USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 592 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 18 THR OG1 : rot -156:sc= -1.17! USER MOD Set 1.2: A 21 ASN : amide:sc= 0.289 K(o=-0.88,f=-1.8) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.152 (180deg=-0.698) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 75:sc= 0.0192 USER MOD Single : A 6 SER OG : rot -167:sc= 0.69 USER MOD Single : A 7 SER OG : rot -176:sc= 1.21 USER MOD Single : A -1 GLY N :NH3+ -117:sc= 0.27 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -151:sc= -1.31! (180deg=-3.13!) USER MOD Single : A 13 THR OG1 : rot 74:sc= 1.18 USER MOD Single : A 15 LYS NZ :NH3+ -131:sc= 1.1 (180deg=-0.345) USER MOD Single : A 16 CYS SG : rot 155:sc= -0.464 USER MOD Single : A 19 GLN : amide:sc= -1.01 K(o=-1,f=-1.8) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -162:sc= -0.212 (180deg=-0.652) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 176:sc= -0.968 USER MOD Single : A 34 SER OG : rot 82:sc= 1.25 USER MOD Single : A 36 LYS NZ :NH3+ 169:sc= 0.176! (180deg=0.0266) USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 162:sc= -0.0216 (180deg=-0.296) USER MOD Single : A 50 LYS NZ :NH3+ 172:sc= 0.949 (180deg=0.845) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.492 K(o=-0.49,f=-6!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 64 LYS NZ :NH3+ -163:sc= 0.301 (180deg=0.181) USER MOD Single : A 65 TYR OH : rot 151:sc= -0.155 USER MOD Single : A 68 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.24) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 7.727 21.682 -1.178 1.00 0.00 N ATOM 2 CA GLY A -1 9.114 22.013 -1.524 1.00 0.00 C ATOM 3 C GLY A -1 9.446 21.514 -2.902 1.00 0.00 C ATOM 4 O GLY A -1 8.638 20.851 -3.513 1.00 0.00 O ATOM 0 H1 GLY A -1 7.185 22.559 -1.039 1.00 0.00 H new ATOM 0 H2 GLY A -1 7.299 21.129 -1.948 1.00 0.00 H new ATOM 0 H3 GLY A -1 7.712 21.123 -0.301 1.00 0.00 H new ATOM 0 HA2 GLY A -1 9.259 23.092 -1.477 1.00 0.00 H new ATOM 0 HA3 GLY A -1 9.793 21.568 -0.796 1.00 0.00 H new ATOM 8 N SER A 0 10.624 21.807 -3.388 1.00 0.00 N ATOM 9 CA SER A 0 11.024 21.398 -4.726 1.00 0.00 C ATOM 10 C SER A 0 11.960 20.179 -4.668 1.00 0.00 C ATOM 11 O SER A 0 12.509 19.742 -5.690 1.00 0.00 O ATOM 12 CB SER A 0 11.718 22.575 -5.419 1.00 0.00 C ATOM 13 OG SER A 0 10.887 23.740 -5.379 1.00 0.00 O ATOM 0 H SER A 0 11.335 22.332 -2.878 1.00 0.00 H new ATOM 0 HA SER A 0 10.139 21.109 -5.294 1.00 0.00 H new ATOM 0 HB2 SER A 0 12.670 22.783 -4.930 1.00 0.00 H new ATOM 0 HB3 SER A 0 11.941 22.315 -6.454 1.00 0.00 H new ATOM 0 HG SER A 0 11.345 24.484 -5.824 1.00 0.00 H new ATOM 19 N MET A 1 12.120 19.629 -3.481 1.00 0.00 N ATOM 20 CA MET A 1 13.004 18.494 -3.266 1.00 0.00 C ATOM 21 C MET A 1 12.229 17.199 -3.155 1.00 0.00 C ATOM 22 O MET A 1 11.090 17.201 -2.688 1.00 0.00 O ATOM 23 CB MET A 1 13.858 18.693 -2.005 1.00 0.00 C ATOM 24 CG MET A 1 13.067 18.856 -0.716 1.00 0.00 C ATOM 25 SD MET A 1 14.127 19.030 0.741 1.00 0.00 S ATOM 26 CE MET A 1 15.111 20.464 0.293 1.00 0.00 C ATOM 0 H MET A 1 11.644 19.953 -2.639 1.00 0.00 H new ATOM 0 HA MET A 1 13.660 18.431 -4.134 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.527 17.839 -1.898 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.485 19.574 -2.144 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.424 19.732 -0.798 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.415 17.993 -0.584 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.556 20.894 1.190 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.901 20.163 -0.395 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.474 21.206 -0.188 1.00 0.00 H new ATOM 36 N SER A 2 12.862 16.114 -3.591 1.00 0.00 N ATOM 37 CA SER A 2 12.321 14.755 -3.520 1.00 0.00 C ATOM 38 C SER A 2 11.040 14.562 -4.360 1.00 0.00 C ATOM 39 O SER A 2 10.557 15.482 -5.038 1.00 0.00 O ATOM 40 CB SER A 2 12.076 14.360 -2.057 1.00 0.00 C ATOM 41 OG SER A 2 13.267 14.502 -1.277 1.00 0.00 O ATOM 0 H SER A 2 13.789 16.154 -4.015 1.00 0.00 H new ATOM 0 HA SER A 2 13.071 14.095 -3.956 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.286 14.983 -1.637 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.728 13.328 -2.009 1.00 0.00 H new ATOM 0 HG SER A 2 13.083 14.246 -0.349 1.00 0.00 H new ATOM 47 N TYR A 3 10.537 13.359 -4.349 1.00 0.00 N ATOM 48 CA TYR A 3 9.314 13.028 -5.003 1.00 0.00 C ATOM 49 C TYR A 3 8.334 12.476 -4.016 1.00 0.00 C ATOM 50 O TYR A 3 8.329 11.283 -3.721 1.00 0.00 O ATOM 51 CB TYR A 3 9.514 12.027 -6.118 1.00 0.00 C ATOM 52 CG TYR A 3 10.171 12.563 -7.356 1.00 0.00 C ATOM 53 CD1 TYR A 3 9.411 13.158 -8.340 1.00 0.00 C ATOM 54 CD2 TYR A 3 11.520 12.419 -7.571 1.00 0.00 C ATOM 55 CE1 TYR A 3 9.967 13.609 -9.510 1.00 0.00 C ATOM 56 CE2 TYR A 3 12.098 12.869 -8.728 1.00 0.00 C ATOM 57 CZ TYR A 3 11.322 13.464 -9.705 1.00 0.00 C ATOM 58 OH TYR A 3 11.908 13.922 -10.869 1.00 0.00 O ATOM 0 H TYR A 3 10.978 12.571 -3.875 1.00 0.00 H new ATOM 0 HA TYR A 3 8.928 13.948 -5.441 1.00 0.00 H new ATOM 0 HB2 TYR A 3 10.114 11.201 -5.738 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.543 11.616 -6.392 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.348 13.272 -8.185 1.00 0.00 H new ATOM 0 HD2 TYR A 3 12.132 11.945 -6.818 1.00 0.00 H new ATOM 0 HE1 TYR A 3 9.351 14.071 -10.267 1.00 0.00 H new ATOM 0 HE2 TYR A 3 13.162 12.759 -8.877 1.00 0.00 H new ATOM 0 HH TYR A 3 12.871 13.741 -10.844 1.00 0.00 H new ATOM 68 N ASP A 4 7.576 13.343 -3.457 1.00 0.00 N ATOM 69 CA ASP A 4 6.526 12.982 -2.523 1.00 0.00 C ATOM 70 C ASP A 4 5.325 13.856 -2.871 1.00 0.00 C ATOM 71 O ASP A 4 4.491 14.188 -2.037 1.00 0.00 O ATOM 72 CB ASP A 4 7.045 13.274 -1.103 1.00 0.00 C ATOM 73 CG ASP A 4 6.133 12.814 0.008 1.00 0.00 C ATOM 74 OD1 ASP A 4 6.079 11.590 0.278 1.00 0.00 O ATOM 75 OD2 ASP A 4 5.517 13.677 0.689 1.00 0.00 O ATOM 0 H ASP A 4 7.652 14.346 -3.625 1.00 0.00 H new ATOM 0 HA ASP A 4 6.242 11.931 -2.575 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.016 12.794 -0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.205 14.348 -1.003 1.00 0.00 H new ATOM 80 N TYR A 5 5.247 14.195 -4.184 1.00 0.00 N ATOM 81 CA TYR A 5 4.313 15.201 -4.729 1.00 0.00 C ATOM 82 C TYR A 5 4.637 16.548 -4.109 1.00 0.00 C ATOM 83 O TYR A 5 3.829 17.457 -4.096 1.00 0.00 O ATOM 84 CB TYR A 5 2.836 14.838 -4.496 1.00 0.00 C ATOM 85 CG TYR A 5 2.351 13.626 -5.256 1.00 0.00 C ATOM 86 CD1 TYR A 5 2.160 12.408 -4.624 1.00 0.00 C ATOM 87 CD2 TYR A 5 2.068 13.712 -6.610 1.00 0.00 C ATOM 88 CE1 TYR A 5 1.697 11.311 -5.323 1.00 0.00 C ATOM 89 CE2 TYR A 5 1.611 12.624 -7.317 1.00 0.00 C ATOM 90 CZ TYR A 5 1.425 11.427 -6.671 1.00 0.00 C ATOM 91 OH TYR A 5 0.951 10.338 -7.369 1.00 0.00 O ATOM 0 H TYR A 5 5.839 13.770 -4.897 1.00 0.00 H new ATOM 0 HA TYR A 5 4.446 15.235 -5.810 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.683 14.666 -3.431 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.219 15.693 -4.772 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.376 12.315 -3.570 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.209 14.653 -7.121 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.549 10.368 -4.818 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.400 12.711 -8.373 1.00 0.00 H new ATOM 0 HH TYR A 5 0.007 10.193 -7.148 1.00 0.00 H new ATOM 101 N SER A 6 5.875 16.647 -3.695 1.00 0.00 N ATOM 102 CA SER A 6 6.473 17.722 -2.955 1.00 0.00 C ATOM 103 C SER A 6 6.112 19.115 -3.479 1.00 0.00 C ATOM 104 O SER A 6 5.595 19.964 -2.731 1.00 0.00 O ATOM 105 CB SER A 6 7.960 17.493 -3.074 1.00 0.00 C ATOM 106 OG SER A 6 8.244 16.110 -2.857 1.00 0.00 O ATOM 0 H SER A 6 6.550 15.906 -3.887 1.00 0.00 H new ATOM 0 HA SER A 6 6.108 17.712 -1.928 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.308 17.797 -4.061 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.493 18.104 -2.346 1.00 0.00 H new ATOM 0 HG SER A 6 9.209 15.989 -2.735 1.00 0.00 H new ATOM 112 N SER A 7 6.326 19.328 -4.759 1.00 0.00 N ATOM 113 CA SER A 7 6.154 20.631 -5.342 1.00 0.00 C ATOM 114 C SER A 7 4.674 20.943 -5.531 1.00 0.00 C ATOM 115 O SER A 7 4.261 22.116 -5.564 1.00 0.00 O ATOM 116 CB SER A 7 6.924 20.697 -6.664 1.00 0.00 C ATOM 117 OG SER A 7 6.931 21.994 -7.203 1.00 0.00 O ATOM 0 H SER A 7 6.622 18.606 -5.416 1.00 0.00 H new ATOM 0 HA SER A 7 6.556 21.390 -4.671 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.950 20.365 -6.503 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.475 20.009 -7.380 1.00 0.00 H new ATOM 0 HG SER A 7 7.376 21.983 -8.076 1.00 0.00 H new ATOM 123 N LEU A 8 3.880 19.900 -5.595 1.00 0.00 N ATOM 124 CA LEU A 8 2.470 20.028 -5.815 1.00 0.00 C ATOM 125 C LEU A 8 1.747 20.221 -4.528 1.00 0.00 C ATOM 126 O LEU A 8 1.016 21.166 -4.384 1.00 0.00 O ATOM 127 CB LEU A 8 1.931 18.802 -6.526 1.00 0.00 C ATOM 128 CG LEU A 8 0.439 18.797 -6.848 1.00 0.00 C ATOM 129 CD1 LEU A 8 0.030 20.054 -7.602 1.00 0.00 C ATOM 130 CD2 LEU A 8 0.119 17.580 -7.659 1.00 0.00 C ATOM 0 H LEU A 8 4.201 18.937 -5.495 1.00 0.00 H new ATOM 0 HA LEU A 8 2.307 20.905 -6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.481 18.681 -7.459 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.149 17.929 -5.911 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.121 18.778 -5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.038 20.019 -7.816 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.249 20.931 -6.993 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.586 20.114 -8.538 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.945 17.569 -7.893 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.694 17.598 -8.585 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.375 16.686 -7.090 1.00 0.00 H new ATOM 142 N LEU A 9 1.982 19.337 -3.596 1.00 0.00 N ATOM 143 CA LEU A 9 1.320 19.319 -2.336 1.00 0.00 C ATOM 144 C LEU A 9 1.540 20.657 -1.605 1.00 0.00 C ATOM 145 O LEU A 9 0.592 21.245 -1.044 1.00 0.00 O ATOM 146 CB LEU A 9 1.903 18.142 -1.576 1.00 0.00 C ATOM 147 CG LEU A 9 1.139 17.551 -0.409 1.00 0.00 C ATOM 148 CD1 LEU A 9 1.084 18.476 0.803 1.00 0.00 C ATOM 149 CD2 LEU A 9 -0.253 17.101 -0.829 1.00 0.00 C ATOM 0 H LEU A 9 2.665 18.587 -3.705 1.00 0.00 H new ATOM 0 HA LEU A 9 0.241 19.204 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.071 17.340 -2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.881 18.446 -1.204 1.00 0.00 H new ATOM 0 HG LEU A 9 1.699 16.671 -0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.523 17.994 1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.097 18.687 1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.593 19.409 0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.775 16.682 0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.812 17.955 -1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.171 16.343 -1.608 1.00 0.00 H new ATOM 161 N GLY A 10 2.774 21.148 -1.651 1.00 0.00 N ATOM 162 CA GLY A 10 3.088 22.426 -1.056 1.00 0.00 C ATOM 163 C GLY A 10 2.338 23.551 -1.737 1.00 0.00 C ATOM 164 O GLY A 10 1.769 24.424 -1.077 1.00 0.00 O ATOM 0 H GLY A 10 3.564 20.678 -2.093 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.835 22.407 0.004 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.161 22.608 -1.125 1.00 0.00 H new ATOM 168 N LYS A 11 2.271 23.471 -3.056 1.00 0.00 N ATOM 169 CA LYS A 11 1.619 24.439 -3.872 1.00 0.00 C ATOM 170 C LYS A 11 0.122 24.433 -3.567 1.00 0.00 C ATOM 171 O LYS A 11 -0.491 25.483 -3.413 1.00 0.00 O ATOM 172 CB LYS A 11 1.852 24.046 -5.310 1.00 0.00 C ATOM 173 CG LYS A 11 1.550 25.102 -6.307 1.00 0.00 C ATOM 174 CD LYS A 11 2.550 26.272 -6.272 1.00 0.00 C ATOM 175 CE LYS A 11 3.966 25.913 -6.807 1.00 0.00 C ATOM 176 NZ LYS A 11 4.744 24.959 -5.954 1.00 0.00 N ATOM 0 H LYS A 11 2.685 22.704 -3.587 1.00 0.00 H new ATOM 0 HA LYS A 11 2.008 25.439 -3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.894 23.747 -5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.243 23.171 -5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.550 24.662 -7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.546 25.485 -6.128 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.149 27.097 -6.861 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.640 26.628 -5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.863 25.484 -7.804 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.541 26.833 -6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.761 25.141 -6.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.479 25.090 -4.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.532 23.983 -6.243 1.00 0.00 H new ATOM 190 N ILE A 12 -0.439 23.227 -3.463 1.00 0.00 N ATOM 191 CA ILE A 12 -1.840 23.010 -3.122 1.00 0.00 C ATOM 192 C ILE A 12 -2.157 23.681 -1.804 1.00 0.00 C ATOM 193 O ILE A 12 -3.148 24.387 -1.680 1.00 0.00 O ATOM 194 CB ILE A 12 -2.183 21.486 -3.006 1.00 0.00 C ATOM 195 CG1 ILE A 12 -2.004 20.772 -4.350 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.599 21.277 -2.476 1.00 0.00 C ATOM 197 CD1 ILE A 12 -2.273 19.276 -4.300 1.00 0.00 C ATOM 0 H ILE A 12 0.079 22.362 -3.616 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.440 23.439 -3.924 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.484 21.049 -2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.672 21.226 -5.082 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.986 20.935 -4.703 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.808 20.209 -2.407 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.688 21.729 -1.488 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.314 21.743 -3.154 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.124 18.846 -5.291 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.588 18.806 -3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.300 19.102 -3.979 1.00 0.00 H new ATOM 209 N THR A 13 -1.288 23.493 -0.847 1.00 0.00 N ATOM 210 CA THR A 13 -1.467 24.035 0.473 1.00 0.00 C ATOM 211 C THR A 13 -1.468 25.566 0.445 1.00 0.00 C ATOM 212 O THR A 13 -2.345 26.216 1.021 1.00 0.00 O ATOM 213 CB THR A 13 -0.354 23.548 1.404 1.00 0.00 C ATOM 214 OG1 THR A 13 -0.307 22.094 1.381 1.00 0.00 O ATOM 215 CG2 THR A 13 -0.610 24.023 2.825 1.00 0.00 C ATOM 0 H THR A 13 -0.429 22.955 -0.963 1.00 0.00 H new ATOM 0 HA THR A 13 -2.432 23.690 0.845 1.00 0.00 H new ATOM 0 HB THR A 13 0.598 23.954 1.061 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.090 21.793 0.537 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.189 23.669 3.476 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.639 25.112 2.845 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.564 23.628 3.174 1.00 0.00 H new ATOM 223 N GLU A 14 -0.538 26.122 -0.267 1.00 0.00 N ATOM 224 CA GLU A 14 -0.380 27.542 -0.292 1.00 0.00 C ATOM 225 C GLU A 14 -1.403 28.256 -1.155 1.00 0.00 C ATOM 226 O GLU A 14 -1.615 29.452 -0.999 1.00 0.00 O ATOM 227 CB GLU A 14 1.003 27.906 -0.703 1.00 0.00 C ATOM 228 CG GLU A 14 2.072 27.472 0.262 1.00 0.00 C ATOM 229 CD GLU A 14 3.411 28.043 -0.088 1.00 0.00 C ATOM 230 OE1 GLU A 14 3.823 29.036 0.547 1.00 0.00 O ATOM 231 OE2 GLU A 14 4.074 27.519 -1.008 1.00 0.00 O ATOM 0 H GLU A 14 0.129 25.608 -0.843 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.558 27.885 0.727 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.208 27.462 -1.677 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.060 28.987 -0.827 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.798 27.783 1.270 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.133 26.384 0.270 1.00 0.00 H new ATOM 238 N LYS A 15 -2.045 27.543 -2.038 1.00 0.00 N ATOM 239 CA LYS A 15 -2.971 28.139 -2.908 1.00 0.00 C ATOM 240 C LYS A 15 -4.380 27.870 -2.485 1.00 0.00 C ATOM 241 O LYS A 15 -5.209 28.776 -2.423 1.00 0.00 O ATOM 242 CB LYS A 15 -2.743 27.614 -4.294 1.00 0.00 C ATOM 243 CG LYS A 15 -2.065 28.604 -5.221 1.00 0.00 C ATOM 244 CD LYS A 15 -0.640 28.904 -4.764 1.00 0.00 C ATOM 245 CE LYS A 15 -0.056 30.121 -5.464 1.00 0.00 C ATOM 246 NZ LYS A 15 -0.098 30.010 -6.935 1.00 0.00 N ATOM 0 H LYS A 15 -1.929 26.537 -2.160 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.824 29.219 -2.884 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.135 26.711 -4.235 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.702 27.325 -4.725 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.048 28.203 -6.235 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.641 29.529 -5.254 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.633 29.069 -3.687 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.008 28.037 -4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.606 31.010 -5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.977 30.258 -5.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.836 30.245 -7.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.352 29.038 -7.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.808 30.669 -7.313 1.00 0.00 H new ATOM 260 N CYS A 16 -4.643 26.644 -2.168 1.00 0.00 N ATOM 261 CA CYS A 16 -5.927 26.214 -1.864 1.00 0.00 C ATOM 262 C CYS A 16 -6.003 25.901 -0.398 1.00 0.00 C ATOM 263 O CYS A 16 -6.907 26.317 0.285 1.00 0.00 O ATOM 264 CB CYS A 16 -6.197 24.973 -2.680 1.00 0.00 C ATOM 265 SG CYS A 16 -6.113 25.218 -4.465 1.00 0.00 S ATOM 0 H CYS A 16 -3.936 25.910 -2.118 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.667 26.980 -2.095 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.478 24.204 -2.397 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.186 24.594 -2.424 1.00 0.00 H new ATOM 0 HG CYS A 16 -5.828 24.090 -5.045 1.00 0.00 H new ATOM 271 N GLY A 17 -5.026 25.196 0.091 1.00 0.00 N ATOM 272 CA GLY A 17 -5.037 24.817 1.453 1.00 0.00 C ATOM 273 C GLY A 17 -4.861 23.354 1.614 1.00 0.00 C ATOM 274 O GLY A 17 -3.888 22.879 2.202 1.00 0.00 O ATOM 0 H GLY A 17 -4.216 24.877 -0.441 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.241 25.340 1.983 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.979 25.123 1.909 1.00 0.00 H new ATOM 278 N THR A 18 -5.786 22.645 1.069 1.00 0.00 N ATOM 279 CA THR A 18 -5.852 21.211 1.176 1.00 0.00 C ATOM 280 C THR A 18 -6.288 20.638 -0.162 1.00 0.00 C ATOM 281 O THR A 18 -6.634 21.405 -1.081 1.00 0.00 O ATOM 282 CB THR A 18 -6.905 20.844 2.236 1.00 0.00 C ATOM 283 OG1 THR A 18 -8.156 21.442 1.860 1.00 0.00 O ATOM 284 CG2 THR A 18 -6.497 21.368 3.598 1.00 0.00 C ATOM 0 H THR A 18 -6.544 23.048 0.519 1.00 0.00 H new ATOM 0 HA THR A 18 -4.878 20.810 1.456 1.00 0.00 H new ATOM 0 HB THR A 18 -6.995 19.759 2.292 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.716 21.556 2.656 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.255 21.098 4.334 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.541 20.930 3.885 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.402 22.453 3.557 1.00 0.00 H new ATOM 292 N GLN A 19 -6.306 19.314 -0.270 1.00 0.00 N ATOM 293 CA GLN A 19 -6.752 18.627 -1.481 1.00 0.00 C ATOM 294 C GLN A 19 -8.238 18.813 -1.610 1.00 0.00 C ATOM 295 O GLN A 19 -8.792 18.829 -2.702 1.00 0.00 O ATOM 296 CB GLN A 19 -6.425 17.121 -1.455 1.00 0.00 C ATOM 297 CG GLN A 19 -4.947 16.787 -1.343 1.00 0.00 C ATOM 298 CD GLN A 19 -4.351 17.003 0.043 1.00 0.00 C ATOM 299 OE1 GLN A 19 -3.844 18.078 0.364 1.00 0.00 O ATOM 300 NE2 GLN A 19 -4.408 16.000 0.874 1.00 0.00 N ATOM 0 H GLN A 19 -6.012 18.685 0.478 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.224 19.057 -2.332 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -6.950 16.665 -0.616 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.818 16.663 -2.363 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.801 15.745 -1.629 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.395 17.395 -2.060 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.834 15.120 0.583 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.027 16.095 1.815 1.00 0.00 H new ATOM 309 N TYR A 20 -8.850 18.949 -0.462 1.00 0.00 N ATOM 310 CA TYR A 20 -10.262 19.279 -0.316 1.00 0.00 C ATOM 311 C TYR A 20 -10.539 20.574 -1.065 1.00 0.00 C ATOM 312 O TYR A 20 -11.360 20.631 -1.959 1.00 0.00 O ATOM 313 CB TYR A 20 -10.548 19.516 1.164 1.00 0.00 C ATOM 314 CG TYR A 20 -12.009 19.719 1.549 1.00 0.00 C ATOM 315 CD1 TYR A 20 -12.692 18.757 2.264 1.00 0.00 C ATOM 316 CD2 TYR A 20 -12.680 20.893 1.230 1.00 0.00 C ATOM 317 CE1 TYR A 20 -14.001 18.958 2.661 1.00 0.00 C ATOM 318 CE2 TYR A 20 -13.987 21.100 1.607 1.00 0.00 C ATOM 319 CZ TYR A 20 -14.642 20.133 2.328 1.00 0.00 C ATOM 320 OH TYR A 20 -15.944 20.347 2.739 1.00 0.00 O ATOM 0 H TYR A 20 -8.372 18.831 0.431 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.882 18.472 -0.706 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -10.162 18.666 1.727 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -9.985 20.393 1.484 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -12.196 17.832 2.518 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -12.164 21.661 0.673 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -14.519 18.199 3.229 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.493 22.015 1.338 1.00 0.00 H new ATOM 0 HH TYR A 20 -16.247 21.224 2.422 1.00 0.00 H new ATOM 330 N ASN A 21 -9.834 21.609 -0.671 1.00 0.00 N ATOM 331 CA ASN A 21 -9.990 22.933 -1.267 1.00 0.00 C ATOM 332 C ASN A 21 -9.575 22.943 -2.730 1.00 0.00 C ATOM 333 O ASN A 21 -10.162 23.656 -3.551 1.00 0.00 O ATOM 334 CB ASN A 21 -9.170 23.971 -0.532 1.00 0.00 C ATOM 335 CG ASN A 21 -9.556 24.190 0.913 1.00 0.00 C ATOM 336 OD1 ASN A 21 -10.672 23.904 1.326 1.00 0.00 O ATOM 337 ND2 ASN A 21 -8.665 24.796 1.660 1.00 0.00 N ATOM 0 H ASN A 21 -9.135 21.566 0.070 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.049 23.179 -1.189 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.121 23.677 -0.571 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.255 24.920 -1.062 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.892 25.046 2.623 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.745 25.017 1.279 1.00 0.00 H new ATOM 344 N PHE A 22 -8.520 22.200 -3.025 1.00 0.00 N ATOM 345 CA PHE A 22 -8.025 21.989 -4.395 1.00 0.00 C ATOM 346 C PHE A 22 -9.169 21.528 -5.249 1.00 0.00 C ATOM 347 O PHE A 22 -9.445 22.099 -6.303 1.00 0.00 O ATOM 348 CB PHE A 22 -6.969 20.882 -4.388 1.00 0.00 C ATOM 349 CG PHE A 22 -6.296 20.610 -5.719 1.00 0.00 C ATOM 350 CD1 PHE A 22 -6.868 19.746 -6.641 1.00 0.00 C ATOM 351 CD2 PHE A 22 -5.094 21.196 -6.031 1.00 0.00 C ATOM 352 CE1 PHE A 22 -6.251 19.480 -7.845 1.00 0.00 C ATOM 353 CE2 PHE A 22 -4.469 20.933 -7.238 1.00 0.00 C ATOM 354 CZ PHE A 22 -5.049 20.075 -8.144 1.00 0.00 C ATOM 0 H PHE A 22 -7.969 21.716 -2.316 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.598 22.916 -4.777 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.201 21.142 -3.659 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.437 19.960 -4.043 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.812 19.274 -6.412 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.630 21.870 -5.326 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.711 18.805 -8.552 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.524 21.402 -7.469 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.562 19.870 -9.086 1.00 0.00 H new ATOM 364 N ALA A 23 -9.812 20.476 -4.764 1.00 0.00 N ATOM 365 CA ALA A 23 -10.974 19.871 -5.389 1.00 0.00 C ATOM 366 C ALA A 23 -11.997 20.944 -5.755 1.00 0.00 C ATOM 367 O ALA A 23 -12.430 21.031 -6.898 1.00 0.00 O ATOM 368 CB ALA A 23 -11.617 18.889 -4.423 1.00 0.00 C ATOM 0 H ALA A 23 -9.531 20.009 -3.902 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.654 19.353 -6.293 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.490 18.435 -4.893 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.899 18.111 -4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.924 19.416 -3.520 1.00 0.00 H new ATOM 374 N ILE A 24 -12.329 21.785 -4.778 1.00 0.00 N ATOM 375 CA ILE A 24 -13.304 22.859 -4.925 1.00 0.00 C ATOM 376 C ILE A 24 -12.907 23.826 -6.053 1.00 0.00 C ATOM 377 O ILE A 24 -13.706 24.119 -6.969 1.00 0.00 O ATOM 378 CB ILE A 24 -13.396 23.671 -3.616 1.00 0.00 C ATOM 379 CG1 ILE A 24 -13.650 22.752 -2.414 1.00 0.00 C ATOM 380 CG2 ILE A 24 -14.482 24.750 -3.709 1.00 0.00 C ATOM 381 CD1 ILE A 24 -14.951 21.988 -2.433 1.00 0.00 C ATOM 0 H ILE A 24 -11.919 21.737 -3.845 1.00 0.00 H new ATOM 0 HA ILE A 24 -14.262 22.397 -5.163 1.00 0.00 H new ATOM 0 HB ILE A 24 -12.437 24.168 -3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.831 22.036 -2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.618 23.355 -1.507 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -14.524 25.306 -2.772 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.248 25.433 -4.526 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.447 24.279 -3.895 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -15.024 21.372 -1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -15.785 22.690 -2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.985 21.350 -3.316 1.00 0.00 H new ATOM 393 N ALA A 25 -11.677 24.294 -5.990 1.00 0.00 N ATOM 394 CA ALA A 25 -11.156 25.265 -6.938 1.00 0.00 C ATOM 395 C ALA A 25 -11.033 24.678 -8.346 1.00 0.00 C ATOM 396 O ALA A 25 -11.325 25.348 -9.339 1.00 0.00 O ATOM 397 CB ALA A 25 -9.817 25.798 -6.454 1.00 0.00 C ATOM 0 H ALA A 25 -11.005 24.011 -5.277 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.866 26.090 -6.997 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.434 26.525 -7.170 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.946 26.278 -5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.110 24.974 -6.360 1.00 0.00 H new ATOM 403 N MET A 26 -10.614 23.433 -8.427 1.00 0.00 N ATOM 404 CA MET A 26 -10.459 22.748 -9.666 1.00 0.00 C ATOM 405 C MET A 26 -11.833 22.463 -10.275 1.00 0.00 C ATOM 406 O MET A 26 -12.076 22.739 -11.449 1.00 0.00 O ATOM 407 CB MET A 26 -9.748 21.463 -9.352 1.00 0.00 C ATOM 408 CG MET A 26 -9.062 20.779 -10.492 1.00 0.00 C ATOM 409 SD MET A 26 -10.165 20.132 -11.762 1.00 0.00 S ATOM 410 CE MET A 26 -8.971 19.380 -12.851 1.00 0.00 C ATOM 0 H MET A 26 -10.371 22.870 -7.612 1.00 0.00 H new ATOM 0 HA MET A 26 -9.895 23.341 -10.386 1.00 0.00 H new ATOM 0 HB2 MET A 26 -9.006 21.665 -8.580 1.00 0.00 H new ATOM 0 HB3 MET A 26 -10.472 20.769 -8.925 1.00 0.00 H new ATOM 0 HG2 MET A 26 -8.370 21.482 -10.956 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.464 19.957 -10.097 1.00 0.00 H new ATOM 0 HE1 MET A 26 -9.424 19.215 -13.829 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.109 20.039 -12.956 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.649 18.425 -12.435 1.00 0.00 H new ATOM 420 N GLY A 27 -12.740 21.983 -9.457 1.00 0.00 N ATOM 421 CA GLY A 27 -14.041 21.592 -9.941 1.00 0.00 C ATOM 422 C GLY A 27 -14.214 20.098 -9.841 1.00 0.00 C ATOM 423 O GLY A 27 -14.912 19.475 -10.648 1.00 0.00 O ATOM 0 H GLY A 27 -12.600 21.854 -8.455 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.817 22.093 -9.362 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.161 21.909 -10.977 1.00 0.00 H new ATOM 427 N LEU A 28 -13.576 19.533 -8.854 1.00 0.00 N ATOM 428 CA LEU A 28 -13.591 18.119 -8.595 1.00 0.00 C ATOM 429 C LEU A 28 -14.235 17.848 -7.267 1.00 0.00 C ATOM 430 O LEU A 28 -14.510 18.767 -6.492 1.00 0.00 O ATOM 431 CB LEU A 28 -12.160 17.580 -8.512 1.00 0.00 C ATOM 432 CG LEU A 28 -11.350 17.519 -9.790 1.00 0.00 C ATOM 433 CD1 LEU A 28 -9.932 17.112 -9.463 1.00 0.00 C ATOM 434 CD2 LEU A 28 -11.954 16.502 -10.718 1.00 0.00 C ATOM 0 H LEU A 28 -13.013 20.060 -8.186 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.141 17.638 -9.404 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.612 18.195 -7.798 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.206 16.573 -8.097 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.352 18.498 -10.269 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.346 17.067 -10.381 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.491 17.843 -8.786 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.936 16.132 -8.986 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.371 16.458 -11.638 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.949 15.523 -10.238 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.980 16.787 -10.952 1.00 0.00 H new ATOM 446 N SER A 29 -14.460 16.609 -7.013 1.00 0.00 N ATOM 447 CA SER A 29 -14.874 16.164 -5.739 1.00 0.00 C ATOM 448 C SER A 29 -13.606 15.733 -5.042 1.00 0.00 C ATOM 449 O SER A 29 -12.750 15.121 -5.689 1.00 0.00 O ATOM 450 CB SER A 29 -15.823 15.002 -5.896 1.00 0.00 C ATOM 451 OG SER A 29 -16.957 15.376 -6.684 1.00 0.00 O ATOM 0 H SER A 29 -14.358 15.864 -7.702 1.00 0.00 H new ATOM 0 HA SER A 29 -15.398 16.934 -5.172 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.307 14.166 -6.367 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.153 14.661 -4.915 1.00 0.00 H new ATOM 0 HG SER A 29 -17.559 14.608 -6.775 1.00 0.00 H new ATOM 457 N GLU A 30 -13.454 16.063 -3.768 1.00 0.00 N ATOM 458 CA GLU A 30 -12.216 15.773 -3.020 1.00 0.00 C ATOM 459 C GLU A 30 -11.827 14.296 -3.124 1.00 0.00 C ATOM 460 O GLU A 30 -10.660 13.961 -3.274 1.00 0.00 O ATOM 461 CB GLU A 30 -12.309 16.249 -1.557 1.00 0.00 C ATOM 462 CG GLU A 30 -13.238 15.459 -0.656 1.00 0.00 C ATOM 463 CD GLU A 30 -14.665 15.382 -1.147 1.00 0.00 C ATOM 464 OE1 GLU A 30 -15.036 14.366 -1.759 1.00 0.00 O ATOM 465 OE2 GLU A 30 -15.424 16.332 -0.961 1.00 0.00 O ATOM 0 H GLU A 30 -14.172 16.535 -3.218 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.413 16.344 -3.486 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.309 16.225 -1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.632 17.290 -1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.848 14.447 -0.550 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.232 15.909 0.337 1.00 0.00 H new ATOM 472 N ARG A 31 -12.834 13.456 -3.107 1.00 0.00 N ATOM 473 CA ARG A 31 -12.738 12.018 -3.270 1.00 0.00 C ATOM 474 C ARG A 31 -11.973 11.656 -4.542 1.00 0.00 C ATOM 475 O ARG A 31 -11.060 10.841 -4.529 1.00 0.00 O ATOM 476 CB ARG A 31 -14.150 11.504 -3.421 1.00 0.00 C ATOM 477 CG ARG A 31 -14.314 10.009 -3.357 1.00 0.00 C ATOM 478 CD ARG A 31 -13.924 9.467 -2.004 1.00 0.00 C ATOM 479 NE ARG A 31 -14.293 8.066 -1.870 1.00 0.00 N ATOM 480 CZ ARG A 31 -14.494 7.445 -0.712 1.00 0.00 C ATOM 481 NH1 ARG A 31 -14.271 8.081 0.435 1.00 0.00 N ATOM 482 NH2 ARG A 31 -14.917 6.193 -0.705 1.00 0.00 N ATOM 0 H ARG A 31 -13.795 13.770 -2.972 1.00 0.00 H new ATOM 0 HA ARG A 31 -12.217 11.587 -2.416 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.765 11.952 -2.640 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.543 11.853 -4.376 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.350 9.746 -3.570 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -13.701 9.541 -4.128 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -12.849 9.577 -1.862 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -14.411 10.050 -1.222 1.00 0.00 H new ATOM 0 HE ARG A 31 -14.405 7.522 -2.725 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.945 9.047 0.427 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -14.426 7.602 1.322 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -15.088 5.707 -1.586 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -15.073 5.712 0.181 1.00 0.00 H new ATOM 496 N THR A 32 -12.332 12.314 -5.609 1.00 0.00 N ATOM 497 CA THR A 32 -11.820 12.032 -6.922 1.00 0.00 C ATOM 498 C THR A 32 -10.350 12.403 -6.998 1.00 0.00 C ATOM 499 O THR A 32 -9.524 11.649 -7.531 1.00 0.00 O ATOM 500 CB THR A 32 -12.601 12.857 -7.943 1.00 0.00 C ATOM 501 OG1 THR A 32 -13.985 12.835 -7.572 1.00 0.00 O ATOM 502 CG2 THR A 32 -12.434 12.280 -9.338 1.00 0.00 C ATOM 0 H THR A 32 -13.005 13.080 -5.590 1.00 0.00 H new ATOM 0 HA THR A 32 -11.929 10.968 -7.134 1.00 0.00 H new ATOM 0 HB THR A 32 -12.224 13.880 -7.953 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.495 13.413 -8.177 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.998 12.882 -10.051 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.379 12.288 -9.611 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.805 11.255 -9.355 1.00 0.00 H new ATOM 510 N VAL A 33 -10.028 13.551 -6.430 1.00 0.00 N ATOM 511 CA VAL A 33 -8.683 14.052 -6.416 1.00 0.00 C ATOM 512 C VAL A 33 -7.866 13.152 -5.561 1.00 0.00 C ATOM 513 O VAL A 33 -6.743 12.853 -5.888 1.00 0.00 O ATOM 514 CB VAL A 33 -8.588 15.440 -5.791 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.570 16.265 -6.463 1.00 0.00 C ATOM 516 CG2 VAL A 33 -9.871 16.124 -5.774 1.00 0.00 C ATOM 0 H VAL A 33 -10.703 14.159 -5.965 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.339 14.099 -7.449 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.281 15.294 -4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.529 17.247 -5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.597 15.782 -6.379 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.830 16.378 -7.516 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.753 17.108 -5.320 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.237 16.237 -6.795 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.587 15.541 -5.195 1.00 0.00 H new ATOM 526 N SER A 34 -8.462 12.697 -4.473 1.00 0.00 N ATOM 527 CA SER A 34 -7.782 11.840 -3.561 1.00 0.00 C ATOM 528 C SER A 34 -7.393 10.520 -4.252 1.00 0.00 C ATOM 529 O SER A 34 -6.287 10.033 -4.090 1.00 0.00 O ATOM 530 CB SER A 34 -8.610 11.594 -2.288 1.00 0.00 C ATOM 531 OG SER A 34 -8.916 12.830 -1.637 1.00 0.00 O ATOM 0 H SER A 34 -9.423 12.918 -4.212 1.00 0.00 H new ATOM 0 HA SER A 34 -6.865 12.339 -3.247 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.533 11.074 -2.544 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.057 10.946 -1.608 1.00 0.00 H new ATOM 0 HG SER A 34 -9.695 13.241 -2.066 1.00 0.00 H new ATOM 537 N LEU A 35 -8.294 9.981 -5.071 1.00 0.00 N ATOM 538 CA LEU A 35 -8.012 8.754 -5.795 1.00 0.00 C ATOM 539 C LEU A 35 -6.912 8.986 -6.852 1.00 0.00 C ATOM 540 O LEU A 35 -5.958 8.187 -6.968 1.00 0.00 O ATOM 541 CB LEU A 35 -9.287 8.202 -6.450 1.00 0.00 C ATOM 542 CG LEU A 35 -10.470 7.922 -5.509 1.00 0.00 C ATOM 543 CD1 LEU A 35 -11.666 7.401 -6.287 1.00 0.00 C ATOM 544 CD2 LEU A 35 -10.089 6.943 -4.403 1.00 0.00 C ATOM 0 H LEU A 35 -9.218 10.375 -5.246 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.650 8.014 -5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.615 8.911 -7.211 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.033 7.276 -6.966 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.743 8.867 -5.039 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.491 7.210 -5.601 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.972 8.143 -7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.395 6.476 -6.795 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.950 6.770 -3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -9.772 5.999 -4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -9.272 7.360 -3.814 1.00 0.00 H new ATOM 556 N LYS A 36 -7.049 10.086 -7.604 1.00 0.00 N ATOM 557 CA LYS A 36 -6.113 10.475 -8.650 1.00 0.00 C ATOM 558 C LYS A 36 -4.743 10.827 -8.152 1.00 0.00 C ATOM 559 O LYS A 36 -3.751 10.343 -8.658 1.00 0.00 O ATOM 560 CB LYS A 36 -6.670 11.642 -9.391 1.00 0.00 C ATOM 561 CG LYS A 36 -7.625 11.230 -10.446 1.00 0.00 C ATOM 562 CD LYS A 36 -8.563 12.317 -10.739 1.00 0.00 C ATOM 563 CE LYS A 36 -9.523 11.907 -11.822 1.00 0.00 C ATOM 564 NZ LYS A 36 -8.858 11.782 -13.136 1.00 0.00 N ATOM 0 H LYS A 36 -7.827 10.736 -7.496 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.994 9.603 -9.293 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.171 12.310 -8.690 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.854 12.207 -9.842 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.082 10.956 -11.350 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.173 10.345 -10.123 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.115 12.582 -9.837 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.013 13.206 -11.049 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.983 10.955 -11.557 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.326 12.641 -11.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.504 11.323 -13.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.605 12.727 -13.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.997 11.208 -13.036 1.00 0.00 H new ATOM 578 N LEU A 37 -4.701 11.673 -7.165 1.00 0.00 N ATOM 579 CA LEU A 37 -3.464 12.196 -6.648 1.00 0.00 C ATOM 580 C LEU A 37 -2.732 11.170 -5.832 1.00 0.00 C ATOM 581 O LEU A 37 -1.516 11.224 -5.721 1.00 0.00 O ATOM 582 CB LEU A 37 -3.729 13.486 -5.847 1.00 0.00 C ATOM 583 CG LEU A 37 -2.550 14.199 -5.250 1.00 0.00 C ATOM 584 CD1 LEU A 37 -1.852 14.990 -6.276 1.00 0.00 C ATOM 585 CD2 LEU A 37 -2.938 15.042 -4.052 1.00 0.00 C ATOM 0 H LEU A 37 -5.532 12.025 -6.689 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.815 12.446 -7.487 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.246 14.186 -6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.416 13.241 -5.037 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.858 13.443 -4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.000 15.500 -5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.501 14.329 -7.069 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.536 15.728 -6.695 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.053 15.538 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.669 15.792 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.372 14.403 -3.283 1.00 0.00 H new ATOM 597 N ASN A 38 -3.447 10.215 -5.292 1.00 0.00 N ATOM 598 CA ASN A 38 -2.788 9.236 -4.485 1.00 0.00 C ATOM 599 C ASN A 38 -2.108 8.181 -5.341 1.00 0.00 C ATOM 600 O ASN A 38 -0.871 8.127 -5.398 1.00 0.00 O ATOM 601 CB ASN A 38 -3.729 8.575 -3.471 1.00 0.00 C ATOM 602 CG ASN A 38 -3.012 7.642 -2.482 1.00 0.00 C ATOM 603 OD1 ASN A 38 -1.828 7.800 -2.188 1.00 0.00 O ATOM 604 ND2 ASN A 38 -3.734 6.702 -1.928 1.00 0.00 N ATOM 0 H ASN A 38 -4.455 10.100 -5.395 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.026 9.771 -3.918 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.250 9.352 -2.912 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.487 8.006 -4.009 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.317 6.080 -1.235 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.714 6.591 -2.189 1.00 0.00 H new ATOM 611 N ASP A 39 -2.893 7.383 -6.072 1.00 0.00 N ATOM 612 CA ASP A 39 -2.296 6.227 -6.738 1.00 0.00 C ATOM 613 C ASP A 39 -3.193 5.536 -7.767 1.00 0.00 C ATOM 614 O ASP A 39 -2.668 4.905 -8.689 1.00 0.00 O ATOM 615 CB ASP A 39 -1.912 5.169 -5.681 1.00 0.00 C ATOM 616 CG ASP A 39 -3.124 4.483 -5.049 1.00 0.00 C ATOM 617 OD1 ASP A 39 -3.172 3.242 -5.036 1.00 0.00 O ATOM 618 OD2 ASP A 39 -4.069 5.178 -4.584 1.00 0.00 O ATOM 0 H ASP A 39 -3.896 7.507 -6.213 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.436 6.626 -7.277 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.277 4.415 -6.145 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.322 5.645 -4.898 1.00 0.00 H new ATOM 623 N LYS A 40 -4.520 5.641 -7.663 1.00 0.00 N ATOM 624 CA LYS A 40 -5.352 4.804 -8.476 1.00 0.00 C ATOM 625 C LYS A 40 -5.490 5.317 -9.833 1.00 0.00 C ATOM 626 O LYS A 40 -5.559 4.551 -10.792 1.00 0.00 O ATOM 627 CB LYS A 40 -6.735 4.661 -7.901 1.00 0.00 C ATOM 628 CG LYS A 40 -6.762 4.162 -6.470 1.00 0.00 C ATOM 629 CD LYS A 40 -8.169 3.840 -6.003 1.00 0.00 C ATOM 630 CE LYS A 40 -8.141 3.285 -4.591 1.00 0.00 C ATOM 631 NZ LYS A 40 -9.456 2.806 -4.132 1.00 0.00 N ATOM 0 H LYS A 40 -5.013 6.281 -7.040 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.853 3.835 -8.497 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.238 5.627 -7.947 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.307 3.974 -8.525 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.140 3.271 -6.386 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.327 4.917 -5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.785 4.739 -6.036 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.626 3.115 -6.677 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.425 2.464 -4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.785 4.058 -3.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.373 2.439 -3.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.137 3.592 -4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.788 2.048 -4.761 1.00 0.00 H new ATOM 645 N VAL A 41 -5.521 6.595 -9.947 1.00 0.00 N ATOM 646 CA VAL A 41 -5.865 7.124 -11.183 1.00 0.00 C ATOM 647 C VAL A 41 -4.820 8.118 -11.593 1.00 0.00 C ATOM 648 O VAL A 41 -3.915 8.426 -10.825 1.00 0.00 O ATOM 649 CB VAL A 41 -7.249 7.811 -11.136 1.00 0.00 C ATOM 650 CG1 VAL A 41 -8.034 7.317 -12.257 1.00 0.00 C ATOM 651 CG2 VAL A 41 -8.004 7.558 -9.860 1.00 0.00 C ATOM 0 H VAL A 41 -5.315 7.268 -9.209 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.920 6.312 -11.908 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.084 8.887 -11.190 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.018 7.787 -12.248 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.526 7.557 -13.191 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.147 6.236 -12.174 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.965 8.071 -9.898 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.168 6.487 -9.741 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.426 7.933 -9.015 1.00 0.00 H new ATOM 661 N THR A 42 -4.937 8.597 -12.771 1.00 0.00 N ATOM 662 CA THR A 42 -4.023 9.530 -13.313 1.00 0.00 C ATOM 663 C THR A 42 -4.821 10.780 -13.756 1.00 0.00 C ATOM 664 O THR A 42 -6.072 10.810 -13.631 1.00 0.00 O ATOM 665 CB THR A 42 -3.319 8.870 -14.522 1.00 0.00 C ATOM 666 OG1 THR A 42 -3.007 7.498 -14.195 1.00 0.00 O ATOM 667 CG2 THR A 42 -2.024 9.573 -14.854 1.00 0.00 C ATOM 0 H THR A 42 -5.694 8.344 -13.406 1.00 0.00 H new ATOM 0 HA THR A 42 -3.270 9.827 -12.583 1.00 0.00 H new ATOM 0 HB THR A 42 -3.991 8.933 -15.378 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.562 7.073 -14.958 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.554 9.085 -15.708 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.228 10.615 -15.099 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.354 9.526 -13.995 1.00 0.00 H new ATOM 675 N TRP A 43 -4.133 11.788 -14.222 1.00 0.00 N ATOM 676 CA TRP A 43 -4.752 12.994 -14.683 1.00 0.00 C ATOM 677 C TRP A 43 -4.714 13.047 -16.192 1.00 0.00 C ATOM 678 O TRP A 43 -3.696 12.710 -16.812 1.00 0.00 O ATOM 679 CB TRP A 43 -4.000 14.218 -14.161 1.00 0.00 C ATOM 680 CG TRP A 43 -3.932 14.345 -12.676 1.00 0.00 C ATOM 681 CD1 TRP A 43 -4.792 15.032 -11.877 1.00 0.00 C ATOM 682 CD2 TRP A 43 -2.933 13.788 -11.808 1.00 0.00 C ATOM 683 NE1 TRP A 43 -4.386 14.943 -10.571 1.00 0.00 N ATOM 684 CE2 TRP A 43 -3.252 14.186 -10.503 1.00 0.00 C ATOM 685 CE3 TRP A 43 -1.802 12.990 -12.012 1.00 0.00 C ATOM 686 CZ2 TRP A 43 -2.486 13.824 -9.407 1.00 0.00 C ATOM 687 CZ3 TRP A 43 -1.040 12.627 -10.920 1.00 0.00 C ATOM 688 CH2 TRP A 43 -1.385 13.044 -9.632 1.00 0.00 C ATOM 0 H TRP A 43 -3.115 11.791 -14.291 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.780 13.001 -14.320 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.983 14.192 -14.553 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.474 15.113 -14.563 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.665 15.568 -12.220 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.857 15.374 -9.776 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.530 12.664 -13.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -2.749 14.146 -8.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.164 12.012 -11.063 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.770 12.744 -8.797 1.00 0.00 H new ATOM 699 N LYS A 44 -5.804 13.436 -16.774 1.00 0.00 N ATOM 700 CA LYS A 44 -5.860 13.720 -18.175 1.00 0.00 C ATOM 701 C LYS A 44 -5.249 15.095 -18.392 1.00 0.00 C ATOM 702 O LYS A 44 -5.109 15.871 -17.436 1.00 0.00 O ATOM 703 CB LYS A 44 -7.307 13.708 -18.672 1.00 0.00 C ATOM 704 CG LYS A 44 -8.008 12.341 -18.778 1.00 0.00 C ATOM 705 CD LYS A 44 -7.546 11.507 -19.991 1.00 0.00 C ATOM 706 CE LYS A 44 -6.326 10.632 -19.720 1.00 0.00 C ATOM 707 NZ LYS A 44 -6.599 9.588 -18.701 1.00 0.00 N ATOM 0 H LYS A 44 -6.690 13.567 -16.286 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.311 12.961 -18.732 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.897 14.338 -18.007 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.329 14.175 -19.657 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.823 11.774 -17.865 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.085 12.497 -18.843 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.370 10.872 -20.316 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.319 12.182 -20.816 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.009 10.157 -20.648 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.500 11.258 -19.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.875 8.844 -18.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.576 10.014 -17.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.537 9.174 -18.871 1.00 0.00 H new ATOM 721 N ASP A 45 -4.922 15.408 -19.619 1.00 0.00 N ATOM 722 CA ASP A 45 -4.266 16.677 -19.950 1.00 0.00 C ATOM 723 C ASP A 45 -5.140 17.859 -19.575 1.00 0.00 C ATOM 724 O ASP A 45 -4.657 18.857 -19.048 1.00 0.00 O ATOM 725 CB ASP A 45 -3.894 16.725 -21.428 1.00 0.00 C ATOM 726 CG ASP A 45 -3.167 17.989 -21.805 1.00 0.00 C ATOM 727 OD1 ASP A 45 -3.780 18.890 -22.405 1.00 0.00 O ATOM 728 OD2 ASP A 45 -1.964 18.095 -21.516 1.00 0.00 O ATOM 0 H ASP A 45 -5.095 14.805 -20.423 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.348 16.742 -19.366 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.268 15.866 -21.669 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.799 16.639 -22.029 1.00 0.00 H new ATOM 733 N ASP A 46 -6.436 17.707 -19.795 1.00 0.00 N ATOM 734 CA ASP A 46 -7.431 18.727 -19.435 1.00 0.00 C ATOM 735 C ASP A 46 -7.398 19.016 -17.941 1.00 0.00 C ATOM 736 O ASP A 46 -7.534 20.165 -17.512 1.00 0.00 O ATOM 737 CB ASP A 46 -8.837 18.265 -19.826 1.00 0.00 C ATOM 738 CG ASP A 46 -9.901 19.276 -19.456 1.00 0.00 C ATOM 739 OD1 ASP A 46 -10.545 19.140 -18.387 1.00 0.00 O ATOM 740 OD2 ASP A 46 -10.106 20.232 -20.212 1.00 0.00 O ATOM 0 H ASP A 46 -6.837 16.875 -20.228 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.182 19.638 -19.979 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.871 18.083 -20.900 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.054 17.317 -19.335 1.00 0.00 H new ATOM 745 N GLU A 47 -7.155 17.975 -17.164 1.00 0.00 N ATOM 746 CA GLU A 47 -7.128 18.084 -15.722 1.00 0.00 C ATOM 747 C GLU A 47 -5.872 18.818 -15.302 1.00 0.00 C ATOM 748 O GLU A 47 -5.911 19.702 -14.436 1.00 0.00 O ATOM 749 CB GLU A 47 -7.204 16.700 -15.064 1.00 0.00 C ATOM 750 CG GLU A 47 -8.467 15.924 -15.413 1.00 0.00 C ATOM 751 CD GLU A 47 -8.529 14.566 -14.752 1.00 0.00 C ATOM 752 OE1 GLU A 47 -9.125 14.437 -13.676 1.00 0.00 O ATOM 753 OE2 GLU A 47 -8.004 13.591 -15.306 1.00 0.00 O ATOM 0 H GLU A 47 -6.972 17.035 -17.516 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.999 18.648 -15.389 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.335 16.116 -15.366 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.149 16.819 -13.982 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.339 16.507 -15.115 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.522 15.798 -16.494 1.00 0.00 H new ATOM 760 N ILE A 48 -4.773 18.480 -15.963 1.00 0.00 N ATOM 761 CA ILE A 48 -3.491 19.116 -15.729 1.00 0.00 C ATOM 762 C ILE A 48 -3.592 20.611 -16.037 1.00 0.00 C ATOM 763 O ILE A 48 -3.311 21.437 -15.175 1.00 0.00 O ATOM 764 CB ILE A 48 -2.362 18.469 -16.593 1.00 0.00 C ATOM 765 CG1 ILE A 48 -2.250 16.968 -16.275 1.00 0.00 C ATOM 766 CG2 ILE A 48 -1.020 19.171 -16.350 1.00 0.00 C ATOM 767 CD1 ILE A 48 -1.216 16.226 -17.099 1.00 0.00 C ATOM 0 H ILE A 48 -4.749 17.754 -16.679 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.231 18.973 -14.680 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.620 18.588 -17.645 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.007 16.850 -15.219 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.223 16.503 -16.432 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.249 18.704 -16.962 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.107 20.224 -16.617 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.750 19.085 -15.298 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.205 15.175 -16.809 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.467 16.308 -18.157 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.232 16.661 -16.925 1.00 0.00 H new ATOM 779 N LEU A 49 -4.073 20.939 -17.243 1.00 0.00 N ATOM 780 CA LEU A 49 -4.239 22.290 -17.710 1.00 0.00 C ATOM 781 C LEU A 49 -5.038 23.124 -16.735 1.00 0.00 C ATOM 782 O LEU A 49 -4.655 24.249 -16.378 1.00 0.00 O ATOM 783 CB LEU A 49 -5.009 22.248 -19.011 1.00 0.00 C ATOM 784 CG LEU A 49 -4.317 21.718 -20.249 1.00 0.00 C ATOM 785 CD1 LEU A 49 -5.304 21.722 -21.402 1.00 0.00 C ATOM 786 CD2 LEU A 49 -3.107 22.574 -20.589 1.00 0.00 C ATOM 0 H LEU A 49 -4.361 20.240 -17.928 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.251 22.734 -17.827 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.902 21.644 -18.847 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.345 23.262 -19.229 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.971 20.701 -20.065 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.816 21.342 -22.300 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.155 21.087 -21.155 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.651 22.740 -21.581 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.621 22.179 -21.481 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.427 23.599 -20.774 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.404 22.558 -19.756 1.00 0.00 H new ATOM 798 N LYS A 50 -6.130 22.563 -16.297 1.00 0.00 N ATOM 799 CA LYS A 50 -7.057 23.237 -15.455 1.00 0.00 C ATOM 800 C LYS A 50 -6.452 23.500 -14.081 1.00 0.00 C ATOM 801 O LYS A 50 -6.652 24.570 -13.506 1.00 0.00 O ATOM 802 CB LYS A 50 -8.301 22.405 -15.381 1.00 0.00 C ATOM 803 CG LYS A 50 -9.556 23.232 -15.311 1.00 0.00 C ATOM 804 CD LYS A 50 -10.703 22.557 -16.011 1.00 0.00 C ATOM 805 CE LYS A 50 -10.438 22.524 -17.501 1.00 0.00 C ATOM 806 NZ LYS A 50 -11.426 21.737 -18.255 1.00 0.00 N ATOM 0 H LYS A 50 -6.399 21.606 -16.524 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.307 24.216 -15.865 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.349 21.754 -16.254 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.248 21.759 -14.505 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.819 23.408 -14.268 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.376 24.207 -15.764 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.829 21.543 -15.631 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.631 23.091 -15.808 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.430 23.545 -17.883 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.445 22.110 -17.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.267 21.866 -19.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.326 20.730 -18.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.385 22.058 -18.011 1.00 0.00 H new ATOM 820 N ALA A 51 -5.665 22.553 -13.588 1.00 0.00 N ATOM 821 CA ALA A 51 -4.983 22.710 -12.314 1.00 0.00 C ATOM 822 C ALA A 51 -3.893 23.773 -12.434 1.00 0.00 C ATOM 823 O ALA A 51 -3.768 24.643 -11.572 1.00 0.00 O ATOM 824 CB ALA A 51 -4.395 21.386 -11.847 1.00 0.00 C ATOM 0 H ALA A 51 -5.484 21.665 -14.055 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.709 23.034 -11.568 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.890 21.529 -10.892 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.194 20.654 -11.729 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.679 21.025 -12.586 1.00 0.00 H new ATOM 830 N VAL A 52 -3.149 23.729 -13.542 1.00 0.00 N ATOM 831 CA VAL A 52 -2.069 24.690 -13.835 1.00 0.00 C ATOM 832 C VAL A 52 -2.598 26.138 -13.863 1.00 0.00 C ATOM 833 O VAL A 52 -1.890 27.083 -13.507 1.00 0.00 O ATOM 834 CB VAL A 52 -1.347 24.351 -15.195 1.00 0.00 C ATOM 835 CG1 VAL A 52 -0.303 25.396 -15.567 1.00 0.00 C ATOM 836 CG2 VAL A 52 -0.683 22.984 -15.129 1.00 0.00 C ATOM 0 H VAL A 52 -3.275 23.024 -14.268 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.340 24.604 -13.029 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.119 24.348 -15.964 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.168 25.120 -16.511 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.783 26.369 -15.672 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.455 25.448 -14.785 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.191 22.772 -16.079 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.056 22.977 -14.328 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.437 22.222 -14.933 1.00 0.00 H new ATOM 846 N HIS A 53 -3.846 26.292 -14.235 1.00 0.00 N ATOM 847 CA HIS A 53 -4.463 27.604 -14.358 1.00 0.00 C ATOM 848 C HIS A 53 -4.968 28.110 -13.014 1.00 0.00 C ATOM 849 O HIS A 53 -5.087 29.310 -12.794 1.00 0.00 O ATOM 850 CB HIS A 53 -5.622 27.515 -15.318 1.00 0.00 C ATOM 851 CG HIS A 53 -6.133 28.851 -15.778 1.00 0.00 C ATOM 852 ND1 HIS A 53 -7.409 29.294 -15.546 1.00 0.00 N ATOM 853 CD2 HIS A 53 -5.516 29.840 -16.459 1.00 0.00 C ATOM 854 CE1 HIS A 53 -7.551 30.496 -16.058 1.00 0.00 C ATOM 855 NE2 HIS A 53 -6.419 30.849 -16.619 1.00 0.00 N ATOM 0 H HIS A 53 -4.468 25.516 -14.462 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.711 28.302 -14.725 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.317 26.934 -16.188 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.436 26.970 -14.840 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -4.495 29.833 -16.812 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.450 31.094 -16.023 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.243 31.733 -17.096 1.00 0.00 H new ATOM 863 N VAL A 54 -5.251 27.204 -12.135 1.00 0.00 N ATOM 864 CA VAL A 54 -5.807 27.571 -10.843 1.00 0.00 C ATOM 865 C VAL A 54 -4.686 27.775 -9.861 1.00 0.00 C ATOM 866 O VAL A 54 -4.474 28.866 -9.346 1.00 0.00 O ATOM 867 CB VAL A 54 -6.802 26.497 -10.299 1.00 0.00 C ATOM 868 CG1 VAL A 54 -7.283 26.855 -8.899 1.00 0.00 C ATOM 869 CG2 VAL A 54 -7.998 26.347 -11.224 1.00 0.00 C ATOM 0 H VAL A 54 -5.112 26.203 -12.273 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.371 28.495 -10.972 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.266 25.549 -10.255 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.974 26.090 -8.545 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.429 26.912 -8.224 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.791 27.819 -8.924 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.676 25.593 -10.823 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.520 27.301 -11.301 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.657 26.039 -12.213 1.00 0.00 H new ATOM 879 N LEU A 55 -3.944 26.729 -9.671 1.00 0.00 N ATOM 880 CA LEU A 55 -2.863 26.654 -8.770 1.00 0.00 C ATOM 881 C LEU A 55 -1.670 27.475 -9.228 1.00 0.00 C ATOM 882 O LEU A 55 -0.790 27.796 -8.420 1.00 0.00 O ATOM 883 CB LEU A 55 -2.481 25.206 -8.723 1.00 0.00 C ATOM 884 CG LEU A 55 -3.280 24.250 -7.837 1.00 0.00 C ATOM 885 CD1 LEU A 55 -2.913 24.414 -6.381 1.00 0.00 C ATOM 886 CD2 LEU A 55 -4.791 24.380 -8.003 1.00 0.00 C ATOM 0 H LEU A 55 -4.096 25.857 -10.178 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.155 27.052 -7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.525 24.822 -9.742 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.439 25.152 -8.407 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.006 23.250 -8.173 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.499 23.720 -5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.852 24.204 -6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.124 25.436 -6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.292 23.671 -7.344 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.099 25.394 -7.747 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.063 24.168 -9.037 1.00 0.00 H new ATOM 898 N GLU A 56 -1.658 27.811 -10.512 1.00 0.00 N ATOM 899 CA GLU A 56 -0.558 28.510 -11.163 1.00 0.00 C ATOM 900 C GLU A 56 0.703 27.671 -11.100 1.00 0.00 C ATOM 901 O GLU A 56 1.557 27.828 -10.212 1.00 0.00 O ATOM 902 CB GLU A 56 -0.344 29.934 -10.641 1.00 0.00 C ATOM 903 CG GLU A 56 -1.516 30.865 -10.904 1.00 0.00 C ATOM 904 CD GLU A 56 -1.268 32.250 -10.381 1.00 0.00 C ATOM 905 OE1 GLU A 56 -1.665 32.546 -9.229 1.00 0.00 O ATOM 906 OE2 GLU A 56 -0.647 33.071 -11.092 1.00 0.00 O ATOM 0 H GLU A 56 -2.431 27.600 -11.144 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.831 28.641 -12.210 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.158 29.894 -9.568 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.550 30.351 -11.104 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.707 30.912 -11.976 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.413 30.458 -10.438 1.00 0.00 H new ATOM 913 N LEU A 57 0.772 26.734 -11.996 1.00 0.00 N ATOM 914 CA LEU A 57 1.855 25.795 -12.035 1.00 0.00 C ATOM 915 C LEU A 57 2.725 26.083 -13.228 1.00 0.00 C ATOM 916 O LEU A 57 2.340 26.861 -14.106 1.00 0.00 O ATOM 917 CB LEU A 57 1.317 24.392 -12.118 1.00 0.00 C ATOM 918 CG LEU A 57 0.269 23.974 -11.062 1.00 0.00 C ATOM 919 CD1 LEU A 57 -0.194 22.549 -11.296 1.00 0.00 C ATOM 920 CD2 LEU A 57 0.819 24.115 -9.658 1.00 0.00 C ATOM 0 H LEU A 57 0.074 26.597 -12.727 1.00 0.00 H new ATOM 0 HA LEU A 57 2.447 25.890 -11.125 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.874 24.258 -13.105 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.159 23.703 -12.050 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.585 24.643 -11.166 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.931 22.277 -10.541 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.643 22.470 -12.286 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.659 21.874 -11.230 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.059 23.814 -8.937 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.697 23.480 -9.546 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.097 25.154 -9.479 1.00 0.00 H new ATOM 932 N ASN A 58 3.869 25.474 -13.275 1.00 0.00 N ATOM 933 CA ASN A 58 4.802 25.704 -14.352 1.00 0.00 C ATOM 934 C ASN A 58 4.973 24.432 -15.190 1.00 0.00 C ATOM 935 O ASN A 58 4.998 23.331 -14.640 1.00 0.00 O ATOM 936 CB ASN A 58 6.135 26.147 -13.736 1.00 0.00 C ATOM 937 CG ASN A 58 7.244 26.389 -14.727 1.00 0.00 C ATOM 938 OD1 ASN A 58 8.008 25.495 -15.032 1.00 0.00 O ATOM 939 ND2 ASN A 58 7.334 27.585 -15.234 1.00 0.00 N ATOM 0 H ASN A 58 4.189 24.805 -12.575 1.00 0.00 H new ATOM 0 HA ASN A 58 4.431 26.482 -15.019 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.969 27.062 -13.168 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.461 25.386 -13.027 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.065 27.798 -15.913 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.673 28.309 -14.953 1.00 0.00 H new ATOM 946 N PRO A 59 5.120 24.569 -16.531 1.00 0.00 N ATOM 947 CA PRO A 59 5.284 23.428 -17.456 1.00 0.00 C ATOM 948 C PRO A 59 6.559 22.608 -17.210 1.00 0.00 C ATOM 949 O PRO A 59 6.599 21.414 -17.489 1.00 0.00 O ATOM 950 CB PRO A 59 5.345 24.088 -18.842 1.00 0.00 C ATOM 951 CG PRO A 59 5.713 25.504 -18.575 1.00 0.00 C ATOM 952 CD PRO A 59 5.063 25.844 -17.274 1.00 0.00 C ATOM 0 HA PRO A 59 4.471 22.713 -17.332 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.083 23.601 -19.479 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.386 24.019 -19.355 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.795 25.625 -18.517 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.362 26.158 -19.373 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.596 26.639 -16.752 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.037 26.185 -17.412 1.00 0.00 H new ATOM 960 N GLN A 60 7.576 23.233 -16.648 1.00 0.00 N ATOM 961 CA GLN A 60 8.855 22.548 -16.431 1.00 0.00 C ATOM 962 C GLN A 60 8.796 21.821 -15.112 1.00 0.00 C ATOM 963 O GLN A 60 9.563 20.891 -14.843 1.00 0.00 O ATOM 964 CB GLN A 60 9.987 23.560 -16.362 1.00 0.00 C ATOM 965 CG GLN A 60 10.034 24.519 -17.525 1.00 0.00 C ATOM 966 CD GLN A 60 11.032 25.626 -17.307 1.00 0.00 C ATOM 967 OE1 GLN A 60 12.063 25.445 -16.651 1.00 0.00 O ATOM 968 NE2 GLN A 60 10.725 26.787 -17.809 1.00 0.00 N ATOM 0 H GLN A 60 7.552 24.203 -16.333 1.00 0.00 H new ATOM 0 HA GLN A 60 9.032 21.855 -17.254 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.892 24.131 -15.439 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.935 23.024 -16.309 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.291 23.974 -18.433 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.044 24.949 -17.680 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.865 26.899 -18.346 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.345 27.584 -17.666 1.00 0.00 H new ATOM 977 N ASP A 61 7.852 22.230 -14.307 1.00 0.00 N ATOM 978 CA ASP A 61 7.713 21.738 -12.957 1.00 0.00 C ATOM 979 C ASP A 61 6.632 20.666 -12.938 1.00 0.00 C ATOM 980 O ASP A 61 6.307 20.127 -11.913 1.00 0.00 O ATOM 981 CB ASP A 61 7.322 22.914 -12.054 1.00 0.00 C ATOM 982 CG ASP A 61 7.842 22.828 -10.628 1.00 0.00 C ATOM 983 OD1 ASP A 61 7.114 22.401 -9.723 1.00 0.00 O ATOM 984 OD2 ASP A 61 8.989 23.266 -10.380 1.00 0.00 O ATOM 0 H ASP A 61 7.149 22.921 -14.570 1.00 0.00 H new ATOM 0 HA ASP A 61 8.646 21.304 -12.598 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.689 23.836 -12.504 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.235 22.985 -12.025 1.00 0.00 H new ATOM 989 N ILE A 62 6.113 20.333 -14.115 1.00 0.00 N ATOM 990 CA ILE A 62 5.098 19.281 -14.262 1.00 0.00 C ATOM 991 C ILE A 62 5.514 17.922 -13.627 1.00 0.00 C ATOM 992 O ILE A 62 4.705 17.313 -12.912 1.00 0.00 O ATOM 993 CB ILE A 62 4.631 19.111 -15.739 1.00 0.00 C ATOM 994 CG1 ILE A 62 3.874 20.370 -16.194 1.00 0.00 C ATOM 995 CG2 ILE A 62 3.765 17.860 -15.941 1.00 0.00 C ATOM 996 CD1 ILE A 62 2.631 20.711 -15.380 1.00 0.00 C ATOM 0 H ILE A 62 6.378 20.779 -14.993 1.00 0.00 H new ATOM 0 HA ILE A 62 4.239 19.628 -13.688 1.00 0.00 H new ATOM 0 HB ILE A 62 5.523 18.978 -16.352 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.557 21.218 -16.156 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.582 20.242 -17.236 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.467 17.789 -16.987 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.336 16.974 -15.666 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.876 17.928 -15.314 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.170 21.614 -15.780 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.921 19.886 -15.437 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.912 20.877 -14.340 1.00 0.00 H new ATOM 1008 N PRO A 63 6.789 17.428 -13.814 1.00 0.00 N ATOM 1009 CA PRO A 63 7.221 16.169 -13.191 1.00 0.00 C ATOM 1010 C PRO A 63 7.375 16.321 -11.691 1.00 0.00 C ATOM 1011 O PRO A 63 7.286 15.374 -10.941 1.00 0.00 O ATOM 1012 CB PRO A 63 8.588 15.884 -13.827 1.00 0.00 C ATOM 1013 CG PRO A 63 8.662 16.782 -15.012 1.00 0.00 C ATOM 1014 CD PRO A 63 7.879 17.997 -14.640 1.00 0.00 C ATOM 0 HA PRO A 63 6.497 15.370 -13.348 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.398 16.088 -13.127 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.676 14.838 -14.120 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.695 17.038 -15.247 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.244 16.301 -15.896 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.481 18.714 -14.081 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.495 18.518 -15.517 1.00 0.00 H new ATOM 1022 N LYS A 64 7.551 17.540 -11.287 1.00 0.00 N ATOM 1023 CA LYS A 64 7.751 17.902 -9.907 1.00 0.00 C ATOM 1024 C LYS A 64 6.406 17.850 -9.183 1.00 0.00 C ATOM 1025 O LYS A 64 6.334 17.718 -7.949 1.00 0.00 O ATOM 1026 CB LYS A 64 8.282 19.320 -9.858 1.00 0.00 C ATOM 1027 CG LYS A 64 9.446 19.577 -10.807 1.00 0.00 C ATOM 1028 CD LYS A 64 10.735 18.943 -10.376 1.00 0.00 C ATOM 1029 CE LYS A 64 11.228 19.512 -9.053 1.00 0.00 C ATOM 1030 NZ LYS A 64 12.561 19.011 -8.711 1.00 0.00 N ATOM 0 H LYS A 64 7.561 18.338 -11.922 1.00 0.00 H new ATOM 0 HA LYS A 64 8.454 17.218 -9.432 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.472 20.009 -10.097 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.600 19.543 -8.840 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.183 19.205 -11.797 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.595 20.653 -10.900 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.596 17.866 -10.280 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.492 19.100 -11.144 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.252 20.600 -9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.527 19.251 -8.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.745 19.176 -7.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.610 17.991 -8.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.275 19.509 -9.279 1.00 0.00 H new ATOM 1044 N TYR A 65 5.339 17.977 -9.970 1.00 0.00 N ATOM 1045 CA TYR A 65 4.006 17.956 -9.459 1.00 0.00 C ATOM 1046 C TYR A 65 3.375 16.573 -9.578 1.00 0.00 C ATOM 1047 O TYR A 65 3.107 15.914 -8.584 1.00 0.00 O ATOM 1048 CB TYR A 65 3.095 18.947 -10.211 1.00 0.00 C ATOM 1049 CG TYR A 65 3.461 20.405 -10.123 1.00 0.00 C ATOM 1050 CD1 TYR A 65 3.587 21.030 -8.912 1.00 0.00 C ATOM 1051 CD2 TYR A 65 3.649 21.157 -11.265 1.00 0.00 C ATOM 1052 CE1 TYR A 65 3.900 22.376 -8.832 1.00 0.00 C ATOM 1053 CE2 TYR A 65 3.964 22.483 -11.205 1.00 0.00 C ATOM 1054 CZ TYR A 65 4.091 23.094 -9.994 1.00 0.00 C ATOM 1055 OH TYR A 65 4.394 24.438 -9.944 1.00 0.00 O ATOM 0 H TYR A 65 5.395 18.097 -10.981 1.00 0.00 H new ATOM 0 HA TYR A 65 4.087 18.240 -8.410 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.080 18.663 -11.263 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.079 18.828 -9.834 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.440 20.464 -8.004 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.544 20.684 -12.230 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.994 22.859 -7.870 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.112 23.046 -12.114 1.00 0.00 H new ATOM 0 HH TYR A 65 4.931 24.682 -10.727 1.00 0.00 H new ATOM 1065 N PHE A 66 3.182 16.134 -10.808 1.00 0.00 N ATOM 1066 CA PHE A 66 2.342 14.974 -11.094 1.00 0.00 C ATOM 1067 C PHE A 66 3.114 13.670 -11.281 1.00 0.00 C ATOM 1068 O PHE A 66 2.504 12.605 -11.426 1.00 0.00 O ATOM 1069 CB PHE A 66 1.477 15.251 -12.333 1.00 0.00 C ATOM 1070 CG PHE A 66 0.617 16.487 -12.215 1.00 0.00 C ATOM 1071 CD1 PHE A 66 0.985 17.668 -12.840 1.00 0.00 C ATOM 1072 CD2 PHE A 66 -0.547 16.469 -11.470 1.00 0.00 C ATOM 1073 CE1 PHE A 66 0.205 18.803 -12.723 1.00 0.00 C ATOM 1074 CE2 PHE A 66 -1.332 17.598 -11.350 1.00 0.00 C ATOM 1075 CZ PHE A 66 -0.955 18.766 -11.976 1.00 0.00 C ATOM 0 H PHE A 66 3.597 16.564 -11.635 1.00 0.00 H new ATOM 0 HA PHE A 66 1.719 14.829 -10.212 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.127 15.354 -13.202 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.835 14.389 -12.516 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.892 17.702 -13.425 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.847 15.558 -10.974 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.503 19.717 -13.215 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.240 17.566 -10.766 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.566 19.651 -11.882 1.00 0.00 H new ATOM 1085 N PHE A 67 4.420 13.727 -11.271 1.00 0.00 N ATOM 1086 CA PHE A 67 5.213 12.544 -11.506 1.00 0.00 C ATOM 1087 C PHE A 67 6.034 12.217 -10.305 1.00 0.00 C ATOM 1088 O PHE A 67 7.155 12.642 -10.183 1.00 0.00 O ATOM 1089 CB PHE A 67 6.111 12.669 -12.747 1.00 0.00 C ATOM 1090 CG PHE A 67 5.361 12.755 -14.069 1.00 0.00 C ATOM 1091 CD1 PHE A 67 5.787 13.609 -15.075 1.00 0.00 C ATOM 1092 CD2 PHE A 67 4.219 11.992 -14.294 1.00 0.00 C ATOM 1093 CE1 PHE A 67 5.097 13.703 -16.267 1.00 0.00 C ATOM 1094 CE2 PHE A 67 3.530 12.082 -15.485 1.00 0.00 C ATOM 1095 CZ PHE A 67 3.969 12.939 -16.473 1.00 0.00 C ATOM 0 H PHE A 67 4.958 14.577 -11.103 1.00 0.00 H new ATOM 0 HA PHE A 67 4.514 11.730 -11.698 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.734 13.557 -12.640 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.782 11.811 -12.781 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.672 14.210 -14.924 1.00 0.00 H new ATOM 0 HD2 PHE A 67 3.868 11.320 -13.525 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.442 14.376 -17.038 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.647 11.482 -15.644 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.430 13.011 -17.406 1.00 0.00 H new ATOM 1105 N ASN A 68 5.477 11.461 -9.417 1.00 0.00 N ATOM 1106 CA ASN A 68 6.081 11.110 -8.225 1.00 0.00 C ATOM 1107 C ASN A 68 7.045 9.960 -8.479 1.00 0.00 C ATOM 1108 O ASN A 68 6.679 8.791 -8.476 1.00 0.00 O ATOM 1109 CB ASN A 68 4.976 10.800 -7.243 1.00 0.00 C ATOM 1110 CG ASN A 68 5.435 10.220 -5.988 1.00 0.00 C ATOM 1111 OD1 ASN A 68 5.739 10.918 -5.029 1.00 0.00 O ATOM 1112 ND2 ASN A 68 5.470 8.953 -5.967 1.00 0.00 N ATOM 0 H ASN A 68 4.544 11.065 -9.532 1.00 0.00 H new ATOM 0 HA ASN A 68 6.686 11.909 -7.796 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.430 11.718 -7.027 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.272 10.112 -7.711 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.763 8.465 -5.121 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.205 8.422 -6.797 1.00 0.00 H new ATOM 1119 N ALA A 69 8.235 10.375 -8.898 1.00 0.00 N ATOM 1120 CA ALA A 69 9.384 9.540 -9.247 1.00 0.00 C ATOM 1121 C ALA A 69 9.047 8.566 -10.350 1.00 0.00 C ATOM 1122 O ALA A 69 9.737 7.567 -10.582 1.00 0.00 O ATOM 1123 CB ALA A 69 9.992 8.872 -8.027 1.00 0.00 C ATOM 0 H ALA A 69 8.439 11.368 -9.011 1.00 0.00 H new ATOM 0 HA ALA A 69 10.159 10.195 -9.644 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.842 8.262 -8.332 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.327 9.634 -7.324 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.245 8.239 -7.548 1.00 0.00 H new ATOM 1129 N LYS A 70 8.055 8.938 -11.092 1.00 0.00 N ATOM 1130 CA LYS A 70 7.601 8.196 -12.219 1.00 0.00 C ATOM 1131 C LYS A 70 7.547 9.104 -13.373 1.00 0.00 C ATOM 1132 O LYS A 70 6.510 9.622 -13.770 1.00 0.00 O ATOM 1133 CB LYS A 70 6.285 7.455 -11.935 1.00 0.00 C ATOM 1134 CG LYS A 70 5.694 6.686 -13.114 1.00 0.00 C ATOM 1135 CD LYS A 70 4.432 5.920 -12.718 1.00 0.00 C ATOM 1136 CE LYS A 70 3.371 6.834 -12.113 1.00 0.00 C ATOM 1137 NZ LYS A 70 2.132 6.103 -11.790 1.00 0.00 N ATOM 0 H LYS A 70 7.524 9.792 -10.924 1.00 0.00 H new ATOM 0 HA LYS A 70 8.302 7.394 -12.452 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.452 6.756 -11.115 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.547 8.180 -11.591 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.459 7.381 -13.920 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.436 5.988 -13.501 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.022 5.420 -13.596 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.691 5.142 -12.000 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.765 7.298 -11.209 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.145 7.640 -12.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.438 6.760 -11.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.741 5.682 -12.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.342 5.350 -11.104 1.00 0.00 H new ATOM 1151 N VAL A 71 8.704 9.367 -13.845 1.00 0.00 N ATOM 1152 CA VAL A 71 8.895 10.239 -14.921 1.00 0.00 C ATOM 1153 C VAL A 71 9.368 9.385 -16.086 1.00 0.00 C ATOM 1154 O VAL A 71 10.422 9.628 -16.681 1.00 0.00 O ATOM 1155 CB VAL A 71 9.951 11.309 -14.568 1.00 0.00 C ATOM 1156 CG1 VAL A 71 9.812 12.439 -15.508 1.00 0.00 C ATOM 1157 CG2 VAL A 71 9.820 11.800 -13.124 1.00 0.00 C ATOM 0 H VAL A 71 9.567 8.966 -13.478 1.00 0.00 H new ATOM 0 HA VAL A 71 7.975 10.767 -15.170 1.00 0.00 H new ATOM 0 HB VAL A 71 10.940 10.859 -14.657 1.00 0.00 H new ATOM 0 HG11 VAL A 71 10.552 13.203 -15.270 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.969 12.086 -16.527 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.812 12.863 -15.421 1.00 0.00 H new ATOM 0 HG21 VAL A 71 10.584 12.551 -12.924 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.833 12.239 -12.977 1.00 0.00 H new ATOM 0 HG23 VAL A 71 9.949 10.960 -12.441 1.00 0.00 H new ATOM 1167 N HIS A 72 8.559 8.372 -16.376 1.00 0.00 N ATOM 1168 CA HIS A 72 8.834 7.351 -17.376 1.00 0.00 C ATOM 1169 C HIS A 72 10.035 6.523 -16.928 1.00 0.00 C ATOM 1170 O HIS A 72 9.854 5.630 -16.078 1.00 0.00 O ATOM 1171 CB HIS A 72 9.043 7.963 -18.788 1.00 0.00 C ATOM 1172 CG HIS A 72 9.227 6.954 -19.890 1.00 0.00 C ATOM 1173 ND1 HIS A 72 8.202 6.550 -20.707 1.00 0.00 N ATOM 1174 CD2 HIS A 72 10.328 6.279 -20.315 1.00 0.00 C ATOM 1175 CE1 HIS A 72 8.654 5.680 -21.574 1.00 0.00 C ATOM 1176 NE2 HIS A 72 9.941 5.497 -21.359 1.00 0.00 N ATOM 0 H HIS A 72 7.665 8.236 -15.905 1.00 0.00 H new ATOM 0 HA HIS A 72 7.967 6.696 -17.461 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.184 8.590 -19.028 1.00 0.00 H new ATOM 0 HB3 HIS A 72 9.916 8.615 -18.761 1.00 0.00 H new ATOM 0 HD2 HIS A 72 11.323 6.350 -19.901 1.00 0.00 H new ATOM 0 HE1 HIS A 72 8.069 5.192 -22.339 1.00 0.00 H new ATOM 0 HE2 HIS A 72 10.548 4.871 -21.889 1.00 0.00 H new TER 1184 HIS A 72