USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 529 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 36 CYS SG : rot 152:sc= 0.804 USER MOD Set 1.2: A 40 ASN :FLIP amide:sc=-0.00542 F(o=-1,f=0.8) USER MOD Set 2.1: A 26 CYS SG : rot 19:sc= 0.158 USER MOD Set 2.2: A 57 CYS SG : rot -83:sc= -0.75 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.109 (180deg=-0.566) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.279 (180deg=-0.439) USER MOD Single : A 2 THR OG1 : rot -159:sc= 0.686 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -167:sc= -0.0232 (180deg=-0.25) USER MOD Single : A 7 LYS NZ :NH3+ -163:sc= -0.0647 (180deg=-0.344) USER MOD Single : A 8 GLN :FLIP amide:sc= -1.12 F(o=-1.8,f=-1.1) USER MOD Single : A 10 GLN : amide:sc= -0.365 X(o=-0.36,f=-0.8) USER MOD Single : A 12 ASN : amide:sc= -0.0378 K(o=-0.038,f=-0.86) USER MOD Single : A 13 HIS :FLIP no HD1:sc=-0.000937 F(o=-0.68,f=-0.00094) USER MOD Single : A 16 CYS SG : rot -34:sc= 0.062 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 168:sc= -0.0285 (180deg=-0.212) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 31:sc= 0.105 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 79:sc= 1.06 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0362 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 177:sc= -0.731 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -163:sc= -0.0838 (180deg=-0.439) USER MOD Single : A 58 MET CE :methyl -167:sc= -1.38 (180deg=-1.75) USER MOD Single : A 59 LYS NZ :NH3+ 163:sc= -0.0926 (180deg=-0.35) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 29:sc= 0.473 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.664 25.745 -0.198 1.00 0.00 N ATOM 2 CA MET A 1 16.470 24.906 1.013 1.00 0.00 C ATOM 3 C MET A 1 17.285 25.444 2.184 1.00 0.00 C ATOM 4 O MET A 1 17.319 24.842 3.257 1.00 0.00 O ATOM 5 CB MET A 1 16.870 23.458 0.720 1.00 0.00 C ATOM 6 CG MET A 1 16.073 22.823 -0.408 1.00 0.00 C ATOM 7 SD MET A 1 14.308 22.739 -0.052 1.00 0.00 S ATOM 8 CE MET A 1 14.297 21.640 1.363 1.00 0.00 C ATOM 0 H1 MET A 1 16.024 25.421 -0.951 1.00 0.00 H new ATOM 0 H2 MET A 1 16.456 26.738 0.031 1.00 0.00 H new ATOM 0 H3 MET A 1 17.649 25.664 -0.522 1.00 0.00 H new ATOM 0 HA MET A 1 15.415 24.939 1.285 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.930 23.427 0.467 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.740 22.864 1.625 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.228 23.394 -1.323 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.450 21.817 -0.592 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.294 21.237 1.503 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.997 20.821 1.193 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.594 22.192 2.255 1.00 0.00 H new ATOM 20 N THR A 2 17.942 26.581 1.971 1.00 0.00 N ATOM 21 CA THR A 2 18.757 27.201 3.011 1.00 0.00 C ATOM 22 C THR A 2 18.835 28.713 2.819 1.00 0.00 C ATOM 23 O THR A 2 18.544 29.226 1.739 1.00 0.00 O ATOM 24 CB THR A 2 20.183 26.620 3.026 1.00 0.00 C ATOM 25 OG1 THR A 2 20.962 27.255 4.047 1.00 0.00 O ATOM 26 CG2 THR A 2 20.859 26.809 1.676 1.00 0.00 C ATOM 0 H THR A 2 17.926 27.091 1.088 1.00 0.00 H new ATOM 0 HA THR A 2 18.275 26.984 3.964 1.00 0.00 H new ATOM 0 HB THR A 2 20.113 25.552 3.234 1.00 0.00 H new ATOM 0 HG1 THR A 2 21.915 27.147 3.846 1.00 0.00 H new ATOM 0 HG21 THR A 2 21.865 26.391 1.711 1.00 0.00 H new ATOM 0 HG22 THR A 2 20.281 26.300 0.905 1.00 0.00 H new ATOM 0 HG23 THR A 2 20.916 27.872 1.443 1.00 0.00 H new ATOM 34 N GLU A 3 19.233 29.421 3.873 1.00 0.00 N ATOM 35 CA GLU A 3 19.347 30.874 3.817 1.00 0.00 C ATOM 36 C GLU A 3 20.584 31.357 4.570 1.00 0.00 C ATOM 37 O GLU A 3 20.876 32.552 4.599 1.00 0.00 O ATOM 38 CB GLU A 3 18.092 31.527 4.402 1.00 0.00 C ATOM 39 CG GLU A 3 17.814 31.132 5.843 1.00 0.00 C ATOM 40 CD GLU A 3 16.530 31.736 6.375 1.00 0.00 C ATOM 41 OE1 GLU A 3 16.557 32.911 6.798 1.00 0.00 O ATOM 42 OE2 GLU A 3 15.497 31.035 6.367 1.00 0.00 O ATOM 0 H GLU A 3 19.481 29.012 4.774 1.00 0.00 H new ATOM 0 HA GLU A 3 19.447 31.164 2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 3 18.197 32.610 4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 3 17.233 31.257 3.788 1.00 0.00 H new ATOM 0 HG2 GLU A 3 17.757 30.046 5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 3 18.647 31.449 6.470 1.00 0.00 H new ATOM 49 N THR A 4 21.307 30.419 5.175 1.00 0.00 N ATOM 50 CA THR A 4 22.513 30.753 5.924 1.00 0.00 C ATOM 51 C THR A 4 23.740 30.736 5.021 1.00 0.00 C ATOM 52 O THR A 4 24.788 31.282 5.368 1.00 0.00 O ATOM 53 CB THR A 4 22.739 29.779 7.095 1.00 0.00 C ATOM 54 OG1 THR A 4 22.950 28.453 6.596 1.00 0.00 O ATOM 55 CG2 THR A 4 21.549 29.786 8.042 1.00 0.00 C ATOM 0 H THR A 4 21.079 29.425 5.161 1.00 0.00 H new ATOM 0 HA THR A 4 22.369 31.757 6.322 1.00 0.00 H new ATOM 0 HB THR A 4 23.622 30.105 7.644 1.00 0.00 H new ATOM 0 HG1 THR A 4 23.095 27.840 7.347 1.00 0.00 H new ATOM 0 HG21 THR A 4 21.732 29.090 8.861 1.00 0.00 H new ATOM 0 HG22 THR A 4 21.409 30.790 8.443 1.00 0.00 H new ATOM 0 HG23 THR A 4 20.652 29.483 7.502 1.00 0.00 H new ATOM 63 N ASP A 5 23.602 30.104 3.860 1.00 0.00 N ATOM 64 CA ASP A 5 24.697 30.014 2.900 1.00 0.00 C ATOM 65 C ASP A 5 24.602 31.132 1.866 1.00 0.00 C ATOM 66 O ASP A 5 23.519 31.658 1.603 1.00 0.00 O ATOM 67 CB ASP A 5 24.682 28.652 2.203 1.00 0.00 C ATOM 68 CG ASP A 5 24.823 27.501 3.180 1.00 0.00 C ATOM 69 OD1 ASP A 5 23.788 27.043 3.709 1.00 0.00 O ATOM 70 OD2 ASP A 5 25.967 27.060 3.416 1.00 0.00 O ATOM 0 H ASP A 5 22.741 29.646 3.561 1.00 0.00 H new ATOM 0 HA ASP A 5 25.636 30.123 3.443 1.00 0.00 H new ATOM 0 HB2 ASP A 5 23.751 28.541 1.648 1.00 0.00 H new ATOM 0 HB3 ASP A 5 25.493 28.610 1.476 1.00 0.00 H new ATOM 75 N LYS A 6 25.741 31.491 1.281 1.00 0.00 N ATOM 76 CA LYS A 6 25.786 32.548 0.275 1.00 0.00 C ATOM 77 C LYS A 6 25.416 32.005 -1.100 1.00 0.00 C ATOM 78 O LYS A 6 25.480 32.722 -2.099 1.00 0.00 O ATOM 79 CB LYS A 6 27.178 33.186 0.227 1.00 0.00 C ATOM 80 CG LYS A 6 27.524 34.007 1.461 1.00 0.00 C ATOM 81 CD LYS A 6 27.850 33.123 2.655 1.00 0.00 C ATOM 82 CE LYS A 6 28.164 33.950 3.891 1.00 0.00 C ATOM 83 NZ LYS A 6 29.324 34.856 3.673 1.00 0.00 N ATOM 0 H LYS A 6 26.645 31.066 1.486 1.00 0.00 H new ATOM 0 HA LYS A 6 25.058 33.309 0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 6 27.923 32.400 0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.243 33.826 -0.653 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.376 34.651 1.242 1.00 0.00 H new ATOM 0 HG3 LYS A 6 26.687 34.660 1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 6 27.007 32.464 2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 6 28.702 32.486 2.416 1.00 0.00 H new ATOM 0 HE2 LYS A 6 27.289 34.540 4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 6 28.375 33.285 4.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 29.644 35.236 4.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 30.100 34.326 3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 29.040 35.641 3.053 1.00 0.00 H new ATOM 97 N LYS A 7 25.027 30.734 -1.143 1.00 0.00 N ATOM 98 CA LYS A 7 24.644 30.091 -2.395 1.00 0.00 C ATOM 99 C LYS A 7 23.128 29.939 -2.485 1.00 0.00 C ATOM 100 O LYS A 7 22.468 29.619 -1.496 1.00 0.00 O ATOM 101 CB LYS A 7 25.315 28.720 -2.512 1.00 0.00 C ATOM 102 CG LYS A 7 25.101 28.044 -3.857 1.00 0.00 C ATOM 103 CD LYS A 7 25.766 28.820 -4.983 1.00 0.00 C ATOM 104 CE LYS A 7 25.615 28.106 -6.317 1.00 0.00 C ATOM 105 NZ LYS A 7 26.230 26.750 -6.294 1.00 0.00 N ATOM 0 H LYS A 7 24.969 30.129 -0.324 1.00 0.00 H new ATOM 0 HA LYS A 7 24.977 30.723 -3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 7 26.385 28.834 -2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 7 24.933 28.070 -1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 7 25.503 27.031 -3.825 1.00 0.00 H new ATOM 0 HG3 LYS A 7 24.033 27.956 -4.055 1.00 0.00 H new ATOM 0 HD2 LYS A 7 25.326 29.815 -5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 7 26.824 28.954 -4.759 1.00 0.00 H new ATOM 0 HE2 LYS A 7 24.557 28.021 -6.565 1.00 0.00 H new ATOM 0 HE3 LYS A 7 26.080 28.702 -7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 26.366 26.414 -7.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 27.150 26.794 -5.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 25.604 26.093 -5.786 1.00 0.00 H new ATOM 119 N GLN A 8 22.584 30.171 -3.675 1.00 0.00 N ATOM 120 CA GLN A 8 21.144 30.063 -3.892 1.00 0.00 C ATOM 121 C GLN A 8 20.756 28.645 -4.296 1.00 0.00 C ATOM 122 O GLN A 8 21.079 28.193 -5.394 1.00 0.00 O ATOM 123 CB GLN A 8 20.689 31.053 -4.969 1.00 0.00 C ATOM 124 CG GLN A 8 20.727 32.506 -4.522 1.00 0.00 C ATOM 125 CD GLN A 8 22.130 32.993 -4.218 1.00 0.00 C ATOM 126 OE1 GLN A 8 22.543 32.864 -2.963 1.00 0.00 O flip ATOM 127 NE2 GLN A 8 22.833 33.483 -5.102 1.00 0.00 N flip ATOM 0 H GLN A 8 23.117 30.435 -4.504 1.00 0.00 H new ATOM 0 HA GLN A 8 20.646 30.304 -2.953 1.00 0.00 H new ATOM 0 HB2 GLN A 8 21.323 30.936 -5.848 1.00 0.00 H new ATOM 0 HB3 GLN A 8 19.673 30.803 -5.274 1.00 0.00 H new ATOM 0 HG2 GLN A 8 20.291 33.132 -5.301 1.00 0.00 H new ATOM 0 HG3 GLN A 8 20.106 32.624 -3.634 1.00 0.00 H new ATOM 0 HE21 GLN A 8 22.474 33.562 -6.054 1.00 0.00 H new ATOM 0 HE22 GLN A 8 23.774 33.809 -4.883 1.00 0.00 H new ATOM 136 N GLU A 9 20.058 27.953 -3.395 1.00 0.00 N ATOM 137 CA GLU A 9 19.612 26.583 -3.640 1.00 0.00 C ATOM 138 C GLU A 9 20.796 25.633 -3.795 1.00 0.00 C ATOM 139 O GLU A 9 21.605 25.774 -4.712 1.00 0.00 O ATOM 140 CB GLU A 9 18.725 26.520 -4.886 1.00 0.00 C ATOM 141 CG GLU A 9 18.112 25.150 -5.127 1.00 0.00 C ATOM 142 CD GLU A 9 17.290 25.094 -6.398 1.00 0.00 C ATOM 143 OE1 GLU A 9 16.088 25.430 -6.344 1.00 0.00 O ATOM 144 OE2 GLU A 9 17.847 24.714 -7.450 1.00 0.00 O ATOM 0 H GLU A 9 19.788 28.323 -2.483 1.00 0.00 H new ATOM 0 HA GLU A 9 19.031 26.266 -2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.926 27.255 -4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 9 19.316 26.803 -5.757 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.906 24.405 -5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.481 24.884 -4.279 1.00 0.00 H new ATOM 151 N GLN A 10 20.889 24.662 -2.891 1.00 0.00 N ATOM 152 CA GLN A 10 21.969 23.683 -2.924 1.00 0.00 C ATOM 153 C GLN A 10 21.418 22.272 -3.097 1.00 0.00 C ATOM 154 O GLN A 10 20.619 21.805 -2.285 1.00 0.00 O ATOM 155 CB GLN A 10 22.798 23.765 -1.641 1.00 0.00 C ATOM 156 CG GLN A 10 23.505 25.098 -1.455 1.00 0.00 C ATOM 157 CD GLN A 10 24.230 25.193 -0.127 1.00 0.00 C ATOM 158 OE1 GLN A 10 23.812 24.598 0.866 1.00 0.00 O ATOM 159 NE2 GLN A 10 25.325 25.945 -0.103 1.00 0.00 N ATOM 0 H GLN A 10 20.228 24.533 -2.125 1.00 0.00 H new ATOM 0 HA GLN A 10 22.608 23.912 -3.777 1.00 0.00 H new ATOM 0 HB2 GLN A 10 22.146 23.587 -0.786 1.00 0.00 H new ATOM 0 HB3 GLN A 10 23.541 22.967 -1.647 1.00 0.00 H new ATOM 0 HG2 GLN A 10 24.219 25.243 -2.266 1.00 0.00 H new ATOM 0 HG3 GLN A 10 22.776 25.905 -1.525 1.00 0.00 H new ATOM 0 HE21 GLN A 10 25.636 26.421 -0.950 1.00 0.00 H new ATOM 0 HE22 GLN A 10 25.855 26.047 0.763 1.00 0.00 H new ATOM 168 N GLU A 11 21.850 21.598 -4.158 1.00 0.00 N ATOM 169 CA GLU A 11 21.399 20.239 -4.437 1.00 0.00 C ATOM 170 C GLU A 11 22.584 19.313 -4.695 1.00 0.00 C ATOM 171 O GLU A 11 23.712 19.770 -4.883 1.00 0.00 O ATOM 172 CB GLU A 11 20.456 20.228 -5.643 1.00 0.00 C ATOM 173 CG GLU A 11 19.188 21.039 -5.429 1.00 0.00 C ATOM 174 CD GLU A 11 18.255 20.987 -6.623 1.00 0.00 C ATOM 175 OE1 GLU A 11 17.425 20.055 -6.690 1.00 0.00 O ATOM 176 OE2 GLU A 11 18.353 21.880 -7.492 1.00 0.00 O ATOM 0 H GLU A 11 22.512 21.971 -4.839 1.00 0.00 H new ATOM 0 HA GLU A 11 20.861 19.876 -3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 11 20.986 20.619 -6.512 1.00 0.00 H new ATOM 0 HB3 GLU A 11 20.184 19.198 -5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 11 18.666 20.665 -4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 11 19.454 22.076 -5.225 1.00 0.00 H new ATOM 183 N ASN A 12 22.319 18.010 -4.703 1.00 0.00 N ATOM 184 CA ASN A 12 23.362 17.017 -4.936 1.00 0.00 C ATOM 185 C ASN A 12 22.914 15.993 -5.974 1.00 0.00 C ATOM 186 O ASN A 12 21.790 15.493 -5.918 1.00 0.00 O ATOM 187 CB ASN A 12 23.720 16.307 -3.629 1.00 0.00 C ATOM 188 CG ASN A 12 24.234 17.265 -2.571 1.00 0.00 C ATOM 189 OD1 ASN A 12 24.852 18.281 -2.884 1.00 0.00 O ATOM 190 ND2 ASN A 12 23.979 16.942 -1.308 1.00 0.00 N ATOM 0 H ASN A 12 21.390 17.617 -4.551 1.00 0.00 H new ATOM 0 HA ASN A 12 24.243 17.534 -5.315 1.00 0.00 H new ATOM 0 HB2 ASN A 12 22.840 15.788 -3.248 1.00 0.00 H new ATOM 0 HB3 ASN A 12 24.477 15.548 -3.827 1.00 0.00 H new ATOM 0 HD21 ASN A 12 24.300 17.547 -0.552 1.00 0.00 H new ATOM 0 HD22 ASN A 12 23.462 16.089 -1.094 1.00 0.00 H new ATOM 197 N HIS A 13 23.799 15.690 -6.921 1.00 0.00 N ATOM 198 CA HIS A 13 23.500 14.723 -7.976 1.00 0.00 C ATOM 199 C HIS A 13 22.276 15.154 -8.781 1.00 0.00 C ATOM 200 O HIS A 13 21.702 16.216 -8.538 1.00 0.00 O ATOM 201 CB HIS A 13 23.271 13.334 -7.374 1.00 0.00 C ATOM 202 CG HIS A 13 24.432 12.826 -6.575 1.00 0.00 C ATOM 203 ND1 HIS A 13 24.858 13.147 -5.330 1.00 0.00 N flip ATOM 204 CD2 HIS A 13 25.308 11.870 -7.042 1.00 0.00 C flip ATOM 205 CE1 HIS A 13 25.971 12.387 -5.073 1.00 0.00 C flip ATOM 206 NE2 HIS A 13 26.221 11.623 -6.120 1.00 0.00 N flip ATOM 0 H HIS A 13 24.731 16.101 -6.980 1.00 0.00 H new ATOM 0 HA HIS A 13 24.356 14.681 -8.650 1.00 0.00 H new ATOM 0 HB2 HIS A 13 22.388 13.365 -6.736 1.00 0.00 H new ATOM 0 HB3 HIS A 13 23.058 12.630 -8.178 1.00 0.00 H new ATOM 0 HD2 HIS A 13 25.256 11.396 -8.011 1.00 0.00 H new ATOM 0 HE1 HIS A 13 26.549 12.410 -4.161 1.00 0.00 H new ATOM 0 HE2 HIS A 13 26.988 10.956 -6.203 1.00 0.00 H new ATOM 215 N ALA A 14 21.884 14.324 -9.744 1.00 0.00 N ATOM 216 CA ALA A 14 20.728 14.618 -10.581 1.00 0.00 C ATOM 217 C ALA A 14 19.468 13.972 -10.016 1.00 0.00 C ATOM 218 O ALA A 14 18.403 14.588 -9.988 1.00 0.00 O ATOM 219 CB ALA A 14 20.973 14.145 -12.006 1.00 0.00 C ATOM 0 H ALA A 14 22.350 13.444 -9.963 1.00 0.00 H new ATOM 0 HA ALA A 14 20.581 15.698 -10.591 1.00 0.00 H new ATOM 0 HB1 ALA A 14 20.101 14.371 -12.619 1.00 0.00 H new ATOM 0 HB2 ALA A 14 21.846 14.655 -12.414 1.00 0.00 H new ATOM 0 HB3 ALA A 14 21.148 13.069 -12.007 1.00 0.00 H new ATOM 225 N GLU A 15 19.603 12.727 -9.566 1.00 0.00 N ATOM 226 CA GLU A 15 18.486 11.982 -8.994 1.00 0.00 C ATOM 227 C GLU A 15 17.338 11.849 -9.993 1.00 0.00 C ATOM 228 O GLU A 15 16.559 12.781 -10.190 1.00 0.00 O ATOM 229 CB GLU A 15 17.986 12.656 -7.713 1.00 0.00 C ATOM 230 CG GLU A 15 16.880 11.883 -7.015 1.00 0.00 C ATOM 231 CD GLU A 15 16.451 12.526 -5.710 1.00 0.00 C ATOM 232 OE1 GLU A 15 15.566 13.406 -5.744 1.00 0.00 O ATOM 233 OE2 GLU A 15 16.999 12.146 -4.654 1.00 0.00 O ATOM 0 H GLU A 15 20.482 12.210 -9.587 1.00 0.00 H new ATOM 0 HA GLU A 15 18.848 10.983 -8.752 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.823 12.778 -7.025 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.624 13.655 -7.955 1.00 0.00 H new ATOM 0 HG2 GLU A 15 16.019 11.809 -7.679 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.220 10.866 -6.820 1.00 0.00 H new ATOM 240 N CYS A 16 17.241 10.681 -10.619 1.00 0.00 N ATOM 241 CA CYS A 16 16.187 10.420 -11.593 1.00 0.00 C ATOM 242 C CYS A 16 15.325 9.244 -11.146 1.00 0.00 C ATOM 243 O CYS A 16 14.293 8.952 -11.749 1.00 0.00 O ATOM 244 CB CYS A 16 16.791 10.135 -12.969 1.00 0.00 C ATOM 245 SG CYS A 16 15.573 9.993 -14.297 1.00 0.00 S ATOM 0 H CYS A 16 17.880 9.900 -10.469 1.00 0.00 H new ATOM 0 HA CYS A 16 15.558 11.307 -11.663 1.00 0.00 H new ATOM 0 HB2 CYS A 16 17.492 10.932 -13.218 1.00 0.00 H new ATOM 0 HB3 CYS A 16 17.365 9.210 -12.917 1.00 0.00 H new ATOM 0 HG CYS A 16 14.481 9.465 -13.829 1.00 0.00 H new ATOM 251 N GLU A 17 15.758 8.579 -10.082 1.00 0.00 N ATOM 252 CA GLU A 17 15.033 7.435 -9.544 1.00 0.00 C ATOM 253 C GLU A 17 13.787 7.885 -8.789 1.00 0.00 C ATOM 254 O GLU A 17 12.716 7.295 -8.931 1.00 0.00 O ATOM 255 CB GLU A 17 15.935 6.620 -8.617 1.00 0.00 C ATOM 256 CG GLU A 17 17.138 6.008 -9.317 1.00 0.00 C ATOM 257 CD GLU A 17 16.742 5.071 -10.440 1.00 0.00 C ATOM 258 OE1 GLU A 17 16.333 3.928 -10.144 1.00 0.00 O ATOM 259 OE2 GLU A 17 16.842 5.478 -11.617 1.00 0.00 O ATOM 0 H GLU A 17 16.610 8.813 -9.573 1.00 0.00 H new ATOM 0 HA GLU A 17 14.724 6.809 -10.381 1.00 0.00 H new ATOM 0 HB2 GLU A 17 16.284 7.262 -7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 17 15.347 5.823 -8.161 1.00 0.00 H new ATOM 0 HG2 GLU A 17 17.765 6.805 -9.717 1.00 0.00 H new ATOM 0 HG3 GLU A 17 17.740 5.464 -8.589 1.00 0.00 H new ATOM 266 N ASP A 18 13.935 8.935 -7.987 1.00 0.00 N ATOM 267 CA ASP A 18 12.822 9.463 -7.205 1.00 0.00 C ATOM 268 C ASP A 18 12.042 10.508 -7.999 1.00 0.00 C ATOM 269 O ASP A 18 12.571 11.566 -8.337 1.00 0.00 O ATOM 270 CB ASP A 18 13.335 10.076 -5.900 1.00 0.00 C ATOM 271 CG ASP A 18 12.210 10.572 -5.013 1.00 0.00 C ATOM 272 OD1 ASP A 18 11.796 11.739 -5.175 1.00 0.00 O ATOM 273 OD2 ASP A 18 11.743 9.793 -4.156 1.00 0.00 O ATOM 0 H ASP A 18 14.814 9.437 -7.862 1.00 0.00 H new ATOM 0 HA ASP A 18 12.151 8.636 -6.973 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.920 9.333 -5.358 1.00 0.00 H new ATOM 0 HB3 ASP A 18 14.005 10.904 -6.130 1.00 0.00 H new ATOM 278 N LYS A 19 10.783 10.200 -8.294 1.00 0.00 N ATOM 279 CA LYS A 19 9.927 11.113 -9.044 1.00 0.00 C ATOM 280 C LYS A 19 8.828 11.683 -8.145 1.00 0.00 C ATOM 281 O LYS A 19 8.059 10.928 -7.552 1.00 0.00 O ATOM 282 CB LYS A 19 9.300 10.392 -10.240 1.00 0.00 C ATOM 283 CG LYS A 19 8.417 11.288 -11.096 1.00 0.00 C ATOM 284 CD LYS A 19 7.794 10.519 -12.251 1.00 0.00 C ATOM 285 CE LYS A 19 6.884 11.409 -13.084 1.00 0.00 C ATOM 286 NZ LYS A 19 6.239 10.657 -14.196 1.00 0.00 N ATOM 0 H LYS A 19 10.333 9.325 -8.025 1.00 0.00 H new ATOM 0 HA LYS A 19 10.542 11.936 -9.408 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.094 9.978 -10.861 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.708 9.552 -9.878 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.629 11.721 -10.479 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.008 12.117 -11.486 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.581 10.108 -12.883 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.224 9.675 -11.863 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.115 11.842 -12.444 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.462 12.238 -13.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.627 11.298 -14.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.972 10.265 -14.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.667 9.882 -13.805 1.00 0.00 H new ATOM 300 N PRO A 20 8.737 13.024 -8.028 1.00 0.00 N ATOM 301 CA PRO A 20 7.719 13.671 -7.191 1.00 0.00 C ATOM 302 C PRO A 20 6.319 13.534 -7.777 1.00 0.00 C ATOM 303 O PRO A 20 6.052 13.998 -8.886 1.00 0.00 O ATOM 304 CB PRO A 20 8.152 15.138 -7.176 1.00 0.00 C ATOM 305 CG PRO A 20 8.910 15.319 -8.444 1.00 0.00 C ATOM 306 CD PRO A 20 9.609 14.012 -8.695 1.00 0.00 C ATOM 0 HA PRO A 20 7.658 13.222 -6.200 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.291 15.805 -7.130 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.773 15.359 -6.308 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.241 15.569 -9.267 1.00 0.00 H new ATOM 0 HG3 PRO A 20 9.627 16.135 -8.358 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.707 13.807 -9.761 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.615 14.007 -8.276 1.00 0.00 H new ATOM 314 N LYS A 21 5.428 12.895 -7.026 1.00 0.00 N ATOM 315 CA LYS A 21 4.054 12.697 -7.473 1.00 0.00 C ATOM 316 C LYS A 21 3.074 12.945 -6.325 1.00 0.00 C ATOM 317 O LYS A 21 2.721 12.020 -5.593 1.00 0.00 O ATOM 318 CB LYS A 21 3.874 11.280 -8.024 1.00 0.00 C ATOM 319 CG LYS A 21 2.842 11.179 -9.137 1.00 0.00 C ATOM 320 CD LYS A 21 1.429 11.404 -8.620 1.00 0.00 C ATOM 321 CE LYS A 21 0.409 11.347 -9.747 1.00 0.00 C ATOM 322 NZ LYS A 21 0.454 10.050 -10.475 1.00 0.00 N ATOM 0 H LYS A 21 5.633 12.506 -6.106 1.00 0.00 H new ATOM 0 HA LYS A 21 3.844 13.413 -8.268 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.833 10.921 -8.397 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.581 10.618 -7.209 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.068 11.914 -9.910 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.906 10.196 -9.604 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.189 10.648 -7.872 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.372 12.373 -8.124 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.590 11.499 -9.339 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.596 12.162 -10.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.379 9.970 -11.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.318 10.005 -11.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.454 9.267 -9.790 1.00 0.00 H new ATOM 336 N PRO A 22 2.628 14.203 -6.148 1.00 0.00 N ATOM 337 CA PRO A 22 1.684 14.566 -5.083 1.00 0.00 C ATOM 338 C PRO A 22 0.307 13.944 -5.293 1.00 0.00 C ATOM 339 O PRO A 22 0.163 12.961 -6.021 1.00 0.00 O ATOM 340 CB PRO A 22 1.596 16.099 -5.174 1.00 0.00 C ATOM 341 CG PRO A 22 2.746 16.516 -6.027 1.00 0.00 C ATOM 342 CD PRO A 22 3.004 15.371 -6.960 1.00 0.00 C ATOM 0 HA PRO A 22 2.019 14.205 -4.110 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.649 16.412 -5.613 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.655 16.555 -4.186 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.512 17.425 -6.580 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.625 16.730 -5.419 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.404 15.444 -7.867 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.048 15.329 -7.271 1.00 0.00 H new ATOM 350 N CYS A 23 -0.701 14.522 -4.642 1.00 0.00 N ATOM 351 CA CYS A 23 -2.075 14.036 -4.751 1.00 0.00 C ATOM 352 C CYS A 23 -2.202 12.611 -4.220 1.00 0.00 C ATOM 353 O CYS A 23 -1.215 11.994 -3.821 1.00 0.00 O ATOM 354 CB CYS A 23 -2.550 14.096 -6.205 1.00 0.00 C ATOM 355 SG CYS A 23 -2.507 15.752 -6.928 1.00 0.00 S ATOM 0 H CYS A 23 -0.591 15.331 -4.031 1.00 0.00 H new ATOM 0 HA CYS A 23 -2.706 14.684 -4.143 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.929 13.432 -6.807 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.569 13.714 -6.259 1.00 0.00 H new ATOM 0 HG CYS A 23 -2.924 15.699 -8.158 1.00 0.00 H new ATOM 361 N CYS A 24 -3.428 12.095 -4.220 1.00 0.00 N ATOM 362 CA CYS A 24 -3.692 10.743 -3.740 1.00 0.00 C ATOM 363 C CYS A 24 -3.272 9.706 -4.777 1.00 0.00 C ATOM 364 O CYS A 24 -3.604 9.827 -5.957 1.00 0.00 O ATOM 365 CB CYS A 24 -5.176 10.579 -3.407 1.00 0.00 C ATOM 366 SG CYS A 24 -6.288 10.962 -4.781 1.00 0.00 S ATOM 0 H CYS A 24 -4.255 12.594 -4.548 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.105 10.583 -2.836 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.354 9.553 -3.085 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.422 11.225 -2.564 1.00 0.00 H new ATOM 0 HG CYS A 24 -5.702 10.676 -5.906 1.00 0.00 H new ATOM 372 N VAL A 25 -2.544 8.688 -4.329 1.00 0.00 N ATOM 373 CA VAL A 25 -2.077 7.634 -5.222 1.00 0.00 C ATOM 374 C VAL A 25 -2.089 6.270 -4.536 1.00 0.00 C ATOM 375 O VAL A 25 -1.297 6.010 -3.630 1.00 0.00 O ATOM 376 CB VAL A 25 -0.658 7.927 -5.743 1.00 0.00 C ATOM 377 CG1 VAL A 25 -0.700 8.978 -6.841 1.00 0.00 C ATOM 378 CG2 VAL A 25 0.249 8.376 -4.605 1.00 0.00 C ATOM 0 H VAL A 25 -2.265 8.571 -3.355 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.768 7.611 -6.064 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.250 7.008 -6.163 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.312 9.173 -7.197 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.313 8.617 -7.667 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.129 9.899 -6.447 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.247 8.578 -4.993 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.155 9.282 -4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.305 7.590 -3.852 1.00 0.00 H new ATOM 388 N CYS A 26 -2.992 5.403 -4.983 1.00 0.00 N ATOM 389 CA CYS A 26 -3.121 4.061 -4.427 1.00 0.00 C ATOM 390 C CYS A 26 -3.734 3.115 -5.455 1.00 0.00 C ATOM 391 O CYS A 26 -4.946 2.896 -5.467 1.00 0.00 O ATOM 392 CB CYS A 26 -3.983 4.080 -3.162 1.00 0.00 C ATOM 393 SG CYS A 26 -3.202 4.878 -1.741 1.00 0.00 S ATOM 0 H CYS A 26 -3.650 5.609 -5.735 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.124 3.705 -4.167 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.919 4.593 -3.382 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.236 3.054 -2.894 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.220 5.626 -2.149 1.00 0.00 H new ATOM 399 N LYS A 27 -2.891 2.565 -6.321 1.00 0.00 N ATOM 400 CA LYS A 27 -3.353 1.646 -7.355 1.00 0.00 C ATOM 401 C LYS A 27 -3.470 0.215 -6.817 1.00 0.00 C ATOM 402 O LYS A 27 -4.505 -0.428 -6.994 1.00 0.00 O ATOM 403 CB LYS A 27 -2.420 1.688 -8.570 1.00 0.00 C ATOM 404 CG LYS A 27 -2.874 0.800 -9.719 1.00 0.00 C ATOM 405 CD LYS A 27 -4.219 1.245 -10.272 1.00 0.00 C ATOM 406 CE LYS A 27 -4.661 0.373 -11.436 1.00 0.00 C ATOM 407 NZ LYS A 27 -6.017 0.745 -11.926 1.00 0.00 N ATOM 0 H LYS A 27 -1.886 2.739 -6.328 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.346 1.969 -7.667 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.345 2.716 -8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.420 1.384 -8.260 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.128 0.822 -10.513 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.944 -0.232 -9.376 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.969 1.206 -9.482 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.154 2.283 -10.598 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.943 0.464 -12.251 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.661 -0.672 -11.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.281 0.127 -12.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.707 0.634 -11.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.011 1.735 -12.245 1.00 0.00 H new ATOM 421 N PRO A 28 -2.417 -0.315 -6.154 1.00 0.00 N ATOM 422 CA PRO A 28 -2.447 -1.674 -5.607 1.00 0.00 C ATOM 423 C PRO A 28 -3.310 -1.775 -4.352 1.00 0.00 C ATOM 424 O PRO A 28 -4.013 -2.767 -4.148 1.00 0.00 O ATOM 425 CB PRO A 28 -0.983 -1.953 -5.272 1.00 0.00 C ATOM 426 CG PRO A 28 -0.406 -0.613 -4.986 1.00 0.00 C ATOM 427 CD PRO A 28 -1.122 0.351 -5.894 1.00 0.00 C ATOM 0 HA PRO A 28 -2.881 -2.386 -6.308 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.892 -2.616 -4.412 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.471 -2.437 -6.104 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.548 -0.342 -3.940 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.667 -0.602 -5.175 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.259 1.323 -5.420 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.566 0.522 -6.816 1.00 0.00 H new ATOM 435 N GLU A 29 -3.257 -0.741 -3.517 1.00 0.00 N ATOM 436 CA GLU A 29 -4.027 -0.716 -2.285 1.00 0.00 C ATOM 437 C GLU A 29 -5.522 -0.730 -2.579 1.00 0.00 C ATOM 438 O GLU A 29 -6.301 -1.354 -1.857 1.00 0.00 O ATOM 439 CB GLU A 29 -3.662 0.523 -1.469 1.00 0.00 C ATOM 440 CG GLU A 29 -2.371 0.376 -0.677 1.00 0.00 C ATOM 441 CD GLU A 29 -1.171 0.095 -1.559 1.00 0.00 C ATOM 442 OE1 GLU A 29 -0.535 1.064 -2.022 1.00 0.00 O ATOM 443 OE2 GLU A 29 -0.867 -1.095 -1.786 1.00 0.00 O ATOM 0 H GLU A 29 -2.687 0.090 -3.675 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.785 -1.609 -1.708 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.570 1.376 -2.142 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.477 0.747 -0.780 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.193 1.289 -0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.483 -0.433 0.045 1.00 0.00 H new ATOM 450 N LYS A 30 -5.916 -0.040 -3.644 1.00 0.00 N ATOM 451 CA LYS A 30 -7.318 0.025 -4.037 1.00 0.00 C ATOM 452 C LYS A 30 -7.830 -1.353 -4.441 1.00 0.00 C ATOM 453 O LYS A 30 -8.930 -1.753 -4.056 1.00 0.00 O ATOM 454 CB LYS A 30 -7.499 1.011 -5.193 1.00 0.00 C ATOM 455 CG LYS A 30 -8.952 1.237 -5.578 1.00 0.00 C ATOM 456 CD LYS A 30 -9.074 2.205 -6.744 1.00 0.00 C ATOM 457 CE LYS A 30 -10.526 2.451 -7.117 1.00 0.00 C ATOM 458 NZ LYS A 30 -10.651 3.407 -8.251 1.00 0.00 N ATOM 0 H LYS A 30 -5.284 0.482 -4.250 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.897 0.372 -3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.052 1.966 -4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.955 0.643 -6.062 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.412 0.285 -5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.500 1.627 -4.721 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.599 3.151 -6.483 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.539 1.807 -7.606 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.998 1.506 -7.385 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.062 2.841 -6.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.656 3.549 -8.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.223 4.317 -7.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.161 3.023 -9.084 1.00 0.00 H new ATOM 472 N GLU A 31 -7.028 -2.076 -5.218 1.00 0.00 N ATOM 473 CA GLU A 31 -7.405 -3.411 -5.672 1.00 0.00 C ATOM 474 C GLU A 31 -7.553 -4.364 -4.491 1.00 0.00 C ATOM 475 O GLU A 31 -8.480 -5.172 -4.450 1.00 0.00 O ATOM 476 CB GLU A 31 -6.366 -3.953 -6.655 1.00 0.00 C ATOM 477 CG GLU A 31 -6.254 -3.134 -7.930 1.00 0.00 C ATOM 478 CD GLU A 31 -5.252 -3.712 -8.910 1.00 0.00 C ATOM 479 OE1 GLU A 31 -5.649 -4.567 -9.730 1.00 0.00 O ATOM 480 OE2 GLU A 31 -4.071 -3.310 -8.857 1.00 0.00 O ATOM 0 H GLU A 31 -6.115 -1.761 -5.546 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.367 -3.337 -6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.393 -3.982 -6.164 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.623 -4.980 -6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.232 -3.077 -8.408 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.963 -2.114 -7.678 1.00 0.00 H new ATOM 487 N GLU A 32 -6.634 -4.267 -3.536 1.00 0.00 N ATOM 488 CA GLU A 32 -6.673 -5.120 -2.354 1.00 0.00 C ATOM 489 C GLU A 32 -7.950 -4.886 -1.553 1.00 0.00 C ATOM 490 O GLU A 32 -8.615 -5.834 -1.137 1.00 0.00 O ATOM 491 CB GLU A 32 -5.448 -4.867 -1.472 1.00 0.00 C ATOM 492 CG GLU A 32 -4.142 -5.318 -2.102 1.00 0.00 C ATOM 493 CD GLU A 32 -2.944 -5.066 -1.206 1.00 0.00 C ATOM 494 OE1 GLU A 32 -2.708 -5.881 -0.289 1.00 0.00 O ATOM 495 OE2 GLU A 32 -2.243 -4.055 -1.421 1.00 0.00 O ATOM 0 H GLU A 32 -5.855 -3.608 -3.557 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.662 -6.158 -2.688 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.385 -3.802 -1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.581 -5.385 -0.522 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.202 -6.382 -2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.000 -4.795 -3.048 1.00 0.00 H new ATOM 502 N ARG A 33 -8.285 -3.616 -1.340 1.00 0.00 N ATOM 503 CA ARG A 33 -9.484 -3.255 -0.590 1.00 0.00 C ATOM 504 C ARG A 33 -10.730 -3.850 -1.241 1.00 0.00 C ATOM 505 O ARG A 33 -11.514 -4.543 -0.592 1.00 0.00 O ATOM 506 CB ARG A 33 -9.620 -1.733 -0.502 1.00 0.00 C ATOM 507 CG ARG A 33 -10.763 -1.275 0.391 1.00 0.00 C ATOM 508 CD ARG A 33 -11.033 0.214 0.237 1.00 0.00 C ATOM 509 NE ARG A 33 -11.516 0.548 -1.100 1.00 0.00 N ATOM 510 CZ ARG A 33 -11.995 1.742 -1.436 1.00 0.00 C ATOM 511 NH1 ARG A 33 -12.060 2.712 -0.533 1.00 0.00 N ATOM 512 NH2 ARG A 33 -12.416 1.965 -2.673 1.00 0.00 N ATOM 0 H ARG A 33 -7.743 -2.820 -1.676 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.389 -3.662 0.417 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.686 -1.314 -0.127 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.769 -1.331 -1.504 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.665 -1.836 0.145 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.524 -1.496 1.431 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.769 0.527 0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.119 0.771 0.442 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.484 -0.176 -1.817 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.742 2.543 0.421 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.428 3.627 -0.793 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.373 1.220 -3.369 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.783 2.881 -2.929 1.00 0.00 H new ATOM 526 N ASP A 34 -10.905 -3.569 -2.530 1.00 0.00 N ATOM 527 CA ASP A 34 -12.054 -4.075 -3.274 1.00 0.00 C ATOM 528 C ASP A 34 -12.116 -5.596 -3.216 1.00 0.00 C ATOM 529 O ASP A 34 -13.097 -6.166 -2.738 1.00 0.00 O ATOM 530 CB ASP A 34 -11.992 -3.610 -4.730 1.00 0.00 C ATOM 531 CG ASP A 34 -12.314 -2.136 -4.884 1.00 0.00 C ATOM 532 OD1 ASP A 34 -13.514 -1.789 -4.877 1.00 0.00 O ATOM 533 OD2 ASP A 34 -11.369 -1.330 -5.012 1.00 0.00 O ATOM 0 H ASP A 34 -10.266 -2.994 -3.080 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.957 -3.676 -2.811 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -10.996 -3.804 -5.128 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.693 -4.196 -5.325 1.00 0.00 H new ATOM 538 N THR A 35 -11.064 -6.249 -3.704 1.00 0.00 N ATOM 539 CA THR A 35 -11.000 -7.707 -3.709 1.00 0.00 C ATOM 540 C THR A 35 -11.312 -8.276 -2.328 1.00 0.00 C ATOM 541 O THR A 35 -11.855 -9.373 -2.209 1.00 0.00 O ATOM 542 CB THR A 35 -9.615 -8.210 -4.160 1.00 0.00 C ATOM 543 OG1 THR A 35 -9.275 -7.637 -5.429 1.00 0.00 O ATOM 544 CG2 THR A 35 -9.599 -9.729 -4.266 1.00 0.00 C ATOM 0 H THR A 35 -10.244 -5.790 -4.101 1.00 0.00 H new ATOM 0 HA THR A 35 -11.751 -8.053 -4.420 1.00 0.00 H new ATOM 0 HB THR A 35 -8.882 -7.904 -3.414 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.957 -6.719 -5.299 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.611 -10.061 -4.586 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.831 -10.164 -3.294 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.343 -10.051 -4.994 1.00 0.00 H new ATOM 552 N CYS A 36 -10.966 -7.523 -1.289 1.00 0.00 N ATOM 553 CA CYS A 36 -11.217 -7.952 0.082 1.00 0.00 C ATOM 554 C CYS A 36 -12.710 -7.924 0.395 1.00 0.00 C ATOM 555 O CYS A 36 -13.240 -8.842 1.020 1.00 0.00 O ATOM 556 CB CYS A 36 -10.463 -7.057 1.067 1.00 0.00 C ATOM 557 SG CYS A 36 -10.787 -7.437 2.804 1.00 0.00 S ATOM 0 H CYS A 36 -10.511 -6.614 -1.370 1.00 0.00 H new ATOM 0 HA CYS A 36 -10.859 -8.976 0.186 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.393 -7.149 0.879 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -10.732 -6.018 0.877 1.00 0.00 H new ATOM 0 HG CYS A 36 -9.750 -7.116 3.519 1.00 0.00 H new ATOM 563 N ILE A 37 -13.380 -6.864 -0.044 1.00 0.00 N ATOM 564 CA ILE A 37 -14.814 -6.713 0.189 1.00 0.00 C ATOM 565 C ILE A 37 -15.619 -7.711 -0.642 1.00 0.00 C ATOM 566 O ILE A 37 -16.704 -8.131 -0.243 1.00 0.00 O ATOM 567 CB ILE A 37 -15.287 -5.282 -0.136 1.00 0.00 C ATOM 568 CG1 ILE A 37 -14.482 -4.263 0.674 1.00 0.00 C ATOM 569 CG2 ILE A 37 -16.777 -5.136 0.145 1.00 0.00 C ATOM 570 CD1 ILE A 37 -14.759 -2.824 0.292 1.00 0.00 C ATOM 0 H ILE A 37 -12.954 -6.096 -0.563 1.00 0.00 H new ATOM 0 HA ILE A 37 -14.985 -6.912 1.247 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.120 -5.091 -1.196 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -14.704 -4.397 1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -13.419 -4.466 0.543 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -17.094 -4.120 -0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -17.334 -5.841 -0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -16.971 -5.342 1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -14.152 -2.161 0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.510 -2.672 -0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -15.814 -2.602 0.450 1.00 0.00 H new ATOM 582 N LEU A 38 -15.082 -8.089 -1.799 1.00 0.00 N ATOM 583 CA LEU A 38 -15.757 -9.034 -2.683 1.00 0.00 C ATOM 584 C LEU A 38 -15.484 -10.476 -2.265 1.00 0.00 C ATOM 585 O LEU A 38 -16.322 -11.357 -2.460 1.00 0.00 O ATOM 586 CB LEU A 38 -15.316 -8.821 -4.135 1.00 0.00 C ATOM 587 CG LEU A 38 -16.026 -7.684 -4.882 1.00 0.00 C ATOM 588 CD1 LEU A 38 -17.516 -7.967 -4.999 1.00 0.00 C ATOM 589 CD2 LEU A 38 -15.787 -6.350 -4.191 1.00 0.00 C ATOM 0 H LEU A 38 -14.182 -7.756 -2.146 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.829 -8.851 -2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.244 -8.625 -4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.476 -9.749 -4.685 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.608 -7.626 -5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -18.001 -7.149 -5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -17.668 -8.897 -5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.948 -8.058 -4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -16.300 -5.559 -4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -16.172 -6.394 -3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.718 -6.139 -4.166 1.00 0.00 H new ATOM 601 N PHE A 39 -14.309 -10.711 -1.689 1.00 0.00 N ATOM 602 CA PHE A 39 -13.929 -12.049 -1.249 1.00 0.00 C ATOM 603 C PHE A 39 -14.513 -12.352 0.127 1.00 0.00 C ATOM 604 O PHE A 39 -15.322 -13.268 0.281 1.00 0.00 O ATOM 605 CB PHE A 39 -12.405 -12.184 -1.212 1.00 0.00 C ATOM 606 CG PHE A 39 -11.928 -13.596 -1.019 1.00 0.00 C ATOM 607 CD1 PHE A 39 -11.723 -14.106 0.252 1.00 0.00 C ATOM 608 CD2 PHE A 39 -11.684 -14.412 -2.112 1.00 0.00 C ATOM 609 CE1 PHE A 39 -11.283 -15.403 0.430 1.00 0.00 C ATOM 610 CE2 PHE A 39 -11.243 -15.711 -1.940 1.00 0.00 C ATOM 611 CZ PHE A 39 -11.044 -16.207 -0.667 1.00 0.00 C ATOM 0 H PHE A 39 -13.605 -9.994 -1.516 1.00 0.00 H new ATOM 0 HA PHE A 39 -14.331 -12.768 -1.962 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -11.992 -11.794 -2.142 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.014 -11.564 -0.405 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -11.909 -13.482 1.114 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -11.840 -14.029 -3.110 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -11.126 -15.788 1.427 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -11.055 -16.337 -2.800 1.00 0.00 H new ATOM 0 HZ PHE A 39 -10.702 -17.222 -0.529 1.00 0.00 H new ATOM 621 N ASN A 40 -14.094 -11.579 1.123 1.00 0.00 N ATOM 622 CA ASN A 40 -14.576 -11.761 2.487 1.00 0.00 C ATOM 623 C ASN A 40 -16.053 -11.391 2.591 1.00 0.00 C ATOM 624 O ASN A 40 -16.875 -12.195 3.029 1.00 0.00 O ATOM 625 CB ASN A 40 -13.753 -10.912 3.457 1.00 0.00 C ATOM 626 CG ASN A 40 -12.275 -11.258 3.422 1.00 0.00 C ATOM 627 OD1 ASN A 40 -11.965 -12.518 3.137 1.00 0.00 O flip ATOM 628 ND2 ASN A 40 -11.422 -10.400 3.651 1.00 0.00 N flip ATOM 0 H ASN A 40 -13.421 -10.820 1.011 1.00 0.00 H new ATOM 0 HA ASN A 40 -14.463 -12.812 2.753 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -13.882 -9.858 3.212 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -14.132 -11.052 4.469 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -11.705 -9.444 3.866 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -10.432 -10.645 3.626 1.00 0.00 H new ATOM 635 N GLY A 41 -16.381 -10.169 2.182 1.00 0.00 N ATOM 636 CA GLY A 41 -17.757 -9.712 2.234 1.00 0.00 C ATOM 637 C GLY A 41 -17.874 -8.277 2.706 1.00 0.00 C ATOM 638 O GLY A 41 -16.888 -7.672 3.126 1.00 0.00 O ATOM 0 H GLY A 41 -15.717 -9.487 1.815 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -18.204 -9.803 1.244 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -18.326 -10.358 2.902 1.00 0.00 H new ATOM 642 N GLN A 42 -19.086 -7.731 2.638 1.00 0.00 N ATOM 643 CA GLN A 42 -19.331 -6.356 3.062 1.00 0.00 C ATOM 644 C GLN A 42 -19.934 -6.313 4.463 1.00 0.00 C ATOM 645 O GLN A 42 -20.171 -5.237 5.013 1.00 0.00 O ATOM 646 CB GLN A 42 -20.265 -5.656 2.073 1.00 0.00 C ATOM 647 CG GLN A 42 -21.646 -6.285 1.992 1.00 0.00 C ATOM 648 CD GLN A 42 -22.578 -5.534 1.062 1.00 0.00 C ATOM 649 OE1 GLN A 42 -22.142 -4.927 0.084 1.00 0.00 O ATOM 650 NE2 GLN A 42 -23.870 -5.573 1.365 1.00 0.00 N ATOM 0 H GLN A 42 -19.912 -8.220 2.294 1.00 0.00 H new ATOM 0 HA GLN A 42 -18.374 -5.835 3.083 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -20.368 -4.610 2.361 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -19.809 -5.671 1.083 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -21.552 -7.316 1.650 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -22.084 -6.319 2.989 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -24.186 -6.089 2.186 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -24.547 -5.087 0.777 1.00 0.00 H new ATOM 659 N ASP A 43 -20.182 -7.487 5.035 1.00 0.00 N ATOM 660 CA ASP A 43 -20.759 -7.576 6.372 1.00 0.00 C ATOM 661 C ASP A 43 -19.737 -8.096 7.376 1.00 0.00 C ATOM 662 O ASP A 43 -20.017 -8.184 8.572 1.00 0.00 O ATOM 663 CB ASP A 43 -21.990 -8.485 6.361 1.00 0.00 C ATOM 664 CG ASP A 43 -21.667 -9.891 5.897 1.00 0.00 C ATOM 665 OD1 ASP A 43 -21.328 -10.736 6.753 1.00 0.00 O ATOM 666 OD2 ASP A 43 -21.752 -10.149 4.678 1.00 0.00 O ATOM 0 H ASP A 43 -19.993 -8.388 4.595 1.00 0.00 H new ATOM 0 HA ASP A 43 -21.059 -6.573 6.676 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -22.417 -8.525 7.363 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -22.749 -8.055 5.708 1.00 0.00 H new ATOM 671 N SER A 44 -18.551 -8.441 6.883 1.00 0.00 N ATOM 672 CA SER A 44 -17.486 -8.952 7.740 1.00 0.00 C ATOM 673 C SER A 44 -16.803 -7.818 8.498 1.00 0.00 C ATOM 674 O SER A 44 -16.871 -6.657 8.093 1.00 0.00 O ATOM 675 CB SER A 44 -16.456 -9.718 6.910 1.00 0.00 C ATOM 676 OG SER A 44 -15.420 -10.230 7.729 1.00 0.00 O ATOM 0 H SER A 44 -18.303 -8.376 5.896 1.00 0.00 H new ATOM 0 HA SER A 44 -17.935 -9.631 8.465 1.00 0.00 H new ATOM 0 HB2 SER A 44 -16.946 -10.537 6.383 1.00 0.00 H new ATOM 0 HB3 SER A 44 -16.033 -9.059 6.152 1.00 0.00 H new ATOM 0 HG SER A 44 -14.775 -10.717 7.175 1.00 0.00 H new ATOM 682 N GLU A 45 -16.144 -8.165 9.599 1.00 0.00 N ATOM 683 CA GLU A 45 -15.446 -7.181 10.419 1.00 0.00 C ATOM 684 C GLU A 45 -13.937 -7.263 10.204 1.00 0.00 C ATOM 685 O GLU A 45 -13.220 -6.279 10.386 1.00 0.00 O ATOM 686 CB GLU A 45 -15.775 -7.402 11.897 1.00 0.00 C ATOM 687 CG GLU A 45 -15.155 -6.367 12.821 1.00 0.00 C ATOM 688 CD GLU A 45 -15.481 -6.618 14.280 1.00 0.00 C ATOM 689 OE1 GLU A 45 -16.535 -6.135 14.745 1.00 0.00 O ATOM 690 OE2 GLU A 45 -14.682 -7.299 14.958 1.00 0.00 O ATOM 0 H GLU A 45 -16.079 -9.122 9.945 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.782 -6.188 10.120 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.857 -7.389 12.025 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.431 -8.393 12.193 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.073 -6.369 12.689 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.509 -5.375 12.539 1.00 0.00 H new ATOM 697 N LYS A 46 -13.462 -8.442 9.812 1.00 0.00 N ATOM 698 CA LYS A 46 -12.037 -8.654 9.574 1.00 0.00 C ATOM 699 C LYS A 46 -11.610 -8.056 8.238 1.00 0.00 C ATOM 700 O LYS A 46 -10.421 -8.010 7.920 1.00 0.00 O ATOM 701 CB LYS A 46 -11.707 -10.149 9.604 1.00 0.00 C ATOM 702 CG LYS A 46 -12.026 -10.828 10.930 1.00 0.00 C ATOM 703 CD LYS A 46 -10.898 -10.664 11.940 1.00 0.00 C ATOM 704 CE LYS A 46 -10.973 -9.327 12.664 1.00 0.00 C ATOM 705 NZ LYS A 46 -9.906 -9.193 13.694 1.00 0.00 N ATOM 0 H LYS A 46 -14.043 -9.265 9.652 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.486 -8.151 10.369 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.261 -10.649 8.809 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.647 -10.281 9.386 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.944 -10.408 11.341 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.209 -11.889 10.759 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.942 -11.474 12.668 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.939 -10.747 11.429 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.883 -8.517 11.940 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.950 -9.225 13.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.991 -8.269 14.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.007 -9.951 14.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.973 -9.265 13.239 1.00 0.00 H new ATOM 719 N CYS A 47 -12.586 -7.601 7.458 1.00 0.00 N ATOM 720 CA CYS A 47 -12.308 -7.003 6.158 1.00 0.00 C ATOM 721 C CYS A 47 -12.232 -5.485 6.269 1.00 0.00 C ATOM 722 O CYS A 47 -12.067 -4.786 5.269 1.00 0.00 O ATOM 723 CB CYS A 47 -13.388 -7.395 5.149 1.00 0.00 C ATOM 724 SG CYS A 47 -15.036 -6.772 5.551 1.00 0.00 S ATOM 0 H CYS A 47 -13.575 -7.635 7.704 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.345 -7.378 5.811 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.102 -7.025 4.165 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -13.429 -8.482 5.081 1.00 0.00 H new ATOM 0 HG CYS A 47 -15.865 -7.096 4.604 1.00 0.00 H new ATOM 730 N LYS A 48 -12.355 -4.982 7.492 1.00 0.00 N ATOM 731 CA LYS A 48 -12.304 -3.547 7.739 1.00 0.00 C ATOM 732 C LYS A 48 -10.863 -3.063 7.853 1.00 0.00 C ATOM 733 O LYS A 48 -10.590 -1.867 7.742 1.00 0.00 O ATOM 734 CB LYS A 48 -13.077 -3.200 9.014 1.00 0.00 C ATOM 735 CG LYS A 48 -14.553 -3.556 8.949 1.00 0.00 C ATOM 736 CD LYS A 48 -15.297 -3.077 10.185 1.00 0.00 C ATOM 737 CE LYS A 48 -16.771 -3.438 10.122 1.00 0.00 C ATOM 738 NZ LYS A 48 -17.516 -2.937 11.311 1.00 0.00 N ATOM 0 H LYS A 48 -12.491 -5.549 8.329 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.769 -3.042 6.893 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.623 -3.721 9.857 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.978 -2.132 9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.997 -3.109 8.060 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -14.664 -4.636 8.852 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.850 -3.521 11.075 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -15.190 -1.996 10.280 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -17.209 -3.019 9.216 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.877 -4.521 10.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -18.518 -3.204 11.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -17.115 -3.356 12.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.436 -1.901 11.360 1.00 0.00 H new ATOM 752 N GLU A 49 -9.943 -3.998 8.075 1.00 0.00 N ATOM 753 CA GLU A 49 -8.528 -3.664 8.201 1.00 0.00 C ATOM 754 C GLU A 49 -7.986 -3.099 6.892 1.00 0.00 C ATOM 755 O GLU A 49 -7.217 -2.138 6.889 1.00 0.00 O ATOM 756 CB GLU A 49 -7.721 -4.897 8.607 1.00 0.00 C ATOM 757 CG GLU A 49 -8.153 -5.504 9.931 1.00 0.00 C ATOM 758 CD GLU A 49 -7.326 -6.718 10.312 1.00 0.00 C ATOM 759 OE1 GLU A 49 -7.682 -7.835 9.883 1.00 0.00 O ATOM 760 OE2 GLU A 49 -6.322 -6.550 11.035 1.00 0.00 O ATOM 0 H GLU A 49 -10.152 -4.992 8.171 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.429 -2.904 8.976 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.810 -5.652 7.826 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.667 -4.626 8.669 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.071 -4.752 10.716 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.203 -5.789 9.871 1.00 0.00 H new ATOM 767 N PHE A 50 -8.393 -3.704 5.780 1.00 0.00 N ATOM 768 CA PHE A 50 -7.950 -3.262 4.463 1.00 0.00 C ATOM 769 C PHE A 50 -8.542 -1.899 4.125 1.00 0.00 C ATOM 770 O PHE A 50 -7.888 -1.067 3.495 1.00 0.00 O ATOM 771 CB PHE A 50 -8.344 -4.283 3.396 1.00 0.00 C ATOM 772 CG PHE A 50 -7.607 -5.588 3.511 1.00 0.00 C ATOM 773 CD1 PHE A 50 -7.960 -6.515 4.478 1.00 0.00 C ATOM 774 CD2 PHE A 50 -6.562 -5.885 2.652 1.00 0.00 C ATOM 775 CE1 PHE A 50 -7.283 -7.715 4.587 1.00 0.00 C ATOM 776 CE2 PHE A 50 -5.881 -7.083 2.756 1.00 0.00 C ATOM 777 CZ PHE A 50 -6.242 -8.000 3.724 1.00 0.00 C ATOM 0 H PHE A 50 -9.029 -4.501 5.765 1.00 0.00 H new ATOM 0 HA PHE A 50 -6.864 -3.174 4.482 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.415 -4.473 3.465 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -8.158 -3.856 2.410 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.773 -6.298 5.154 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.276 -5.172 1.892 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -7.567 -8.429 5.346 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.067 -7.302 2.081 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.712 -8.937 3.806 1.00 0.00 H new ATOM 787 N ILE A 51 -9.782 -1.677 4.546 1.00 0.00 N ATOM 788 CA ILE A 51 -10.459 -0.413 4.290 1.00 0.00 C ATOM 789 C ILE A 51 -9.745 0.735 4.996 1.00 0.00 C ATOM 790 O ILE A 51 -9.363 1.724 4.366 1.00 0.00 O ATOM 791 CB ILE A 51 -11.929 -0.457 4.751 1.00 0.00 C ATOM 792 CG1 ILE A 51 -12.631 -1.690 4.178 1.00 0.00 C ATOM 793 CG2 ILE A 51 -12.653 0.814 4.330 1.00 0.00 C ATOM 794 CD1 ILE A 51 -14.031 -1.901 4.716 1.00 0.00 C ATOM 0 H ILE A 51 -10.338 -2.356 5.066 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.435 -0.248 3.213 1.00 0.00 H new ATOM 0 HB ILE A 51 -11.951 -0.523 5.839 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -12.679 -1.598 3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -12.031 -2.573 4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -13.690 0.769 4.662 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -12.165 1.678 4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.624 0.907 3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.464 -2.793 4.264 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -13.990 -2.026 5.798 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -14.648 -1.036 4.474 1.00 0.00 H new ATOM 806 N GLU A 52 -9.564 0.597 6.307 1.00 0.00 N ATOM 807 CA GLU A 52 -8.891 1.621 7.096 1.00 0.00 C ATOM 808 C GLU A 52 -7.464 1.827 6.598 1.00 0.00 C ATOM 809 O GLU A 52 -6.955 2.949 6.587 1.00 0.00 O ATOM 810 CB GLU A 52 -8.880 1.240 8.580 1.00 0.00 C ATOM 811 CG GLU A 52 -8.123 -0.043 8.879 1.00 0.00 C ATOM 812 CD GLU A 52 -8.135 -0.396 10.354 1.00 0.00 C ATOM 813 OE1 GLU A 52 -7.292 0.143 11.101 1.00 0.00 O ATOM 814 OE2 GLU A 52 -8.988 -1.212 10.761 1.00 0.00 O ATOM 0 H GLU A 52 -9.874 -0.213 6.843 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.441 2.555 6.981 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.435 2.055 9.151 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.908 1.133 8.925 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.563 -0.862 8.310 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.092 0.061 8.542 1.00 0.00 H new ATOM 821 N LYS A 53 -6.827 0.736 6.183 1.00 0.00 N ATOM 822 CA LYS A 53 -5.463 0.793 5.674 1.00 0.00 C ATOM 823 C LYS A 53 -5.399 1.642 4.410 1.00 0.00 C ATOM 824 O LYS A 53 -4.456 2.406 4.210 1.00 0.00 O ATOM 825 CB LYS A 53 -4.941 -0.614 5.395 1.00 0.00 C ATOM 826 CG LYS A 53 -3.564 -0.641 4.751 1.00 0.00 C ATOM 827 CD LYS A 53 -3.140 -2.057 4.397 1.00 0.00 C ATOM 828 CE LYS A 53 -1.763 -2.080 3.754 1.00 0.00 C ATOM 829 NZ LYS A 53 -1.346 -3.458 3.377 1.00 0.00 N ATOM 0 H LYS A 53 -7.235 -0.199 6.190 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.831 1.255 6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.905 -1.170 6.332 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.646 -1.131 4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.571 -0.027 3.851 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.835 -0.201 5.431 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.133 -2.672 5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.869 -2.497 3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.767 -1.447 2.867 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.033 -1.657 4.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.402 -3.428 2.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.317 -4.057 4.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.027 -3.853 2.698 1.00 0.00 H new ATOM 843 N TYR A 54 -6.412 1.501 3.561 1.00 0.00 N ATOM 844 CA TYR A 54 -6.481 2.258 2.317 1.00 0.00 C ATOM 845 C TYR A 54 -6.777 3.727 2.599 1.00 0.00 C ATOM 846 O TYR A 54 -6.325 4.614 1.875 1.00 0.00 O ATOM 847 CB TYR A 54 -7.559 1.673 1.399 1.00 0.00 C ATOM 848 CG TYR A 54 -7.775 2.464 0.128 1.00 0.00 C ATOM 849 CD1 TYR A 54 -6.974 2.258 -0.988 1.00 0.00 C ATOM 850 CD2 TYR A 54 -8.782 3.418 0.045 1.00 0.00 C ATOM 851 CE1 TYR A 54 -7.170 2.981 -2.149 1.00 0.00 C ATOM 852 CE2 TYR A 54 -8.984 4.144 -1.114 1.00 0.00 C ATOM 853 CZ TYR A 54 -8.174 3.922 -2.207 1.00 0.00 C ATOM 854 OH TYR A 54 -8.371 4.643 -3.362 1.00 0.00 O ATOM 0 H TYR A 54 -7.197 0.868 3.713 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.514 2.187 1.818 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.284 0.651 1.137 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.500 1.620 1.947 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.186 1.521 -0.948 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.417 3.595 0.900 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -6.538 2.809 -3.008 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -9.772 4.881 -1.163 1.00 0.00 H new ATOM 0 HH TYR A 54 -9.119 5.263 -3.237 1.00 0.00 H new ATOM 864 N LYS A 55 -7.540 3.975 3.659 1.00 0.00 N ATOM 865 CA LYS A 55 -7.902 5.336 4.042 1.00 0.00 C ATOM 866 C LYS A 55 -6.672 6.138 4.458 1.00 0.00 C ATOM 867 O LYS A 55 -6.444 7.242 3.965 1.00 0.00 O ATOM 868 CB LYS A 55 -8.917 5.309 5.188 1.00 0.00 C ATOM 869 CG LYS A 55 -9.344 6.690 5.660 1.00 0.00 C ATOM 870 CD LYS A 55 -10.291 6.611 6.848 1.00 0.00 C ATOM 871 CE LYS A 55 -11.628 5.998 6.459 1.00 0.00 C ATOM 872 NZ LYS A 55 -12.289 6.761 5.365 1.00 0.00 N ATOM 0 H LYS A 55 -7.920 3.251 4.269 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.349 5.822 3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.800 4.756 4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.488 4.764 6.029 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.463 7.269 5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.831 7.220 4.841 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.834 6.017 7.639 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.452 7.610 7.253 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.476 4.966 6.142 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.283 5.971 7.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.296 6.504 5.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.199 7.781 5.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.834 6.532 4.458 1.00 0.00 H new ATOM 886 N GLU A 56 -5.882 5.575 5.368 1.00 0.00 N ATOM 887 CA GLU A 56 -4.681 6.242 5.858 1.00 0.00 C ATOM 888 C GLU A 56 -3.576 6.260 4.801 1.00 0.00 C ATOM 889 O GLU A 56 -2.876 7.260 4.644 1.00 0.00 O ATOM 890 CB GLU A 56 -4.177 5.553 7.128 1.00 0.00 C ATOM 891 CG GLU A 56 -3.876 4.075 6.940 1.00 0.00 C ATOM 892 CD GLU A 56 -3.420 3.404 8.220 1.00 0.00 C ATOM 893 OE1 GLU A 56 -2.198 3.391 8.482 1.00 0.00 O ATOM 894 OE2 GLU A 56 -4.284 2.890 8.961 1.00 0.00 O ATOM 0 H GLU A 56 -6.053 4.658 5.781 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.945 7.275 6.085 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.274 6.058 7.472 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.924 5.666 7.914 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.768 3.571 6.568 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.104 3.959 6.179 1.00 0.00 H new ATOM 901 N CYS A 57 -3.425 5.153 4.081 1.00 0.00 N ATOM 902 CA CYS A 57 -2.399 5.046 3.048 1.00 0.00 C ATOM 903 C CYS A 57 -2.613 6.078 1.944 1.00 0.00 C ATOM 904 O CYS A 57 -1.657 6.676 1.449 1.00 0.00 O ATOM 905 CB CYS A 57 -2.389 3.640 2.448 1.00 0.00 C ATOM 906 SG CYS A 57 -1.153 3.397 1.151 1.00 0.00 S ATOM 0 H CYS A 57 -3.999 4.318 4.193 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.435 5.242 3.518 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.210 2.918 3.245 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.376 3.425 2.039 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.620 3.834 0.019 1.00 0.00 H new ATOM 912 N MET A 58 -3.869 6.281 1.559 1.00 0.00 N ATOM 913 CA MET A 58 -4.198 7.241 0.510 1.00 0.00 C ATOM 914 C MET A 58 -4.138 8.669 1.041 1.00 0.00 C ATOM 915 O MET A 58 -3.633 9.569 0.370 1.00 0.00 O ATOM 916 CB MET A 58 -5.591 6.958 -0.059 1.00 0.00 C ATOM 917 CG MET A 58 -5.863 7.669 -1.375 1.00 0.00 C ATOM 918 SD MET A 58 -7.481 8.463 -1.415 1.00 0.00 S ATOM 919 CE MET A 58 -7.263 9.729 -0.168 1.00 0.00 C ATOM 0 H MET A 58 -4.674 5.796 1.956 1.00 0.00 H new ATOM 0 HA MET A 58 -3.460 7.134 -0.285 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.704 5.884 -0.205 1.00 0.00 H new ATOM 0 HB3 MET A 58 -6.342 7.261 0.671 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.090 8.419 -1.545 1.00 0.00 H new ATOM 0 HG3 MET A 58 -5.795 6.951 -2.192 1.00 0.00 H new ATOM 0 HE1 MET A 58 -8.232 10.154 0.092 1.00 0.00 H new ATOM 0 HE2 MET A 58 -6.809 9.290 0.720 1.00 0.00 H new ATOM 0 HE3 MET A 58 -6.615 10.515 -0.556 1.00 0.00 H new ATOM 929 N LYS A 59 -4.655 8.867 2.250 1.00 0.00 N ATOM 930 CA LYS A 59 -4.658 10.187 2.871 1.00 0.00 C ATOM 931 C LYS A 59 -3.240 10.610 3.242 1.00 0.00 C ATOM 932 O LYS A 59 -2.970 11.792 3.461 1.00 0.00 O ATOM 933 CB LYS A 59 -5.549 10.186 4.116 1.00 0.00 C ATOM 934 CG LYS A 59 -5.710 11.558 4.752 1.00 0.00 C ATOM 935 CD LYS A 59 -6.632 11.512 5.962 1.00 0.00 C ATOM 936 CE LYS A 59 -6.015 10.726 7.108 1.00 0.00 C ATOM 937 NZ LYS A 59 -4.735 11.330 7.569 1.00 0.00 N ATOM 0 H LYS A 59 -5.076 8.132 2.818 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.056 10.903 2.152 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.533 9.802 3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.129 9.501 4.852 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.733 11.937 5.053 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.110 12.256 4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.850 12.528 6.293 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.582 11.058 5.679 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.718 10.685 7.940 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.838 9.699 6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.494 10.957 8.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.977 11.092 6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.838 12.363 7.622 1.00 0.00 H new ATOM 951 N GLY A 60 -2.338 9.636 3.312 1.00 0.00 N ATOM 952 CA GLY A 60 -0.958 9.925 3.652 1.00 0.00 C ATOM 953 C GLY A 60 -0.286 10.814 2.625 1.00 0.00 C ATOM 954 O GLY A 60 0.644 11.554 2.947 1.00 0.00 O ATOM 0 H GLY A 60 -2.539 8.651 3.139 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.920 10.409 4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.404 8.990 3.738 1.00 0.00 H new ATOM 958 N TYR A 61 -0.757 10.739 1.384 1.00 0.00 N ATOM 959 CA TYR A 61 -0.199 11.542 0.303 1.00 0.00 C ATOM 960 C TYR A 61 -1.237 12.521 -0.237 1.00 0.00 C ATOM 961 O TYR A 61 -0.946 13.321 -1.127 1.00 0.00 O ATOM 962 CB TYR A 61 0.302 10.638 -0.824 1.00 0.00 C ATOM 963 CG TYR A 61 1.369 9.660 -0.385 1.00 0.00 C ATOM 964 CD1 TYR A 61 1.029 8.417 0.131 1.00 0.00 C ATOM 965 CD2 TYR A 61 2.717 9.982 -0.484 1.00 0.00 C ATOM 966 CE1 TYR A 61 2.000 7.521 0.536 1.00 0.00 C ATOM 967 CE2 TYR A 61 3.695 9.092 -0.082 1.00 0.00 C ATOM 968 CZ TYR A 61 3.331 7.863 0.428 1.00 0.00 C ATOM 969 OH TYR A 61 4.302 6.974 0.830 1.00 0.00 O ATOM 0 H TYR A 61 -1.525 10.129 1.103 1.00 0.00 H new ATOM 0 HA TYR A 61 0.640 12.113 0.701 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.541 10.083 -1.236 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.698 11.259 -1.628 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.013 8.145 0.217 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.005 10.944 -0.882 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.718 6.558 0.935 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.738 9.357 -0.167 1.00 0.00 H new ATOM 0 HH TYR A 61 5.187 7.369 0.686 1.00 0.00 H new ATOM 979 N GLY A 62 -2.449 12.453 0.307 1.00 0.00 N ATOM 980 CA GLY A 62 -3.510 13.339 -0.135 1.00 0.00 C ATOM 981 C GLY A 62 -4.750 13.245 0.732 1.00 0.00 C ATOM 982 O GLY A 62 -4.657 13.125 1.953 1.00 0.00 O ATOM 0 H GLY A 62 -2.714 11.801 1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.145 14.366 -0.130 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.773 13.099 -1.165 1.00 0.00 H new ATOM 986 N PHE A 63 -5.915 13.303 0.093 1.00 0.00 N ATOM 987 CA PHE A 63 -7.191 13.226 0.797 1.00 0.00 C ATOM 988 C PHE A 63 -8.346 13.192 -0.196 1.00 0.00 C ATOM 989 O PHE A 63 -8.343 13.920 -1.190 1.00 0.00 O ATOM 990 CB PHE A 63 -7.358 14.414 1.747 1.00 0.00 C ATOM 991 CG PHE A 63 -8.634 14.373 2.543 1.00 0.00 C ATOM 992 CD1 PHE A 63 -8.726 13.600 3.689 1.00 0.00 C ATOM 993 CD2 PHE A 63 -9.740 15.104 2.142 1.00 0.00 C ATOM 994 CE1 PHE A 63 -9.897 13.558 4.422 1.00 0.00 C ATOM 995 CE2 PHE A 63 -10.915 15.066 2.870 1.00 0.00 C ATOM 996 CZ PHE A 63 -10.992 14.292 4.012 1.00 0.00 C ATOM 0 H PHE A 63 -6.001 13.404 -0.918 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.199 12.306 1.382 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.512 14.441 2.434 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.329 15.338 1.169 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.872 13.023 4.014 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.684 15.711 1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.955 12.952 5.314 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -11.771 15.640 2.547 1.00 0.00 H new ATOM 0 HZ PHE A 63 -11.908 14.261 4.583 1.00 0.00 H new ATOM 1006 N GLU A 64 -9.334 12.347 0.080 1.00 0.00 N ATOM 1007 CA GLU A 64 -10.495 12.219 -0.792 1.00 0.00 C ATOM 1008 C GLU A 64 -11.612 11.442 -0.101 1.00 0.00 C ATOM 1009 O GLU A 64 -12.789 11.620 -0.412 1.00 0.00 O ATOM 1010 CB GLU A 64 -10.104 11.521 -2.096 1.00 0.00 C ATOM 1011 CG GLU A 64 -11.234 11.445 -3.111 1.00 0.00 C ATOM 1012 CD GLU A 64 -11.805 12.808 -3.454 1.00 0.00 C ATOM 1013 OE1 GLU A 64 -11.084 13.616 -4.075 1.00 0.00 O ATOM 1014 OE2 GLU A 64 -12.974 13.068 -3.099 1.00 0.00 O ATOM 0 H GLU A 64 -9.354 11.741 0.900 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.860 13.221 -1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.262 12.049 -2.542 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.763 10.511 -1.869 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.868 10.969 -4.021 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.029 10.811 -2.717 1.00 0.00 H new ATOM 1021 N VAL A 65 -11.232 10.580 0.837 1.00 0.00 N ATOM 1022 CA VAL A 65 -12.189 9.775 1.571 1.00 0.00 C ATOM 1023 C VAL A 65 -13.179 10.652 2.338 1.00 0.00 C ATOM 1024 O VAL A 65 -12.842 11.762 2.750 1.00 0.00 O ATOM 1025 CB VAL A 65 -11.467 8.842 2.556 1.00 0.00 C ATOM 1026 CG1 VAL A 65 -10.615 7.831 1.806 1.00 0.00 C ATOM 1027 CG2 VAL A 65 -10.622 9.646 3.532 1.00 0.00 C ATOM 0 H VAL A 65 -10.260 10.424 1.104 1.00 0.00 H new ATOM 0 HA VAL A 65 -12.740 9.179 0.844 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.217 8.296 3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.111 7.179 2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.251 7.232 1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.871 8.356 1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.119 8.968 4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.878 10.222 2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -11.263 10.325 4.094 1.00 0.00 H new ATOM 1037 N PRO A 66 -14.417 10.163 2.538 1.00 0.00 N ATOM 1038 CA PRO A 66 -15.452 10.912 3.257 1.00 0.00 C ATOM 1039 C PRO A 66 -15.176 10.993 4.754 1.00 0.00 C ATOM 1040 O PRO A 66 -14.516 10.122 5.320 1.00 0.00 O ATOM 1041 CB PRO A 66 -16.723 10.103 2.992 1.00 0.00 C ATOM 1042 CG PRO A 66 -16.243 8.713 2.757 1.00 0.00 C ATOM 1043 CD PRO A 66 -14.905 8.845 2.083 1.00 0.00 C ATOM 0 HA PRO A 66 -15.511 11.948 2.923 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.406 10.148 3.841 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -17.264 10.487 2.127 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -16.155 8.167 3.696 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -16.942 8.159 2.131 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.227 8.043 2.376 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -14.997 8.804 0.998 1.00 0.00 H new ATOM 1051 N SER A 67 -15.688 12.044 5.389 1.00 0.00 N ATOM 1052 CA SER A 67 -15.499 12.240 6.822 1.00 0.00 C ATOM 1053 C SER A 67 -16.802 12.673 7.488 1.00 0.00 C ATOM 1054 O SER A 67 -17.340 13.738 7.184 1.00 0.00 O ATOM 1055 CB SER A 67 -14.410 13.284 7.078 1.00 0.00 C ATOM 1056 OG SER A 67 -14.750 14.530 6.498 1.00 0.00 O ATOM 0 H SER A 67 -16.237 12.773 4.933 1.00 0.00 H new ATOM 0 HA SER A 67 -15.188 11.289 7.255 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.265 13.407 8.151 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.463 12.934 6.666 1.00 0.00 H new ATOM 0 HG SER A 67 -15.725 14.623 6.470 1.00 0.00 H new ATOM 1062 N ALA A 68 -17.302 11.839 8.394 1.00 0.00 N ATOM 1063 CA ALA A 68 -18.543 12.134 9.103 1.00 0.00 C ATOM 1064 C ALA A 68 -18.337 12.078 10.613 1.00 0.00 C ATOM 1065 O ALA A 68 -17.382 11.471 11.096 1.00 0.00 O ATOM 1066 CB ALA A 68 -19.633 11.160 8.681 1.00 0.00 C ATOM 0 H ALA A 68 -16.867 10.954 8.655 1.00 0.00 H new ATOM 0 HA ALA A 68 -18.853 13.146 8.842 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.554 11.390 9.217 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -19.805 11.249 7.608 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -19.322 10.142 8.915 1.00 0.00 H new ATOM 1072 N ASN A 69 -19.238 12.715 11.356 1.00 0.00 N ATOM 1073 CA ASN A 69 -19.152 12.736 12.812 1.00 0.00 C ATOM 1074 C ASN A 69 -19.783 11.484 13.412 1.00 0.00 C ATOM 1075 O ASN A 69 -21.009 11.496 13.652 1.00 0.00 O ATOM 1076 CB ASN A 69 -19.836 13.987 13.371 1.00 0.00 C ATOM 1077 CG ASN A 69 -19.178 15.268 12.894 1.00 0.00 C ATOM 1078 OD1 ASN A 69 -18.255 15.780 13.529 1.00 0.00 O ATOM 1079 ND2 ASN A 69 -19.653 15.796 11.771 1.00 0.00 N ATOM 1080 OXT ASN A 69 -19.046 10.502 13.638 1.00 0.00 O ATOM 0 H ASN A 69 -20.035 13.223 10.973 1.00 0.00 H new ATOM 0 HA ASN A 69 -18.097 12.757 13.087 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -20.885 13.988 13.074 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -19.814 13.954 14.460 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -19.252 16.659 11.403 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -20.419 15.339 11.277 1.00 0.00 H new TER 1087 ASN A 69