USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 787 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 77 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 35 GLN : amide:sc= -5.75! K(o=-2.8!,f=-0.57) USER MOD Set 2.2: A 50 TYR OH : rot -92:sc= 1.07 USER MOD Set 2.3: A 94 TYR OH : rot -141:sc= 1.89 USER MOD Set 3.1: A 37 TYR OH : rot 82:sc= 0.813 USER MOD Set 3.2: A 47 THR OG1 : rot -27:sc= 1.72! USER MOD Set 4.1: A 28 SER OG : rot 180:sc= -2.02! USER MOD Set 4.2: A 31 SER OG : rot 122:sc= -0.261 USER MOD Set 4.3: A 32 ASN : amide:sc= -12.8! C(o=-15!,f=0.74!) USER MOD Set 5.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 16 LYS NZ :NH3+ 133:sc= -0.441 (180deg=-0.823) USER MOD Set 6.1: A 8 HIS : no HD1:sc= -3.06! C(o=-3!,f=-3.8!) USER MOD Set 6.2: A 9 SER OG : rot -37:sc= 0.0406! USER MOD Set 7.1: A 6 GLN : amide:sc= -6.25! C(o=-6.6!,f=-7.8!) USER MOD Set 7.2: A 106 THR OG1 : rot -70:sc= -0.313 USER MOD Single : A 1 ASN : amide:sc= -2.59 K(o=-2.6,f=-0.19) USER MOD Single : A 1 ASN N :NH3+ 174:sc= -1.19 (180deg=-1.54) USER MOD Single : A 3 MET CE :methyl -155:sc= -0.198 (180deg=-1.06) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0289 USER MOD Single : A 11 SER OG : rot 63:sc= -0.319 USER MOD Single : A 17 THR OG1 : rot 43:sc= 0.377 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 25 SER OG : rot -150:sc= -0.0527 USER MOD Single : A 26 SER OG : rot -150:sc=-0.00677 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -5.63! C(o=-5.6!,f=-11!) USER MOD Single : A 39 GLN : amide:sc= -6.09! C(o=-6.1!,f=-4!) USER MOD Single : A 43 SER OG : rot 180:sc= -0.545 USER MOD Single : A 44 SER OG : rot 180:sc= -1.21 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -1.15 K(o=-1.2,f=-0.12) USER MOD Single : A 54 GLN : amide:sc= -6.31! C(o=-6.3!,f=-3.9!) USER MOD Single : A 57 SER OG : rot 180:sc= 0.00387 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -43:sc= 1.28 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0382 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.564 USER MOD Single : A 72 ASN : amide:sc= -0.547 K(o=-0.55,f=-1.6!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0479) USER MOD Single : A 83 THR OG1 : rot 30:sc= 0.0612 USER MOD Single : A 89 TYR OH : rot 171:sc= -3.17! USER MOD Single : A 90 TYR OH : rot 180:sc= -0.557 USER MOD Single : A 92 GLN : amide:sc= -3.81! K(o=-3.8!,f=-1.9) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -1:sc= 0.731 USER MOD Single : A 98 ASN : amide:sc= -7.02! K(o=-7!,f=-2.4) USER MOD Single : A 99 HIS : no HE2:sc= 0.307 K(o=0.31,f=-1.3) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.445 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 84.132 19.346 9.652 1.00 0.00 N ATOM 2 CA ASN A 1 83.404 18.757 10.811 1.00 0.00 C ATOM 3 C ASN A 1 82.742 17.454 10.376 1.00 0.00 C ATOM 4 O ASN A 1 82.393 16.616 11.207 1.00 0.00 O ATOM 5 CB ASN A 1 82.347 19.751 11.300 1.00 0.00 C ATOM 6 CG ASN A 1 81.752 20.504 10.115 1.00 0.00 C ATOM 7 OD1 ASN A 1 81.790 21.733 10.082 1.00 0.00 O ATOM 8 ND2 ASN A 1 81.234 19.840 9.118 1.00 0.00 N ATOM 0 H1 ASN A 1 84.500 20.283 9.913 1.00 0.00 H new ATOM 0 H2 ASN A 1 84.923 18.725 9.387 1.00 0.00 H new ATOM 0 H3 ASN A 1 83.482 19.442 8.846 1.00 0.00 H new ATOM 0 HA ASN A 1 84.099 18.549 11.624 1.00 0.00 H new ATOM 0 HB2 ASN A 1 81.560 19.222 11.838 1.00 0.00 H new ATOM 0 HB3 ASN A 1 82.795 20.455 12.001 1.00 0.00 H new ATOM 0 HD21 ASN A 1 80.861 20.340 8.311 1.00 0.00 H new ATOM 0 HD22 ASN A 1 81.203 18.821 9.145 1.00 0.00 H new ATOM 17 N PHE A 2 82.668 17.242 9.065 1.00 0.00 N ATOM 18 CA PHE A 2 82.045 16.043 8.512 1.00 0.00 C ATOM 19 C PHE A 2 83.098 15.175 7.832 1.00 0.00 C ATOM 20 O PHE A 2 83.885 15.664 7.022 1.00 0.00 O ATOM 21 CB PHE A 2 80.959 16.439 7.507 1.00 0.00 C ATOM 22 CG PHE A 2 81.583 16.934 6.223 1.00 0.00 C ATOM 23 CD1 PHE A 2 82.086 18.237 6.145 1.00 0.00 C ATOM 24 CD2 PHE A 2 81.743 16.053 5.146 1.00 0.00 C ATOM 25 CE1 PHE A 2 82.683 18.683 4.959 1.00 0.00 C ATOM 26 CE2 PHE A 2 82.343 16.498 3.962 1.00 0.00 C ATOM 27 CZ PHE A 2 82.800 17.817 3.865 1.00 0.00 C ATOM 0 H PHE A 2 83.033 17.887 8.364 1.00 0.00 H new ATOM 0 HA PHE A 2 81.588 15.472 9.321 1.00 0.00 H new ATOM 0 HB2 PHE A 2 80.317 15.583 7.300 1.00 0.00 H new ATOM 0 HB3 PHE A 2 80.326 17.217 7.934 1.00 0.00 H new ATOM 0 HD1 PHE A 2 82.014 18.897 6.997 1.00 0.00 H new ATOM 0 HD2 PHE A 2 81.404 15.031 5.229 1.00 0.00 H new ATOM 0 HE1 PHE A 2 83.053 19.695 4.888 1.00 0.00 H new ATOM 0 HE2 PHE A 2 82.453 15.824 3.125 1.00 0.00 H new ATOM 0 HZ PHE A 2 83.244 18.168 2.945 1.00 0.00 H new ATOM 37 N MET A 3 83.094 13.883 8.147 1.00 0.00 N ATOM 38 CA MET A 3 84.072 12.965 7.573 1.00 0.00 C ATOM 39 C MET A 3 83.494 11.554 7.555 1.00 0.00 C ATOM 40 O MET A 3 82.439 11.308 8.138 1.00 0.00 O ATOM 41 CB MET A 3 85.370 13.003 8.389 1.00 0.00 C ATOM 42 CG MET A 3 86.353 14.024 7.812 1.00 0.00 C ATOM 43 SD MET A 3 87.939 13.882 8.672 1.00 0.00 S ATOM 44 CE MET A 3 87.377 14.428 10.305 1.00 0.00 C ATOM 0 H MET A 3 82.431 13.451 8.791 1.00 0.00 H new ATOM 0 HA MET A 3 84.299 13.268 6.551 1.00 0.00 H new ATOM 0 HB2 MET A 3 85.145 13.256 9.425 1.00 0.00 H new ATOM 0 HB3 MET A 3 85.829 12.014 8.395 1.00 0.00 H new ATOM 0 HG2 MET A 3 86.489 13.852 6.744 1.00 0.00 H new ATOM 0 HG3 MET A 3 85.955 15.032 7.924 1.00 0.00 H new ATOM 0 HE1 MET A 3 88.220 14.837 10.862 1.00 0.00 H new ATOM 0 HE2 MET A 3 86.612 15.196 10.189 1.00 0.00 H new ATOM 0 HE3 MET A 3 86.960 13.580 10.849 1.00 0.00 H new ATOM 54 N LEU A 4 84.181 10.639 6.878 1.00 0.00 N ATOM 55 CA LEU A 4 83.740 9.252 6.796 1.00 0.00 C ATOM 56 C LEU A 4 84.821 8.351 7.382 1.00 0.00 C ATOM 57 O LEU A 4 85.841 8.093 6.742 1.00 0.00 O ATOM 58 CB LEU A 4 83.468 8.893 5.329 1.00 0.00 C ATOM 59 CG LEU A 4 82.004 8.495 5.119 1.00 0.00 C ATOM 60 CD1 LEU A 4 81.682 8.502 3.623 1.00 0.00 C ATOM 61 CD2 LEU A 4 81.776 7.086 5.672 1.00 0.00 C ATOM 0 H LEU A 4 85.048 10.835 6.377 1.00 0.00 H new ATOM 0 HA LEU A 4 82.820 9.113 7.364 1.00 0.00 H new ATOM 0 HB2 LEU A 4 83.711 9.744 4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 4 84.118 8.072 5.026 1.00 0.00 H new ATOM 0 HG LEU A 4 81.359 9.204 5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 4 80.640 8.219 3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 4 81.848 9.501 3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 4 82.329 7.791 3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 4 80.734 6.801 5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 4 82.423 6.381 5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 4 82.008 7.071 6.737 1.00 0.00 H new ATOM 73 N THR A 5 84.591 7.880 8.603 1.00 0.00 N ATOM 74 CA THR A 5 85.582 7.045 9.268 1.00 0.00 C ATOM 75 C THR A 5 85.592 5.658 8.632 1.00 0.00 C ATOM 76 O THR A 5 84.622 4.907 8.743 1.00 0.00 O ATOM 77 CB THR A 5 85.262 6.960 10.767 1.00 0.00 C ATOM 78 OG1 THR A 5 84.110 7.748 11.034 1.00 0.00 O ATOM 79 CG2 THR A 5 86.429 7.486 11.608 1.00 0.00 C ATOM 0 H THR A 5 83.744 8.058 9.143 1.00 0.00 H new ATOM 0 HA THR A 5 86.573 7.484 9.152 1.00 0.00 H new ATOM 0 HB THR A 5 85.087 5.917 11.029 1.00 0.00 H new ATOM 0 HG1 THR A 5 83.895 7.700 11.989 1.00 0.00 H new ATOM 0 HG21 THR A 5 86.176 7.415 12.666 1.00 0.00 H new ATOM 0 HG22 THR A 5 87.320 6.891 11.407 1.00 0.00 H new ATOM 0 HG23 THR A 5 86.623 8.527 11.351 1.00 0.00 H new ATOM 87 N GLN A 6 86.701 5.318 7.982 1.00 0.00 N ATOM 88 CA GLN A 6 86.841 4.018 7.333 1.00 0.00 C ATOM 89 C GLN A 6 88.287 3.540 7.451 1.00 0.00 C ATOM 90 O GLN A 6 89.199 4.335 7.220 1.00 0.00 O ATOM 91 CB GLN A 6 86.457 4.134 5.855 1.00 0.00 C ATOM 92 CG GLN A 6 86.194 2.744 5.272 1.00 0.00 C ATOM 93 CD GLN A 6 85.774 2.874 3.813 1.00 0.00 C ATOM 94 OE1 GLN A 6 86.409 2.304 2.927 1.00 0.00 O ATOM 95 NE2 GLN A 6 84.701 3.552 3.514 1.00 0.00 N ATOM 0 H GLN A 6 87.516 5.924 7.891 1.00 0.00 H new ATOM 0 HA GLN A 6 86.182 3.300 7.820 1.00 0.00 H new ATOM 0 HB2 GLN A 6 85.568 4.756 5.749 1.00 0.00 H new ATOM 0 HB3 GLN A 6 87.257 4.625 5.300 1.00 0.00 H new ATOM 0 HG2 GLN A 6 87.091 2.130 5.350 1.00 0.00 H new ATOM 0 HG3 GLN A 6 85.413 2.241 5.842 1.00 0.00 H new ATOM 0 HE21 GLN A 6 84.175 4.024 4.249 1.00 0.00 H new ATOM 0 HE22 GLN A 6 84.388 3.610 2.545 1.00 0.00 H new ATOM 104 N PRO A 7 88.555 2.277 7.661 1.00 0.00 N ATOM 105 CA PRO A 7 89.960 1.816 7.837 1.00 0.00 C ATOM 106 C PRO A 7 90.845 2.317 6.700 1.00 0.00 C ATOM 107 O PRO A 7 90.439 2.297 5.539 1.00 0.00 O ATOM 108 CB PRO A 7 89.868 0.283 7.852 1.00 0.00 C ATOM 109 CG PRO A 7 88.415 -0.065 7.759 1.00 0.00 C ATOM 110 CD PRO A 7 87.620 1.209 8.052 1.00 0.00 C ATOM 0 HA PRO A 7 90.413 2.201 8.751 1.00 0.00 H new ATOM 0 HB2 PRO A 7 90.422 -0.146 7.017 1.00 0.00 H new ATOM 0 HB3 PRO A 7 90.305 -0.121 8.765 1.00 0.00 H new ATOM 0 HG2 PRO A 7 88.175 -0.448 6.767 1.00 0.00 H new ATOM 0 HG3 PRO A 7 88.161 -0.848 8.473 1.00 0.00 H new ATOM 0 HD2 PRO A 7 86.696 1.250 7.476 1.00 0.00 H new ATOM 0 HD3 PRO A 7 87.343 1.280 9.104 1.00 0.00 H new ATOM 118 N HIS A 8 92.043 2.782 7.036 1.00 0.00 N ATOM 119 CA HIS A 8 92.937 3.331 6.025 1.00 0.00 C ATOM 120 C HIS A 8 93.241 2.290 4.955 1.00 0.00 C ATOM 121 O HIS A 8 93.157 2.573 3.759 1.00 0.00 O ATOM 122 CB HIS A 8 94.246 3.786 6.672 1.00 0.00 C ATOM 123 CG HIS A 8 94.867 2.633 7.413 1.00 0.00 C ATOM 124 ND1 HIS A 8 94.517 2.309 8.714 1.00 0.00 N ATOM 125 CD2 HIS A 8 95.810 1.706 7.037 1.00 0.00 C ATOM 126 CE1 HIS A 8 95.234 1.230 9.070 1.00 0.00 C ATOM 127 NE2 HIS A 8 96.034 0.815 8.084 1.00 0.00 N ATOM 0 H HIS A 8 92.413 2.790 7.986 1.00 0.00 H new ATOM 0 HA HIS A 8 92.443 4.184 5.561 1.00 0.00 H new ATOM 0 HB2 HIS A 8 94.932 4.154 5.909 1.00 0.00 H new ATOM 0 HB3 HIS A 8 94.057 4.613 7.357 1.00 0.00 H new ATOM 0 HD2 HIS A 8 96.302 1.674 6.076 1.00 0.00 H new ATOM 0 HE1 HIS A 8 95.171 0.755 10.038 1.00 0.00 H new ATOM 0 HE2 HIS A 8 96.671 0.018 8.095 1.00 0.00 H new ATOM 135 N SER A 9 93.623 1.094 5.391 1.00 0.00 N ATOM 136 CA SER A 9 93.910 0.007 4.464 1.00 0.00 C ATOM 137 C SER A 9 93.807 -1.339 5.173 1.00 0.00 C ATOM 138 O SER A 9 94.044 -1.435 6.377 1.00 0.00 O ATOM 139 CB SER A 9 95.313 0.176 3.877 1.00 0.00 C ATOM 140 OG SER A 9 95.538 1.545 3.578 1.00 0.00 O ATOM 0 H SER A 9 93.740 0.854 6.375 1.00 0.00 H new ATOM 0 HA SER A 9 93.177 0.037 3.658 1.00 0.00 H new ATOM 0 HB2 SER A 9 96.061 -0.180 4.585 1.00 0.00 H new ATOM 0 HB3 SER A 9 95.416 -0.426 2.974 1.00 0.00 H new ATOM 0 HG SER A 9 94.709 1.947 3.244 1.00 0.00 H new ATOM 146 N VAL A 10 93.466 -2.375 4.414 1.00 0.00 N ATOM 147 CA VAL A 10 93.375 -3.721 4.968 1.00 0.00 C ATOM 148 C VAL A 10 93.453 -4.761 3.856 1.00 0.00 C ATOM 149 O VAL A 10 93.142 -4.473 2.700 1.00 0.00 O ATOM 150 CB VAL A 10 92.059 -3.878 5.734 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.885 -3.536 4.816 1.00 0.00 C ATOM 152 CG2 VAL A 10 91.922 -5.320 6.229 1.00 0.00 C ATOM 0 H VAL A 10 93.249 -2.310 3.419 1.00 0.00 H new ATOM 0 HA VAL A 10 94.211 -3.876 5.650 1.00 0.00 H new ATOM 0 HB VAL A 10 92.056 -3.201 6.588 1.00 0.00 H new ATOM 0 HG11 VAL A 10 89.950 -3.649 5.364 1.00 0.00 H new ATOM 0 HG12 VAL A 10 90.981 -2.507 4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.886 -4.208 3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 10 90.985 -5.430 6.774 1.00 0.00 H new ATOM 0 HG22 VAL A 10 91.928 -5.999 5.377 1.00 0.00 H new ATOM 0 HG23 VAL A 10 92.756 -5.559 6.889 1.00 0.00 H new ATOM 162 N SER A 11 93.901 -5.965 4.204 1.00 0.00 N ATOM 163 CA SER A 11 94.049 -7.040 3.229 1.00 0.00 C ATOM 164 C SER A 11 93.423 -8.325 3.759 1.00 0.00 C ATOM 165 O SER A 11 93.452 -8.592 4.961 1.00 0.00 O ATOM 166 CB SER A 11 95.533 -7.278 2.940 1.00 0.00 C ATOM 167 OG SER A 11 95.726 -8.622 2.524 1.00 0.00 O ATOM 0 H SER A 11 94.168 -6.220 5.155 1.00 0.00 H new ATOM 0 HA SER A 11 93.541 -6.749 2.310 1.00 0.00 H new ATOM 0 HB2 SER A 11 95.878 -6.593 2.165 1.00 0.00 H new ATOM 0 HB3 SER A 11 96.125 -7.074 3.832 1.00 0.00 H new ATOM 0 HG SER A 11 95.248 -8.776 1.682 1.00 0.00 H new ATOM 173 N GLU A 12 92.910 -9.150 2.850 1.00 0.00 N ATOM 174 CA GLU A 12 92.299 -10.421 3.231 1.00 0.00 C ATOM 175 C GLU A 12 92.649 -11.507 2.216 1.00 0.00 C ATOM 176 O GLU A 12 93.073 -11.207 1.100 1.00 0.00 O ATOM 177 CB GLU A 12 90.778 -10.246 3.324 1.00 0.00 C ATOM 178 CG GLU A 12 90.209 -11.089 4.470 1.00 0.00 C ATOM 179 CD GLU A 12 90.442 -10.381 5.801 1.00 0.00 C ATOM 180 OE1 GLU A 12 90.174 -9.193 5.869 1.00 0.00 O ATOM 181 OE2 GLU A 12 90.912 -11.028 6.722 1.00 0.00 O ATOM 0 H GLU A 12 92.905 -8.962 1.847 1.00 0.00 H new ATOM 0 HA GLU A 12 92.686 -10.728 4.203 1.00 0.00 H new ATOM 0 HB2 GLU A 12 90.536 -9.195 3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 12 90.314 -10.541 2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 12 89.142 -11.253 4.317 1.00 0.00 H new ATOM 0 HG3 GLU A 12 90.684 -12.070 4.482 1.00 0.00 H new ATOM 188 N SER A 13 92.483 -12.770 2.600 1.00 0.00 N ATOM 189 CA SER A 13 92.829 -13.875 1.713 1.00 0.00 C ATOM 190 C SER A 13 91.659 -14.198 0.787 1.00 0.00 C ATOM 191 O SER A 13 90.518 -13.873 1.117 1.00 0.00 O ATOM 192 CB SER A 13 93.193 -15.109 2.542 1.00 0.00 C ATOM 193 OG SER A 13 93.966 -14.709 3.663 1.00 0.00 O ATOM 0 H SER A 13 92.115 -13.051 3.509 1.00 0.00 H new ATOM 0 HA SER A 13 93.686 -13.584 1.105 1.00 0.00 H new ATOM 0 HB2 SER A 13 92.288 -15.619 2.873 1.00 0.00 H new ATOM 0 HB3 SER A 13 93.754 -15.818 1.933 1.00 0.00 H new ATOM 0 HG SER A 13 94.199 -15.497 4.197 1.00 0.00 H new ATOM 199 N PRO A 14 91.885 -14.806 -0.349 1.00 0.00 N ATOM 200 CA PRO A 14 90.772 -15.232 -1.244 1.00 0.00 C ATOM 201 C PRO A 14 89.907 -16.321 -0.614 1.00 0.00 C ATOM 202 O PRO A 14 90.387 -17.421 -0.340 1.00 0.00 O ATOM 203 CB PRO A 14 91.461 -15.728 -2.524 1.00 0.00 C ATOM 204 CG PRO A 14 92.930 -15.519 -2.340 1.00 0.00 C ATOM 205 CD PRO A 14 93.178 -15.305 -0.845 1.00 0.00 C ATOM 0 HA PRO A 14 90.083 -14.410 -1.441 1.00 0.00 H new ATOM 0 HB2 PRO A 14 91.240 -16.781 -2.697 1.00 0.00 H new ATOM 0 HB3 PRO A 14 91.100 -15.179 -3.394 1.00 0.00 H new ATOM 0 HG2 PRO A 14 93.489 -16.382 -2.702 1.00 0.00 H new ATOM 0 HG3 PRO A 14 93.270 -14.656 -2.913 1.00 0.00 H new ATOM 0 HD2 PRO A 14 93.467 -16.232 -0.350 1.00 0.00 H new ATOM 0 HD3 PRO A 14 93.979 -14.587 -0.670 1.00 0.00 H new ATOM 213 N GLY A 15 88.596 -16.092 -0.605 1.00 0.00 N ATOM 214 CA GLY A 15 87.643 -17.083 -0.112 1.00 0.00 C ATOM 215 C GLY A 15 87.099 -16.677 1.255 1.00 0.00 C ATOM 216 O GLY A 15 86.293 -17.393 1.849 1.00 0.00 O ATOM 0 H GLY A 15 88.169 -15.226 -0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 15 86.821 -17.187 -0.820 1.00 0.00 H new ATOM 0 HA3 GLY A 15 88.128 -18.057 -0.041 1.00 0.00 H new ATOM 220 N LYS A 16 87.644 -15.593 1.798 1.00 0.00 N ATOM 221 CA LYS A 16 87.211 -15.082 3.094 1.00 0.00 C ATOM 222 C LYS A 16 86.066 -14.090 2.926 1.00 0.00 C ATOM 223 O LYS A 16 85.791 -13.617 1.823 1.00 0.00 O ATOM 224 CB LYS A 16 88.391 -14.404 3.799 1.00 0.00 C ATOM 225 CG LYS A 16 89.193 -15.438 4.593 1.00 0.00 C ATOM 226 CD LYS A 16 90.388 -14.758 5.265 1.00 0.00 C ATOM 227 CE LYS A 16 91.111 -15.775 6.151 1.00 0.00 C ATOM 228 NZ LYS A 16 91.544 -16.939 5.329 1.00 0.00 N ATOM 0 H LYS A 16 88.388 -15.050 1.359 1.00 0.00 H new ATOM 0 HA LYS A 16 86.857 -15.917 3.699 1.00 0.00 H new ATOM 0 HB2 LYS A 16 89.034 -13.919 3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 16 88.026 -13.624 4.467 1.00 0.00 H new ATOM 0 HG2 LYS A 16 88.558 -15.906 5.345 1.00 0.00 H new ATOM 0 HG3 LYS A 16 89.539 -16.231 3.930 1.00 0.00 H new ATOM 0 HD2 LYS A 16 91.070 -14.365 4.511 1.00 0.00 H new ATOM 0 HD3 LYS A 16 90.051 -13.911 5.863 1.00 0.00 H new ATOM 0 HE2 LYS A 16 91.976 -15.310 6.624 1.00 0.00 H new ATOM 0 HE3 LYS A 16 90.451 -16.108 6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 92.535 -17.168 5.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 90.943 -17.760 5.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 91.457 -16.703 4.320 1.00 0.00 H new ATOM 242 N THR A 17 85.431 -13.754 4.045 1.00 0.00 N ATOM 243 CA THR A 17 84.362 -12.761 4.051 1.00 0.00 C ATOM 244 C THR A 17 84.890 -11.437 4.596 1.00 0.00 C ATOM 245 O THR A 17 85.250 -11.344 5.769 1.00 0.00 O ATOM 246 CB THR A 17 83.201 -13.251 4.920 1.00 0.00 C ATOM 247 OG1 THR A 17 83.705 -13.706 6.166 1.00 0.00 O ATOM 248 CG2 THR A 17 82.481 -14.403 4.214 1.00 0.00 C ATOM 0 H THR A 17 85.638 -14.155 4.960 1.00 0.00 H new ATOM 0 HA THR A 17 84.007 -12.614 3.031 1.00 0.00 H new ATOM 0 HB THR A 17 82.501 -12.432 5.084 1.00 0.00 H new ATOM 0 HG1 THR A 17 84.387 -13.082 6.491 1.00 0.00 H new ATOM 0 HG21 THR A 17 81.655 -14.750 4.834 1.00 0.00 H new ATOM 0 HG22 THR A 17 82.094 -14.057 3.255 1.00 0.00 H new ATOM 0 HG23 THR A 17 83.180 -15.223 4.049 1.00 0.00 H new ATOM 256 N VAL A 18 84.711 -10.379 3.812 1.00 0.00 N ATOM 257 CA VAL A 18 85.143 -9.040 4.201 1.00 0.00 C ATOM 258 C VAL A 18 83.914 -8.158 4.373 1.00 0.00 C ATOM 259 O VAL A 18 82.978 -8.222 3.580 1.00 0.00 O ATOM 260 CB VAL A 18 86.072 -8.457 3.128 1.00 0.00 C ATOM 261 CG1 VAL A 18 86.043 -6.926 3.118 1.00 0.00 C ATOM 262 CG2 VAL A 18 87.511 -8.920 3.366 1.00 0.00 C ATOM 0 H VAL A 18 84.266 -10.424 2.895 1.00 0.00 H new ATOM 0 HA VAL A 18 85.692 -9.086 5.142 1.00 0.00 H new ATOM 0 HB VAL A 18 85.713 -8.818 2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.714 -6.554 2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.029 -6.583 2.914 1.00 0.00 H new ATOM 0 HG13 VAL A 18 86.365 -6.550 4.089 1.00 0.00 H new ATOM 0 HG21 VAL A 18 88.160 -8.500 2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 18 87.844 -8.583 4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 18 87.555 -10.008 3.322 1.00 0.00 H new ATOM 272 N THR A 19 83.942 -7.336 5.416 1.00 0.00 N ATOM 273 CA THR A 19 82.847 -6.421 5.710 1.00 0.00 C ATOM 274 C THR A 19 83.411 -5.018 5.893 1.00 0.00 C ATOM 275 O THR A 19 84.200 -4.768 6.805 1.00 0.00 O ATOM 276 CB THR A 19 82.153 -6.872 7.000 1.00 0.00 C ATOM 277 OG1 THR A 19 81.788 -8.238 6.873 1.00 0.00 O ATOM 278 CG2 THR A 19 80.898 -6.041 7.285 1.00 0.00 C ATOM 0 H THR A 19 84.718 -7.285 6.076 1.00 0.00 H new ATOM 0 HA THR A 19 82.127 -6.420 4.892 1.00 0.00 H new ATOM 0 HB THR A 19 82.847 -6.732 7.829 1.00 0.00 H new ATOM 0 HG1 THR A 19 81.345 -8.536 7.695 1.00 0.00 H new ATOM 0 HG21 THR A 19 80.433 -6.389 8.207 1.00 0.00 H new ATOM 0 HG22 THR A 19 81.173 -4.992 7.391 1.00 0.00 H new ATOM 0 HG23 THR A 19 80.194 -6.150 6.460 1.00 0.00 H new ATOM 286 N ILE A 20 82.961 -4.092 5.053 1.00 0.00 N ATOM 287 CA ILE A 20 83.457 -2.721 5.103 1.00 0.00 C ATOM 288 C ILE A 20 82.520 -1.871 5.953 1.00 0.00 C ATOM 289 O ILE A 20 81.299 -1.947 5.818 1.00 0.00 O ATOM 290 CB ILE A 20 83.534 -2.125 3.694 1.00 0.00 C ATOM 291 CG1 ILE A 20 84.313 -3.066 2.772 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.240 -0.769 3.761 1.00 0.00 C ATOM 293 CD1 ILE A 20 84.212 -2.581 1.324 1.00 0.00 C ATOM 0 H ILE A 20 82.258 -4.264 4.334 1.00 0.00 H new ATOM 0 HA ILE A 20 84.455 -2.729 5.541 1.00 0.00 H new ATOM 0 HB ILE A 20 82.527 -1.996 3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 20 85.358 -3.106 3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 20 83.918 -4.078 2.854 1.00 0.00 H new ATOM 0 HG21 ILE A 20 84.298 -0.339 2.761 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.679 -0.099 4.412 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.246 -0.902 4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 20 84.769 -3.256 0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 20 83.166 -2.564 1.018 1.00 0.00 H new ATOM 0 HD13 ILE A 20 84.629 -1.577 1.247 1.00 0.00 H new ATOM 305 N SER A 21 83.103 -1.104 6.869 1.00 0.00 N ATOM 306 CA SER A 21 82.332 -0.248 7.763 1.00 0.00 C ATOM 307 C SER A 21 82.537 1.216 7.382 1.00 0.00 C ATOM 308 O SER A 21 83.662 1.715 7.399 1.00 0.00 O ATOM 309 CB SER A 21 82.787 -0.491 9.205 1.00 0.00 C ATOM 310 OG SER A 21 82.881 -1.888 9.445 1.00 0.00 O ATOM 0 H SER A 21 84.112 -1.058 7.012 1.00 0.00 H new ATOM 0 HA SER A 21 81.271 -0.484 7.676 1.00 0.00 H new ATOM 0 HB2 SER A 21 83.753 -0.016 9.377 1.00 0.00 H new ATOM 0 HB3 SER A 21 82.081 -0.039 9.901 1.00 0.00 H new ATOM 0 HG SER A 21 83.174 -2.042 10.367 1.00 0.00 H new ATOM 316 N CYS A 22 81.434 1.921 7.132 1.00 0.00 N ATOM 317 CA CYS A 22 81.470 3.336 6.759 1.00 0.00 C ATOM 318 C CYS A 22 80.707 4.120 7.833 1.00 0.00 C ATOM 319 O CYS A 22 79.576 3.767 8.169 1.00 0.00 O ATOM 320 CB CYS A 22 80.839 3.546 5.367 1.00 0.00 C ATOM 321 SG CYS A 22 82.064 3.350 4.035 1.00 0.00 S ATOM 0 H CYS A 22 80.493 1.530 7.182 1.00 0.00 H new ATOM 0 HA CYS A 22 82.500 3.689 6.700 1.00 0.00 H new ATOM 0 HB2 CYS A 22 80.028 2.832 5.224 1.00 0.00 H new ATOM 0 HB3 CYS A 22 80.399 4.542 5.313 1.00 0.00 H new ATOM 326 N THR A 23 81.413 4.987 8.562 1.00 0.00 N ATOM 327 CA THR A 23 80.787 5.820 9.588 1.00 0.00 C ATOM 328 C THR A 23 80.947 7.276 9.178 1.00 0.00 C ATOM 329 O THR A 23 82.077 7.750 9.056 1.00 0.00 O ATOM 330 CB THR A 23 81.449 5.630 10.956 1.00 0.00 C ATOM 331 OG1 THR A 23 81.294 4.280 11.370 1.00 0.00 O ATOM 332 CG2 THR A 23 80.806 6.556 11.996 1.00 0.00 C ATOM 0 H THR A 23 82.418 5.130 8.460 1.00 0.00 H new ATOM 0 HA THR A 23 79.739 5.534 9.673 1.00 0.00 H new ATOM 0 HB THR A 23 82.508 5.875 10.872 1.00 0.00 H new ATOM 0 HG1 THR A 23 81.718 4.155 12.245 1.00 0.00 H new ATOM 0 HG21 THR A 23 81.288 6.408 12.962 1.00 0.00 H new ATOM 0 HG22 THR A 23 80.928 7.593 11.684 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.744 6.325 12.081 1.00 0.00 H new ATOM 340 N ARG A 24 79.878 8.044 9.356 1.00 0.00 N ATOM 341 CA ARG A 24 79.973 9.489 9.189 1.00 0.00 C ATOM 342 C ARG A 24 80.269 10.139 10.537 1.00 0.00 C ATOM 343 O ARG A 24 79.601 9.859 11.533 1.00 0.00 O ATOM 344 CB ARG A 24 78.669 10.021 8.580 1.00 0.00 C ATOM 345 CG ARG A 24 78.919 11.255 7.704 1.00 0.00 C ATOM 346 CD ARG A 24 77.664 11.573 6.888 1.00 0.00 C ATOM 347 NE ARG A 24 76.584 12.031 7.758 1.00 0.00 N ATOM 348 CZ ARG A 24 76.133 13.282 7.711 1.00 0.00 C ATOM 349 NH1 ARG A 24 76.935 14.279 7.968 1.00 0.00 N ATOM 350 NH2 ARG A 24 74.896 13.517 7.364 1.00 0.00 N ATOM 0 H ARG A 24 78.953 7.699 9.611 1.00 0.00 H new ATOM 0 HA ARG A 24 80.788 9.736 8.509 1.00 0.00 H new ATOM 0 HB2 ARG A 24 78.200 9.239 7.983 1.00 0.00 H new ATOM 0 HB3 ARG A 24 77.971 10.275 9.378 1.00 0.00 H new ATOM 0 HG2 ARG A 24 79.184 12.108 8.328 1.00 0.00 H new ATOM 0 HG3 ARG A 24 79.762 11.074 7.037 1.00 0.00 H new ATOM 0 HD2 ARG A 24 77.891 12.340 6.147 1.00 0.00 H new ATOM 0 HD3 ARG A 24 77.345 10.686 6.341 1.00 0.00 H new ATOM 0 HE ARG A 24 76.165 11.376 8.418 1.00 0.00 H new ATOM 0 HH11 ARG A 24 77.911 14.100 8.206 1.00 0.00 H new ATOM 0 HH12 ARG A 24 76.586 15.237 7.931 1.00 0.00 H new ATOM 0 HH21 ARG A 24 74.276 12.742 7.129 1.00 0.00 H new ATOM 0 HH22 ARG A 24 74.550 14.476 7.328 1.00 0.00 H new ATOM 364 N SER A 25 81.149 11.134 10.514 1.00 0.00 N ATOM 365 CA SER A 25 81.483 11.889 11.717 1.00 0.00 C ATOM 366 C SER A 25 80.234 12.534 12.311 1.00 0.00 C ATOM 367 O SER A 25 80.330 13.464 13.114 1.00 0.00 O ATOM 368 CB SER A 25 82.546 12.950 11.426 1.00 0.00 C ATOM 369 OG SER A 25 83.815 12.321 11.320 1.00 0.00 O ATOM 0 H SER A 25 81.644 11.437 9.675 1.00 0.00 H new ATOM 0 HA SER A 25 81.894 11.191 12.446 1.00 0.00 H new ATOM 0 HB2 SER A 25 82.309 13.476 10.501 1.00 0.00 H new ATOM 0 HB3 SER A 25 82.561 13.695 12.222 1.00 0.00 H new ATOM 0 HG SER A 25 84.514 12.945 11.607 1.00 0.00 H new ATOM 375 N SER A 26 79.099 12.253 11.679 1.00 0.00 N ATOM 376 CA SER A 26 77.830 12.877 12.039 1.00 0.00 C ATOM 377 C SER A 26 76.969 11.889 12.821 1.00 0.00 C ATOM 378 O SER A 26 76.015 12.278 13.495 1.00 0.00 O ATOM 379 CB SER A 26 77.129 13.328 10.753 1.00 0.00 C ATOM 380 OG SER A 26 76.800 14.706 10.858 1.00 0.00 O ATOM 0 H SER A 26 79.032 11.590 10.907 1.00 0.00 H new ATOM 0 HA SER A 26 77.999 13.745 12.676 1.00 0.00 H new ATOM 0 HB2 SER A 26 77.778 13.161 9.893 1.00 0.00 H new ATOM 0 HB3 SER A 26 76.227 12.738 10.590 1.00 0.00 H new ATOM 0 HG SER A 26 75.993 14.891 10.333 1.00 0.00 H new ATOM 386 N GLY A 27 77.309 10.608 12.714 1.00 0.00 N ATOM 387 CA GLY A 27 76.565 9.565 13.410 1.00 0.00 C ATOM 388 C GLY A 27 75.224 9.305 12.730 1.00 0.00 C ATOM 389 O GLY A 27 74.316 8.733 13.333 1.00 0.00 O ATOM 0 H GLY A 27 78.091 10.269 12.154 1.00 0.00 H new ATOM 0 HA2 GLY A 27 77.151 8.646 13.430 1.00 0.00 H new ATOM 0 HA3 GLY A 27 76.400 9.860 14.446 1.00 0.00 H new ATOM 393 N SER A 28 75.140 9.653 11.448 1.00 0.00 N ATOM 394 CA SER A 28 73.918 9.468 10.671 1.00 0.00 C ATOM 395 C SER A 28 74.180 8.565 9.470 1.00 0.00 C ATOM 396 O SER A 28 74.921 8.929 8.557 1.00 0.00 O ATOM 397 CB SER A 28 73.404 10.820 10.173 1.00 0.00 C ATOM 398 OG SER A 28 72.314 10.613 9.286 1.00 0.00 O ATOM 0 H SER A 28 75.910 10.067 10.923 1.00 0.00 H new ATOM 0 HA SER A 28 73.171 9.004 11.315 1.00 0.00 H new ATOM 0 HB2 SER A 28 73.089 11.435 11.016 1.00 0.00 H new ATOM 0 HB3 SER A 28 74.203 11.360 9.665 1.00 0.00 H new ATOM 0 HG SER A 28 71.983 11.478 8.967 1.00 0.00 H new ATOM 404 N ILE A 29 73.630 7.355 9.519 1.00 0.00 N ATOM 405 CA ILE A 29 73.821 6.367 8.460 1.00 0.00 C ATOM 406 C ILE A 29 72.514 5.676 8.088 1.00 0.00 C ATOM 407 O ILE A 29 71.998 5.858 6.986 1.00 0.00 O ATOM 408 CB ILE A 29 74.814 5.298 8.924 1.00 0.00 C ATOM 409 CG1 ILE A 29 74.466 4.826 10.350 1.00 0.00 C ATOM 410 CG2 ILE A 29 76.250 5.841 8.859 1.00 0.00 C ATOM 411 CD1 ILE A 29 73.832 3.430 10.396 1.00 0.00 C ATOM 0 H ILE A 29 73.043 7.033 10.288 1.00 0.00 H new ATOM 0 HA ILE A 29 74.200 6.897 7.586 1.00 0.00 H new ATOM 0 HB ILE A 29 74.745 4.439 8.256 1.00 0.00 H new ATOM 0 HG12 ILE A 29 75.373 4.824 10.955 1.00 0.00 H new ATOM 0 HG13 ILE A 29 73.781 5.542 10.804 1.00 0.00 H new ATOM 0 HG21 ILE A 29 76.946 5.071 9.192 1.00 0.00 H new ATOM 0 HG22 ILE A 29 76.486 6.124 7.833 1.00 0.00 H new ATOM 0 HG23 ILE A 29 76.339 6.714 9.506 1.00 0.00 H new ATOM 0 HD11 ILE A 29 73.614 3.163 11.430 1.00 0.00 H new ATOM 0 HD12 ILE A 29 72.907 3.431 9.819 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.524 2.702 9.972 1.00 0.00 H new ATOM 423 N ALA A 30 71.943 4.942 9.039 1.00 0.00 N ATOM 424 CA ALA A 30 70.708 4.213 8.773 1.00 0.00 C ATOM 425 C ALA A 30 69.617 5.228 8.457 1.00 0.00 C ATOM 426 O ALA A 30 68.431 4.905 8.377 1.00 0.00 O ATOM 427 CB ALA A 30 70.302 3.392 10.002 1.00 0.00 C ATOM 0 H ALA A 30 72.309 4.837 9.985 1.00 0.00 H new ATOM 0 HA ALA A 30 70.853 3.532 7.934 1.00 0.00 H new ATOM 0 HB1 ALA A 30 69.379 2.853 9.790 1.00 0.00 H new ATOM 0 HB2 ALA A 30 71.092 2.680 10.241 1.00 0.00 H new ATOM 0 HB3 ALA A 30 70.146 4.059 10.850 1.00 0.00 H new ATOM 433 N SER A 31 70.043 6.485 8.492 1.00 0.00 N ATOM 434 CA SER A 31 69.153 7.620 8.260 1.00 0.00 C ATOM 435 C SER A 31 69.346 8.218 6.868 1.00 0.00 C ATOM 436 O SER A 31 68.612 9.126 6.472 1.00 0.00 O ATOM 437 CB SER A 31 69.365 8.685 9.338 1.00 0.00 C ATOM 438 OG SER A 31 70.754 8.875 9.564 1.00 0.00 O ATOM 0 H SER A 31 71.010 6.747 8.681 1.00 0.00 H new ATOM 0 HA SER A 31 68.127 7.255 8.316 1.00 0.00 H new ATOM 0 HB2 SER A 31 68.906 9.624 9.029 1.00 0.00 H new ATOM 0 HB3 SER A 31 68.876 8.381 10.263 1.00 0.00 H new ATOM 0 HG SER A 31 70.986 9.814 9.405 1.00 0.00 H new ATOM 444 N ASN A 32 70.412 7.809 6.183 1.00 0.00 N ATOM 445 CA ASN A 32 70.730 8.349 4.861 1.00 0.00 C ATOM 446 C ASN A 32 71.040 7.210 3.893 1.00 0.00 C ATOM 447 O ASN A 32 71.565 6.170 4.287 1.00 0.00 O ATOM 448 CB ASN A 32 71.927 9.308 4.949 1.00 0.00 C ATOM 449 CG ASN A 32 72.748 9.002 6.198 1.00 0.00 C ATOM 450 OD1 ASN A 32 73.939 8.698 6.109 1.00 0.00 O ATOM 451 ND2 ASN A 32 72.172 9.093 7.364 1.00 0.00 N ATOM 0 H ASN A 32 71.070 7.106 6.520 1.00 0.00 H new ATOM 0 HA ASN A 32 69.867 8.903 4.492 1.00 0.00 H new ATOM 0 HB2 ASN A 32 72.550 9.208 4.060 1.00 0.00 H new ATOM 0 HB3 ASN A 32 71.576 10.340 4.978 1.00 0.00 H new ATOM 0 HD21 ASN A 32 72.708 8.912 8.213 1.00 0.00 H new ATOM 0 HD22 ASN A 32 71.186 9.345 7.427 1.00 0.00 H new ATOM 458 N TYR A 33 70.783 7.451 2.611 1.00 0.00 N ATOM 459 CA TYR A 33 71.063 6.451 1.589 1.00 0.00 C ATOM 460 C TYR A 33 72.567 6.325 1.378 1.00 0.00 C ATOM 461 O TYR A 33 73.249 7.311 1.098 1.00 0.00 O ATOM 462 CB TYR A 33 70.392 6.840 0.270 1.00 0.00 C ATOM 463 CG TYR A 33 68.897 6.934 0.468 1.00 0.00 C ATOM 464 CD1 TYR A 33 68.163 5.777 0.757 1.00 0.00 C ATOM 465 CD2 TYR A 33 68.244 8.171 0.388 1.00 0.00 C ATOM 466 CE1 TYR A 33 66.777 5.850 0.941 1.00 0.00 C ATOM 467 CE2 TYR A 33 66.857 8.244 0.560 1.00 0.00 C ATOM 468 CZ TYR A 33 66.126 7.086 0.855 1.00 0.00 C ATOM 469 OH TYR A 33 64.762 7.164 1.056 1.00 0.00 O ATOM 0 H TYR A 33 70.385 8.322 2.258 1.00 0.00 H new ATOM 0 HA TYR A 33 70.665 5.493 1.923 1.00 0.00 H new ATOM 0 HB2 TYR A 33 70.783 7.795 -0.080 1.00 0.00 H new ATOM 0 HB3 TYR A 33 70.621 6.101 -0.498 1.00 0.00 H new ATOM 0 HD1 TYR A 33 68.668 4.826 0.838 1.00 0.00 H new ATOM 0 HD2 TYR A 33 68.812 9.069 0.193 1.00 0.00 H new ATOM 0 HE1 TYR A 33 66.211 4.954 1.149 1.00 0.00 H new ATOM 0 HE2 TYR A 33 66.350 9.193 0.465 1.00 0.00 H new ATOM 0 HH TYR A 33 64.470 8.095 0.961 1.00 0.00 H new ATOM 479 N VAL A 34 73.071 5.096 1.448 1.00 0.00 N ATOM 480 CA VAL A 34 74.501 4.842 1.300 1.00 0.00 C ATOM 481 C VAL A 34 74.765 3.925 0.115 1.00 0.00 C ATOM 482 O VAL A 34 73.912 3.132 -0.280 1.00 0.00 O ATOM 483 CB VAL A 34 75.068 4.203 2.569 1.00 0.00 C ATOM 484 CG1 VAL A 34 76.594 4.145 2.476 1.00 0.00 C ATOM 485 CG2 VAL A 34 74.657 5.040 3.783 1.00 0.00 C ATOM 0 H VAL A 34 72.509 4.259 1.607 1.00 0.00 H new ATOM 0 HA VAL A 34 74.993 5.799 1.128 1.00 0.00 H new ATOM 0 HB VAL A 34 74.677 3.191 2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 34 76.997 3.690 3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 34 76.883 3.549 1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 34 76.991 5.155 2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 34 75.059 4.588 4.690 1.00 0.00 H new ATOM 0 HG22 VAL A 34 75.049 6.051 3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 34 73.570 5.077 3.848 1.00 0.00 H new ATOM 495 N GLN A 35 75.903 4.149 -0.532 1.00 0.00 N ATOM 496 CA GLN A 35 76.271 3.385 -1.716 1.00 0.00 C ATOM 497 C GLN A 35 77.753 3.028 -1.677 1.00 0.00 C ATOM 498 O GLN A 35 78.535 3.653 -0.962 1.00 0.00 O ATOM 499 CB GLN A 35 75.964 4.203 -2.972 1.00 0.00 C ATOM 500 CG GLN A 35 76.291 5.687 -2.781 1.00 0.00 C ATOM 501 CD GLN A 35 75.049 6.477 -2.381 1.00 0.00 C ATOM 502 OE1 GLN A 35 74.297 6.930 -3.243 1.00 0.00 O ATOM 503 NE2 GLN A 35 74.751 6.614 -1.120 1.00 0.00 N ATOM 0 H GLN A 35 76.586 4.854 -0.256 1.00 0.00 H new ATOM 0 HA GLN A 35 75.691 2.462 -1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 35 76.538 3.810 -3.811 1.00 0.00 H new ATOM 0 HB3 GLN A 35 74.910 4.093 -3.228 1.00 0.00 H new ATOM 0 HG2 GLN A 35 77.058 5.798 -2.015 1.00 0.00 H new ATOM 0 HG3 GLN A 35 76.702 6.094 -3.705 1.00 0.00 H new ATOM 0 HE21 GLN A 35 75.374 6.239 -0.405 1.00 0.00 H new ATOM 0 HE22 GLN A 35 73.895 7.097 -0.848 1.00 0.00 H new ATOM 512 N TRP A 36 78.115 1.974 -2.403 1.00 0.00 N ATOM 513 CA TRP A 36 79.493 1.496 -2.442 1.00 0.00 C ATOM 514 C TRP A 36 80.082 1.682 -3.836 1.00 0.00 C ATOM 515 O TRP A 36 79.396 1.502 -4.841 1.00 0.00 O ATOM 516 CB TRP A 36 79.528 0.016 -2.057 1.00 0.00 C ATOM 517 CG TRP A 36 79.098 -0.133 -0.632 1.00 0.00 C ATOM 518 CD1 TRP A 36 77.858 -0.486 -0.227 1.00 0.00 C ATOM 519 CD2 TRP A 36 79.872 0.099 0.582 1.00 0.00 C ATOM 520 NE1 TRP A 36 77.836 -0.547 1.153 1.00 0.00 N ATOM 521 CE2 TRP A 36 79.039 -0.153 1.703 1.00 0.00 C ATOM 522 CE3 TRP A 36 81.201 0.485 0.821 1.00 0.00 C ATOM 523 CZ2 TRP A 36 79.503 0.015 3.013 1.00 0.00 C ATOM 524 CZ3 TRP A 36 81.677 0.626 2.132 1.00 0.00 C ATOM 525 CH2 TRP A 36 80.845 0.349 3.226 1.00 0.00 C ATOM 0 H TRP A 36 77.468 1.432 -2.976 1.00 0.00 H new ATOM 0 HA TRP A 36 80.089 2.072 -1.734 1.00 0.00 H new ATOM 0 HB2 TRP A 36 78.870 -0.557 -2.710 1.00 0.00 H new ATOM 0 HB3 TRP A 36 80.534 -0.383 -2.189 1.00 0.00 H new ATOM 0 HD1 TRP A 36 77.020 -0.688 -0.877 1.00 0.00 H new ATOM 0 HE1 TRP A 36 77.028 -0.847 1.699 1.00 0.00 H new ATOM 0 HE3 TRP A 36 81.862 0.675 -0.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 78.832 -0.112 3.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 82.693 0.951 2.301 1.00 0.00 H new ATOM 0 HH2 TRP A 36 81.239 0.393 4.231 1.00 0.00 H new ATOM 536 N TYR A 37 81.323 2.156 -3.878 1.00 0.00 N ATOM 537 CA TYR A 37 82.029 2.394 -5.132 1.00 0.00 C ATOM 538 C TYR A 37 83.371 1.670 -5.124 1.00 0.00 C ATOM 539 O TYR A 37 84.007 1.528 -4.081 1.00 0.00 O ATOM 540 CB TYR A 37 82.240 3.901 -5.315 1.00 0.00 C ATOM 541 CG TYR A 37 81.081 4.514 -6.066 1.00 0.00 C ATOM 542 CD1 TYR A 37 80.999 4.361 -7.455 1.00 0.00 C ATOM 543 CD2 TYR A 37 80.086 5.222 -5.380 1.00 0.00 C ATOM 544 CE1 TYR A 37 79.933 4.930 -8.161 1.00 0.00 C ATOM 545 CE2 TYR A 37 79.002 5.763 -6.082 1.00 0.00 C ATOM 546 CZ TYR A 37 78.951 5.655 -7.477 1.00 0.00 C ATOM 547 OH TYR A 37 77.892 6.205 -8.171 1.00 0.00 O ATOM 0 H TYR A 37 81.866 2.385 -3.046 1.00 0.00 H new ATOM 0 HA TYR A 37 81.435 2.010 -5.961 1.00 0.00 H new ATOM 0 HB2 TYR A 37 82.343 4.380 -4.341 1.00 0.00 H new ATOM 0 HB3 TYR A 37 83.168 4.080 -5.858 1.00 0.00 H new ATOM 0 HD1 TYR A 37 81.759 3.803 -7.982 1.00 0.00 H new ATOM 0 HD2 TYR A 37 80.155 5.351 -4.310 1.00 0.00 H new ATOM 0 HE1 TYR A 37 79.868 4.810 -9.232 1.00 0.00 H new ATOM 0 HE2 TYR A 37 78.207 6.263 -5.549 1.00 0.00 H new ATOM 0 HH TYR A 37 77.205 5.521 -8.315 1.00 0.00 H new ATOM 557 N GLN A 38 83.807 1.259 -6.310 1.00 0.00 N ATOM 558 CA GLN A 38 85.100 0.603 -6.480 1.00 0.00 C ATOM 559 C GLN A 38 85.695 0.988 -7.832 1.00 0.00 C ATOM 560 O GLN A 38 85.060 0.812 -8.871 1.00 0.00 O ATOM 561 CB GLN A 38 84.952 -0.922 -6.377 1.00 0.00 C ATOM 562 CG GLN A 38 83.509 -1.352 -6.669 1.00 0.00 C ATOM 563 CD GLN A 38 82.677 -1.316 -5.390 1.00 0.00 C ATOM 564 OE1 GLN A 38 81.820 -0.448 -5.219 1.00 0.00 O ATOM 565 NE2 GLN A 38 82.843 -2.262 -4.506 1.00 0.00 N ATOM 0 H GLN A 38 83.279 1.370 -7.176 1.00 0.00 H new ATOM 0 HA GLN A 38 85.770 0.933 -5.686 1.00 0.00 H new ATOM 0 HB2 GLN A 38 85.629 -1.406 -7.081 1.00 0.00 H new ATOM 0 HB3 GLN A 38 85.240 -1.253 -5.379 1.00 0.00 H new ATOM 0 HG2 GLN A 38 83.069 -0.691 -7.416 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.500 -2.358 -7.089 1.00 0.00 H new ATOM 0 HE21 GLN A 38 83.554 -2.978 -4.653 1.00 0.00 H new ATOM 0 HE22 GLN A 38 82.261 -2.285 -3.668 1.00 0.00 H new ATOM 574 N GLN A 39 86.976 1.348 -7.821 1.00 0.00 N ATOM 575 CA GLN A 39 87.691 1.698 -9.045 1.00 0.00 C ATOM 576 C GLN A 39 89.005 0.925 -9.107 1.00 0.00 C ATOM 577 O GLN A 39 89.589 0.604 -8.071 1.00 0.00 O ATOM 578 CB GLN A 39 87.911 3.217 -9.095 1.00 0.00 C ATOM 579 CG GLN A 39 89.273 3.624 -8.522 1.00 0.00 C ATOM 580 CD GLN A 39 90.378 3.404 -9.551 1.00 0.00 C ATOM 581 OE1 GLN A 39 91.495 3.035 -9.190 1.00 0.00 O ATOM 582 NE2 GLN A 39 90.132 3.579 -10.821 1.00 0.00 N ATOM 0 H GLN A 39 87.542 1.405 -6.974 1.00 0.00 H new ATOM 0 HA GLN A 39 87.103 1.420 -9.920 1.00 0.00 H new ATOM 0 HB2 GLN A 39 87.836 3.559 -10.127 1.00 0.00 H new ATOM 0 HB3 GLN A 39 87.120 3.716 -8.535 1.00 0.00 H new ATOM 0 HG2 GLN A 39 89.250 4.672 -8.225 1.00 0.00 H new ATOM 0 HG3 GLN A 39 89.484 3.043 -7.624 1.00 0.00 H new ATOM 0 HE21 GLN A 39 89.207 3.885 -11.124 1.00 0.00 H new ATOM 0 HE22 GLN A 39 90.864 3.410 -11.510 1.00 0.00 H new ATOM 591 N ARG A 40 89.565 0.814 -10.309 1.00 0.00 N ATOM 592 CA ARG A 40 90.839 0.125 -10.491 1.00 0.00 C ATOM 593 C ARG A 40 91.634 0.782 -11.616 1.00 0.00 C ATOM 594 O ARG A 40 91.046 1.345 -12.540 1.00 0.00 O ATOM 595 CB ARG A 40 90.593 -1.354 -10.809 1.00 0.00 C ATOM 596 CG ARG A 40 89.351 -1.511 -11.690 1.00 0.00 C ATOM 597 CD ARG A 40 89.129 -2.989 -12.026 1.00 0.00 C ATOM 598 NE ARG A 40 88.359 -3.640 -10.971 1.00 0.00 N ATOM 599 CZ ARG A 40 87.690 -4.764 -11.207 1.00 0.00 C ATOM 600 NH1 ARG A 40 87.926 -5.435 -12.300 1.00 0.00 N ATOM 601 NH2 ARG A 40 86.760 -5.166 -10.385 1.00 0.00 N ATOM 0 H ARG A 40 89.160 1.190 -11.166 1.00 0.00 H new ATOM 0 HA ARG A 40 91.415 0.195 -9.569 1.00 0.00 H new ATOM 0 HB2 ARG A 40 91.462 -1.773 -11.317 1.00 0.00 H new ATOM 0 HB3 ARG A 40 90.463 -1.915 -9.883 1.00 0.00 H new ATOM 0 HG2 ARG A 40 88.477 -1.112 -11.175 1.00 0.00 H new ATOM 0 HG3 ARG A 40 89.471 -0.935 -12.608 1.00 0.00 H new ATOM 0 HD2 ARG A 40 88.603 -3.077 -12.977 1.00 0.00 H new ATOM 0 HD3 ARG A 40 90.090 -3.490 -12.146 1.00 0.00 H new ATOM 0 HE ARG A 40 88.334 -3.226 -10.039 1.00 0.00 H new ATOM 0 HH11 ARG A 40 88.620 -5.096 -12.967 1.00 0.00 H new ATOM 0 HH12 ARG A 40 87.417 -6.298 -12.488 1.00 0.00 H new ATOM 0 HH21 ARG A 40 86.542 -4.616 -9.554 1.00 0.00 H new ATOM 0 HH22 ARG A 40 86.251 -6.030 -10.574 1.00 0.00 H new ATOM 615 N PRO A 41 92.932 0.620 -11.635 1.00 0.00 N ATOM 616 CA PRO A 41 93.788 1.261 -12.672 1.00 0.00 C ATOM 617 C PRO A 41 93.285 0.918 -14.072 1.00 0.00 C ATOM 618 O PRO A 41 92.902 -0.221 -14.336 1.00 0.00 O ATOM 619 CB PRO A 41 95.195 0.696 -12.426 1.00 0.00 C ATOM 620 CG PRO A 41 95.116 -0.190 -11.221 1.00 0.00 C ATOM 621 CD PRO A 41 93.748 0.017 -10.567 1.00 0.00 C ATOM 0 HA PRO A 41 93.775 2.349 -12.607 1.00 0.00 H new ATOM 0 HB2 PRO A 41 95.540 0.134 -13.294 1.00 0.00 H new ATOM 0 HB3 PRO A 41 95.910 1.503 -12.263 1.00 0.00 H new ATOM 0 HG2 PRO A 41 95.247 -1.234 -11.507 1.00 0.00 H new ATOM 0 HG3 PRO A 41 95.914 0.051 -10.519 1.00 0.00 H new ATOM 0 HD2 PRO A 41 93.323 -0.926 -10.223 1.00 0.00 H new ATOM 0 HD3 PRO A 41 93.816 0.672 -9.698 1.00 0.00 H new ATOM 629 N GLY A 42 93.290 1.898 -14.972 1.00 0.00 N ATOM 630 CA GLY A 42 92.829 1.669 -16.338 1.00 0.00 C ATOM 631 C GLY A 42 91.317 1.834 -16.436 1.00 0.00 C ATOM 632 O GLY A 42 90.718 1.552 -17.474 1.00 0.00 O ATOM 0 H GLY A 42 93.605 2.849 -14.783 1.00 0.00 H new ATOM 0 HA2 GLY A 42 93.320 2.369 -17.014 1.00 0.00 H new ATOM 0 HA3 GLY A 42 93.111 0.666 -16.658 1.00 0.00 H new ATOM 636 N SER A 43 90.700 2.257 -15.338 1.00 0.00 N ATOM 637 CA SER A 43 89.248 2.388 -15.286 1.00 0.00 C ATOM 638 C SER A 43 88.848 3.382 -14.200 1.00 0.00 C ATOM 639 O SER A 43 89.693 3.831 -13.425 1.00 0.00 O ATOM 640 CB SER A 43 88.619 1.027 -14.986 1.00 0.00 C ATOM 641 OG SER A 43 89.187 0.038 -15.834 1.00 0.00 O ATOM 0 H SER A 43 91.180 2.514 -14.475 1.00 0.00 H new ATOM 0 HA SER A 43 88.892 2.751 -16.250 1.00 0.00 H new ATOM 0 HB2 SER A 43 88.784 0.762 -13.942 1.00 0.00 H new ATOM 0 HB3 SER A 43 87.540 1.073 -15.137 1.00 0.00 H new ATOM 0 HG SER A 43 88.783 -0.833 -15.638 1.00 0.00 H new ATOM 647 N SER A 44 87.549 3.655 -14.096 1.00 0.00 N ATOM 648 CA SER A 44 87.036 4.609 -13.116 1.00 0.00 C ATOM 649 C SER A 44 86.156 3.890 -12.096 1.00 0.00 C ATOM 650 O SER A 44 85.946 2.683 -12.205 1.00 0.00 O ATOM 651 CB SER A 44 86.254 5.709 -13.842 1.00 0.00 C ATOM 652 OG SER A 44 86.690 6.979 -13.379 1.00 0.00 O ATOM 0 H SER A 44 86.831 3.227 -14.681 1.00 0.00 H new ATOM 0 HA SER A 44 87.866 5.067 -12.578 1.00 0.00 H new ATOM 0 HB2 SER A 44 86.407 5.630 -14.918 1.00 0.00 H new ATOM 0 HB3 SER A 44 85.185 5.591 -13.662 1.00 0.00 H new ATOM 0 HG SER A 44 86.193 7.685 -13.843 1.00 0.00 H new ATOM 658 N PRO A 45 85.670 4.580 -11.098 1.00 0.00 N ATOM 659 CA PRO A 45 84.752 3.984 -10.086 1.00 0.00 C ATOM 660 C PRO A 45 83.394 3.632 -10.686 1.00 0.00 C ATOM 661 O PRO A 45 82.872 4.364 -11.527 1.00 0.00 O ATOM 662 CB PRO A 45 84.627 5.060 -8.997 1.00 0.00 C ATOM 663 CG PRO A 45 85.536 6.180 -9.393 1.00 0.00 C ATOM 664 CD PRO A 45 85.804 6.031 -10.892 1.00 0.00 C ATOM 0 HA PRO A 45 85.137 3.043 -9.693 1.00 0.00 H new ATOM 0 HB2 PRO A 45 83.598 5.408 -8.913 1.00 0.00 H new ATOM 0 HB3 PRO A 45 84.908 4.659 -8.023 1.00 0.00 H new ATOM 0 HG2 PRO A 45 85.076 7.144 -9.178 1.00 0.00 H new ATOM 0 HG3 PRO A 45 86.468 6.138 -8.829 1.00 0.00 H new ATOM 0 HD2 PRO A 45 85.087 6.593 -11.490 1.00 0.00 H new ATOM 0 HD3 PRO A 45 86.797 6.389 -11.164 1.00 0.00 H new ATOM 672 N THR A 46 82.766 2.590 -10.150 1.00 0.00 N ATOM 673 CA THR A 46 81.432 2.186 -10.584 1.00 0.00 C ATOM 674 C THR A 46 80.525 1.938 -9.383 1.00 0.00 C ATOM 675 O THR A 46 80.971 1.432 -8.353 1.00 0.00 O ATOM 676 CB THR A 46 81.530 0.905 -11.414 1.00 0.00 C ATOM 677 OG1 THR A 46 82.159 -0.114 -10.653 1.00 0.00 O ATOM 678 CG2 THR A 46 82.356 1.182 -12.671 1.00 0.00 C ATOM 0 H THR A 46 83.161 2.008 -9.412 1.00 0.00 H new ATOM 0 HA THR A 46 81.007 2.989 -11.186 1.00 0.00 H new ATOM 0 HB THR A 46 80.529 0.578 -11.694 1.00 0.00 H new ATOM 0 HG1 THR A 46 82.218 -0.933 -11.188 1.00 0.00 H new ATOM 0 HG21 THR A 46 82.429 0.272 -13.266 1.00 0.00 H new ATOM 0 HG22 THR A 46 81.873 1.962 -13.259 1.00 0.00 H new ATOM 0 HG23 THR A 46 83.355 1.509 -12.385 1.00 0.00 H new ATOM 686 N THR A 47 79.253 2.300 -9.518 1.00 0.00 N ATOM 687 CA THR A 47 78.288 2.073 -8.449 1.00 0.00 C ATOM 688 C THR A 47 77.966 0.586 -8.328 1.00 0.00 C ATOM 689 O THR A 47 77.356 0.013 -9.231 1.00 0.00 O ATOM 690 CB THR A 47 77.006 2.854 -8.751 1.00 0.00 C ATOM 691 OG1 THR A 47 77.341 4.157 -9.207 1.00 0.00 O ATOM 692 CG2 THR A 47 76.150 2.964 -7.487 1.00 0.00 C ATOM 0 H THR A 47 78.869 2.748 -10.350 1.00 0.00 H new ATOM 0 HA THR A 47 78.716 2.415 -7.506 1.00 0.00 H new ATOM 0 HB THR A 47 76.442 2.328 -9.522 1.00 0.00 H new ATOM 0 HG1 THR A 47 78.210 4.420 -8.837 1.00 0.00 H new ATOM 0 HG21 THR A 47 75.240 3.521 -7.711 1.00 0.00 H new ATOM 0 HG22 THR A 47 75.887 1.966 -7.137 1.00 0.00 H new ATOM 0 HG23 THR A 47 76.712 3.484 -6.711 1.00 0.00 H new ATOM 700 N VAL A 48 78.217 0.000 -7.158 1.00 0.00 N ATOM 701 CA VAL A 48 77.953 -1.426 -6.975 1.00 0.00 C ATOM 702 C VAL A 48 76.667 -1.655 -6.184 1.00 0.00 C ATOM 703 O VAL A 48 75.965 -2.630 -6.446 1.00 0.00 O ATOM 704 CB VAL A 48 79.148 -2.041 -6.229 1.00 0.00 C ATOM 705 CG1 VAL A 48 78.741 -3.183 -5.294 1.00 0.00 C ATOM 706 CG2 VAL A 48 80.180 -2.584 -7.222 1.00 0.00 C ATOM 0 H VAL A 48 78.594 0.478 -6.340 1.00 0.00 H new ATOM 0 HA VAL A 48 77.824 -1.898 -7.949 1.00 0.00 H new ATOM 0 HB VAL A 48 79.572 -1.237 -5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 48 79.626 -3.578 -4.795 1.00 0.00 H new ATOM 0 HG12 VAL A 48 78.040 -2.810 -4.548 1.00 0.00 H new ATOM 0 HG13 VAL A 48 78.267 -3.976 -5.873 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.019 -3.015 -6.676 1.00 0.00 H new ATOM 0 HG22 VAL A 48 79.718 -3.351 -7.843 1.00 0.00 H new ATOM 0 HG23 VAL A 48 80.538 -1.772 -7.855 1.00 0.00 H new ATOM 716 N ILE A 49 76.293 -0.726 -5.310 1.00 0.00 N ATOM 717 CA ILE A 49 75.032 -0.816 -4.588 1.00 0.00 C ATOM 718 C ILE A 49 74.496 0.600 -4.396 1.00 0.00 C ATOM 719 O ILE A 49 75.207 1.460 -3.876 1.00 0.00 O ATOM 720 CB ILE A 49 75.287 -1.542 -3.260 1.00 0.00 C ATOM 721 CG1 ILE A 49 75.167 -3.058 -3.446 1.00 0.00 C ATOM 722 CG2 ILE A 49 74.294 -1.079 -2.190 1.00 0.00 C ATOM 723 CD1 ILE A 49 75.663 -3.781 -2.192 1.00 0.00 C ATOM 0 H ILE A 49 76.848 0.100 -5.085 1.00 0.00 H new ATOM 0 HA ILE A 49 74.281 -1.386 -5.134 1.00 0.00 H new ATOM 0 HB ILE A 49 76.298 -1.299 -2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 49 74.130 -3.327 -3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 49 75.749 -3.374 -4.312 1.00 0.00 H new ATOM 0 HG21 ILE A 49 74.493 -1.606 -1.257 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.404 -0.006 -2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 49 73.278 -1.295 -2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 49 75.574 -4.858 -2.334 1.00 0.00 H new ATOM 0 HD12 ILE A 49 76.707 -3.524 -2.013 1.00 0.00 H new ATOM 0 HD13 ILE A 49 75.062 -3.477 -1.335 1.00 0.00 H new ATOM 735 N TYR A 50 73.180 0.750 -4.519 1.00 0.00 N ATOM 736 CA TYR A 50 72.526 2.039 -4.311 1.00 0.00 C ATOM 737 C TYR A 50 71.387 1.869 -3.310 1.00 0.00 C ATOM 738 O TYR A 50 71.168 0.764 -2.815 1.00 0.00 O ATOM 739 CB TYR A 50 72.027 2.582 -5.657 1.00 0.00 C ATOM 740 CG TYR A 50 72.222 4.079 -5.747 1.00 0.00 C ATOM 741 CD1 TYR A 50 73.521 4.600 -5.755 1.00 0.00 C ATOM 742 CD2 TYR A 50 71.122 4.940 -5.844 1.00 0.00 C ATOM 743 CE1 TYR A 50 73.722 5.982 -5.857 1.00 0.00 C ATOM 744 CE2 TYR A 50 71.324 6.322 -5.944 1.00 0.00 C ATOM 745 CZ TYR A 50 72.623 6.841 -5.981 1.00 0.00 C ATOM 746 OH TYR A 50 72.817 8.207 -6.007 1.00 0.00 O ATOM 0 H TYR A 50 72.543 -0.009 -4.763 1.00 0.00 H new ATOM 0 HA TYR A 50 73.231 2.762 -3.900 1.00 0.00 H new ATOM 0 HB2 TYR A 50 72.562 2.093 -6.471 1.00 0.00 H new ATOM 0 HB3 TYR A 50 70.971 2.342 -5.780 1.00 0.00 H new ATOM 0 HD1 TYR A 50 74.369 3.935 -5.682 1.00 0.00 H new ATOM 0 HD2 TYR A 50 70.119 4.539 -5.842 1.00 0.00 H new ATOM 0 HE1 TYR A 50 74.724 6.385 -5.840 1.00 0.00 H new ATOM 0 HE2 TYR A 50 70.476 6.989 -5.993 1.00 0.00 H new ATOM 0 HH TYR A 50 72.742 8.565 -5.098 1.00 0.00 H new ATOM 756 N GLU A 51 70.894 2.994 -2.809 1.00 0.00 N ATOM 757 CA GLU A 51 69.912 3.001 -1.731 1.00 0.00 C ATOM 758 C GLU A 51 70.308 2.016 -0.639 1.00 0.00 C ATOM 759 O GLU A 51 69.473 1.465 0.079 1.00 0.00 O ATOM 760 CB GLU A 51 68.603 2.492 -2.346 1.00 0.00 C ATOM 761 CG GLU A 51 67.460 2.551 -1.322 1.00 0.00 C ATOM 762 CD GLU A 51 66.221 3.219 -1.914 1.00 0.00 C ATOM 763 OE1 GLU A 51 65.409 2.512 -2.490 1.00 0.00 O ATOM 764 OE2 GLU A 51 66.115 4.430 -1.804 1.00 0.00 O ATOM 0 H GLU A 51 71.161 3.923 -3.136 1.00 0.00 H new ATOM 0 HA GLU A 51 69.831 3.999 -1.301 1.00 0.00 H new ATOM 0 HB2 GLU A 51 68.347 3.094 -3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 51 68.734 1.467 -2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 51 67.210 1.542 -0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 51 67.787 3.102 -0.440 1.00 0.00 H new ATOM 771 N ASP A 52 71.602 1.730 -0.634 1.00 0.00 N ATOM 772 CA ASP A 52 72.226 0.793 0.290 1.00 0.00 C ATOM 773 C ASP A 52 71.344 -0.445 0.403 1.00 0.00 C ATOM 774 O ASP A 52 71.582 -1.291 1.266 1.00 0.00 O ATOM 775 CB ASP A 52 72.343 1.430 1.677 1.00 0.00 C ATOM 776 CG ASP A 52 70.969 1.554 2.333 1.00 0.00 C ATOM 777 OD1 ASP A 52 70.432 0.532 2.730 1.00 0.00 O ATOM 778 OD2 ASP A 52 70.421 2.644 2.309 1.00 0.00 O ATOM 0 H ASP A 52 72.262 2.152 -1.287 1.00 0.00 H new ATOM 0 HA ASP A 52 73.217 0.530 -0.078 1.00 0.00 H new ATOM 0 HB2 ASP A 52 72.998 0.827 2.305 1.00 0.00 H new ATOM 0 HB3 ASP A 52 72.801 2.415 1.592 1.00 0.00 H new ATOM 783 N ASN A 53 70.441 -0.636 -0.553 1.00 0.00 N ATOM 784 CA ASN A 53 69.675 -1.870 -0.668 1.00 0.00 C ATOM 785 C ASN A 53 69.746 -2.429 -2.083 1.00 0.00 C ATOM 786 O ASN A 53 69.721 -3.643 -2.290 1.00 0.00 O ATOM 787 CB ASN A 53 68.254 -1.561 -0.192 1.00 0.00 C ATOM 788 CG ASN A 53 67.220 -2.470 -0.843 1.00 0.00 C ATOM 789 OD1 ASN A 53 66.714 -3.393 -0.206 1.00 0.00 O ATOM 790 ND2 ASN A 53 66.830 -2.205 -2.059 1.00 0.00 N ATOM 0 H ASN A 53 70.221 0.058 -1.267 1.00 0.00 H new ATOM 0 HA ASN A 53 70.088 -2.661 -0.043 1.00 0.00 H new ATOM 0 HB2 ASN A 53 68.203 -1.672 0.891 1.00 0.00 H new ATOM 0 HB3 ASN A 53 68.015 -0.522 -0.417 1.00 0.00 H new ATOM 0 HD21 ASN A 53 66.097 -2.766 -2.493 1.00 0.00 H new ATOM 0 HD22 ASN A 53 67.258 -1.437 -2.576 1.00 0.00 H new ATOM 797 N GLN A 54 69.530 -1.519 -3.033 1.00 0.00 N ATOM 798 CA GLN A 54 69.276 -1.917 -4.413 1.00 0.00 C ATOM 799 C GLN A 54 70.607 -2.223 -5.093 1.00 0.00 C ATOM 800 O GLN A 54 71.576 -1.491 -4.889 1.00 0.00 O ATOM 801 CB GLN A 54 68.496 -0.845 -5.185 1.00 0.00 C ATOM 802 CG GLN A 54 69.434 0.261 -5.674 1.00 0.00 C ATOM 803 CD GLN A 54 70.092 -0.127 -6.993 1.00 0.00 C ATOM 804 OE1 GLN A 54 69.429 -0.182 -8.028 1.00 0.00 O ATOM 805 NE2 GLN A 54 71.378 -0.332 -7.028 1.00 0.00 N ATOM 0 H GLN A 54 69.526 -0.512 -2.873 1.00 0.00 H new ATOM 0 HA GLN A 54 68.652 -2.811 -4.410 1.00 0.00 H new ATOM 0 HB2 GLN A 54 67.988 -1.300 -6.035 1.00 0.00 H new ATOM 0 HB3 GLN A 54 67.725 -0.417 -4.544 1.00 0.00 H new ATOM 0 HG2 GLN A 54 68.875 1.188 -5.801 1.00 0.00 H new ATOM 0 HG3 GLN A 54 70.201 0.452 -4.923 1.00 0.00 H new ATOM 0 HE21 GLN A 54 71.925 -0.286 -6.169 1.00 0.00 H new ATOM 0 HE22 GLN A 54 71.838 -0.539 -7.915 1.00 0.00 H new ATOM 814 N ARG A 55 70.721 -3.413 -5.676 1.00 0.00 N ATOM 815 CA ARG A 55 71.977 -3.857 -6.273 1.00 0.00 C ATOM 816 C ARG A 55 71.778 -4.167 -7.756 1.00 0.00 C ATOM 817 O ARG A 55 70.942 -5.012 -8.078 1.00 0.00 O ATOM 818 CB ARG A 55 72.448 -5.121 -5.551 1.00 0.00 C ATOM 819 CG ARG A 55 73.913 -5.435 -5.892 1.00 0.00 C ATOM 820 CD ARG A 55 74.044 -6.866 -6.419 1.00 0.00 C ATOM 821 NE ARG A 55 73.429 -6.980 -7.738 1.00 0.00 N ATOM 822 CZ ARG A 55 72.771 -8.074 -8.111 1.00 0.00 C ATOM 823 NH1 ARG A 55 73.428 -9.153 -8.440 1.00 0.00 N ATOM 824 NH2 ARG A 55 71.466 -8.087 -8.091 1.00 0.00 N ATOM 0 H ARG A 55 69.959 -4.087 -5.748 1.00 0.00 H new ATOM 0 HA ARG A 55 72.721 -3.067 -6.175 1.00 0.00 H new ATOM 0 HB2 ARG A 55 72.341 -4.990 -4.474 1.00 0.00 H new ATOM 0 HB3 ARG A 55 71.816 -5.963 -5.834 1.00 0.00 H new ATOM 0 HG2 ARG A 55 74.278 -4.731 -6.640 1.00 0.00 H new ATOM 0 HG3 ARG A 55 74.534 -5.309 -5.005 1.00 0.00 H new ATOM 0 HD2 ARG A 55 75.096 -7.145 -6.476 1.00 0.00 H new ATOM 0 HD3 ARG A 55 73.567 -7.560 -5.727 1.00 0.00 H new ATOM 0 HE ARG A 55 73.506 -6.200 -8.391 1.00 0.00 H new ATOM 0 HH11 ARG A 55 74.448 -9.158 -8.411 1.00 0.00 H new ATOM 0 HH12 ARG A 55 72.922 -9.991 -8.726 1.00 0.00 H new ATOM 0 HH21 ARG A 55 70.952 -7.259 -7.790 1.00 0.00 H new ATOM 0 HH22 ARG A 55 70.960 -8.925 -8.377 1.00 0.00 H new ATOM 838 N PRO A 56 72.445 -3.510 -8.675 1.00 0.00 N ATOM 839 CA PRO A 56 72.282 -3.850 -10.117 1.00 0.00 C ATOM 840 C PRO A 56 72.658 -5.303 -10.399 1.00 0.00 C ATOM 841 O PRO A 56 73.714 -5.769 -9.972 1.00 0.00 O ATOM 842 CB PRO A 56 73.205 -2.883 -10.875 1.00 0.00 C ATOM 843 CG PRO A 56 73.811 -1.956 -9.868 1.00 0.00 C ATOM 844 CD PRO A 56 73.513 -2.514 -8.474 1.00 0.00 C ATOM 0 HA PRO A 56 71.243 -3.748 -10.432 1.00 0.00 H new ATOM 0 HB2 PRO A 56 73.982 -3.432 -11.407 1.00 0.00 H new ATOM 0 HB3 PRO A 56 72.643 -2.323 -11.622 1.00 0.00 H new ATOM 0 HG2 PRO A 56 74.887 -1.874 -10.024 1.00 0.00 H new ATOM 0 HG3 PRO A 56 73.396 -0.954 -9.974 1.00 0.00 H new ATOM 0 HD2 PRO A 56 74.400 -2.971 -8.035 1.00 0.00 H new ATOM 0 HD3 PRO A 56 73.192 -1.725 -7.794 1.00 0.00 H new ATOM 852 N SER A 57 71.897 -5.944 -11.281 1.00 0.00 N ATOM 853 CA SER A 57 72.202 -7.311 -11.686 1.00 0.00 C ATOM 854 C SER A 57 73.503 -7.356 -12.481 1.00 0.00 C ATOM 855 O SER A 57 73.979 -8.428 -12.851 1.00 0.00 O ATOM 856 CB SER A 57 71.055 -7.872 -12.529 1.00 0.00 C ATOM 857 OG SER A 57 69.814 -7.511 -11.941 1.00 0.00 O ATOM 0 H SER A 57 71.071 -5.542 -11.725 1.00 0.00 H new ATOM 0 HA SER A 57 72.321 -7.921 -10.791 1.00 0.00 H new ATOM 0 HB2 SER A 57 71.114 -7.485 -13.546 1.00 0.00 H new ATOM 0 HB3 SER A 57 71.136 -8.957 -12.596 1.00 0.00 H new ATOM 0 HG SER A 57 69.079 -7.869 -12.482 1.00 0.00 H new ATOM 863 N GLY A 58 74.058 -6.181 -12.759 1.00 0.00 N ATOM 864 CA GLY A 58 75.326 -6.099 -13.473 1.00 0.00 C ATOM 865 C GLY A 58 76.468 -6.621 -12.609 1.00 0.00 C ATOM 866 O GLY A 58 77.371 -7.294 -13.103 1.00 0.00 O ATOM 0 H GLY A 58 73.654 -5.280 -12.503 1.00 0.00 H new ATOM 0 HA2 GLY A 58 75.268 -6.678 -14.395 1.00 0.00 H new ATOM 0 HA3 GLY A 58 75.522 -5.065 -13.757 1.00 0.00 H new ATOM 870 N VAL A 59 76.510 -6.175 -11.357 1.00 0.00 N ATOM 871 CA VAL A 59 77.603 -6.528 -10.457 1.00 0.00 C ATOM 872 C VAL A 59 77.249 -7.763 -9.630 1.00 0.00 C ATOM 873 O VAL A 59 76.082 -7.956 -9.293 1.00 0.00 O ATOM 874 CB VAL A 59 77.914 -5.351 -9.528 1.00 0.00 C ATOM 875 CG1 VAL A 59 78.400 -4.165 -10.366 1.00 0.00 C ATOM 876 CG2 VAL A 59 76.660 -4.951 -8.745 1.00 0.00 C ATOM 0 H VAL A 59 75.801 -5.569 -10.943 1.00 0.00 H new ATOM 0 HA VAL A 59 78.483 -6.757 -11.058 1.00 0.00 H new ATOM 0 HB VAL A 59 78.689 -5.645 -8.821 1.00 0.00 H new ATOM 0 HG11 VAL A 59 78.623 -3.323 -9.710 1.00 0.00 H new ATOM 0 HG12 VAL A 59 79.300 -4.449 -10.911 1.00 0.00 H new ATOM 0 HG13 VAL A 59 77.623 -3.877 -11.074 1.00 0.00 H new ATOM 0 HG21 VAL A 59 76.893 -4.113 -8.088 1.00 0.00 H new ATOM 0 HG22 VAL A 59 75.874 -4.658 -9.441 1.00 0.00 H new ATOM 0 HG23 VAL A 59 76.319 -5.797 -8.148 1.00 0.00 H new ATOM 886 N PRO A 60 78.200 -8.584 -9.263 1.00 0.00 N ATOM 887 CA PRO A 60 77.908 -9.843 -8.522 1.00 0.00 C ATOM 888 C PRO A 60 77.199 -9.564 -7.199 1.00 0.00 C ATOM 889 O PRO A 60 77.475 -8.559 -6.545 1.00 0.00 O ATOM 890 CB PRO A 60 79.275 -10.502 -8.290 1.00 0.00 C ATOM 891 CG PRO A 60 80.312 -9.610 -8.897 1.00 0.00 C ATOM 892 CD PRO A 60 79.595 -8.548 -9.734 1.00 0.00 C ATOM 0 HA PRO A 60 77.235 -10.490 -9.085 1.00 0.00 H new ATOM 0 HB2 PRO A 60 79.460 -10.636 -7.224 1.00 0.00 H new ATOM 0 HB3 PRO A 60 79.306 -11.492 -8.746 1.00 0.00 H new ATOM 0 HG2 PRO A 60 80.912 -9.139 -8.118 1.00 0.00 H new ATOM 0 HG3 PRO A 60 80.994 -10.189 -9.520 1.00 0.00 H new ATOM 0 HD2 PRO A 60 80.038 -7.563 -9.588 1.00 0.00 H new ATOM 0 HD3 PRO A 60 79.660 -8.772 -10.799 1.00 0.00 H new ATOM 900 N ASP A 61 76.214 -10.391 -6.866 1.00 0.00 N ATOM 901 CA ASP A 61 75.481 -10.237 -5.614 1.00 0.00 C ATOM 902 C ASP A 61 76.391 -10.373 -4.396 1.00 0.00 C ATOM 903 O ASP A 61 75.912 -10.448 -3.265 1.00 0.00 O ATOM 904 CB ASP A 61 74.321 -11.231 -5.537 1.00 0.00 C ATOM 905 CG ASP A 61 74.854 -12.644 -5.330 1.00 0.00 C ATOM 906 OD1 ASP A 61 75.132 -13.299 -6.320 1.00 0.00 O ATOM 907 OD2 ASP A 61 74.940 -13.056 -4.185 1.00 0.00 O ATOM 0 H ASP A 61 75.905 -11.173 -7.444 1.00 0.00 H new ATOM 0 HA ASP A 61 75.074 -9.226 -5.602 1.00 0.00 H new ATOM 0 HB2 ASP A 61 73.655 -10.962 -4.717 1.00 0.00 H new ATOM 0 HB3 ASP A 61 73.733 -11.187 -6.453 1.00 0.00 H new ATOM 912 N ARG A 62 77.677 -10.606 -4.640 1.00 0.00 N ATOM 913 CA ARG A 62 78.620 -10.847 -3.555 1.00 0.00 C ATOM 914 C ARG A 62 78.615 -9.699 -2.551 1.00 0.00 C ATOM 915 O ARG A 62 78.811 -9.907 -1.354 1.00 0.00 O ATOM 916 CB ARG A 62 80.026 -11.029 -4.130 1.00 0.00 C ATOM 917 CG ARG A 62 80.580 -9.693 -4.630 1.00 0.00 C ATOM 918 CD ARG A 62 81.859 -9.951 -5.427 1.00 0.00 C ATOM 919 NE ARG A 62 82.506 -8.691 -5.775 1.00 0.00 N ATOM 920 CZ ARG A 62 83.422 -8.139 -4.986 1.00 0.00 C ATOM 921 NH1 ARG A 62 83.630 -8.610 -3.787 1.00 0.00 N ATOM 922 NH2 ARG A 62 84.193 -7.199 -5.458 1.00 0.00 N ATOM 0 H ARG A 62 78.087 -10.633 -5.573 1.00 0.00 H new ATOM 0 HA ARG A 62 78.315 -11.753 -3.031 1.00 0.00 H new ATOM 0 HB2 ARG A 62 80.687 -11.440 -3.367 1.00 0.00 H new ATOM 0 HB3 ARG A 62 80.000 -11.748 -4.949 1.00 0.00 H new ATOM 0 HG2 ARG A 62 79.842 -9.190 -5.255 1.00 0.00 H new ATOM 0 HG3 ARG A 62 80.788 -9.033 -3.788 1.00 0.00 H new ATOM 0 HD2 ARG A 62 82.541 -10.568 -4.842 1.00 0.00 H new ATOM 0 HD3 ARG A 62 81.624 -10.508 -6.334 1.00 0.00 H new ATOM 0 HE ARG A 62 82.250 -8.223 -6.644 1.00 0.00 H new ATOM 0 HH11 ARG A 62 83.088 -9.406 -3.451 1.00 0.00 H new ATOM 0 HH12 ARG A 62 84.334 -8.182 -3.186 1.00 0.00 H new ATOM 0 HH21 ARG A 62 84.090 -6.893 -6.426 1.00 0.00 H new ATOM 0 HH22 ARG A 62 84.899 -6.770 -4.860 1.00 0.00 H new ATOM 936 N PHE A 63 78.361 -8.491 -3.041 1.00 0.00 N ATOM 937 CA PHE A 63 78.315 -7.325 -2.167 1.00 0.00 C ATOM 938 C PHE A 63 77.054 -7.361 -1.313 1.00 0.00 C ATOM 939 O PHE A 63 75.976 -7.695 -1.803 1.00 0.00 O ATOM 940 CB PHE A 63 78.314 -6.047 -3.007 1.00 0.00 C ATOM 941 CG PHE A 63 79.478 -6.084 -3.967 1.00 0.00 C ATOM 942 CD1 PHE A 63 80.747 -5.681 -3.535 1.00 0.00 C ATOM 943 CD2 PHE A 63 79.261 -6.383 -5.317 1.00 0.00 C ATOM 944 CE1 PHE A 63 81.820 -5.670 -4.435 1.00 0.00 C ATOM 945 CE2 PHE A 63 80.330 -6.360 -6.219 1.00 0.00 C ATOM 946 CZ PHE A 63 81.612 -6.016 -5.776 1.00 0.00 C ATOM 0 H PHE A 63 78.186 -8.294 -4.026 1.00 0.00 H new ATOM 0 HA PHE A 63 79.192 -7.338 -1.520 1.00 0.00 H new ATOM 0 HB2 PHE A 63 77.377 -5.959 -3.556 1.00 0.00 H new ATOM 0 HB3 PHE A 63 78.388 -5.172 -2.361 1.00 0.00 H new ATOM 0 HD1 PHE A 63 80.898 -5.379 -2.509 1.00 0.00 H new ATOM 0 HD2 PHE A 63 78.268 -6.631 -5.662 1.00 0.00 H new ATOM 0 HE1 PHE A 63 82.807 -5.395 -4.095 1.00 0.00 H new ATOM 0 HE2 PHE A 63 80.166 -6.608 -7.257 1.00 0.00 H new ATOM 0 HZ PHE A 63 82.441 -6.017 -6.468 1.00 0.00 H new ATOM 956 N SER A 64 77.184 -6.963 -0.052 1.00 0.00 N ATOM 957 CA SER A 64 76.031 -6.926 0.843 1.00 0.00 C ATOM 958 C SER A 64 75.915 -5.567 1.515 1.00 0.00 C ATOM 959 O SER A 64 76.617 -5.286 2.478 1.00 0.00 O ATOM 960 CB SER A 64 76.142 -8.037 1.888 1.00 0.00 C ATOM 961 OG SER A 64 74.862 -8.350 2.416 1.00 0.00 O ATOM 0 H SER A 64 78.063 -6.665 0.370 1.00 0.00 H new ATOM 0 HA SER A 64 75.128 -7.089 0.255 1.00 0.00 H new ATOM 0 HB2 SER A 64 76.584 -8.926 1.437 1.00 0.00 H new ATOM 0 HB3 SER A 64 76.807 -7.723 2.692 1.00 0.00 H new ATOM 0 HG SER A 64 74.948 -9.064 3.082 1.00 0.00 H new ATOM 967 N GLY A 65 74.756 -4.966 1.300 1.00 0.00 N ATOM 968 CA GLY A 65 74.430 -3.661 1.853 1.00 0.00 C ATOM 969 C GLY A 65 73.477 -3.807 3.034 1.00 0.00 C ATOM 970 O GLY A 65 72.447 -4.472 2.926 1.00 0.00 O ATOM 0 H GLY A 65 74.011 -5.372 0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 65 75.342 -3.157 2.173 1.00 0.00 H new ATOM 0 HA3 GLY A 65 73.974 -3.037 1.084 1.00 0.00 H new ATOM 974 N SER A 66 73.867 -3.273 4.189 1.00 0.00 N ATOM 975 CA SER A 66 73.042 -3.406 5.383 1.00 0.00 C ATOM 976 C SER A 66 73.305 -2.271 6.367 1.00 0.00 C ATOM 977 O SER A 66 74.354 -1.626 6.338 1.00 0.00 O ATOM 978 CB SER A 66 73.335 -4.744 6.063 1.00 0.00 C ATOM 979 OG SER A 66 74.486 -4.614 6.885 1.00 0.00 O ATOM 0 H SER A 66 74.734 -2.753 4.322 1.00 0.00 H new ATOM 0 HA SER A 66 71.996 -3.362 5.079 1.00 0.00 H new ATOM 0 HB2 SER A 66 72.480 -5.055 6.663 1.00 0.00 H new ATOM 0 HB3 SER A 66 73.496 -5.518 5.313 1.00 0.00 H new ATOM 0 HG SER A 66 75.175 -4.109 6.405 1.00 0.00 H new ATOM 985 N ILE A 67 72.330 -2.040 7.239 1.00 0.00 N ATOM 986 CA ILE A 67 72.393 -0.948 8.202 1.00 0.00 C ATOM 987 C ILE A 67 71.770 -1.365 9.528 1.00 0.00 C ATOM 988 O ILE A 67 71.218 -2.459 9.643 1.00 0.00 O ATOM 989 CB ILE A 67 71.630 0.263 7.659 1.00 0.00 C ATOM 990 CG1 ILE A 67 70.177 -0.130 7.349 1.00 0.00 C ATOM 991 CG2 ILE A 67 72.339 0.770 6.398 1.00 0.00 C ATOM 992 CD1 ILE A 67 69.234 0.281 8.485 1.00 0.00 C ATOM 0 H ILE A 67 71.480 -2.600 7.298 1.00 0.00 H new ATOM 0 HA ILE A 67 73.440 -0.692 8.362 1.00 0.00 H new ATOM 0 HB ILE A 67 71.613 1.059 8.403 1.00 0.00 H new ATOM 0 HG12 ILE A 67 69.860 0.345 6.421 1.00 0.00 H new ATOM 0 HG13 ILE A 67 70.115 -1.207 7.194 1.00 0.00 H new ATOM 0 HG21 ILE A 67 71.804 1.633 6.002 1.00 0.00 H new ATOM 0 HG22 ILE A 67 73.360 1.059 6.646 1.00 0.00 H new ATOM 0 HG23 ILE A 67 72.357 -0.021 5.648 1.00 0.00 H new ATOM 0 HD11 ILE A 67 68.214 -0.011 8.235 1.00 0.00 H new ATOM 0 HD12 ILE A 67 69.538 -0.215 9.407 1.00 0.00 H new ATOM 0 HD13 ILE A 67 69.279 1.361 8.622 1.00 0.00 H new ATOM 1004 N ASP A 68 72.178 -0.657 10.576 1.00 0.00 N ATOM 1005 CA ASP A 68 71.645 -0.881 11.917 1.00 0.00 C ATOM 1006 C ASP A 68 70.672 0.220 12.332 1.00 0.00 C ATOM 1007 O ASP A 68 70.945 1.403 12.126 1.00 0.00 O ATOM 1008 CB ASP A 68 72.816 -0.985 12.894 1.00 0.00 C ATOM 1009 CG ASP A 68 73.831 -1.975 12.330 1.00 0.00 C ATOM 1010 OD1 ASP A 68 73.539 -2.579 11.310 1.00 0.00 O ATOM 1011 OD2 ASP A 68 74.903 -2.085 12.901 1.00 0.00 O ATOM 0 H ASP A 68 72.880 0.081 10.523 1.00 0.00 H new ATOM 0 HA ASP A 68 71.076 -1.811 11.925 1.00 0.00 H new ATOM 0 HB2 ASP A 68 73.278 -0.008 13.036 1.00 0.00 H new ATOM 0 HB3 ASP A 68 72.466 -1.317 13.871 1.00 0.00 H new ATOM 1016 N SER A 69 69.626 -0.157 13.063 1.00 0.00 N ATOM 1017 CA SER A 69 68.687 0.825 13.596 1.00 0.00 C ATOM 1018 C SER A 69 69.365 1.683 14.663 1.00 0.00 C ATOM 1019 O SER A 69 68.744 2.566 15.254 1.00 0.00 O ATOM 1020 CB SER A 69 67.464 0.109 14.182 1.00 0.00 C ATOM 1021 OG SER A 69 67.201 -1.072 13.436 1.00 0.00 O ATOM 0 H SER A 69 69.409 -1.126 13.298 1.00 0.00 H new ATOM 0 HA SER A 69 68.360 1.479 12.787 1.00 0.00 H new ATOM 0 HB2 SER A 69 67.643 -0.141 15.228 1.00 0.00 H new ATOM 0 HB3 SER A 69 66.597 0.769 14.156 1.00 0.00 H new ATOM 0 HG SER A 69 66.420 -1.530 13.812 1.00 0.00 H new ATOM 1027 N SER A 70 70.640 1.398 14.912 1.00 0.00 N ATOM 1028 CA SER A 70 71.406 2.136 15.910 1.00 0.00 C ATOM 1029 C SER A 70 71.688 3.555 15.428 1.00 0.00 C ATOM 1030 O SER A 70 71.716 4.497 16.220 1.00 0.00 O ATOM 1031 CB SER A 70 72.728 1.414 16.183 1.00 0.00 C ATOM 1032 OG SER A 70 72.485 0.271 16.991 1.00 0.00 O ATOM 0 H SER A 70 71.163 0.662 14.437 1.00 0.00 H new ATOM 0 HA SER A 70 70.821 2.189 16.828 1.00 0.00 H new ATOM 0 HB2 SER A 70 73.193 1.116 15.243 1.00 0.00 H new ATOM 0 HB3 SER A 70 73.425 2.086 16.684 1.00 0.00 H new ATOM 0 HG SER A 70 73.331 -0.193 17.165 1.00 0.00 H new ATOM 1038 N SER A 71 72.014 3.673 14.146 1.00 0.00 N ATOM 1039 CA SER A 71 72.372 4.960 13.561 1.00 0.00 C ATOM 1040 C SER A 71 73.813 5.321 13.911 1.00 0.00 C ATOM 1041 O SER A 71 74.126 6.481 14.178 1.00 0.00 O ATOM 1042 CB SER A 71 71.411 6.055 14.035 1.00 0.00 C ATOM 1043 OG SER A 71 70.122 5.492 14.227 1.00 0.00 O ATOM 0 H SER A 71 72.038 2.892 13.491 1.00 0.00 H new ATOM 0 HA SER A 71 72.290 4.881 12.477 1.00 0.00 H new ATOM 0 HB2 SER A 71 71.771 6.495 14.965 1.00 0.00 H new ATOM 0 HB3 SER A 71 71.365 6.858 13.300 1.00 0.00 H new ATOM 0 HG SER A 71 69.503 6.188 14.532 1.00 0.00 H new ATOM 1049 N ASN A 72 74.638 4.292 14.086 1.00 0.00 N ATOM 1050 CA ASN A 72 76.023 4.471 14.508 1.00 0.00 C ATOM 1051 C ASN A 72 76.962 4.408 13.307 1.00 0.00 C ATOM 1052 O ASN A 72 77.936 5.157 13.229 1.00 0.00 O ATOM 1053 CB ASN A 72 76.401 3.386 15.519 1.00 0.00 C ATOM 1054 CG ASN A 72 77.674 3.780 16.261 1.00 0.00 C ATOM 1055 OD1 ASN A 72 78.483 4.548 15.739 1.00 0.00 O ATOM 1056 ND2 ASN A 72 77.873 3.342 17.474 1.00 0.00 N ATOM 0 H ASN A 72 74.368 3.319 13.941 1.00 0.00 H new ATOM 0 HA ASN A 72 76.121 5.451 14.975 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.587 3.241 16.229 1.00 0.00 H new ATOM 0 HB3 ASN A 72 76.549 2.436 15.006 1.00 0.00 H new ATOM 0 HD21 ASN A 72 78.701 3.636 17.993 1.00 0.00 H new ATOM 0 HD22 ASN A 72 77.201 2.706 17.903 1.00 0.00 H new ATOM 1063 N SER A 73 76.675 3.497 12.383 1.00 0.00 N ATOM 1064 CA SER A 73 77.508 3.389 11.189 1.00 0.00 C ATOM 1065 C SER A 73 76.840 2.506 10.137 1.00 0.00 C ATOM 1066 O SER A 73 76.108 1.586 10.496 1.00 0.00 O ATOM 1067 CB SER A 73 78.878 2.817 11.559 1.00 0.00 C ATOM 1068 OG SER A 73 78.724 1.478 12.003 1.00 0.00 O ATOM 0 H SER A 73 75.896 2.840 12.432 1.00 0.00 H new ATOM 0 HA SER A 73 77.636 4.386 10.768 1.00 0.00 H new ATOM 0 HB2 SER A 73 79.544 2.852 10.697 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.338 3.421 12.341 1.00 0.00 H new ATOM 0 HG SER A 73 79.601 1.109 12.239 1.00 0.00 H new ATOM 1074 N ALA A 74 77.390 2.499 8.926 1.00 0.00 N ATOM 1075 CA ALA A 74 76.829 1.692 7.844 1.00 0.00 C ATOM 1076 C ALA A 74 77.752 0.512 7.553 1.00 0.00 C ATOM 1077 O ALA A 74 78.972 0.670 7.503 1.00 0.00 O ATOM 1078 CB ALA A 74 76.676 2.545 6.581 1.00 0.00 C ATOM 0 H ALA A 74 78.217 3.038 8.669 1.00 0.00 H new ATOM 0 HA ALA A 74 75.850 1.322 8.147 1.00 0.00 H new ATOM 0 HB1 ALA A 74 76.257 1.936 5.779 1.00 0.00 H new ATOM 0 HB2 ALA A 74 76.010 3.383 6.786 1.00 0.00 H new ATOM 0 HB3 ALA A 74 77.652 2.924 6.277 1.00 0.00 H new ATOM 1084 N SER A 75 77.166 -0.684 7.498 1.00 0.00 N ATOM 1085 CA SER A 75 77.949 -1.922 7.419 1.00 0.00 C ATOM 1086 C SER A 75 77.490 -2.852 6.298 1.00 0.00 C ATOM 1087 O SER A 75 76.296 -2.860 6.003 1.00 0.00 O ATOM 1088 CB SER A 75 77.819 -2.712 8.720 1.00 0.00 C ATOM 1089 OG SER A 75 78.036 -1.850 9.826 1.00 0.00 O ATOM 0 H SER A 75 76.156 -0.824 7.507 1.00 0.00 H new ATOM 0 HA SER A 75 78.975 -1.607 7.228 1.00 0.00 H new ATOM 0 HB2 SER A 75 76.828 -3.162 8.786 1.00 0.00 H new ATOM 0 HB3 SER A 75 78.542 -3.528 8.735 1.00 0.00 H new ATOM 0 HG SER A 75 77.950 -2.359 10.659 1.00 0.00 H new ATOM 1095 N LEU A 76 78.385 -3.032 5.334 1.00 0.00 N ATOM 1096 CA LEU A 76 78.281 -4.063 4.302 1.00 0.00 C ATOM 1097 C LEU A 76 79.080 -5.345 4.546 1.00 0.00 C ATOM 1098 O LEU A 76 80.278 -5.254 4.802 1.00 0.00 O ATOM 1099 CB LEU A 76 78.543 -3.396 2.950 1.00 0.00 C ATOM 1100 CG LEU A 76 79.102 -4.383 1.916 1.00 0.00 C ATOM 1101 CD1 LEU A 76 78.671 -3.942 0.514 1.00 0.00 C ATOM 1102 CD2 LEU A 76 80.634 -4.406 1.997 1.00 0.00 C ATOM 0 H LEU A 76 79.221 -2.455 5.244 1.00 0.00 H new ATOM 0 HA LEU A 76 77.268 -4.465 4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 76 77.615 -2.965 2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 76 79.246 -2.574 3.082 1.00 0.00 H new ATOM 0 HG LEU A 76 78.717 -5.382 2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 76 79.066 -4.640 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 76 77.583 -3.929 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 76 79.058 -2.943 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 76 81.027 -5.108 1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 76 81.024 -3.409 1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 76 80.941 -4.717 2.995 1.00 0.00 H new ATOM 1114 N THR A 77 78.516 -6.509 4.217 1.00 0.00 N ATOM 1115 CA THR A 77 79.309 -7.732 4.065 1.00 0.00 C ATOM 1116 C THR A 77 79.622 -8.080 2.607 1.00 0.00 C ATOM 1117 O THR A 77 78.732 -8.384 1.817 1.00 0.00 O ATOM 1118 CB THR A 77 78.541 -8.885 4.714 1.00 0.00 C ATOM 1119 OG1 THR A 77 78.312 -8.591 6.084 1.00 0.00 O ATOM 1120 CG2 THR A 77 79.342 -10.183 4.593 1.00 0.00 C ATOM 0 H THR A 77 77.517 -6.631 4.051 1.00 0.00 H new ATOM 0 HA THR A 77 80.270 -7.564 4.551 1.00 0.00 H new ATOM 0 HB THR A 77 77.586 -9.009 4.204 1.00 0.00 H new ATOM 0 HG1 THR A 77 77.819 -9.329 6.499 1.00 0.00 H new ATOM 0 HG21 THR A 77 78.787 -10.998 5.058 1.00 0.00 H new ATOM 0 HG22 THR A 77 79.508 -10.411 3.540 1.00 0.00 H new ATOM 0 HG23 THR A 77 80.303 -10.066 5.095 1.00 0.00 H new ATOM 1128 N ILE A 78 80.900 -8.305 2.310 1.00 0.00 N ATOM 1129 CA ILE A 78 81.338 -8.768 0.991 1.00 0.00 C ATOM 1130 C ILE A 78 81.723 -10.245 1.055 1.00 0.00 C ATOM 1131 O ILE A 78 82.730 -10.616 1.659 1.00 0.00 O ATOM 1132 CB ILE A 78 82.502 -7.890 0.502 1.00 0.00 C ATOM 1133 CG1 ILE A 78 82.007 -6.807 -0.466 1.00 0.00 C ATOM 1134 CG2 ILE A 78 83.608 -8.683 -0.205 1.00 0.00 C ATOM 1135 CD1 ILE A 78 82.974 -5.621 -0.448 1.00 0.00 C ATOM 0 H ILE A 78 81.662 -8.172 2.975 1.00 0.00 H new ATOM 0 HA ILE A 78 80.522 -8.676 0.274 1.00 0.00 H new ATOM 0 HB ILE A 78 82.920 -7.444 1.405 1.00 0.00 H new ATOM 0 HG12 ILE A 78 81.933 -7.213 -1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 78 81.008 -6.479 -0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 78 84.397 -8.002 -0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 78 84.022 -9.422 0.481 1.00 0.00 H new ATOM 0 HG23 ILE A 78 83.192 -9.190 -1.076 1.00 0.00 H new ATOM 0 HD11 ILE A 78 82.621 -4.853 -1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 78 83.026 -5.209 0.560 1.00 0.00 H new ATOM 0 HD13 ILE A 78 83.965 -5.955 -0.755 1.00 0.00 H new ATOM 1147 N SER A 79 80.874 -11.092 0.479 1.00 0.00 N ATOM 1148 CA SER A 79 81.131 -12.529 0.429 1.00 0.00 C ATOM 1149 C SER A 79 81.953 -12.896 -0.804 1.00 0.00 C ATOM 1150 O SER A 79 82.215 -12.051 -1.660 1.00 0.00 O ATOM 1151 CB SER A 79 79.795 -13.281 0.411 1.00 0.00 C ATOM 1152 OG SER A 79 79.523 -13.751 -0.903 1.00 0.00 O ATOM 0 H SER A 79 79.999 -10.807 0.039 1.00 0.00 H new ATOM 0 HA SER A 79 81.703 -12.813 1.312 1.00 0.00 H new ATOM 0 HB2 SER A 79 79.830 -14.119 1.107 1.00 0.00 H new ATOM 0 HB3 SER A 79 78.993 -12.623 0.745 1.00 0.00 H new ATOM 0 HG SER A 79 78.669 -14.232 -0.908 1.00 0.00 H new ATOM 1158 N GLY A 80 82.405 -14.146 -0.856 1.00 0.00 N ATOM 1159 CA GLY A 80 83.151 -14.640 -2.008 1.00 0.00 C ATOM 1160 C GLY A 80 84.164 -13.610 -2.496 1.00 0.00 C ATOM 1161 O GLY A 80 84.052 -13.098 -3.610 1.00 0.00 O ATOM 0 H GLY A 80 82.268 -14.834 -0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 80 83.667 -15.562 -1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 80 82.459 -14.883 -2.815 1.00 0.00 H new ATOM 1165 N LEU A 81 85.049 -13.190 -1.597 1.00 0.00 N ATOM 1166 CA LEU A 81 86.074 -12.209 -1.936 1.00 0.00 C ATOM 1167 C LEU A 81 87.227 -12.875 -2.678 1.00 0.00 C ATOM 1168 O LEU A 81 87.771 -13.884 -2.232 1.00 0.00 O ATOM 1169 CB LEU A 81 86.574 -11.516 -0.664 1.00 0.00 C ATOM 1170 CG LEU A 81 87.847 -10.694 -0.934 1.00 0.00 C ATOM 1171 CD1 LEU A 81 87.762 -9.341 -0.227 1.00 0.00 C ATOM 1172 CD2 LEU A 81 89.094 -11.425 -0.425 1.00 0.00 C ATOM 0 H LEU A 81 85.077 -13.513 -0.630 1.00 0.00 H new ATOM 0 HA LEU A 81 85.639 -11.457 -2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 81 85.794 -10.863 -0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 81 86.778 -12.263 0.103 1.00 0.00 H new ATOM 0 HG LEU A 81 87.924 -10.554 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 81 88.668 -8.769 -0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 81 86.897 -8.791 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 81 87.660 -9.497 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 81 89.978 -10.821 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 81 89.007 -11.589 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 81 89.185 -12.385 -0.932 1.00 0.00 H new ATOM 1184 N LYS A 82 87.687 -12.211 -3.733 1.00 0.00 N ATOM 1185 CA LYS A 82 88.831 -12.695 -4.497 1.00 0.00 C ATOM 1186 C LYS A 82 89.656 -11.525 -5.016 1.00 0.00 C ATOM 1187 O LYS A 82 89.280 -10.364 -4.862 1.00 0.00 O ATOM 1188 CB LYS A 82 88.340 -13.567 -5.661 1.00 0.00 C ATOM 1189 CG LYS A 82 88.556 -15.043 -5.319 1.00 0.00 C ATOM 1190 CD LYS A 82 87.923 -15.954 -6.373 1.00 0.00 C ATOM 1191 CE LYS A 82 88.047 -17.414 -5.926 1.00 0.00 C ATOM 1192 NZ LYS A 82 87.007 -17.712 -4.902 1.00 0.00 N ATOM 0 H LYS A 82 87.287 -11.339 -4.078 1.00 0.00 H new ATOM 0 HA LYS A 82 89.467 -13.296 -3.847 1.00 0.00 H new ATOM 0 HB2 LYS A 82 87.284 -13.378 -5.851 1.00 0.00 H new ATOM 0 HB3 LYS A 82 88.879 -13.311 -6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 82 89.624 -15.250 -5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 82 88.125 -15.259 -4.341 1.00 0.00 H new ATOM 0 HD2 LYS A 82 86.874 -15.693 -6.512 1.00 0.00 H new ATOM 0 HD3 LYS A 82 88.417 -15.814 -7.335 1.00 0.00 H new ATOM 0 HE2 LYS A 82 87.930 -18.078 -6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 82 89.040 -17.596 -5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 86.991 -18.734 -4.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 87.227 -17.199 -4.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 86.076 -17.411 -5.255 1.00 0.00 H new ATOM 1206 N THR A 83 90.684 -11.864 -5.786 1.00 0.00 N ATOM 1207 CA THR A 83 91.455 -10.851 -6.494 1.00 0.00 C ATOM 1208 C THR A 83 90.506 -9.887 -7.195 1.00 0.00 C ATOM 1209 O THR A 83 90.916 -8.828 -7.669 1.00 0.00 O ATOM 1210 CB THR A 83 92.406 -11.506 -7.497 1.00 0.00 C ATOM 1211 OG1 THR A 83 93.347 -10.541 -7.947 1.00 0.00 O ATOM 1212 CG2 THR A 83 91.630 -12.057 -8.695 1.00 0.00 C ATOM 0 H THR A 83 91.000 -12.822 -5.935 1.00 0.00 H new ATOM 0 HA THR A 83 92.058 -10.293 -5.778 1.00 0.00 H new ATOM 0 HB THR A 83 92.922 -12.332 -7.007 1.00 0.00 H new ATOM 0 HG1 THR A 83 93.507 -9.884 -7.237 1.00 0.00 H new ATOM 0 HG21 THR A 83 92.324 -12.519 -9.397 1.00 0.00 H new ATOM 0 HG22 THR A 83 90.912 -12.802 -8.352 1.00 0.00 H new ATOM 0 HG23 THR A 83 91.100 -11.243 -9.191 1.00 0.00 H new ATOM 1220 N GLU A 84 89.266 -10.331 -7.375 1.00 0.00 N ATOM 1221 CA GLU A 84 88.275 -9.487 -8.032 1.00 0.00 C ATOM 1222 C GLU A 84 87.879 -8.308 -7.147 1.00 0.00 C ATOM 1223 O GLU A 84 87.730 -7.186 -7.631 1.00 0.00 O ATOM 1224 CB GLU A 84 87.036 -10.312 -8.385 1.00 0.00 C ATOM 1225 CG GLU A 84 86.063 -9.456 -9.198 1.00 0.00 C ATOM 1226 CD GLU A 84 84.902 -10.319 -9.681 1.00 0.00 C ATOM 1227 OE1 GLU A 84 84.744 -11.408 -9.155 1.00 0.00 O ATOM 1228 OE2 GLU A 84 84.167 -9.866 -10.543 1.00 0.00 O ATOM 0 H GLU A 84 88.929 -11.248 -7.083 1.00 0.00 H new ATOM 0 HA GLU A 84 88.720 -9.092 -8.945 1.00 0.00 H new ATOM 0 HB2 GLU A 84 87.325 -11.194 -8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 84 86.551 -10.666 -7.475 1.00 0.00 H new ATOM 0 HG2 GLU A 84 85.689 -8.634 -8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 84 86.578 -9.012 -10.050 1.00 0.00 H new ATOM 1235 N ASP A 85 87.704 -8.567 -5.855 1.00 0.00 N ATOM 1236 CA ASP A 85 87.343 -7.507 -4.919 1.00 0.00 C ATOM 1237 C ASP A 85 88.548 -6.614 -4.637 1.00 0.00 C ATOM 1238 O ASP A 85 88.460 -5.656 -3.868 1.00 0.00 O ATOM 1239 CB ASP A 85 86.828 -8.123 -3.616 1.00 0.00 C ATOM 1240 CG ASP A 85 86.061 -7.082 -2.807 1.00 0.00 C ATOM 1241 OD1 ASP A 85 84.989 -6.693 -3.236 1.00 0.00 O ATOM 1242 OD2 ASP A 85 86.554 -6.689 -1.764 1.00 0.00 O ATOM 0 H ASP A 85 87.805 -9.491 -5.435 1.00 0.00 H new ATOM 0 HA ASP A 85 86.556 -6.896 -5.362 1.00 0.00 H new ATOM 0 HB2 ASP A 85 86.180 -8.971 -3.838 1.00 0.00 H new ATOM 0 HB3 ASP A 85 87.664 -8.505 -3.031 1.00 0.00 H new ATOM 1247 N GLU A 86 89.694 -6.979 -5.203 1.00 0.00 N ATOM 1248 CA GLU A 86 90.903 -6.181 -5.039 1.00 0.00 C ATOM 1249 C GLU A 86 90.780 -4.855 -5.780 1.00 0.00 C ATOM 1250 O GLU A 86 90.597 -4.825 -6.997 1.00 0.00 O ATOM 1251 CB GLU A 86 92.102 -6.961 -5.578 1.00 0.00 C ATOM 1252 CG GLU A 86 93.393 -6.240 -5.187 1.00 0.00 C ATOM 1253 CD GLU A 86 94.600 -7.093 -5.565 1.00 0.00 C ATOM 1254 OE1 GLU A 86 94.426 -8.026 -6.331 1.00 0.00 O ATOM 1255 OE2 GLU A 86 95.686 -6.792 -5.096 1.00 0.00 O ATOM 0 H GLU A 86 89.811 -7.816 -5.775 1.00 0.00 H new ATOM 0 HA GLU A 86 91.043 -5.972 -3.978 1.00 0.00 H new ATOM 0 HB2 GLU A 86 92.102 -7.974 -5.176 1.00 0.00 H new ATOM 0 HB3 GLU A 86 92.035 -7.049 -6.662 1.00 0.00 H new ATOM 0 HG2 GLU A 86 93.447 -5.275 -5.690 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.398 -6.041 -4.115 1.00 0.00 H new ATOM 1262 N ALA A 87 90.963 -3.760 -5.050 1.00 0.00 N ATOM 1263 CA ALA A 87 90.924 -2.430 -5.648 1.00 0.00 C ATOM 1264 C ALA A 87 90.686 -1.382 -4.564 1.00 0.00 C ATOM 1265 O ALA A 87 90.653 -1.695 -3.374 1.00 0.00 O ATOM 1266 CB ALA A 87 89.829 -2.346 -6.718 1.00 0.00 C ATOM 0 H ALA A 87 91.139 -3.767 -4.045 1.00 0.00 H new ATOM 0 HA ALA A 87 91.883 -2.236 -6.128 1.00 0.00 H new ATOM 0 HB1 ALA A 87 89.818 -1.345 -7.150 1.00 0.00 H new ATOM 0 HB2 ALA A 87 90.029 -3.077 -7.501 1.00 0.00 H new ATOM 0 HB3 ALA A 87 88.860 -2.556 -6.264 1.00 0.00 H new ATOM 1272 N ASP A 88 90.529 -0.133 -4.989 1.00 0.00 N ATOM 1273 CA ASP A 88 90.185 0.942 -4.066 1.00 0.00 C ATOM 1274 C ASP A 88 88.671 1.056 -3.930 1.00 0.00 C ATOM 1275 O ASP A 88 87.954 1.108 -4.929 1.00 0.00 O ATOM 1276 CB ASP A 88 90.758 2.265 -4.578 1.00 0.00 C ATOM 1277 CG ASP A 88 92.282 2.215 -4.547 1.00 0.00 C ATOM 1278 OD1 ASP A 88 92.813 1.259 -4.005 1.00 0.00 O ATOM 1279 OD2 ASP A 88 92.896 3.139 -5.054 1.00 0.00 O ATOM 0 H ASP A 88 90.634 0.159 -5.961 1.00 0.00 H new ATOM 0 HA ASP A 88 90.611 0.717 -3.088 1.00 0.00 H new ATOM 0 HB2 ASP A 88 90.412 2.453 -5.594 1.00 0.00 H new ATOM 0 HB3 ASP A 88 90.400 3.090 -3.962 1.00 0.00 H new ATOM 1284 N TYR A 89 88.199 1.201 -2.697 1.00 0.00 N ATOM 1285 CA TYR A 89 86.768 1.323 -2.436 1.00 0.00 C ATOM 1286 C TYR A 89 86.454 2.710 -1.884 1.00 0.00 C ATOM 1287 O TYR A 89 87.119 3.187 -0.964 1.00 0.00 O ATOM 1288 CB TYR A 89 86.336 0.255 -1.427 1.00 0.00 C ATOM 1289 CG TYR A 89 86.323 -1.103 -2.091 1.00 0.00 C ATOM 1290 CD1 TYR A 89 87.515 -1.663 -2.569 1.00 0.00 C ATOM 1291 CD2 TYR A 89 85.114 -1.791 -2.256 1.00 0.00 C ATOM 1292 CE1 TYR A 89 87.497 -2.908 -3.211 1.00 0.00 C ATOM 1293 CE2 TYR A 89 85.096 -3.032 -2.904 1.00 0.00 C ATOM 1294 CZ TYR A 89 86.286 -3.590 -3.382 1.00 0.00 C ATOM 1295 OH TYR A 89 86.263 -4.792 -4.058 1.00 0.00 O ATOM 0 H TYR A 89 88.785 1.237 -1.863 1.00 0.00 H new ATOM 0 HA TYR A 89 86.222 1.181 -3.369 1.00 0.00 H new ATOM 0 HB2 TYR A 89 87.018 0.248 -0.577 1.00 0.00 H new ATOM 0 HB3 TYR A 89 85.345 0.489 -1.038 1.00 0.00 H new ATOM 0 HD1 TYR A 89 88.448 -1.135 -2.442 1.00 0.00 H new ATOM 0 HD2 TYR A 89 84.195 -1.364 -1.883 1.00 0.00 H new ATOM 0 HE1 TYR A 89 88.417 -3.342 -3.574 1.00 0.00 H new ATOM 0 HE2 TYR A 89 84.162 -3.559 -3.035 1.00 0.00 H new ATOM 0 HH TYR A 89 85.378 -5.203 -3.964 1.00 0.00 H new ATOM 1305 N TYR A 90 85.339 3.276 -2.337 1.00 0.00 N ATOM 1306 CA TYR A 90 84.903 4.600 -1.903 1.00 0.00 C ATOM 1307 C TYR A 90 83.441 4.521 -1.464 1.00 0.00 C ATOM 1308 O TYR A 90 82.687 3.700 -1.987 1.00 0.00 O ATOM 1309 CB TYR A 90 85.073 5.598 -3.054 1.00 0.00 C ATOM 1310 CG TYR A 90 86.405 5.383 -3.739 1.00 0.00 C ATOM 1311 CD1 TYR A 90 86.576 4.300 -4.611 1.00 0.00 C ATOM 1312 CD2 TYR A 90 87.427 6.332 -3.607 1.00 0.00 C ATOM 1313 CE1 TYR A 90 87.800 4.110 -5.265 1.00 0.00 C ATOM 1314 CE2 TYR A 90 88.652 6.141 -4.258 1.00 0.00 C ATOM 1315 CZ TYR A 90 88.839 5.030 -5.088 1.00 0.00 C ATOM 1316 OH TYR A 90 90.045 4.840 -5.731 1.00 0.00 O ATOM 0 H TYR A 90 84.715 2.833 -3.012 1.00 0.00 H new ATOM 0 HA TYR A 90 85.507 4.940 -1.062 1.00 0.00 H new ATOM 0 HB2 TYR A 90 84.262 5.477 -3.773 1.00 0.00 H new ATOM 0 HB3 TYR A 90 85.012 6.617 -2.673 1.00 0.00 H new ATOM 0 HD1 TYR A 90 85.762 3.610 -4.779 1.00 0.00 H new ATOM 0 HD2 TYR A 90 87.270 7.213 -3.002 1.00 0.00 H new ATOM 0 HE1 TYR A 90 87.942 3.253 -5.906 1.00 0.00 H new ATOM 0 HE2 TYR A 90 89.453 6.852 -4.119 1.00 0.00 H new ATOM 0 HH TYR A 90 90.657 5.570 -5.501 1.00 0.00 H new ATOM 1326 N CYS A 91 83.017 5.421 -0.576 1.00 0.00 N ATOM 1327 CA CYS A 91 81.666 5.387 -0.011 1.00 0.00 C ATOM 1328 C CYS A 91 80.988 6.696 -0.422 1.00 0.00 C ATOM 1329 O CYS A 91 81.612 7.757 -0.339 1.00 0.00 O ATOM 1330 CB CYS A 91 81.741 5.253 1.525 1.00 0.00 C ATOM 1331 SG CYS A 91 81.303 3.607 2.166 1.00 0.00 S ATOM 0 H CYS A 91 83.594 6.188 -0.230 1.00 0.00 H new ATOM 0 HA CYS A 91 81.097 4.533 -0.378 1.00 0.00 H new ATOM 0 HB2 CYS A 91 82.753 5.497 1.849 1.00 0.00 H new ATOM 0 HB3 CYS A 91 81.076 5.991 1.974 1.00 0.00 H new ATOM 1336 N GLN A 92 79.700 6.655 -0.774 1.00 0.00 N ATOM 1337 CA GLN A 92 78.972 7.878 -1.119 1.00 0.00 C ATOM 1338 C GLN A 92 77.741 7.999 -0.222 1.00 0.00 C ATOM 1339 O GLN A 92 76.918 7.086 -0.158 1.00 0.00 O ATOM 1340 CB GLN A 92 78.553 7.852 -2.599 1.00 0.00 C ATOM 1341 CG GLN A 92 79.264 8.921 -3.435 1.00 0.00 C ATOM 1342 CD GLN A 92 80.699 8.494 -3.727 1.00 0.00 C ATOM 1343 OE1 GLN A 92 81.043 8.226 -4.879 1.00 0.00 O ATOM 1344 NE2 GLN A 92 81.534 8.318 -2.740 1.00 0.00 N ATOM 0 H GLN A 92 79.146 5.800 -0.827 1.00 0.00 H new ATOM 0 HA GLN A 92 79.620 8.740 -0.963 1.00 0.00 H new ATOM 0 HB2 GLN A 92 78.768 6.868 -3.016 1.00 0.00 H new ATOM 0 HB3 GLN A 92 77.475 7.999 -2.670 1.00 0.00 H new ATOM 0 HG2 GLN A 92 78.726 9.079 -4.370 1.00 0.00 H new ATOM 0 HG3 GLN A 92 79.261 9.872 -2.902 1.00 0.00 H new ATOM 0 HE21 GLN A 92 81.250 8.540 -1.786 1.00 0.00 H new ATOM 0 HE22 GLN A 92 82.471 7.959 -2.923 1.00 0.00 H new ATOM 1353 N SER A 93 77.703 9.043 0.602 1.00 0.00 N ATOM 1354 CA SER A 93 76.597 9.231 1.536 1.00 0.00 C ATOM 1355 C SER A 93 76.143 10.685 1.515 1.00 0.00 C ATOM 1356 O SER A 93 76.936 11.580 1.227 1.00 0.00 O ATOM 1357 CB SER A 93 77.049 8.862 2.950 1.00 0.00 C ATOM 1358 OG SER A 93 78.296 9.486 3.214 1.00 0.00 O ATOM 0 H SER A 93 78.420 9.767 0.642 1.00 0.00 H new ATOM 0 HA SER A 93 75.768 8.589 1.239 1.00 0.00 H new ATOM 0 HB2 SER A 93 76.305 9.184 3.679 1.00 0.00 H new ATOM 0 HB3 SER A 93 77.142 7.780 3.045 1.00 0.00 H new ATOM 0 HG SER A 93 78.592 9.256 4.119 1.00 0.00 H new ATOM 1364 N TYR A 94 74.837 10.904 1.609 1.00 0.00 N ATOM 1365 CA TYR A 94 74.330 12.269 1.618 1.00 0.00 C ATOM 1366 C TYR A 94 72.930 12.347 2.220 1.00 0.00 C ATOM 1367 O TYR A 94 72.104 11.456 2.014 1.00 0.00 O ATOM 1368 CB TYR A 94 74.357 12.792 0.182 1.00 0.00 C ATOM 1369 CG TYR A 94 73.871 11.714 -0.759 1.00 0.00 C ATOM 1370 CD1 TYR A 94 72.506 11.574 -1.031 1.00 0.00 C ATOM 1371 CD2 TYR A 94 74.791 10.811 -1.306 1.00 0.00 C ATOM 1372 CE1 TYR A 94 72.066 10.549 -1.877 1.00 0.00 C ATOM 1373 CE2 TYR A 94 74.356 9.813 -2.186 1.00 0.00 C ATOM 1374 CZ TYR A 94 72.990 9.672 -2.457 1.00 0.00 C ATOM 1375 OH TYR A 94 72.556 8.657 -3.285 1.00 0.00 O ATOM 0 H TYR A 94 74.127 10.175 1.678 1.00 0.00 H new ATOM 0 HA TYR A 94 74.962 12.893 2.250 1.00 0.00 H new ATOM 0 HB2 TYR A 94 73.726 13.677 0.095 1.00 0.00 H new ATOM 0 HB3 TYR A 94 75.369 13.094 -0.087 1.00 0.00 H new ATOM 0 HD1 TYR A 94 71.793 12.255 -0.589 1.00 0.00 H new ATOM 0 HD2 TYR A 94 75.837 10.885 -1.049 1.00 0.00 H new ATOM 0 HE1 TYR A 94 71.012 10.435 -2.082 1.00 0.00 H new ATOM 0 HE2 TYR A 94 75.072 9.154 -2.654 1.00 0.00 H new ATOM 0 HH TYR A 94 73.089 7.851 -3.122 1.00 0.00 H new ATOM 1385 N ASP A 95 72.653 13.440 2.926 1.00 0.00 N ATOM 1386 CA ASP A 95 71.338 13.669 3.519 1.00 0.00 C ATOM 1387 C ASP A 95 70.633 14.816 2.803 1.00 0.00 C ATOM 1388 O ASP A 95 70.757 14.974 1.588 1.00 0.00 O ATOM 1389 CB ASP A 95 71.505 13.993 5.009 1.00 0.00 C ATOM 1390 CG ASP A 95 70.323 13.469 5.817 1.00 0.00 C ATOM 1391 OD1 ASP A 95 70.011 12.299 5.677 1.00 0.00 O ATOM 1392 OD2 ASP A 95 69.724 14.255 6.532 1.00 0.00 O ATOM 0 H ASP A 95 73.326 14.186 3.102 1.00 0.00 H new ATOM 0 HA ASP A 95 70.729 12.771 3.412 1.00 0.00 H new ATOM 0 HB2 ASP A 95 72.429 13.550 5.380 1.00 0.00 H new ATOM 0 HB3 ASP A 95 71.593 15.071 5.143 1.00 0.00 H new ATOM 1397 N SER A 96 69.815 15.553 3.549 1.00 0.00 N ATOM 1398 CA SER A 96 69.076 16.672 2.975 1.00 0.00 C ATOM 1399 C SER A 96 70.005 17.847 2.680 1.00 0.00 C ATOM 1400 O SER A 96 69.850 18.529 1.667 1.00 0.00 O ATOM 1401 CB SER A 96 67.967 17.107 3.939 1.00 0.00 C ATOM 1402 OG SER A 96 66.958 17.797 3.215 1.00 0.00 O ATOM 0 H SER A 96 69.648 15.397 4.543 1.00 0.00 H new ATOM 0 HA SER A 96 68.632 16.347 2.034 1.00 0.00 H new ATOM 0 HB2 SER A 96 67.541 16.236 4.438 1.00 0.00 H new ATOM 0 HB3 SER A 96 68.378 17.751 4.717 1.00 0.00 H new ATOM 0 HG SER A 96 66.247 18.075 3.829 1.00 0.00 H new ATOM 1408 N SER A 97 70.926 18.119 3.601 1.00 0.00 N ATOM 1409 CA SER A 97 71.816 19.268 3.467 1.00 0.00 C ATOM 1410 C SER A 97 73.050 18.902 2.649 1.00 0.00 C ATOM 1411 O SER A 97 73.851 19.766 2.293 1.00 0.00 O ATOM 1412 CB SER A 97 72.257 19.747 4.851 1.00 0.00 C ATOM 1413 OG SER A 97 73.316 20.681 4.710 1.00 0.00 O ATOM 0 H SER A 97 71.075 17.563 4.443 1.00 0.00 H new ATOM 0 HA SER A 97 71.273 20.063 2.955 1.00 0.00 H new ATOM 0 HB2 SER A 97 71.418 20.207 5.373 1.00 0.00 H new ATOM 0 HB3 SER A 97 72.582 18.900 5.455 1.00 0.00 H new ATOM 0 HG SER A 97 73.526 20.796 3.760 1.00 0.00 H new ATOM 1419 N ASN A 98 73.178 17.618 2.327 1.00 0.00 N ATOM 1420 CA ASN A 98 74.322 17.122 1.566 1.00 0.00 C ATOM 1421 C ASN A 98 73.961 16.899 0.102 1.00 0.00 C ATOM 1422 O ASN A 98 74.328 17.689 -0.766 1.00 0.00 O ATOM 1423 CB ASN A 98 74.810 15.818 2.196 1.00 0.00 C ATOM 1424 CG ASN A 98 74.737 15.910 3.716 1.00 0.00 C ATOM 1425 OD1 ASN A 98 75.747 15.741 4.399 1.00 0.00 O ATOM 1426 ND2 ASN A 98 73.575 16.053 4.291 1.00 0.00 N ATOM 0 H ASN A 98 72.501 16.899 2.582 1.00 0.00 H new ATOM 0 HA ASN A 98 75.115 17.869 1.597 1.00 0.00 H new ATOM 0 HB2 ASN A 98 74.201 14.985 1.845 1.00 0.00 H new ATOM 0 HB3 ASN A 98 75.835 15.616 1.885 1.00 0.00 H new ATOM 0 HD21 ASN A 98 73.502 16.025 5.308 1.00 0.00 H new ATOM 0 HD22 ASN A 98 72.739 16.193 3.724 1.00 0.00 H new ATOM 1433 N HIS A 99 73.139 15.885 -0.140 1.00 0.00 N ATOM 1434 CA HIS A 99 72.689 15.551 -1.486 1.00 0.00 C ATOM 1435 C HIS A 99 73.752 14.782 -2.267 1.00 0.00 C ATOM 1436 O HIS A 99 73.425 14.185 -3.292 1.00 0.00 O ATOM 1437 CB HIS A 99 72.306 16.835 -2.233 1.00 0.00 C ATOM 1438 CG HIS A 99 71.126 16.603 -3.139 1.00 0.00 C ATOM 1439 ND1 HIS A 99 71.153 15.685 -4.176 1.00 0.00 N ATOM 1440 CD2 HIS A 99 69.852 17.117 -3.121 1.00 0.00 C ATOM 1441 CE1 HIS A 99 69.942 15.696 -4.756 1.00 0.00 C ATOM 1442 NE2 HIS A 99 69.108 16.540 -4.147 1.00 0.00 N ATOM 0 H HIS A 99 72.767 15.274 0.587 1.00 0.00 H new ATOM 0 HA HIS A 99 71.818 14.902 -1.399 1.00 0.00 H new ATOM 0 HB2 HIS A 99 72.069 17.620 -1.515 1.00 0.00 H new ATOM 0 HB3 HIS A 99 73.155 17.186 -2.819 1.00 0.00 H new ATOM 0 HD1 HIS A 99 71.947 15.106 -4.449 1.00 0.00 H new ATOM 0 HD2 HIS A 99 69.485 17.853 -2.421 1.00 0.00 H new ATOM 0 HE1 HIS A 99 69.676 15.094 -5.612 1.00 0.00 H new ATOM 1450 N VAL A 100 74.972 14.702 -1.738 1.00 0.00 N ATOM 1451 CA VAL A 100 76.070 13.997 -2.398 1.00 0.00 C ATOM 1452 C VAL A 100 77.383 14.279 -1.665 1.00 0.00 C ATOM 1453 O VAL A 100 77.957 15.357 -1.819 1.00 0.00 O ATOM 1454 CB VAL A 100 76.194 14.407 -3.876 1.00 0.00 C ATOM 1455 CG1 VAL A 100 75.399 13.480 -4.817 1.00 0.00 C ATOM 1456 CG2 VAL A 100 75.758 15.868 -4.057 1.00 0.00 C ATOM 0 H VAL A 100 75.227 15.122 -0.844 1.00 0.00 H new ATOM 0 HA VAL A 100 75.855 12.929 -2.364 1.00 0.00 H new ATOM 0 HB VAL A 100 77.243 14.307 -4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 100 75.522 13.815 -5.847 1.00 0.00 H new ATOM 0 HG12 VAL A 100 75.770 12.459 -4.721 1.00 0.00 H new ATOM 0 HG13 VAL A 100 74.343 13.509 -4.549 1.00 0.00 H new ATOM 0 HG21 VAL A 100 75.850 16.148 -5.106 1.00 0.00 H new ATOM 0 HG22 VAL A 100 74.721 15.980 -3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 100 76.393 16.515 -3.452 1.00 0.00 H new ATOM 1466 N VAL A 101 77.964 13.246 -1.057 1.00 0.00 N ATOM 1467 CA VAL A 101 79.290 13.334 -0.450 1.00 0.00 C ATOM 1468 C VAL A 101 80.086 12.082 -0.808 1.00 0.00 C ATOM 1469 O VAL A 101 79.521 10.990 -0.851 1.00 0.00 O ATOM 1470 CB VAL A 101 79.179 13.435 1.077 1.00 0.00 C ATOM 1471 CG1 VAL A 101 80.471 14.008 1.658 1.00 0.00 C ATOM 1472 CG2 VAL A 101 78.017 14.348 1.467 1.00 0.00 C ATOM 0 H VAL A 101 77.530 12.327 -0.972 1.00 0.00 H new ATOM 0 HA VAL A 101 79.791 14.225 -0.828 1.00 0.00 H new ATOM 0 HB VAL A 101 79.005 12.435 1.474 1.00 0.00 H new ATOM 0 HG11 VAL A 101 80.383 14.076 2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 101 81.306 13.356 1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 101 80.647 15.001 1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 101 77.951 14.409 2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 101 78.183 15.344 1.057 1.00 0.00 H new ATOM 0 HG23 VAL A 101 77.087 13.943 1.070 1.00 0.00 H new ATOM 1482 N PHE A 102 81.404 12.211 -0.938 1.00 0.00 N ATOM 1483 CA PHE A 102 82.254 11.073 -1.278 1.00 0.00 C ATOM 1484 C PHE A 102 83.423 10.966 -0.303 1.00 0.00 C ATOM 1485 O PHE A 102 84.027 11.975 0.061 1.00 0.00 O ATOM 1486 CB PHE A 102 82.785 11.232 -2.704 1.00 0.00 C ATOM 1487 CG PHE A 102 83.754 12.391 -2.767 1.00 0.00 C ATOM 1488 CD1 PHE A 102 83.279 13.707 -2.816 1.00 0.00 C ATOM 1489 CD2 PHE A 102 85.132 12.146 -2.810 1.00 0.00 C ATOM 1490 CE1 PHE A 102 84.183 14.775 -2.863 1.00 0.00 C ATOM 1491 CE2 PHE A 102 86.035 13.213 -2.866 1.00 0.00 C ATOM 1492 CZ PHE A 102 85.560 14.527 -2.926 1.00 0.00 C ATOM 0 H PHE A 102 81.906 13.090 -0.813 1.00 0.00 H new ATOM 0 HA PHE A 102 81.659 10.162 -1.210 1.00 0.00 H new ATOM 0 HB2 PHE A 102 83.281 10.315 -3.021 1.00 0.00 H new ATOM 0 HB3 PHE A 102 81.957 11.401 -3.393 1.00 0.00 H new ATOM 0 HD1 PHE A 102 82.216 13.898 -2.818 1.00 0.00 H new ATOM 0 HD2 PHE A 102 85.499 11.130 -2.800 1.00 0.00 H new ATOM 0 HE1 PHE A 102 83.818 15.791 -2.851 1.00 0.00 H new ATOM 0 HE2 PHE A 102 87.098 13.022 -2.863 1.00 0.00 H new ATOM 0 HZ PHE A 102 86.254 15.349 -3.021 1.00 0.00 H new ATOM 1502 N GLY A 103 83.738 9.744 0.120 1.00 0.00 N ATOM 1503 CA GLY A 103 84.832 9.544 1.064 1.00 0.00 C ATOM 1504 C GLY A 103 85.072 8.058 1.303 1.00 0.00 C ATOM 1505 O GLY A 103 84.690 7.221 0.485 1.00 0.00 O ATOM 0 H GLY A 103 83.260 8.891 -0.170 1.00 0.00 H new ATOM 0 HA2 GLY A 103 85.741 10.007 0.679 1.00 0.00 H new ATOM 0 HA3 GLY A 103 84.599 10.036 2.008 1.00 0.00 H new ATOM 1509 N GLY A 104 85.627 7.730 2.465 1.00 0.00 N ATOM 1510 CA GLY A 104 85.830 6.332 2.825 1.00 0.00 C ATOM 1511 C GLY A 104 86.827 5.667 1.881 1.00 0.00 C ATOM 1512 O GLY A 104 86.609 4.544 1.426 1.00 0.00 O ATOM 0 H GLY A 104 85.940 8.403 3.165 1.00 0.00 H new ATOM 0 HA2 GLY A 104 86.194 6.265 3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 104 84.879 5.801 2.789 1.00 0.00 H new ATOM 1516 N GLY A 105 87.880 6.396 1.526 1.00 0.00 N ATOM 1517 CA GLY A 105 88.887 5.864 0.614 1.00 0.00 C ATOM 1518 C GLY A 105 89.761 4.826 1.311 1.00 0.00 C ATOM 1519 O GLY A 105 90.708 5.173 2.016 1.00 0.00 O ATOM 0 H GLY A 105 88.058 7.346 1.851 1.00 0.00 H new ATOM 0 HA2 GLY A 105 88.399 5.413 -0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 105 89.510 6.677 0.240 1.00 0.00 H new ATOM 1523 N THR A 106 89.425 3.551 1.129 1.00 0.00 N ATOM 1524 CA THR A 106 90.186 2.456 1.724 1.00 0.00 C ATOM 1525 C THR A 106 90.725 1.535 0.634 1.00 0.00 C ATOM 1526 O THR A 106 89.980 1.094 -0.241 1.00 0.00 O ATOM 1527 CB THR A 106 89.289 1.650 2.666 1.00 0.00 C ATOM 1528 OG1 THR A 106 88.737 2.514 3.649 1.00 0.00 O ATOM 1529 CG2 THR A 106 90.110 0.560 3.358 1.00 0.00 C ATOM 0 H THR A 106 88.626 3.250 0.571 1.00 0.00 H new ATOM 0 HA THR A 106 91.021 2.877 2.285 1.00 0.00 H new ATOM 0 HB THR A 106 88.488 1.189 2.089 1.00 0.00 H new ATOM 0 HG1 THR A 106 89.444 2.808 4.261 1.00 0.00 H new ATOM 0 HG21 THR A 106 89.466 -0.011 4.027 1.00 0.00 H new ATOM 0 HG22 THR A 106 90.535 -0.107 2.608 1.00 0.00 H new ATOM 0 HG23 THR A 106 90.914 1.020 3.932 1.00 0.00 H new ATOM 1537 N LYS A 107 92.014 1.220 0.720 1.00 0.00 N ATOM 1538 CA LYS A 107 92.647 0.328 -0.247 1.00 0.00 C ATOM 1539 C LYS A 107 92.546 -1.120 0.220 1.00 0.00 C ATOM 1540 O LYS A 107 93.096 -1.484 1.261 1.00 0.00 O ATOM 1541 CB LYS A 107 94.120 0.703 -0.407 1.00 0.00 C ATOM 1542 CG LYS A 107 94.220 2.099 -1.023 1.00 0.00 C ATOM 1543 CD LYS A 107 95.691 2.449 -1.251 1.00 0.00 C ATOM 1544 CE LYS A 107 95.785 3.811 -1.940 1.00 0.00 C ATOM 1545 NZ LYS A 107 97.216 4.154 -2.170 1.00 0.00 N ATOM 0 H LYS A 107 92.639 1.568 1.447 1.00 0.00 H new ATOM 0 HA LYS A 107 92.134 0.431 -1.203 1.00 0.00 H new ATOM 0 HB2 LYS A 107 94.620 0.683 0.561 1.00 0.00 H new ATOM 0 HB3 LYS A 107 94.626 -0.025 -1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 107 93.676 2.132 -1.967 1.00 0.00 H new ATOM 0 HG3 LYS A 107 93.758 2.834 -0.363 1.00 0.00 H new ATOM 0 HD2 LYS A 107 96.223 2.472 -0.300 1.00 0.00 H new ATOM 0 HD3 LYS A 107 96.168 1.685 -1.864 1.00 0.00 H new ATOM 0 HE2 LYS A 107 95.249 3.788 -2.889 1.00 0.00 H new ATOM 0 HE3 LYS A 107 95.311 4.575 -1.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 97.280 5.080 -2.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 97.715 4.192 -1.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 97.654 3.429 -2.774 1.00 0.00 H new ATOM 1559 N LEU A 108 91.854 -1.947 -0.558 1.00 0.00 N ATOM 1560 CA LEU A 108 91.701 -3.359 -0.226 1.00 0.00 C ATOM 1561 C LEU A 108 92.675 -4.202 -1.042 1.00 0.00 C ATOM 1562 O LEU A 108 92.669 -4.161 -2.273 1.00 0.00 O ATOM 1563 CB LEU A 108 90.264 -3.799 -0.517 1.00 0.00 C ATOM 1564 CG LEU A 108 90.022 -5.223 -0.010 1.00 0.00 C ATOM 1565 CD1 LEU A 108 90.028 -5.268 1.521 1.00 0.00 C ATOM 1566 CD2 LEU A 108 88.672 -5.711 -0.542 1.00 0.00 C ATOM 0 H LEU A 108 91.391 -1.664 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 108 91.918 -3.501 0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 108 89.564 -3.113 -0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 108 90.074 -3.752 -1.589 1.00 0.00 H new ATOM 0 HG LEU A 108 90.823 -5.871 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 108 89.854 -6.291 1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 108 90.994 -4.924 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 108 89.240 -4.621 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 108 88.487 -6.725 -0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 108 87.881 -5.052 -0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 108 88.686 -5.704 -1.632 1.00 0.00 H new ATOM 1578 N THR A 109 93.478 -5.002 -0.347 1.00 0.00 N ATOM 1579 CA THR A 109 94.446 -5.884 -0.994 1.00 0.00 C ATOM 1580 C THR A 109 94.090 -7.337 -0.690 1.00 0.00 C ATOM 1581 O THR A 109 94.355 -7.830 0.406 1.00 0.00 O ATOM 1582 CB THR A 109 95.848 -5.542 -0.471 1.00 0.00 C ATOM 1583 OG1 THR A 109 95.718 -4.758 0.706 1.00 0.00 O ATOM 1584 CG2 THR A 109 96.647 -4.747 -1.509 1.00 0.00 C ATOM 0 H THR A 109 93.477 -5.058 0.671 1.00 0.00 H new ATOM 0 HA THR A 109 94.427 -5.746 -2.075 1.00 0.00 H new ATOM 0 HB THR A 109 96.378 -6.472 -0.263 1.00 0.00 H new ATOM 0 HG1 THR A 109 96.608 -4.535 1.050 1.00 0.00 H new ATOM 0 HG21 THR A 109 97.636 -4.519 -1.111 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.750 -5.338 -2.419 1.00 0.00 H new ATOM 0 HG23 THR A 109 96.125 -3.818 -1.737 1.00 0.00 H new ATOM 1592 N VAL A 110 93.622 -8.054 -1.708 1.00 0.00 N ATOM 1593 CA VAL A 110 93.286 -9.466 -1.552 1.00 0.00 C ATOM 1594 C VAL A 110 94.529 -10.336 -1.720 1.00 0.00 C ATOM 1595 O VAL A 110 94.493 -11.368 -2.390 1.00 0.00 O ATOM 1596 CB VAL A 110 92.217 -9.858 -2.576 1.00 0.00 C ATOM 1597 CG1 VAL A 110 91.816 -11.332 -2.415 1.00 0.00 C ATOM 1598 CG2 VAL A 110 90.999 -8.947 -2.385 1.00 0.00 C ATOM 0 H VAL A 110 93.467 -7.683 -2.645 1.00 0.00 H new ATOM 0 HA VAL A 110 92.893 -9.626 -0.548 1.00 0.00 H new ATOM 0 HB VAL A 110 92.618 -9.735 -3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 110 91.056 -11.585 -3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 110 92.691 -11.965 -2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 110 91.417 -11.493 -1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 110 90.228 -9.214 -3.108 1.00 0.00 H new ATOM 0 HG22 VAL A 110 90.608 -9.070 -1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 110 91.294 -7.909 -2.536 1.00 0.00 H new ATOM 1608 N LEU A 111 95.628 -9.926 -1.092 1.00 0.00 N ATOM 1609 CA LEU A 111 96.872 -10.687 -1.158 1.00 0.00 C ATOM 1610 C LEU A 111 97.089 -11.272 -2.551 1.00 0.00 C ATOM 1611 O LEU A 111 96.993 -12.482 -2.684 1.00 0.00 O ATOM 1612 CB LEU A 111 96.843 -11.822 -0.133 1.00 0.00 C ATOM 1613 CG LEU A 111 96.656 -11.243 1.273 1.00 0.00 C ATOM 1614 CD1 LEU A 111 96.492 -12.374 2.294 1.00 0.00 C ATOM 1615 CD2 LEU A 111 97.854 -10.359 1.644 1.00 0.00 C ATOM 1616 OXT LEU A 111 97.267 -10.496 -3.476 1.00 0.00 O ATOM 0 H LEU A 111 95.682 -9.074 -0.534 1.00 0.00 H new ATOM 0 HA LEU A 111 97.694 -10.006 -0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 111 96.032 -12.512 -0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 111 97.770 -12.393 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 111 95.754 -10.631 1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 111 96.360 -11.949 3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 111 95.619 -12.973 2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 111 97.381 -13.005 2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 111 97.710 -9.953 2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 111 98.767 -10.955 1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 111 97.937 -9.541 0.929 1.00 0.00 H new TER 1628 LEU A 111