USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 752 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 40 ASN : amide:sc= -1.27 K(o=-1.7,f=-7.5!) USER MOD Set 1.2: A 59 GLN : amide:sc= -0.39 K(o=-1.7,f=-1.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= -0.0836 (180deg=-0.358) USER MOD Single : A 3 HIS : no HD1:sc= -0.569! C(o=-0.57!,f=-0.53!) USER MOD Single : A 4 HIS : no HD1:sc= -1.95! C(o=-2!,f=-3!) USER MOD Single : A 5 HIS : no HD1:sc= -1.76! C(o=-1.8!,f=-4.9!) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 7 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.26) USER MOD Single : A 8 HIS : no HD1:sc= -0.915 K(o=-0.91,f=-1.8!) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 26:sc= 0.0637 USER MOD Single : A 16 ASN : amide:sc= -0.685 K(o=-0.69,f=-2.3!) USER MOD Single : A 20 HIS : no HE2:sc= -0.331 K(o=-0.33,f=-2.2!) USER MOD Single : A 21 THR OG1 : rot -100:sc= -1.94 USER MOD Single : A 25 SER OG : rot 180:sc= -0.354 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.645 X(o=-0.64,f=-0.42) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 169:sc=-0.00485 (180deg=-0.185) USER MOD Single : A 48 GLN : amide:sc= -0.0266 X(o=-0.027,f=-0.2) USER MOD Single : A 49 THR OG1 : rot 100:sc= 0.0721 USER MOD Single : A 50 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.26) USER MOD Single : A 51 GLN : amide:sc= -6.07! C(o=-6.1!,f=-8.5!) USER MOD Single : A 52 ASN : amide:sc= -2.97 K(o=-3,f=-9.2!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -122:sc= -0.0521 (180deg=-0.333) USER MOD Single : A 67 SER OG : rot 180:sc= 0.104 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -5.34! C(o=-5.3!,f=-4.7!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 81 LYS NZ :NH3+ -120:sc= -0.352 (180deg=-1.2) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -114:sc= -0.687 (180deg=-1.6) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.972 13.598 -8.185 1.00 1.00 N ATOM 2 CA MET A 1 11.081 14.523 -8.551 1.00 1.00 C ATOM 3 C MET A 1 11.065 15.727 -7.615 1.00 1.00 C ATOM 4 O MET A 1 11.540 16.806 -7.968 1.00 1.00 O ATOM 5 CB MET A 1 10.900 14.985 -9.999 1.00 1.00 C ATOM 6 CG MET A 1 12.254 15.398 -10.577 1.00 1.00 C ATOM 7 SD MET A 1 12.001 16.282 -12.135 1.00 1.00 S ATOM 8 CE MET A 1 13.085 17.686 -11.780 1.00 1.00 C ATOM 0 H1 MET A 1 9.828 12.908 -8.950 1.00 1.00 H new ATOM 0 H2 MET A 1 10.214 13.096 -7.307 1.00 1.00 H new ATOM 0 H3 MET A 1 9.098 14.143 -8.042 1.00 1.00 H new ATOM 0 HA MET A 1 12.037 14.008 -8.456 1.00 1.00 H new ATOM 0 HB2 MET A 1 10.467 14.182 -10.596 1.00 1.00 H new ATOM 0 HB3 MET A 1 10.204 15.823 -10.040 1.00 1.00 H new ATOM 0 HG2 MET A 1 12.785 16.033 -9.868 1.00 1.00 H new ATOM 0 HG3 MET A 1 12.874 14.517 -10.743 1.00 1.00 H new ATOM 0 HE1 MET A 1 13.080 18.373 -12.626 1.00 1.00 H new ATOM 0 HE2 MET A 1 12.729 18.204 -10.890 1.00 1.00 H new ATOM 0 HE3 MET A 1 14.100 17.328 -11.610 1.00 1.00 H new ATOM 20 N GLY A 2 10.513 15.535 -6.421 1.00 1.00 N ATOM 21 CA GLY A 2 10.440 16.613 -5.442 1.00 1.00 C ATOM 22 C GLY A 2 10.641 16.079 -4.028 1.00 1.00 C ATOM 23 O GLY A 2 9.694 15.626 -3.386 1.00 1.00 O ATOM 0 H GLY A 2 10.113 14.650 -6.110 1.00 1.00 H new ATOM 0 HA2 GLY A 2 11.200 17.363 -5.663 1.00 1.00 H new ATOM 0 HA3 GLY A 2 9.472 17.109 -5.513 1.00 1.00 H new ATOM 27 N HIS A 3 11.879 16.137 -3.549 1.00 1.00 N ATOM 28 CA HIS A 3 12.192 15.657 -2.208 1.00 1.00 C ATOM 29 C HIS A 3 11.925 16.744 -1.173 1.00 1.00 C ATOM 30 O HIS A 3 12.769 17.608 -0.933 1.00 1.00 O ATOM 31 CB HIS A 3 13.660 15.231 -2.136 1.00 1.00 C ATOM 32 CG HIS A 3 14.374 15.680 -3.381 1.00 1.00 C ATOM 33 ND1 HIS A 3 14.492 14.870 -4.499 1.00 1.00 N ATOM 34 CD2 HIS A 3 15.014 16.852 -3.698 1.00 1.00 C ATOM 35 CE1 HIS A 3 15.178 15.559 -5.429 1.00 1.00 C ATOM 36 NE2 HIS A 3 15.520 16.773 -4.992 1.00 1.00 N ATOM 0 H HIS A 3 12.677 16.509 -4.065 1.00 1.00 H new ATOM 0 HA HIS A 3 11.553 14.801 -1.991 1.00 1.00 H new ATOM 0 HB2 HIS A 3 14.133 15.666 -1.256 1.00 1.00 H new ATOM 0 HB3 HIS A 3 13.731 14.148 -2.034 1.00 1.00 H new ATOM 0 HD2 HIS A 3 15.110 17.705 -3.043 1.00 1.00 H new ATOM 0 HE1 HIS A 3 15.422 15.177 -6.409 1.00 1.00 H new ATOM 0 HE2 HIS A 3 16.041 17.489 -5.498 1.00 1.00 H new ATOM 44 N HIS A 4 10.745 16.696 -0.562 1.00 1.00 N ATOM 45 CA HIS A 4 10.377 17.684 0.446 1.00 1.00 C ATOM 46 C HIS A 4 9.483 17.055 1.511 1.00 1.00 C ATOM 47 O HIS A 4 9.949 16.696 2.591 1.00 1.00 O ATOM 48 CB HIS A 4 9.644 18.853 -0.212 1.00 1.00 C ATOM 49 CG HIS A 4 9.022 19.718 0.851 1.00 1.00 C ATOM 50 ND1 HIS A 4 9.427 19.666 2.174 1.00 1.00 N ATOM 51 CD2 HIS A 4 8.024 20.658 0.800 1.00 1.00 C ATOM 52 CE1 HIS A 4 8.683 20.552 2.861 1.00 1.00 C ATOM 53 NE2 HIS A 4 7.811 21.183 2.071 1.00 1.00 N ATOM 0 H HIS A 4 10.033 15.989 -0.745 1.00 1.00 H new ATOM 0 HA HIS A 4 11.288 18.048 0.921 1.00 1.00 H new ATOM 0 HB2 HIS A 4 10.339 19.440 -0.813 1.00 1.00 H new ATOM 0 HB3 HIS A 4 8.875 18.480 -0.888 1.00 1.00 H new ATOM 0 HD2 HIS A 4 7.486 20.947 -0.091 1.00 1.00 H new ATOM 0 HE1 HIS A 4 8.779 20.731 3.922 1.00 1.00 H new ATOM 0 HE2 HIS A 4 7.134 21.897 2.341 1.00 1.00 H new ATOM 61 N HIS A 5 8.199 16.928 1.197 1.00 1.00 N ATOM 62 CA HIS A 5 7.248 16.342 2.135 1.00 1.00 C ATOM 63 C HIS A 5 7.496 14.844 2.286 1.00 1.00 C ATOM 64 O HIS A 5 6.654 14.027 1.917 1.00 1.00 O ATOM 65 CB HIS A 5 5.817 16.578 1.646 1.00 1.00 C ATOM 66 CG HIS A 5 5.725 16.233 0.184 1.00 1.00 C ATOM 67 ND1 HIS A 5 6.684 15.465 -0.456 1.00 1.00 N ATOM 68 CD2 HIS A 5 4.791 16.543 -0.773 1.00 1.00 C ATOM 69 CE1 HIS A 5 6.311 15.340 -1.744 1.00 1.00 C ATOM 70 NE2 HIS A 5 5.164 15.977 -1.991 1.00 1.00 N ATOM 0 H HIS A 5 7.794 17.220 0.307 1.00 1.00 H new ATOM 0 HA HIS A 5 7.383 16.820 3.105 1.00 1.00 H new ATOM 0 HB2 HIS A 5 5.120 15.967 2.220 1.00 1.00 H new ATOM 0 HB3 HIS A 5 5.534 17.619 1.804 1.00 1.00 H new ATOM 0 HD2 HIS A 5 3.903 17.135 -0.608 1.00 1.00 H new ATOM 0 HE1 HIS A 5 6.871 14.791 -2.487 1.00 1.00 H new ATOM 0 HE2 HIS A 5 4.667 16.037 -2.880 1.00 1.00 H new ATOM 78 N HIS A 6 8.655 14.494 2.832 1.00 1.00 N ATOM 79 CA HIS A 6 9.003 13.091 3.028 1.00 1.00 C ATOM 80 C HIS A 6 8.696 12.658 4.458 1.00 1.00 C ATOM 81 O HIS A 6 9.064 11.561 4.877 1.00 1.00 O ATOM 82 CB HIS A 6 10.488 12.875 2.735 1.00 1.00 C ATOM 83 CG HIS A 6 10.638 12.048 1.488 1.00 1.00 C ATOM 84 ND1 HIS A 6 10.194 12.489 0.251 1.00 1.00 N ATOM 85 CD2 HIS A 6 11.180 10.805 1.271 1.00 1.00 C ATOM 86 CE1 HIS A 6 10.474 11.526 -0.647 1.00 1.00 C ATOM 87 NE2 HIS A 6 11.076 10.478 -0.078 1.00 1.00 N ATOM 0 H HIS A 6 9.365 15.156 3.145 1.00 1.00 H new ATOM 0 HA HIS A 6 8.407 12.489 2.342 1.00 1.00 H new ATOM 0 HB2 HIS A 6 10.988 13.835 2.610 1.00 1.00 H new ATOM 0 HB3 HIS A 6 10.966 12.374 3.576 1.00 1.00 H new ATOM 0 HD2 HIS A 6 11.620 10.177 2.031 1.00 1.00 H new ATOM 0 HE1 HIS A 6 10.240 11.593 -1.699 1.00 1.00 H new ATOM 0 HE2 HIS A 6 11.392 9.622 -0.534 1.00 1.00 H new ATOM 95 N HIS A 7 8.019 13.528 5.201 1.00 1.00 N ATOM 96 CA HIS A 7 7.667 13.227 6.583 1.00 1.00 C ATOM 97 C HIS A 7 6.255 13.713 6.895 1.00 1.00 C ATOM 98 O HIS A 7 5.975 14.166 8.005 1.00 1.00 O ATOM 99 CB HIS A 7 8.662 13.897 7.533 1.00 1.00 C ATOM 100 CG HIS A 7 8.622 13.210 8.869 1.00 1.00 C ATOM 101 ND1 HIS A 7 9.065 11.907 9.044 1.00 1.00 N ATOM 102 CD2 HIS A 7 8.199 13.630 10.107 1.00 1.00 C ATOM 103 CE1 HIS A 7 8.898 11.592 10.342 1.00 1.00 C ATOM 104 NE2 HIS A 7 8.373 12.606 11.035 1.00 1.00 N ATOM 0 H HIS A 7 7.705 14.441 4.872 1.00 1.00 H new ATOM 0 HA HIS A 7 7.705 12.146 6.721 1.00 1.00 H new ATOM 0 HB2 HIS A 7 9.668 13.847 7.117 1.00 1.00 H new ATOM 0 HB3 HIS A 7 8.417 14.953 7.648 1.00 1.00 H new ATOM 0 HD2 HIS A 7 7.793 14.606 10.327 1.00 1.00 H new ATOM 0 HE1 HIS A 7 9.157 10.635 10.771 1.00 1.00 H new ATOM 0 HE2 HIS A 7 8.148 12.626 12.030 1.00 1.00 H new ATOM 112 N HIS A 8 5.371 13.615 5.909 1.00 1.00 N ATOM 113 CA HIS A 8 3.991 14.049 6.087 1.00 1.00 C ATOM 114 C HIS A 8 3.038 13.132 5.326 1.00 1.00 C ATOM 115 O HIS A 8 2.457 13.526 4.316 1.00 1.00 O ATOM 116 CB HIS A 8 3.825 15.485 5.588 1.00 1.00 C ATOM 117 CG HIS A 8 2.399 15.923 5.782 1.00 1.00 C ATOM 118 ND1 HIS A 8 1.528 15.251 6.626 1.00 1.00 N ATOM 119 CD2 HIS A 8 1.677 16.963 5.250 1.00 1.00 C ATOM 120 CE1 HIS A 8 0.342 15.887 6.576 1.00 1.00 C ATOM 121 NE2 HIS A 8 0.380 16.938 5.753 1.00 1.00 N ATOM 0 H HIS A 8 5.583 13.241 4.984 1.00 1.00 H new ATOM 0 HA HIS A 8 3.751 14.004 7.149 1.00 1.00 H new ATOM 0 HB2 HIS A 8 4.498 16.150 6.130 1.00 1.00 H new ATOM 0 HB3 HIS A 8 4.096 15.548 4.534 1.00 1.00 H new ATOM 0 HD2 HIS A 8 2.058 17.690 4.548 1.00 1.00 H new ATOM 0 HE1 HIS A 8 -0.532 15.584 7.133 1.00 1.00 H new ATOM 0 HE2 HIS A 8 -0.380 17.584 5.539 1.00 1.00 H new ATOM 129 N MET A 9 2.886 11.907 5.819 1.00 1.00 N ATOM 130 CA MET A 9 2.003 10.936 5.181 1.00 1.00 C ATOM 131 C MET A 9 2.380 10.745 3.717 1.00 1.00 C ATOM 132 O MET A 9 2.228 11.652 2.898 1.00 1.00 O ATOM 133 CB MET A 9 0.550 11.404 5.285 1.00 1.00 C ATOM 134 CG MET A 9 -0.342 10.539 4.387 1.00 1.00 C ATOM 135 SD MET A 9 -0.441 11.282 2.740 1.00 1.00 S ATOM 136 CE MET A 9 -1.957 12.233 3.011 1.00 1.00 C ATOM 0 H MET A 9 3.360 11.564 6.654 1.00 1.00 H new ATOM 0 HA MET A 9 2.113 9.981 5.695 1.00 1.00 H new ATOM 0 HB2 MET A 9 0.211 11.340 6.319 1.00 1.00 H new ATOM 0 HB3 MET A 9 0.474 12.450 4.989 1.00 1.00 H new ATOM 0 HG2 MET A 9 0.063 9.529 4.318 1.00 1.00 H new ATOM 0 HG3 MET A 9 -1.339 10.454 4.820 1.00 1.00 H new ATOM 0 HE1 MET A 9 -2.210 12.781 2.103 1.00 1.00 H new ATOM 0 HE2 MET A 9 -2.772 11.555 3.264 1.00 1.00 H new ATOM 0 HE3 MET A 9 -1.804 12.937 3.829 1.00 1.00 H new ATOM 146 N ASP A 10 2.874 9.556 3.398 1.00 1.00 N ATOM 147 CA ASP A 10 3.275 9.245 2.031 1.00 1.00 C ATOM 148 C ASP A 10 3.680 7.780 1.913 1.00 1.00 C ATOM 149 O ASP A 10 4.535 7.425 1.102 1.00 1.00 O ATOM 150 CB ASP A 10 4.444 10.137 1.612 1.00 1.00 C ATOM 151 CG ASP A 10 5.577 10.024 2.626 1.00 1.00 C ATOM 152 OD1 ASP A 10 5.413 9.292 3.589 1.00 1.00 O ATOM 153 OD2 ASP A 10 6.592 10.670 2.426 1.00 1.00 O ATOM 0 H ASP A 10 3.007 8.794 4.063 1.00 1.00 H new ATOM 0 HA ASP A 10 2.426 9.430 1.372 1.00 1.00 H new ATOM 0 HB2 ASP A 10 4.799 9.845 0.624 1.00 1.00 H new ATOM 0 HB3 ASP A 10 4.113 11.173 1.538 1.00 1.00 H new ATOM 158 N THR A 11 3.061 6.935 2.730 1.00 1.00 N ATOM 159 CA THR A 11 3.363 5.510 2.714 1.00 1.00 C ATOM 160 C THR A 11 2.155 4.705 3.185 1.00 1.00 C ATOM 161 O THR A 11 1.547 5.023 4.208 1.00 1.00 O ATOM 162 CB THR A 11 4.566 5.226 3.621 1.00 1.00 C ATOM 163 OG1 THR A 11 5.765 5.421 2.886 1.00 1.00 O ATOM 164 CG2 THR A 11 4.512 3.783 4.132 1.00 1.00 C ATOM 0 H THR A 11 2.351 7.211 3.408 1.00 1.00 H new ATOM 0 HA THR A 11 3.603 5.213 1.693 1.00 1.00 H new ATOM 0 HB THR A 11 4.539 5.906 4.472 1.00 1.00 H new ATOM 0 HG1 THR A 11 5.605 6.062 2.162 1.00 1.00 H new ATOM 0 HG21 THR A 11 5.371 3.592 4.775 1.00 1.00 H new ATOM 0 HG22 THR A 11 3.594 3.632 4.699 1.00 1.00 H new ATOM 0 HG23 THR A 11 4.533 3.096 3.286 1.00 1.00 H new ATOM 172 N ILE A 12 1.816 3.663 2.431 1.00 1.00 N ATOM 173 CA ILE A 12 0.681 2.816 2.777 1.00 1.00 C ATOM 174 C ILE A 12 1.166 1.470 3.308 1.00 1.00 C ATOM 175 O ILE A 12 1.973 0.795 2.668 1.00 1.00 O ATOM 176 CB ILE A 12 -0.198 2.595 1.547 1.00 1.00 C ATOM 177 CG1 ILE A 12 0.690 2.388 0.317 1.00 1.00 C ATOM 178 CG2 ILE A 12 -1.090 3.819 1.330 1.00 1.00 C ATOM 179 CD1 ILE A 12 -0.018 1.461 -0.674 1.00 1.00 C ATOM 0 H ILE A 12 2.308 3.387 1.581 1.00 1.00 H new ATOM 0 HA ILE A 12 0.099 3.314 3.553 1.00 1.00 H new ATOM 0 HB ILE A 12 -0.821 1.714 1.700 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.905 3.347 -0.155 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.646 1.958 0.614 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -1.717 3.661 0.452 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -1.722 3.968 2.205 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -0.467 4.701 1.177 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.614 1.314 -1.550 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -0.210 0.499 -0.199 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.963 1.909 -0.980 1.00 1.00 H new ATOM 191 N ILE A 13 0.673 1.090 4.482 1.00 1.00 N ATOM 192 CA ILE A 13 1.067 -0.177 5.092 1.00 1.00 C ATOM 193 C ILE A 13 -0.029 -1.224 4.915 1.00 1.00 C ATOM 194 O ILE A 13 -1.218 -0.906 4.950 1.00 1.00 O ATOM 195 CB ILE A 13 1.368 0.028 6.583 1.00 1.00 C ATOM 196 CG1 ILE A 13 2.482 -0.930 7.009 1.00 1.00 C ATOM 197 CG2 ILE A 13 0.116 -0.246 7.427 1.00 1.00 C ATOM 198 CD1 ILE A 13 2.637 -0.892 8.531 1.00 1.00 C ATOM 0 H ILE A 13 0.005 1.635 5.027 1.00 1.00 H new ATOM 0 HA ILE A 13 1.968 -0.535 4.594 1.00 1.00 H new ATOM 0 HB ILE A 13 1.680 1.060 6.740 1.00 1.00 H new ATOM 0 HG12 ILE A 13 2.249 -1.943 6.682 1.00 1.00 H new ATOM 0 HG13 ILE A 13 3.420 -0.649 6.531 1.00 1.00 H new ATOM 0 HG21 ILE A 13 0.348 -0.096 8.481 1.00 1.00 H new ATOM 0 HG22 ILE A 13 -0.680 0.437 7.130 1.00 1.00 H new ATOM 0 HG23 ILE A 13 -0.211 -1.274 7.270 1.00 1.00 H new ATOM 0 HD11 ILE A 13 3.431 -1.575 8.833 1.00 1.00 H new ATOM 0 HD12 ILE A 13 2.890 0.120 8.846 1.00 1.00 H new ATOM 0 HD13 ILE A 13 1.701 -1.194 9.000 1.00 1.00 H new ATOM 210 N LEU A 14 0.382 -2.473 4.724 1.00 1.00 N ATOM 211 CA LEU A 14 -0.572 -3.560 4.543 1.00 1.00 C ATOM 212 C LEU A 14 -0.722 -4.353 5.836 1.00 1.00 C ATOM 213 O LEU A 14 0.222 -4.461 6.621 1.00 1.00 O ATOM 214 CB LEU A 14 -0.106 -4.488 3.419 1.00 1.00 C ATOM 215 CG LEU A 14 0.522 -3.661 2.295 1.00 1.00 C ATOM 216 CD1 LEU A 14 0.908 -4.584 1.137 1.00 1.00 C ATOM 217 CD2 LEU A 14 -0.488 -2.622 1.802 1.00 1.00 C ATOM 0 H LEU A 14 1.361 -2.756 4.691 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.538 -3.132 4.276 1.00 1.00 H new ATOM 0 HB2 LEU A 14 0.618 -5.206 3.804 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -0.949 -5.061 3.034 1.00 1.00 H new ATOM 0 HG LEU A 14 1.412 -3.155 2.670 1.00 1.00 H new ATOM 0 HD11 LEU A 14 1.355 -3.995 0.336 1.00 1.00 H new ATOM 0 HD12 LEU A 14 1.626 -5.326 1.487 1.00 1.00 H new ATOM 0 HD13 LEU A 14 0.018 -5.089 0.762 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -0.042 -2.032 1.001 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -1.377 -3.128 1.427 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -0.765 -1.964 2.626 1.00 1.00 H new ATOM 229 N ARG A 15 -1.915 -4.899 6.052 1.00 1.00 N ATOM 230 CA ARG A 15 -2.188 -5.676 7.256 1.00 1.00 C ATOM 231 C ARG A 15 -2.817 -7.016 6.893 1.00 1.00 C ATOM 232 O ARG A 15 -3.502 -7.131 5.878 1.00 1.00 O ATOM 233 CB ARG A 15 -3.129 -4.882 8.170 1.00 1.00 C ATOM 234 CG ARG A 15 -3.848 -5.816 9.149 1.00 1.00 C ATOM 235 CD ARG A 15 -4.468 -4.990 10.285 1.00 1.00 C ATOM 236 NE ARG A 15 -3.623 -5.050 11.479 1.00 1.00 N ATOM 237 CZ ARG A 15 -2.687 -4.138 11.722 1.00 1.00 C ATOM 238 NH1 ARG A 15 -2.509 -3.149 10.890 1.00 1.00 N ATOM 239 NH2 ARG A 15 -1.948 -4.231 12.793 1.00 1.00 N ATOM 0 H ARG A 15 -2.705 -4.818 5.412 1.00 1.00 H new ATOM 0 HA ARG A 15 -1.251 -5.867 7.778 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -2.561 -4.134 8.723 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -3.861 -4.345 7.568 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -4.624 -6.378 8.629 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -3.146 -6.544 9.556 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -4.587 -3.954 9.967 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -5.464 -5.368 10.517 1.00 1.00 H new ATOM 0 HE ARG A 15 -3.756 -5.813 12.143 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -3.088 -3.076 10.053 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -1.791 -2.449 11.076 1.00 1.00 H new ATOM 0 HH21 ARG A 15 -2.088 -5.004 13.444 1.00 1.00 H new ATOM 0 HH22 ARG A 15 -1.230 -3.531 12.979 1.00 1.00 H new ATOM 253 N ASN A 16 -2.576 -8.017 7.734 1.00 1.00 N ATOM 254 CA ASN A 16 -3.118 -9.355 7.516 1.00 1.00 C ATOM 255 C ASN A 16 -2.469 -10.021 6.306 1.00 1.00 C ATOM 256 O ASN A 16 -3.157 -10.458 5.384 1.00 1.00 O ATOM 257 CB ASN A 16 -4.630 -9.278 7.314 1.00 1.00 C ATOM 258 CG ASN A 16 -5.260 -10.650 7.521 1.00 1.00 C ATOM 259 OD1 ASN A 16 -4.800 -11.428 8.357 1.00 1.00 O ATOM 260 ND2 ASN A 16 -6.301 -10.990 6.812 1.00 1.00 N ATOM 0 H ASN A 16 -2.007 -7.927 8.576 1.00 1.00 H new ATOM 0 HA ASN A 16 -2.898 -9.958 8.397 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -5.062 -8.562 8.014 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -4.852 -8.916 6.310 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -6.736 -11.902 6.950 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -6.680 -10.343 6.120 1.00 1.00 H new ATOM 267 N ILE A 17 -1.142 -10.106 6.321 1.00 1.00 N ATOM 268 CA ILE A 17 -0.413 -10.729 5.223 1.00 1.00 C ATOM 269 C ILE A 17 -0.112 -12.190 5.547 1.00 1.00 C ATOM 270 O ILE A 17 0.317 -12.514 6.654 1.00 1.00 O ATOM 271 CB ILE A 17 0.902 -9.984 4.977 1.00 1.00 C ATOM 272 CG1 ILE A 17 0.630 -8.484 4.786 1.00 1.00 C ATOM 273 CG2 ILE A 17 1.588 -10.549 3.733 1.00 1.00 C ATOM 274 CD1 ILE A 17 -0.423 -8.265 3.695 1.00 1.00 C ATOM 0 H ILE A 17 -0.554 -9.754 7.076 1.00 1.00 H new ATOM 0 HA ILE A 17 -1.032 -10.681 4.327 1.00 1.00 H new ATOM 0 HB ILE A 17 1.554 -10.118 5.840 1.00 1.00 H new ATOM 0 HG12 ILE A 17 0.286 -8.048 5.724 1.00 1.00 H new ATOM 0 HG13 ILE A 17 1.554 -7.972 4.516 1.00 1.00 H new ATOM 0 HG21 ILE A 17 2.524 -10.017 3.560 1.00 1.00 H new ATOM 0 HG22 ILE A 17 1.795 -11.609 3.881 1.00 1.00 H new ATOM 0 HG23 ILE A 17 0.935 -10.425 2.869 1.00 1.00 H new ATOM 0 HD11 ILE A 17 -0.604 -7.197 3.573 1.00 1.00 H new ATOM 0 HD12 ILE A 17 -0.064 -8.682 2.754 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -1.351 -8.760 3.981 1.00 1.00 H new ATOM 286 N ALA A 18 -0.339 -13.067 4.575 1.00 1.00 N ATOM 287 CA ALA A 18 -0.087 -14.491 4.770 1.00 1.00 C ATOM 288 C ALA A 18 1.414 -14.779 4.785 1.00 1.00 C ATOM 289 O ALA A 18 2.214 -13.957 4.335 1.00 1.00 O ATOM 290 CB ALA A 18 -0.752 -15.298 3.652 1.00 1.00 C ATOM 0 H ALA A 18 -0.694 -12.820 3.651 1.00 1.00 H new ATOM 0 HA ALA A 18 -0.509 -14.784 5.731 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -0.559 -16.360 3.805 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -1.827 -15.119 3.664 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -0.344 -14.990 2.689 1.00 1.00 H new ATOM 296 N PRO A 19 1.806 -15.920 5.291 1.00 1.00 N ATOM 297 CA PRO A 19 3.245 -16.321 5.365 1.00 1.00 C ATOM 298 C PRO A 19 3.819 -16.673 3.993 1.00 1.00 C ATOM 299 O PRO A 19 5.009 -16.962 3.866 1.00 1.00 O ATOM 300 CB PRO A 19 3.229 -17.552 6.274 1.00 1.00 C ATOM 301 CG PRO A 19 1.861 -18.130 6.129 1.00 1.00 C ATOM 302 CD PRO A 19 0.922 -16.958 5.851 1.00 1.00 C ATOM 0 HA PRO A 19 3.874 -15.513 5.737 1.00 1.00 H new ATOM 0 HB2 PRO A 19 3.993 -18.270 5.977 1.00 1.00 H new ATOM 0 HB3 PRO A 19 3.433 -17.279 7.309 1.00 1.00 H new ATOM 0 HG2 PRO A 19 1.830 -18.854 5.314 1.00 1.00 H new ATOM 0 HG3 PRO A 19 1.565 -18.658 7.036 1.00 1.00 H new ATOM 0 HD2 PRO A 19 0.135 -17.234 5.149 1.00 1.00 H new ATOM 0 HD3 PRO A 19 0.430 -16.615 6.762 1.00 1.00 H new ATOM 310 N HIS A 20 2.964 -16.655 2.974 1.00 1.00 N ATOM 311 CA HIS A 20 3.395 -16.983 1.617 1.00 1.00 C ATOM 312 C HIS A 20 3.505 -15.724 0.764 1.00 1.00 C ATOM 313 O HIS A 20 3.435 -15.788 -0.465 1.00 1.00 O ATOM 314 CB HIS A 20 2.393 -17.945 0.978 1.00 1.00 C ATOM 315 CG HIS A 20 3.084 -18.768 -0.076 1.00 1.00 C ATOM 316 ND1 HIS A 20 3.292 -18.297 -1.363 1.00 1.00 N ATOM 317 CD2 HIS A 20 3.612 -20.034 -0.050 1.00 1.00 C ATOM 318 CE1 HIS A 20 3.921 -19.265 -2.053 1.00 1.00 C ATOM 319 NE2 HIS A 20 4.140 -20.347 -1.300 1.00 1.00 N ATOM 0 H HIS A 20 1.975 -16.419 3.060 1.00 1.00 H new ATOM 0 HA HIS A 20 4.377 -17.454 1.671 1.00 1.00 H new ATOM 0 HB2 HIS A 20 1.963 -18.597 1.739 1.00 1.00 H new ATOM 0 HB3 HIS A 20 1.569 -17.386 0.535 1.00 1.00 H new ATOM 0 HD1 HIS A 20 3.018 -17.382 -1.722 1.00 1.00 H new ATOM 0 HD2 HIS A 20 3.617 -20.688 0.809 1.00 1.00 H new ATOM 0 HE1 HIS A 20 4.213 -19.178 -3.089 1.00 1.00 H new ATOM 327 N THR A 21 3.673 -14.581 1.417 1.00 1.00 N ATOM 328 CA THR A 21 3.788 -13.314 0.703 1.00 1.00 C ATOM 329 C THR A 21 5.238 -13.046 0.312 1.00 1.00 C ATOM 330 O THR A 21 6.141 -13.131 1.143 1.00 1.00 O ATOM 331 CB THR A 21 3.270 -12.173 1.579 1.00 1.00 C ATOM 332 OG1 THR A 21 1.852 -12.233 1.636 1.00 1.00 O ATOM 333 CG2 THR A 21 3.703 -10.832 0.980 1.00 1.00 C ATOM 0 H THR A 21 3.732 -14.504 2.432 1.00 1.00 H new ATOM 0 HA THR A 21 3.188 -13.374 -0.205 1.00 1.00 H new ATOM 0 HB THR A 21 3.680 -12.268 2.585 1.00 1.00 H new ATOM 0 HG1 THR A 21 1.472 -11.578 1.014 1.00 1.00 H new ATOM 0 HG21 THR A 21 3.334 -10.018 1.604 1.00 1.00 H new ATOM 0 HG22 THR A 21 4.791 -10.789 0.934 1.00 1.00 H new ATOM 0 HG23 THR A 21 3.293 -10.733 -0.025 1.00 1.00 H new ATOM 341 N VAL A 22 5.450 -12.718 -0.959 1.00 1.00 N ATOM 342 CA VAL A 22 6.792 -12.435 -1.455 1.00 1.00 C ATOM 343 C VAL A 22 6.785 -11.186 -2.329 1.00 1.00 C ATOM 344 O VAL A 22 5.840 -10.949 -3.083 1.00 1.00 O ATOM 345 CB VAL A 22 7.312 -13.624 -2.265 1.00 1.00 C ATOM 346 CG1 VAL A 22 8.320 -14.412 -1.426 1.00 1.00 C ATOM 347 CG2 VAL A 22 6.142 -14.533 -2.641 1.00 1.00 C ATOM 0 H VAL A 22 4.714 -12.642 -1.661 1.00 1.00 H new ATOM 0 HA VAL A 22 7.447 -12.265 -0.601 1.00 1.00 H new ATOM 0 HB VAL A 22 7.798 -13.262 -3.171 1.00 1.00 H new ATOM 0 HG11 VAL A 22 8.690 -15.259 -2.003 1.00 1.00 H new ATOM 0 HG12 VAL A 22 9.154 -13.764 -1.156 1.00 1.00 H new ATOM 0 HG13 VAL A 22 7.835 -14.775 -0.520 1.00 1.00 H new ATOM 0 HG21 VAL A 22 6.511 -15.381 -3.218 1.00 1.00 H new ATOM 0 HG22 VAL A 22 5.656 -14.895 -1.735 1.00 1.00 H new ATOM 0 HG23 VAL A 22 5.423 -13.972 -3.239 1.00 1.00 H new ATOM 357 N VAL A 23 7.843 -10.389 -2.226 1.00 1.00 N ATOM 358 CA VAL A 23 7.947 -9.166 -3.015 1.00 1.00 C ATOM 359 C VAL A 23 7.556 -9.429 -4.465 1.00 1.00 C ATOM 360 O VAL A 23 7.149 -8.514 -5.184 1.00 1.00 O ATOM 361 CB VAL A 23 9.378 -8.630 -2.958 1.00 1.00 C ATOM 362 CG1 VAL A 23 9.377 -7.135 -3.277 1.00 1.00 C ATOM 363 CG2 VAL A 23 9.950 -8.852 -1.557 1.00 1.00 C ATOM 0 H VAL A 23 8.636 -10.565 -1.609 1.00 1.00 H new ATOM 0 HA VAL A 23 7.265 -8.426 -2.597 1.00 1.00 H new ATOM 0 HB VAL A 23 9.992 -9.156 -3.689 1.00 1.00 H new ATOM 0 HG11 VAL A 23 10.397 -6.754 -3.236 1.00 1.00 H new ATOM 0 HG12 VAL A 23 8.970 -6.976 -4.276 1.00 1.00 H new ATOM 0 HG13 VAL A 23 8.763 -6.608 -2.547 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.970 -8.470 -1.516 1.00 1.00 H new ATOM 0 HG22 VAL A 23 9.336 -8.326 -0.826 1.00 1.00 H new ATOM 0 HG23 VAL A 23 9.952 -9.918 -1.330 1.00 1.00 H new ATOM 373 N ASP A 24 7.683 -10.681 -4.889 1.00 1.00 N ATOM 374 CA ASP A 24 7.341 -11.055 -6.257 1.00 1.00 C ATOM 375 C ASP A 24 5.837 -10.934 -6.490 1.00 1.00 C ATOM 376 O ASP A 24 5.399 -10.406 -7.513 1.00 1.00 O ATOM 377 CB ASP A 24 7.786 -12.492 -6.531 1.00 1.00 C ATOM 378 CG ASP A 24 7.859 -12.740 -8.033 1.00 1.00 C ATOM 379 OD1 ASP A 24 6.930 -12.355 -8.724 1.00 1.00 O ATOM 380 OD2 ASP A 24 8.843 -13.315 -8.472 1.00 1.00 O ATOM 0 H ASP A 24 8.018 -11.451 -4.310 1.00 1.00 H new ATOM 0 HA ASP A 24 7.857 -10.377 -6.937 1.00 1.00 H new ATOM 0 HB2 ASP A 24 8.760 -12.672 -6.077 1.00 1.00 H new ATOM 0 HB3 ASP A 24 7.087 -13.191 -6.073 1.00 1.00 H new ATOM 385 N SER A 25 5.053 -11.429 -5.538 1.00 1.00 N ATOM 386 CA SER A 25 3.600 -11.373 -5.653 1.00 1.00 C ATOM 387 C SER A 25 3.100 -9.941 -5.482 1.00 1.00 C ATOM 388 O SER A 25 2.326 -9.442 -6.298 1.00 1.00 O ATOM 389 CB SER A 25 2.958 -12.268 -4.594 1.00 1.00 C ATOM 390 OG SER A 25 3.559 -13.556 -4.642 1.00 1.00 O ATOM 0 H SER A 25 5.396 -11.870 -4.685 1.00 1.00 H new ATOM 0 HA SER A 25 3.321 -11.726 -6.646 1.00 1.00 H new ATOM 0 HB2 SER A 25 3.087 -11.830 -3.604 1.00 1.00 H new ATOM 0 HB3 SER A 25 1.885 -12.348 -4.770 1.00 1.00 H new ATOM 0 HG SER A 25 3.151 -14.133 -3.963 1.00 1.00 H new ATOM 396 N ILE A 26 3.548 -9.288 -4.415 1.00 1.00 N ATOM 397 CA ILE A 26 3.138 -7.914 -4.145 1.00 1.00 C ATOM 398 C ILE A 26 3.439 -7.018 -5.342 1.00 1.00 C ATOM 399 O ILE A 26 2.804 -5.980 -5.528 1.00 1.00 O ATOM 400 CB ILE A 26 3.874 -7.383 -2.914 1.00 1.00 C ATOM 401 CG1 ILE A 26 3.403 -8.146 -1.667 1.00 1.00 C ATOM 402 CG2 ILE A 26 3.593 -5.887 -2.752 1.00 1.00 C ATOM 403 CD1 ILE A 26 2.188 -7.449 -1.043 1.00 1.00 C ATOM 0 H ILE A 26 4.190 -9.684 -3.728 1.00 1.00 H new ATOM 0 HA ILE A 26 2.064 -7.906 -3.960 1.00 1.00 H new ATOM 0 HB ILE A 26 4.947 -7.530 -3.039 1.00 1.00 H new ATOM 0 HG12 ILE A 26 3.145 -9.170 -1.935 1.00 1.00 H new ATOM 0 HG13 ILE A 26 4.212 -8.201 -0.939 1.00 1.00 H new ATOM 0 HG21 ILE A 26 4.119 -5.511 -1.874 1.00 1.00 H new ATOM 0 HG22 ILE A 26 3.938 -5.354 -3.638 1.00 1.00 H new ATOM 0 HG23 ILE A 26 2.522 -5.729 -2.629 1.00 1.00 H new ATOM 0 HD11 ILE A 26 1.865 -8.001 -0.160 1.00 1.00 H new ATOM 0 HD12 ILE A 26 2.459 -6.433 -0.757 1.00 1.00 H new ATOM 0 HD13 ILE A 26 1.375 -7.417 -1.768 1.00 1.00 H new ATOM 415 N MET A 27 4.410 -7.426 -6.152 1.00 1.00 N ATOM 416 CA MET A 27 4.789 -6.653 -7.328 1.00 1.00 C ATOM 417 C MET A 27 3.747 -6.802 -8.431 1.00 1.00 C ATOM 418 O MET A 27 3.181 -5.815 -8.904 1.00 1.00 O ATOM 419 CB MET A 27 6.150 -7.124 -7.844 1.00 1.00 C ATOM 420 CG MET A 27 7.265 -6.461 -7.031 1.00 1.00 C ATOM 421 SD MET A 27 7.816 -4.958 -7.875 1.00 1.00 S ATOM 422 CE MET A 27 9.505 -4.939 -7.226 1.00 1.00 C ATOM 0 H MET A 27 4.946 -8.283 -6.017 1.00 1.00 H new ATOM 0 HA MET A 27 4.849 -5.603 -7.043 1.00 1.00 H new ATOM 0 HB2 MET A 27 6.225 -8.209 -7.765 1.00 1.00 H new ATOM 0 HB3 MET A 27 6.257 -6.873 -8.899 1.00 1.00 H new ATOM 0 HG2 MET A 27 6.905 -6.218 -6.031 1.00 1.00 H new ATOM 0 HG3 MET A 27 8.101 -7.150 -6.910 1.00 1.00 H new ATOM 0 HE1 MET A 27 10.038 -4.076 -7.625 1.00 1.00 H new ATOM 0 HE2 MET A 27 9.476 -4.876 -6.138 1.00 1.00 H new ATOM 0 HE3 MET A 27 10.019 -5.853 -7.523 1.00 1.00 H new ATOM 432 N THR A 28 3.503 -8.041 -8.842 1.00 1.00 N ATOM 433 CA THR A 28 2.532 -8.312 -9.897 1.00 1.00 C ATOM 434 C THR A 28 1.115 -7.979 -9.436 1.00 1.00 C ATOM 435 O THR A 28 0.232 -7.720 -10.256 1.00 1.00 O ATOM 436 CB THR A 28 2.603 -9.786 -10.300 1.00 1.00 C ATOM 437 OG1 THR A 28 3.918 -10.092 -10.741 1.00 1.00 O ATOM 438 CG2 THR A 28 1.609 -10.057 -11.430 1.00 1.00 C ATOM 0 H THR A 28 3.961 -8.870 -8.464 1.00 1.00 H new ATOM 0 HA THR A 28 2.775 -7.683 -10.753 1.00 1.00 H new ATOM 0 HB THR A 28 2.352 -10.409 -9.442 1.00 1.00 H new ATOM 0 HG1 THR A 28 3.965 -11.037 -10.998 1.00 1.00 H new ATOM 0 HG21 THR A 28 1.661 -11.108 -11.716 1.00 1.00 H new ATOM 0 HG22 THR A 28 0.600 -9.823 -11.091 1.00 1.00 H new ATOM 0 HG23 THR A 28 1.857 -9.434 -12.290 1.00 1.00 H new ATOM 446 N ALA A 29 0.899 -8.000 -8.126 1.00 1.00 N ATOM 447 CA ALA A 29 -0.422 -7.711 -7.573 1.00 1.00 C ATOM 448 C ALA A 29 -0.744 -6.220 -7.647 1.00 1.00 C ATOM 449 O ALA A 29 -1.897 -5.839 -7.851 1.00 1.00 O ATOM 450 CB ALA A 29 -0.486 -8.174 -6.116 1.00 1.00 C ATOM 0 H ALA A 29 1.614 -8.212 -7.430 1.00 1.00 H new ATOM 0 HA ALA A 29 -1.160 -8.250 -8.168 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -1.473 -7.956 -5.708 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -0.302 -9.247 -6.067 1.00 1.00 H new ATOM 0 HB3 ALA A 29 0.271 -7.649 -5.534 1.00 1.00 H new ATOM 456 N LEU A 30 0.271 -5.383 -7.468 1.00 1.00 N ATOM 457 CA LEU A 30 0.074 -3.934 -7.506 1.00 1.00 C ATOM 458 C LEU A 30 0.530 -3.352 -8.843 1.00 1.00 C ATOM 459 O LEU A 30 0.584 -2.134 -9.012 1.00 1.00 O ATOM 460 CB LEU A 30 0.855 -3.272 -6.366 1.00 1.00 C ATOM 461 CG LEU A 30 0.142 -3.523 -5.031 1.00 1.00 C ATOM 462 CD1 LEU A 30 1.042 -3.061 -3.883 1.00 1.00 C ATOM 463 CD2 LEU A 30 -1.181 -2.748 -4.975 1.00 1.00 C ATOM 0 H LEU A 30 1.233 -5.677 -7.296 1.00 1.00 H new ATOM 0 HA LEU A 30 -0.991 -3.733 -7.387 1.00 1.00 H new ATOM 0 HB2 LEU A 30 1.868 -3.671 -6.328 1.00 1.00 H new ATOM 0 HB3 LEU A 30 0.941 -2.201 -6.547 1.00 1.00 H new ATOM 0 HG LEU A 30 -0.067 -4.589 -4.939 1.00 1.00 H new ATOM 0 HD11 LEU A 30 0.539 -3.238 -2.932 1.00 1.00 H new ATOM 0 HD12 LEU A 30 1.978 -3.619 -3.907 1.00 1.00 H new ATOM 0 HD13 LEU A 30 1.251 -1.997 -3.990 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -1.674 -2.938 -4.021 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -0.982 -1.681 -5.075 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -1.828 -3.074 -5.789 1.00 1.00 H new ATOM 475 N SER A 31 0.864 -4.226 -9.785 1.00 1.00 N ATOM 476 CA SER A 31 1.323 -3.785 -11.099 1.00 1.00 C ATOM 477 C SER A 31 0.250 -2.978 -11.832 1.00 1.00 C ATOM 478 O SER A 31 0.514 -1.864 -12.284 1.00 1.00 O ATOM 479 CB SER A 31 1.729 -4.992 -11.945 1.00 1.00 C ATOM 480 OG SER A 31 3.136 -4.972 -12.145 1.00 1.00 O ATOM 0 H SER A 31 0.827 -5.238 -9.666 1.00 1.00 H new ATOM 0 HA SER A 31 2.186 -3.137 -10.947 1.00 1.00 H new ATOM 0 HB2 SER A 31 1.434 -5.916 -11.447 1.00 1.00 H new ATOM 0 HB3 SER A 31 1.213 -4.968 -12.905 1.00 1.00 H new ATOM 0 HG SER A 31 3.401 -5.745 -12.686 1.00 1.00 H new ATOM 486 N PRO A 32 -0.945 -3.505 -11.971 1.00 1.00 N ATOM 487 CA PRO A 32 -2.047 -2.795 -12.677 1.00 1.00 C ATOM 488 C PRO A 32 -2.678 -1.708 -11.815 1.00 1.00 C ATOM 489 O PRO A 32 -3.557 -0.975 -12.267 1.00 1.00 O ATOM 490 CB PRO A 32 -3.051 -3.903 -12.982 1.00 1.00 C ATOM 491 CG PRO A 32 -2.846 -4.927 -11.914 1.00 1.00 C ATOM 492 CD PRO A 32 -1.383 -4.824 -11.472 1.00 1.00 C ATOM 0 HA PRO A 32 -1.695 -2.275 -13.568 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -4.072 -3.522 -12.971 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -2.880 -4.327 -13.971 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -3.517 -4.748 -11.074 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -3.066 -5.926 -12.290 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -1.289 -4.891 -10.388 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -0.782 -5.629 -11.894 1.00 1.00 H new ATOM 500 N TYR A 33 -2.224 -1.614 -10.571 1.00 1.00 N ATOM 501 CA TYR A 33 -2.752 -0.615 -9.649 1.00 1.00 C ATOM 502 C TYR A 33 -1.792 0.564 -9.516 1.00 1.00 C ATOM 503 O TYR A 33 -2.212 1.686 -9.233 1.00 1.00 O ATOM 504 CB TYR A 33 -2.987 -1.247 -8.276 1.00 1.00 C ATOM 505 CG TYR A 33 -4.102 -2.259 -8.377 1.00 1.00 C ATOM 506 CD1 TYR A 33 -5.427 -1.863 -8.163 1.00 1.00 C ATOM 507 CD2 TYR A 33 -3.812 -3.595 -8.681 1.00 1.00 C ATOM 508 CE1 TYR A 33 -6.463 -2.800 -8.254 1.00 1.00 C ATOM 509 CE2 TYR A 33 -4.846 -4.533 -8.771 1.00 1.00 C ATOM 510 CZ TYR A 33 -6.172 -4.136 -8.558 1.00 1.00 C ATOM 511 OH TYR A 33 -7.192 -5.061 -8.648 1.00 1.00 O ATOM 0 H TYR A 33 -1.497 -2.212 -10.179 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.698 -0.247 -10.047 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -2.075 -1.728 -7.923 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -3.244 -0.478 -7.548 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -5.651 -0.833 -7.927 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -2.790 -3.901 -8.846 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -7.485 -2.493 -8.090 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -4.622 -5.563 -9.005 1.00 1.00 H new ATOM 0 HH TYR A 33 -6.818 -5.940 -8.867 1.00 1.00 H new ATOM 521 N ALA A 34 -0.503 0.306 -9.722 1.00 1.00 N ATOM 522 CA ALA A 34 0.498 1.360 -9.622 1.00 1.00 C ATOM 523 C ALA A 34 1.901 0.791 -9.805 1.00 1.00 C ATOM 524 O ALA A 34 2.067 -0.404 -10.053 1.00 1.00 O ATOM 525 CB ALA A 34 0.399 2.046 -8.258 1.00 1.00 C ATOM 0 H ALA A 34 -0.131 -0.614 -9.957 1.00 1.00 H new ATOM 0 HA ALA A 34 0.309 2.088 -10.411 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.151 2.833 -8.191 1.00 1.00 H new ATOM 0 HB2 ALA A 34 -0.593 2.481 -8.141 1.00 1.00 H new ATOM 0 HB3 ALA A 34 0.569 1.313 -7.469 1.00 1.00 H new ATOM 531 N SER A 35 2.903 1.655 -9.677 1.00 1.00 N ATOM 532 CA SER A 35 4.293 1.240 -9.826 1.00 1.00 C ATOM 533 C SER A 35 5.045 1.425 -8.512 1.00 1.00 C ATOM 534 O SER A 35 4.965 2.483 -7.888 1.00 1.00 O ATOM 535 CB SER A 35 4.970 2.062 -10.922 1.00 1.00 C ATOM 536 OG SER A 35 6.198 1.443 -11.284 1.00 1.00 O ATOM 0 H SER A 35 2.778 2.646 -9.471 1.00 1.00 H new ATOM 0 HA SER A 35 4.312 0.186 -10.101 1.00 1.00 H new ATOM 0 HB2 SER A 35 4.317 2.137 -11.792 1.00 1.00 H new ATOM 0 HB3 SER A 35 5.151 3.078 -10.571 1.00 1.00 H new ATOM 0 HG SER A 35 6.634 1.967 -11.988 1.00 1.00 H new ATOM 542 N LEU A 36 5.769 0.389 -8.102 1.00 1.00 N ATOM 543 CA LEU A 36 6.532 0.441 -6.858 1.00 1.00 C ATOM 544 C LEU A 36 8.028 0.435 -7.150 1.00 1.00 C ATOM 545 O LEU A 36 8.444 0.440 -8.308 1.00 1.00 O ATOM 546 CB LEU A 36 6.176 -0.752 -5.967 1.00 1.00 C ATOM 547 CG LEU A 36 5.351 -1.773 -6.757 1.00 1.00 C ATOM 548 CD1 LEU A 36 5.248 -3.071 -5.956 1.00 1.00 C ATOM 549 CD2 LEU A 36 3.942 -1.224 -7.003 1.00 1.00 C ATOM 0 H LEU A 36 5.844 -0.493 -8.609 1.00 1.00 H new ATOM 0 HA LEU A 36 6.277 1.364 -6.338 1.00 1.00 H new ATOM 0 HB2 LEU A 36 7.086 -1.220 -5.593 1.00 1.00 H new ATOM 0 HB3 LEU A 36 5.612 -0.411 -5.098 1.00 1.00 H new ATOM 0 HG LEU A 36 5.839 -1.964 -7.713 1.00 1.00 H new ATOM 0 HD11 LEU A 36 4.661 -3.799 -6.516 1.00 1.00 H new ATOM 0 HD12 LEU A 36 6.247 -3.469 -5.779 1.00 1.00 H new ATOM 0 HD13 LEU A 36 4.762 -2.872 -5.001 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.360 -1.954 -7.565 1.00 1.00 H new ATOM 0 HD22 LEU A 36 3.455 -1.030 -6.047 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.007 -0.296 -7.572 1.00 1.00 H new ATOM 561 N ALA A 37 8.832 0.426 -6.091 1.00 1.00 N ATOM 562 CA ALA A 37 10.282 0.423 -6.249 1.00 1.00 C ATOM 563 C ALA A 37 10.937 -0.404 -5.147 1.00 1.00 C ATOM 564 O ALA A 37 10.645 -0.227 -3.964 1.00 1.00 O ATOM 565 CB ALA A 37 10.812 1.861 -6.211 1.00 1.00 C ATOM 0 H ALA A 37 8.508 0.421 -5.124 1.00 1.00 H new ATOM 0 HA ALA A 37 10.528 -0.025 -7.212 1.00 1.00 H new ATOM 0 HB1 ALA A 37 11.896 1.853 -6.329 1.00 1.00 H new ATOM 0 HB2 ALA A 37 10.363 2.436 -7.021 1.00 1.00 H new ATOM 0 HB3 ALA A 37 10.555 2.318 -5.256 1.00 1.00 H new ATOM 571 N VAL A 38 11.819 -1.316 -5.546 1.00 1.00 N ATOM 572 CA VAL A 38 12.509 -2.179 -4.591 1.00 1.00 C ATOM 573 C VAL A 38 13.105 -1.370 -3.440 1.00 1.00 C ATOM 574 O VAL A 38 13.075 -1.803 -2.287 1.00 1.00 O ATOM 575 CB VAL A 38 13.624 -2.945 -5.303 1.00 1.00 C ATOM 576 CG1 VAL A 38 14.457 -3.711 -4.272 1.00 1.00 C ATOM 577 CG2 VAL A 38 13.010 -3.934 -6.296 1.00 1.00 C ATOM 0 H VAL A 38 12.073 -1.477 -6.521 1.00 1.00 H new ATOM 0 HA VAL A 38 11.780 -2.877 -4.178 1.00 1.00 H new ATOM 0 HB VAL A 38 14.263 -2.242 -5.837 1.00 1.00 H new ATOM 0 HG11 VAL A 38 15.252 -4.257 -4.780 1.00 1.00 H new ATOM 0 HG12 VAL A 38 14.895 -3.008 -3.563 1.00 1.00 H new ATOM 0 HG13 VAL A 38 13.818 -4.414 -3.738 1.00 1.00 H new ATOM 0 HG21 VAL A 38 13.805 -4.480 -6.804 1.00 1.00 H new ATOM 0 HG22 VAL A 38 12.371 -4.637 -5.762 1.00 1.00 H new ATOM 0 HG23 VAL A 38 12.416 -3.390 -7.031 1.00 1.00 H new ATOM 587 N ASN A 39 13.660 -0.204 -3.759 1.00 1.00 N ATOM 588 CA ASN A 39 14.278 0.646 -2.743 1.00 1.00 C ATOM 589 C ASN A 39 13.232 1.467 -1.988 1.00 1.00 C ATOM 590 O ASN A 39 13.581 2.281 -1.132 1.00 1.00 O ATOM 591 CB ASN A 39 15.284 1.590 -3.402 1.00 1.00 C ATOM 592 CG ASN A 39 14.701 2.152 -4.693 1.00 1.00 C ATOM 593 OD1 ASN A 39 13.920 3.103 -4.662 1.00 1.00 O ATOM 594 ND2 ASN A 39 15.034 1.614 -5.837 1.00 1.00 N ATOM 0 H ASN A 39 13.695 0.173 -4.706 1.00 1.00 H new ATOM 0 HA ASN A 39 14.785 -0.002 -2.028 1.00 1.00 H new ATOM 0 HB2 ASN A 39 15.532 2.404 -2.721 1.00 1.00 H new ATOM 0 HB3 ASN A 39 16.211 1.057 -3.613 1.00 1.00 H new ATOM 0 HD21 ASN A 39 14.647 1.982 -6.706 1.00 1.00 H new ATOM 0 HD22 ASN A 39 15.681 0.826 -5.861 1.00 1.00 H new ATOM 601 N ASN A 40 11.961 1.254 -2.312 1.00 1.00 N ATOM 602 CA ASN A 40 10.875 1.989 -1.657 1.00 1.00 C ATOM 603 C ASN A 40 9.968 1.038 -0.877 1.00 1.00 C ATOM 604 O ASN A 40 8.978 1.465 -0.283 1.00 1.00 O ATOM 605 CB ASN A 40 10.046 2.737 -2.709 1.00 1.00 C ATOM 606 CG ASN A 40 9.760 4.175 -2.277 1.00 1.00 C ATOM 607 OD1 ASN A 40 9.915 4.529 -1.108 1.00 1.00 O ATOM 608 ND2 ASN A 40 9.336 5.027 -3.169 1.00 1.00 N ATOM 0 H ASN A 40 11.655 0.585 -3.018 1.00 1.00 H new ATOM 0 HA ASN A 40 11.315 2.702 -0.960 1.00 1.00 H new ATOM 0 HB2 ASN A 40 10.580 2.741 -3.659 1.00 1.00 H new ATOM 0 HB3 ASN A 40 9.105 2.211 -2.874 1.00 1.00 H new ATOM 0 HD21 ASN A 40 9.132 5.989 -2.899 1.00 1.00 H new ATOM 0 HD22 ASN A 40 9.208 4.731 -4.137 1.00 1.00 H new ATOM 615 N ILE A 41 10.307 -0.250 -0.879 1.00 1.00 N ATOM 616 CA ILE A 41 9.515 -1.241 -0.169 1.00 1.00 C ATOM 617 C ILE A 41 10.420 -2.166 0.639 1.00 1.00 C ATOM 618 O ILE A 41 11.389 -2.715 0.117 1.00 1.00 O ATOM 619 CB ILE A 41 8.688 -2.056 -1.162 1.00 1.00 C ATOM 620 CG1 ILE A 41 9.608 -2.950 -2.000 1.00 1.00 C ATOM 621 CG2 ILE A 41 7.921 -1.111 -2.087 1.00 1.00 C ATOM 622 CD1 ILE A 41 8.837 -3.488 -3.206 1.00 1.00 C ATOM 0 H ILE A 41 11.122 -0.626 -1.363 1.00 1.00 H new ATOM 0 HA ILE A 41 8.843 -0.725 0.517 1.00 1.00 H new ATOM 0 HB ILE A 41 7.985 -2.680 -0.610 1.00 1.00 H new ATOM 0 HG12 ILE A 41 10.477 -2.384 -2.334 1.00 1.00 H new ATOM 0 HG13 ILE A 41 9.980 -3.777 -1.394 1.00 1.00 H new ATOM 0 HG21 ILE A 41 7.332 -1.694 -2.795 1.00 1.00 H new ATOM 0 HG22 ILE A 41 7.258 -0.481 -1.495 1.00 1.00 H new ATOM 0 HG23 ILE A 41 8.626 -0.484 -2.632 1.00 1.00 H new ATOM 0 HD11 ILE A 41 9.492 -4.124 -3.802 1.00 1.00 H new ATOM 0 HD12 ILE A 41 7.982 -4.069 -2.861 1.00 1.00 H new ATOM 0 HD13 ILE A 41 8.487 -2.655 -3.816 1.00 1.00 H new ATOM 634 N ARG A 42 10.097 -2.327 1.919 1.00 1.00 N ATOM 635 CA ARG A 42 10.888 -3.183 2.797 1.00 1.00 C ATOM 636 C ARG A 42 9.984 -4.114 3.598 1.00 1.00 C ATOM 637 O ARG A 42 9.129 -3.660 4.359 1.00 1.00 O ATOM 638 CB ARG A 42 11.714 -2.325 3.758 1.00 1.00 C ATOM 639 CG ARG A 42 12.834 -3.171 4.365 1.00 1.00 C ATOM 640 CD ARG A 42 13.469 -2.413 5.531 1.00 1.00 C ATOM 641 NE ARG A 42 14.062 -1.167 5.061 1.00 1.00 N ATOM 642 CZ ARG A 42 15.300 -1.131 4.579 1.00 1.00 C ATOM 643 NH1 ARG A 42 16.009 -2.225 4.523 1.00 1.00 N ATOM 644 NH2 ARG A 42 15.805 -0.004 4.161 1.00 1.00 N ATOM 0 H ARG A 42 9.299 -1.879 2.369 1.00 1.00 H new ATOM 0 HA ARG A 42 11.555 -3.784 2.179 1.00 1.00 H new ATOM 0 HB2 ARG A 42 12.136 -1.471 3.228 1.00 1.00 H new ATOM 0 HB3 ARG A 42 11.076 -1.927 4.547 1.00 1.00 H new ATOM 0 HG2 ARG A 42 12.437 -4.125 4.711 1.00 1.00 H new ATOM 0 HG3 ARG A 42 13.587 -3.394 3.609 1.00 1.00 H new ATOM 0 HD2 ARG A 42 12.716 -2.202 6.290 1.00 1.00 H new ATOM 0 HD3 ARG A 42 14.232 -3.032 6.003 1.00 1.00 H new ATOM 0 HE ARG A 42 13.516 -0.306 5.103 1.00 1.00 H new ATOM 0 HH11 ARG A 42 15.613 -3.107 4.849 1.00 1.00 H new ATOM 0 HH12 ARG A 42 16.959 -2.199 4.153 1.00 1.00 H new ATOM 0 HH21 ARG A 42 15.250 0.851 4.204 1.00 1.00 H new ATOM 0 HH22 ARG A 42 16.755 0.023 3.791 1.00 1.00 H new ATOM 658 N LEU A 43 10.185 -5.416 3.431 1.00 1.00 N ATOM 659 CA LEU A 43 9.385 -6.399 4.154 1.00 1.00 C ATOM 660 C LEU A 43 10.054 -6.740 5.481 1.00 1.00 C ATOM 661 O LEU A 43 11.275 -6.879 5.551 1.00 1.00 O ATOM 662 CB LEU A 43 9.232 -7.670 3.316 1.00 1.00 C ATOM 663 CG LEU A 43 7.890 -8.338 3.630 1.00 1.00 C ATOM 664 CD1 LEU A 43 6.810 -7.759 2.717 1.00 1.00 C ATOM 665 CD2 LEU A 43 8.004 -9.845 3.390 1.00 1.00 C ATOM 0 H LEU A 43 10.888 -5.813 2.808 1.00 1.00 H new ATOM 0 HA LEU A 43 8.399 -5.976 4.346 1.00 1.00 H new ATOM 0 HB2 LEU A 43 9.288 -7.426 2.255 1.00 1.00 H new ATOM 0 HB3 LEU A 43 10.050 -8.358 3.529 1.00 1.00 H new ATOM 0 HG LEU A 43 7.625 -8.154 4.671 1.00 1.00 H new ATOM 0 HD11 LEU A 43 5.854 -8.233 2.939 1.00 1.00 H new ATOM 0 HD12 LEU A 43 6.730 -6.685 2.884 1.00 1.00 H new ATOM 0 HD13 LEU A 43 7.075 -7.946 1.676 1.00 1.00 H new ATOM 0 HD21 LEU A 43 7.050 -10.322 3.613 1.00 1.00 H new ATOM 0 HD22 LEU A 43 8.267 -10.029 2.348 1.00 1.00 H new ATOM 0 HD23 LEU A 43 8.777 -10.259 4.038 1.00 1.00 H new ATOM 677 N ILE A 44 9.252 -6.870 6.528 1.00 1.00 N ATOM 678 CA ILE A 44 9.784 -7.193 7.847 1.00 1.00 C ATOM 679 C ILE A 44 9.843 -8.704 8.047 1.00 1.00 C ATOM 680 O ILE A 44 8.832 -9.346 8.330 1.00 1.00 O ATOM 681 CB ILE A 44 8.912 -6.556 8.932 1.00 1.00 C ATOM 682 CG1 ILE A 44 9.470 -6.915 10.312 1.00 1.00 C ATOM 683 CG2 ILE A 44 7.475 -7.072 8.812 1.00 1.00 C ATOM 684 CD1 ILE A 44 9.584 -5.648 11.160 1.00 1.00 C ATOM 0 H ILE A 44 8.239 -6.758 6.493 1.00 1.00 H new ATOM 0 HA ILE A 44 10.796 -6.794 7.920 1.00 1.00 H new ATOM 0 HB ILE A 44 8.917 -5.473 8.807 1.00 1.00 H new ATOM 0 HG12 ILE A 44 8.818 -7.637 10.803 1.00 1.00 H new ATOM 0 HG13 ILE A 44 10.447 -7.386 10.210 1.00 1.00 H new ATOM 0 HG21 ILE A 44 6.859 -6.616 9.587 1.00 1.00 H new ATOM 0 HG22 ILE A 44 7.076 -6.813 7.831 1.00 1.00 H new ATOM 0 HG23 ILE A 44 7.466 -8.155 8.933 1.00 1.00 H new ATOM 0 HD11 ILE A 44 9.981 -5.902 12.143 1.00 1.00 H new ATOM 0 HD12 ILE A 44 10.254 -4.941 10.670 1.00 1.00 H new ATOM 0 HD13 ILE A 44 8.599 -5.196 11.273 1.00 1.00 H new ATOM 696 N LYS A 45 11.039 -9.266 7.892 1.00 1.00 N ATOM 697 CA LYS A 45 11.231 -10.703 8.050 1.00 1.00 C ATOM 698 C LYS A 45 11.892 -11.014 9.389 1.00 1.00 C ATOM 699 O LYS A 45 12.976 -10.514 9.684 1.00 1.00 O ATOM 700 CB LYS A 45 12.105 -11.236 6.913 1.00 1.00 C ATOM 701 CG LYS A 45 11.491 -12.517 6.344 1.00 1.00 C ATOM 702 CD LYS A 45 12.356 -13.031 5.192 1.00 1.00 C ATOM 703 CE LYS A 45 11.714 -12.643 3.858 1.00 1.00 C ATOM 704 NZ LYS A 45 12.718 -12.779 2.764 1.00 1.00 N ATOM 0 H LYS A 45 11.887 -8.749 7.658 1.00 1.00 H new ATOM 0 HA LYS A 45 10.255 -11.187 8.021 1.00 1.00 H new ATOM 0 HB2 LYS A 45 12.195 -10.485 6.128 1.00 1.00 H new ATOM 0 HB3 LYS A 45 13.112 -11.436 7.279 1.00 1.00 H new ATOM 0 HG2 LYS A 45 11.418 -13.275 7.124 1.00 1.00 H new ATOM 0 HG3 LYS A 45 10.478 -12.322 5.993 1.00 1.00 H new ATOM 0 HD2 LYS A 45 13.359 -12.610 5.261 1.00 1.00 H new ATOM 0 HD3 LYS A 45 12.460 -14.114 5.256 1.00 1.00 H new ATOM 0 HE2 LYS A 45 10.853 -13.281 3.657 1.00 1.00 H new ATOM 0 HE3 LYS A 45 11.347 -11.618 3.904 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 12.282 -12.515 1.858 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 13.526 -12.153 2.954 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 13.048 -13.764 2.716 1.00 1.00 H new ATOM 718 N ASP A 46 11.232 -11.847 10.191 1.00 1.00 N ATOM 719 CA ASP A 46 11.768 -12.222 11.495 1.00 1.00 C ATOM 720 C ASP A 46 12.294 -13.652 11.467 1.00 1.00 C ATOM 721 O ASP A 46 11.883 -14.459 10.632 1.00 1.00 O ATOM 722 CB ASP A 46 10.682 -12.098 12.563 1.00 1.00 C ATOM 723 CG ASP A 46 11.055 -11.005 13.558 1.00 1.00 C ATOM 724 OD1 ASP A 46 11.098 -9.855 13.151 1.00 1.00 O ATOM 725 OD2 ASP A 46 11.295 -11.331 14.708 1.00 1.00 O ATOM 0 H ASP A 46 10.333 -12.271 9.963 1.00 1.00 H new ATOM 0 HA ASP A 46 12.591 -11.548 11.734 1.00 1.00 H new ATOM 0 HB2 ASP A 46 9.725 -11.865 12.096 1.00 1.00 H new ATOM 0 HB3 ASP A 46 10.560 -13.049 13.082 1.00 1.00 H new ATOM 730 N LYS A 47 13.201 -13.963 12.387 1.00 1.00 N ATOM 731 CA LYS A 47 13.774 -15.302 12.458 1.00 1.00 C ATOM 732 C LYS A 47 12.862 -16.223 13.265 1.00 1.00 C ATOM 733 O LYS A 47 13.229 -17.352 13.590 1.00 1.00 O ATOM 734 CB LYS A 47 15.160 -15.239 13.112 1.00 1.00 C ATOM 735 CG LYS A 47 15.867 -16.596 12.990 1.00 1.00 C ATOM 736 CD LYS A 47 16.104 -17.177 14.385 1.00 1.00 C ATOM 737 CE LYS A 47 16.650 -18.601 14.258 1.00 1.00 C ATOM 738 NZ LYS A 47 18.017 -18.559 13.666 1.00 1.00 N ATOM 0 H LYS A 47 13.553 -13.312 13.089 1.00 1.00 H new ATOM 0 HA LYS A 47 13.871 -15.699 11.448 1.00 1.00 H new ATOM 0 HB2 LYS A 47 15.760 -14.464 12.635 1.00 1.00 H new ATOM 0 HB3 LYS A 47 15.062 -14.965 14.162 1.00 1.00 H new ATOM 0 HG2 LYS A 47 15.261 -17.281 12.397 1.00 1.00 H new ATOM 0 HG3 LYS A 47 16.817 -16.477 12.468 1.00 1.00 H new ATOM 0 HD2 LYS A 47 16.809 -16.554 14.935 1.00 1.00 H new ATOM 0 HD3 LYS A 47 15.173 -17.182 14.952 1.00 1.00 H new ATOM 0 HE2 LYS A 47 16.681 -19.079 15.237 1.00 1.00 H new ATOM 0 HE3 LYS A 47 15.989 -19.201 13.632 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 18.461 -19.496 13.750 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 17.953 -18.295 12.662 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 18.593 -17.856 14.172 1.00 1.00 H new ATOM 752 N GLN A 48 11.668 -15.732 13.585 1.00 1.00 N ATOM 753 CA GLN A 48 10.711 -16.516 14.357 1.00 1.00 C ATOM 754 C GLN A 48 9.761 -17.271 13.428 1.00 1.00 C ATOM 755 O GLN A 48 9.668 -18.497 13.488 1.00 1.00 O ATOM 756 CB GLN A 48 9.907 -15.597 15.279 1.00 1.00 C ATOM 757 CG GLN A 48 9.091 -16.442 16.260 1.00 1.00 C ATOM 758 CD GLN A 48 9.674 -16.317 17.662 1.00 1.00 C ATOM 759 OE1 GLN A 48 9.849 -15.206 18.167 1.00 1.00 O ATOM 760 NE2 GLN A 48 9.989 -17.394 18.327 1.00 1.00 N ATOM 0 H GLN A 48 11.342 -14.801 13.324 1.00 1.00 H new ATOM 0 HA GLN A 48 11.262 -17.240 14.958 1.00 1.00 H new ATOM 0 HB2 GLN A 48 10.579 -14.935 15.825 1.00 1.00 H new ATOM 0 HB3 GLN A 48 9.244 -14.963 14.690 1.00 1.00 H new ATOM 0 HG2 GLN A 48 8.051 -16.114 16.259 1.00 1.00 H new ATOM 0 HG3 GLN A 48 9.096 -17.486 15.946 1.00 1.00 H new ATOM 0 HE21 GLN A 48 9.844 -18.313 17.908 1.00 1.00 H new ATOM 0 HE22 GLN A 48 10.380 -17.318 19.266 1.00 1.00 H new ATOM 769 N THR A 49 9.061 -16.534 12.571 1.00 1.00 N ATOM 770 CA THR A 49 8.125 -17.151 11.637 1.00 1.00 C ATOM 771 C THR A 49 8.814 -17.441 10.304 1.00 1.00 C ATOM 772 O THR A 49 8.204 -17.981 9.383 1.00 1.00 O ATOM 773 CB THR A 49 6.919 -16.231 11.416 1.00 1.00 C ATOM 774 OG1 THR A 49 7.265 -14.903 11.777 1.00 1.00 O ATOM 775 CG2 THR A 49 5.746 -16.707 12.276 1.00 1.00 C ATOM 0 H THR A 49 9.123 -15.518 12.504 1.00 1.00 H new ATOM 0 HA THR A 49 7.780 -18.093 12.062 1.00 1.00 H new ATOM 0 HB THR A 49 6.630 -16.258 10.365 1.00 1.00 H new ATOM 0 HG1 THR A 49 7.477 -14.389 10.970 1.00 1.00 H new ATOM 0 HG21 THR A 49 4.889 -16.052 12.118 1.00 1.00 H new ATOM 0 HG22 THR A 49 5.480 -17.726 11.996 1.00 1.00 H new ATOM 0 HG23 THR A 49 6.032 -16.682 13.327 1.00 1.00 H new ATOM 783 N GLN A 50 10.095 -17.088 10.218 1.00 1.00 N ATOM 784 CA GLN A 50 10.873 -17.321 9.001 1.00 1.00 C ATOM 785 C GLN A 50 10.246 -16.623 7.799 1.00 1.00 C ATOM 786 O GLN A 50 10.482 -17.010 6.655 1.00 1.00 O ATOM 787 CB GLN A 50 10.970 -18.823 8.726 1.00 1.00 C ATOM 788 CG GLN A 50 12.436 -19.210 8.511 1.00 1.00 C ATOM 789 CD GLN A 50 13.201 -19.104 9.825 1.00 1.00 C ATOM 790 OE1 GLN A 50 14.233 -18.433 9.892 1.00 1.00 O ATOM 791 NE2 GLN A 50 12.758 -19.729 10.881 1.00 1.00 N ATOM 0 H GLN A 50 10.615 -16.641 10.973 1.00 1.00 H new ATOM 0 HA GLN A 50 11.870 -16.908 9.155 1.00 1.00 H new ATOM 0 HB2 GLN A 50 10.554 -19.384 9.563 1.00 1.00 H new ATOM 0 HB3 GLN A 50 10.382 -19.081 7.845 1.00 1.00 H new ATOM 0 HG2 GLN A 50 12.499 -20.227 8.125 1.00 1.00 H new ATOM 0 HG3 GLN A 50 12.887 -18.557 7.764 1.00 1.00 H new ATOM 0 HE21 GLN A 50 11.904 -20.284 10.824 1.00 1.00 H new ATOM 0 HE22 GLN A 50 13.266 -19.663 11.763 1.00 1.00 H new ATOM 800 N GLN A 51 9.458 -15.588 8.065 1.00 1.00 N ATOM 801 CA GLN A 51 8.808 -14.831 6.998 1.00 1.00 C ATOM 802 C GLN A 51 7.999 -13.681 7.588 1.00 1.00 C ATOM 803 O GLN A 51 7.881 -13.563 8.809 1.00 1.00 O ATOM 804 CB GLN A 51 7.887 -15.738 6.172 1.00 1.00 C ATOM 805 CG GLN A 51 6.965 -16.528 7.100 1.00 1.00 C ATOM 806 CD GLN A 51 7.227 -18.024 6.954 1.00 1.00 C ATOM 807 OE1 GLN A 51 8.375 -18.441 6.794 1.00 1.00 O ATOM 808 NE2 GLN A 51 6.227 -18.861 7.004 1.00 1.00 N ATOM 0 H GLN A 51 9.253 -15.253 9.006 1.00 1.00 H new ATOM 0 HA GLN A 51 9.583 -14.430 6.344 1.00 1.00 H new ATOM 0 HB2 GLN A 51 7.295 -15.137 5.482 1.00 1.00 H new ATOM 0 HB3 GLN A 51 8.483 -16.423 5.568 1.00 1.00 H new ATOM 0 HG2 GLN A 51 7.128 -16.222 8.133 1.00 1.00 H new ATOM 0 HG3 GLN A 51 5.924 -16.309 6.863 1.00 1.00 H new ATOM 0 HE21 GLN A 51 5.277 -18.514 7.137 1.00 1.00 H new ATOM 0 HE22 GLN A 51 6.395 -19.863 6.911 1.00 1.00 H new ATOM 817 N ASN A 52 7.450 -12.838 6.716 1.00 1.00 N ATOM 818 CA ASN A 52 6.653 -11.695 7.157 1.00 1.00 C ATOM 819 C ASN A 52 5.832 -12.044 8.395 1.00 1.00 C ATOM 820 O ASN A 52 5.245 -13.123 8.478 1.00 1.00 O ATOM 821 CB ASN A 52 5.706 -11.262 6.038 1.00 1.00 C ATOM 822 CG ASN A 52 4.345 -11.916 6.238 1.00 1.00 C ATOM 823 OD1 ASN A 52 3.403 -11.266 6.693 1.00 1.00 O ATOM 824 ND2 ASN A 52 4.183 -13.173 5.929 1.00 1.00 N ATOM 0 H ASN A 52 7.542 -12.924 5.704 1.00 1.00 H new ATOM 0 HA ASN A 52 7.336 -10.883 7.405 1.00 1.00 H new ATOM 0 HB2 ASN A 52 5.602 -10.177 6.035 1.00 1.00 H new ATOM 0 HB3 ASN A 52 6.118 -11.545 5.069 1.00 1.00 H new ATOM 0 HD21 ASN A 52 3.275 -13.619 6.064 1.00 1.00 H new ATOM 0 HD22 ASN A 52 4.964 -13.710 5.552 1.00 1.00 H new ATOM 831 N ARG A 53 5.788 -11.122 9.355 1.00 1.00 N ATOM 832 CA ARG A 53 5.025 -11.352 10.578 1.00 1.00 C ATOM 833 C ARG A 53 3.604 -10.820 10.417 1.00 1.00 C ATOM 834 O ARG A 53 2.996 -10.344 11.377 1.00 1.00 O ATOM 835 CB ARG A 53 5.695 -10.660 11.769 1.00 1.00 C ATOM 836 CG ARG A 53 6.962 -11.416 12.165 1.00 1.00 C ATOM 837 CD ARG A 53 7.746 -10.590 13.187 1.00 1.00 C ATOM 838 NE ARG A 53 8.420 -11.470 14.135 1.00 1.00 N ATOM 839 CZ ARG A 53 8.772 -11.040 15.343 1.00 1.00 C ATOM 840 NH1 ARG A 53 8.527 -9.807 15.692 1.00 1.00 N ATOM 841 NH2 ARG A 53 9.361 -11.850 16.178 1.00 1.00 N ATOM 0 H ARG A 53 6.265 -10.221 9.311 1.00 1.00 H new ATOM 0 HA ARG A 53 4.993 -12.426 10.764 1.00 1.00 H new ATOM 0 HB2 ARG A 53 5.941 -9.630 11.511 1.00 1.00 H new ATOM 0 HB3 ARG A 53 5.006 -10.621 12.613 1.00 1.00 H new ATOM 0 HG2 ARG A 53 6.703 -12.387 12.587 1.00 1.00 H new ATOM 0 HG3 ARG A 53 7.577 -11.605 11.285 1.00 1.00 H new ATOM 0 HD2 ARG A 53 8.478 -9.965 12.676 1.00 1.00 H new ATOM 0 HD3 ARG A 53 7.071 -9.920 13.719 1.00 1.00 H new ATOM 0 HE ARG A 53 8.625 -12.432 13.867 1.00 1.00 H new ATOM 0 HH11 ARG A 53 8.066 -9.174 15.038 1.00 1.00 H new ATOM 0 HH12 ARG A 53 8.797 -9.476 16.618 1.00 1.00 H new ATOM 0 HH21 ARG A 53 9.552 -12.814 15.905 1.00 1.00 H new ATOM 0 HH22 ARG A 53 9.631 -11.520 17.105 1.00 1.00 H new ATOM 855 N GLY A 54 3.082 -10.904 9.198 1.00 1.00 N ATOM 856 CA GLY A 54 1.733 -10.426 8.919 1.00 1.00 C ATOM 857 C GLY A 54 1.716 -8.914 8.707 1.00 1.00 C ATOM 858 O GLY A 54 0.695 -8.261 8.917 1.00 1.00 O ATOM 0 H GLY A 54 3.569 -11.296 8.392 1.00 1.00 H new ATOM 0 HA2 GLY A 54 1.344 -10.925 8.031 1.00 1.00 H new ATOM 0 HA3 GLY A 54 1.073 -10.687 9.746 1.00 1.00 H new ATOM 862 N PHE A 55 2.854 -8.364 8.290 1.00 1.00 N ATOM 863 CA PHE A 55 2.955 -6.925 8.055 1.00 1.00 C ATOM 864 C PHE A 55 3.938 -6.629 6.921 1.00 1.00 C ATOM 865 O PHE A 55 4.915 -7.353 6.729 1.00 1.00 O ATOM 866 CB PHE A 55 3.419 -6.216 9.331 1.00 1.00 C ATOM 867 CG PHE A 55 2.601 -6.705 10.504 1.00 1.00 C ATOM 868 CD1 PHE A 55 1.253 -6.348 10.612 1.00 1.00 C ATOM 869 CD2 PHE A 55 3.191 -7.513 11.483 1.00 1.00 C ATOM 870 CE1 PHE A 55 0.493 -6.800 11.698 1.00 1.00 C ATOM 871 CE2 PHE A 55 2.433 -7.964 12.570 1.00 1.00 C ATOM 872 CZ PHE A 55 1.083 -7.609 12.676 1.00 1.00 C ATOM 0 H PHE A 55 3.711 -8.886 8.109 1.00 1.00 H new ATOM 0 HA PHE A 55 1.969 -6.556 7.771 1.00 1.00 H new ATOM 0 HB2 PHE A 55 4.477 -6.412 9.505 1.00 1.00 H new ATOM 0 HB3 PHE A 55 3.309 -5.137 9.221 1.00 1.00 H new ATOM 0 HD1 PHE A 55 0.798 -5.723 9.858 1.00 1.00 H new ATOM 0 HD2 PHE A 55 4.232 -7.789 11.400 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -0.548 -6.524 11.781 1.00 1.00 H new ATOM 0 HE2 PHE A 55 2.889 -8.585 13.326 1.00 1.00 H new ATOM 0 HZ PHE A 55 0.497 -7.959 13.513 1.00 1.00 H new ATOM 882 N ALA A 56 3.669 -5.560 6.176 1.00 1.00 N ATOM 883 CA ALA A 56 4.532 -5.174 5.061 1.00 1.00 C ATOM 884 C ALA A 56 4.478 -3.665 4.845 1.00 1.00 C ATOM 885 O ALA A 56 3.405 -3.063 4.881 1.00 1.00 O ATOM 886 CB ALA A 56 4.082 -5.886 3.785 1.00 1.00 C ATOM 0 H ALA A 56 2.866 -4.948 6.322 1.00 1.00 H new ATOM 0 HA ALA A 56 5.556 -5.463 5.299 1.00 1.00 H new ATOM 0 HB1 ALA A 56 4.729 -5.594 2.958 1.00 1.00 H new ATOM 0 HB2 ALA A 56 4.142 -6.965 3.930 1.00 1.00 H new ATOM 0 HB3 ALA A 56 3.053 -5.608 3.556 1.00 1.00 H new ATOM 892 N PHE A 57 5.640 -3.060 4.620 1.00 1.00 N ATOM 893 CA PHE A 57 5.713 -1.619 4.398 1.00 1.00 C ATOM 894 C PHE A 57 5.920 -1.314 2.917 1.00 1.00 C ATOM 895 O PHE A 57 6.796 -1.890 2.271 1.00 1.00 O ATOM 896 CB PHE A 57 6.862 -1.020 5.209 1.00 1.00 C ATOM 897 CG PHE A 57 6.311 -0.317 6.426 1.00 1.00 C ATOM 898 CD1 PHE A 57 5.559 0.854 6.274 1.00 1.00 C ATOM 899 CD2 PHE A 57 6.551 -0.833 7.705 1.00 1.00 C ATOM 900 CE1 PHE A 57 5.047 1.509 7.401 1.00 1.00 C ATOM 901 CE2 PHE A 57 6.039 -0.178 8.832 1.00 1.00 C ATOM 902 CZ PHE A 57 5.287 0.993 8.680 1.00 1.00 C ATOM 0 H PHE A 57 6.539 -3.541 4.587 1.00 1.00 H new ATOM 0 HA PHE A 57 4.772 -1.175 4.722 1.00 1.00 H new ATOM 0 HB2 PHE A 57 7.554 -1.805 5.513 1.00 1.00 H new ATOM 0 HB3 PHE A 57 7.426 -0.318 4.595 1.00 1.00 H new ATOM 0 HD1 PHE A 57 5.374 1.252 5.287 1.00 1.00 H new ATOM 0 HD2 PHE A 57 7.131 -1.736 7.823 1.00 1.00 H new ATOM 0 HE1 PHE A 57 4.467 2.412 7.283 1.00 1.00 H new ATOM 0 HE2 PHE A 57 6.224 -0.576 9.819 1.00 1.00 H new ATOM 0 HZ PHE A 57 4.892 1.498 9.549 1.00 1.00 H new ATOM 912 N VAL A 58 5.107 -0.406 2.387 1.00 1.00 N ATOM 913 CA VAL A 58 5.207 -0.029 0.980 1.00 1.00 C ATOM 914 C VAL A 58 5.066 1.483 0.820 1.00 1.00 C ATOM 915 O VAL A 58 4.072 2.068 1.245 1.00 1.00 O ATOM 916 CB VAL A 58 4.114 -0.727 0.166 1.00 1.00 C ATOM 917 CG1 VAL A 58 4.730 -1.358 -1.082 1.00 1.00 C ATOM 918 CG2 VAL A 58 3.458 -1.819 1.015 1.00 1.00 C ATOM 0 H VAL A 58 4.376 0.080 2.906 1.00 1.00 H new ATOM 0 HA VAL A 58 6.186 -0.338 0.614 1.00 1.00 H new ATOM 0 HB VAL A 58 3.362 0.005 -0.128 1.00 1.00 H new ATOM 0 HG11 VAL A 58 3.951 -1.855 -1.661 1.00 1.00 H new ATOM 0 HG12 VAL A 58 5.195 -0.582 -1.690 1.00 1.00 H new ATOM 0 HG13 VAL A 58 5.484 -2.088 -0.786 1.00 1.00 H new ATOM 0 HG21 VAL A 58 2.680 -2.314 0.433 1.00 1.00 H new ATOM 0 HG22 VAL A 58 4.210 -2.550 1.312 1.00 1.00 H new ATOM 0 HG23 VAL A 58 3.016 -1.371 1.905 1.00 1.00 H new ATOM 928 N GLN A 59 6.066 2.104 0.197 1.00 1.00 N ATOM 929 CA GLN A 59 6.043 3.551 -0.020 1.00 1.00 C ATOM 930 C GLN A 59 5.890 3.860 -1.504 1.00 1.00 C ATOM 931 O GLN A 59 6.286 3.064 -2.357 1.00 1.00 O ATOM 932 CB GLN A 59 7.328 4.192 0.513 1.00 1.00 C ATOM 933 CG GLN A 59 7.427 5.632 0.006 1.00 1.00 C ATOM 934 CD GLN A 59 8.417 6.418 0.859 1.00 1.00 C ATOM 935 OE1 GLN A 59 8.255 7.624 1.049 1.00 1.00 O ATOM 936 NE2 GLN A 59 9.439 5.803 1.390 1.00 1.00 N ATOM 0 H GLN A 59 6.896 1.634 -0.164 1.00 1.00 H new ATOM 0 HA GLN A 59 5.192 3.966 0.519 1.00 1.00 H new ATOM 0 HB2 GLN A 59 7.329 4.178 1.603 1.00 1.00 H new ATOM 0 HB3 GLN A 59 8.196 3.619 0.186 1.00 1.00 H new ATOM 0 HG2 GLN A 59 7.747 5.638 -1.036 1.00 1.00 H new ATOM 0 HG3 GLN A 59 6.447 6.107 0.041 1.00 1.00 H new ATOM 0 HE21 GLN A 59 9.572 4.804 1.232 1.00 1.00 H new ATOM 0 HE22 GLN A 59 10.105 6.321 1.963 1.00 1.00 H new ATOM 945 N LEU A 60 5.309 5.019 -1.807 1.00 1.00 N ATOM 946 CA LEU A 60 5.104 5.421 -3.196 1.00 1.00 C ATOM 947 C LEU A 60 6.090 6.524 -3.577 1.00 1.00 C ATOM 948 O LEU A 60 6.738 7.114 -2.713 1.00 1.00 O ATOM 949 CB LEU A 60 3.664 5.925 -3.394 1.00 1.00 C ATOM 950 CG LEU A 60 2.717 4.772 -3.769 1.00 1.00 C ATOM 951 CD1 LEU A 60 3.100 4.187 -5.133 1.00 1.00 C ATOM 952 CD2 LEU A 60 2.778 3.669 -2.710 1.00 1.00 C ATOM 0 H LEU A 60 4.975 5.691 -1.116 1.00 1.00 H new ATOM 0 HA LEU A 60 5.272 4.555 -3.837 1.00 1.00 H new ATOM 0 HB2 LEU A 60 3.314 6.403 -2.479 1.00 1.00 H new ATOM 0 HB3 LEU A 60 3.646 6.683 -4.177 1.00 1.00 H new ATOM 0 HG LEU A 60 1.703 5.168 -3.820 1.00 1.00 H new ATOM 0 HD11 LEU A 60 2.420 3.372 -5.383 1.00 1.00 H new ATOM 0 HD12 LEU A 60 3.031 4.964 -5.894 1.00 1.00 H new ATOM 0 HD13 LEU A 60 4.121 3.808 -5.093 1.00 1.00 H new ATOM 0 HD21 LEU A 60 2.103 2.860 -2.988 1.00 1.00 H new ATOM 0 HD22 LEU A 60 3.796 3.285 -2.642 1.00 1.00 H new ATOM 0 HD23 LEU A 60 2.478 4.075 -1.744 1.00 1.00 H new ATOM 964 N SER A 61 6.206 6.791 -4.875 1.00 1.00 N ATOM 965 CA SER A 61 7.124 7.817 -5.359 1.00 1.00 C ATOM 966 C SER A 61 6.800 9.180 -4.753 1.00 1.00 C ATOM 967 O SER A 61 7.702 9.962 -4.452 1.00 1.00 O ATOM 968 CB SER A 61 7.049 7.905 -6.883 1.00 1.00 C ATOM 969 OG SER A 61 7.993 8.863 -7.345 1.00 1.00 O ATOM 0 H SER A 61 5.679 6.314 -5.607 1.00 1.00 H new ATOM 0 HA SER A 61 8.133 7.537 -5.055 1.00 1.00 H new ATOM 0 HB2 SER A 61 7.256 6.931 -7.326 1.00 1.00 H new ATOM 0 HB3 SER A 61 6.044 8.189 -7.193 1.00 1.00 H new ATOM 0 HG SER A 61 7.949 8.921 -8.322 1.00 1.00 H new ATOM 975 N SER A 62 5.513 9.457 -4.585 1.00 1.00 N ATOM 976 CA SER A 62 5.076 10.731 -4.021 1.00 1.00 C ATOM 977 C SER A 62 4.118 10.505 -2.857 1.00 1.00 C ATOM 978 O SER A 62 3.826 9.367 -2.490 1.00 1.00 O ATOM 979 CB SER A 62 4.382 11.564 -5.100 1.00 1.00 C ATOM 980 OG SER A 62 5.125 11.482 -6.308 1.00 1.00 O ATOM 0 H SER A 62 4.755 8.820 -4.830 1.00 1.00 H new ATOM 0 HA SER A 62 5.953 11.264 -3.654 1.00 1.00 H new ATOM 0 HB2 SER A 62 3.367 11.201 -5.259 1.00 1.00 H new ATOM 0 HB3 SER A 62 4.302 12.602 -4.779 1.00 1.00 H new ATOM 0 HG SER A 62 4.681 12.014 -7.002 1.00 1.00 H new ATOM 986 N ALA A 63 3.634 11.600 -2.277 1.00 1.00 N ATOM 987 CA ALA A 63 2.712 11.512 -1.151 1.00 1.00 C ATOM 988 C ALA A 63 1.274 11.369 -1.642 1.00 1.00 C ATOM 989 O ALA A 63 0.455 10.705 -1.007 1.00 1.00 O ATOM 990 CB ALA A 63 2.833 12.762 -0.278 1.00 1.00 C ATOM 0 H ALA A 63 3.863 12.551 -2.566 1.00 1.00 H new ATOM 0 HA ALA A 63 2.971 10.631 -0.563 1.00 1.00 H new ATOM 0 HB1 ALA A 63 2.141 12.688 0.561 1.00 1.00 H new ATOM 0 HB2 ALA A 63 3.852 12.845 0.099 1.00 1.00 H new ATOM 0 HB3 ALA A 63 2.592 13.644 -0.871 1.00 1.00 H new ATOM 996 N MET A 64 0.973 11.998 -2.774 1.00 1.00 N ATOM 997 CA MET A 64 -0.371 11.932 -3.336 1.00 1.00 C ATOM 998 C MET A 64 -0.635 10.553 -3.932 1.00 1.00 C ATOM 999 O MET A 64 -1.783 10.120 -4.033 1.00 1.00 O ATOM 1000 CB MET A 64 -0.539 12.999 -4.418 1.00 1.00 C ATOM 1001 CG MET A 64 0.663 12.959 -5.366 1.00 1.00 C ATOM 1002 SD MET A 64 1.758 14.355 -5.011 1.00 1.00 S ATOM 1003 CE MET A 64 0.723 15.647 -5.743 1.00 1.00 C ATOM 0 H MET A 64 1.635 12.554 -3.316 1.00 1.00 H new ATOM 0 HA MET A 64 -1.088 12.113 -2.535 1.00 1.00 H new ATOM 0 HB2 MET A 64 -1.460 12.826 -4.974 1.00 1.00 H new ATOM 0 HB3 MET A 64 -0.623 13.985 -3.961 1.00 1.00 H new ATOM 0 HG2 MET A 64 1.203 12.020 -5.246 1.00 1.00 H new ATOM 0 HG3 MET A 64 0.325 13.002 -6.401 1.00 1.00 H new ATOM 0 HE1 MET A 64 1.283 16.165 -6.522 1.00 1.00 H new ATOM 0 HE2 MET A 64 -0.169 15.196 -6.177 1.00 1.00 H new ATOM 0 HE3 MET A 64 0.431 16.360 -4.972 1.00 1.00 H new ATOM 1013 N ASP A 65 0.434 9.867 -4.323 1.00 1.00 N ATOM 1014 CA ASP A 65 0.306 8.538 -4.906 1.00 1.00 C ATOM 1015 C ASP A 65 -0.090 7.520 -3.842 1.00 1.00 C ATOM 1016 O ASP A 65 -0.494 6.402 -4.159 1.00 1.00 O ATOM 1017 CB ASP A 65 1.628 8.120 -5.551 1.00 1.00 C ATOM 1018 CG ASP A 65 1.708 8.664 -6.975 1.00 1.00 C ATOM 1019 OD1 ASP A 65 0.938 9.556 -7.288 1.00 1.00 O ATOM 1020 OD2 ASP A 65 2.535 8.180 -7.729 1.00 1.00 O ATOM 0 H ASP A 65 1.393 10.207 -4.247 1.00 1.00 H new ATOM 0 HA ASP A 65 -0.474 8.570 -5.667 1.00 1.00 H new ATOM 0 HB2 ASP A 65 2.465 8.496 -4.962 1.00 1.00 H new ATOM 0 HB3 ASP A 65 1.709 7.033 -5.563 1.00 1.00 H new ATOM 1025 N ALA A 66 0.027 7.916 -2.578 1.00 1.00 N ATOM 1026 CA ALA A 66 -0.325 7.028 -1.476 1.00 1.00 C ATOM 1027 C ALA A 66 -1.840 6.916 -1.345 1.00 1.00 C ATOM 1028 O ALA A 66 -2.401 5.825 -1.440 1.00 1.00 O ATOM 1029 CB ALA A 66 0.264 7.555 -0.167 1.00 1.00 C ATOM 0 H ALA A 66 0.360 8.837 -2.293 1.00 1.00 H new ATOM 0 HA ALA A 66 0.087 6.041 -1.685 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -0.005 6.884 0.649 1.00 1.00 H new ATOM 0 HB2 ALA A 66 1.350 7.607 -0.251 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -0.132 8.550 0.036 1.00 1.00 H new ATOM 1035 N SER A 67 -2.496 8.052 -1.130 1.00 1.00 N ATOM 1036 CA SER A 67 -3.948 8.069 -0.991 1.00 1.00 C ATOM 1037 C SER A 67 -4.607 7.511 -2.246 1.00 1.00 C ATOM 1038 O SER A 67 -5.626 6.825 -2.173 1.00 1.00 O ATOM 1039 CB SER A 67 -4.433 9.498 -0.749 1.00 1.00 C ATOM 1040 OG SER A 67 -3.483 10.412 -1.280 1.00 1.00 O ATOM 0 H SER A 67 -2.050 8.966 -1.049 1.00 1.00 H new ATOM 0 HA SER A 67 -4.223 7.446 -0.140 1.00 1.00 H new ATOM 0 HB2 SER A 67 -5.404 9.650 -1.221 1.00 1.00 H new ATOM 0 HB3 SER A 67 -4.566 9.673 0.319 1.00 1.00 H new ATOM 0 HG SER A 67 -3.792 11.330 -1.128 1.00 1.00 H new ATOM 1046 N GLN A 68 -4.018 7.811 -3.398 1.00 1.00 N ATOM 1047 CA GLN A 68 -4.551 7.338 -4.666 1.00 1.00 C ATOM 1048 C GLN A 68 -4.636 5.815 -4.677 1.00 1.00 C ATOM 1049 O GLN A 68 -5.707 5.245 -4.887 1.00 1.00 O ATOM 1050 CB GLN A 68 -3.649 7.810 -5.809 1.00 1.00 C ATOM 1051 CG GLN A 68 -4.463 8.630 -6.811 1.00 1.00 C ATOM 1052 CD GLN A 68 -3.632 8.898 -8.060 1.00 1.00 C ATOM 1053 OE1 GLN A 68 -4.029 8.527 -9.164 1.00 1.00 O ATOM 1054 NE2 GLN A 68 -2.493 9.527 -7.951 1.00 1.00 N ATOM 0 H GLN A 68 -3.174 8.378 -3.478 1.00 1.00 H new ATOM 0 HA GLN A 68 -5.554 7.745 -4.797 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.831 8.412 -5.413 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -3.201 6.951 -6.308 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -5.374 8.094 -7.078 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -4.769 9.573 -6.358 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -2.165 9.834 -7.035 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -1.931 9.712 -8.782 1.00 1.00 H new ATOM 1063 N LEU A 69 -3.500 5.164 -4.450 1.00 1.00 N ATOM 1064 CA LEU A 69 -3.459 3.705 -4.437 1.00 1.00 C ATOM 1065 C LEU A 69 -4.349 3.161 -3.325 1.00 1.00 C ATOM 1066 O LEU A 69 -4.840 2.034 -3.401 1.00 1.00 O ATOM 1067 CB LEU A 69 -2.019 3.220 -4.228 1.00 1.00 C ATOM 1068 CG LEU A 69 -1.751 1.990 -5.099 1.00 1.00 C ATOM 1069 CD1 LEU A 69 -0.304 1.533 -4.902 1.00 1.00 C ATOM 1070 CD2 LEU A 69 -2.699 0.858 -4.693 1.00 1.00 C ATOM 0 H LEU A 69 -2.603 5.617 -4.274 1.00 1.00 H new ATOM 0 HA LEU A 69 -3.825 3.339 -5.396 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -1.318 4.015 -4.481 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -1.857 2.975 -3.178 1.00 1.00 H new ATOM 0 HG LEU A 69 -1.916 2.245 -6.146 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -0.112 0.657 -5.522 1.00 1.00 H new ATOM 0 HD12 LEU A 69 0.374 2.337 -5.189 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -0.142 1.279 -3.854 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -2.507 -0.017 -5.314 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -2.534 0.603 -3.646 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -3.731 1.181 -4.830 1.00 1.00 H new ATOM 1082 N LEU A 70 -4.558 3.971 -2.294 1.00 1.00 N ATOM 1083 CA LEU A 70 -5.395 3.563 -1.171 1.00 1.00 C ATOM 1084 C LEU A 70 -6.870 3.724 -1.525 1.00 1.00 C ATOM 1085 O LEU A 70 -7.701 2.896 -1.155 1.00 1.00 O ATOM 1086 CB LEU A 70 -5.060 4.407 0.065 1.00 1.00 C ATOM 1087 CG LEU A 70 -4.827 3.497 1.281 1.00 1.00 C ATOM 1088 CD1 LEU A 70 -4.381 4.339 2.480 1.00 1.00 C ATOM 1089 CD2 LEU A 70 -6.123 2.768 1.644 1.00 1.00 C ATOM 0 H LEU A 70 -4.163 4.908 -2.212 1.00 1.00 H new ATOM 0 HA LEU A 70 -5.199 2.514 -0.951 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -4.170 5.007 -0.125 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -5.874 5.101 0.272 1.00 1.00 H new ATOM 0 HG LEU A 70 -4.055 2.770 1.031 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -4.217 3.689 3.340 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -3.454 4.858 2.235 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -5.154 5.069 2.719 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -5.949 2.125 2.507 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -6.896 3.498 1.885 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -6.448 2.161 0.799 1.00 1.00 H new ATOM 1101 N GLN A 71 -7.189 4.793 -2.245 1.00 1.00 N ATOM 1102 CA GLN A 71 -8.567 5.049 -2.647 1.00 1.00 C ATOM 1103 C GLN A 71 -8.919 4.257 -3.902 1.00 1.00 C ATOM 1104 O GLN A 71 -10.085 3.942 -4.143 1.00 1.00 O ATOM 1105 CB GLN A 71 -8.760 6.543 -2.909 1.00 1.00 C ATOM 1106 CG GLN A 71 -10.140 6.780 -3.523 1.00 1.00 C ATOM 1107 CD GLN A 71 -10.693 8.120 -3.052 1.00 1.00 C ATOM 1108 OE1 GLN A 71 -11.224 8.219 -1.947 1.00 1.00 O ATOM 1109 NE2 GLN A 71 -10.589 9.165 -3.826 1.00 1.00 N ATOM 0 H GLN A 71 -6.517 5.493 -2.561 1.00 1.00 H new ATOM 0 HA GLN A 71 -9.228 4.732 -1.840 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -8.664 7.102 -1.978 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -7.984 6.908 -3.581 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -10.071 6.767 -4.611 1.00 1.00 H new ATOM 0 HG3 GLN A 71 -10.818 5.976 -3.237 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -10.148 9.079 -4.742 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -10.949 10.068 -3.515 1.00 1.00 H new ATOM 1118 N ILE A 72 -7.905 3.944 -4.704 1.00 1.00 N ATOM 1119 CA ILE A 72 -8.121 3.195 -5.939 1.00 1.00 C ATOM 1120 C ILE A 72 -8.371 1.719 -5.648 1.00 1.00 C ATOM 1121 O ILE A 72 -9.222 1.088 -6.275 1.00 1.00 O ATOM 1122 CB ILE A 72 -6.900 3.336 -6.850 1.00 1.00 C ATOM 1123 CG1 ILE A 72 -6.977 4.667 -7.602 1.00 1.00 C ATOM 1124 CG2 ILE A 72 -6.873 2.184 -7.857 1.00 1.00 C ATOM 1125 CD1 ILE A 72 -5.620 4.977 -8.235 1.00 1.00 C ATOM 0 H ILE A 72 -6.933 4.195 -4.523 1.00 1.00 H new ATOM 0 HA ILE A 72 -9.001 3.603 -6.435 1.00 1.00 H new ATOM 0 HB ILE A 72 -5.993 3.309 -6.246 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -7.746 4.617 -8.373 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -7.262 5.467 -6.918 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -6.002 2.287 -8.505 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -6.818 1.235 -7.323 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -7.780 2.208 -8.462 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -5.676 5.925 -8.770 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -4.862 5.045 -7.455 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -5.353 4.182 -8.932 1.00 1.00 H new ATOM 1137 N LEU A 73 -7.621 1.169 -4.697 1.00 1.00 N ATOM 1138 CA LEU A 73 -7.769 -0.239 -4.340 1.00 1.00 C ATOM 1139 C LEU A 73 -8.985 -0.447 -3.442 1.00 1.00 C ATOM 1140 O LEU A 73 -9.626 -1.498 -3.486 1.00 1.00 O ATOM 1141 CB LEU A 73 -6.508 -0.731 -3.624 1.00 1.00 C ATOM 1142 CG LEU A 73 -6.515 -2.260 -3.557 1.00 1.00 C ATOM 1143 CD1 LEU A 73 -5.864 -2.836 -4.816 1.00 1.00 C ATOM 1144 CD2 LEU A 73 -5.723 -2.716 -2.329 1.00 1.00 C ATOM 0 H LEU A 73 -6.911 1.671 -4.164 1.00 1.00 H new ATOM 0 HA LEU A 73 -7.913 -0.811 -5.256 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -5.620 -0.385 -4.153 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -6.463 -0.314 -2.618 1.00 1.00 H new ATOM 0 HG LEU A 73 -7.544 -2.613 -3.487 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -5.871 -3.925 -4.764 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -6.421 -2.511 -5.695 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -4.835 -2.483 -4.888 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -5.726 -3.805 -2.278 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.696 -2.359 -2.405 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -6.183 -2.309 -1.428 1.00 1.00 H new ATOM 1156 N GLN A 74 -9.298 0.555 -2.628 1.00 1.00 N ATOM 1157 CA GLN A 74 -10.444 0.457 -1.726 1.00 1.00 C ATOM 1158 C GLN A 74 -11.729 0.883 -2.435 1.00 1.00 C ATOM 1159 O GLN A 74 -12.828 0.660 -1.928 1.00 1.00 O ATOM 1160 CB GLN A 74 -10.231 1.331 -0.485 1.00 1.00 C ATOM 1161 CG GLN A 74 -9.067 0.775 0.339 1.00 1.00 C ATOM 1162 CD GLN A 74 -8.860 1.630 1.584 1.00 1.00 C ATOM 1163 OE1 GLN A 74 -9.289 2.782 1.625 1.00 1.00 O ATOM 1164 NE2 GLN A 74 -8.225 1.130 2.610 1.00 1.00 N ATOM 0 H GLN A 74 -8.783 1.434 -2.572 1.00 1.00 H new ATOM 0 HA GLN A 74 -10.537 -0.584 -1.418 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -10.021 2.358 -0.783 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -11.139 1.353 0.118 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -9.272 -0.257 0.625 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -8.157 0.764 -0.261 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -7.870 0.174 2.574 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -8.084 1.695 3.447 1.00 1.00 H new ATOM 1173 N SER A 75 -11.584 1.492 -3.610 1.00 1.00 N ATOM 1174 CA SER A 75 -12.744 1.933 -4.375 1.00 1.00 C ATOM 1175 C SER A 75 -13.481 0.729 -4.946 1.00 1.00 C ATOM 1176 O SER A 75 -14.687 0.779 -5.186 1.00 1.00 O ATOM 1177 CB SER A 75 -12.300 2.853 -5.513 1.00 1.00 C ATOM 1178 OG SER A 75 -13.258 2.796 -6.563 1.00 1.00 O ATOM 0 H SER A 75 -10.684 1.689 -4.048 1.00 1.00 H new ATOM 0 HA SER A 75 -13.415 2.481 -3.713 1.00 1.00 H new ATOM 0 HB2 SER A 75 -12.200 3.876 -5.151 1.00 1.00 H new ATOM 0 HB3 SER A 75 -11.321 2.548 -5.882 1.00 1.00 H new ATOM 0 HG SER A 75 -12.978 3.386 -7.294 1.00 1.00 H new ATOM 1184 N LEU A 76 -12.743 -0.357 -5.151 1.00 1.00 N ATOM 1185 CA LEU A 76 -13.331 -1.581 -5.684 1.00 1.00 C ATOM 1186 C LEU A 76 -14.235 -2.224 -4.638 1.00 1.00 C ATOM 1187 O LEU A 76 -13.895 -2.267 -3.455 1.00 1.00 O ATOM 1188 CB LEU A 76 -12.230 -2.568 -6.090 1.00 1.00 C ATOM 1189 CG LEU A 76 -11.307 -1.925 -7.131 1.00 1.00 C ATOM 1190 CD1 LEU A 76 -10.176 -2.894 -7.476 1.00 1.00 C ATOM 1191 CD2 LEU A 76 -12.102 -1.601 -8.400 1.00 1.00 C ATOM 0 H LEU A 76 -11.743 -0.415 -4.958 1.00 1.00 H new ATOM 0 HA LEU A 76 -13.922 -1.328 -6.564 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -11.653 -2.863 -5.213 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -12.676 -3.475 -6.498 1.00 1.00 H new ATOM 0 HG LEU A 76 -10.890 -1.005 -6.721 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -9.519 -2.438 -8.216 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -9.605 -3.122 -6.576 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -10.596 -3.814 -7.882 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -11.441 -1.144 -9.137 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -12.523 -2.519 -8.810 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -12.908 -0.909 -8.157 1.00 1.00 H new ATOM 1203 N HIS A 77 -15.388 -2.714 -5.075 1.00 1.00 N ATOM 1204 CA HIS A 77 -16.332 -3.346 -4.156 1.00 1.00 C ATOM 1205 C HIS A 77 -15.669 -4.485 -3.380 1.00 1.00 C ATOM 1206 O HIS A 77 -15.668 -4.474 -2.149 1.00 1.00 O ATOM 1207 CB HIS A 77 -17.560 -3.867 -4.912 1.00 1.00 C ATOM 1208 CG HIS A 77 -18.755 -3.024 -4.559 1.00 1.00 C ATOM 1209 ND1 HIS A 77 -19.793 -3.508 -3.780 1.00 1.00 N ATOM 1210 CD2 HIS A 77 -19.087 -1.728 -4.864 1.00 1.00 C ATOM 1211 CE1 HIS A 77 -20.694 -2.519 -3.642 1.00 1.00 C ATOM 1212 NE2 HIS A 77 -20.313 -1.410 -4.284 1.00 1.00 N ATOM 0 H HIS A 77 -15.692 -2.688 -6.048 1.00 1.00 H new ATOM 0 HA HIS A 77 -16.656 -2.589 -3.442 1.00 1.00 H new ATOM 0 HB2 HIS A 77 -17.381 -3.833 -5.987 1.00 1.00 H new ATOM 0 HB3 HIS A 77 -17.746 -4.909 -4.652 1.00 1.00 H new ATOM 0 HD2 HIS A 77 -18.489 -1.057 -5.463 1.00 1.00 H new ATOM 0 HE1 HIS A 77 -21.613 -2.610 -3.081 1.00 1.00 H new ATOM 0 HE2 HIS A 77 -20.812 -0.522 -4.338 1.00 1.00 H new ATOM 1220 N PRO A 78 -15.105 -5.461 -4.055 1.00 1.00 N ATOM 1221 CA PRO A 78 -14.433 -6.609 -3.379 1.00 1.00 C ATOM 1222 C PRO A 78 -13.050 -6.221 -2.825 1.00 1.00 C ATOM 1223 O PRO A 78 -12.147 -5.917 -3.604 1.00 1.00 O ATOM 1224 CB PRO A 78 -14.288 -7.643 -4.496 1.00 1.00 C ATOM 1225 CG PRO A 78 -14.212 -6.849 -5.755 1.00 1.00 C ATOM 1226 CD PRO A 78 -15.040 -5.586 -5.526 1.00 1.00 C ATOM 0 HA PRO A 78 -14.999 -6.969 -2.520 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -13.393 -8.249 -4.358 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -15.137 -8.327 -4.512 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -13.178 -6.597 -5.992 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -14.602 -7.420 -6.597 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -14.570 -4.713 -5.980 1.00 1.00 H new ATOM 0 HD3 PRO A 78 -16.034 -5.676 -5.963 1.00 1.00 H new ATOM 1234 N PRO A 79 -12.855 -6.222 -1.520 1.00 1.00 N ATOM 1235 CA PRO A 79 -11.537 -5.858 -0.920 1.00 1.00 C ATOM 1236 C PRO A 79 -10.378 -6.580 -1.603 1.00 1.00 C ATOM 1237 O PRO A 79 -10.580 -7.331 -2.557 1.00 1.00 O ATOM 1238 CB PRO A 79 -11.662 -6.296 0.540 1.00 1.00 C ATOM 1239 CG PRO A 79 -13.124 -6.283 0.838 1.00 1.00 C ATOM 1240 CD PRO A 79 -13.847 -6.561 -0.481 1.00 1.00 C ATOM 0 HA PRO A 79 -11.320 -4.796 -1.032 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -11.240 -7.290 0.689 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -11.121 -5.618 1.200 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -13.373 -7.039 1.582 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -13.426 -5.320 1.249 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -14.157 -7.603 -0.552 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -14.747 -5.953 -0.577 1.00 1.00 H new ATOM 1248 N LEU A 80 -9.166 -6.357 -1.106 1.00 1.00 N ATOM 1249 CA LEU A 80 -7.993 -7.002 -1.681 1.00 1.00 C ATOM 1250 C LEU A 80 -7.898 -8.440 -1.186 1.00 1.00 C ATOM 1251 O LEU A 80 -7.815 -8.683 0.016 1.00 1.00 O ATOM 1252 CB LEU A 80 -6.729 -6.226 -1.293 1.00 1.00 C ATOM 1253 CG LEU A 80 -5.501 -6.831 -1.988 1.00 1.00 C ATOM 1254 CD1 LEU A 80 -5.630 -6.685 -3.507 1.00 1.00 C ATOM 1255 CD2 LEU A 80 -4.245 -6.098 -1.516 1.00 1.00 C ATOM 0 H LEU A 80 -8.972 -5.742 -0.316 1.00 1.00 H new ATOM 0 HA LEU A 80 -8.084 -7.008 -2.767 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -6.836 -5.178 -1.574 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -6.594 -6.253 -0.212 1.00 1.00 H new ATOM 0 HG LEU A 80 -5.433 -7.889 -1.736 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -4.754 -7.117 -3.990 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.525 -7.205 -3.848 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -5.703 -5.629 -3.766 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -3.369 -6.524 -2.006 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -4.324 -5.041 -1.769 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -4.145 -6.207 -0.436 1.00 1.00 H new ATOM 1267 N LYS A 81 -7.923 -9.388 -2.122 1.00 1.00 N ATOM 1268 CA LYS A 81 -7.850 -10.803 -1.769 1.00 1.00 C ATOM 1269 C LYS A 81 -6.655 -11.468 -2.441 1.00 1.00 C ATOM 1270 O LYS A 81 -6.584 -11.554 -3.668 1.00 1.00 O ATOM 1271 CB LYS A 81 -9.142 -11.511 -2.194 1.00 1.00 C ATOM 1272 CG LYS A 81 -9.316 -12.816 -1.401 1.00 1.00 C ATOM 1273 CD LYS A 81 -8.223 -13.820 -1.780 1.00 1.00 C ATOM 1274 CE LYS A 81 -8.754 -15.237 -1.564 1.00 1.00 C ATOM 1275 NZ LYS A 81 -7.617 -16.159 -1.285 1.00 1.00 N ATOM 0 H LYS A 81 -7.993 -9.203 -3.123 1.00 1.00 H new ATOM 0 HA LYS A 81 -7.728 -10.883 -0.689 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -9.997 -10.857 -2.024 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -9.113 -11.727 -3.262 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -9.273 -12.608 -0.332 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -10.298 -13.244 -1.603 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -7.929 -13.682 -2.821 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -7.333 -13.655 -1.173 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -9.458 -15.250 -0.732 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -9.298 -15.571 -2.447 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -7.588 -16.904 -2.010 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -6.725 -15.625 -1.302 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -7.743 -16.593 -0.348 1.00 1.00 H new ATOM 1289 N ILE A 82 -5.727 -11.947 -1.622 1.00 1.00 N ATOM 1290 CA ILE A 82 -4.534 -12.620 -2.123 1.00 1.00 C ATOM 1291 C ILE A 82 -4.538 -14.070 -1.654 1.00 1.00 C ATOM 1292 O ILE A 82 -4.811 -14.340 -0.485 1.00 1.00 O ATOM 1293 CB ILE A 82 -3.278 -11.910 -1.603 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -3.276 -10.448 -2.080 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -2.025 -12.624 -2.113 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -2.606 -10.341 -3.453 1.00 1.00 C ATOM 0 H ILE A 82 -5.777 -11.882 -0.605 1.00 1.00 H new ATOM 0 HA ILE A 82 -4.532 -12.590 -3.213 1.00 1.00 H new ATOM 0 HB ILE A 82 -3.280 -11.933 -0.513 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -4.299 -10.075 -2.136 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -2.748 -9.823 -1.360 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -1.138 -12.113 -1.739 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -2.025 -13.656 -1.761 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -2.018 -12.613 -3.203 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -2.611 -9.301 -3.780 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -1.577 -10.695 -3.385 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -3.152 -10.950 -4.173 1.00 1.00 H new ATOM 1308 N ASP A 83 -4.252 -14.994 -2.575 1.00 1.00 N ATOM 1309 CA ASP A 83 -4.239 -16.420 -2.251 1.00 1.00 C ATOM 1310 C ASP A 83 -3.784 -16.649 -0.814 1.00 1.00 C ATOM 1311 O ASP A 83 -2.597 -16.548 -0.500 1.00 1.00 O ATOM 1312 CB ASP A 83 -3.301 -17.163 -3.203 1.00 1.00 C ATOM 1313 CG ASP A 83 -3.899 -17.198 -4.605 1.00 1.00 C ATOM 1314 OD1 ASP A 83 -4.718 -16.342 -4.900 1.00 1.00 O ATOM 1315 OD2 ASP A 83 -3.528 -18.076 -5.365 1.00 1.00 O ATOM 0 H ASP A 83 -4.027 -14.780 -3.547 1.00 1.00 H new ATOM 0 HA ASP A 83 -5.254 -16.801 -2.362 1.00 1.00 H new ATOM 0 HB2 ASP A 83 -2.329 -16.671 -3.226 1.00 1.00 H new ATOM 0 HB3 ASP A 83 -3.136 -18.179 -2.844 1.00 1.00 H new ATOM 1320 N GLY A 84 -4.742 -16.951 0.058 1.00 1.00 N ATOM 1321 CA GLY A 84 -4.440 -17.185 1.463 1.00 1.00 C ATOM 1322 C GLY A 84 -5.560 -16.660 2.354 1.00 1.00 C ATOM 1323 O GLY A 84 -6.102 -17.393 3.182 1.00 1.00 O ATOM 0 H GLY A 84 -5.729 -17.039 -0.184 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -4.301 -18.252 1.637 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -3.502 -16.695 1.724 1.00 1.00 H new ATOM 1327 N LYS A 85 -5.902 -15.387 2.183 1.00 1.00 N ATOM 1328 CA LYS A 85 -6.960 -14.775 2.979 1.00 1.00 C ATOM 1329 C LYS A 85 -7.235 -13.349 2.510 1.00 1.00 C ATOM 1330 O LYS A 85 -6.613 -12.865 1.564 1.00 1.00 O ATOM 1331 CB LYS A 85 -6.557 -14.760 4.456 1.00 1.00 C ATOM 1332 CG LYS A 85 -5.047 -14.546 4.568 1.00 1.00 C ATOM 1333 CD LYS A 85 -4.732 -13.792 5.863 1.00 1.00 C ATOM 1334 CE LYS A 85 -3.228 -13.845 6.130 1.00 1.00 C ATOM 1335 NZ LYS A 85 -2.951 -14.831 7.212 1.00 1.00 N ATOM 0 H LYS A 85 -5.465 -14.763 1.505 1.00 1.00 H new ATOM 0 HA LYS A 85 -7.868 -15.364 2.854 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -7.088 -13.966 4.981 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -6.838 -15.700 4.931 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -4.531 -15.506 4.559 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -4.684 -13.982 3.709 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -5.062 -12.756 5.783 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -5.276 -14.236 6.697 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -2.696 -14.127 5.221 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -2.864 -12.859 6.420 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -1.928 -14.868 7.394 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -3.447 -14.543 8.079 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -3.284 -15.771 6.918 1.00 1.00 H new ATOM 1349 N THR A 86 -8.172 -12.682 3.178 1.00 1.00 N ATOM 1350 CA THR A 86 -8.526 -11.311 2.823 1.00 1.00 C ATOM 1351 C THR A 86 -7.414 -10.346 3.222 1.00 1.00 C ATOM 1352 O THR A 86 -6.778 -10.514 4.263 1.00 1.00 O ATOM 1353 CB THR A 86 -9.827 -10.910 3.521 1.00 1.00 C ATOM 1354 OG1 THR A 86 -10.229 -9.626 3.066 1.00 1.00 O ATOM 1355 CG2 THR A 86 -9.606 -10.871 5.034 1.00 1.00 C ATOM 0 H THR A 86 -8.697 -13.066 3.964 1.00 1.00 H new ATOM 0 HA THR A 86 -8.662 -11.261 1.743 1.00 1.00 H new ATOM 0 HB THR A 86 -10.604 -11.638 3.289 1.00 1.00 H new ATOM 0 HG1 THR A 86 -11.063 -9.368 3.511 1.00 1.00 H new ATOM 0 HG21 THR A 86 -10.534 -10.585 5.530 1.00 1.00 H new ATOM 0 HG22 THR A 86 -9.297 -11.857 5.382 1.00 1.00 H new ATOM 0 HG23 THR A 86 -8.829 -10.143 5.270 1.00 1.00 H new ATOM 1363 N ILE A 87 -7.185 -9.338 2.383 1.00 1.00 N ATOM 1364 CA ILE A 87 -6.145 -8.345 2.644 1.00 1.00 C ATOM 1365 C ILE A 87 -6.745 -6.942 2.721 1.00 1.00 C ATOM 1366 O ILE A 87 -7.584 -6.568 1.898 1.00 1.00 O ATOM 1367 CB ILE A 87 -5.097 -8.397 1.531 1.00 1.00 C ATOM 1368 CG1 ILE A 87 -4.444 -9.786 1.508 1.00 1.00 C ATOM 1369 CG2 ILE A 87 -4.035 -7.323 1.768 1.00 1.00 C ATOM 1370 CD1 ILE A 87 -3.235 -9.820 2.445 1.00 1.00 C ATOM 0 H ILE A 87 -7.704 -9.187 1.518 1.00 1.00 H new ATOM 0 HA ILE A 87 -5.676 -8.574 3.601 1.00 1.00 H new ATOM 0 HB ILE A 87 -5.578 -8.211 0.571 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -5.169 -10.541 1.811 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -4.133 -10.032 0.493 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -3.291 -7.365 0.972 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -4.506 -6.340 1.773 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -3.549 -7.497 2.728 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.782 -10.811 2.419 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.504 -9.078 2.123 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -3.556 -9.595 3.462 1.00 1.00 H new ATOM 1382 N GLY A 88 -6.305 -6.174 3.719 1.00 1.00 N ATOM 1383 CA GLY A 88 -6.802 -4.812 3.909 1.00 1.00 C ATOM 1384 C GLY A 88 -5.692 -3.783 3.706 1.00 1.00 C ATOM 1385 O GLY A 88 -4.523 -4.138 3.548 1.00 1.00 O ATOM 0 H GLY A 88 -5.610 -6.470 4.404 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -7.614 -4.618 3.208 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -7.216 -4.710 4.912 1.00 1.00 H new ATOM 1389 N VAL A 89 -6.072 -2.506 3.714 1.00 1.00 N ATOM 1390 CA VAL A 89 -5.108 -1.423 3.530 1.00 1.00 C ATOM 1391 C VAL A 89 -5.302 -0.346 4.595 1.00 1.00 C ATOM 1392 O VAL A 89 -6.432 -0.024 4.964 1.00 1.00 O ATOM 1393 CB VAL A 89 -5.282 -0.806 2.142 1.00 1.00 C ATOM 1394 CG1 VAL A 89 -4.083 0.088 1.823 1.00 1.00 C ATOM 1395 CG2 VAL A 89 -5.376 -1.920 1.098 1.00 1.00 C ATOM 0 H VAL A 89 -7.035 -2.197 3.845 1.00 1.00 H new ATOM 0 HA VAL A 89 -4.103 -1.834 3.624 1.00 1.00 H new ATOM 0 HB VAL A 89 -6.194 -0.209 2.124 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -4.209 0.527 0.833 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -4.014 0.883 2.566 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -3.170 -0.507 1.842 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -5.500 -1.481 0.108 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -4.464 -2.516 1.119 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -6.231 -2.557 1.322 1.00 1.00 H new ATOM 1405 N ASP A 90 -4.196 0.207 5.084 1.00 1.00 N ATOM 1406 CA ASP A 90 -4.261 1.247 6.106 1.00 1.00 C ATOM 1407 C ASP A 90 -3.173 2.296 5.878 1.00 1.00 C ATOM 1408 O ASP A 90 -2.116 1.996 5.325 1.00 1.00 O ATOM 1409 CB ASP A 90 -4.089 0.623 7.493 1.00 1.00 C ATOM 1410 CG ASP A 90 -4.741 -0.755 7.526 1.00 1.00 C ATOM 1411 OD1 ASP A 90 -4.293 -1.620 6.790 1.00 1.00 O ATOM 1412 OD2 ASP A 90 -5.681 -0.926 8.284 1.00 1.00 O ATOM 0 H ASP A 90 -3.252 -0.045 4.792 1.00 1.00 H new ATOM 0 HA ASP A 90 -5.234 1.733 6.042 1.00 1.00 H new ATOM 0 HB2 ASP A 90 -3.029 0.540 7.735 1.00 1.00 H new ATOM 0 HB3 ASP A 90 -4.539 1.266 8.249 1.00 1.00 H new ATOM 1417 N PHE A 91 -3.442 3.527 6.310 1.00 1.00 N ATOM 1418 CA PHE A 91 -2.477 4.612 6.151 1.00 1.00 C ATOM 1419 C PHE A 91 -1.290 4.412 7.088 1.00 1.00 C ATOM 1420 O PHE A 91 -1.297 3.514 7.932 1.00 1.00 O ATOM 1421 CB PHE A 91 -3.144 5.953 6.458 1.00 1.00 C ATOM 1422 CG PHE A 91 -3.711 6.546 5.190 1.00 1.00 C ATOM 1423 CD1 PHE A 91 -2.848 7.022 4.194 1.00 1.00 C ATOM 1424 CD2 PHE A 91 -5.096 6.625 5.011 1.00 1.00 C ATOM 1425 CE1 PHE A 91 -3.372 7.575 3.020 1.00 1.00 C ATOM 1426 CE2 PHE A 91 -5.621 7.179 3.837 1.00 1.00 C ATOM 1427 CZ PHE A 91 -4.759 7.654 2.841 1.00 1.00 C ATOM 0 H PHE A 91 -4.312 3.796 6.769 1.00 1.00 H new ATOM 0 HA PHE A 91 -2.122 4.608 5.121 1.00 1.00 H new ATOM 0 HB2 PHE A 91 -3.938 5.815 7.192 1.00 1.00 H new ATOM 0 HB3 PHE A 91 -2.419 6.638 6.898 1.00 1.00 H new ATOM 0 HD1 PHE A 91 -1.779 6.962 4.332 1.00 1.00 H new ATOM 0 HD2 PHE A 91 -5.761 6.258 5.779 1.00 1.00 H new ATOM 0 HE1 PHE A 91 -2.707 7.941 2.252 1.00 1.00 H new ATOM 0 HE2 PHE A 91 -6.691 7.240 3.700 1.00 1.00 H new ATOM 0 HZ PHE A 91 -5.163 8.081 1.935 1.00 1.00 H new ATOM 1437 N ALA A 92 -0.273 5.256 6.937 1.00 1.00 N ATOM 1438 CA ALA A 92 0.916 5.163 7.778 1.00 1.00 C ATOM 1439 C ALA A 92 0.631 5.717 9.172 1.00 1.00 C ATOM 1440 O ALA A 92 0.247 6.877 9.320 1.00 1.00 O ATOM 1441 CB ALA A 92 2.067 5.945 7.144 1.00 1.00 C ATOM 0 H ALA A 92 -0.248 6.006 6.246 1.00 1.00 H new ATOM 0 HA ALA A 92 1.194 4.113 7.865 1.00 1.00 H new ATOM 0 HB1 ALA A 92 2.950 5.870 7.778 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.290 5.531 6.161 1.00 1.00 H new ATOM 0 HB3 ALA A 92 1.782 6.992 7.041 1.00 1.00 H new ATOM 1447 N LYS A 93 0.822 4.879 10.187 1.00 1.00 N ATOM 1448 CA LYS A 93 0.584 5.293 11.566 1.00 1.00 C ATOM 1449 C LYS A 93 1.905 5.504 12.297 1.00 1.00 C ATOM 1450 O LYS A 93 2.792 6.202 11.807 1.00 1.00 O ATOM 1451 CB LYS A 93 -0.240 4.228 12.295 1.00 1.00 C ATOM 1452 CG LYS A 93 -1.510 3.930 11.495 1.00 1.00 C ATOM 1453 CD LYS A 93 -2.437 3.038 12.324 1.00 1.00 C ATOM 1454 CE LYS A 93 -3.778 2.890 11.604 1.00 1.00 C ATOM 1455 NZ LYS A 93 -3.580 2.135 10.334 1.00 1.00 N ATOM 0 H LYS A 93 1.139 3.915 10.082 1.00 1.00 H new ATOM 0 HA LYS A 93 0.034 6.234 11.554 1.00 1.00 H new ATOM 0 HB2 LYS A 93 0.348 3.318 12.417 1.00 1.00 H new ATOM 0 HB3 LYS A 93 -0.500 4.575 13.295 1.00 1.00 H new ATOM 0 HG2 LYS A 93 -2.017 4.860 11.237 1.00 1.00 H new ATOM 0 HG3 LYS A 93 -1.255 3.436 10.558 1.00 1.00 H new ATOM 0 HD2 LYS A 93 -1.981 2.059 12.472 1.00 1.00 H new ATOM 0 HD3 LYS A 93 -2.588 3.472 13.313 1.00 1.00 H new ATOM 0 HE2 LYS A 93 -4.490 2.368 12.243 1.00 1.00 H new ATOM 0 HE3 LYS A 93 -4.200 3.873 11.393 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 -3.775 2.759 9.525 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 -2.598 1.796 10.281 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 -4.228 1.322 10.309 1.00 1.00 H new ATOM 1469 N SER A 94 2.027 4.899 13.474 1.00 1.00 N ATOM 1470 CA SER A 94 3.245 5.028 14.266 1.00 1.00 C ATOM 1471 C SER A 94 3.409 3.830 15.195 1.00 1.00 C ATOM 1472 O SER A 94 2.543 3.553 16.025 1.00 1.00 O ATOM 1473 CB SER A 94 3.195 6.313 15.092 1.00 1.00 C ATOM 1474 OG SER A 94 4.518 6.796 15.291 1.00 1.00 O ATOM 0 H SER A 94 1.303 4.319 13.898 1.00 1.00 H new ATOM 0 HA SER A 94 4.096 5.065 13.587 1.00 1.00 H new ATOM 0 HB2 SER A 94 2.594 7.065 14.580 1.00 1.00 H new ATOM 0 HB3 SER A 94 2.717 6.123 16.053 1.00 1.00 H new ATOM 0 HG SER A 94 4.489 7.621 15.819 1.00 1.00 H new ATOM 1480 N ALA A 95 4.525 3.123 15.052 1.00 1.00 N ATOM 1481 CA ALA A 95 4.792 1.956 15.884 1.00 1.00 C ATOM 1482 C ALA A 95 6.292 1.705 15.992 1.00 1.00 C ATOM 1483 O ALA A 95 6.715 1.198 17.017 1.00 1.00 O ATOM 1484 CB ALA A 95 4.109 0.722 15.289 1.00 1.00 C ATOM 1485 OXT ALA A 95 6.996 2.026 15.049 1.00 1.00 O ATOM 0 H ALA A 95 5.255 3.336 14.372 1.00 1.00 H new ATOM 0 HA ALA A 95 4.394 2.147 16.881 1.00 1.00 H new ATOM 0 HB1 ALA A 95 4.314 -0.145 15.917 1.00 1.00 H new ATOM 0 HB2 ALA A 95 3.033 0.889 15.241 1.00 1.00 H new ATOM 0 HB3 ALA A 95 4.493 0.542 14.285 1.00 1.00 H new TER 1491 ALA A 95