLU A 7 4.323 6.475 -3.510 1.00 35.11 H new ATOM 79 N SER A 8 6.384 8.194 -4.021 1.00 30.32 N ATOM 80 CA SER A 8 7.695 7.641 -3.702 1.00 50.54 C ATOM 81 C SER A 8 8.186 8.153 -2.351 1.00 74.54 C ATOM 82 O SER A 8 7.808 9.238 -1.910 1.00 32.03 O ATOM 83 CB SER A 8 8.705 8.004 -4.793 1.00 2.22 C ATOM 84 OG SER A 8 9.165 9.336 -4.640 1.00 41.42 O ATOM 0 H SER A 8 6.043 8.884 -3.352 1.00 30.32 H new ATOM 0 HA SER A 8 7.601 6.556 -3.649 1.00 50.54 H new ATOM 0 HB2 SER A 8 9.550 7.317 -4.753 1.00 2.22 H new ATOM 0 HB3 SER A 8 8.244 7.886 -5.774 1.00 2.22 H new ATOM 0 HG SER A 8 9.810 9.543 -5.348 1.00 41.42 H new ATOM 90 N LYS A 9 9.029 7.361 -1.697 1.00 25.14 N ATOM 91 CA LYS A 9 9.574 7.731 -0.395 1.00 4.14 C ATOM 92 C LYS A 9 10.646 8.806 -0.540 1.00 50.55 C ATOM 93 O LYS A 9 10.927 9.271 -1.645 1.00 2.11 O ATOM 94 CB LYS A 9 10.160 6.502 0.303 1.00 2.34 C ATOM 95 CG LYS A 9 9.114 5.619 0.960 1.00 10.32 C ATOM 96 CD LYS A 9 8.287 4.871 -0.071 1.00 40.34 C ATOM 97 CE LYS A 9 9.154 3.959 -0.926 1.00 14.34 C ATOM 98 NZ LYS A 9 8.673 2.550 -0.897 1.00 60.34 N1+ ATOM 0 H LYS A 9 9.350 6.458 -2.047 1.00 25.14 H new ATOM 0 HA LYS A 9 8.762 8.132 0.211 1.00 4.14 H new ATOM 0 HB2 LYS A 9 10.716 5.912 -0.425 1.00 2.34 H new ATOM 0 HB3 LYS A 9 10.873 6.830 1.059 1.00 2.34 H new ATOM 0 HG2 LYS A 9 9.604 4.905 1.622 1.00 10.32 H new ATOM 0 HG3 LYS A 9 8.458 6.230 1.580 1.00 10.32 H new ATOM 0 HD2 LYS A 9 7.523 4.280 0.433 1.00 40.34 H new ATOM 0 HD3 LYS A 9 7.768 5.585 -0.710 1.00 40.34 H new ATOM 0 HE2 LYS A 9 9.158 4.321 -1.954 1.00 14.34 H new ATOM 0 HE3 LYS A 9 10.184 3.999 -0.571 1.00 14.34 H new ATOM 0 HZ1 LYS A 9 9.290 1.960 -1.492 1.00 60.34 H new ATOM 0 HZ2 LYS A 9 8.693 2.196 0.081 1.00 60.34 H new ATOM 0 HZ3 LYS A 9 7.699 2.508 -1.260 1.00 60.34 H new ATOM 112 N CYS A 10 11.240 9.196 0.581 1.00 54.34 N ATOM 113 CA CYS A 10 12.283 10.217 0.579 1.00 63.03 C ATOM 114 C CYS A 10 13.369 9.882 -0.437 1.00 10.52 C ATOM 115 O CYS A 10 13.515 8.740 -0.874 1.00 12.21 O ATOM 116 CB CYS A 10 12.895 10.353 1.974 1.00 2.32 C ATOM 117 SG CYS A 10 12.065 11.564 3.030 1.00 4.01 S ATOM 0 H CYS A 10 11.018 8.822 1.503 1.00 54.34 H new ATOM 0 HA CYS A 10 11.828 11.166 0.297 1.00 63.03 H new ATOM 0 HB2 CYS A 10 12.871 9.381 2.466 1.00 2.32 H new ATOM 0 HB3 CYS A 10 13.944 10.633 1.873 1.00 2.32 H new ATOM 0 HG CYS A 10 12.172 11.201 4.274 1.00 4.01 H new ATOM 123 N PRO A 11 14.152 10.900 -0.824 1.00 53.44 N ATOM 124 CA PRO A 11 15.239 10.739 -1.794 1.00 54.45 C ATOM 125 C PRO A 11 16.402 9.930 -1.232 1.00 45.03 C ATOM 126 O PRO A 11 17.172 9.327 -1.981 1.00 23.34 O ATOM 127 CB PRO A 11 15.676 12.178 -2.080 1.00 72.55 C ATOM 128 CG PRO A 11 15.288 12.940 -0.861 1.00 3.34 C ATOM 129 CD PRO A 11 14.036 12.288 -0.344 1.00 61.21 C ATOM 0 HA PRO A 11 14.916 10.193 -2.681 1.00 54.45 H new ATOM 0 HB2 PRO A 11 16.749 12.238 -2.259 1.00 72.55 H new ATOM 0 HB3 PRO A 11 15.182 12.573 -2.968 1.00 72.55 H new ATOM 0 HG2 PRO A 11 16.081 12.910 -0.113 1.00 3.34 H new ATOM 0 HG3 PRO A 11 15.112 13.990 -1.097 1.00 3.34 H new ATOM 0 HD2 PRO A 11 13.979 12.334 0.744 1.00 61.21 H new ATOM 0 HD3 PRO A 11 13.140 12.774 -0.731 1.00 61.21 H new ATOM 137 N LEU A 12 16.527 9.922 0.091 1.00 63.12 N ATOM 138 CA LEU A 12 17.597 9.187 0.755 1.00 52.33 C ATOM 139 C LEU A 12 17.091 8.522 2.031 1.00 2.43 C ATOM 140 O LEU A 12 16.709 9.198 2.985 1.00 13.02 O ATOM 141 CB LEU A 12 18.761 10.124 1.082 1.00 40.22 C ATOM 142 CG LEU A 12 20.092 9.451 1.417 1.00 11.33 C ATOM 143 CD1 LEU A 12 20.027 8.792 2.785 1.00 73.42 C ATOM 144 CD2 LEU A 12 20.457 8.431 0.348 1.00 15.23 C ATOM 0 H LEU A 12 15.900 10.417 0.725 1.00 63.12 H new ATOM 0 HA LEU A 12 17.945 8.409 0.075 1.00 52.33 H new ATOM 0 HB2 LEU A 12 18.917 10.788 0.231 1.00 40.22 H new ATOM 0 HB3 LEU A 12 18.471 10.750 1.926 1.00 40.22 H new ATOM 0 HG LEU A 12 20.868 10.216 1.442 1.00 11.33 H new ATOM 0 HD11 LEU A 12 20.983 8.318 3.006 1.00 73.42 H new ATOM 0 HD12 LEU A 12 19.812 9.546 3.542 1.00 73.42 H new ATOM 0 HD13 LEU A 12 19.239 8.039 2.789 1.00 73.42 H new ATOM 0 HD21 LEU A 12 21.407 7.962 0.602 1.00 15.23 H new ATOM 0 HD22 LEU A 12 19.680 7.669 0.291 1.00 15.23 H new ATOM 0 HD23 LEU A 12 20.546 8.931 -0.617 1.00 15.23 H new ATOM 156 N MET A 13 17.093 7.193 2.041 1.00 61.20 N ATOM 157 CA MET A 13 16.638 6.436 3.201 1.00 22.34 C ATOM 158 C MET A 13 17.538 5.232 3.453 1.00 2.51 C ATOM 159 O MET A 13 18.104 4.660 2.521 1.00 53.15 O ATOM 160 CB MET A 13 15.193 5.974 2.999 1.00 74.34 C ATOM 161 CG MET A 13 15.009 5.062 1.798 1.00 62.10 C ATOM 162 SD MET A 13 13.673 3.873 2.028 1.00 31.34 S ATOM 163 CE MET A 13 14.327 2.883 3.370 1.00 60.31 C ATOM 0 H MET A 13 17.405 6.618 1.258 1.00 61.20 H new ATOM 0 HA MET A 13 16.686 7.090 4.072 1.00 22.34 H new ATOM 0 HB2 MET A 13 14.858 5.452 3.896 1.00 74.34 H new ATOM 0 HB3 MET A 13 14.554 6.849 2.882 1.00 74.34 H new ATOM 0 HG2 MET A 13 14.804 5.667 0.915 1.00 62.10 H new ATOM 0 HG3 MET A 13 15.939 4.526 1.608 1.00 62.10 H new ATOM 0 HE1 MET A 13 14.126 1.829 3.176 1.00 60.31 H new ATOM 0 HE2 MET A 13 15.403 3.040 3.447 1.00 60.31 H new ATOM 0 HE3 MET A 13 13.850 3.177 4.305 1.00 60.31 H new ATOM 173 N VAL A 14 17.670 4.851 4.720 1.00 21.22 N ATOM 174 CA VAL A 14 18.502 3.714 5.094 1.00 2.34 C ATOM 175 C VAL A 14 17.653 2.473 5.353 1.00 34.21 C ATOM 176 O VAL A 14 16.724 2.500 6.160 1.00 35.53 O ATOM 177 CB VAL A 14 19.339 4.021 6.350 1.00 44.00 C ATOM 178 CG1 VAL A 14 20.174 2.811 6.744 1.00 51.25 C ATOM 179 CG2 VAL A 14 20.224 5.235 6.116 1.00 44.55 C ATOM 0 H VAL A 14 17.211 5.314 5.505 1.00 21.22 H new ATOM 0 HA VAL A 14 19.173 3.523 4.256 1.00 2.34 H new ATOM 0 HB VAL A 14 18.660 4.248 7.172 1.00 44.00 H new ATOM 0 HG11 VAL A 14 20.759 3.046 7.633 1.00 51.25 H new ATOM 0 HG12 VAL A 14 19.516 1.968 6.955 1.00 51.25 H new ATOM 0 HG13 VAL A 14 20.846 2.551 5.926 1.00 51.25 H new ATOM 0 HG21 VAL A 14 20.808 5.438 7.014 1.00 44.55 H new ATOM 0 HG22 VAL A 14 20.897 5.039 5.281 1.00 44.55 H new ATOM 0 HG23 VAL A 14 19.602 6.100 5.885 1.00 44.55 H new ATOM 189 N LYS A 15 17.979 1.385 4.663 1.00 20.03 N ATOM 190 CA LYS A 15 17.250 0.133 4.818 1.00 34.30 C ATOM 191 C LYS A 15 18.166 -0.970 5.339 1.00 62.02 C ATOM 192 O LYS A 15 19.043 -1.451 4.621 1.00 61.44 O ATOM 193 CB LYS A 15 16.632 -0.290 3.484 1.00 53.00 C ATOM 194 CG LYS A 15 16.025 -1.683 3.508 1.00 15.14 C ATOM 195 CD LYS A 15 14.846 -1.760 4.464 1.00 41.01 C ATOM 196 CE LYS A 15 15.230 -2.445 5.767 1.00 63.11 C ATOM 197 NZ LYS A 15 14.119 -3.281 6.301 1.00 53.54 N1+ ATOM 0 H LYS A 15 18.745 1.346 3.990 1.00 20.03 H new ATOM 0 HA LYS A 15 16.454 0.293 5.545 1.00 34.30 H new ATOM 0 HB2 LYS A 15 15.861 0.428 3.207 1.00 53.00 H new ATOM 0 HB3 LYS A 15 17.398 -0.250 2.710 1.00 53.00 H new ATOM 0 HG2 LYS A 15 15.700 -1.957 2.504 1.00 15.14 H new ATOM 0 HG3 LYS A 15 16.784 -2.407 3.805 1.00 15.14 H new ATOM 0 HD2 LYS A 15 14.480 -0.755 4.674 1.00 41.01 H new ATOM 0 HD3 LYS A 15 14.028 -2.305 3.992 1.00 41.01 H new ATOM 0 HE2 LYS A 15 16.109 -3.069 5.604 1.00 63.11 H new ATOM 0 HE3 LYS A 15 15.506 -1.692 6.506 1.00 63.11 H new ATOM 0 HZ1 LYS A 15 14.261 -3.438 7.319 1.00 53.54 H new ATOM 0 HZ2 LYS A 15 13.213 -2.793 6.149 1.00 53.54 H new ATOM 0 HZ3 LYS A 15 14.106 -4.197 5.808 1.00 53.54 H new ATOM 211 N VAL A 16 17.956 -1.366 6.590 1.00 25.51 N ATOM 212 CA VAL A 16 18.761 -2.415 7.206 1.00 72.30 C ATOM 213 C VAL A 16 17.885 -3.547 7.727 1.00 42.30 C ATOM 214 O VAL A 16 17.018 -3.335 8.577 1.00 53.32 O ATOM 215 CB VAL A 16 19.611 -1.861 8.365 1.00 4.53 C ATOM 216 CG1 VAL A 16 20.442 -2.970 8.994 1.00 11.20 C ATOM 217 CG2 VAL A 16 20.500 -0.726 7.880 1.00 21.20 C ATOM 0 H VAL A 16 17.235 -0.976 7.197 1.00 25.51 H new ATOM 0 HA VAL A 16 19.424 -2.802 6.432 1.00 72.30 H new ATOM 0 HB VAL A 16 18.940 -1.464 9.127 1.00 4.53 H new ATOM 0 HG11 VAL A 16 21.036 -2.561 9.811 1.00 11.20 H new ATOM 0 HG12 VAL A 16 19.781 -3.746 9.380 1.00 11.20 H new ATOM 0 HG13 VAL A 16 21.105 -3.399 8.243 1.00 11.20 H new ATOM 0 HG21 VAL A 16 21.093 -0.347 8.712 1.00 21.20 H new ATOM 0 HG22 VAL A 16 21.165 -1.093 7.098 1.00 21.20 H new ATOM 0 HG23 VAL A 16 19.880 0.077 7.481 1.00 21.20 H new ATOM 227 N LEU A 17 18.114 -4.751 7.214 1.00 45.53 N ATOM 228 CA LEU A 17 17.345 -5.919 7.628 1.00 34.25 C ATOM 229 C LEU A 17 18.251 -7.132 7.805 1.00 35.30 C ATOM 230 O LEU A 17 19.279 -7.255 7.137 1.00 14.24 O ATOM 231 CB LEU A 17 16.255 -6.227 6.600 1.00 4.15 C ATOM 232 CG LEU A 17 16.693 -7.036 5.379 1.00 21.13 C ATOM 233 CD1 LEU A 17 16.179 -8.465 5.473 1.00 54.51 C ATOM 234 CD2 LEU A 17 16.207 -6.375 4.098 1.00 44.01 C ATOM 0 H LEU A 17 18.827 -4.944 6.510 1.00 45.53 H new ATOM 0 HA LEU A 17 16.878 -5.695 8.587 1.00 34.25 H new ATOM 0 HB2 LEU A 17 15.453 -6.769 7.102 1.00 4.15 H new ATOM 0 HB3 LEU A 17 15.833 -5.283 6.253 1.00 4.15 H new ATOM 0 HG LEU A 17 17.782 -7.064 5.358 1.00 21.13 H new ATOM 0 HD11 LEU A 17 16.500 -9.026 4.595 1.00 54.51 H new ATOM 0 HD12 LEU A 17 16.578 -8.937 6.371 1.00 54.51 H new ATOM 0 HD13 LEU A 17 15.090 -8.458 5.520 1.00 54.51 H new ATOM 0 HD21 LEU A 17 16.528 -6.965 3.240 1.00 44.01 H new ATOM 0 HD22 LEU A 17 15.119 -6.315 4.110 1.00 44.01 H new ATOM 0 HD23 LEU A 17 16.625 -5.371 4.025 1.00 44.01 H new ATOM 246 N ASP A 18 17.864 -8.027 8.707 1.00 35.22 N ATOM 247 CA ASP A 18 18.639 -9.234 8.969 1.00 62.01 C ATOM 248 C ASP A 18 18.369 -10.295 7.908 1.00 31.11 C ATOM 249 O ASP A 18 17.222 -10.672 7.670 1.00 73.51 O ATOM 250 CB ASP A 18 18.308 -9.787 10.357 1.00 12.00 C ATOM 251 CG ASP A 18 18.809 -8.890 11.471 1.00 12.43 C ATOM 252 OD1 ASP A 18 19.606 -7.973 11.183 1.00 43.43 O1- ATOM 253 OD2 ASP A 18 18.406 -9.107 12.634 1.00 41.53 O ATOM 0 H ASP A 18 17.018 -7.939 9.269 1.00 35.22 H new ATOM 0 HA ASP A 18 19.696 -8.972 8.933 1.00 62.01 H new ATOM 0 HB2 ASP A 18 17.229 -9.908 10.449 1.00 12.00 H new ATOM 0 HB3 ASP A 18 18.750 -10.778 10.465 1.00 12.00 H new ATOM 258 N ALA A 19 19.434 -10.773 7.272 1.00 34.14 N ATOM 259 CA ALA A 19 19.312 -11.792 6.236 1.00 74.24 C ATOM 260 C ALA A 19 19.154 -13.180 6.847 1.00 42.11 C ATOM 261 O ALA A 19 19.031 -14.173 6.131 1.00 25.21 O ATOM 262 CB ALA A 19 20.520 -11.753 5.313 1.00 45.22 C ATOM 0 H ALA A 19 20.391 -10.471 7.456 1.00 34.14 H new ATOM 0 HA ALA A 19 18.417 -11.577 5.653 1.00 74.24 H new ATOM 0 HB1 ALA A 19 20.416 -12.519 4.545 1.00 45.22 H new ATOM 0 HB2 ALA A 19 20.586 -10.772 4.841 1.00 45.22 H new ATOM 0 HB3 ALA A 19 21.425 -11.940 5.891 1.00 45.22 H new ATOM 268 N VAL A 20 19.158 -13.240 8.174 1.00 34.04 N ATOM 269 CA VAL A 20 19.015 -14.507 8.882 1.00 21.35 C ATOM 270 C VAL A 20 17.546 -14.866 9.076 1.00 44.04 C ATOM 271 O VAL A 20 17.166 -16.035 9.001 1.00 43.12 O ATOM 272 CB VAL A 20 19.707 -14.464 10.257 1.00 5.35 C ATOM 273 CG1 VAL A 20 19.566 -15.801 10.970 1.00 34.41 C ATOM 274 CG2 VAL A 20 21.174 -14.085 10.103 1.00 3.13 C ATOM 0 H VAL A 20 19.259 -12.427 8.781 1.00 34.04 H new ATOM 0 HA VAL A 20 19.494 -15.268 8.266 1.00 21.35 H new ATOM 0 HB VAL A 20 19.219 -13.702 10.866 1.00 5.35 H new ATOM 0 HG11 VAL A 20 20.061 -15.750 11.940 1.00 34.41 H new ATOM 0 HG12 VAL A 20 18.509 -16.027 11.114 1.00 34.41 H new ATOM 0 HG13 VAL A 20 20.026 -16.585 10.368 1.00 34.41 H new ATOM 0 HG21 VAL A 20 21.648 -14.059 11.084 1.00 3.13 H new ATOM 0 HG22 VAL A 20 21.676 -14.822 9.477 1.00 3.13 H new ATOM 0 HG23 VAL A 20 21.249 -13.102 9.638 1.00 3.13 H new ATOM 284 N ARG A 21 16.724 -13.852 9.326 1.00 13.31 N ATOM 285 CA ARG A 21 15.296 -14.060 9.532 1.00 41.52 C ATOM 286 C ARG A 21 14.483 -13.370 8.440 1.00 40.44 C ATOM 287 O ARG A 21 13.358 -13.770 8.143 1.00 1.41 O ATOM 288 CB ARG A 21 14.875 -13.533 10.905 1.00 42.31 C ATOM 289 CG ARG A 21 15.852 -13.880 12.016 1.00 55.31 C ATOM 290 CD ARG A 21 16.857 -12.760 12.243 1.00 11.13 C ATOM 291 NE ARG A 21 17.640 -12.965 13.458 1.00 51.30 N ATOM 292 CZ ARG A 21 17.152 -12.803 14.683 1.00 13.52 C ATOM 293 NH1 ARG A 21 15.890 -12.435 14.855 1.00 72.23 N1+ ATOM 294 NH2 ARG A 21 17.928 -13.009 15.740 1.00 1.52 N ATOM 0 H ARG A 21 17.022 -12.879 9.391 1.00 13.31 H new ATOM 0 HA ARG A 21 15.100 -15.131 9.486 1.00 41.52 H new ATOM 0 HB2 ARG A 21 14.768 -12.450 10.852 1.00 42.31 H new ATOM 0 HB3 ARG A 21 13.894 -13.938 11.155 1.00 42.31 H new ATOM 0 HG2 ARG A 21 15.303 -14.071 12.938 1.00 55.31 H new ATOM 0 HG3 ARG A 21 16.381 -14.799 11.764 1.00 55.31 H new ATOM 0 HD2 ARG A 21 17.528 -12.696 11.386 1.00 11.13 H new ATOM 0 HD3 ARG A 21 16.330 -11.808 12.308 1.00 11.13 H new ATOM 0 HE ARG A 21 18.615 -13.248 13.361 1.00 51.30 H new ATOM 0 HH11 ARG A 21 15.290 -12.275 14.045 1.00 72.23 H new ATOM 0 HH12 ARG A 21 15.519 -12.312 15.797 1.00 72.23 H new ATOM 0 HH21 ARG A 21 18.900 -13.292 15.612 1.00 1.52 H new ATOM 0 HH22 ARG A 21 17.553 -12.884 16.680 1.00 1.52 H new ATOM 308 N GLY A 22 15.062 -12.331 7.846 1.00 74.32 N ATOM 309 CA GLY A 22 14.376 -11.602 6.795 1.00 71.21 C ATOM 310 C GLY A 22 13.613 -10.404 7.322 1.00 53.11 C ATOM 311 O GLY A 22 12.899 -9.735 6.575 1.00 34.42 O ATOM 0 H GLY A 22 15.993 -11.981 8.073 1.00 74.32 H new ATOM 0 HA2 GLY A 22 15.103 -11.268 6.055 1.00 71.21 H new ATOM 0 HA3 GLY A 22 13.685 -12.272 6.284 1.00 71.21 H new ATOM 315 N SER A 23 13.760 -10.133 8.615 1.00 51.51 N ATOM 316 CA SER A 23 13.073 -9.010 9.244 1.00 3.34 C ATOM 317 C SER A 23 14.011 -7.816 9.396 1.00 32.43 C ATOM 318 O SER A 23 15.234 -7.942 9.329 1.00 43.34 O ATOM 319 CB SER A 23 12.527 -9.422 10.612 1.00 71.44 C ATOM 320 OG SER A 23 13.150 -10.606 11.076 1.00 35.11 O ATOM 0 H SER A 23 14.348 -10.675 9.248 1.00 51.51 H new ATOM 0 HA SER A 23 12.242 -8.717 8.602 1.00 3.34 H new ATOM 0 HB2 SER A 23 12.690 -8.617 11.329 1.00 71.44 H new ATOM 0 HB3 SER A 23 11.450 -9.577 10.545 1.00 71.44 H new ATOM 0 HG SER A 23 12.784 -10.846 11.953 1.00 35.11 H new ATOM 326 N PRO A 24 13.425 -6.628 9.607 1.00 34.11 N ATOM 327 CA PRO A 24 14.188 -5.388 9.773 1.00 75.01 C ATOM 328 C PRO A 24 14.956 -5.352 11.090 1.00 32.44 C ATOM 329 O PRO A 24 14.552 -5.974 12.073 1.00 65.23 O ATOM 330 CB PRO A 24 13.109 -4.303 9.755 1.00 55.43 C ATOM 331 CG PRO A 24 11.869 -4.992 10.207 1.00 2.33 C ATOM 332 CD PRO A 24 11.972 -6.405 9.699 1.00 25.13 C ATOM 0 HA PRO A 24 14.945 -5.269 8.998 1.00 75.01 H new ATOM 0 HB2 PRO A 24 13.367 -3.478 10.418 1.00 55.43 H new ATOM 0 HB3 PRO A 24 12.987 -3.883 8.757 1.00 55.43 H new ATOM 0 HG2 PRO A 24 11.786 -4.973 11.294 1.00 2.33 H new ATOM 0 HG3 PRO A 24 10.982 -4.498 9.811 1.00 2.33 H new ATOM 0 HD2 PRO A 24 11.499 -7.113 10.380 1.00 25.13 H new ATOM 0 HD3 PRO A 24 11.485 -6.521 8.731 1.00 25.13 H new ATOM 340 N ALA A 25 16.066 -4.620 11.103 1.00 41.01 N ATOM 341 CA ALA A 25 16.888 -4.502 12.301 1.00 63.44 C ATOM 342 C ALA A 25 16.546 -3.236 13.079 1.00 30.11 C ATOM 343 O ALA A 25 16.388 -2.162 12.497 1.00 75.14 O ATOM 344 CB ALA A 25 18.364 -4.514 11.930 1.00 64.11 C ATOM 0 H ALA A 25 16.416 -4.100 10.298 1.00 41.01 H new ATOM 0 HA ALA A 25 16.678 -5.358 12.942 1.00 63.44 H new ATOM 0 HB1 ALA A 25 18.967 -4.425 12.834 1.00 64.11 H new ATOM 0 HB2 ALA A 25 18.604 -5.449 11.424 1.00 64.11 H new ATOM 0 HB3 ALA A 25 18.579 -3.676 11.266 1.00 64.11 H new ATOM 350 N ILE A 26 16.434 -3.369 14.397 1.00 43.00 N ATOM 351 CA ILE A 26 16.111 -2.235 15.253 1.00 13.15 C ATOM 352 C ILE A 26 17.337 -1.765 16.028 1.00 11.44 C ATOM 353 O ILE A 26 18.121 -2.575 16.520 1.00 75.40 O ATOM 354 CB ILE A 26 14.990 -2.585 16.251 1.00 42.33 C ATOM 355 CG1 ILE A 26 13.622 -2.248 15.653 1.00 52.34 C ATOM 356 CG2 ILE A 26 15.199 -1.843 17.563 1.00 30.32 C ATOM 357 CD1 ILE A 26 13.207 -0.809 15.869 1.00 11.12 C ATOM 0 H ILE A 26 16.562 -4.250 14.894 1.00 43.00 H new ATOM 0 HA ILE A 26 15.768 -1.433 14.599 1.00 13.15 H new ATOM 0 HB ILE A 26 15.023 -3.656 16.453 1.00 42.33 H new ATOM 0 HG12 ILE A 26 13.641 -2.456 14.583 1.00 52.34 H new ATOM 0 HG13 ILE A 26 12.871 -2.904 16.092 1.00 52.34 H new ATOM 0 HG21 ILE A 26 14.400 -2.100 18.258 1.00 30.32 H new ATOM 0 HG22 ILE A 26 16.159 -2.128 17.993 1.00 30.32 H new ATOM 0 HG23 ILE A 26 15.188 -0.769 17.379 1.00 30.32 H new ATOM 0 HD11 ILE A 26 12.228 -0.641 15.419 1.00 11.12 H new ATOM 0 HD12 ILE A 26 13.156 -0.602 16.938 1.00 11.12 H new ATOM 0 HD13 ILE A 26 13.938 -0.146 15.406 1.00 11.12 H new ATOM 369 N ASN A 27 17.495 -0.450 16.133 1.00 72.15 N ATOM 370 CA ASN A 27 18.625 0.130 16.850 1.00 74.24 C ATOM 371 C ASN A 27 19.944 -0.252 16.184 1.00 65.44 C ATOM 372 O ASN A 27 20.804 -0.883 16.799 1.00 74.45 O ATOM 373 CB ASN A 27 18.624 -0.334 18.308 1.00 42.11 C ATOM 374 CG ASN A 27 17.285 -0.113 18.983 1.00 53.35 C ATOM 375 OD1 ASN A 27 16.827 -0.946 19.767 1.00 33.42 O ATOM 376 ND2 ASN A 27 16.649 1.012 18.682 1.00 65.05 N ATOM 0 H ASN A 27 16.855 0.235 15.731 1.00 72.15 H new ATOM 0 HA ASN A 27 18.524 1.215 16.822 1.00 74.24 H new ATOM 0 HB2 ASN A 27 18.879 -1.393 18.350 1.00 42.11 H new ATOM 0 HB3 ASN A 27 19.398 0.202 18.858 1.00 42.11 H new ATOM 0 HD21 ASN A 27 15.743 1.215 19.105 1.00 65.05 H new ATOM 0 HD22 ASN A 27 17.066 1.674 18.027 1.00 65.05 H new ATOM 383 N VAL A 28 20.098 0.137 14.921 1.00 63.23 N ATOM 384 CA VAL A 28 21.312 -0.162 14.173 1.00 64.00 C ATOM 385 C VAL A 28 22.047 1.116 13.785 1.00 62.33 C ATOM 386 O VAL A 28 21.575 1.886 12.948 1.00 75.42 O ATOM 387 CB VAL A 28 21.001 -0.969 12.899 1.00 51.21 C ATOM 388 CG1 VAL A 28 22.266 -1.193 12.085 1.00 23.21 C ATOM 389 CG2 VAL A 28 20.346 -2.295 13.255 1.00 70.12 C ATOM 0 H VAL A 28 19.397 0.660 14.396 1.00 63.23 H new ATOM 0 HA VAL A 28 21.948 -0.759 14.827 1.00 64.00 H new ATOM 0 HB VAL A 28 20.302 -0.396 12.290 1.00 51.21 H new ATOM 0 HG11 VAL A 28 22.025 -1.765 11.189 1.00 23.21 H new ATOM 0 HG12 VAL A 28 22.689 -0.230 11.798 1.00 23.21 H new ATOM 0 HG13 VAL A 28 22.991 -1.744 12.684 1.00 23.21 H new ATOM 0 HG21 VAL A 28 20.133 -2.852 12.343 1.00 70.12 H new ATOM 0 HG22 VAL A 28 21.019 -2.875 13.886 1.00 70.12 H new ATOM 0 HG23 VAL A 28 19.416 -2.109 13.792 1.00 70.12 H new ATOM 399 N ALA A 29 23.207 1.335 14.396 1.00 51.31 N ATOM 400 CA ALA A 29 24.009 2.518 14.113 1.00 14.44 C ATOM 401 C ALA A 29 24.335 2.617 12.627 1.00 34.01 C ATOM 402 O ALA A 29 24.852 1.672 12.030 1.00 1.50 O ATOM 403 CB ALA A 29 25.288 2.498 14.936 1.00 51.41 C ATOM 0 H ALA A 29 23.612 0.708 15.091 1.00 51.31 H new ATOM 0 HA ALA A 29 23.426 3.397 14.390 1.00 14.44 H new ATOM 0 HB1 ALA A 29 25.877 3.388 14.714 1.00 51.41 H new ATOM 0 HB2 ALA A 29 25.038 2.483 15.997 1.00 51.41 H new ATOM 0 HB3 ALA A 29 25.867 1.608 14.687 1.00 51.41 H new ATOM 409 N VAL A 30 24.030 3.767 12.033 1.00 53.05 N ATOM 410 CA VAL A 30 24.292 3.989 10.616 1.00 30.12 C ATOM 411 C VAL A 30 24.835 5.393 10.371 1.00 13.12 C ATOM 412 O VAL A 30 24.267 6.380 10.840 1.00 14.35 O ATOM 413 CB VAL A 30 23.018 3.789 9.773 1.00 12.13 C ATOM 414 CG1 VAL A 30 23.302 4.062 8.303 1.00 20.24 C ATOM 415 CG2 VAL A 30 22.468 2.383 9.965 1.00 21.10 C ATOM 0 H VAL A 30 23.601 4.559 12.512 1.00 53.05 H new ATOM 0 HA VAL A 30 25.039 3.256 10.313 1.00 30.12 H new ATOM 0 HB VAL A 30 22.264 4.500 10.111 1.00 12.13 H new ATOM 0 HG11 VAL A 30 22.391 3.916 7.723 1.00 20.24 H new ATOM 0 HG12 VAL A 30 23.647 5.089 8.184 1.00 20.24 H new ATOM 0 HG13 VAL A 30 24.072 3.377 7.948 1.00 20.24 H new ATOM 0 HG21 VAL A 30 21.568 2.259 9.362 1.00 21.10 H new ATOM 0 HG22 VAL A 30 23.216 1.654 9.654 1.00 21.10 H new ATOM 0 HG23 VAL A 30 22.225 2.228 11.016 1.00 21.10 H new ATOM 425 N HIS A 31 25.937 5.475 9.633 1.00 64.03 N ATOM 426 CA HIS A 31 26.557 6.758 9.324 1.00 64.42 C ATOM 427 C HIS A 31 26.679 6.954 7.816 1.00 32.44 C ATOM 428 O HIS A 31 27.298 6.147 7.123 1.00 61.22 O ATOM 429 CB HIS A 31 27.937 6.852 9.975 1.00 31.03 C ATOM 430 CG HIS A 31 27.969 6.348 11.386 1.00 51.53 C ATOM 431 ND1 HIS A 31 28.000 5.008 11.707 1.00 72.45 N ATOM 432 CD2 HIS A 31 27.976 7.016 12.564 1.00 62.03 C ATOM 433 CE1 HIS A 31 28.023 4.872 13.020 1.00 20.24 C ATOM 434 NE2 HIS A 31 28.010 6.076 13.564 1.00 41.10 N ATOM 0 H HIS A 31 26.419 4.668 9.238 1.00 64.03 H new ATOM 0 HA HIS A 31 25.920 7.546 9.725 1.00 64.42 H new ATOM 0 HB2 HIS A 31 28.651 6.284 9.379 1.00 31.03 H new ATOM 0 HB3 HIS A 31 28.266 7.891 9.961 1.00 31.03 H new ATOM 0 HD2 HIS A 31 27.958 8.088 12.693 1.00 62.03 H new ATOM 0 HE1 HIS A 31 28.048 3.936 13.558 1.00 20.24 H new ATOM 0 HE2 HIS A 31 28.023 6.275 14.564 1.00 41.10 H new ATOM 442 N VAL A 32 26.082 8.029 7.313 1.00 24.00 N ATOM 443 CA VAL A 32 26.123 8.332 5.887 1.00 4.03 C ATOM 444 C VAL A 32 27.151 9.416 5.586 1.00 11.32 C ATOM 445 O VAL A 32 27.285 10.385 6.332 1.00 31.44 O ATOM 446 CB VAL A 32 24.745 8.787 5.370 1.00 4.31 C ATOM 447 CG1 VAL A 32 24.747 8.869 3.851 1.00 52.25 C ATOM 448 CG2 VAL A 32 23.655 7.848 5.861 1.00 32.45 C ATOM 0 H VAL A 32 25.563 8.706 7.872 1.00 24.00 H new ATOM 0 HA VAL A 32 26.408 7.413 5.375 1.00 4.03 H new ATOM 0 HB VAL A 32 24.538 9.782 5.764 1.00 4.31 H new ATOM 0 HG11 VAL A 32 23.766 9.192 3.503 1.00 52.25 H new ATOM 0 HG12 VAL A 32 25.501 9.586 3.526 1.00 52.25 H new ATOM 0 HG13 VAL A 32 24.975 7.888 3.434 1.00 52.25 H new ATOM 0 HG21 VAL A 32 22.689 8.185 5.486 1.00 32.45 H new ATOM 0 HG22 VAL A 32 23.853 6.839 5.499 1.00 32.45 H new ATOM 0 HG23 VAL A 32 23.641 7.846 6.951 1.00 32.45 H new ATOM 458 N PHE A 33 27.877 9.244 4.485 1.00 51.12 N ATOM 459 CA PHE A 33 28.895 10.209 4.083 1.00 51.45 C ATOM 460 C PHE A 33 28.820 10.486 2.584 1.00 55.55 C ATOM 461 O PHE A 33 28.171 9.752 1.838 1.00 10.22 O ATOM 462 CB PHE A 33 30.288 9.693 4.449 1.00 10.20 C ATOM 463 CG PHE A 33 30.598 9.792 5.915 1.00 4.40 C ATOM 464 CD1 PHE A 33 30.022 8.913 6.819 1.00 34.41 C ATOM 465 CD2 PHE A 33 31.464 10.764 6.390 1.00 65.40 C ATOM 466 CE1 PHE A 33 30.306 9.001 8.169 1.00 11.13 C ATOM 467 CE2 PHE A 33 31.751 10.855 7.738 1.00 73.04 C ATOM 468 CZ PHE A 33 31.170 9.974 8.630 1.00 5.30 C ATOM 0 H PHE A 33 27.779 8.447 3.856 1.00 51.12 H new ATOM 0 HA PHE A 33 28.708 11.141 4.616 1.00 51.45 H new ATOM 0 HB2 PHE A 33 30.375 8.652 4.137 1.00 10.20 H new ATOM 0 HB3 PHE A 33 31.034 10.257 3.889 1.00 10.20 H new ATOM 0 HD1 PHE A 33 29.344 8.151 6.465 1.00 34.41 H new ATOM 0 HD2 PHE A 33 31.919 11.458 5.699 1.00 65.40 H new ATOM 0 HE1 PHE A 33 29.852 8.309 8.863 1.00 11.13 H new ATOM 0 HE2 PHE A 33 32.430 11.615 8.095 1.00 73.04 H new ATOM 0 HZ PHE A 33 31.391 10.046 9.685 1.00 5.30 H new ATOM 478 N ARG A 34 29.488 11.550 2.151 1.00 64.43 N ATOM 479 CA ARG A 34 29.496 11.925 0.743 1.00 65.22 C ATOM 480 C ARG A 34 30.921 12.172 0.254 1.00 15.34 C ATOM 481 O ARG A 34 31.774 12.638 1.008 1.00 10.42 O ATOM 482 CB ARG A 34 28.645 13.178 0.522 1.00 44.03 C ATOM 483 CG ARG A 34 28.513 13.574 -0.940 1.00 42.14 C ATOM 484 CD ARG A 34 29.496 14.673 -1.310 1.00 65.22 C ATOM 485 NE ARG A 34 29.224 15.228 -2.633 1.00 22.33 N ATOM 486 CZ ARG A 34 29.432 14.564 -3.765 1.00 13.23 C ATOM 487 NH1 ARG A 34 29.910 13.328 -3.735 1.00 32.51 N1+ ATOM 488 NH2 ARG A 34 29.160 15.136 -4.931 1.00 1.52 N ATOM 0 H ARG A 34 30.031 12.167 2.755 1.00 64.43 H new ATOM 0 HA ARG A 34 29.072 11.100 0.171 1.00 65.22 H new ATOM 0 HB2 ARG A 34 27.651 13.009 0.935 1.00 44.03 H new ATOM 0 HB3 ARG A 34 29.084 14.008 1.076 1.00 44.03 H new ATOM 0 HG2 ARG A 34 28.686 12.702 -1.571 1.00 42.14 H new ATOM 0 HG3 ARG A 34 27.496 13.913 -1.136 1.00 42.14 H new ATOM 0 HD2 ARG A 34 29.447 15.468 -0.566 1.00 65.22 H new ATOM 0 HD3 ARG A 34 30.511 14.275 -1.285 1.00 65.22 H new ATOM 0 HE ARG A 34 28.854 16.177 -2.691 1.00 22.33 H new ATOM 0 HH11 ARG A 34 30.119 12.884 -2.841 1.00 32.51 H new ATOM 0 HH12 ARG A 34 30.068 12.821 -4.606 1.00 32.51 H new ATOM 0 HH21 ARG A 34 28.791 16.086 -4.959 1.00 1.52 H new ATOM 0 HH22 ARG A 34 29.320 14.625 -5.799 1.00 1.52 H new ATOM 502 N LYS A 35 31.169 11.855 -1.012 1.00 52.41 N ATOM 503 CA LYS A 35 32.488 12.041 -1.603 1.00 13.50 C ATOM 504 C LYS A 35 32.826 13.525 -1.723 1.00 22.12 C ATOM 505 O LYS A 35 32.255 14.236 -2.549 1.00 23.40 O ATOM 506 CB LYS A 35 32.551 11.380 -2.982 1.00 52.13 C ATOM 507 CG LYS A 35 33.657 11.925 -3.869 1.00 14.31 C ATOM 508 CD LYS A 35 35.030 11.676 -3.265 1.00 53.52 C ATOM 509 CE LYS A 35 35.395 10.201 -3.304 1.00 23.31 C ATOM 510 NZ LYS A 35 36.341 9.893 -4.412 1.00 21.52 N1+ ATOM 0 H LYS A 35 30.473 11.468 -1.649 1.00 52.41 H new ATOM 0 HA LYS A 35 33.221 11.570 -0.948 1.00 13.50 H new ATOM 0 HB2 LYS A 35 32.695 10.307 -2.855 1.00 52.13 H new ATOM 0 HB3 LYS A 35 31.594 11.516 -3.485 1.00 52.13 H new ATOM 0 HG2 LYS A 35 33.600 11.457 -4.852 1.00 14.31 H new ATOM 0 HG3 LYS A 35 33.512 12.995 -4.017 1.00 14.31 H new ATOM 0 HD2 LYS A 35 35.778 12.252 -3.810 1.00 53.52 H new ATOM 0 HD3 LYS A 35 35.045 12.029 -2.234 1.00 53.52 H new ATOM 0 HE2 LYS A 35 35.843 9.912 -2.353 1.00 23.31 H new ATOM 0 HE3 LYS A 35 34.490 9.606 -3.423 1.00 23.31 H new ATOM 0 HZ1 LYS A 35 36.565 8.878 -4.405 1.00 21.52 H new ATOM 0 HZ2 LYS A 35 35.904 10.145 -5.322 1.00 21.52 H new ATOM 0 HZ3 LYS A 35 37.215 10.442 -4.285 1.00 21.52 H new ATOM 524 N ALA A 36 33.758 13.983 -0.894 1.00 11.43 N ATOM 525 CA ALA A 36 34.174 15.380 -0.911 1.00 5.53 C ATOM 526 C ALA A 36 34.996 15.694 -2.156 1.00 3.33 C ATOM 527 O ALA A 36 35.601 14.803 -2.753 1.00 43.41 O ATOM 528 CB ALA A 36 34.968 15.709 0.345 1.00 65.22 C ATOM 0 H ALA A 36 34.239 13.408 -0.203 1.00 11.43 H new ATOM 0 HA ALA A 36 33.278 16.000 -0.934 1.00 5.53 H new ATOM 0 HB1 ALA A 36 35.272 16.755 0.319 1.00 65.22 H new ATOM 0 HB2 ALA A 36 34.348 15.533 1.224 1.00 65.22 H new ATOM 0 HB3 ALA A 36 35.853 15.075 0.392 1.00 65.22 H new ATOM 534 N ALA A 37 35.014 16.966 -2.543 1.00 31.41 N ATOM 535 CA ALA A 37 35.763 17.396 -3.716 1.00 53.45 C ATOM 536 C ALA A 37 37.247 17.078 -3.569 1.00 42.42 C ATOM 537 O ALA A 37 37.978 17.012 -4.557 1.00 11.14 O ATOM 538 CB ALA A 37 35.562 18.886 -3.953 1.00 43.21 C ATOM 0 H ALA A 37 34.518 17.716 -2.061 1.00 31.41 H new ATOM 0 HA ALA A 37 35.385 16.847 -4.578 1.00 53.45 H new ATOM 0 HB1 ALA A 37 36.127 19.194 -4.833 1.00 43.21 H new ATOM 0 HB2 ALA A 37 34.503 19.089 -4.113 1.00 43.21 H new ATOM 0 HB3 ALA A 37 35.911 19.443 -3.084 1.00 43.21 H new ATOM 544 N ASP A 38 37.684 16.882 -2.329 1.00 21.45 N ATOM 545 CA ASP A 38 39.081 16.569 -2.052 1.00 71.21 C ATOM 546 C ASP A 38 39.296 15.061 -1.978 1.00 42.43 C ATOM 547 O ASP A 38 40.312 14.593 -1.464 1.00 64.32 O ATOM 548 CB ASP A 38 39.522 17.225 -0.743 1.00 40.43 C ATOM 549 CG ASP A 38 40.147 18.588 -0.960 1.00 61.52 C ATOM 550 OD1 ASP A 38 39.436 19.498 -1.440 1.00 35.52 O ATOM 551 OD2 ASP A 38 41.347 18.748 -0.651 1.00 52.21 O1- ATOM 0 H ASP A 38 37.091 16.934 -1.501 1.00 21.45 H new ATOM 0 HA ASP A 38 39.685 16.964 -2.869 1.00 71.21 H new ATOM 0 HB2 ASP A 38 38.661 17.325 -0.082 1.00 40.43 H new ATOM 0 HB3 ASP A 38 40.238 16.576 -0.238 1.00 40.43 H new ATOM 556 N ASP A 39 38.334 14.305 -2.494 1.00 23.33 N ATOM 557 CA ASP A 39 38.417 12.849 -2.487 1.00 64.41 C ATOM 558 C ASP A 39 38.390 12.311 -1.060 1.00 62.43 C ATOM 559 O ASP A 39 39.059 11.326 -0.742 1.00 42.41 O ATOM 560 CB ASP A 39 39.691 12.387 -3.196 1.00 53.30 C ATOM 561 CG ASP A 39 40.059 13.278 -4.365 1.00 11.54 C ATOM 562 OD1 ASP A 39 39.289 13.315 -5.347 1.00 1.24 O ATOM 563 OD2 ASP A 39 41.118 13.936 -4.300 1.00 73.02 O1- ATOM 0 H ASP A 39 37.486 14.676 -2.923 1.00 23.33 H new ATOM 0 HA ASP A 39 37.551 12.457 -3.020 1.00 64.41 H new ATOM 0 HB2 ASP A 39 40.515 12.370 -2.482 1.00 53.30 H new ATOM 0 HB3 ASP A 39 39.556 11.365 -3.550 1.00 53.30 H new ATOM 568 N THR A 40 37.612 12.962 -0.201 1.00 24.15 N ATOM 569 CA THR A 40 37.500 12.552 1.193 1.00 43.05 C ATOM 570 C THR A 40 36.067 12.156 1.535 1.00 61.51 C ATOM 571 O THR A 40 35.178 12.215 0.687 1.00 34.22 O ATOM 572 CB THR A 40 37.952 13.672 2.147 1.00 44.50 C ATOM 573 OG1 THR A 40 36.928 14.667 2.256 1.00 41.21 O ATOM 574 CG2 THR A 40 39.240 14.315 1.655 1.00 21.33 C ATOM 0 H THR A 40 37.049 13.777 -0.447 1.00 24.15 H new ATOM 0 HA THR A 40 38.154 11.690 1.322 1.00 43.05 H new ATOM 0 HB THR A 40 38.135 13.231 3.127 1.00 44.50 H new ATOM 0 HG1 THR A 40 37.223 15.375 2.866 1.00 41.21 H new ATOM 0 HG21 THR A 40 39.540 15.104 2.345 1.00 21.33 H new ATOM 0 HG22 THR A 40 40.026 13.561 1.602 1.00 21.33 H new ATOM 0 HG23 THR A 40 39.079 14.741 0.665 1.00 21.33 H new ATOM 582 N TRP A 41 35.853 11.752 2.782 1.00 45.03 N ATOM 583 CA TRP A 41 34.527 11.347 3.236 1.00 2.42 C ATOM 584 C TRP A 41 33.914 12.409 4.143 1.00 70.44 C ATOM 585 O TRP A 41 34.326 12.569 5.291 1.00 32.21 O ATOM 586 CB TRP A 41 34.605 10.011 3.976 1.00 70.13 C ATOM 587 CG TRP A 41 34.819 8.839 3.065 1.00 74.41 C ATOM 588 CD1 TRP A 41 35.569 8.816 1.924 1.00 33.11 C ATOM 589 CD2 TRP A 41 34.275 7.524 3.219 1.00 44.32 C ATOM 590 NE1 TRP A 41 35.524 7.564 1.359 1.00 50.54 N ATOM 591 CE2 TRP A 41 34.739 6.754 2.135 1.00 44.12 C ATOM 592 CE3 TRP A 41 33.445 6.922 4.167 1.00 73.52 C ATOM 593 CZ2 TRP A 41 34.396 5.413 1.975 1.00 60.44 C ATOM 594 CZ3 TRP A 41 33.106 5.592 4.008 1.00 61.10 C ATOM 595 CH2 TRP A 41 33.581 4.849 2.919 1.00 75.05 C ATOM 0 H TRP A 41 36.579 11.696 3.496 1.00 45.03 H new ATOM 0 HA TRP A 41 33.890 11.232 2.359 1.00 2.42 H new ATOM 0 HB2 TRP A 41 35.418 10.052 4.701 1.00 70.13 H new ATOM 0 HB3 TRP A 41 33.684 9.861 4.539 1.00 70.13 H new ATOM 0 HD1 TRP A 41 36.116 9.657 1.525 1.00 33.11 H new ATOM 0 HE1 TRP A 41 35.998 7.284 0.501 1.00 50.54 H new ATOM 0 HE3 TRP A 41 33.074 7.486 5.010 1.00 73.52 H new ATOM 0 HZ2 TRP A 41 34.760 4.839 1.136 1.00 60.44 H new ATOM 0 HZ3 TRP A 41 32.464 5.117 4.735 1.00 61.10 H new ATOM 0 HH2 TRP A 41 33.299 3.811 2.823 1.00 75.05 H new ATOM 606 N GLU A 42 32.929 13.131 3.619 1.00 73.10 N ATOM 607 CA GLU A 42 32.261 14.178 4.384 1.00 54.20 C ATOM 608 C GLU A 42 31.000 13.642 5.055 1.00 4.34 C ATOM 609 O GLU A 42 30.352 12.715 4.567 1.00 73.22 O ATOM 610 CB GLU A 42 31.905 15.356 3.474 1.00 31.41 C ATOM 611 CG GLU A 42 33.091 16.246 3.138 1.00 53.13 C ATOM 612 CD GLU A 42 33.342 17.305 4.192 1.00 51.31 C ATOM 613 OE1 GLU A 42 32.552 18.270 4.264 1.00 60.43 O1- ATOM 614 OE2 GLU A 42 34.330 17.172 4.945 1.00 64.44 O ATOM 0 H GLU A 42 32.576 13.011 2.670 1.00 73.10 H new ATOM 0 HA GLU A 42 32.947 14.520 5.159 1.00 54.20 H new ATOM 0 HB2 GLU A 42 31.476 14.972 2.548 1.00 31.41 H new ATOM 0 HB3 GLU A 42 31.135 15.958 3.957 1.00 31.41 H new ATOM 0 HG2 GLU A 42 33.983 15.630 3.028 1.00 53.13 H new ATOM 0 HG3 GLU A 42 32.917 16.729 2.177 1.00 53.13 H new ATOM 621 N PRO A 43 30.643 14.237 6.203 1.00 54.34 N ATOM 622 CA PRO A 43 29.458 13.835 6.967 1.00 24.43 C ATOM 623 C PRO A 43 28.159 14.203 6.257 1.00 42.40 C ATOM 624 O PRO A 43 27.853 15.381 6.070 1.00 63.02 O ATOM 625 CB PRO A 43 29.594 14.621 8.273 1.00 15.11 C ATOM 626 CG PRO A 43 30.420 15.809 7.915 1.00 23.24 C ATOM 627 CD PRO A 43 31.367 15.347 6.843 1.00 63.44 C ATOM 0 HA PRO A 43 29.410 12.755 7.107 1.00 24.43 H new ATOM 0 HB2 PRO A 43 28.619 14.918 8.660 1.00 15.11 H new ATOM 0 HB3 PRO A 43 30.075 14.023 9.047 1.00 15.11 H new ATOM 0 HG2 PRO A 43 29.794 16.626 7.557 1.00 23.24 H new ATOM 0 HG3 PRO A 43 30.965 16.182 8.783 1.00 23.24 H new ATOM 0 HD2 PRO A 43 31.590 16.144 6.133 1.00 63.44 H new ATOM 0 HD3 PRO A 43 32.318 15.018 7.262 1.00 63.44 H new ATOM 635 N PHE A 44 27.396 13.188 5.864 1.00 23.33 N ATOM 636 CA PHE A 44 26.130 13.404 5.175 1.00 30.03 C ATOM 637 C PHE A 44 24.953 13.229 6.131 1.00 11.52 C ATOM 638 O PHE A 44 23.997 14.003 6.104 1.00 21.02 O ATOM 639 CB PHE A 44 25.993 12.436 3.998 1.00 54.34 C ATOM 640 CG PHE A 44 24.749 12.651 3.185 1.00 42.35 C ATOM 641 CD1 PHE A 44 23.529 12.160 3.620 1.00 23.01 C ATOM 642 CD2 PHE A 44 24.798 13.346 1.987 1.00 4.03 C ATOM 643 CE1 PHE A 44 22.381 12.356 2.875 1.00 44.13 C ATOM 644 CE2 PHE A 44 23.654 13.546 1.238 1.00 24.11 C ATOM 645 CZ PHE A 44 22.444 13.049 1.683 1.00 75.12 C ATOM 0 H PHE A 44 27.633 12.207 6.011 1.00 23.33 H new ATOM 0 HA PHE A 44 26.121 14.427 4.798 1.00 30.03 H new ATOM 0 HB2 PHE A 44 26.863 12.540 3.350 1.00 54.34 H new ATOM 0 HB3 PHE A 44 25.998 11.414 4.377 1.00 54.34 H new ATOM 0 HD1 PHE A 44 23.474 11.618 4.552 1.00 23.01 H new ATOM 0 HD2 PHE A 44 25.741 13.736 1.635 1.00 4.03 H new ATOM 0 HE1 PHE A 44 21.436 11.967 3.225 1.00 44.13 H new ATOM 0 HE2 PHE A 44 23.706 14.090 0.306 1.00 24.11 H new ATOM 0 HZ PHE A 44 21.549 13.203 1.099 1.00 75.12 H new ATOM 655 N ALA A 45 25.031 12.204 6.974 1.00 71.23 N ATOM 656 CA ALA A 45 23.975 11.927 7.940 1.00 64.43 C ATOM 657 C ALA A 45 24.394 10.829 8.912 1.00 24.31 C ATOM 658 O ALA A 45 25.469 10.246 8.778 1.00 5.31 O ATOM 659 CB ALA A 45 22.692 11.536 7.220 1.00 55.21 C ATOM 0 H ALA A 45 25.815 11.552 7.007 1.00 71.23 H new ATOM 0 HA ALA A 45 23.795 12.835 8.515 1.00 64.43 H new ATOM 0 HB1 ALA A 45 21.911 11.332 7.953 1.00 55.21 H new ATOM 0 HB2 ALA A 45 22.376 12.353 6.571 1.00 55.21 H new ATOM 0 HB3 ALA A 45 22.869 10.643 6.620 1.00 55.21 H new ATOM 665 N SER A 46 23.537 10.554 9.890 1.00 61.42 N ATOM 666 CA SER A 46 23.821 9.529 10.888 1.00 20.23 C ATOM 667 C SER A 46 22.599 9.271 11.765 1.00 55.20 C ATOM 668 O SER A 46 21.731 10.130 11.907 1.00 65.33 O ATOM 669 CB SER A 46 25.007 9.949 11.758 1.00 30.24 C ATOM 670 OG SER A 46 24.819 9.547 13.104 1.00 45.23 O ATOM 0 H SER A 46 22.641 11.026 10.013 1.00 61.42 H new ATOM 0 HA SER A 46 24.072 8.607 10.364 1.00 20.23 H new ATOM 0 HB2 SER A 46 25.923 9.506 11.367 1.00 30.24 H new ATOM 0 HB3 SER A 46 25.131 11.031 11.712 1.00 30.24 H new ATOM 0 HG SER A 46 25.591 9.826 13.639 1.00 45.23 H new ATOM 676 N GLY A 47 22.539 8.078 12.349 1.00 22.52 N ATOM 677 CA GLY A 47 21.420 7.726 13.203 1.00 13.24 C ATOM 678 C GLY A 47 21.281 6.228 13.389 1.00 23.24 C ATOM 679 O GLY A 47 22.248 5.483 13.229 1.00 53.34 O ATOM 0 H GLY A 47 23.245 7.349 12.246 1.00 22.52 H new ATOM 0 HA2 GLY A 47 21.547 8.200 14.177 1.00 13.24 H new ATOM 0 HA3 GLY A 47 20.500 8.122 12.773 1.00 13.24 H new ATOM 683 N LYS A 48 20.076 5.785 13.731 1.00 71.53 N ATOM 684 CA LYS A 48 19.813 4.366 13.940 1.00 65.33 C ATOM 685 C LYS A 48 18.570 3.925 13.175 1.00 1.25 C ATOM 686 O LYS A 48 17.537 4.594 13.206 1.00 42.23 O ATOM 687 CB LYS A 48 19.636 4.074 15.432 1.00 75.34 C ATOM 688 CG LYS A 48 20.913 3.625 16.120 1.00 22.40 C ATOM 689 CD LYS A 48 20.681 3.335 17.593 1.00 43.34 C ATOM 690 CE LYS A 48 20.340 4.602 18.364 1.00 30.21 C ATOM 691 NZ LYS A 48 20.963 4.614 19.716 1.00 35.43 N1+ ATOM 0 H LYS A 48 19.266 6.389 13.869 1.00 71.53 H new ATOM 0 HA LYS A 48 20.668 3.804 13.564 1.00 65.33 H new ATOM 0 HB2 LYS A 48 19.262 4.970 15.927 1.00 75.34 H new ATOM 0 HB3 LYS A 48 18.876 3.302 15.555 1.00 75.34 H new ATOM 0 HG2 LYS A 48 21.297 2.731 15.628 1.00 22.40 H new ATOM 0 HG3 LYS A 48 21.674 4.398 16.016 1.00 22.40 H new ATOM 0 HD2 LYS A 48 19.871 2.614 17.700 1.00 43.34 H new ATOM 0 HD3 LYS A 48 21.573 2.877 18.020 1.00 43.34 H new ATOM 0 HE2 LYS A 48 20.678 5.472 17.801 1.00 30.21 H new ATOM 0 HE3 LYS A 48 19.258 4.687 18.462 1.00 30.21 H new ATOM 0 HZ1 LYS A 48 20.707 5.493 20.209 1.00 35.43 H new ATOM 0 HZ2 LYS A 48 20.621 3.798 20.263 1.00 35.43 H new ATOM 0 HZ3 LYS A 48 21.997 4.559 19.622 1.00 35.43 H new ATOM 705 N THR A 49 18.676 2.792 12.486 1.00 51.42 N ATOM 706 CA THR A 49 17.561 2.260 11.712 1.00 70.12 C ATOM 707 C THR A 49 16.345 2.012 12.599 1.00 10.11 C ATOM 708 O THR A 49 16.426 2.118 13.822 1.00 53.44 O ATOM 709 CB THR A 49 17.943 0.946 11.006 1.00 52.42 C ATOM 710 OG1 THR A 49 18.111 -0.098 11.972 1.00 74.22 O ATOM 711 CG2 THR A 49 19.226 1.115 10.207 1.00 34.12 C ATOM 0 H THR A 49 19.523 2.225 12.449 1.00 51.42 H new ATOM 0 HA THR A 49 17.313 3.009 10.960 1.00 70.12 H new ATOM 0 HB THR A 49 17.139 0.680 10.320 1.00 52.42 H new ATOM 0 HG1 THR A 49 17.337 -0.698 11.943 1.00 74.22 H new ATOM 0 HG21 THR A 49 19.476 0.174 9.717 1.00 34.12 H new ATOM 0 HG22 THR A 49 19.086 1.890 9.454 1.00 34.12 H new ATOM 0 HG23 THR A 49 20.037 1.402 10.877 1.00 34.12 H new ATOM 719 N SER A 50 15.220 1.684 11.973 1.00 34.50 N ATOM 720 CA SER A 50 13.986 1.425 12.705 1.00 20.42 C ATOM 721 C SER A 50 13.397 0.072 12.315 1.00 73.51 C ATOM 722 O SER A 50 13.901 -0.600 11.417 1.00 35.41 O ATOM 723 CB SER A 50 12.966 2.533 12.437 1.00 43.22 C ATOM 724 OG SER A 50 13.567 3.813 12.538 1.00 64.44 O ATOM 0 H SER A 50 15.137 1.591 10.961 1.00 34.50 H new ATOM 0 HA SER A 50 14.221 1.407 13.769 1.00 20.42 H new ATOM 0 HB2 SER A 50 12.538 2.406 11.442 1.00 43.22 H new ATOM 0 HB3 SER A 50 12.145 2.456 13.149 1.00 43.22 H new ATOM 0 HG SER A 50 13.895 4.091 11.657 1.00 64.44 H new ATOM 730 N GLU A 51 12.327 -0.320 12.999 1.00 30.32 N ATOM 731 CA GLU A 51 11.669 -1.592 12.725 1.00 23.23 C ATOM 732 C GLU A 51 10.974 -1.564 11.367 1.00 40.22 C ATOM 733 O GLU A 51 10.487 -2.587 10.885 1.00 52.42 O ATOM 734 CB GLU A 51 10.653 -1.913 13.823 1.00 74.31 C ATOM 735 CG GLU A 51 9.736 -0.751 14.163 1.00 31.32 C ATOM 736 CD GLU A 51 8.267 -1.111 14.040 1.00 73.14 C ATOM 737 OE1 GLU A 51 7.836 -2.073 14.710 1.00 52.03 O ATOM 738 OE2 GLU A 51 7.552 -0.433 13.275 1.00 65.12 O1- ATOM 0 H GLU A 51 11.897 0.225 13.747 1.00 30.32 H new ATOM 0 HA GLU A 51 12.432 -2.370 12.707 1.00 23.23 H new ATOM 0 HB2 GLU A 51 10.047 -2.763 13.508 1.00 74.31 H new ATOM 0 HB3 GLU A 51 11.187 -2.218 14.723 1.00 74.31 H new ATOM 0 HG2 GLU A 51 9.940 -0.417 15.180 1.00 31.32 H new ATOM 0 HG3 GLU A 51 9.957 0.087 13.502 1.00 31.32 H new ATOM 745 N SER A 52 10.933 -0.386 10.754 1.00 1.54 N ATOM 746 CA SER A 52 10.294 -0.223 9.453 1.00 44.12 C ATOM 747 C SER A 52 11.336 -0.163 8.339 1.00 3.03 C ATOM 748 O SER A 52 11.002 0.029 7.172 1.00 54.51 O ATOM 749 CB SER A 52 9.441 1.048 9.436 1.00 55.52 C ATOM 750 OG SER A 52 8.507 1.019 8.370 1.00 34.12 O ATOM 0 H SER A 52 11.335 0.470 11.137 1.00 1.54 H new ATOM 0 HA SER A 52 9.652 -1.087 9.281 1.00 44.12 H new ATOM 0 HB2 SER A 52 8.913 1.148 10.384 1.00 55.52 H new ATOM 0 HB3 SER A 52 10.085 1.921 9.336 1.00 55.52 H new ATOM 0 HG SER A 52 8.589 1.840 7.841 1.00 34.12 H new ATOM 756 N GLY A 53 12.602 -0.332 8.712 1.00 14.45 N ATOM 757 CA GLY A 53 13.673 -0.295 7.735 1.00 40.03 C ATOM 758 C GLY A 53 13.903 1.097 7.179 1.00 14.23 C ATOM 759 O GLY A 53 14.424 1.251 6.075 1.00 21.34 O ATOM 0 H GLY A 53 12.904 -0.494 9.673 1.00 14.45 H new ATOM 0 HA2 GLY A 53 14.593 -0.656 8.195 1.00 40.03 H new ATOM 0 HA3 GLY A 53 13.438 -0.975 6.917 1.00 40.03 H new ATOM 763 N GLU A 54 13.510 2.110 7.943 1.00 31.13 N ATOM 764 CA GLU A 54 13.674 3.495 7.518 1.00 52.11 C ATOM 765 C GLU A 54 14.327 4.328 8.617 1.00 0.31 C ATOM 766 O GLU A 54 14.204 4.019 9.803 1.00 51.32 O ATOM 767 CB GLU A 54 12.320 4.100 7.142 1.00 40.52 C ATOM 768 CG GLU A 54 11.404 4.332 8.332 1.00 10.03 C ATOM 769 CD GLU A 54 9.975 4.627 7.919 1.00 73.01 C ATOM 770 OE1 GLU A 54 9.355 3.761 7.267 1.00 75.13 O1- ATOM 771 OE2 GLU A 54 9.477 5.724 8.248 1.00 31.31 O ATOM 0 H GLU A 54 13.076 1.998 8.859 1.00 31.13 H new ATOM 0 HA GLU A 54 14.324 3.505 6.643 1.00 52.11 H new ATOM 0 HB2 GLU A 54 12.485 5.049 6.631 1.00 40.52 H new ATOM 0 HB3 GLU A 54 11.821 3.439 6.434 1.00 40.52 H new ATOM 0 HG2 GLU A 54 11.418 3.451 8.974 1.00 10.03 H new ATOM 0 HG3 GLU A 54 11.786 5.164 8.924 1.00 10.03 H new ATOM 778 N LEU A 55 15.022 5.387 8.215 1.00 5.54 N ATOM 779 CA LEU A 55 15.697 6.265 9.165 1.00 34.15 C ATOM 780 C LEU A 55 15.375 7.728 8.876 1.00 70.31 C ATOM 781 O LEU A 55 15.809 8.282 7.866 1.00 34.41 O ATOM 782 CB LEU A 55 17.209 6.044 9.110 1.00 4.21 C ATOM 783 CG LEU A 55 17.908 5.857 10.457 1.00 2.23 C ATOM 784 CD1 LEU A 55 19.404 5.662 10.259 1.00 50.42 C ATOM 785 CD2 LEU A 55 17.641 7.047 11.367 1.00 14.12 C ATOM 0 H LEU A 55 15.133 5.658 7.238 1.00 5.54 H new ATOM 0 HA LEU A 55 15.337 6.022 10.165 1.00 34.15 H new ATOM 0 HB2 LEU A 55 17.406 5.165 8.496 1.00 4.21 H new ATOM 0 HB3 LEU A 55 17.663 6.896 8.603 1.00 4.21 H new ATOM 0 HG LEU A 55 17.504 4.963 10.933 1.00 2.23 H new ATOM 0 HD11 LEU A 55 19.885 5.531 11.228 1.00 50.42 H new ATOM 0 HD12 LEU A 55 19.578 4.778 9.645 1.00 50.42 H new ATOM 0 HD13 LEU A 55 19.822 6.537 9.762 1.00 50.42 H new ATOM 0 HD21 LEU A 55 18.146 6.896 12.321 1.00 14.12 H new ATOM 0 HD22 LEU A 55 18.017 7.956 10.897 1.00 14.12 H new ATOM 0 HD23 LEU A 55 16.568 7.143 11.536 1.00 14.12 H new ATOM 797 N HIS A 56 14.613 8.349 9.771 1.00 5.15 N ATOM 798 CA HIS A 56 14.235 9.749 9.613 1.00 13.42 C ATOM 799 C HIS A 56 15.250 10.665 10.291 1.00 51.22 C ATOM 800 O HIS A 56 15.814 10.323 11.330 1.00 34.12 O ATOM 801 CB HIS A 56 12.843 9.992 10.196 1.00 32.12 C ATOM 802 CG HIS A 56 12.762 9.755 11.672 1.00 53.30 C ATOM 803 ND1 HIS A 56 13.116 10.703 12.608 1.00 23.11 N ATOM 804 CD2 HIS A 56 12.361 8.668 12.374 1.00 72.43 C ATOM 805 CE1 HIS A 56 12.939 10.209 13.821 1.00 1.32 C ATOM 806 NE2 HIS A 56 12.481 8.976 13.706 1.00 3.25 N ATOM 0 H HIS A 56 14.245 7.905 10.613 1.00 5.15 H new ATOM 0 HA HIS A 56 14.219 9.978 8.547 1.00 13.42 H new ATOM 0 HB2 HIS A 56 12.544 11.018 9.984 1.00 32.12 H new ATOM 0 HB3 HIS A 56 12.128 9.341 9.692 1.00 32.12 H new ATOM 0 HD2 HIS A 56 12.012 7.733 11.962 1.00 72.43 H new ATOM 0 HE1 HIS A 56 13.136 10.726 14.749 1.00 1.32 H new ATOM 0 HE2 HIS A 56 12.253 8.353 14.481 1.00 3.25 H new ATOM 814 N GLY A 57 15.479 11.831 9.694 1.00 61.41 N ATOM 815 CA GLY A 57 16.427 12.777 10.254 1.00 74.22 C ATOM 816 C GLY A 57 17.695 12.883 9.430 1.00 32.15 C ATOM 817 O GLY A 57 18.394 13.896 9.482 1.00 74.24 O ATOM 0 H GLY A 57 15.025 12.137 8.833 1.00 61.41 H new ATOM 0 HA2 GLY A 57 15.959 13.759 10.322 1.00 74.22 H new ATOM 0 HA3 GLY A 57 16.681 12.474 11.270 1.00 74.22 H new ATOM 821 N LEU A 58 17.994 11.836 8.670 1.00 71.24 N ATOM 822 CA LEU A 58 19.188 11.814 7.832 1.00 13.14 C ATOM 823 C LEU A 58 18.959 12.585 6.537 1.00 72.13 C ATOM 824 O LEU A 58 19.902 13.083 5.923 1.00 54.40 O ATOM 825 CB LEU A 58 19.588 10.372 7.517 1.00 52.25 C ATOM 826 CG LEU A 58 20.400 9.650 8.593 1.00 45.12 C ATOM 827 CD1 LEU A 58 19.488 9.138 9.697 1.00 71.41 C ATOM 828 CD2 LEU A 58 21.196 8.506 7.983 1.00 33.14 C ATOM 0 H LEU A 58 17.426 10.990 8.616 1.00 71.24 H new ATOM 0 HA LEU A 58 19.996 12.296 8.382 1.00 13.14 H new ATOM 0 HB2 LEU A 58 18.681 9.798 7.328 1.00 52.25 H new ATOM 0 HB3 LEU A 58 20.165 10.370 6.592 1.00 52.25 H new ATOM 0 HG LEU A 58 21.101 10.361 9.030 1.00 45.12 H new ATOM 0 HD11 LEU A 58 20.084 8.627 10.453 1.00 71.41 H new ATOM 0 HD12 LEU A 58 18.963 9.977 10.154 1.00 71.41 H new ATOM 0 HD13 LEU A 58 18.762 8.442 9.276 1.00 71.41 H new ATOM 0 HD21 LEU A 58 21.768 8.004 8.763 1.00 33.14 H new ATOM 0 HD22 LEU A 58 20.513 7.795 7.519 1.00 33.14 H new ATOM 0 HD23 LEU A 58 21.878 8.899 7.229 1.00 33.14 H new ATOM 840 N THR A 59 17.697 12.682 6.127 1.00 63.43 N ATOM 841 CA THR A 59 17.343 13.393 4.905 1.00 22.11 C ATOM 842 C THR A 59 17.641 14.883 5.030 1.00 64.24 C ATOM 843 O THR A 59 17.194 15.540 5.970 1.00 72.41 O ATOM 844 CB THR A 59 15.854 13.207 4.558 1.00 73.42 C ATOM 845 OG1 THR A 59 15.036 13.746 5.604 1.00 35.32 O ATOM 846 CG2 THR A 59 15.524 11.735 4.359 1.00 74.22 C ATOM 0 H THR A 59 16.904 12.277 6.624 1.00 63.43 H new ATOM 0 HA THR A 59 17.951 12.969 4.106 1.00 22.11 H new ATOM 0 HB THR A 59 15.652 13.738 3.628 1.00 73.42 H new ATOM 0 HG1 THR A 59 15.460 14.550 5.969 1.00 35.32 H new ATOM 0 HG21 THR A 59 14.467 11.629 4.115 1.00 74.22 H new ATOM 0 HG22 THR A 59 16.127 11.334 3.544 1.00 74.22 H new ATOM 0 HG23 THR A 59 15.742 11.186 5.275 1.00 74.22 H new ATOM 854 N THR A 60 18.400 15.412 4.075 1.00 12.24 N ATOM 855 CA THR A 60 18.758 16.825 4.079 1.00 43.44 C ATOM 856 C THR A 60 19.003 17.332 2.662 1.00 34.10 C ATOM 857 O THR A 60 18.986 16.560 1.705 1.00 22.23 O ATOM 858 CB THR A 60 20.016 17.082 4.929 1.00 21.12 C ATOM 859 OG1 THR A 60 21.067 16.193 4.533 1.00 74.34 O ATOM 860 CG2 THR A 60 19.717 16.896 6.408 1.00 41.12 C ATOM 0 H THR A 60 18.778 14.883 3.289 1.00 12.24 H new ATOM 0 HA THR A 60 17.917 17.365 4.515 1.00 43.44 H new ATOM 0 HB THR A 60 20.333 18.112 4.766 1.00 21.12 H new ATOM 0 HG1 THR A 60 21.863 16.365 5.078 1.00 74.34 H new ATOM 0 HG21 THR A 60 20.621 17.083 6.988 1.00 41.12 H new ATOM 0 HG22 THR A 60 18.939 17.596 6.713 1.00 41.12 H new ATOM 0 HG23 THR A 60 19.377 15.876 6.585 1.00 41.12 H new ATOM 868 N GLU A 61 19.231 18.636 2.537 1.00 14.50 N ATOM 869 CA GLU A 61 19.480 19.246 1.236 1.00 24.54 C ATOM 870 C GLU A 61 20.797 18.752 0.646 1.00 54.52 C ATOM 871 O GLU A 61 21.064 18.935 -0.541 1.00 63.11 O ATOM 872 CB GLU A 61 19.504 20.772 1.360 1.00 35.23 C ATOM 873 CG GLU A 61 20.527 21.285 2.360 1.00 25.21 C ATOM 874 CD GLU A 61 20.976 22.702 2.059 1.00 70.35 C ATOM 875 OE1 GLU A 61 20.214 23.642 2.367 1.00 33.30 O ATOM 876 OE2 GLU A 61 22.088 22.870 1.518 1.00 13.54 O1- ATOM 0 H GLU A 61 19.248 19.289 3.320 1.00 14.50 H new ATOM 0 HA GLU A 61 18.671 18.955 0.566 1.00 24.54 H new ATOM 0 HB2 GLU A 61 19.716 21.204 0.382 1.00 35.23 H new ATOM 0 HB3 GLU A 61 18.514 21.120 1.655 1.00 35.23 H new ATOM 0 HG2 GLU A 61 20.100 21.248 3.362 1.00 25.21 H new ATOM 0 HG3 GLU A 61 21.394 20.625 2.358 1.00 25.21 H new ATOM 883 N GLU A 62 21.617 18.125 1.485 1.00 72.32 N ATOM 884 CA GLU A 62 22.907 17.606 1.046 1.00 31.42 C ATOM 885 C GLU A 62 22.725 16.508 0.002 1.00 1.45 C ATOM 886 O GLU A 62 23.667 16.143 -0.700 1.00 71.41 O ATOM 887 CB GLU A 62 23.696 17.065 2.240 1.00 1.21 C ATOM 888 CG GLU A 62 24.649 18.078 2.850 1.00 10.03 C ATOM 889 CD GLU A 62 25.151 17.658 4.218 1.00 2.43 C ATOM 890 OE1 GLU A 62 24.380 17.767 5.193 1.00 32.10 O1- ATOM 891 OE2 GLU A 62 26.317 17.217 4.311 1.00 75.13 O ATOM 0 H GLU A 62 21.411 17.965 2.471 1.00 72.32 H new ATOM 0 HA GLU A 62 23.465 18.425 0.592 1.00 31.42 H new ATOM 0 HB2 GLU A 62 22.996 16.731 3.006 1.00 1.21 H new ATOM 0 HB3 GLU A 62 24.264 16.190 1.923 1.00 1.21 H new ATOM 0 HG2 GLU A 62 25.499 18.219 2.183 1.00 10.03 H new ATOM 0 HG3 GLU A 62 24.145 19.041 2.932 1.00 10.03 H new ATOM 898 N GLU A 63 21.506 15.985 -0.093 1.00 1.55 N ATOM 899 CA GLU A 63 21.201 14.928 -1.049 1.00 2.15 C ATOM 900 C GLU A 63 21.322 15.440 -2.482 1.00 33.05 C ATOM 901 O GLU A 63 21.360 14.657 -3.432 1.00 33.04 O ATOM 902 CB GLU A 63 19.792 14.383 -0.809 1.00 4.33 C ATOM 903 CG GLU A 63 18.690 15.373 -1.148 1.00 54.34 C ATOM 904 CD GLU A 63 18.291 15.323 -2.610 1.00 22.40 C ATOM 905 OE1 GLU A 63 17.852 14.249 -3.070 1.00 61.14 O ATOM 906 OE2 GLU A 63 18.418 16.360 -3.295 1.00 12.13 O1- ATOM 0 H GLU A 63 20.714 16.276 0.481 1.00 1.55 H new ATOM 0 HA GLU A 63 21.923 14.124 -0.905 1.00 2.15 H new ATOM 0 HB2 GLU A 63 19.654 13.481 -1.405 1.00 4.33 H new ATOM 0 HB3 GLU A 63 19.698 14.091 0.237 1.00 4.33 H new ATOM 0 HG2 GLU A 63 17.817 15.165 -0.530 1.00 54.34 H new ATOM 0 HG3 GLU A 63 19.023 16.381 -0.900 1.00 54.34 H new ATOM 913 N PHE A 64 21.380 16.759 -2.630 1.00 14.24 N ATOM 914 CA PHE A 64 21.495 17.376 -3.946 1.00 42.31 C ATOM 915 C PHE A 64 22.946 17.380 -4.421 1.00 11.50 C ATOM 916 O PHE A 64 23.505 18.430 -4.738 1.00 32.43 O ATOM 917 CB PHE A 64 20.955 18.807 -3.911 1.00 12.40 C ATOM 918 CG PHE A 64 20.588 19.344 -5.265 1.00 41.53 C ATOM 919 CD1 PHE A 64 19.593 18.739 -6.018 1.00 45.43 C ATOM 920 CD2 PHE A 64 21.236 20.451 -5.786 1.00 43.22 C ATOM 921 CE1 PHE A 64 19.253 19.230 -7.264 1.00 42.01 C ATOM 922 CE2 PHE A 64 20.901 20.947 -7.032 1.00 2.15 C ATOM 923 CZ PHE A 64 19.907 20.335 -7.771 1.00 13.33 C ATOM 0 H PHE A 64 21.349 17.421 -1.855 1.00 14.24 H new ATOM 0 HA PHE A 64 20.903 16.788 -4.647 1.00 42.31 H new ATOM 0 HB2 PHE A 64 20.077 18.839 -3.266 1.00 12.40 H new ATOM 0 HB3 PHE A 64 21.705 19.459 -3.462 1.00 12.40 H new ATOM 0 HD1 PHE A 64 19.078 17.874 -5.626 1.00 45.43 H new ATOM 0 HD2 PHE A 64 22.013 20.933 -5.212 1.00 43.22 H new ATOM 0 HE1 PHE A 64 18.476 18.750 -7.841 1.00 42.01 H new ATOM 0 HE2 PHE A 64 21.415 21.811 -7.427 1.00 2.15 H new ATOM 0 HZ PHE A 64 19.642 20.721 -8.744 1.00 13.33 H new ATOM 933 N VAL A 65 23.550 16.196 -4.466 1.00 14.35 N ATOM 934 CA VAL A 65 24.935 16.061 -4.902 1.00 53.13 C ATOM 935 C VAL A 65 25.038 15.174 -6.138 1.00 62.20 C ATOM 936 O VAL A 65 24.028 14.717 -6.671 1.00 61.02 O ATOM 937 CB VAL A 65 25.819 15.475 -3.786 1.00 52.31 C ATOM 938 CG1 VAL A 65 25.944 16.455 -2.631 1.00 53.55 C ATOM 939 CG2 VAL A 65 25.259 14.143 -3.308 1.00 75.10 C ATOM 0 H VAL A 65 23.102 15.317 -4.206 1.00 14.35 H new ATOM 0 HA VAL A 65 25.290 17.062 -5.147 1.00 53.13 H new ATOM 0 HB VAL A 65 26.816 15.301 -4.191 1.00 52.31 H new ATOM 0 HG11 VAL A 65 26.573 16.022 -1.853 1.00 53.55 H new ATOM 0 HG12 VAL A 65 26.394 17.382 -2.987 1.00 53.55 H new ATOM 0 HG13 VAL A 65 24.955 16.665 -2.224 1.00 53.55 H new ATOM 0 HG21 VAL A 65 25.896 13.743 -2.519 1.00 75.10 H new ATOM 0 HG22 VAL A 65 24.251 14.290 -2.921 1.00 75.10 H new ATOM 0 HG23 VAL A 65 25.229 13.441 -4.141 1.00 75.10 H new ATOM 949 N GLU A 66 26.267 14.935 -6.586 1.00 2.51 N ATOM 950 CA GLU A 66 26.501 14.102 -7.761 1.00 74.43 C ATOM 951 C GLU A 66 25.747 12.780 -7.649 1.00 23.21 C ATOM 952 O GLU A 66 25.075 12.356 -8.587 1.00 2.04 O ATOM 953 CB GLU A 66 27.998 13.835 -7.932 1.00 20.43 C ATOM 954 CG GLU A 66 28.806 15.082 -8.250 1.00 34.14 C ATOM 955 CD GLU A 66 29.001 15.286 -9.741 1.00 41.54 C ATOM 956 OE1 GLU A 66 28.121 14.858 -10.517 1.00 10.42 O1- ATOM 957 OE2 GLU A 66 30.032 15.873 -10.130 1.00 71.33 O ATOM 0 H GLU A 66 27.114 15.305 -6.155 1.00 2.51 H new ATOM 0 HA GLU A 66 26.132 14.638 -8.635 1.00 74.43 H new ATOM 0 HB2 GLU A 66 28.385 13.385 -7.018 1.00 20.43 H new ATOM 0 HB3 GLU A 66 28.140 13.107 -8.731 1.00 20.43 H new ATOM 0 HG2 GLU A 66 28.303 15.953 -7.830 1.00 34.14 H new ATOM 0 HG3 GLU A 66 29.780 15.013 -7.766 1.00 34.14 H new ATOM 964 N GLY A 67 25.866 12.134 -6.494 1.00 71.33 N ATOM 965 CA GLY A 67 25.191 10.866 -6.280 1.00 61.34 C ATOM 966 C GLY A 67 25.997 9.919 -5.414 1.00 70.12 C ATOM 967 O GLY A 67 25.482 8.902 -4.949 1.00 52.23 O ATOM 0 H GLY A 67 26.417 12.465 -5.702 1.00 71.33 H new ATOM 0 HA2 GLY A 67 24.224 11.047 -5.812 1.00 61.34 H new ATOM 0 HA3 GLY A 67 24.995 10.395 -7.243 1.00 61.34 H new ATOM 971 N ILE A 68 27.266 10.250 -5.201 1.00 31.34 N ATOM 972 CA ILE A 68 28.144 9.420 -4.386 1.00 24.21 C ATOM 973 C ILE A 68 27.732 9.457 -2.918 1.00 41.21 C ATOM 974 O ILE A 68 27.618 10.528 -2.321 1.00 52.24 O ATOM 975 CB ILE A 68 29.613 9.869 -4.505 1.00 2.11 C ATOM 976 CG1 ILE A 68 30.076 9.794 -5.962 1.00 53.05 C ATOM 977 CG2 ILE A 68 30.503 9.014 -3.616 1.00 43.11 C ATOM 978 CD1 ILE A 68 31.110 10.837 -6.323 1.00 24.51 C ATOM 0 H ILE A 68 27.709 11.087 -5.581 1.00 31.34 H new ATOM 0 HA ILE A 68 28.051 8.401 -4.761 1.00 24.21 H new ATOM 0 HB ILE A 68 29.689 10.904 -4.172 1.00 2.11 H new ATOM 0 HG12 ILE A 68 30.489 8.804 -6.153 1.00 53.05 H new ATOM 0 HG13 ILE A 68 29.212 9.910 -6.616 1.00 53.05 H new ATOM 0 HG21 ILE A 68 31.537 9.344 -3.712 1.00 43.11 H new ATOM 0 HG22 ILE A 68 30.185 9.114 -2.578 1.00 43.11 H new ATOM 0 HG23 ILE A 68 30.426 7.970 -3.920 1.00 43.11 H new ATOM 0 HD11 ILE A 68 31.391 10.724 -7.370 1.00 24.51 H new ATOM 0 HD12 ILE A 68 30.694 11.832 -6.165 1.00 24.51 H new ATOM 0 HD13 ILE A 68 31.991 10.708 -5.695 1.00 24.51 H new ATOM 990 N TYR A 69 27.510 8.281 -2.343 1.00 43.21 N ATOM 991 CA TYR A 69 27.108 8.177 -0.945 1.00 1.03 C ATOM 992 C TYR A 69 27.750 6.963 -0.282 1.00 42.24 C ATOM 993 O TYR A 69 27.627 5.838 -0.767 1.00 25.42 O ATOM 994 CB TYR A 69 25.585 8.087 -0.835 1.00 41.35 C ATOM 995 CG TYR A 69 24.863 9.271 -1.438 1.00 60.55 C ATOM 996 CD1 TYR A 69 25.070 10.557 -0.954 1.00 42.53 C ATOM 997 CD2 TYR A 69 23.974 9.104 -2.493 1.00 31.35 C ATOM 998 CE1 TYR A 69 24.412 11.641 -1.502 1.00 61.22 C ATOM 999 CE2 TYR A 69 23.313 10.182 -3.047 1.00 73.53 C ATOM 1000 CZ TYR A 69 23.534 11.449 -2.548 1.00 22.23 C ATOM 1001 OH TYR A 69 22.878 12.526 -3.098 1.00 34.52 O ATOM 0 H TYR A 69 27.602 7.386 -2.823 1.00 43.21 H new ATOM 0 HA TYR A 69 27.450 9.074 -0.428 1.00 1.03 H new ATOM 0 HB2 TYR A 69 25.247 7.176 -1.329 1.00 41.35 H new ATOM 0 HB3 TYR A 69 25.310 8.001 0.216 1.00 41.35 H new ATOM 0 HD1 TYR A 69 25.757 10.712 -0.135 1.00 42.53 H new ATOM 0 HD2 TYR A 69 23.797 8.114 -2.886 1.00 31.35 H new ATOM 0 HE1 TYR A 69 24.584 12.634 -1.113 1.00 61.22 H new ATOM 0 HE2 TYR A 69 22.626 10.034 -3.867 1.00 73.53 H new ATOM 0 HH TYR A 69 22.091 12.741 -2.556 1.00 34.52 H new ATOM 1011 N LYS A 70 28.436 7.198 0.832 1.00 53.02 N ATOM 1012 CA LYS A 70 29.096 6.124 1.565 1.00 22.35 C ATOM 1013 C LYS A 70 28.460 5.932 2.938 1.00 44.40 C ATOM 1014 O LYS A 70 28.692 6.718 3.857 1.00 32.24 O ATOM 1015 CB LYS A 70 30.588 6.429 1.721 1.00 11.12 C ATOM 1016 CG LYS A 70 31.335 6.499 0.400 1.00 64.32 C ATOM 1017 CD LYS A 70 31.284 7.896 -0.196 1.00 64.11 C ATOM 1018 CE LYS A 70 32.577 8.657 0.055 1.00 50.51 C ATOM 1019 NZ LYS A 70 33.600 8.374 -0.990 1.00 34.32 N1+ ATOM 0 H LYS A 70 28.549 8.123 1.247 1.00 53.02 H new ATOM 0 HA LYS A 70 28.976 5.202 0.996 1.00 22.35 H new ATOM 0 HB2 LYS A 70 30.704 7.378 2.245 1.00 11.12 H new ATOM 0 HB3 LYS A 70 31.044 5.662 2.347 1.00 11.12 H new ATOM 0 HG2 LYS A 70 32.374 6.205 0.552 1.00 64.32 H new ATOM 0 HG3 LYS A 70 30.902 5.787 -0.302 1.00 64.32 H new ATOM 0 HD2 LYS A 70 31.103 7.829 -1.269 1.00 64.11 H new ATOM 0 HD3 LYS A 70 30.447 8.446 0.235 1.00 64.11 H new ATOM 0 HE2 LYS A 70 32.370 9.727 0.080 1.00 50.51 H new ATOM 0 HE3 LYS A 70 32.973 8.386 1.034 1.00 50.51 H new ATOM 0 HZ1 LYS A 70 34.410 7.883 -0.559 1.00 34.32 H new ATOM 0 HZ2 LYS A 70 33.184 7.772 -1.729 1.00 34.32 H new ATOM 0 HZ3 LYS A 70 33.922 9.268 -1.412 1.00 34.32 H new ATOM 1033 N VAL A 71 27.659 4.881 3.071 1.00 65.12 N ATOM 1034 CA VAL A 71 26.991 4.583 4.333 1.00 43.30 C ATOM 1035 C VAL A 71 27.682 3.436 5.063 1.00 4.12 C ATOM 1036 O VAL A 71 28.103 2.459 4.445 1.00 32.12 O ATOM 1037 CB VAL A 71 25.511 4.219 4.113 1.00 43.54 C ATOM 1038 CG1 VAL A 71 24.843 3.873 5.435 1.00 72.13 C ATOM 1039 CG2 VAL A 71 24.780 5.358 3.419 1.00 13.51 C ATOM 0 H VAL A 71 27.456 4.221 2.320 1.00 65.12 H new ATOM 0 HA VAL A 71 27.049 5.485 4.942 1.00 43.30 H new ATOM 0 HB VAL A 71 25.463 3.341 3.469 1.00 43.54 H new ATOM 0 HG11 VAL A 71 23.798 3.619 5.259 1.00 72.13 H new ATOM 0 HG12 VAL A 71 25.352 3.022 5.888 1.00 72.13 H new ATOM 0 HG13 VAL A 71 24.900 4.730 6.107 1.00 72.13 H new ATOM 0 HG21 VAL A 71 23.735 5.084 3.271 1.00 13.51 H new ATOM 0 HG22 VAL A 71 24.836 6.255 4.035 1.00 13.51 H new ATOM 0 HG23 VAL A 71 25.244 5.553 2.452 1.00 13.51 H new ATOM 1049 N GLU A 72 27.794 3.564 6.382 1.00 21.11 N ATOM 1050 CA GLU A 72 28.435 2.538 7.195 1.00 23.21 C ATOM 1051 C GLU A 72 27.507 2.075 8.316 1.00 64.10 C ATOM 1052 O GLU A 72 26.829 2.885 8.949 1.00 4.11 O ATOM 1053 CB GLU A 72 29.742 3.068 7.788 1.00 23.23 C ATOM 1054 CG GLU A 72 29.560 3.814 9.099 1.00 11.22 C ATOM 1055 CD GLU A 72 30.657 4.830 9.349 1.00 2.12 C ATOM 1056 OE1 GLU A 72 31.177 5.395 8.365 1.00 13.44 O ATOM 1057 OE2 GLU A 72 30.995 5.059 10.530 1.00 15.25 O1- ATOM 0 H GLU A 72 27.450 4.367 6.909 1.00 21.11 H new ATOM 0 HA GLU A 72 28.655 1.686 6.552 1.00 23.21 H new ATOM 0 HB2 GLU A 72 30.423 2.232 7.947 1.00 23.23 H new ATOM 0 HB3 GLU A 72 30.216 3.732 7.065 1.00 23.23 H new ATOM 0 HG2 GLU A 72 28.595 4.321 9.093 1.00 11.22 H new ATOM 0 HG3 GLU A 72 29.539 3.098 9.920 1.00 11.22 H new ATOM 1064 N ILE A 73 27.483 0.768 8.555 1.00 64.22 N ATOM 1065 CA ILE A 73 26.641 0.197 9.597 1.00 54.32 C ATOM 1066 C ILE A 73 27.481 -0.504 10.661 1.00 14.42 C ATOM 1067 O ILE A 73 28.445 -1.200 10.344 1.00 11.03 O ATOM 1068 CB ILE A 73 25.627 -0.805 9.017 1.00 65.52 C ATOM 1069 CG1 ILE A 73 24.737 -0.120 7.977 1.00 2.33 C ATOM 1070 CG2 ILE A 73 24.783 -1.410 10.128 1.00 24.31 C ATOM 1071 CD1 ILE A 73 24.628 -0.884 6.676 1.00 1.34 C ATOM 0 H ILE A 73 28.038 0.085 8.040 1.00 64.22 H new ATOM 0 HA ILE A 73 26.099 1.026 10.053 1.00 54.32 H new ATOM 0 HB ILE A 73 26.175 -1.609 8.526 1.00 65.52 H new ATOM 0 HG12 ILE A 73 23.739 0.013 8.396 1.00 2.33 H new ATOM 0 HG13 ILE A 73 25.132 0.875 7.772 1.00 2.33 H new ATOM 0 HG21 ILE A 73 24.071 -2.116 9.701 1.00 24.31 H new ATOM 0 HG22 ILE A 73 25.430 -1.930 10.835 1.00 24.31 H new ATOM 0 HG23 ILE A 73 24.242 -0.618 10.646 1.00 24.31 H new ATOM 0 HD11 ILE A 73 23.982 -0.339 5.987 1.00 1.34 H new ATOM 0 HD12 ILE A 73 25.619 -0.994 6.235 1.00 1.34 H new ATOM 0 HD13 ILE A 73 24.205 -1.870 6.867 1.00 1.34 H new ATOM 1083 N ASP A 74 27.107 -0.315 11.921 1.00 44.44 N ATOM 1084 CA ASP A 74 27.823 -0.933 13.031 1.00 10.11 C ATOM 1085 C ASP A 74 27.032 -2.105 13.604 1.00 13.42 C ATOM 1086 O ASP A 74 26.310 -1.958 14.591 1.00 64.24 O ATOM 1087 CB ASP A 74 28.095 0.099 14.127 1.00 20.22 C ATOM 1088 CG ASP A 74 29.432 -0.118 14.808 1.00 1.12 C ATOM 1089 OD1 ASP A 74 29.515 -1.006 15.681 1.00 62.12 O1- ATOM 1090 OD2 ASP A 74 30.395 0.601 14.468 1.00 11.04 O ATOM 0 H ASP A 74 26.313 0.261 12.200 1.00 44.44 H new ATOM 0 HA ASP A 74 28.773 -1.310 12.653 1.00 10.11 H new ATOM 0 HB2 ASP A 74 28.069 1.099 13.695 1.00 20.22 H new ATOM 0 HB3 ASP A 74 27.300 0.053 14.871 1.00 20.22 H new ATOM 1095 N THR A 75 27.172 -3.269 12.978 1.00 2.21 N ATOM 1096 CA THR A 75 26.470 -4.466 13.423 1.00 43.11 C ATOM 1097 C THR A 75 27.418 -5.429 14.129 1.00 52.03 C ATOM 1098 O THR A 75 27.066 -6.578 14.396 1.00 42.55 O ATOM 1099 CB THR A 75 25.799 -5.195 12.244 1.00 63.11 C ATOM 1100 OG1 THR A 75 26.773 -5.504 11.240 1.00 13.12 O ATOM 1101 CG2 THR A 75 24.693 -4.344 11.639 1.00 71.34 C ATOM 0 H THR A 75 27.766 -3.408 12.160 1.00 2.21 H new ATOM 0 HA THR A 75 25.701 -4.139 14.123 1.00 43.11 H new ATOM 0 HB THR A 75 25.360 -6.119 12.621 1.00 63.11 H new ATOM 0 HG1 THR A 75 26.435 -6.223 10.666 1.00 13.12 H new ATOM 0 HG21 THR A 75 24.234 -4.880 10.808 1.00 71.34 H new ATOM 0 HG22 THR A 75 23.938 -4.136 12.397 1.00 71.34 H new ATOM 0 HG23 THR A 75 25.113 -3.405 11.277 1.00 71.34 H new ATOM 1109 N LYS A 76 28.622 -4.954 14.428 1.00 11.51 N ATOM 1110 CA LYS A 76 29.622 -5.773 15.105 1.00 2.32 C ATOM 1111 C LYS A 76 29.428 -5.728 16.617 1.00 63.31 C ATOM 1112 O LYS A 76 29.511 -6.753 17.294 1.00 10.13 O ATOM 1113 CB LYS A 76 31.030 -5.294 14.745 1.00 70.33 C ATOM 1114 CG LYS A 76 31.284 -3.837 15.089 1.00 30.31 C ATOM 1115 CD LYS A 76 31.998 -3.694 16.423 1.00 0.13 C ATOM 1116 CE LYS A 76 33.508 -3.757 16.256 1.00 10.32 C ATOM 1117 NZ LYS A 76 34.076 -2.445 15.839 1.00 64.52 N1+ ATOM 0 H LYS A 76 28.930 -4.006 14.212 1.00 11.51 H new ATOM 0 HA LYS A 76 29.499 -6.804 14.772 1.00 2.32 H new ATOM 0 HB2 LYS A 76 31.760 -5.914 15.266 1.00 70.33 H new ATOM 0 HB3 LYS A 76 31.192 -5.440 13.677 1.00 70.33 H new ATOM 0 HG2 LYS A 76 31.883 -3.376 14.304 1.00 30.31 H new ATOM 0 HG3 LYS A 76 30.336 -3.300 15.123 1.00 30.31 H new ATOM 0 HD2 LYS A 76 31.721 -2.747 16.885 1.00 0.13 H new ATOM 0 HD3 LYS A 76 31.672 -4.485 17.098 1.00 0.13 H new ATOM 0 HE2 LYS A 76 33.964 -4.068 17.196 1.00 10.32 H new ATOM 0 HE3 LYS A 76 33.760 -4.514 15.513 1.00 10.32 H new ATOM 0 HZ1 LYS A 76 35.107 -2.530 15.736 1.00 64.52 H new ATOM 0 HZ2 LYS A 76 33.660 -2.160 14.930 1.00 64.52 H new ATOM 0 HZ3 LYS A 76 33.858 -1.728 16.560 1.00 64.52 H new ATOM 1131 N SER A 77 29.168 -4.534 17.140 1.00 12.32 N ATOM 1132 CA SER A 77 28.964 -4.357 18.574 1.00 40.54 C ATOM 1133 C SER A 77 27.491 -4.515 18.937 1.00 72.24 C ATOM 1134 O SER A 77 27.145 -5.247 19.864 1.00 3.31 O ATOM 1135 CB SER A 77 29.464 -2.979 19.013 1.00 24.54 C ATOM 1136 OG SER A 77 29.030 -1.969 18.119 1.00 62.42 O ATOM 0 H SER A 77 29.094 -3.676 16.594 1.00 12.32 H new ATOM 0 HA SER A 77 29.533 -5.127 19.096 1.00 40.54 H new ATOM 0 HB2 SER A 77 29.101 -2.760 20.017 1.00 24.54 H new ATOM 0 HB3 SER A 77 30.553 -2.982 19.061 1.00 24.54 H new ATOM 0 HG SER A 77 29.631 -1.937 17.345 1.00 62.42 H new ATOM 1142 N TYR A 78 26.629 -3.824 18.200 1.00 33.14 N ATOM 1143 CA TYR A 78 25.194 -3.886 18.445 1.00 43.04 C ATOM 1144 C TYR A 78 24.709 -5.331 18.482 1.00 22.45 C ATOM 1145 O TYR A 78 23.707 -5.646 19.126 1.00 1.02 O ATOM 1146 CB TYR A 78 24.437 -3.111 17.364 1.00 4.32 C ATOM 1147 CG TYR A 78 24.278 -1.639 17.673 1.00 61.13 C ATOM 1148 CD1 TYR A 78 23.184 -1.174 18.391 1.00 52.42 C ATOM 1149 CD2 TYR A 78 25.225 -0.715 17.247 1.00 50.52 C ATOM 1150 CE1 TYR A 78 23.036 0.170 18.674 1.00 61.52 C ATOM 1151 CE2 TYR A 78 25.085 0.630 17.528 1.00 70.55 C ATOM 1152 CZ TYR A 78 23.988 1.069 18.241 1.00 70.05 C ATOM 1153 OH TYR A 78 23.845 2.408 18.523 1.00 34.34 O ATOM 0 H TYR A 78 26.899 -3.215 17.428 1.00 33.14 H new ATOM 0 HA TYR A 78 24.998 -3.431 19.416 1.00 43.04 H new ATOM 0 HB2 TYR A 78 24.963 -3.220 16.415 1.00 4.32 H new ATOM 0 HB3 TYR A 78 23.450 -3.555 17.234 1.00 4.32 H new ATOM 0 HD1 TYR A 78 22.437 -1.874 18.734 1.00 52.42 H new ATOM 0 HD2 TYR A 78 26.084 -1.054 16.687 1.00 50.52 H new ATOM 0 HE1 TYR A 78 22.178 0.515 19.232 1.00 61.52 H new ATOM 0 HE2 TYR A 78 25.831 1.335 17.191 1.00 70.55 H new ATOM 0 HH TYR A 78 24.602 2.904 18.148 1.00 34.34 H new ATOM 1163 N TRP A 79 25.427 -6.207 17.789 1.00 42.11 N ATOM 1164 CA TRP A 79 25.071 -7.621 17.744 1.00 34.33 C ATOM 1165 C TRP A 79 25.302 -8.285 19.098 1.00 45.25 C ATOM 1166 O TRP A 79 24.538 -9.158 19.510 1.00 50.44 O ATOM 1167 CB TRP A 79 25.885 -8.339 16.665 1.00 11.24 C ATOM 1168 CG TRP A 79 25.076 -8.708 15.459 1.00 33.12 C ATOM 1169 CD1 TRP A 79 25.199 -9.840 14.705 1.00 13.21 C ATOM 1170 CD2 TRP A 79 24.023 -7.941 14.865 1.00 23.44 C ATOM 1171 NE1 TRP A 79 24.285 -9.823 13.679 1.00 13.32 N ATOM 1172 CE2 TRP A 79 23.551 -8.668 13.756 1.00 40.35 C ATOM 1173 CE3 TRP A 79 23.431 -6.710 15.165 1.00 60.30 C ATOM 1174 CZ2 TRP A 79 22.517 -8.205 12.947 1.00 71.44 C ATOM 1175 CZ3 TRP A 79 22.406 -6.251 14.360 1.00 22.15 C ATOM 1176 CH2 TRP A 79 21.956 -6.998 13.263 1.00 55.42 C ATOM 0 H TRP A 79 26.259 -5.964 17.251 1.00 42.11 H new ATOM 0 HA TRP A 79 24.011 -7.695 17.500 1.00 34.33 H new ATOM 0 HB2 TRP A 79 26.712 -7.699 16.357 1.00 11.24 H new ATOM 0 HB3 TRP A 79 26.323 -9.242 17.091 1.00 11.24 H new ATOM 0 HD1 TRP A 79 25.910 -10.632 14.888 1.00 13.21 H new ATOM 0 HE1 TRP A 79 24.171 -10.552 12.974 1.00 13.32 H new ATOM 0 HE3 TRP A 79 23.769 -6.129 16.010 1.00 60.30 H new ATOM 0 HZ2 TRP A 79 22.170 -8.778 12.100 1.00 71.44 H new ATOM 0 HZ3 TRP A 79 21.944 -5.300 14.580 1.00 22.15 H new ATOM 0 HH2 TRP A 79 21.150 -6.613 12.655 1.00 55.42 H new ATOM 1187 N LYS A 80 26.359 -7.865 19.785 1.00 50.41 N ATOM 1188 CA LYS A 80 26.690 -8.418 21.093 1.00 54.32 C ATOM 1189 C LYS A 80 25.681 -7.966 22.144 1.00 54.00 C ATOM 1190 O LYS A 80 25.580 -8.562 23.217 1.00 50.04 O ATOM 1191 CB LYS A 80 28.100 -7.992 21.507 1.00 61.21 C ATOM 1192 CG LYS A 80 28.154 -6.623 22.161 1.00 73.40 C ATOM 1193 CD LYS A 80 28.340 -6.731 23.666 1.00 71.12 C ATOM 1194 CE LYS A 80 29.782 -7.054 24.028 1.00 24.41 C ATOM 1195 NZ LYS A 80 30.147 -6.528 25.371 1.00 51.34 N1+ ATOM 0 H LYS A 80 27.001 -7.143 19.458 1.00 50.41 H new ATOM 0 HA LYS A 80 26.652 -9.505 21.022 1.00 54.32 H new ATOM 0 HB2 LYS A 80 28.506 -8.731 22.197 1.00 61.21 H new ATOM 0 HB3 LYS A 80 28.743 -7.991 20.627 1.00 61.21 H new ATOM 0 HG2 LYS A 80 28.974 -6.046 21.733 1.00 73.40 H new ATOM 0 HG3 LYS A 80 27.234 -6.079 21.945 1.00 73.40 H new ATOM 0 HD2 LYS A 80 28.047 -5.793 24.138 1.00 71.12 H new ATOM 0 HD3 LYS A 80 27.683 -7.506 24.060 1.00 71.12 H new ATOM 0 HE2 LYS A 80 29.928 -8.134 24.009 1.00 24.41 H new ATOM 0 HE3 LYS A 80 30.449 -6.629 23.278 1.00 24.41 H new ATOM 0 HZ1 LYS A 80 31.137 -6.769 25.581 1.00 51.34 H new ATOM 0 HZ2 LYS A 80 30.032 -5.494 25.382 1.00 51.34 H new ATOM 0 HZ3 LYS A 80 29.528 -6.953 26.090 1.00 51.34 H new ATOM 1209 N ALA A 81 24.937 -6.911 21.830 1.00 25.51 N ATOM 1210 CA ALA A 81 23.935 -6.383 22.747 1.00 23.43 C ATOM 1211 C ALA A 81 22.718 -7.297 22.816 1.00 74.11 C ATOM 1212 O ALA A 81 22.193 -7.570 23.896 1.00 11.21 O ATOM 1213 CB ALA A 81 23.521 -4.980 22.326 1.00 4.11 C ATOM 0 H ALA A 81 25.009 -6.405 20.947 1.00 25.51 H new ATOM 0 HA ALA A 81 24.378 -6.336 23.742 1.00 23.43 H new ATOM 0 HB1 ALA A 81 22.772 -4.598 23.020 1.00 4.11 H new ATOM 0 HB2 ALA A 81 24.392 -4.325 22.336 1.00 4.11 H new ATOM 0 HB3 ALA A 81 23.102 -5.011 21.320 1.00 4.11 H new ATOM 1219 N LEU A 82 22.272 -7.769 21.656 1.00 72.45 N ATOM 1220 CA LEU A 82 21.113 -8.653 21.584 1.00 71.44 C ATOM 1221 C LEU A 82 21.542 -10.116 21.638 1.00 25.04 C ATOM 1222 O LEU A 82 20.762 -11.014 21.324 1.00 54.03 O ATOM 1223 CB LEU A 82 20.323 -8.389 20.302 1.00 34.13 C ATOM 1224 CG LEU A 82 19.791 -6.967 20.123 1.00 12.53 C ATOM 1225 CD1 LEU A 82 19.233 -6.436 21.434 1.00 33.35 C ATOM 1226 CD2 LEU A 82 20.886 -6.050 19.596 1.00 33.50 C ATOM 0 H LEU A 82 22.695 -7.554 20.753 1.00 72.45 H new ATOM 0 HA LEU A 82 20.476 -8.447 22.444 1.00 71.44 H new ATOM 0 HB2 LEU A 82 20.961 -8.627 19.451 1.00 34.13 H new ATOM 0 HB3 LEU A 82 19.479 -9.078 20.271 1.00 34.13 H new ATOM 0 HG LEU A 82 18.983 -6.992 19.392 1.00 12.53 H new ATOM 0 HD11 LEU A 82 18.859 -5.423 21.287 1.00 33.35 H new ATOM 0 HD12 LEU A 82 18.419 -7.078 21.769 1.00 33.35 H new ATOM 0 HD13 LEU A 82 20.021 -6.426 22.187 1.00 33.35 H new ATOM 0 HD21 LEU A 82 20.489 -5.042 19.475 1.00 33.50 H new ATOM 0 HD22 LEU A 82 21.716 -6.031 20.302 1.00 33.50 H new ATOM 0 HD23 LEU A 82 21.238 -6.420 18.633 1.00 33.50 H new ATOM 1238 N GLY A 83 22.787 -10.349 22.043 1.00 74.52 N ATOM 1239 CA GLY A 83 23.297 -11.704 22.133 1.00 61.44 C ATOM 1240 C GLY A 83 23.228 -12.439 20.809 1.00 64.05 C ATOM 1241 O GLY A 83 22.799 -13.592 20.754 1.00 12.21 O ATOM 0 H GLY A 83 23.451 -9.623 22.310 1.00 74.52 H new ATOM 0 HA2 GLY A 83 24.331 -11.678 22.477 1.00 61.44 H new ATOM 0 HA3 GLY A 83 22.726 -12.255 22.881 1.00 61.44 H new ATOM 1245 N ILE A 84 23.649 -11.771 19.740 1.00 55.22 N ATOM 1246 CA ILE A 84 23.632 -12.369 18.411 1.00 13.14 C ATOM 1247 C ILE A 84 24.949 -13.074 18.108 1.00 55.44 C ATOM 1248 O ILE A 84 26.001 -12.692 18.620 1.00 14.52 O ATOM 1249 CB ILE A 84 23.367 -11.312 17.322 1.00 32.24 C ATOM 1250 CG1 ILE A 84 22.172 -10.437 17.710 1.00 51.22 C ATOM 1251 CG2 ILE A 84 23.124 -11.985 15.980 1.00 0.21 C ATOM 1252 CD1 ILE A 84 20.869 -11.200 17.801 1.00 63.44 C ATOM 0 H ILE A 84 24.006 -10.816 19.769 1.00 55.22 H new ATOM 0 HA ILE A 84 22.822 -13.099 18.404 1.00 13.14 H new ATOM 0 HB ILE A 84 24.246 -10.674 17.233 1.00 32.24 H new ATOM 0 HG12 ILE A 84 22.375 -9.964 18.671 1.00 51.22 H new ATOM 0 HG13 ILE A 84 22.065 -9.637 16.978 1.00 51.22 H new ATOM 0 HG21 ILE A 84 22.938 -11.226 15.220 1.00 0.21 H new ATOM 0 HG22 ILE A 84 24.001 -12.569 15.702 1.00 0.21 H new ATOM 0 HG23 ILE A 84 22.258 -12.643 16.054 1.00 0.21 H new ATOM 0 HD11 ILE A 84 20.066 -10.517 18.080 1.00 63.44 H new ATOM 0 HD12 ILE A 84 20.643 -11.650 16.835 1.00 63.44 H new ATOM 0 HD13 ILE A 84 20.958 -11.983 18.554 1.00 63.44 H new ATOM 1264 N SER A 85 24.883 -14.105 17.272 1.00 21.13 N ATOM 1265 CA SER A 85 26.071 -14.866 16.902 1.00 50.52 C ATOM 1266 C SER A 85 27.183 -13.939 16.423 1.00 44.03 C ATOM 1267 O SER A 85 26.947 -12.797 16.029 1.00 31.33 O ATOM 1268 CB SER A 85 25.732 -15.882 15.809 1.00 54.22 C ATOM 1269 OG SER A 85 25.244 -17.090 16.368 1.00 53.22 O ATOM 0 H SER A 85 24.020 -14.433 16.838 1.00 21.13 H new ATOM 0 HA SER A 85 26.421 -15.398 17.787 1.00 50.52 H new ATOM 0 HB2 SER A 85 24.985 -15.461 15.136 1.00 54.22 H new ATOM 0 HB3 SER A 85 26.620 -16.087 15.211 1.00 54.22 H new ATOM 0 HG SER A 85 25.033 -17.722 15.649 1.00 53.22 H new ATOM 1275 N PRO A 86 28.426 -14.441 16.458 1.00 0.11 N ATOM 1276 CA PRO A 86 29.602 -13.675 16.031 1.00 54.45 C ATOM 1277 C PRO A 86 29.629 -13.449 14.523 1.00 45.13 C ATOM 1278 O PRO A 86 30.354 -14.129 13.797 1.00 52.05 O ATOM 1279 CB PRO A 86 30.775 -14.558 16.460 1.00 32.51 C ATOM 1280 CG PRO A 86 30.219 -15.939 16.496 1.00 54.43 C ATOM 1281 CD PRO A 86 28.781 -15.795 16.916 1.00 54.42 C ATOM 0 HA PRO A 86 29.620 -12.677 16.469 1.00 54.45 H new ATOM 0 HB2 PRO A 86 31.604 -14.484 15.756 1.00 32.51 H new ATOM 0 HB3 PRO A 86 31.158 -14.260 17.436 1.00 32.51 H new ATOM 0 HG2 PRO A 86 30.294 -16.416 15.519 1.00 54.43 H new ATOM 0 HG3 PRO A 86 30.770 -16.564 17.199 1.00 54.43 H new ATOM 0 HD2 PRO A 86 28.150 -16.554 16.454 1.00 54.42 H new ATOM 0 HD3 PRO A 86 28.665 -15.898 17.995 1.00 54.42 H new ATOM 1289 N MET A 87 28.835 -12.490 14.058 1.00 52.20 N ATOM 1290 CA MET A 87 28.771 -12.174 12.636 1.00 11.03 C ATOM 1291 C MET A 87 29.807 -11.117 12.266 1.00 60.21 C ATOM 1292 O MET A 87 30.779 -11.404 11.568 1.00 33.13 O ATOM 1293 CB MET A 87 27.371 -11.684 12.264 1.00 52.31 C ATOM 1294 CG MET A 87 26.260 -12.622 12.707 1.00 30.23 C ATOM 1295 SD MET A 87 26.351 -14.234 11.906 1.00 71.42 S ATOM 1296 CE MET A 87 27.497 -15.087 12.986 1.00 23.32 C ATOM 0 H MET A 87 28.227 -11.919 14.645 1.00 52.20 H new ATOM 0 HA MET A 87 28.991 -13.084 12.077 1.00 11.03 H new ATOM 0 HB2 MET A 87 27.207 -10.704 12.712 1.00 52.31 H new ATOM 0 HB3 MET A 87 27.316 -11.554 11.183 1.00 52.31 H new ATOM 0 HG2 MET A 87 26.311 -12.754 13.788 1.00 30.23 H new ATOM 0 HG3 MET A 87 25.295 -12.165 12.487 1.00 30.23 H new ATOM 0 HE1 MET A 87 27.207 -16.135 13.069 1.00 23.32 H new ATOM 0 HE2 MET A 87 28.504 -15.020 12.574 1.00 23.32 H new ATOM 0 HE3 MET A 87 27.478 -14.626 13.973 1.00 23.32 H new ATOM 1306 N HIS A 88 29.593 -9.893 12.740 1.00 53.41 N ATOM 1307 CA HIS A 88 30.509 -8.794 12.460 1.00 33.42 C ATOM 1308 C HIS A 88 30.771 -8.674 10.961 1.00 73.05 C ATOM 1309 O HIS A 88 31.918 -8.561 10.530 1.00 73.13 O ATOM 1310 CB HIS A 88 31.828 -8.998 13.204 1.00 42.20 C ATOM 1311 CG HIS A 88 31.653 -9.473 14.614 1.00 1.22 C ATOM 1312 ND1 HIS A 88 31.354 -8.794 15.746 1.00 11.32 N flip ATOM 1313 CD2 HIS A 88 31.786 -10.794 14.985 1.00 14.24 C flip ATOM 1314 CE1 HIS A 88 31.312 -9.708 16.770 1.00 62.14 C flip ATOM 1315 NE2 HIS A 88 31.576 -10.908 16.284 1.00 62.24 N flip ATOM 0 H HIS A 88 28.793 -9.638 13.320 1.00 53.41 H new ATOM 0 HA HIS A 88 30.045 -7.870 12.806 1.00 33.42 H new ATOM 0 HB2 HIS A 88 32.435 -9.720 12.659 1.00 42.20 H new ATOM 0 HB3 HIS A 88 32.380 -8.058 13.212 1.00 42.20 H new ATOM 0 HD2 HIS A 88 32.025 -11.609 14.317 1.00 14.24 H new ATOM 0 HE1 HIS A 88 31.098 -9.483 17.804 1.00 62.14 H new ATOM 0 HE2 HIS A 88 31.612 -11.775 16.821 1.00 62.24 H new ATOM 1323 N GLU A 89 29.699 -8.697 10.175 1.00 70.23 N ATOM 1324 CA GLU A 89 29.815 -8.593 8.725 1.00 14.34 C ATOM 1325 C GLU A 89 28.974 -7.435 8.194 1.00 75.32 C ATOM 1326 O GLU A 89 28.280 -7.567 7.185 1.00 72.42 O ATOM 1327 CB GLU A 89 29.378 -9.900 8.060 1.00 53.11 C ATOM 1328 CG GLU A 89 30.084 -10.181 6.744 1.00 61.24 C ATOM 1329 CD GLU A 89 29.347 -9.603 5.552 1.00 1.31 C ATOM 1330 OE1 GLU A 89 28.133 -9.869 5.420 1.00 4.11 O ATOM 1331 OE2 GLU A 89 29.981 -8.887 4.750 1.00 3.31 O1- ATOM 0 H GLU A 89 28.742 -8.787 10.517 1.00 70.23 H new ATOM 0 HA GLU A 89 30.861 -8.403 8.483 1.00 14.34 H new ATOM 0 HB2 GLU A 89 29.564 -10.726 8.746 1.00 53.11 H new ATOM 0 HB3 GLU A 89 28.303 -9.867 7.885 1.00 53.11 H new ATOM 0 HG2 GLU A 89 31.091 -9.765 6.780 1.00 61.24 H new ATOM 0 HG3 GLU A 89 30.188 -11.258 6.615 1.00 61.24 H new ATOM 1338 N HIS A 90 29.041 -6.300 8.881 1.00 74.52 N ATOM 1339 CA HIS A 90 28.287 -5.117 8.481 1.00 55.24 C ATOM 1340 C HIS A 90 28.537 -4.786 7.012 1.00 4.33 C ATOM 1341 O HIS A 90 29.681 -4.626 6.588 1.00 31.43 O ATOM 1342 CB HIS A 90 28.666 -3.923 9.357 1.00 13.21 C ATOM 1343 CG HIS A 90 30.122 -3.576 9.300 1.00 63.34 C ATOM 1344 ND1 HIS A 90 31.080 -4.222 10.053 1.00 35.31 N ATOM 1345 CD2 HIS A 90 30.784 -2.646 8.571 1.00 64.40 C ATOM 1346 CE1 HIS A 90 32.266 -3.703 9.792 1.00 72.11 C ATOM 1347 NE2 HIS A 90 32.114 -2.745 8.895 1.00 23.52 N ATOM 0 H HIS A 90 29.610 -6.174 9.718 1.00 74.52 H new ATOM 0 HA HIS A 90 27.226 -5.331 8.612 1.00 55.24 H new ATOM 0 HB2 HIS A 90 28.082 -3.056 9.048 1.00 13.21 H new ATOM 0 HB3 HIS A 90 28.393 -4.139 10.390 1.00 13.21 H new ATOM 0 HD2 HIS A 90 30.347 -1.955 7.866 1.00 64.40 H new ATOM 0 HE1 HIS A 90 33.201 -4.010 10.236 1.00 72.11 H new ATOM 0 HE2 HIS A 90 32.863 -2.172 8.506 1.00 23.52 H new ATOM 1355 N ALA A 91 27.458 -4.684 6.242 1.00 73.52 N ATOM 1356 CA ALA A 91 27.560 -4.371 4.822 1.00 22.23 C ATOM 1357 C ALA A 91 27.512 -2.865 4.588 1.00 61.21 C ATOM 1358 O ALA A 91 26.885 -2.130 5.348 1.00 23.03 O ATOM 1359 CB ALA A 91 26.449 -5.064 4.048 1.00 3.52 C ATOM 0 H ALA A 91 26.504 -4.814 6.578 1.00 73.52 H new ATOM 0 HA ALA A 91 28.521 -4.738 4.462 1.00 22.23 H new ATOM 0 HB1 ALA A 91 26.537 -4.821 2.989 1.00 3.52 H new ATOM 0 HB2 ALA A 91 26.531 -6.143 4.181 1.00 3.52 H new ATOM 0 HB3 ALA A 91 25.481 -4.725 4.418 1.00 3.52 H new ATOM 1365 N GLU A 92 28.178 -2.413 3.530 1.00 73.32 N ATOM 1366 CA GLU A 92 28.212 -0.995 3.197 1.00 2.25 C ATOM 1367 C GLU A 92 27.791 -0.765 1.748 1.00 25.30 C ATOM 1368 O GLU A 92 27.836 -1.678 0.924 1.00 13.50 O ATOM 1369 CB GLU A 92 29.614 -0.427 3.428 1.00 43.31 C ATOM 1370 CG GLU A 92 30.726 -1.315 2.894 1.00 22.11 C ATOM 1371 CD GLU A 92 30.687 -1.456 1.386 1.00 21.31 C ATOM 1372 OE1 GLU A 92 30.599 -0.421 0.694 1.00 61.05 O ATOM 1373 OE2 GLU A 92 30.743 -2.605 0.896 1.00 32.20 O1- ATOM 0 H GLU A 92 28.701 -3.009 2.889 1.00 73.32 H new ATOM 0 HA GLU A 92 27.507 -0.479 3.848 1.00 2.25 H new ATOM 0 HB2 GLU A 92 29.683 0.552 2.954 1.00 43.31 H new ATOM 0 HB3 GLU A 92 29.764 -0.275 4.497 1.00 43.31 H new ATOM 0 HG2 GLU A 92 31.690 -0.902 3.192 1.00 22.11 H new ATOM 0 HG3 GLU A 92 30.648 -2.302 3.349 1.00 22.11 H new ATOM 1380 N VAL A 93 27.378 0.462 1.446 1.00 70.21 N ATOM 1381 CA VAL A 93 26.949 0.813 0.097 1.00 61.32 C ATOM 1382 C VAL A 93 27.746 1.995 -0.443 1.00 43.24 C ATOM 1383 O VAL A 93 27.588 3.126 0.015 1.00 3.54 O ATOM 1384 CB VAL A 93 25.449 1.158 0.059 1.00 40.32 C ATOM 1385 CG1 VAL A 93 25.031 1.571 -1.345 1.00 24.13 C ATOM 1386 CG2 VAL A 93 24.618 -0.019 0.546 1.00 41.15 C ATOM 0 H VAL A 93 27.331 1.229 2.117 1.00 70.21 H new ATOM 0 HA VAL A 93 27.130 -0.059 -0.531 1.00 61.32 H new ATOM 0 HB VAL A 93 25.271 2.000 0.728 1.00 40.32 H new ATOM 0 HG11 VAL A 93 23.968 1.811 -1.352 1.00 24.13 H new ATOM 0 HG12 VAL A 93 25.603 2.447 -1.652 1.00 24.13 H new ATOM 0 HG13 VAL A 93 25.223 0.751 -2.038 1.00 24.13 H new ATOM 0 HG21 VAL A 93 23.561 0.243 0.512 1.00 41.15 H new ATOM 0 HG22 VAL A 93 24.798 -0.882 -0.095 1.00 41.15 H new ATOM 0 HG23 VAL A 93 24.899 -0.263 1.571 1.00 41.15 H new ATOM 1396 N VAL A 94 28.603 1.725 -1.423 1.00 55.22 N ATOM 1397 CA VAL A 94 29.425 2.766 -2.028 1.00 54.44 C ATOM 1398 C VAL A 94 29.319 2.735 -3.549 1.00 72.33 C ATOM 1399 O VAL A 94 29.834 1.826 -4.199 1.00 31.22 O ATOM 1400 CB VAL A 94 30.904 2.620 -1.625 1.00 12.35 C ATOM 1401 CG1 VAL A 94 31.746 3.706 -2.278 1.00 44.32 C ATOM 1402 CG2 VAL A 94 31.049 2.660 -0.111 1.00 32.44 C ATOM 0 H VAL A 94 28.746 0.794 -1.815 1.00 55.22 H new ATOM 0 HA VAL A 94 29.049 3.720 -1.659 1.00 54.44 H new ATOM 0 HB VAL A 94 31.265 1.654 -1.977 1.00 12.35 H new ATOM 0 HG11 VAL A 94 32.788 3.586 -1.981 1.00 44.32 H new ATOM 0 HG12 VAL A 94 31.666 3.626 -3.362 1.00 44.32 H new ATOM 0 HG13 VAL A 94 31.388 4.685 -1.959 1.00 44.32 H new ATOM 0 HG21 VAL A 94 32.100 2.555 0.157 1.00 32.44 H new ATOM 0 HG22 VAL A 94 30.671 3.611 0.266 1.00 32.44 H new ATOM 0 HG23 VAL A 94 30.479 1.843 0.331 1.00 32.44 H new ATOM 1412 N PHE A 95 28.647 3.735 -4.111 1.00 74.21 N ATOM 1413 CA PHE A 95 28.472 3.822 -5.555 1.00 3.42 C ATOM 1414 C PHE A 95 28.625 5.262 -6.035 1.00 14.12 C ATOM 1415 O PHE A 95 28.189 6.202 -5.369 1.00 41.52 O ATOM 1416 CB PHE A 95 27.098 3.282 -5.958 1.00 1.11 C ATOM 1417 CG PHE A 95 26.928 1.814 -5.687 1.00 21.10 C ATOM 1418 CD1 PHE A 95 27.810 0.891 -6.225 1.00 70.40 C ATOM 1419 CD2 PHE A 95 25.887 1.359 -4.894 1.00 44.02 C ATOM 1420 CE1 PHE A 95 27.655 -0.460 -5.979 1.00 25.12 C ATOM 1421 CE2 PHE A 95 25.728 0.009 -4.643 1.00 24.42 C ATOM 1422 CZ PHE A 95 26.613 -0.901 -5.185 1.00 43.33 C ATOM 0 H PHE A 95 28.215 4.496 -3.587 1.00 74.21 H new ATOM 0 HA PHE A 95 29.245 3.215 -6.026 1.00 3.42 H new ATOM 0 HB2 PHE A 95 26.327 3.834 -5.420 1.00 1.11 H new ATOM 0 HB3 PHE A 95 26.941 3.468 -7.020 1.00 1.11 H new ATOM 0 HD1 PHE A 95 28.628 1.231 -6.843 1.00 70.40 H new ATOM 0 HD2 PHE A 95 25.192 2.067 -4.467 1.00 44.02 H new ATOM 0 HE1 PHE A 95 28.347 -1.170 -6.407 1.00 25.12 H new ATOM 0 HE2 PHE A 95 24.912 -0.333 -4.024 1.00 24.42 H new ATOM 0 HZ PHE A 95 26.492 -1.956 -4.989 1.00 43.33 H new ATOM 1432 N THR A 96 29.251 5.430 -7.197 1.00 44.40 N ATOM 1433 CA THR A 96 29.464 6.754 -7.766 1.00 34.31 C ATOM 1434 C THR A 96 28.492 7.024 -8.910 1.00 25.23 C ATOM 1435 O THR A 96 28.233 6.150 -9.736 1.00 11.30 O ATOM 1436 CB THR A 96 30.906 6.917 -8.285 1.00 71.34 C ATOM 1437 OG1 THR A 96 31.038 8.161 -8.981 1.00 53.43 O ATOM 1438 CG2 THR A 96 31.281 5.770 -9.209 1.00 41.12 C ATOM 0 H THR A 96 29.619 4.664 -7.762 1.00 44.40 H new ATOM 0 HA THR A 96 29.289 7.473 -6.966 1.00 34.31 H new ATOM 0 HB THR A 96 31.581 6.907 -7.429 1.00 71.34 H new ATOM 0 HG1 THR A 96 31.957 8.258 -9.306 1.00 53.43 H new ATOM 0 HG21 THR A 96 32.303 5.907 -9.563 1.00 41.12 H new ATOM 0 HG22 THR A 96 31.208 4.827 -8.667 1.00 41.12 H new ATOM 0 HG23 THR A 96 30.602 5.752 -10.061 1.00 41.12 H new ATOM 1446 N ALA A 97 27.957 8.241 -8.950 1.00 2.00 N ATOM 1447 CA ALA A 97 27.016 8.626 -9.993 1.00 54.14 C ATOM 1448 C ALA A 97 27.746 9.018 -11.274 1.00 75.12 C ATOM 1449 O ALA A 97 28.919 9.383 -11.243 1.00 3.52 O ATOM 1450 CB ALA A 97 26.136 9.771 -9.514 1.00 3.33 C ATOM 0 H ALA A 97 28.160 8.976 -8.272 1.00 2.00 H new ATOM 0 HA ALA A 97 26.385 7.765 -10.214 1.00 54.14 H new ATOM 0 HB1 ALA A 97 25.438 10.048 -10.304 1.00 3.33 H new ATOM 0 HB2 ALA A 97 25.579 9.457 -8.631 1.00 3.33 H new ATOM 0 HB3 ALA A 97 26.760 10.629 -9.264 1.00 3.33 H new ATOM 1456 N ASN A 98 27.042 8.939 -12.399 1.00 61.44 N ATOM 1457 CA ASN A 98 27.624 9.285 -13.690 1.00 5.53 C ATOM 1458 C ASN A 98 28.846 8.419 -13.985 1.00 5.21 C ATOM 1459 O ASN A 98 29.792 8.864 -14.635 1.00 32.32 O ATOM 1460 CB ASN A 98 28.014 10.763 -13.718 1.00 33.23 C ATOM 1461 CG ASN A 98 26.835 11.667 -14.026 1.00 11.24 C ATOM 1462 OD1 ASN A 98 25.761 11.525 -13.441 1.00 54.42 O ATOM 1463 ND2 ASN A 98 27.031 12.601 -14.949 1.00 42.15 N ATOM 0 H ASN A 98 26.068 8.639 -12.442 1.00 61.44 H new ATOM 0 HA ASN A 98 26.875 9.100 -14.460 1.00 5.53 H new ATOM 0 HB2 ASN A 98 28.440 11.042 -12.754 1.00 33.23 H new ATOM 0 HB3 ASN A 98 28.791 10.917 -14.466 1.00 33.23 H new ATOM 0 HD21 ASN A 98 26.274 13.238 -15.199 1.00 42.15 H new ATOM 0 HD22 ASN A 98 27.938 12.682 -15.408 1.00 42.15 H new ATOM 1470 N ASP A 99 28.817 7.182 -13.504 1.00 51.43 N ATOM 1471 CA ASP A 99 29.921 6.252 -13.718 1.00 34.13 C ATOM 1472 C ASP A 99 29.508 5.125 -14.660 1.00 63.24 C ATOM 1473 O ASP A 99 30.043 4.998 -15.761 1.00 54.14 O ATOM 1474 CB ASP A 99 30.391 5.671 -12.383 1.00 61.02 C ATOM 1475 CG ASP A 99 31.487 4.638 -12.556 1.00 31.11 C ATOM 1476 OD1 ASP A 99 32.409 4.879 -13.364 1.00 64.44 O ATOM 1477 OD2 ASP A 99 31.423 3.588 -11.883 1.00 41.04 O1- ATOM 0 H ASP A 99 28.042 6.799 -12.963 1.00 51.43 H new ATOM 0 HA ASP A 99 30.743 6.801 -14.177 1.00 34.13 H new ATOM 0 HB2 ASP A 99 30.753 6.478 -11.746 1.00 61.02 H new ATOM 0 HB3 ASP A 99 29.544 5.216 -11.870 1.00 61.02 H new ATOM 1482 N SER A 100 28.556 4.310 -14.219 1.00 31.43 N ATOM 1483 CA SER A 100 28.075 3.192 -15.021 1.00 54.41 C ATOM 1484 C SER A 100 26.797 2.608 -14.428 1.00 0.22 C ATOM 1485 O SER A 100 26.720 2.339 -13.230 1.00 0.22 O ATOM 1486 CB SER A 100 29.149 2.106 -15.115 1.00 62.41 C ATOM 1487 OG SER A 100 28.611 0.900 -15.629 1.00 71.24 O ATOM 0 H SER A 100 28.102 4.403 -13.310 1.00 31.43 H new ATOM 0 HA SER A 100 27.854 3.563 -16.022 1.00 54.41 H new ATOM 0 HB2 SER A 100 29.961 2.448 -15.756 1.00 62.41 H new ATOM 0 HB3 SER A 100 29.576 1.926 -14.128 1.00 62.41 H new ATOM 0 HG SER A 100 29.317 0.223 -15.681 1.00 71.24 H new ATOM 1493 N GLY A 101 25.792 2.415 -15.277 1.00 34.22 N ATOM 1494 CA GLY A 101 24.529 1.865 -14.820 1.00 51.22 C ATOM 1495 C GLY A 101 23.617 2.921 -14.227 1.00 34.21 C ATOM 1496 O GLY A 101 23.948 4.106 -14.187 1.00 62.14 O ATOM 0 H GLY A 101 25.830 2.630 -16.273 1.00 34.22 H new ATOM 0 HA2 GLY A 101 24.024 1.381 -15.656 1.00 51.22 H new ATOM 0 HA3 GLY A 101 24.721 1.094 -14.073 1.00 51.22 H new ATOM 1500 N PRO A 102 22.439 2.492 -13.753 1.00 21.34 N ATOM 1501 CA PRO A 102 21.452 3.394 -13.151 1.00 0.44 C ATOM 1502 C PRO A 102 21.908 3.934 -11.801 1.00 41.02 C ATOM 1503 O PRO A 102 23.053 3.735 -11.397 1.00 2.14 O ATOM 1504 CB PRO A 102 20.216 2.505 -12.981 1.00 64.03 C ATOM 1505 CG PRO A 102 20.756 1.119 -12.892 1.00 43.03 C ATOM 1506 CD PRO A 102 21.978 1.093 -13.768 1.00 62.14 C ATOM 0 HA PRO A 102 21.278 4.277 -13.766 1.00 0.44 H new ATOM 0 HB2 PRO A 102 19.658 2.771 -12.083 1.00 64.03 H new ATOM 0 HB3 PRO A 102 19.533 2.611 -13.824 1.00 64.03 H new ATOM 0 HG2 PRO A 102 21.008 0.864 -11.863 1.00 43.03 H new ATOM 0 HG3 PRO A 102 20.019 0.391 -13.229 1.00 43.03 H new ATOM 0 HD2 PRO A 102 22.738 0.416 -13.378 1.00 62.14 H new ATOM 0 HD3 PRO A 102 21.741 0.759 -14.778 1.00 62.14 H new ATOM 1514 N ARG A 103 21.005 4.619 -11.107 1.00 23.34 N ATOM 1515 CA ARG A 103 21.317 5.189 -9.801 1.00 62.04 C ATOM 1516 C ARG A 103 20.358 4.664 -8.736 1.00 14.33 C ATOM 1517 O ARG A 103 19.249 4.228 -9.045 1.00 52.44 O ATOM 1518 CB ARG A 103 21.246 6.717 -9.858 1.00 30.24 C ATOM 1519 CG ARG A 103 21.943 7.313 -11.070 1.00 22.53 C ATOM 1520 CD ARG A 103 22.521 8.686 -10.760 1.00 52.13 C ATOM 1521 NE ARG A 103 22.134 9.680 -11.758 1.00 1.11 N ATOM 1522 CZ ARG A 103 20.900 10.156 -11.881 1.00 54.03 C ATOM 1523 NH1 ARG A 103 19.939 9.732 -11.073 1.00 3.14 N1+ ATOM 1524 NH2 ARG A 103 20.627 11.059 -12.814 1.00 64.44 N ATOM 0 H ARG A 103 20.052 4.793 -11.427 1.00 23.34 H new ATOM 0 HA ARG A 103 22.330 4.889 -9.533 1.00 62.04 H new ATOM 0 HB2 ARG A 103 20.200 7.024 -9.863 1.00 30.24 H new ATOM 0 HB3 ARG A 103 21.694 7.127 -8.953 1.00 30.24 H new ATOM 0 HG2 ARG A 103 22.741 6.646 -11.397 1.00 22.53 H new ATOM 0 HG3 ARG A 103 21.236 7.392 -11.896 1.00 22.53 H new ATOM 0 HD2 ARG A 103 22.181 9.009 -9.776 1.00 52.13 H new ATOM 0 HD3 ARG A 103 23.608 8.620 -10.716 1.00 52.13 H new ATOM 0 HE ARG A 103 22.851 10.028 -12.395 1.00 1.11 H new ATOM 0 HH11 ARG A 103 20.146 9.038 -10.354 1.00 3.14 H new ATOM 0 HH12 ARG A 103 18.992 10.099 -11.170 1.00 3.14 H new ATOM 0 HH21 ARG A 103 21.365 11.388 -13.437 1.00 64.44 H new ATOM 0 HH22 ARG A 103 19.679 11.424 -12.908 1.00 64.44 H new ATOM 1538 N ARG A 104 20.793 4.709 -7.482 1.00 24.02 N ATOM 1539 CA ARG A 104 19.975 4.237 -6.372 1.00 24.20 C ATOM 1540 C ARG A 104 19.693 5.367 -5.385 1.00 1.51 C ATOM 1541 O ARG A 104 20.307 6.432 -5.453 1.00 72.24 O ATOM 1542 CB ARG A 104 20.672 3.080 -5.652 1.00 25.22 C ATOM 1543 CG ARG A 104 20.628 1.770 -6.423 1.00 31.23 C ATOM 1544 CD ARG A 104 20.996 0.591 -5.537 1.00 34.05 C ATOM 1545 NE ARG A 104 19.955 0.296 -4.557 1.00 31.23 N ATOM 1546 CZ ARG A 104 18.789 -0.262 -4.868 1.00 4.22 C ATOM 1547 NH1 ARG A 104 18.520 -0.585 -6.126 1.00 33.51 N1+ ATOM 1548 NH2 ARG A 104 17.892 -0.500 -3.920 1.00 33.42 N ATOM 0 H ARG A 104 21.708 5.068 -7.209 1.00 24.02 H new ATOM 0 HA ARG A 104 19.026 3.886 -6.777 1.00 24.20 H new ATOM 0 HB2 ARG A 104 21.712 3.350 -5.470 1.00 25.22 H new ATOM 0 HB3 ARG A 104 20.205 2.935 -4.678 1.00 25.22 H new ATOM 0 HG2 ARG A 104 19.629 1.621 -6.833 1.00 31.23 H new ATOM 0 HG3 ARG A 104 21.315 1.820 -7.268 1.00 31.23 H new ATOM 0 HD2 ARG A 104 21.169 -0.288 -6.157 1.00 34.05 H new ATOM 0 HD3 ARG A 104 21.931 0.805 -5.019 1.00 34.05 H new ATOM 0 HE ARG A 104 20.132 0.531 -3.580 1.00 31.23 H new ATOM 0 HH11 ARG A 104 19.208 -0.405 -6.857 1.00 33.51 H new ATOM 0 HH12 ARG A 104 17.625 -1.013 -6.362 1.00 33.51 H new ATOM 0 HH21 ARG A 104 18.097 -0.255 -2.951 1.00 33.42 H new ATOM 0 HH22 ARG A 104 16.998 -0.928 -4.160 1.00 33.42 H new ATOM 1562 N TYR A 105 18.762 5.126 -4.468 1.00 3.31 N ATOM 1563 CA TYR A 105 18.397 6.123 -3.470 1.00 51.11 C ATOM 1564 C TYR A 105 18.355 5.507 -2.074 1.00 4.42 C ATOM 1565 O TYR A 105 18.839 6.096 -1.107 1.00 2.22 O ATOM 1566 CB TYR A 105 17.039 6.740 -3.808 1.00 3.13 C ATOM 1567 CG TYR A 105 15.988 5.722 -4.185 1.00 74.50 C ATOM 1568 CD1 TYR A 105 15.867 5.268 -5.492 1.00 22.34 C ATOM 1569 CD2 TYR A 105 15.114 5.212 -3.232 1.00 12.00 C ATOM 1570 CE1 TYR A 105 14.908 4.337 -5.841 1.00 51.10 C ATOM 1571 CE2 TYR A 105 14.152 4.280 -3.570 1.00 50.15 C ATOM 1572 CZ TYR A 105 14.053 3.846 -4.876 1.00 33.34 C ATOM 1573 OH TYR A 105 13.096 2.918 -5.219 1.00 22.10 O ATOM 0 H TYR A 105 18.247 4.249 -4.396 1.00 3.31 H new ATOM 0 HA TYR A 105 19.157 6.905 -3.480 1.00 51.11 H new ATOM 0 HB2 TYR A 105 16.686 7.313 -2.951 1.00 3.13 H new ATOM 0 HB3 TYR A 105 17.164 7.443 -4.632 1.00 3.13 H new ATOM 0 HD1 TYR A 105 16.535 5.650 -6.250 1.00 22.34 H new ATOM 0 HD2 TYR A 105 15.188 5.550 -2.209 1.00 12.00 H new ATOM 0 HE1 TYR A 105 14.828 3.996 -6.863 1.00 51.10 H new ATOM 0 HE2 TYR A 105 13.482 3.893 -2.817 1.00 50.15 H new ATOM 0 HH TYR A 105 12.577 2.674 -4.424 1.00 22.10 H new ATOM 1583 N THR A 106 17.772 4.316 -1.978 1.00 40.24 N ATOM 1584 CA THR A 106 17.665 3.619 -0.703 1.00 32.41 C ATOM 1585 C THR A 106 18.847 2.682 -0.487 1.00 71.02 C ATOM 1586 O THR A 106 19.230 1.934 -1.387 1.00 75.23 O ATOM 1587 CB THR A 106 16.358 2.807 -0.615 1.00 75.32 C ATOM 1588 OG1 THR A 106 15.230 3.679 -0.743 1.00 50.12 O ATOM 1589 CG2 THR A 106 16.276 2.055 0.706 1.00 12.31 C ATOM 0 H THR A 106 17.367 3.814 -2.768 1.00 40.24 H new ATOM 0 HA THR A 106 17.664 4.382 0.075 1.00 32.41 H new ATOM 0 HB THR A 106 16.351 2.082 -1.429 1.00 75.32 H new ATOM 0 HG1 THR A 106 14.990 3.767 -1.689 1.00 50.12 H new ATOM 0 HG21 THR A 106 15.345 1.489 0.745 1.00 12.31 H new ATOM 0 HG22 THR A 106 17.120 1.371 0.788 1.00 12.31 H new ATOM 0 HG23 THR A 106 16.304 2.766 1.532 1.00 12.31 H new ATOM 1597 N ILE A 107 19.422 2.727 0.710 1.00 54.05 N ATOM 1598 CA ILE A 107 20.561 1.880 1.043 1.00 74.20 C ATOM 1599 C ILE A 107 20.101 0.520 1.556 1.00 63.32 C ATOM 1600 O ILE A 107 19.584 0.406 2.667 1.00 31.52 O ATOM 1601 CB ILE A 107 21.461 2.539 2.103 1.00 44.44 C ATOM 1602 CG1 ILE A 107 22.057 3.840 1.561 1.00 42.14 C ATOM 1603 CG2 ILE A 107 22.565 1.583 2.529 1.00 44.24 C ATOM 1604 CD1 ILE A 107 21.140 5.034 1.714 1.00 32.11 C ATOM 0 H ILE A 107 19.118 3.341 1.466 1.00 54.05 H new ATOM 0 HA ILE A 107 21.134 1.745 0.126 1.00 74.20 H new ATOM 0 HB ILE A 107 20.854 2.775 2.977 1.00 44.44 H new ATOM 0 HG12 ILE A 107 22.995 4.044 2.078 1.00 42.14 H new ATOM 0 HG13 ILE A 107 22.296 3.709 0.506 1.00 42.14 H new ATOM 0 HG21 ILE A 107 23.193 2.064 3.279 1.00 44.24 H new ATOM 0 HG22 ILE A 107 22.122 0.681 2.951 1.00 44.24 H new ATOM 0 HG23 ILE A 107 23.172 1.319 1.663 1.00 44.24 H new ATOM 0 HD11 ILE A 107 21.627 5.921 1.309 1.00 32.11 H new ATOM 0 HD12 ILE A 107 20.211 4.851 1.174 1.00 32.11 H new ATOM 0 HD13 ILE A 107 20.920 5.191 2.770 1.00 32.11 H new ATOM 1616 N ALA A 108 20.297 -0.511 0.740 1.00 21.23 N ATOM 1617 CA ALA A 108 19.907 -1.865 1.113 1.00 2.35 C ATOM 1618 C ALA A 108 21.060 -2.605 1.784 1.00 63.45 C ATOM 1619 O ALA A 108 22.062 -2.922 1.144 1.00 51.45 O ATOM 1620 CB ALA A 108 19.427 -2.633 -0.110 1.00 32.14 C ATOM 0 H ALA A 108 20.723 -0.434 -0.183 1.00 21.23 H new ATOM 0 HA ALA A 108 19.089 -1.795 1.829 1.00 2.35 H new ATOM 0 HB1 ALA A 108 19.139 -3.642 0.184 1.00 32.14 H new ATOM 0 HB2 ALA A 108 18.568 -2.123 -0.546 1.00 32.14 H new ATOM 0 HB3 ALA A 108 20.230 -2.684 -0.846 1.00 32.14 H new ATOM 1626 N ALA A 109 20.912 -2.874 3.077 1.00 63.22 N ATOM 1627 CA ALA A 109 21.941 -3.575 3.833 1.00 54.44 C ATOM 1628 C ALA A 109 21.369 -4.810 4.523 1.00 42.04 C ATOM 1629 O ALA A 109 20.465 -4.706 5.352 1.00 35.23 O ATOM 1630 CB ALA A 109 22.573 -2.643 4.855 1.00 2.42 C ATOM 0 H ALA A 109 20.089 -2.617 3.622 1.00 63.22 H new ATOM 0 HA ALA A 109 22.710 -3.904 3.134 1.00 54.44 H new ATOM 0 HB1 ALA A 109 23.340 -3.181 5.412 1.00 2.42 H new ATOM 0 HB2 ALA A 109 23.025 -1.794 4.342 1.00 2.42 H new ATOM 0 HB3 ALA A 109 21.808 -2.286 5.544 1.00 2.42 H new ATOM 1636 N MET A 110 21.902 -5.977 4.176 1.00 0.21 N ATOM 1637 CA MET A 110 21.444 -7.231 4.764 1.00 34.20 C ATOM 1638 C MET A 110 22.506 -7.817 5.689 1.00 44.24 C ATOM 1639 O MET A 110 23.657 -8.001 5.291 1.00 31.10 O ATOM 1640 CB MET A 110 21.096 -8.237 3.664 1.00 34.11 C ATOM 1641 CG MET A 110 19.792 -7.927 2.948 1.00 44.03 C ATOM 1642 SD MET A 110 19.179 -9.324 1.986 1.00 11.42 S ATOM 1643 CE MET A 110 18.210 -10.185 3.221 1.00 12.22 C ATOM 0 H MET A 110 22.651 -6.081 3.491 1.00 0.21 H new ATOM 0 HA MET A 110 20.550 -7.023 5.352 1.00 34.20 H new ATOM 0 HB2 MET A 110 21.905 -8.259 2.934 1.00 34.11 H new ATOM 0 HB3 MET A 110 21.033 -9.234 4.101 1.00 34.11 H new ATOM 0 HG2 MET A 110 19.039 -7.637 3.681 1.00 44.03 H new ATOM 0 HG3 MET A 110 19.939 -7.072 2.288 1.00 44.03 H new ATOM 0 HE1 MET A 110 18.474 -11.242 3.219 1.00 12.22 H new ATOM 0 HE2 MET A 110 18.415 -9.762 4.204 1.00 12.22 H new ATOM 0 HE3 MET A 110 17.150 -10.076 2.993 1.00 12.22 H new ATOM 1653 N LEU A 111 22.111 -8.108 6.924 1.00 51.13 N ATOM 1654 CA LEU A 111 23.030 -8.673 7.906 1.00 21.14 C ATOM 1655 C LEU A 111 23.140 -10.186 7.740 1.00 54.03 C ATOM 1656 O LEU A 111 22.768 -10.946 8.634 1.00 63.05 O ATOM 1657 CB LEU A 111 22.562 -8.337 9.324 1.00 12.44 C ATOM 1658 CG LEU A 111 22.437 -6.849 9.653 1.00 10.52 C ATOM 1659 CD1 LEU A 111 23.625 -6.078 9.098 1.00 71.33 C ATOM 1660 CD2 LEU A 111 21.132 -6.289 9.106 1.00 62.42 C ATOM 0 H LEU A 111 21.162 -7.962 7.269 1.00 51.13 H new ATOM 0 HA LEU A 111 24.014 -8.235 7.741 1.00 21.14 H new ATOM 0 HB2 LEU A 111 21.592 -8.808 9.486 1.00 12.44 H new ATOM 0 HB3 LEU A 111 23.258 -8.788 10.031 1.00 12.44 H new ATOM 0 HG LEU A 111 22.431 -6.736 10.737 1.00 10.52 H new ATOM 0 HD11 LEU A 111 23.519 -5.021 9.342 1.00 71.33 H new ATOM 0 HD12 LEU A 111 24.545 -6.461 9.539 1.00 71.33 H new ATOM 0 HD13 LEU A 111 23.663 -6.199 8.015 1.00 71.33 H new ATOM 0 HD21 LEU A 111 21.060 -5.229 9.350 1.00 62.42 H new ATOM 0 HD22 LEU A 111 21.107 -6.415 8.024 1.00 62.42 H new ATOM 0 HD23 LEU A 111 20.292 -6.821 9.552 1.00 62.42 H new ATOM 1672 N SER A 112 23.657 -10.614 6.593 1.00 54.12 N ATOM 1673 CA SER A 112 23.816 -12.036 6.310 1.00 12.24 C ATOM 1674 C SER A 112 24.583 -12.731 7.430 1.00 22.43 C ATOM 1675 O SER A 112 25.291 -12.100 8.216 1.00 1.40 O ATOM 1676 CB SER A 112 24.543 -12.234 4.978 1.00 43.45 C ATOM 1677 OG SER A 112 24.721 -10.999 4.306 1.00 13.22 O ATOM 0 H SER A 112 23.973 -9.997 5.845 1.00 54.12 H new ATOM 0 HA SER A 112 22.823 -12.481 6.244 1.00 12.24 H new ATOM 0 HB2 SER A 112 25.513 -12.698 5.155 1.00 43.45 H new ATOM 0 HB3 SER A 112 23.973 -12.916 4.347 1.00 43.45 H new ATOM 0 HG SER A 112 25.189 -11.152 3.459 1.00 13.22 H new ATOM 1683 N PRO A 113 24.442 -14.062 7.506 1.00 22.02 N ATOM 1684 CA PRO A 113 25.114 -14.873 8.526 1.00 43.14 C ATOM 1685 C PRO A 113 26.621 -14.948 8.306 1.00 2.12 C ATOM 1686 O PRO A 113 27.174 -14.224 7.477 1.00 12.34 O ATOM 1687 CB PRO A 113 24.479 -16.255 8.353 1.00 50.43 C ATOM 1688 CG PRO A 113 24.019 -16.288 6.938 1.00 10.11 C ATOM 1689 CD PRO A 113 23.615 -14.879 6.602 1.00 23.20 C ATOM 0 HA PRO A 113 24.993 -14.455 9.525 1.00 43.14 H new ATOM 0 HB2 PRO A 113 25.199 -17.049 8.554 1.00 50.43 H new ATOM 0 HB3 PRO A 113 23.647 -16.397 9.043 1.00 50.43 H new ATOM 0 HG2 PRO A 113 24.814 -16.634 6.277 1.00 10.11 H new ATOM 0 HG3 PRO A 113 23.181 -16.974 6.816 1.00 10.11 H new ATOM 0 HD2 PRO A 113 23.811 -14.644 5.556 1.00 23.20 H new ATOM 0 HD3 PRO A 113 22.551 -14.715 6.772 1.00 23.20 H new ATOM 1697 N TYR A 114 27.280 -15.827 9.052 1.00 23.50 N ATOM 1698 CA TYR A 114 28.724 -15.995 8.939 1.00 1.14 C ATOM 1699 C TYR A 114 29.084 -16.806 7.698 1.00 43.00 C ATOM 1700 O TYR A 114 29.651 -17.894 7.797 1.00 5.21 O ATOM 1701 CB TYR A 114 29.277 -16.682 10.190 1.00 52.22 C ATOM 1702 CG TYR A 114 30.717 -16.328 10.487 1.00 0.42 C ATOM 1703 CD1 TYR A 114 31.039 -15.167 11.180 1.00 43.22 C ATOM 1704 CD2 TYR A 114 31.756 -17.155 10.076 1.00 13.42 C ATOM 1705 CE1 TYR A 114 32.353 -14.840 11.453 1.00 31.41 C ATOM 1706 CE2 TYR A 114 33.072 -16.837 10.347 1.00 52.31 C ATOM 1707 CZ TYR A 114 33.366 -15.678 11.035 1.00 63.53 C ATOM 1708 OH TYR A 114 34.676 -15.357 11.307 1.00 74.32 O ATOM 0 H TYR A 114 26.837 -16.434 9.742 1.00 23.50 H new ATOM 0 HA TYR A 114 29.173 -15.006 8.846 1.00 1.14 H new ATOM 0 HB2 TYR A 114 28.660 -16.410 11.047 1.00 52.22 H new ATOM 0 HB3 TYR A 114 29.195 -17.762 10.068 1.00 52.22 H new ATOM 0 HD1 TYR A 114 30.249 -14.509 11.511 1.00 43.22 H new ATOM 0 HD2 TYR A 114 31.530 -18.062 9.535 1.00 13.42 H new ATOM 0 HE1 TYR A 114 32.586 -13.933 11.991 1.00 31.41 H new ATOM 0 HE2 TYR A 114 33.867 -17.492 10.022 1.00 52.31 H new ATOM 0 HH TYR A 114 35.265 -16.052 10.945 1.00 74.32 H new ATOM 1718 N SER A 115 28.749 -16.268 6.530 1.00 75.00 N ATOM 1719 CA SER A 115 29.033 -16.942 5.269 1.00 11.22 C ATOM 1720 C SER A 115 30.241 -16.316 4.579 1.00 71.44 C ATOM 1721 O SER A 115 30.105 -15.636 3.561 1.00 23.43 O ATOM 1722 CB SER A 115 27.814 -16.878 4.346 1.00 64.23 C ATOM 1723 OG SER A 115 27.489 -15.537 4.022 1.00 63.14 O ATOM 0 H SER A 115 28.281 -15.367 6.431 1.00 75.00 H new ATOM 0 HA SER A 115 29.261 -17.986 5.486 1.00 11.22 H new ATOM 0 HB2 SER A 115 28.016 -17.437 3.433 1.00 64.23 H new ATOM 0 HB3 SER A 115 26.962 -17.355 4.830 1.00 64.23 H new ATOM 0 HG SER A 115 28.298 -15.064 3.737 1.00 63.14 H new ATOM 1729 N TYR A 116 31.422 -16.550 5.140 1.00 41.15 N ATOM 1730 CA TYR A 116 32.655 -16.008 4.580 1.00 60.33 C ATOM 1731 C TYR A 116 33.832 -16.938 4.852 1.00 73.11 C ATOM 1732 O TYR A 116 34.322 -17.027 5.978 1.00 43.34 O ATOM 1733 CB TYR A 116 32.939 -14.623 5.166 1.00 52.20 C ATOM 1734 CG TYR A 116 32.334 -13.492 4.367 1.00 62.23 C ATOM 1735 CD1 TYR A 116 31.035 -13.063 4.607 1.00 50.21 C ATOM 1736 CD2 TYR A 116 33.062 -12.851 3.372 1.00 64.02 C ATOM 1737 CE1 TYR A 116 30.477 -12.030 3.879 1.00 70.32 C ATOM 1738 CE2 TYR A 116 32.513 -11.816 2.640 1.00 12.14 C ATOM 1739 CZ TYR A 116 31.220 -11.410 2.897 1.00 0.53 C ATOM 1740 OH TYR A 116 30.669 -10.380 2.169 1.00 30.40 O ATOM 0 H TYR A 116 31.552 -17.111 5.982 1.00 41.15 H new ATOM 0 HA TYR A 116 32.527 -15.921 3.501 1.00 60.33 H new ATOM 0 HB2 TYR A 116 32.554 -14.583 6.185 1.00 52.20 H new ATOM 0 HB3 TYR A 116 34.018 -14.478 5.227 1.00 52.20 H new ATOM 0 HD1 TYR A 116 30.451 -13.546 5.376 1.00 50.21 H new ATOM 0 HD2 TYR A 116 34.074 -13.167 3.167 1.00 64.02 H new ATOM 0 HE1 TYR A 116 29.465 -11.710 4.078 1.00 70.32 H new ATOM 0 HE2 TYR A 116 33.093 -11.328 1.871 1.00 12.14 H new ATOM 0 HH TYR A 116 30.347 -9.684 2.779 1.00 30.40 H new ATOM 1750 N SER A 117 34.281 -17.632 3.811 1.00 25.22 N ATOM 1751 CA SER A 117 35.399 -18.560 3.937 1.00 25.44 C ATOM 1752 C SER A 117 36.638 -17.850 4.474 1.00 44.43 C ATOM 1753 O SER A 117 37.419 -18.426 5.232 1.00 74.44 O ATOM 1754 CB SER A 117 35.712 -19.200 2.583 1.00 52.34 C ATOM 1755 OG SER A 117 35.581 -18.260 1.531 1.00 35.54 O ATOM 0 H SER A 117 33.888 -17.569 2.872 1.00 25.22 H new ATOM 0 HA SER A 117 35.114 -19.339 4.643 1.00 25.44 H new ATOM 0 HB2 SER A 117 36.726 -19.601 2.592 1.00 52.34 H new ATOM 0 HB3 SER A 117 35.039 -20.040 2.410 1.00 52.34 H new ATOM 0 HG SER A 117 35.788 -18.694 0.677 1.00 35.54 H new ATOM 1761 N THR A 118 36.811 -16.593 4.076 1.00 33.43 N ATOM 1762 CA THR A 118 37.954 -15.803 4.515 1.00 53.23 C ATOM 1763 C THR A 118 37.916 -15.572 6.022 1.00 74.11 C ATOM 1764 O THR A 118 36.846 -15.548 6.631 1.00 53.14 O ATOM 1765 CB THR A 118 38.002 -14.440 3.800 1.00 13.15 C ATOM 1766 OG1 THR A 118 37.571 -14.583 2.442 1.00 55.10 O ATOM 1767 CG2 THR A 118 39.409 -13.862 3.832 1.00 63.23 C ATOM 0 H THR A 118 36.174 -16.101 3.450 1.00 33.43 H new ATOM 0 HA THR A 118 38.848 -16.371 4.259 1.00 53.23 H new ATOM 0 HB THR A 118 37.333 -13.757 4.323 1.00 13.15 H new ATOM 0 HG1 THR A 118 37.603 -13.711 1.995 1.00 55.10 H new ATOM 0 HG21 THR A 118 39.419 -12.899 3.321 1.00 63.23 H new ATOM 0 HG22 THR A 118 39.723 -13.727 4.867 1.00 63.23 H new ATOM 0 HG23 THR A 118 40.095 -14.545 3.331 1.00 63.23 H new ATOM 1775 N THR A 119 39.092 -15.402 6.619 1.00 11.45 N ATOM 1776 CA THR A 119 39.193 -15.173 8.055 1.00 25.02 C ATOM 1777 C THR A 119 38.469 -13.895 8.461 1.00 41.31 C ATOM 1778 O THR A 119 37.938 -13.795 9.567 1.00 44.13 O ATOM 1779 CB THR A 119 40.663 -15.084 8.508 1.00 11.34 C ATOM 1780 OG1 THR A 119 41.402 -14.249 7.610 1.00 72.04 O ATOM 1781 CG2 THR A 119 41.297 -16.466 8.561 1.00 25.02 C ATOM 0 H THR A 119 39.987 -15.419 6.130 1.00 11.45 H new ATOM 0 HA THR A 119 38.721 -16.025 8.544 1.00 25.02 H new ATOM 0 HB THR A 119 40.687 -14.652 9.508 1.00 11.34 H new ATOM 0 HG1 THR A 119 42.335 -14.196 7.905 1.00 72.04 H new ATOM 0 HG21 THR A 119 42.335 -16.378 8.883 1.00 25.02 H new ATOM 0 HG22 THR A 119 40.749 -17.091 9.267 1.00 25.02 H new ATOM 0 HG23 THR A 119 41.262 -16.921 7.571 1.00 25.02 H new ATOM 1789 N ALA A 120 38.453 -12.918 7.559 1.00 13.22 N ATOM 1790 CA ALA A 120 37.792 -11.646 7.823 1.00 52.22 C ATOM 1791 C ALA A 120 38.365 -10.977 9.068 1.00 55.15 C ATOM 1792 O ALA A 120 37.639 -10.349 9.838 1.00 65.21 O ATOM 1793 CB ALA A 120 36.292 -11.853 7.976 1.00 42.50 C ATOM 0 H ALA A 120 38.890 -12.984 6.640 1.00 13.22 H new ATOM 0 HA ALA A 120 37.973 -10.988 6.973 1.00 52.22 H new ATOM 0 HB1 ALA A 120 35.811 -10.895 8.173 1.00 42.50 H new ATOM 0 HB2 ALA A 120 35.888 -12.280 7.058 1.00 42.50 H new ATOM 0 HB3 ALA A 120 36.101 -12.532 8.807 1.00 42.50 H new ATOM 1799 N VAL A 121 39.673 -11.117 9.259 1.00 4.12 N ATOM 1800 CA VAL A 121 40.344 -10.525 10.412 1.00 43.11 C ATOM 1801 C VAL A 121 40.301 -9.003 10.350 1.00 30.44 C ATOM 1802 O VAL A 121 40.692 -8.400 9.351 1.00 24.04 O ATOM 1803 CB VAL A 121 41.812 -10.983 10.501 1.00 72.25 C ATOM 1804 CG1 VAL A 121 42.475 -10.409 11.744 1.00 1.23 C ATOM 1805 CG2 VAL A 121 41.897 -12.502 10.497 1.00 33.31 C ATOM 0 H VAL A 121 40.289 -11.634 8.632 1.00 4.12 H new ATOM 0 HA VAL A 121 39.810 -10.865 11.299 1.00 43.11 H new ATOM 0 HB VAL A 121 42.345 -10.609 9.627 1.00 72.25 H new ATOM 0 HG11 VAL A 121 43.512 -10.743 11.791 1.00 1.23 H new ATOM 0 HG12 VAL A 121 42.446 -9.320 11.702 1.00 1.23 H new ATOM 0 HG13 VAL A 121 41.943 -10.752 12.631 1.00 1.23 H new ATOM 0 HG21 VAL A 121 42.941 -12.808 10.560 1.00 33.31 H new ATOM 0 HG22 VAL A 121 41.350 -12.899 11.352 1.00 33.31 H new ATOM 0 HG23 VAL A 121 41.461 -12.888 9.576 1.00 33.31 H new ATOM 1815 N VAL A 122 39.825 -8.386 11.427 1.00 21.23 N ATOM 1816 CA VAL A 122 39.732 -6.932 11.497 1.00 51.40 C ATOM 1817 C VAL A 122 40.559 -6.385 12.654 1.00 21.04 C ATOM 1818 O VAL A 122 40.535 -6.924 13.761 1.00 52.34 O ATOM 1819 CB VAL A 122 38.272 -6.470 11.660 1.00 74.35 C ATOM 1820 CG1 VAL A 122 38.195 -4.952 11.716 1.00 52.43 C ATOM 1821 CG2 VAL A 122 37.412 -7.015 10.529 1.00 10.13 C ATOM 0 H VAL A 122 39.498 -8.870 12.263 1.00 21.23 H new ATOM 0 HA VAL A 122 40.125 -6.544 10.557 1.00 51.40 H new ATOM 0 HB VAL A 122 37.887 -6.864 12.601 1.00 74.35 H new ATOM 0 HG11 VAL A 122 37.156 -4.644 11.831 1.00 52.43 H new ATOM 0 HG12 VAL A 122 38.777 -4.589 12.563 1.00 52.43 H new ATOM 0 HG13 VAL A 122 38.597 -4.533 10.794 1.00 52.43 H new ATOM 0 HG21 VAL A 122 36.383 -6.679 10.660 1.00 10.13 H new ATOM 0 HG22 VAL A 122 37.794 -6.652 9.575 1.00 10.13 H new ATOM 0 HG23 VAL A 122 37.442 -8.105 10.542 1.00 10.13 H new ATOM 1831 N THR A 123 41.292 -5.306 12.393 1.00 54.15 N ATOM 1832 CA THR A 123 42.127 -4.684 13.412 1.00 30.41 C ATOM 1833 C THR A 123 41.279 -4.087 14.530 1.00 22.22 C ATOM 1834 O THR A 123 40.474 -3.187 14.297 1.00 52.11 O ATOM 1835 CB THR A 123 43.016 -3.579 12.812 1.00 20.34 C ATOM 1836 OG1 THR A 123 42.212 -2.647 12.080 1.00 33.22 O ATOM 1837 CG2 THR A 123 44.075 -4.174 11.895 1.00 21.05 C ATOM 0 H THR A 123 41.324 -4.845 11.484 1.00 54.15 H new ATOM 0 HA THR A 123 42.762 -5.469 13.822 1.00 30.41 H new ATOM 0 HB THR A 123 43.517 -3.062 13.630 1.00 20.34 H new ATOM 0 HG1 THR A 123 41.379 -2.479 12.568 1.00 33.22 H new ATOM 0 HG21 THR A 123 44.691 -3.374 11.483 1.00 21.05 H new ATOM 0 HG22 THR A 123 44.704 -4.860 12.462 1.00 21.05 H new ATOM 0 HG23 THR A 123 43.590 -4.714 11.082 1.00 21.05 H new ATOM 1845 N ASN A 124 41.466 -4.596 15.743 1.00 75.41 N ATOM 1846 CA ASN A 124 40.717 -4.113 16.898 1.00 53.22 C ATOM 1847 C ASN A 124 40.807 -2.593 17.007 1.00 22.31 C ATOM 1848 O ASN A 124 41.716 -1.960 16.471 1.00 32.20 O ATOM 1849 CB ASN A 124 41.245 -4.759 18.181 1.00 13.12 C ATOM 1850 CG ASN A 124 42.755 -4.896 18.180 1.00 63.22 C ATOM 1851 OD1 ASN A 124 43.479 -3.901 18.177 1.00 54.42 O ATOM 1852 ND2 ASN A 124 43.237 -6.134 18.185 1.00 64.04 N ATOM 0 H ASN A 124 42.129 -5.342 15.952 1.00 75.41 H new ATOM 0 HA ASN A 124 39.671 -4.389 16.763 1.00 53.22 H new ATOM 0 HB2 ASN A 124 40.938 -4.161 19.039 1.00 13.12 H new ATOM 0 HB3 ASN A 124 40.794 -5.744 18.301 1.00 13.12 H new ATOM 0 HD21 ASN A 124 44.245 -6.289 18.187 1.00 64.04 H new ATOM 0 HD22 ASN A 124 42.599 -6.930 18.187 1.00 64.04 H new ATOM 1859 N PRO A 125 39.841 -1.993 17.719 1.00 24.52 N ATOM 1860 CA PRO A 125 39.788 -0.542 17.916 1.00 24.42 C ATOM 1861 C PRO A 125 40.905 -0.040 18.825 1.00 35.53 C ATOM 1862 O PRO A 125 41.763 -0.810 19.256 1.00 10.22 O ATOM 1863 CB PRO A 125 38.424 -0.323 18.574 1.00 72.35 C ATOM 1864 CG PRO A 125 38.115 -1.616 19.247 1.00 62.25 C ATOM 1865 CD PRO A 125 38.726 -2.686 18.385 1.00 3.25 C ATOM 0 HA PRO A 125 39.917 0.002 16.980 1.00 24.42 H new ATOM 0 HB2 PRO A 125 38.457 0.498 19.290 1.00 72.35 H new ATOM 0 HB3 PRO A 125 37.664 -0.070 17.835 1.00 72.35 H new ATOM 0 HG2 PRO A 125 38.531 -1.641 20.254 1.00 62.25 H new ATOM 0 HG3 PRO A 125 37.039 -1.759 19.343 1.00 62.25 H new ATOM 0 HD2 PRO A 125 39.075 -3.530 18.980 1.00 3.25 H new ATOM 0 HD3 PRO A 125 38.009 -3.079 17.664 1.00 3.25 H new ATOM 1873 N LYS A 126 40.889 1.257 19.112 1.00 63.33 N ATOM 1874 CA LYS A 126 41.899 1.864 19.973 1.00 0.11 C ATOM 1875 C LYS A 126 41.698 1.446 21.426 1.00 52.52 C ATOM 1876 O LYS A 126 42.587 1.618 22.259 1.00 75.10 O ATOM 1877 CB LYS A 126 41.847 3.388 19.857 1.00 43.13 C ATOM 1878 CG LYS A 126 40.804 4.031 20.756 1.00 31.53 C ATOM 1879 CD LYS A 126 39.396 3.623 20.356 1.00 32.21 C ATOM 1880 CE LYS A 126 39.053 4.107 18.955 1.00 52.15 C ATOM 1881 NZ LYS A 126 37.649 3.774 18.583 1.00 22.22 N1+ ATOM 0 H LYS A 126 40.188 1.909 18.761 1.00 63.33 H new ATOM 0 HA LYS A 126 42.878 1.514 19.646 1.00 0.11 H new ATOM 0 HB2 LYS A 126 42.827 3.796 20.102 1.00 43.13 H new ATOM 0 HB3 LYS A 126 41.639 3.658 18.822 1.00 43.13 H new ATOM 0 HG2 LYS A 126 40.987 3.743 21.791 1.00 31.53 H new ATOM 0 HG3 LYS A 126 40.898 5.116 20.706 1.00 31.53 H new ATOM 0 HD2 LYS A 126 39.304 2.538 20.400 1.00 32.21 H new ATOM 0 HD3 LYS A 126 38.681 4.033 21.069 1.00 32.21 H new ATOM 0 HE2 LYS A 126 39.198 5.186 18.897 1.00 52.15 H new ATOM 0 HE3 LYS A 126 39.737 3.655 18.237 1.00 52.15 H new ATOM 0 HZ1 LYS A 126 37.453 4.120 17.622 1.00 22.22 H new ATOM 0 HZ2 LYS A 126 37.517 2.743 18.613 1.00 22.22 H new ATOM 0 HZ3 LYS A 126 36.996 4.227 19.254 1.00 22.22 H new ATOM 1895 N GLU A 127 40.525 0.894 21.722 1.00 3.11 N ATOM 1896 CA GLU A 127 40.210 0.451 23.075 1.00 3.11 C ATOM 1897 C GLU A 127 39.589 -0.943 23.061 1.00 14.11 C ATOM 1898 O GLU A 127 39.847 -1.757 23.947 1.00 23.13 O ATOM 1899 CB GLU A 127 39.258 1.439 23.750 1.00 11.02 C ATOM 1900 CG GLU A 127 38.032 1.769 22.915 1.00 14.01 C ATOM 1901 CD GLU A 127 36.750 1.741 23.723 1.00 3.05 C ATOM 1902 OE1 GLU A 127 36.733 2.321 24.828 1.00 15.22 O ATOM 1903 OE2 GLU A 127 35.763 1.138 23.251 1.00 25.34 O1- ATOM 0 H GLU A 127 39.778 0.743 21.044 1.00 3.11 H new ATOM 0 HA GLU A 127 41.140 0.409 23.642 1.00 3.11 H new ATOM 0 HB2 GLU A 127 38.936 1.025 24.706 1.00 11.02 H new ATOM 0 HB3 GLU A 127 39.798 2.360 23.967 1.00 11.02 H new ATOM 0 HG2 GLU A 127 38.155 2.757 22.471 1.00 14.01 H new ATOM 0 HG3 GLU A 127 37.955 1.057 22.093 1.00 14.01 H new TER 1910 GLU A 127