USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 790 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -83:sc= 1.27 USER MOD Single : A 16 SER OG : rot 66:sc= 1.24 USER MOD Single : A 33 LYS NZ :NH3+ 157:sc= 1.67 (180deg=1.06) USER MOD Single : A 34 MET CE :methyl -152:sc= -0.0715 (180deg=-0.296) USER MOD Single : A 44 GLN : amide:sc= 0.168 X(o=0.17,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= 1.23 (180deg=1.16) USER MOD Single : A 51 LYS NZ :NH3+ -175:sc= 3.57 (180deg=3.51) USER MOD Single : A 54 LYS NZ :NH3+ -167:sc= 1.22 (180deg=1.18) USER MOD Single : A 60 ASN : amide:sc= 0.849 K(o=0.85,f=-4.3!) USER MOD Single : A 61 GLN : amide:sc= 1.09 K(o=1.1,f=-0.063) USER MOD Single : A 63 THR OG1 : rot -64:sc= 1.22 USER MOD Single : A 66 LYS NZ :NH3+ -165:sc= 1.23 (180deg=0.722) USER MOD Single : A 67 TYR OH : rot -145:sc= 0.259 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 141:sc= 1.25 USER MOD Single : A 79 LYS NZ :NH3+ 176:sc= 1.2 (180deg=1.13) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 5:sc= 0.432 USER MOD Single : A 91 LYS NZ :NH3+ -170:sc= 1.77 (180deg=1.62) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.335 X(o=-0.34,f=0) USER MOD Single : A 101 ASN : amide:sc=-0.000726 X(o=-0.00073,f=-0.27) USER MOD Single : A 102 LYS NZ :NH3+ -167:sc= 1.18 (180deg=0.985) USER MOD Single : A 103 HIS : no HE2:sc= -1.21 K(o=-1.2,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 30 N ILE A 3 6.146 2.176 0.804 1.00 0.00 N ATOM 31 CA ILE A 3 6.987 2.638 1.902 1.00 0.00 C ATOM 32 C ILE A 3 6.338 3.908 2.471 1.00 0.00 C ATOM 33 O ILE A 3 5.771 4.721 1.733 1.00 0.00 O ATOM 34 CB ILE A 3 8.429 2.892 1.394 1.00 0.00 C ATOM 35 CG1 ILE A 3 9.081 1.591 0.866 1.00 0.00 C ATOM 36 CG2 ILE A 3 9.358 3.491 2.472 1.00 0.00 C ATOM 37 CD1 ILE A 3 9.907 1.849 -0.393 1.00 0.00 C ATOM 0 HA ILE A 3 7.064 1.889 2.691 1.00 0.00 H new ATOM 0 HB ILE A 3 8.320 3.617 0.588 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.719 1.163 1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.306 0.856 0.649 1.00 0.00 H new ATOM 0 HG21 ILE A 3 10.352 3.644 2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.955 4.446 2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.423 2.806 3.317 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.350 0.914 -0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 3 9.263 2.253 -1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.698 2.564 -0.169 1.00 0.00 H new ATOM 49 N VAL A 4 6.459 4.088 3.782 1.00 0.00 N ATOM 50 CA VAL A 4 5.929 5.191 4.568 1.00 0.00 C ATOM 51 C VAL A 4 7.064 5.628 5.508 1.00 0.00 C ATOM 52 O VAL A 4 8.040 4.895 5.710 1.00 0.00 O ATOM 53 CB VAL A 4 4.650 4.718 5.313 1.00 0.00 C ATOM 54 CG1 VAL A 4 3.927 5.839 6.076 1.00 0.00 C ATOM 55 CG2 VAL A 4 3.618 4.081 4.363 1.00 0.00 C ATOM 0 H VAL A 4 6.966 3.419 4.362 1.00 0.00 H new ATOM 0 HA VAL A 4 5.622 6.045 3.964 1.00 0.00 H new ATOM 0 HB VAL A 4 5.026 3.982 6.024 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.045 5.432 6.570 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.598 6.262 6.823 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.624 6.618 5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.743 3.768 4.933 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.318 4.810 3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.061 3.214 3.873 1.00 0.00 H new ATOM 65 N LYS A 5 6.942 6.817 6.095 1.00 0.00 N ATOM 66 CA LYS A 5 7.867 7.346 7.093 1.00 0.00 C ATOM 67 C LYS A 5 7.055 7.611 8.354 1.00 0.00 C ATOM 68 O LYS A 5 5.885 7.989 8.247 1.00 0.00 O ATOM 69 CB LYS A 5 8.516 8.628 6.568 1.00 0.00 C ATOM 70 CG LYS A 5 9.751 9.037 7.396 1.00 0.00 C ATOM 71 CD LYS A 5 10.854 9.607 6.497 1.00 0.00 C ATOM 72 CE LYS A 5 11.466 8.477 5.650 1.00 0.00 C ATOM 73 NZ LYS A 5 12.199 9.000 4.467 1.00 0.00 N ATOM 0 H LYS A 5 6.176 7.456 5.883 1.00 0.00 H new ATOM 0 HA LYS A 5 8.671 6.642 7.308 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.809 8.485 5.528 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.785 9.437 6.585 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.464 9.780 8.140 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.131 8.172 7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.444 10.381 5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.626 10.078 7.106 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.146 7.890 6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.675 7.804 5.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.595 8.206 3.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.545 9.539 3.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.970 9.622 4.783 1.00 0.00 H new ATOM 87 N ALA A 6 7.647 7.432 9.531 1.00 0.00 N ATOM 88 CA ALA A 6 6.945 7.590 10.801 1.00 0.00 C ATOM 89 C ALA A 6 7.876 8.137 11.879 1.00 0.00 C ATOM 90 O ALA A 6 9.100 8.136 11.730 1.00 0.00 O ATOM 91 CB ALA A 6 6.365 6.237 11.236 1.00 0.00 C ATOM 0 H ALA A 6 8.628 7.173 9.631 1.00 0.00 H new ATOM 0 HA ALA A 6 6.135 8.307 10.665 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.841 6.354 12.184 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.668 5.879 10.478 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.174 5.516 11.355 1.00 0.00 H new ATOM 97 N THR A 7 7.266 8.549 12.986 1.00 0.00 N ATOM 98 CA THR A 7 7.908 8.946 14.227 1.00 0.00 C ATOM 99 C THR A 7 7.185 8.244 15.375 1.00 0.00 C ATOM 100 O THR A 7 6.102 7.686 15.176 1.00 0.00 O ATOM 101 CB THR A 7 7.838 10.474 14.404 1.00 0.00 C ATOM 102 OG1 THR A 7 6.531 10.954 14.129 1.00 0.00 O ATOM 103 CG2 THR A 7 8.824 11.204 13.486 1.00 0.00 C ATOM 0 H THR A 7 6.250 8.617 13.040 1.00 0.00 H new ATOM 0 HA THR A 7 8.960 8.662 14.214 1.00 0.00 H new ATOM 0 HB THR A 7 8.103 10.677 15.442 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.508 11.926 14.249 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.741 12.279 13.644 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.840 10.882 13.714 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.594 10.971 12.446 1.00 0.00 H new ATOM 111 N ASP A 8 7.732 8.318 16.589 1.00 0.00 N ATOM 112 CA ASP A 8 7.169 7.683 17.781 1.00 0.00 C ATOM 113 C ASP A 8 5.697 8.046 18.019 1.00 0.00 C ATOM 114 O ASP A 8 4.931 7.244 18.551 1.00 0.00 O ATOM 115 CB ASP A 8 7.979 8.073 19.022 1.00 0.00 C ATOM 116 CG ASP A 8 7.625 7.157 20.202 1.00 0.00 C ATOM 117 OD1 ASP A 8 7.973 5.953 20.143 1.00 0.00 O ATOM 118 OD2 ASP A 8 7.022 7.635 21.189 1.00 0.00 O ATOM 0 H ASP A 8 8.594 8.830 16.775 1.00 0.00 H new ATOM 0 HA ASP A 8 7.222 6.608 17.606 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.045 8.002 18.805 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.776 9.111 19.285 1.00 0.00 H new ATOM 123 N GLN A 9 5.302 9.250 17.587 1.00 0.00 N ATOM 124 CA GLN A 9 3.949 9.782 17.706 1.00 0.00 C ATOM 125 C GLN A 9 2.910 8.953 16.936 1.00 0.00 C ATOM 126 O GLN A 9 1.746 8.918 17.345 1.00 0.00 O ATOM 127 CB GLN A 9 3.926 11.227 17.182 1.00 0.00 C ATOM 128 CG GLN A 9 4.825 12.181 17.984 1.00 0.00 C ATOM 129 CD GLN A 9 4.732 13.611 17.447 1.00 0.00 C ATOM 130 OE1 GLN A 9 5.448 13.997 16.525 1.00 0.00 O ATOM 131 NE2 GLN A 9 3.850 14.432 17.998 1.00 0.00 N ATOM 0 H GLN A 9 5.942 9.899 17.130 1.00 0.00 H new ATOM 0 HA GLN A 9 3.679 9.741 18.761 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.242 11.232 16.139 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.901 11.598 17.207 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.532 12.164 19.034 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.858 11.838 17.936 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.259 14.106 18.763 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.762 15.390 17.658 1.00 0.00 H new ATOM 140 N SER A 10 3.314 8.292 15.847 1.00 0.00 N ATOM 141 CA SER A 10 2.399 7.655 14.895 1.00 0.00 C ATOM 142 C SER A 10 2.849 6.257 14.456 1.00 0.00 C ATOM 143 O SER A 10 2.095 5.567 13.770 1.00 0.00 O ATOM 144 CB SER A 10 2.228 8.570 13.672 1.00 0.00 C ATOM 145 OG SER A 10 1.874 9.893 14.055 1.00 0.00 O ATOM 0 H SER A 10 4.297 8.183 15.599 1.00 0.00 H new ATOM 0 HA SER A 10 1.446 7.516 15.406 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.156 8.592 13.100 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.459 8.162 13.016 1.00 0.00 H new ATOM 0 HG SER A 10 1.775 10.450 13.255 1.00 0.00 H new ATOM 151 N PHE A 11 4.041 5.808 14.860 1.00 0.00 N ATOM 152 CA PHE A 11 4.597 4.511 14.489 1.00 0.00 C ATOM 153 C PHE A 11 3.622 3.376 14.811 1.00 0.00 C ATOM 154 O PHE A 11 3.394 2.506 13.970 1.00 0.00 O ATOM 155 CB PHE A 11 5.940 4.326 15.208 1.00 0.00 C ATOM 156 CG PHE A 11 6.664 3.048 14.840 1.00 0.00 C ATOM 157 CD1 PHE A 11 7.383 2.979 13.633 1.00 0.00 C ATOM 158 CD2 PHE A 11 6.619 1.930 15.695 1.00 0.00 C ATOM 159 CE1 PHE A 11 8.059 1.801 13.281 1.00 0.00 C ATOM 160 CE2 PHE A 11 7.295 0.750 15.341 1.00 0.00 C ATOM 161 CZ PHE A 11 8.015 0.686 14.136 1.00 0.00 C ATOM 0 H PHE A 11 4.656 6.350 15.467 1.00 0.00 H new ATOM 0 HA PHE A 11 4.762 4.480 13.412 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.584 5.175 14.978 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.769 4.338 16.284 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.415 3.835 12.975 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.066 1.979 16.621 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.612 1.751 12.355 1.00 0.00 H new ATOM 0 HE2 PHE A 11 7.261 -0.108 15.996 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.535 -0.221 13.866 1.00 0.00 H new ATOM 171 N SER A 12 2.997 3.405 15.990 1.00 0.00 N ATOM 172 CA SER A 12 2.043 2.388 16.414 1.00 0.00 C ATOM 173 C SER A 12 0.811 2.344 15.504 1.00 0.00 C ATOM 174 O SER A 12 0.319 1.264 15.170 1.00 0.00 O ATOM 175 CB SER A 12 1.645 2.651 17.872 1.00 0.00 C ATOM 176 OG SER A 12 2.792 2.932 18.665 1.00 0.00 O ATOM 0 H SER A 12 3.143 4.142 16.680 1.00 0.00 H new ATOM 0 HA SER A 12 2.519 1.410 16.338 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.951 3.490 17.919 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.123 1.782 18.274 1.00 0.00 H new ATOM 0 HG SER A 12 2.517 3.099 19.591 1.00 0.00 H new ATOM 182 N ALA A 13 0.328 3.510 15.067 1.00 0.00 N ATOM 183 CA ALA A 13 -0.813 3.601 14.170 1.00 0.00 C ATOM 184 C ALA A 13 -0.453 3.017 12.807 1.00 0.00 C ATOM 185 O ALA A 13 -1.226 2.244 12.241 1.00 0.00 O ATOM 186 CB ALA A 13 -1.284 5.055 14.045 1.00 0.00 C ATOM 0 H ALA A 13 0.721 4.414 15.329 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.637 3.020 14.584 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.138 5.104 13.370 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.575 5.429 15.027 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.474 5.667 13.649 1.00 0.00 H new ATOM 192 N GLU A 14 0.735 3.348 12.294 1.00 0.00 N ATOM 193 CA GLU A 14 1.186 2.857 11.000 1.00 0.00 C ATOM 194 C GLU A 14 1.361 1.338 11.029 1.00 0.00 C ATOM 195 O GLU A 14 0.949 0.657 10.088 1.00 0.00 O ATOM 196 CB GLU A 14 2.492 3.547 10.560 1.00 0.00 C ATOM 197 CG GLU A 14 2.314 5.017 10.141 1.00 0.00 C ATOM 198 CD GLU A 14 1.296 5.228 9.001 1.00 0.00 C ATOM 199 OE1 GLU A 14 1.058 4.292 8.204 1.00 0.00 O ATOM 200 OE2 GLU A 14 0.725 6.339 8.904 1.00 0.00 O ATOM 0 H GLU A 14 1.403 3.959 12.764 1.00 0.00 H new ATOM 0 HA GLU A 14 0.418 3.102 10.267 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.210 3.498 11.378 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.921 2.992 9.726 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.997 5.595 11.009 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.280 5.414 9.829 1.00 0.00 H new ATOM 207 N THR A 15 1.922 0.801 12.113 1.00 0.00 N ATOM 208 CA THR A 15 2.223 -0.615 12.265 1.00 0.00 C ATOM 209 C THR A 15 1.005 -1.462 12.639 1.00 0.00 C ATOM 210 O THR A 15 1.114 -2.690 12.701 1.00 0.00 O ATOM 211 CB THR A 15 3.402 -0.788 13.233 1.00 0.00 C ATOM 212 OG1 THR A 15 3.188 -0.117 14.453 1.00 0.00 O ATOM 213 CG2 THR A 15 4.712 -0.272 12.624 1.00 0.00 C ATOM 0 H THR A 15 2.185 1.356 12.927 1.00 0.00 H new ATOM 0 HA THR A 15 2.520 -1.003 11.291 1.00 0.00 H new ATOM 0 HB THR A 15 3.478 -1.859 13.420 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.429 0.828 14.353 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.524 -0.411 13.337 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.932 -0.826 11.711 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.612 0.788 12.390 1.00 0.00 H new ATOM 221 N SER A 16 -0.157 -0.841 12.858 1.00 0.00 N ATOM 222 CA SER A 16 -1.374 -1.575 13.151 1.00 0.00 C ATOM 223 C SER A 16 -1.973 -2.250 11.914 1.00 0.00 C ATOM 224 O SER A 16 -2.748 -3.196 12.049 1.00 0.00 O ATOM 225 CB SER A 16 -2.395 -0.637 13.796 1.00 0.00 C ATOM 226 OG SER A 16 -1.953 -0.193 15.068 1.00 0.00 O ATOM 0 H SER A 16 -0.273 0.172 12.836 1.00 0.00 H new ATOM 0 HA SER A 16 -1.114 -2.375 13.844 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.564 0.222 13.147 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.350 -1.151 13.899 1.00 0.00 H new ATOM 0 HG SER A 16 -1.160 0.372 14.960 1.00 0.00 H new ATOM 232 N GLU A 17 -1.642 -1.786 10.709 1.00 0.00 N ATOM 233 CA GLU A 17 -2.320 -2.215 9.488 1.00 0.00 C ATOM 234 C GLU A 17 -1.669 -3.473 8.892 1.00 0.00 C ATOM 235 O GLU A 17 -1.012 -3.416 7.850 1.00 0.00 O ATOM 236 CB GLU A 17 -2.428 -1.047 8.492 1.00 0.00 C ATOM 237 CG GLU A 17 -3.283 0.104 9.045 1.00 0.00 C ATOM 238 CD GLU A 17 -3.571 1.163 7.968 1.00 0.00 C ATOM 239 OE1 GLU A 17 -2.619 1.835 7.515 1.00 0.00 O ATOM 240 OE2 GLU A 17 -4.750 1.338 7.579 1.00 0.00 O ATOM 0 H GLU A 17 -0.899 -1.105 10.553 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.340 -2.507 9.737 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.430 -0.677 8.258 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.862 -1.405 7.559 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.224 -0.292 9.427 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.768 0.569 9.885 1.00 0.00 H new ATOM 247 N GLY A 18 -1.860 -4.619 9.552 1.00 0.00 N ATOM 248 CA GLY A 18 -1.434 -5.920 9.052 1.00 0.00 C ATOM 249 C GLY A 18 0.027 -6.165 9.396 1.00 0.00 C ATOM 250 O GLY A 18 0.517 -5.662 10.409 1.00 0.00 O ATOM 0 H GLY A 18 -2.322 -4.665 10.460 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.053 -6.705 9.486 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.573 -5.965 7.972 1.00 0.00 H new ATOM 254 N VAL A 19 0.707 -6.976 8.585 1.00 0.00 N ATOM 255 CA VAL A 19 2.159 -7.115 8.658 1.00 0.00 C ATOM 256 C VAL A 19 2.757 -5.809 8.135 1.00 0.00 C ATOM 257 O VAL A 19 2.356 -5.307 7.081 1.00 0.00 O ATOM 258 CB VAL A 19 2.667 -8.328 7.845 1.00 0.00 C ATOM 259 CG1 VAL A 19 4.200 -8.474 7.921 1.00 0.00 C ATOM 260 CG2 VAL A 19 2.044 -9.634 8.363 1.00 0.00 C ATOM 0 H VAL A 19 0.269 -7.550 7.865 1.00 0.00 H new ATOM 0 HA VAL A 19 2.467 -7.300 9.687 1.00 0.00 H new ATOM 0 HB VAL A 19 2.372 -8.147 6.811 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.513 -9.339 7.336 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.671 -7.576 7.522 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.501 -8.611 8.960 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.417 -10.473 7.775 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.314 -9.776 9.410 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.959 -9.581 8.272 1.00 0.00 H new ATOM 270 N VAL A 20 3.744 -5.288 8.855 1.00 0.00 N ATOM 271 CA VAL A 20 4.455 -4.068 8.530 1.00 0.00 C ATOM 272 C VAL A 20 5.924 -4.349 8.837 1.00 0.00 C ATOM 273 O VAL A 20 6.237 -4.987 9.844 1.00 0.00 O ATOM 274 CB VAL A 20 3.870 -2.898 9.352 1.00 0.00 C ATOM 275 CG1 VAL A 20 4.571 -1.575 9.015 1.00 0.00 C ATOM 276 CG2 VAL A 20 2.358 -2.745 9.095 1.00 0.00 C ATOM 0 H VAL A 20 4.080 -5.725 9.713 1.00 0.00 H new ATOM 0 HA VAL A 20 4.354 -3.775 7.485 1.00 0.00 H new ATOM 0 HB VAL A 20 4.037 -3.132 10.404 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.137 -0.771 9.610 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.634 -1.659 9.240 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.441 -1.354 7.956 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.971 -1.915 9.685 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.187 -2.548 8.037 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.846 -3.664 9.381 1.00 0.00 H new ATOM 286 N LEU A 21 6.827 -3.891 7.973 1.00 0.00 N ATOM 287 CA LEU A 21 8.258 -4.125 8.105 1.00 0.00 C ATOM 288 C LEU A 21 8.890 -2.748 8.276 1.00 0.00 C ATOM 289 O LEU A 21 8.942 -1.939 7.351 1.00 0.00 O ATOM 290 CB LEU A 21 8.758 -4.944 6.903 1.00 0.00 C ATOM 291 CG LEU A 21 10.161 -5.557 7.070 1.00 0.00 C ATOM 292 CD1 LEU A 21 10.536 -6.303 5.782 1.00 0.00 C ATOM 293 CD2 LEU A 21 11.260 -4.548 7.406 1.00 0.00 C ATOM 0 H LEU A 21 6.579 -3.340 7.151 1.00 0.00 H new ATOM 0 HA LEU A 21 8.535 -4.729 8.969 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.048 -5.748 6.710 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.761 -4.303 6.022 1.00 0.00 H new ATOM 0 HG LEU A 21 10.100 -6.229 7.926 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.528 -6.741 5.891 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.809 -7.094 5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.537 -5.605 4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.213 -5.068 7.505 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.331 -3.809 6.608 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.020 -4.048 8.344 1.00 0.00 H new ATOM 305 N ALA A 22 9.274 -2.443 9.506 1.00 0.00 N ATOM 306 CA ALA A 22 9.840 -1.164 9.869 1.00 0.00 C ATOM 307 C ALA A 22 11.352 -1.227 9.692 1.00 0.00 C ATOM 308 O ALA A 22 11.964 -2.261 9.955 1.00 0.00 O ATOM 309 CB ALA A 22 9.489 -0.842 11.317 1.00 0.00 C ATOM 0 H ALA A 22 9.198 -3.092 10.289 1.00 0.00 H new ATOM 0 HA ALA A 22 9.434 -0.380 9.230 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.917 0.123 11.589 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.405 -0.803 11.429 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.894 -1.615 11.970 1.00 0.00 H new ATOM 315 N ASP A 23 11.948 -0.100 9.317 1.00 0.00 N ATOM 316 CA ASP A 23 13.362 0.046 9.004 1.00 0.00 C ATOM 317 C ASP A 23 13.895 1.201 9.841 1.00 0.00 C ATOM 318 O ASP A 23 13.731 2.377 9.505 1.00 0.00 O ATOM 319 CB ASP A 23 13.560 0.274 7.502 1.00 0.00 C ATOM 320 CG ASP A 23 14.992 0.730 7.187 1.00 0.00 C ATOM 321 OD1 ASP A 23 15.948 0.065 7.646 1.00 0.00 O ATOM 322 OD2 ASP A 23 15.147 1.730 6.450 1.00 0.00 O ATOM 0 H ASP A 23 11.434 0.775 9.219 1.00 0.00 H new ATOM 0 HA ASP A 23 13.915 -0.861 9.246 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.343 -0.647 6.961 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.852 1.025 7.150 1.00 0.00 H new ATOM 327 N PHE A 24 14.444 0.846 10.997 1.00 0.00 N ATOM 328 CA PHE A 24 15.110 1.751 11.909 1.00 0.00 C ATOM 329 C PHE A 24 16.453 2.066 11.268 1.00 0.00 C ATOM 330 O PHE A 24 17.296 1.172 11.104 1.00 0.00 O ATOM 331 CB PHE A 24 15.243 1.113 13.301 1.00 0.00 C ATOM 332 CG PHE A 24 13.919 1.027 14.045 1.00 0.00 C ATOM 333 CD1 PHE A 24 12.906 0.154 13.600 1.00 0.00 C ATOM 334 CD2 PHE A 24 13.667 1.875 15.141 1.00 0.00 C ATOM 335 CE1 PHE A 24 11.638 0.181 14.202 1.00 0.00 C ATOM 336 CE2 PHE A 24 12.397 1.900 15.739 1.00 0.00 C ATOM 337 CZ PHE A 24 11.373 1.073 15.251 1.00 0.00 C ATOM 0 H PHE A 24 14.434 -0.117 11.332 1.00 0.00 H new ATOM 0 HA PHE A 24 14.548 2.671 12.070 1.00 0.00 H new ATOM 0 HB2 PHE A 24 15.661 0.112 13.197 1.00 0.00 H new ATOM 0 HB3 PHE A 24 15.950 1.693 13.894 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.106 -0.537 12.794 1.00 0.00 H new ATOM 0 HD2 PHE A 24 14.454 2.509 15.523 1.00 0.00 H new ATOM 0 HE1 PHE A 24 10.864 -0.488 13.856 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.208 2.556 16.576 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.384 1.124 15.682 1.00 0.00 H new ATOM 347 N TRP A 25 16.613 3.323 10.860 1.00 0.00 N ATOM 348 CA TRP A 25 17.739 3.807 10.079 1.00 0.00 C ATOM 349 C TRP A 25 17.980 5.274 10.450 1.00 0.00 C ATOM 350 O TRP A 25 17.344 5.785 11.369 1.00 0.00 O ATOM 351 CB TRP A 25 17.464 3.558 8.573 1.00 0.00 C ATOM 352 CG TRP A 25 17.306 4.743 7.661 1.00 0.00 C ATOM 353 CD1 TRP A 25 18.224 5.174 6.765 1.00 0.00 C ATOM 354 CD2 TRP A 25 16.240 5.743 7.631 1.00 0.00 C ATOM 355 NE1 TRP A 25 17.761 6.309 6.134 1.00 0.00 N ATOM 356 CE2 TRP A 25 16.590 6.758 6.693 1.00 0.00 C ATOM 357 CE3 TRP A 25 15.044 5.929 8.348 1.00 0.00 C ATOM 358 CZ2 TRP A 25 15.818 7.912 6.502 1.00 0.00 C ATOM 359 CZ3 TRP A 25 14.255 7.084 8.167 1.00 0.00 C ATOM 360 CH2 TRP A 25 14.653 8.085 7.264 1.00 0.00 C ATOM 0 H TRP A 25 15.936 4.055 11.074 1.00 0.00 H new ATOM 0 HA TRP A 25 18.661 3.269 10.301 1.00 0.00 H new ATOM 0 HB2 TRP A 25 18.280 2.949 8.185 1.00 0.00 H new ATOM 0 HB3 TRP A 25 16.556 2.960 8.498 1.00 0.00 H new ATOM 0 HD1 TRP A 25 19.176 4.700 6.573 1.00 0.00 H new ATOM 0 HE1 TRP A 25 18.231 6.760 5.349 1.00 0.00 H new ATOM 0 HE3 TRP A 25 14.724 5.173 9.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 16.116 8.657 5.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 13.338 7.200 8.726 1.00 0.00 H new ATOM 0 HH2 TRP A 25 14.064 8.984 7.157 1.00 0.00 H new ATOM 371 N ALA A 26 18.906 5.950 9.775 1.00 0.00 N ATOM 372 CA ALA A 26 19.063 7.394 9.823 1.00 0.00 C ATOM 373 C ALA A 26 19.689 7.790 8.486 1.00 0.00 C ATOM 374 O ALA A 26 20.484 7.011 7.955 1.00 0.00 O ATOM 375 CB ALA A 26 19.971 7.800 10.990 1.00 0.00 C ATOM 0 H ALA A 26 19.584 5.493 9.165 1.00 0.00 H new ATOM 0 HA ALA A 26 18.108 7.896 9.980 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.076 8.885 11.009 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.531 7.462 11.928 1.00 0.00 H new ATOM 0 HB3 ALA A 26 20.952 7.343 10.864 1.00 0.00 H new ATOM 381 N PRO A 27 19.426 8.978 7.923 1.00 0.00 N ATOM 382 CA PRO A 27 20.055 9.370 6.668 1.00 0.00 C ATOM 383 C PRO A 27 21.565 9.609 6.807 1.00 0.00 C ATOM 384 O PRO A 27 22.263 9.670 5.796 1.00 0.00 O ATOM 385 CB PRO A 27 19.292 10.602 6.191 1.00 0.00 C ATOM 386 CG PRO A 27 18.730 11.205 7.481 1.00 0.00 C ATOM 387 CD PRO A 27 18.501 9.996 8.391 1.00 0.00 C ATOM 0 HA PRO A 27 19.995 8.569 5.931 1.00 0.00 H new ATOM 0 HB2 PRO A 27 19.947 11.303 5.674 1.00 0.00 H new ATOM 0 HB3 PRO A 27 18.497 10.336 5.494 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.429 11.913 7.927 1.00 0.00 H new ATOM 0 HG3 PRO A 27 17.802 11.746 7.297 1.00 0.00 H new ATOM 0 HD2 PRO A 27 18.690 10.249 9.434 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.470 9.648 8.329 1.00 0.00 H new ATOM 395 N TRP A 28 22.095 9.682 8.031 1.00 0.00 N ATOM 396 CA TRP A 28 23.532 9.744 8.292 1.00 0.00 C ATOM 397 C TRP A 28 24.201 8.363 8.145 1.00 0.00 C ATOM 398 O TRP A 28 25.430 8.272 8.141 1.00 0.00 O ATOM 399 CB TRP A 28 23.789 10.353 9.680 1.00 0.00 C ATOM 400 CG TRP A 28 22.677 11.215 10.203 1.00 0.00 C ATOM 401 CD1 TRP A 28 21.848 10.845 11.195 1.00 0.00 C ATOM 402 CD2 TRP A 28 22.159 12.487 9.707 1.00 0.00 C ATOM 403 NE1 TRP A 28 20.836 11.769 11.339 1.00 0.00 N ATOM 404 CE2 TRP A 28 20.980 12.812 10.448 1.00 0.00 C ATOM 405 CE3 TRP A 28 22.539 13.381 8.682 1.00 0.00 C ATOM 406 CZ2 TRP A 28 20.225 13.965 10.186 1.00 0.00 C ATOM 407 CZ3 TRP A 28 21.790 14.543 8.415 1.00 0.00 C ATOM 408 CH2 TRP A 28 20.637 14.837 9.164 1.00 0.00 C ATOM 0 H TRP A 28 21.528 9.700 8.879 1.00 0.00 H new ATOM 0 HA TRP A 28 23.987 10.391 7.542 1.00 0.00 H new ATOM 0 HB2 TRP A 28 23.968 9.545 10.389 1.00 0.00 H new ATOM 0 HB3 TRP A 28 24.702 10.947 9.638 1.00 0.00 H new ATOM 0 HD1 TRP A 28 21.959 9.952 11.793 1.00 0.00 H new ATOM 0 HE1 TRP A 28 20.078 11.692 12.017 1.00 0.00 H new ATOM 0 HE3 TRP A 28 23.419 13.170 8.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 19.338 14.180 10.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 22.104 15.214 7.629 1.00 0.00 H new ATOM 0 HH2 TRP A 28 20.069 15.731 8.954 1.00 0.00 H new ATOM 419 N CYS A 29 23.402 7.289 8.064 1.00 0.00 N ATOM 420 CA CYS A 29 23.854 5.909 7.948 1.00 0.00 C ATOM 421 C CYS A 29 24.598 5.687 6.621 1.00 0.00 C ATOM 422 O CYS A 29 24.387 6.419 5.651 1.00 0.00 O ATOM 423 CB CYS A 29 22.626 4.988 8.044 1.00 0.00 C ATOM 424 SG CYS A 29 22.948 3.223 8.274 1.00 0.00 S ATOM 0 H CYS A 29 22.385 7.369 8.079 1.00 0.00 H new ATOM 0 HA CYS A 29 24.552 5.681 8.754 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.007 5.332 8.873 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.037 5.111 7.135 1.00 0.00 H new ATOM 429 N GLY A 30 25.390 4.616 6.550 1.00 0.00 N ATOM 430 CA GLY A 30 26.035 4.140 5.326 1.00 0.00 C ATOM 431 C GLY A 30 25.510 2.758 4.929 1.00 0.00 C ATOM 432 O GLY A 30 24.921 2.637 3.855 1.00 0.00 O ATOM 0 H GLY A 30 25.606 4.041 7.364 1.00 0.00 H new ATOM 0 HA2 GLY A 30 25.854 4.848 4.517 1.00 0.00 H new ATOM 0 HA3 GLY A 30 27.114 4.094 5.474 1.00 0.00 H new ATOM 436 N PRO A 31 25.614 1.720 5.783 1.00 0.00 N ATOM 437 CA PRO A 31 25.105 0.377 5.490 1.00 0.00 C ATOM 438 C PRO A 31 23.613 0.354 5.145 1.00 0.00 C ATOM 439 O PRO A 31 23.191 -0.416 4.285 1.00 0.00 O ATOM 440 CB PRO A 31 25.410 -0.462 6.738 1.00 0.00 C ATOM 441 CG PRO A 31 26.589 0.262 7.383 1.00 0.00 C ATOM 442 CD PRO A 31 26.312 1.728 7.057 1.00 0.00 C ATOM 0 HA PRO A 31 25.589 -0.024 4.599 1.00 0.00 H new ATOM 0 HB2 PRO A 31 24.552 -0.507 7.409 1.00 0.00 H new ATOM 0 HB3 PRO A 31 25.665 -1.489 6.477 1.00 0.00 H new ATOM 0 HG2 PRO A 31 26.630 0.088 8.458 1.00 0.00 H new ATOM 0 HG3 PRO A 31 27.541 -0.070 6.970 1.00 0.00 H new ATOM 0 HD2 PRO A 31 25.705 2.194 7.833 1.00 0.00 H new ATOM 0 HD3 PRO A 31 27.239 2.297 6.992 1.00 0.00 H new ATOM 450 N CYS A 32 22.812 1.236 5.753 1.00 0.00 N ATOM 451 CA CYS A 32 21.388 1.364 5.451 1.00 0.00 C ATOM 452 C CYS A 32 21.153 1.690 3.971 1.00 0.00 C ATOM 453 O CYS A 32 20.177 1.235 3.379 1.00 0.00 O ATOM 454 CB CYS A 32 20.748 2.458 6.315 1.00 0.00 C ATOM 455 SG CYS A 32 21.089 2.419 8.100 1.00 0.00 S ATOM 0 H CYS A 32 23.138 1.883 6.471 1.00 0.00 H new ATOM 0 HA CYS A 32 20.925 0.403 5.675 1.00 0.00 H new ATOM 0 HB2 CYS A 32 21.074 3.425 5.931 1.00 0.00 H new ATOM 0 HB3 CYS A 32 19.668 2.408 6.177 1.00 0.00 H new ATOM 460 N LYS A 33 22.056 2.454 3.346 1.00 0.00 N ATOM 461 CA LYS A 33 21.939 2.837 1.944 1.00 0.00 C ATOM 462 C LYS A 33 22.122 1.626 1.025 1.00 0.00 C ATOM 463 O LYS A 33 21.648 1.663 -0.106 1.00 0.00 O ATOM 464 CB LYS A 33 22.950 3.947 1.591 1.00 0.00 C ATOM 465 CG LYS A 33 23.034 5.114 2.594 1.00 0.00 C ATOM 466 CD LYS A 33 21.718 5.885 2.798 1.00 0.00 C ATOM 467 CE LYS A 33 21.820 6.899 3.954 1.00 0.00 C ATOM 468 NZ LYS A 33 22.902 7.894 3.753 1.00 0.00 N ATOM 0 H LYS A 33 22.889 2.823 3.804 1.00 0.00 H new ATOM 0 HA LYS A 33 20.934 3.229 1.788 1.00 0.00 H new ATOM 0 HB2 LYS A 33 23.939 3.498 1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 33 22.692 4.351 0.612 1.00 0.00 H new ATOM 0 HG2 LYS A 33 23.363 4.724 3.557 1.00 0.00 H new ATOM 0 HG3 LYS A 33 23.799 5.812 2.254 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.457 6.408 1.878 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.912 5.180 3.003 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.868 7.420 4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.994 6.363 4.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.697 8.747 4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.808 7.488 4.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 22.960 8.145 2.745 1.00 0.00 H new ATOM 482 N MET A 34 22.780 0.557 1.492 1.00 0.00 N ATOM 483 CA MET A 34 22.921 -0.678 0.734 1.00 0.00 C ATOM 484 C MET A 34 21.576 -1.397 0.637 1.00 0.00 C ATOM 485 O MET A 34 21.221 -1.885 -0.433 1.00 0.00 O ATOM 486 CB MET A 34 23.965 -1.613 1.369 1.00 0.00 C ATOM 487 CG MET A 34 25.340 -0.963 1.566 1.00 0.00 C ATOM 488 SD MET A 34 26.665 -2.098 2.083 1.00 0.00 S ATOM 489 CE MET A 34 25.889 -2.961 3.482 1.00 0.00 C ATOM 0 H MET A 34 23.228 0.531 2.408 1.00 0.00 H new ATOM 0 HA MET A 34 23.264 -0.414 -0.266 1.00 0.00 H new ATOM 0 HB2 MET A 34 23.593 -1.954 2.335 1.00 0.00 H new ATOM 0 HB3 MET A 34 24.078 -2.496 0.741 1.00 0.00 H new ATOM 0 HG2 MET A 34 25.636 -0.486 0.632 1.00 0.00 H new ATOM 0 HG3 MET A 34 25.248 -0.174 2.312 1.00 0.00 H new ATOM 0 HE1 MET A 34 26.659 -3.286 4.181 1.00 0.00 H new ATOM 0 HE2 MET A 34 25.200 -2.286 3.989 1.00 0.00 H new ATOM 0 HE3 MET A 34 25.342 -3.830 3.115 1.00 0.00 H new ATOM 499 N ILE A 35 20.821 -1.463 1.743 1.00 0.00 N ATOM 500 CA ILE A 35 19.552 -2.184 1.795 1.00 0.00 C ATOM 501 C ILE A 35 18.384 -1.315 1.302 1.00 0.00 C ATOM 502 O ILE A 35 17.405 -1.873 0.824 1.00 0.00 O ATOM 503 CB ILE A 35 19.332 -2.832 3.187 1.00 0.00 C ATOM 504 CG1 ILE A 35 18.167 -3.848 3.146 1.00 0.00 C ATOM 505 CG2 ILE A 35 19.169 -1.789 4.304 1.00 0.00 C ATOM 506 CD1 ILE A 35 18.004 -4.681 4.424 1.00 0.00 C ATOM 0 H ILE A 35 21.077 -1.017 2.624 1.00 0.00 H new ATOM 0 HA ILE A 35 19.595 -3.016 1.093 1.00 0.00 H new ATOM 0 HB ILE A 35 20.237 -3.386 3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 35 17.238 -3.309 2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 35 18.320 -4.523 2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 35 19.018 -2.297 5.257 1.00 0.00 H new ATOM 0 HG22 ILE A 35 20.066 -1.172 4.360 1.00 0.00 H new ATOM 0 HG23 ILE A 35 18.307 -1.157 4.089 1.00 0.00 H new ATOM 0 HD11 ILE A 35 17.164 -5.366 4.307 1.00 0.00 H new ATOM 0 HD12 ILE A 35 18.915 -5.251 4.605 1.00 0.00 H new ATOM 0 HD13 ILE A 35 17.817 -4.018 5.269 1.00 0.00 H new ATOM 518 N ALA A 36 18.469 0.020 1.342 1.00 0.00 N ATOM 519 CA ALA A 36 17.403 0.911 0.870 1.00 0.00 C ATOM 520 C ALA A 36 16.856 0.569 -0.538 1.00 0.00 C ATOM 521 O ALA A 36 15.638 0.414 -0.667 1.00 0.00 O ATOM 522 CB ALA A 36 17.864 2.371 0.970 1.00 0.00 C ATOM 0 H ALA A 36 19.284 0.515 1.705 1.00 0.00 H new ATOM 0 HA ALA A 36 16.550 0.755 1.531 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.069 3.028 0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 36 18.099 2.608 2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.752 2.515 0.355 1.00 0.00 H new ATOM 528 N PRO A 37 17.680 0.378 -1.591 1.00 0.00 N ATOM 529 CA PRO A 37 17.155 -0.019 -2.894 1.00 0.00 C ATOM 530 C PRO A 37 16.548 -1.423 -2.855 1.00 0.00 C ATOM 531 O PRO A 37 15.585 -1.694 -3.570 1.00 0.00 O ATOM 532 CB PRO A 37 18.324 0.085 -3.877 1.00 0.00 C ATOM 533 CG PRO A 37 19.556 -0.065 -2.988 1.00 0.00 C ATOM 534 CD PRO A 37 19.117 0.589 -1.680 1.00 0.00 C ATOM 0 HA PRO A 37 16.337 0.631 -3.205 1.00 0.00 H new ATOM 0 HB2 PRO A 37 18.280 -0.696 -4.636 1.00 0.00 H new ATOM 0 HB3 PRO A 37 18.322 1.040 -4.402 1.00 0.00 H new ATOM 0 HG2 PRO A 37 19.826 -1.111 -2.845 1.00 0.00 H new ATOM 0 HG3 PRO A 37 20.426 0.433 -3.416 1.00 0.00 H new ATOM 0 HD2 PRO A 37 19.631 0.143 -0.829 1.00 0.00 H new ATOM 0 HD3 PRO A 37 19.357 1.652 -1.675 1.00 0.00 H new ATOM 542 N VAL A 38 17.060 -2.312 -2.001 1.00 0.00 N ATOM 543 CA VAL A 38 16.475 -3.626 -1.801 1.00 0.00 C ATOM 544 C VAL A 38 15.089 -3.476 -1.161 1.00 0.00 C ATOM 545 O VAL A 38 14.175 -4.171 -1.586 1.00 0.00 O ATOM 546 CB VAL A 38 17.400 -4.558 -0.987 1.00 0.00 C ATOM 547 CG1 VAL A 38 16.936 -6.009 -1.158 1.00 0.00 C ATOM 548 CG2 VAL A 38 18.870 -4.485 -1.434 1.00 0.00 C ATOM 0 H VAL A 38 17.889 -2.136 -1.434 1.00 0.00 H new ATOM 0 HA VAL A 38 16.357 -4.107 -2.772 1.00 0.00 H new ATOM 0 HB VAL A 38 17.339 -4.228 0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.587 -6.669 -0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.912 -6.108 -0.799 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.979 -6.283 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.469 -5.162 -0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 38 18.947 -4.776 -2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.237 -3.466 -1.312 1.00 0.00 H new ATOM 558 N LEU A 39 14.890 -2.558 -0.205 1.00 0.00 N ATOM 559 CA LEU A 39 13.573 -2.267 0.356 1.00 0.00 C ATOM 560 C LEU A 39 12.634 -1.728 -0.715 1.00 0.00 C ATOM 561 O LEU A 39 11.461 -2.085 -0.697 1.00 0.00 O ATOM 562 CB LEU A 39 13.630 -1.270 1.529 1.00 0.00 C ATOM 563 CG LEU A 39 14.343 -1.789 2.786 1.00 0.00 C ATOM 564 CD1 LEU A 39 14.422 -0.667 3.828 1.00 0.00 C ATOM 565 CD2 LEU A 39 13.633 -3.006 3.397 1.00 0.00 C ATOM 0 H LEU A 39 15.641 -1.998 0.198 1.00 0.00 H new ATOM 0 HA LEU A 39 13.193 -3.213 0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.133 -0.364 1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.612 -0.988 1.797 1.00 0.00 H new ATOM 0 HG LEU A 39 15.343 -2.106 2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.928 -1.035 4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 39 14.979 0.174 3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.415 -0.342 4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 39 14.175 -3.336 4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.615 -2.732 3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.604 -3.815 2.667 1.00 0.00 H new ATOM 577 N GLU A 40 13.112 -0.905 -1.653 1.00 0.00 N ATOM 578 CA GLU A 40 12.276 -0.472 -2.769 1.00 0.00 C ATOM 579 C GLU A 40 11.858 -1.666 -3.638 1.00 0.00 C ATOM 580 O GLU A 40 10.690 -1.799 -4.008 1.00 0.00 O ATOM 581 CB GLU A 40 12.965 0.618 -3.605 1.00 0.00 C ATOM 582 CG GLU A 40 13.083 1.945 -2.841 1.00 0.00 C ATOM 583 CD GLU A 40 13.697 3.050 -3.718 1.00 0.00 C ATOM 584 OE1 GLU A 40 12.947 3.745 -4.440 1.00 0.00 O ATOM 585 OE2 GLU A 40 14.931 3.253 -3.683 1.00 0.00 O ATOM 0 H GLU A 40 14.061 -0.531 -1.660 1.00 0.00 H new ATOM 0 HA GLU A 40 11.371 -0.031 -2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.959 0.278 -3.895 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.402 0.779 -4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.096 2.257 -2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.698 1.801 -1.953 1.00 0.00 H new ATOM 592 N GLU A 41 12.786 -2.559 -3.970 1.00 0.00 N ATOM 593 CA GLU A 41 12.467 -3.741 -4.765 1.00 0.00 C ATOM 594 C GLU A 41 11.522 -4.677 -3.997 1.00 0.00 C ATOM 595 O GLU A 41 10.604 -5.240 -4.587 1.00 0.00 O ATOM 596 CB GLU A 41 13.748 -4.459 -5.218 1.00 0.00 C ATOM 597 CG GLU A 41 14.581 -3.656 -6.233 1.00 0.00 C ATOM 598 CD GLU A 41 13.824 -3.355 -7.541 1.00 0.00 C ATOM 599 OE1 GLU A 41 13.598 -4.290 -8.342 1.00 0.00 O ATOM 600 OE2 GLU A 41 13.470 -2.179 -7.785 1.00 0.00 O ATOM 0 H GLU A 41 13.767 -2.486 -3.700 1.00 0.00 H new ATOM 0 HA GLU A 41 11.943 -3.421 -5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.363 -4.672 -4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.479 -5.418 -5.660 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.890 -2.716 -5.776 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.490 -4.211 -6.467 1.00 0.00 H new ATOM 607 N LEU A 42 11.704 -4.800 -2.682 1.00 0.00 N ATOM 608 CA LEU A 42 10.856 -5.578 -1.786 1.00 0.00 C ATOM 609 C LEU A 42 9.450 -4.973 -1.764 1.00 0.00 C ATOM 610 O LEU A 42 8.464 -5.701 -1.878 1.00 0.00 O ATOM 611 CB LEU A 42 11.527 -5.613 -0.393 1.00 0.00 C ATOM 612 CG LEU A 42 11.002 -6.605 0.657 1.00 0.00 C ATOM 613 CD1 LEU A 42 9.692 -6.188 1.322 1.00 0.00 C ATOM 614 CD2 LEU A 42 10.872 -8.027 0.112 1.00 0.00 C ATOM 0 H LEU A 42 12.475 -4.343 -2.196 1.00 0.00 H new ATOM 0 HA LEU A 42 10.746 -6.607 -2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.587 -5.820 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.455 -4.612 0.033 1.00 0.00 H new ATOM 0 HG LEU A 42 11.771 -6.590 1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.395 -6.945 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.829 -5.233 1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.915 -6.088 0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.497 -8.684 0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.178 -8.033 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.848 -8.380 -0.221 1.00 0.00 H new ATOM 626 N ASP A 43 9.340 -3.644 -1.699 1.00 0.00 N ATOM 627 CA ASP A 43 8.070 -2.928 -1.755 1.00 0.00 C ATOM 628 C ASP A 43 7.321 -3.236 -3.043 1.00 0.00 C ATOM 629 O ASP A 43 6.123 -3.504 -3.026 1.00 0.00 O ATOM 630 CB ASP A 43 8.283 -1.412 -1.689 1.00 0.00 C ATOM 631 CG ASP A 43 6.934 -0.704 -1.521 1.00 0.00 C ATOM 632 OD1 ASP A 43 6.265 -0.943 -0.492 1.00 0.00 O ATOM 633 OD2 ASP A 43 6.570 0.107 -2.401 1.00 0.00 O ATOM 0 H ASP A 43 10.147 -3.027 -1.604 1.00 0.00 H new ATOM 0 HA ASP A 43 7.489 -3.261 -0.895 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.940 -1.164 -0.856 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.775 -1.065 -2.597 1.00 0.00 H new ATOM 638 N GLN A 44 8.041 -3.246 -4.163 1.00 0.00 N ATOM 639 CA GLN A 44 7.458 -3.504 -5.473 1.00 0.00 C ATOM 640 C GLN A 44 7.016 -4.970 -5.642 1.00 0.00 C ATOM 641 O GLN A 44 6.278 -5.278 -6.580 1.00 0.00 O ATOM 642 CB GLN A 44 8.453 -3.079 -6.558 1.00 0.00 C ATOM 643 CG GLN A 44 8.656 -1.553 -6.588 1.00 0.00 C ATOM 644 CD GLN A 44 9.891 -1.219 -7.424 1.00 0.00 C ATOM 645 OE1 GLN A 44 9.824 -1.030 -8.638 1.00 0.00 O ATOM 646 NE2 GLN A 44 11.046 -1.196 -6.788 1.00 0.00 N ATOM 0 H GLN A 44 9.046 -3.075 -4.185 1.00 0.00 H new ATOM 0 HA GLN A 44 6.549 -2.911 -5.570 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.411 -3.569 -6.383 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.095 -3.416 -7.531 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.776 -1.067 -7.009 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.776 -1.171 -5.574 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.077 -1.355 -5.781 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.908 -1.019 -7.303 1.00 0.00 H new ATOM 655 N GLU A 45 7.427 -5.871 -4.744 1.00 0.00 N ATOM 656 CA GLU A 45 7.105 -7.292 -4.771 1.00 0.00 C ATOM 657 C GLU A 45 6.006 -7.626 -3.763 1.00 0.00 C ATOM 658 O GLU A 45 5.169 -8.485 -4.047 1.00 0.00 O ATOM 659 CB GLU A 45 8.377 -8.101 -4.467 1.00 0.00 C ATOM 660 CG GLU A 45 9.354 -8.130 -5.650 1.00 0.00 C ATOM 661 CD GLU A 45 8.846 -8.999 -6.816 1.00 0.00 C ATOM 662 OE1 GLU A 45 8.997 -10.240 -6.767 1.00 0.00 O ATOM 663 OE2 GLU A 45 8.310 -8.451 -7.805 1.00 0.00 O ATOM 0 H GLU A 45 8.015 -5.616 -3.951 1.00 0.00 H new ATOM 0 HA GLU A 45 6.733 -7.553 -5.762 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.877 -7.673 -3.598 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.100 -9.122 -4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.519 -7.113 -6.005 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.318 -8.510 -5.311 1.00 0.00 H new ATOM 670 N MET A 46 5.966 -6.926 -2.624 1.00 0.00 N ATOM 671 CA MET A 46 5.129 -7.300 -1.486 1.00 0.00 C ATOM 672 C MET A 46 4.110 -6.225 -1.122 1.00 0.00 C ATOM 673 O MET A 46 3.264 -6.482 -0.271 1.00 0.00 O ATOM 674 CB MET A 46 6.014 -7.640 -0.274 1.00 0.00 C ATOM 675 CG MET A 46 7.100 -8.687 -0.587 1.00 0.00 C ATOM 676 SD MET A 46 6.510 -10.234 -1.332 1.00 0.00 S ATOM 677 CE MET A 46 5.853 -11.059 0.134 1.00 0.00 C ATOM 0 H MET A 46 6.516 -6.082 -2.468 1.00 0.00 H new ATOM 0 HA MET A 46 4.558 -8.180 -1.781 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.491 -6.728 0.086 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.384 -8.011 0.535 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.830 -8.237 -1.260 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.624 -8.927 0.338 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.448 -12.031 -0.147 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.652 -11.195 0.863 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.063 -10.449 0.571 1.00 0.00 H new ATOM 687 N GLY A 47 4.138 -5.050 -1.754 1.00 0.00 N ATOM 688 CA GLY A 47 3.303 -3.898 -1.405 1.00 0.00 C ATOM 689 C GLY A 47 1.793 -4.117 -1.522 1.00 0.00 C ATOM 690 O GLY A 47 1.013 -3.258 -1.108 1.00 0.00 O ATOM 0 H GLY A 47 4.758 -4.868 -2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.531 -3.603 -0.381 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.582 -3.062 -2.047 1.00 0.00 H new ATOM 694 N ASP A 48 1.350 -5.247 -2.074 1.00 0.00 N ATOM 695 CA ASP A 48 -0.057 -5.642 -2.075 1.00 0.00 C ATOM 696 C ASP A 48 -0.495 -6.154 -0.696 1.00 0.00 C ATOM 697 O ASP A 48 -1.668 -6.045 -0.338 1.00 0.00 O ATOM 698 CB ASP A 48 -0.315 -6.718 -3.135 1.00 0.00 C ATOM 699 CG ASP A 48 -1.818 -7.031 -3.250 1.00 0.00 C ATOM 700 OD1 ASP A 48 -2.580 -6.169 -3.743 1.00 0.00 O ATOM 701 OD2 ASP A 48 -2.236 -8.152 -2.885 1.00 0.00 O ATOM 0 H ASP A 48 1.963 -5.918 -2.536 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.646 -4.757 -2.315 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.065 -6.381 -4.100 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.230 -7.626 -2.877 1.00 0.00 H new ATOM 706 N LYS A 49 0.450 -6.681 0.094 1.00 0.00 N ATOM 707 CA LYS A 49 0.220 -7.286 1.409 1.00 0.00 C ATOM 708 C LYS A 49 0.956 -6.529 2.516 1.00 0.00 C ATOM 709 O LYS A 49 0.546 -6.607 3.674 1.00 0.00 O ATOM 710 CB LYS A 49 0.722 -8.747 1.426 1.00 0.00 C ATOM 711 CG LYS A 49 0.248 -9.669 0.290 1.00 0.00 C ATOM 712 CD LYS A 49 -1.276 -9.735 0.136 1.00 0.00 C ATOM 713 CE LYS A 49 -1.635 -10.772 -0.937 1.00 0.00 C ATOM 714 NZ LYS A 49 -2.943 -10.486 -1.568 1.00 0.00 N ATOM 0 H LYS A 49 1.433 -6.697 -0.178 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.854 -7.244 1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.812 -8.729 1.414 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.421 -9.196 2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.683 -9.326 -0.648 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.629 -10.675 0.469 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.737 -10.004 1.086 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.667 -8.757 -0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.859 -10.786 -1.702 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.658 -11.765 -0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.283 -11.335 -2.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.630 -10.214 -0.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.837 -9.707 -2.249 1.00 0.00 H new ATOM 728 N LEU A 50 2.033 -5.814 2.178 1.00 0.00 N ATOM 729 CA LEU A 50 2.980 -5.254 3.131 1.00 0.00 C ATOM 730 C LEU A 50 3.000 -3.727 3.090 1.00 0.00 C ATOM 731 O LEU A 50 2.765 -3.119 2.047 1.00 0.00 O ATOM 732 CB LEU A 50 4.371 -5.804 2.751 1.00 0.00 C ATOM 733 CG LEU A 50 5.525 -5.420 3.693 1.00 0.00 C ATOM 734 CD1 LEU A 50 5.328 -6.027 5.085 1.00 0.00 C ATOM 735 CD2 LEU A 50 6.846 -5.885 3.087 1.00 0.00 C ATOM 0 H LEU A 50 2.271 -5.607 1.208 1.00 0.00 H new ATOM 0 HA LEU A 50 2.692 -5.536 4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.311 -6.891 2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.616 -5.457 1.747 1.00 0.00 H new ATOM 0 HG LEU A 50 5.540 -4.336 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.159 -5.738 5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.394 -5.662 5.512 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.290 -7.113 5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.666 -5.615 3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.826 -6.967 2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.991 -5.406 2.119 1.00 0.00 H new ATOM 747 N LYS A 51 3.362 -3.120 4.222 1.00 0.00 N ATOM 748 CA LYS A 51 3.721 -1.711 4.350 1.00 0.00 C ATOM 749 C LYS A 51 5.158 -1.715 4.856 1.00 0.00 C ATOM 750 O LYS A 51 5.490 -2.547 5.706 1.00 0.00 O ATOM 751 CB LYS A 51 2.779 -1.018 5.351 1.00 0.00 C ATOM 752 CG LYS A 51 3.066 0.490 5.490 1.00 0.00 C ATOM 753 CD LYS A 51 2.318 1.135 6.663 1.00 0.00 C ATOM 754 CE LYS A 51 0.798 1.143 6.459 1.00 0.00 C ATOM 755 NZ LYS A 51 0.118 1.789 7.599 1.00 0.00 N ATOM 0 H LYS A 51 3.414 -3.620 5.110 1.00 0.00 H new ATOM 0 HA LYS A 51 3.631 -1.167 3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.747 -1.159 5.030 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.878 -1.494 6.326 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.137 0.640 5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.786 0.995 4.565 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.555 0.597 7.581 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.669 2.159 6.794 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.553 1.671 5.537 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.437 0.121 6.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.912 1.708 7.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.402 1.321 8.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.384 2.794 7.638 1.00 0.00 H new ATOM 769 N ILE A 52 5.993 -0.791 4.389 1.00 0.00 N ATOM 770 CA ILE A 52 7.339 -0.608 4.923 1.00 0.00 C ATOM 771 C ILE A 52 7.316 0.735 5.647 1.00 0.00 C ATOM 772 O ILE A 52 6.694 1.673 5.153 1.00 0.00 O ATOM 773 CB ILE A 52 8.402 -0.712 3.803 1.00 0.00 C ATOM 774 CG1 ILE A 52 8.356 -2.113 3.148 1.00 0.00 C ATOM 775 CG2 ILE A 52 9.823 -0.409 4.326 1.00 0.00 C ATOM 776 CD1 ILE A 52 9.336 -2.282 1.980 1.00 0.00 C ATOM 0 H ILE A 52 5.757 -0.150 3.632 1.00 0.00 H new ATOM 0 HA ILE A 52 7.625 -1.392 5.624 1.00 0.00 H new ATOM 0 HB ILE A 52 8.163 0.042 3.053 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.575 -2.866 3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.344 -2.304 2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.538 -0.493 3.507 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.853 0.602 4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 52 10.082 -1.122 5.109 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.246 -3.289 1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.105 -1.554 1.203 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.355 -2.124 2.334 1.00 0.00 H new ATOM 788 N VAL A 53 7.970 0.845 6.805 1.00 0.00 N ATOM 789 CA VAL A 53 7.921 2.059 7.627 1.00 0.00 C ATOM 790 C VAL A 53 9.347 2.434 8.024 1.00 0.00 C ATOM 791 O VAL A 53 9.913 1.864 8.956 1.00 0.00 O ATOM 792 CB VAL A 53 6.964 1.862 8.829 1.00 0.00 C ATOM 793 CG1 VAL A 53 6.956 3.078 9.767 1.00 0.00 C ATOM 794 CG2 VAL A 53 5.517 1.648 8.360 1.00 0.00 C ATOM 0 H VAL A 53 8.546 0.101 7.199 1.00 0.00 H new ATOM 0 HA VAL A 53 7.508 2.897 7.065 1.00 0.00 H new ATOM 0 HB VAL A 53 7.335 0.984 9.359 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.271 2.894 10.595 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.960 3.243 10.157 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.631 3.960 9.216 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.870 1.513 9.227 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.186 2.518 7.792 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.467 0.761 7.728 1.00 0.00 H new ATOM 804 N LYS A 54 9.959 3.377 7.308 1.00 0.00 N ATOM 805 CA LYS A 54 11.277 3.885 7.688 1.00 0.00 C ATOM 806 C LYS A 54 11.096 4.811 8.892 1.00 0.00 C ATOM 807 O LYS A 54 10.136 5.588 8.926 1.00 0.00 O ATOM 808 CB LYS A 54 11.954 4.591 6.501 1.00 0.00 C ATOM 809 CG LYS A 54 12.202 3.617 5.332 1.00 0.00 C ATOM 810 CD LYS A 54 12.900 4.265 4.128 1.00 0.00 C ATOM 811 CE LYS A 54 14.291 4.846 4.437 1.00 0.00 C ATOM 812 NZ LYS A 54 15.322 3.811 4.706 1.00 0.00 N ATOM 0 H LYS A 54 9.567 3.802 6.468 1.00 0.00 H new ATOM 0 HA LYS A 54 11.939 3.065 7.967 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.328 5.416 6.162 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.902 5.022 6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.808 2.784 5.687 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.248 3.202 5.008 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.998 3.522 3.337 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.265 5.062 3.741 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.614 5.459 3.596 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.216 5.505 5.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.165 4.260 5.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.943 3.109 5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.580 3.339 3.816 1.00 0.00 H new ATOM 826 N ILE A 55 12.007 4.761 9.862 1.00 0.00 N ATOM 827 CA ILE A 55 11.962 5.606 11.052 1.00 0.00 C ATOM 828 C ILE A 55 13.396 6.004 11.424 1.00 0.00 C ATOM 829 O ILE A 55 14.288 5.155 11.544 1.00 0.00 O ATOM 830 CB ILE A 55 11.140 4.924 12.176 1.00 0.00 C ATOM 831 CG1 ILE A 55 11.118 5.811 13.441 1.00 0.00 C ATOM 832 CG2 ILE A 55 11.594 3.489 12.506 1.00 0.00 C ATOM 833 CD1 ILE A 55 10.012 5.432 14.435 1.00 0.00 C ATOM 0 H ILE A 55 12.805 4.126 9.843 1.00 0.00 H new ATOM 0 HA ILE A 55 11.428 6.537 10.865 1.00 0.00 H new ATOM 0 HB ILE A 55 10.126 4.821 11.791 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.084 5.741 13.941 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.987 6.851 13.143 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.969 3.083 13.301 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.501 2.865 11.617 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.634 3.502 12.833 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.056 6.096 15.299 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.040 5.529 13.952 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.154 4.402 14.762 1.00 0.00 H new ATOM 845 N ASP A 56 13.612 7.321 11.523 1.00 0.00 N ATOM 846 CA ASP A 56 14.921 7.933 11.740 1.00 0.00 C ATOM 847 C ASP A 56 15.239 7.899 13.230 1.00 0.00 C ATOM 848 O ASP A 56 14.646 8.656 14.004 1.00 0.00 O ATOM 849 CB ASP A 56 14.948 9.375 11.216 1.00 0.00 C ATOM 850 CG ASP A 56 16.291 10.091 11.478 1.00 0.00 C ATOM 851 OD1 ASP A 56 17.252 9.467 11.983 1.00 0.00 O ATOM 852 OD2 ASP A 56 16.381 11.293 11.138 1.00 0.00 O ATOM 0 H ASP A 56 12.859 8.005 11.452 1.00 0.00 H new ATOM 0 HA ASP A 56 15.676 7.371 11.190 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.749 9.369 10.144 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.144 9.941 11.686 1.00 0.00 H new ATOM 857 N VAL A 57 16.136 7.011 13.651 1.00 0.00 N ATOM 858 CA VAL A 57 16.458 6.816 15.059 1.00 0.00 C ATOM 859 C VAL A 57 17.001 8.093 15.704 1.00 0.00 C ATOM 860 O VAL A 57 16.829 8.261 16.911 1.00 0.00 O ATOM 861 CB VAL A 57 17.408 5.614 15.258 1.00 0.00 C ATOM 862 CG1 VAL A 57 16.768 4.327 14.719 1.00 0.00 C ATOM 863 CG2 VAL A 57 18.797 5.790 14.626 1.00 0.00 C ATOM 0 H VAL A 57 16.661 6.405 13.021 1.00 0.00 H new ATOM 0 HA VAL A 57 15.528 6.580 15.576 1.00 0.00 H new ATOM 0 HB VAL A 57 17.562 5.549 16.335 1.00 0.00 H new ATOM 0 HG11 VAL A 57 17.451 3.491 14.868 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.837 4.133 15.251 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.561 4.442 13.655 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.398 4.900 14.814 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.692 5.936 13.551 1.00 0.00 H new ATOM 0 HG23 VAL A 57 19.289 6.659 15.064 1.00 0.00 H new ATOM 873 N ASP A 58 17.603 9.014 14.942 1.00 0.00 N ATOM 874 CA ASP A 58 18.199 10.233 15.497 1.00 0.00 C ATOM 875 C ASP A 58 17.142 11.165 16.108 1.00 0.00 C ATOM 876 O ASP A 58 17.469 12.010 16.941 1.00 0.00 O ATOM 877 CB ASP A 58 19.005 10.975 14.425 1.00 0.00 C ATOM 878 CG ASP A 58 19.747 12.187 15.016 1.00 0.00 C ATOM 879 OD1 ASP A 58 20.669 11.992 15.842 1.00 0.00 O ATOM 880 OD2 ASP A 58 19.454 13.335 14.617 1.00 0.00 O ATOM 0 H ASP A 58 17.690 8.935 13.929 1.00 0.00 H new ATOM 0 HA ASP A 58 18.870 9.927 16.299 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.724 10.293 13.971 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.337 11.308 13.631 1.00 0.00 H new ATOM 885 N GLU A 59 15.869 10.971 15.750 1.00 0.00 N ATOM 886 CA GLU A 59 14.730 11.724 16.271 1.00 0.00 C ATOM 887 C GLU A 59 13.740 10.799 16.999 1.00 0.00 C ATOM 888 O GLU A 59 12.684 11.252 17.444 1.00 0.00 O ATOM 889 CB GLU A 59 14.039 12.473 15.120 1.00 0.00 C ATOM 890 CG GLU A 59 14.941 13.529 14.464 1.00 0.00 C ATOM 891 CD GLU A 59 14.141 14.456 13.529 1.00 0.00 C ATOM 892 OE1 GLU A 59 13.762 14.039 12.411 1.00 0.00 O ATOM 893 OE2 GLU A 59 13.890 15.627 13.899 1.00 0.00 O ATOM 0 H GLU A 59 15.597 10.263 15.068 1.00 0.00 H new ATOM 0 HA GLU A 59 15.092 12.450 16.999 1.00 0.00 H new ATOM 0 HB2 GLU A 59 13.722 11.754 14.365 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.138 12.957 15.498 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.428 14.123 15.237 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.730 13.034 13.898 1.00 0.00 H new ATOM 900 N ASN A 60 14.061 9.504 17.125 1.00 0.00 N ATOM 901 CA ASN A 60 13.146 8.463 17.603 1.00 0.00 C ATOM 902 C ASN A 60 13.895 7.499 18.521 1.00 0.00 C ATOM 903 O ASN A 60 13.707 6.280 18.465 1.00 0.00 O ATOM 904 CB ASN A 60 12.457 7.751 16.427 1.00 0.00 C ATOM 905 CG ASN A 60 11.534 8.694 15.672 1.00 0.00 C ATOM 906 OD1 ASN A 60 10.444 9.018 16.132 1.00 0.00 O ATOM 907 ND2 ASN A 60 11.949 9.174 14.512 1.00 0.00 N ATOM 0 H ASN A 60 14.987 9.145 16.891 1.00 0.00 H new ATOM 0 HA ASN A 60 12.349 8.922 18.188 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.211 7.356 15.747 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.886 6.900 16.799 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.361 9.822 13.988 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.858 8.896 14.141 1.00 0.00 H new ATOM 914 N GLN A 61 14.767 8.055 19.369 1.00 0.00 N ATOM 915 CA GLN A 61 15.517 7.307 20.371 1.00 0.00 C ATOM 916 C GLN A 61 14.576 6.514 21.283 1.00 0.00 C ATOM 917 O GLN A 61 14.937 5.424 21.719 1.00 0.00 O ATOM 918 CB GLN A 61 16.387 8.264 21.204 1.00 0.00 C ATOM 919 CG GLN A 61 17.547 8.877 20.407 1.00 0.00 C ATOM 920 CD GLN A 61 18.623 7.845 20.067 1.00 0.00 C ATOM 921 OE1 GLN A 61 19.449 7.480 20.901 1.00 0.00 O ATOM 922 NE2 GLN A 61 18.634 7.343 18.844 1.00 0.00 N ATOM 0 H GLN A 61 14.971 9.054 19.374 1.00 0.00 H new ATOM 0 HA GLN A 61 16.164 6.598 19.854 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.761 9.065 21.596 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.789 7.725 22.062 1.00 0.00 H new ATOM 0 HG2 GLN A 61 17.162 9.314 19.486 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.993 9.688 20.983 1.00 0.00 H new ATOM 0 HE21 GLN A 61 17.944 7.653 18.159 1.00 0.00 H new ATOM 0 HE22 GLN A 61 19.332 6.646 18.585 1.00 0.00 H new ATOM 931 N GLU A 62 13.369 7.025 21.551 1.00 0.00 N ATOM 932 CA GLU A 62 12.390 6.339 22.383 1.00 0.00 C ATOM 933 C GLU A 62 11.933 5.046 21.706 1.00 0.00 C ATOM 934 O GLU A 62 11.946 3.991 22.337 1.00 0.00 O ATOM 935 CB GLU A 62 11.188 7.256 22.668 1.00 0.00 C ATOM 936 CG GLU A 62 11.542 8.513 23.479 1.00 0.00 C ATOM 937 CD GLU A 62 12.088 8.183 24.881 1.00 0.00 C ATOM 938 OE1 GLU A 62 11.293 7.834 25.784 1.00 0.00 O ATOM 939 OE2 GLU A 62 13.315 8.294 25.106 1.00 0.00 O ATOM 0 H GLU A 62 13.049 7.926 21.195 1.00 0.00 H new ATOM 0 HA GLU A 62 12.858 6.085 23.334 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.743 7.560 21.721 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.430 6.688 23.208 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.284 9.096 22.933 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.655 9.139 23.577 1.00 0.00 H new ATOM 946 N THR A 63 11.571 5.094 20.422 1.00 0.00 N ATOM 947 CA THR A 63 11.090 3.932 19.683 1.00 0.00 C ATOM 948 C THR A 63 12.227 2.916 19.508 1.00 0.00 C ATOM 949 O THR A 63 12.021 1.721 19.680 1.00 0.00 O ATOM 950 CB THR A 63 10.517 4.377 18.329 1.00 0.00 C ATOM 951 OG1 THR A 63 10.011 5.693 18.389 1.00 0.00 O ATOM 952 CG2 THR A 63 9.404 3.471 17.805 1.00 0.00 C ATOM 0 H THR A 63 11.605 5.948 19.865 1.00 0.00 H new ATOM 0 HA THR A 63 10.291 3.446 20.243 1.00 0.00 H new ATOM 0 HB THR A 63 11.361 4.318 17.642 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.255 5.725 19.012 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.049 3.848 16.846 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.788 2.459 17.677 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.579 3.459 18.518 1.00 0.00 H new ATOM 960 N ALA A 64 13.446 3.381 19.229 1.00 0.00 N ATOM 961 CA ALA A 64 14.630 2.532 19.174 1.00 0.00 C ATOM 962 C ALA A 64 14.869 1.845 20.523 1.00 0.00 C ATOM 963 O ALA A 64 15.050 0.626 20.575 1.00 0.00 O ATOM 964 CB ALA A 64 15.833 3.389 18.752 1.00 0.00 C ATOM 0 H ALA A 64 13.637 4.364 19.034 1.00 0.00 H new ATOM 0 HA ALA A 64 14.485 1.741 18.438 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.726 2.766 18.707 1.00 0.00 H new ATOM 0 HB2 ALA A 64 15.644 3.823 17.770 1.00 0.00 H new ATOM 0 HB3 ALA A 64 15.984 4.187 19.479 1.00 0.00 H new ATOM 970 N GLY A 65 14.810 2.597 21.624 1.00 0.00 N ATOM 971 CA GLY A 65 14.971 2.066 22.972 1.00 0.00 C ATOM 972 C GLY A 65 13.871 1.065 23.327 1.00 0.00 C ATOM 973 O GLY A 65 14.118 0.118 24.075 1.00 0.00 O ATOM 0 H GLY A 65 14.647 3.604 21.600 1.00 0.00 H new ATOM 0 HA2 GLY A 65 15.944 1.582 23.057 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.960 2.887 23.689 1.00 0.00 H new ATOM 977 N LYS A 66 12.680 1.224 22.740 1.00 0.00 N ATOM 978 CA LYS A 66 11.507 0.377 22.942 1.00 0.00 C ATOM 979 C LYS A 66 11.806 -1.094 22.652 1.00 0.00 C ATOM 980 O LYS A 66 11.213 -1.961 23.297 1.00 0.00 O ATOM 981 CB LYS A 66 10.355 0.903 22.080 1.00 0.00 C ATOM 982 CG LYS A 66 9.027 0.766 22.839 1.00 0.00 C ATOM 983 CD LYS A 66 7.872 1.440 22.100 1.00 0.00 C ATOM 984 CE LYS A 66 8.002 2.974 22.063 1.00 0.00 C ATOM 985 NZ LYS A 66 6.955 3.621 21.236 1.00 0.00 N ATOM 0 H LYS A 66 12.503 1.983 22.081 1.00 0.00 H new ATOM 0 HA LYS A 66 11.216 0.423 23.992 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.530 1.948 21.822 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.307 0.347 21.144 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.799 -0.290 22.982 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.129 1.207 23.831 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.828 1.059 21.080 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.932 1.171 22.582 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.947 3.363 23.080 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.984 3.241 21.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.229 4.604 21.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.850 3.102 20.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.051 3.611 21.750 1.00 0.00 H new ATOM 999 N TYR A 67 12.744 -1.374 21.738 1.00 0.00 N ATOM 1000 CA TYR A 67 13.125 -2.740 21.361 1.00 0.00 C ATOM 1001 C TYR A 67 14.627 -2.996 21.549 1.00 0.00 C ATOM 1002 O TYR A 67 15.125 -4.043 21.132 1.00 0.00 O ATOM 1003 CB TYR A 67 12.687 -3.040 19.917 1.00 0.00 C ATOM 1004 CG TYR A 67 11.422 -2.333 19.478 1.00 0.00 C ATOM 1005 CD1 TYR A 67 10.170 -2.695 20.010 1.00 0.00 C ATOM 1006 CD2 TYR A 67 11.525 -1.227 18.618 1.00 0.00 C ATOM 1007 CE1 TYR A 67 9.021 -1.950 19.684 1.00 0.00 C ATOM 1008 CE2 TYR A 67 10.391 -0.471 18.305 1.00 0.00 C ATOM 1009 CZ TYR A 67 9.129 -0.826 18.831 1.00 0.00 C ATOM 1010 OH TYR A 67 8.038 -0.062 18.544 1.00 0.00 O ATOM 0 H TYR A 67 13.263 -0.653 21.236 1.00 0.00 H new ATOM 0 HA TYR A 67 12.604 -3.423 22.032 1.00 0.00 H new ATOM 0 HB2 TYR A 67 13.496 -2.761 19.241 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.541 -4.115 19.812 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.091 -3.546 20.670 1.00 0.00 H new ATOM 0 HD2 TYR A 67 12.483 -0.960 18.197 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.059 -2.236 20.084 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.481 0.389 17.658 1.00 0.00 H new ATOM 0 HH TYR A 67 8.099 0.262 17.621 1.00 0.00 H new ATOM 1020 N GLY A 68 15.360 -2.057 22.161 1.00 0.00 N ATOM 1021 CA GLY A 68 16.806 -2.156 22.328 1.00 0.00 C ATOM 1022 C GLY A 68 17.535 -2.171 20.983 1.00 0.00 C ATOM 1023 O GLY A 68 18.454 -2.970 20.794 1.00 0.00 O ATOM 0 H GLY A 68 14.960 -1.205 22.554 1.00 0.00 H new ATOM 0 HA2 GLY A 68 17.161 -1.315 22.924 1.00 0.00 H new ATOM 0 HA3 GLY A 68 17.046 -3.064 22.882 1.00 0.00 H new ATOM 1027 N VAL A 69 17.105 -1.335 20.032 1.00 0.00 N ATOM 1028 CA VAL A 69 17.756 -1.141 18.738 1.00 0.00 C ATOM 1029 C VAL A 69 19.129 -0.496 18.995 1.00 0.00 C ATOM 1030 O VAL A 69 19.257 0.725 19.109 1.00 0.00 O ATOM 1031 CB VAL A 69 16.830 -0.327 17.803 1.00 0.00 C ATOM 1032 CG1 VAL A 69 17.482 -0.029 16.449 1.00 0.00 C ATOM 1033 CG2 VAL A 69 15.501 -1.066 17.556 1.00 0.00 C ATOM 0 H VAL A 69 16.271 -0.760 20.147 1.00 0.00 H new ATOM 0 HA VAL A 69 17.932 -2.083 18.218 1.00 0.00 H new ATOM 0 HB VAL A 69 16.642 0.617 18.315 1.00 0.00 H new ATOM 0 HG11 VAL A 69 16.791 0.544 15.831 1.00 0.00 H new ATOM 0 HG12 VAL A 69 18.394 0.547 16.603 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.725 -0.966 15.948 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.871 -0.470 16.896 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.702 -2.031 17.092 1.00 0.00 H new ATOM 0 HG23 VAL A 69 14.988 -1.220 18.506 1.00 0.00 H new ATOM 1043 N MET A 70 20.150 -1.343 19.147 1.00 0.00 N ATOM 1044 CA MET A 70 21.518 -0.947 19.478 1.00 0.00 C ATOM 1045 C MET A 70 22.251 -0.293 18.303 1.00 0.00 C ATOM 1046 O MET A 70 23.143 0.533 18.515 1.00 0.00 O ATOM 1047 CB MET A 70 22.296 -2.180 19.970 1.00 0.00 C ATOM 1048 CG MET A 70 22.340 -3.355 18.981 1.00 0.00 C ATOM 1049 SD MET A 70 23.264 -4.797 19.581 1.00 0.00 S ATOM 1050 CE MET A 70 23.076 -5.883 18.140 1.00 0.00 C ATOM 0 H MET A 70 20.043 -2.352 19.040 1.00 0.00 H new ATOM 0 HA MET A 70 21.461 -0.194 20.264 1.00 0.00 H new ATOM 0 HB2 MET A 70 23.318 -1.879 20.199 1.00 0.00 H new ATOM 0 HB3 MET A 70 21.849 -2.525 20.902 1.00 0.00 H new ATOM 0 HG2 MET A 70 21.319 -3.661 18.752 1.00 0.00 H new ATOM 0 HG3 MET A 70 22.787 -3.013 18.048 1.00 0.00 H new ATOM 0 HE1 MET A 70 23.586 -6.828 18.328 1.00 0.00 H new ATOM 0 HE2 MET A 70 22.017 -6.071 17.962 1.00 0.00 H new ATOM 0 HE3 MET A 70 23.512 -5.403 17.264 1.00 0.00 H new ATOM 1060 N SER A 71 21.872 -0.657 17.078 1.00 0.00 N ATOM 1061 CA SER A 71 22.548 -0.313 15.837 1.00 0.00 C ATOM 1062 C SER A 71 21.513 -0.151 14.719 1.00 0.00 C ATOM 1063 O SER A 71 20.329 -0.436 14.922 1.00 0.00 O ATOM 1064 CB SER A 71 23.562 -1.417 15.481 1.00 0.00 C ATOM 1065 OG SER A 71 24.495 -1.638 16.528 1.00 0.00 O ATOM 0 H SER A 71 21.042 -1.229 16.922 1.00 0.00 H new ATOM 0 HA SER A 71 23.084 0.629 15.956 1.00 0.00 H new ATOM 0 HB2 SER A 71 23.029 -2.344 15.268 1.00 0.00 H new ATOM 0 HB3 SER A 71 24.096 -1.140 14.572 1.00 0.00 H new ATOM 0 HG SER A 71 25.120 -2.346 16.265 1.00 0.00 H new ATOM 1071 N ILE A 72 21.954 0.269 13.532 1.00 0.00 N ATOM 1072 CA ILE A 72 21.141 0.379 12.323 1.00 0.00 C ATOM 1073 C ILE A 72 21.977 -0.108 11.119 1.00 0.00 C ATOM 1074 O ILE A 72 23.210 -0.065 11.207 1.00 0.00 O ATOM 1075 CB ILE A 72 20.620 1.826 12.135 1.00 0.00 C ATOM 1076 CG1 ILE A 72 21.755 2.875 12.070 1.00 0.00 C ATOM 1077 CG2 ILE A 72 19.596 2.185 13.229 1.00 0.00 C ATOM 1078 CD1 ILE A 72 21.276 4.262 11.627 1.00 0.00 C ATOM 0 H ILE A 72 22.923 0.552 13.382 1.00 0.00 H new ATOM 0 HA ILE A 72 20.256 -0.252 12.408 1.00 0.00 H new ATOM 0 HB ILE A 72 20.122 1.854 11.166 1.00 0.00 H new ATOM 0 HG12 ILE A 72 22.222 2.956 13.052 1.00 0.00 H new ATOM 0 HG13 ILE A 72 22.523 2.526 11.380 1.00 0.00 H new ATOM 0 HG21 ILE A 72 19.244 3.205 13.077 1.00 0.00 H new ATOM 0 HG22 ILE A 72 18.751 1.498 13.176 1.00 0.00 H new ATOM 0 HG23 ILE A 72 20.067 2.106 14.209 1.00 0.00 H new ATOM 0 HD11 ILE A 72 22.122 4.949 11.603 1.00 0.00 H new ATOM 0 HD12 ILE A 72 20.835 4.194 10.632 1.00 0.00 H new ATOM 0 HD13 ILE A 72 20.529 4.631 12.330 1.00 0.00 H new ATOM 1090 N PRO A 73 21.372 -0.556 10.000 1.00 0.00 N ATOM 1091 CA PRO A 73 19.939 -0.743 9.801 1.00 0.00 C ATOM 1092 C PRO A 73 19.429 -1.880 10.686 1.00 0.00 C ATOM 1093 O PRO A 73 20.079 -2.923 10.799 1.00 0.00 O ATOM 1094 CB PRO A 73 19.764 -1.078 8.315 1.00 0.00 C ATOM 1095 CG PRO A 73 21.092 -1.729 7.933 1.00 0.00 C ATOM 1096 CD PRO A 73 22.103 -1.007 8.824 1.00 0.00 C ATOM 0 HA PRO A 73 19.369 0.146 10.071 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.925 -1.755 8.153 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.571 -0.184 7.723 1.00 0.00 H new ATOM 0 HG2 PRO A 73 21.083 -2.803 8.122 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.318 -1.593 6.875 1.00 0.00 H new ATOM 0 HD2 PRO A 73 22.917 -1.674 9.106 1.00 0.00 H new ATOM 0 HD3 PRO A 73 22.550 -0.163 8.298 1.00 0.00 H new ATOM 1104 N THR A 74 18.256 -1.685 11.279 1.00 0.00 N ATOM 1105 CA THR A 74 17.601 -2.704 12.086 1.00 0.00 C ATOM 1106 C THR A 74 16.148 -2.765 11.641 1.00 0.00 C ATOM 1107 O THR A 74 15.506 -1.741 11.406 1.00 0.00 O ATOM 1108 CB THR A 74 17.800 -2.392 13.576 1.00 0.00 C ATOM 1109 OG1 THR A 74 19.160 -2.581 13.899 1.00 0.00 O ATOM 1110 CG2 THR A 74 16.980 -3.300 14.496 1.00 0.00 C ATOM 0 H THR A 74 17.732 -0.812 11.212 1.00 0.00 H new ATOM 0 HA THR A 74 18.032 -3.695 11.944 1.00 0.00 H new ATOM 0 HB THR A 74 17.470 -1.365 13.731 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.450 -1.878 14.517 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.165 -3.028 15.535 1.00 0.00 H new ATOM 0 HG22 THR A 74 15.920 -3.181 14.273 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.270 -4.338 14.335 1.00 0.00 H new ATOM 1118 N LEU A 75 15.645 -3.983 11.467 1.00 0.00 N ATOM 1119 CA LEU A 75 14.369 -4.263 10.846 1.00 0.00 C ATOM 1120 C LEU A 75 13.491 -4.869 11.926 1.00 0.00 C ATOM 1121 O LEU A 75 13.880 -5.852 12.560 1.00 0.00 O ATOM 1122 CB LEU A 75 14.546 -5.223 9.656 1.00 0.00 C ATOM 1123 CG LEU A 75 14.903 -4.540 8.319 1.00 0.00 C ATOM 1124 CD1 LEU A 75 16.189 -3.706 8.346 1.00 0.00 C ATOM 1125 CD2 LEU A 75 15.045 -5.616 7.238 1.00 0.00 C ATOM 0 H LEU A 75 16.136 -4.825 11.767 1.00 0.00 H new ATOM 0 HA LEU A 75 13.912 -3.358 10.445 1.00 0.00 H new ATOM 0 HB2 LEU A 75 15.328 -5.942 9.901 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.624 -5.789 9.524 1.00 0.00 H new ATOM 0 HG LEU A 75 14.091 -3.843 8.112 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.358 -3.265 7.363 1.00 0.00 H new ATOM 0 HD12 LEU A 75 16.093 -2.913 9.088 1.00 0.00 H new ATOM 0 HD13 LEU A 75 17.032 -4.346 8.606 1.00 0.00 H new ATOM 0 HD21 LEU A 75 15.297 -5.146 6.288 1.00 0.00 H new ATOM 0 HD22 LEU A 75 15.835 -6.312 7.519 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.104 -6.156 7.137 1.00 0.00 H new ATOM 1137 N LEU A 76 12.314 -4.288 12.141 1.00 0.00 N ATOM 1138 CA LEU A 76 11.337 -4.781 13.105 1.00 0.00 C ATOM 1139 C LEU A 76 10.159 -5.190 12.245 1.00 0.00 C ATOM 1140 O LEU A 76 9.646 -4.365 11.494 1.00 0.00 O ATOM 1141 CB LEU A 76 10.923 -3.683 14.113 1.00 0.00 C ATOM 1142 CG LEU A 76 11.832 -3.445 15.338 1.00 0.00 C ATOM 1143 CD1 LEU A 76 11.722 -4.607 16.328 1.00 0.00 C ATOM 1144 CD2 LEU A 76 13.297 -3.234 14.957 1.00 0.00 C ATOM 0 H LEU A 76 12.009 -3.451 11.644 1.00 0.00 H new ATOM 0 HA LEU A 76 11.731 -5.597 13.711 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.843 -2.742 13.568 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.925 -3.925 14.479 1.00 0.00 H new ATOM 0 HG LEU A 76 11.479 -2.527 15.807 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.371 -4.419 17.184 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.690 -4.699 16.668 1.00 0.00 H new ATOM 0 HD13 LEU A 76 12.026 -5.532 15.839 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.888 -3.072 15.859 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.668 -4.116 14.434 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.382 -2.364 14.306 1.00 0.00 H new ATOM 1156 N VAL A 77 9.734 -6.443 12.324 1.00 0.00 N ATOM 1157 CA VAL A 77 8.486 -6.848 11.699 1.00 0.00 C ATOM 1158 C VAL A 77 7.466 -6.693 12.805 1.00 0.00 C ATOM 1159 O VAL A 77 7.640 -7.259 13.891 1.00 0.00 O ATOM 1160 CB VAL A 77 8.513 -8.287 11.158 1.00 0.00 C ATOM 1161 CG1 VAL A 77 7.334 -8.501 10.196 1.00 0.00 C ATOM 1162 CG2 VAL A 77 9.812 -8.620 10.413 1.00 0.00 C ATOM 0 H VAL A 77 10.231 -7.190 12.810 1.00 0.00 H new ATOM 0 HA VAL A 77 8.266 -6.244 10.818 1.00 0.00 H new ATOM 0 HB VAL A 77 8.442 -8.947 12.023 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.356 -9.522 9.815 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.397 -8.332 10.726 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.412 -7.801 9.364 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.772 -9.649 10.055 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.929 -7.945 9.565 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.659 -8.504 11.089 1.00 0.00 H new ATOM 1172 N LEU A 78 6.410 -5.936 12.530 1.00 0.00 N ATOM 1173 CA LEU A 78 5.271 -5.800 13.408 1.00 0.00 C ATOM 1174 C LEU A 78 4.088 -6.422 12.686 1.00 0.00 C ATOM 1175 O LEU A 78 4.043 -6.445 11.454 1.00 0.00 O ATOM 1176 CB LEU A 78 5.010 -4.327 13.785 1.00 0.00 C ATOM 1177 CG LEU A 78 6.131 -3.706 14.649 1.00 0.00 C ATOM 1178 CD1 LEU A 78 7.194 -2.988 13.809 1.00 0.00 C ATOM 1179 CD2 LEU A 78 5.575 -2.737 15.697 1.00 0.00 C ATOM 0 H LEU A 78 6.327 -5.392 11.671 1.00 0.00 H new ATOM 0 HA LEU A 78 5.451 -6.309 14.355 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.898 -3.741 12.873 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.066 -4.260 14.325 1.00 0.00 H new ATOM 0 HG LEU A 78 6.605 -4.546 15.157 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.957 -2.571 14.467 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.656 -3.698 13.122 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.726 -2.184 13.240 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.396 -2.323 16.282 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.042 -1.928 15.198 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.891 -3.269 16.358 1.00 0.00 H new ATOM 1191 N LYS A 79 3.124 -6.924 13.446 1.00 0.00 N ATOM 1192 CA LYS A 79 1.880 -7.444 12.912 1.00 0.00 C ATOM 1193 C LYS A 79 0.776 -6.952 13.825 1.00 0.00 C ATOM 1194 O LYS A 79 0.853 -7.148 15.037 1.00 0.00 O ATOM 1195 CB LYS A 79 1.943 -8.976 12.800 1.00 0.00 C ATOM 1196 CG LYS A 79 0.656 -9.549 12.197 1.00 0.00 C ATOM 1197 CD LYS A 79 0.765 -11.052 11.913 1.00 0.00 C ATOM 1198 CE LYS A 79 -0.540 -11.546 11.269 1.00 0.00 C ATOM 1199 NZ LYS A 79 -0.446 -12.956 10.819 1.00 0.00 N ATOM 0 H LYS A 79 3.188 -6.981 14.462 1.00 0.00 H new ATOM 0 HA LYS A 79 1.688 -7.091 11.899 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.794 -9.262 12.182 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.107 -9.408 13.787 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.174 -9.370 12.881 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.425 -9.022 11.271 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.608 -11.248 11.250 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.955 -11.595 12.839 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.356 -11.449 11.985 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.786 -10.911 10.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.369 -13.266 10.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.268 -13.033 10.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.171 -13.559 11.621 1.00 0.00 H new ATOM 1213 N ASP A 80 -0.229 -6.302 13.240 1.00 0.00 N ATOM 1214 CA ASP A 80 -1.409 -5.781 13.934 1.00 0.00 C ATOM 1215 C ASP A 80 -1.034 -4.923 15.163 1.00 0.00 C ATOM 1216 O ASP A 80 -1.734 -4.912 16.177 1.00 0.00 O ATOM 1217 CB ASP A 80 -2.375 -6.940 14.245 1.00 0.00 C ATOM 1218 CG ASP A 80 -3.727 -6.472 14.819 1.00 0.00 C ATOM 1219 OD1 ASP A 80 -4.367 -5.570 14.235 1.00 0.00 O ATOM 1220 OD2 ASP A 80 -4.197 -7.058 15.821 1.00 0.00 O ATOM 0 H ASP A 80 -0.246 -6.117 12.237 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.937 -5.089 13.278 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.553 -7.509 13.333 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.902 -7.617 14.956 1.00 0.00 H new ATOM 1225 N GLY A 81 0.097 -4.208 15.085 1.00 0.00 N ATOM 1226 CA GLY A 81 0.482 -3.189 16.056 1.00 0.00 C ATOM 1227 C GLY A 81 1.517 -3.640 17.090 1.00 0.00 C ATOM 1228 O GLY A 81 1.897 -2.822 17.928 1.00 0.00 O ATOM 0 H GLY A 81 0.776 -4.327 14.333 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.879 -2.328 15.519 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.412 -2.853 16.581 1.00 0.00 H new ATOM 1232 N GLU A 82 1.998 -4.889 17.055 1.00 0.00 N ATOM 1233 CA GLU A 82 2.999 -5.397 17.992 1.00 0.00 C ATOM 1234 C GLU A 82 4.153 -6.038 17.224 1.00 0.00 C ATOM 1235 O GLU A 82 3.945 -6.548 16.123 1.00 0.00 O ATOM 1236 CB GLU A 82 2.326 -6.367 18.975 1.00 0.00 C ATOM 1237 CG GLU A 82 1.953 -7.748 18.406 1.00 0.00 C ATOM 1238 CD GLU A 82 1.276 -8.624 19.476 1.00 0.00 C ATOM 1239 OE1 GLU A 82 1.980 -9.354 20.210 1.00 0.00 O ATOM 1240 OE2 GLU A 82 0.029 -8.606 19.591 1.00 0.00 O ATOM 0 H GLU A 82 1.698 -5.580 16.367 1.00 0.00 H new ATOM 0 HA GLU A 82 3.425 -4.581 18.576 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.993 -6.513 19.825 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.420 -5.896 19.358 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.283 -7.625 17.555 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.849 -8.247 18.037 1.00 0.00 H new ATOM 1247 N VAL A 83 5.369 -6.012 17.780 1.00 0.00 N ATOM 1248 CA VAL A 83 6.520 -6.679 17.177 1.00 0.00 C ATOM 1249 C VAL A 83 6.228 -8.174 17.122 1.00 0.00 C ATOM 1250 O VAL A 83 5.810 -8.785 18.110 1.00 0.00 O ATOM 1251 CB VAL A 83 7.829 -6.359 17.926 1.00 0.00 C ATOM 1252 CG1 VAL A 83 9.042 -7.005 17.232 1.00 0.00 C ATOM 1253 CG2 VAL A 83 8.077 -4.844 17.993 1.00 0.00 C ATOM 0 H VAL A 83 5.579 -5.531 18.654 1.00 0.00 H new ATOM 0 HA VAL A 83 6.673 -6.307 16.164 1.00 0.00 H new ATOM 0 HB VAL A 83 7.716 -6.763 18.932 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.950 -6.761 17.784 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.913 -8.087 17.206 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.123 -6.625 16.214 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.007 -4.651 18.527 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.149 -4.442 16.982 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.251 -4.363 18.517 1.00 0.00 H new ATOM 1263 N VAL A 84 6.488 -8.745 15.953 1.00 0.00 N ATOM 1264 CA VAL A 84 6.326 -10.150 15.660 1.00 0.00 C ATOM 1265 C VAL A 84 7.682 -10.758 15.255 1.00 0.00 C ATOM 1266 O VAL A 84 7.859 -11.961 15.452 1.00 0.00 O ATOM 1267 CB VAL A 84 5.159 -10.295 14.652 1.00 0.00 C ATOM 1268 CG1 VAL A 84 5.550 -9.979 13.201 1.00 0.00 C ATOM 1269 CG2 VAL A 84 4.476 -11.661 14.758 1.00 0.00 C ATOM 0 H VAL A 84 6.832 -8.213 15.154 1.00 0.00 H new ATOM 0 HA VAL A 84 6.034 -10.741 16.528 1.00 0.00 H new ATOM 0 HB VAL A 84 4.436 -9.532 14.941 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.681 -10.103 12.555 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.907 -8.951 13.136 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.340 -10.659 12.881 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.664 -11.719 14.033 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.202 -12.448 14.553 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.075 -11.790 15.763 1.00 0.00 H new ATOM 1279 N GLU A 85 8.671 -9.964 14.794 1.00 0.00 N ATOM 1280 CA GLU A 85 10.043 -10.451 14.556 1.00 0.00 C ATOM 1281 C GLU A 85 11.041 -9.279 14.530 1.00 0.00 C ATOM 1282 O GLU A 85 10.631 -8.127 14.392 1.00 0.00 O ATOM 1283 CB GLU A 85 10.061 -11.269 13.245 1.00 0.00 C ATOM 1284 CG GLU A 85 11.379 -11.923 12.812 1.00 0.00 C ATOM 1285 CD GLU A 85 11.898 -12.932 13.842 1.00 0.00 C ATOM 1286 OE1 GLU A 85 12.452 -12.504 14.880 1.00 0.00 O ATOM 1287 OE2 GLU A 85 11.755 -14.153 13.603 1.00 0.00 O ATOM 0 H GLU A 85 8.541 -8.976 14.578 1.00 0.00 H new ATOM 0 HA GLU A 85 10.356 -11.102 15.372 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.313 -12.057 13.335 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.736 -10.611 12.439 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.235 -12.426 11.856 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.131 -11.149 12.655 1.00 0.00 H new ATOM 1294 N THR A 86 12.345 -9.560 14.631 1.00 0.00 N ATOM 1295 CA THR A 86 13.429 -8.580 14.551 1.00 0.00 C ATOM 1296 C THR A 86 14.553 -9.150 13.666 1.00 0.00 C ATOM 1297 O THR A 86 14.737 -10.368 13.589 1.00 0.00 O ATOM 1298 CB THR A 86 13.947 -8.270 15.973 1.00 0.00 C ATOM 1299 OG1 THR A 86 12.883 -8.024 16.877 1.00 0.00 O ATOM 1300 CG2 THR A 86 14.879 -7.053 16.023 1.00 0.00 C ATOM 0 H THR A 86 12.684 -10.511 14.776 1.00 0.00 H new ATOM 0 HA THR A 86 13.070 -7.651 14.108 1.00 0.00 H new ATOM 0 HB THR A 86 14.503 -9.161 16.264 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.247 -7.833 17.767 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.208 -6.889 17.049 1.00 0.00 H new ATOM 0 HG22 THR A 86 15.747 -7.233 15.388 1.00 0.00 H new ATOM 0 HG23 THR A 86 14.346 -6.171 15.667 1.00 0.00 H new ATOM 1308 N SER A 87 15.315 -8.291 12.984 1.00 0.00 N ATOM 1309 CA SER A 87 16.538 -8.623 12.253 1.00 0.00 C ATOM 1310 C SER A 87 17.461 -7.394 12.253 1.00 0.00 C ATOM 1311 O SER A 87 16.989 -6.271 12.420 1.00 0.00 O ATOM 1312 CB SER A 87 16.171 -9.052 10.825 1.00 0.00 C ATOM 1313 OG SER A 87 15.411 -10.248 10.846 1.00 0.00 O ATOM 0 H SER A 87 15.084 -7.299 12.924 1.00 0.00 H new ATOM 0 HA SER A 87 17.063 -9.451 12.730 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.602 -8.261 10.336 1.00 0.00 H new ATOM 0 HB3 SER A 87 17.078 -9.201 10.239 1.00 0.00 H new ATOM 0 HG SER A 87 15.225 -10.501 11.774 1.00 0.00 H new ATOM 1319 N VAL A 88 18.772 -7.581 12.076 1.00 0.00 N ATOM 1320 CA VAL A 88 19.767 -6.506 12.119 1.00 0.00 C ATOM 1321 C VAL A 88 20.696 -6.675 10.913 1.00 0.00 C ATOM 1322 O VAL A 88 21.001 -7.806 10.521 1.00 0.00 O ATOM 1323 CB VAL A 88 20.529 -6.549 13.467 1.00 0.00 C ATOM 1324 CG1 VAL A 88 21.539 -5.398 13.607 1.00 0.00 C ATOM 1325 CG2 VAL A 88 19.585 -6.499 14.682 1.00 0.00 C ATOM 0 H VAL A 88 19.178 -8.499 11.896 1.00 0.00 H new ATOM 0 HA VAL A 88 19.295 -5.525 12.059 1.00 0.00 H new ATOM 0 HB VAL A 88 21.057 -7.502 13.455 1.00 0.00 H new ATOM 0 HG11 VAL A 88 22.046 -5.474 14.569 1.00 0.00 H new ATOM 0 HG12 VAL A 88 22.273 -5.459 12.804 1.00 0.00 H new ATOM 0 HG13 VAL A 88 21.014 -4.444 13.548 1.00 0.00 H new ATOM 0 HG21 VAL A 88 20.172 -6.532 15.600 1.00 0.00 H new ATOM 0 HG22 VAL A 88 19.005 -5.576 14.655 1.00 0.00 H new ATOM 0 HG23 VAL A 88 18.909 -7.353 14.653 1.00 0.00 H new ATOM 1335 N GLY A 89 21.167 -5.567 10.337 1.00 0.00 N ATOM 1336 CA GLY A 89 22.136 -5.565 9.248 1.00 0.00 C ATOM 1337 C GLY A 89 21.498 -5.862 7.889 1.00 0.00 C ATOM 1338 O GLY A 89 20.289 -6.089 7.783 1.00 0.00 O ATOM 0 H GLY A 89 20.878 -4.631 10.622 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.630 -4.594 9.208 1.00 0.00 H new ATOM 0 HA3 GLY A 89 22.908 -6.307 9.452 1.00 0.00 H new ATOM 1342 N PHE A 90 22.326 -5.841 6.840 1.00 0.00 N ATOM 1343 CA PHE A 90 21.906 -6.115 5.467 1.00 0.00 C ATOM 1344 C PHE A 90 21.322 -7.521 5.343 1.00 0.00 C ATOM 1345 O PHE A 90 21.742 -8.447 6.044 1.00 0.00 O ATOM 1346 CB PHE A 90 23.097 -5.911 4.512 1.00 0.00 C ATOM 1347 CG PHE A 90 22.769 -6.126 3.044 1.00 0.00 C ATOM 1348 CD1 PHE A 90 22.865 -7.412 2.474 1.00 0.00 C ATOM 1349 CD2 PHE A 90 22.342 -5.046 2.249 1.00 0.00 C ATOM 1350 CE1 PHE A 90 22.507 -7.620 1.130 1.00 0.00 C ATOM 1351 CE2 PHE A 90 21.990 -5.253 0.903 1.00 0.00 C ATOM 1352 CZ PHE A 90 22.065 -6.542 0.345 1.00 0.00 C ATOM 0 H PHE A 90 23.320 -5.630 6.925 1.00 0.00 H new ATOM 0 HA PHE A 90 21.117 -5.416 5.190 1.00 0.00 H new ATOM 0 HB2 PHE A 90 23.481 -4.899 4.641 1.00 0.00 H new ATOM 0 HB3 PHE A 90 23.897 -6.595 4.797 1.00 0.00 H new ATOM 0 HD1 PHE A 90 23.215 -8.241 3.072 1.00 0.00 H new ATOM 0 HD2 PHE A 90 22.284 -4.055 2.674 1.00 0.00 H new ATOM 0 HE1 PHE A 90 22.572 -8.609 0.701 1.00 0.00 H new ATOM 0 HE2 PHE A 90 21.662 -4.421 0.297 1.00 0.00 H new ATOM 0 HZ PHE A 90 21.783 -6.703 -0.685 1.00 0.00 H new ATOM 1362 N LYS A 91 20.361 -7.675 4.429 1.00 0.00 N ATOM 1363 CA LYS A 91 19.647 -8.913 4.154 1.00 0.00 C ATOM 1364 C LYS A 91 19.268 -8.894 2.668 1.00 0.00 C ATOM 1365 O LYS A 91 18.831 -7.840 2.196 1.00 0.00 O ATOM 1366 CB LYS A 91 18.387 -8.961 5.050 1.00 0.00 C ATOM 1367 CG LYS A 91 18.204 -10.268 5.830 1.00 0.00 C ATOM 1368 CD LYS A 91 19.346 -10.655 6.784 1.00 0.00 C ATOM 1369 CE LYS A 91 19.568 -9.619 7.896 1.00 0.00 C ATOM 1370 NZ LYS A 91 20.924 -9.730 8.480 1.00 0.00 N ATOM 0 H LYS A 91 20.050 -6.904 3.838 1.00 0.00 H new ATOM 0 HA LYS A 91 20.252 -9.794 4.367 1.00 0.00 H new ATOM 0 HB2 LYS A 91 18.430 -8.134 5.759 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.508 -8.800 4.426 1.00 0.00 H new ATOM 0 HG2 LYS A 91 17.284 -10.195 6.409 1.00 0.00 H new ATOM 0 HG3 LYS A 91 18.067 -11.078 5.114 1.00 0.00 H new ATOM 0 HD2 LYS A 91 19.125 -11.623 7.234 1.00 0.00 H new ATOM 0 HD3 LYS A 91 20.267 -10.772 6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.425 -8.616 7.494 1.00 0.00 H new ATOM 0 HE3 LYS A 91 18.822 -9.758 8.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.984 -9.138 9.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 21.113 -10.721 8.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 21.628 -9.409 7.786 1.00 0.00 H new ATOM 1384 N PRO A 92 19.423 -10.004 1.922 1.00 0.00 N ATOM 1385 CA PRO A 92 19.026 -10.055 0.523 1.00 0.00 C ATOM 1386 C PRO A 92 17.503 -10.007 0.382 1.00 0.00 C ATOM 1387 O PRO A 92 16.760 -10.378 1.292 1.00 0.00 O ATOM 1388 CB PRO A 92 19.602 -11.357 -0.040 1.00 0.00 C ATOM 1389 CG PRO A 92 19.751 -12.251 1.189 1.00 0.00 C ATOM 1390 CD PRO A 92 20.017 -11.268 2.331 1.00 0.00 C ATOM 0 HA PRO A 92 19.406 -9.194 -0.028 1.00 0.00 H new ATOM 0 HB2 PRO A 92 18.937 -11.802 -0.780 1.00 0.00 H new ATOM 0 HB3 PRO A 92 20.560 -11.191 -0.532 1.00 0.00 H new ATOM 0 HG2 PRO A 92 18.849 -12.837 1.368 1.00 0.00 H new ATOM 0 HG3 PRO A 92 20.572 -12.958 1.071 1.00 0.00 H new ATOM 0 HD2 PRO A 92 19.575 -11.623 3.262 1.00 0.00 H new ATOM 0 HD3 PRO A 92 21.087 -11.157 2.508 1.00 0.00 H new ATOM 1398 N LYS A 93 17.043 -9.615 -0.805 1.00 0.00 N ATOM 1399 CA LYS A 93 15.628 -9.459 -1.142 1.00 0.00 C ATOM 1400 C LYS A 93 14.818 -10.722 -0.881 1.00 0.00 C ATOM 1401 O LYS A 93 13.703 -10.661 -0.370 1.00 0.00 O ATOM 1402 CB LYS A 93 15.566 -9.081 -2.625 1.00 0.00 C ATOM 1403 CG LYS A 93 14.150 -8.698 -3.054 1.00 0.00 C ATOM 1404 CD LYS A 93 14.184 -8.037 -4.433 1.00 0.00 C ATOM 1405 CE LYS A 93 14.529 -9.029 -5.557 1.00 0.00 C ATOM 1406 NZ LYS A 93 14.550 -8.386 -6.896 1.00 0.00 N ATOM 0 H LYS A 93 17.663 -9.390 -1.583 1.00 0.00 H new ATOM 0 HA LYS A 93 15.187 -8.689 -0.509 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.242 -8.247 -2.816 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.915 -9.919 -3.229 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.517 -9.585 -3.082 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.712 -8.016 -2.325 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.214 -7.584 -4.639 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.918 -7.231 -4.427 1.00 0.00 H new ATOM 0 HE2 LYS A 93 15.503 -9.476 -5.357 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.800 -9.840 -5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.787 -9.096 -7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.614 -7.982 -7.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.264 -7.629 -6.907 1.00 0.00 H new ATOM 1420 N GLU A 94 15.375 -11.866 -1.260 1.00 0.00 N ATOM 1421 CA GLU A 94 14.744 -13.165 -1.051 1.00 0.00 C ATOM 1422 C GLU A 94 14.547 -13.425 0.449 1.00 0.00 C ATOM 1423 O GLU A 94 13.465 -13.834 0.868 1.00 0.00 O ATOM 1424 CB GLU A 94 15.593 -14.254 -1.725 1.00 0.00 C ATOM 1425 CG GLU A 94 14.924 -15.634 -1.669 1.00 0.00 C ATOM 1426 CD GLU A 94 15.732 -16.683 -2.455 1.00 0.00 C ATOM 1427 OE1 GLU A 94 16.672 -17.286 -1.890 1.00 0.00 O ATOM 1428 OE2 GLU A 94 15.426 -16.928 -3.645 1.00 0.00 O ATOM 0 H GLU A 94 16.282 -11.920 -1.724 1.00 0.00 H new ATOM 0 HA GLU A 94 13.754 -13.179 -1.508 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.770 -13.981 -2.765 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.567 -14.305 -1.238 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.827 -15.951 -0.631 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.916 -15.568 -2.078 1.00 0.00 H new ATOM 1435 N ALA A 95 15.558 -13.133 1.273 1.00 0.00 N ATOM 1436 CA ALA A 95 15.462 -13.317 2.716 1.00 0.00 C ATOM 1437 C ALA A 95 14.439 -12.358 3.324 1.00 0.00 C ATOM 1438 O ALA A 95 13.710 -12.737 4.238 1.00 0.00 O ATOM 1439 CB ALA A 95 16.828 -13.144 3.383 1.00 0.00 C ATOM 0 H ALA A 95 16.456 -12.766 0.958 1.00 0.00 H new ATOM 0 HA ALA A 95 15.122 -14.336 2.899 1.00 0.00 H new ATOM 0 HB1 ALA A 95 16.728 -13.286 4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 95 17.524 -13.881 2.983 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.206 -12.141 3.183 1.00 0.00 H new ATOM 1445 N LEU A 96 14.349 -11.130 2.806 1.00 0.00 N ATOM 1446 CA LEU A 96 13.324 -10.183 3.222 1.00 0.00 C ATOM 1447 C LEU A 96 11.933 -10.705 2.886 1.00 0.00 C ATOM 1448 O LEU A 96 11.031 -10.603 3.712 1.00 0.00 O ATOM 1449 CB LEU A 96 13.518 -8.811 2.570 1.00 0.00 C ATOM 1450 CG LEU A 96 14.780 -8.043 3.001 1.00 0.00 C ATOM 1451 CD1 LEU A 96 14.859 -6.732 2.215 1.00 0.00 C ATOM 1452 CD2 LEU A 96 14.785 -7.744 4.504 1.00 0.00 C ATOM 0 H LEU A 96 14.982 -10.771 2.092 1.00 0.00 H new ATOM 0 HA LEU A 96 13.420 -10.070 4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.547 -8.943 1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 96 12.646 -8.196 2.793 1.00 0.00 H new ATOM 0 HG LEU A 96 15.647 -8.669 2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 96 15.751 -6.181 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.908 -6.950 1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.974 -6.130 2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.694 -7.201 4.764 1.00 0.00 H new ATOM 0 HD22 LEU A 96 13.915 -7.138 4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 96 14.750 -8.680 5.061 1.00 0.00 H new ATOM 1464 N GLN A 97 11.744 -11.291 1.705 1.00 0.00 N ATOM 1465 CA GLN A 97 10.468 -11.903 1.364 1.00 0.00 C ATOM 1466 C GLN A 97 10.145 -13.020 2.341 1.00 0.00 C ATOM 1467 O GLN A 97 8.999 -13.124 2.757 1.00 0.00 O ATOM 1468 CB GLN A 97 10.459 -12.442 -0.073 1.00 0.00 C ATOM 1469 CG GLN A 97 10.137 -11.332 -1.067 1.00 0.00 C ATOM 1470 CD GLN A 97 10.321 -11.801 -2.506 1.00 0.00 C ATOM 1471 OE1 GLN A 97 9.474 -12.477 -3.083 1.00 0.00 O ATOM 1472 NE2 GLN A 97 11.452 -11.460 -3.103 1.00 0.00 N ATOM 0 H GLN A 97 12.454 -11.353 0.975 1.00 0.00 H new ATOM 0 HA GLN A 97 9.704 -11.129 1.432 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.430 -12.877 -0.309 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.722 -13.240 -0.162 1.00 0.00 H new ATOM 0 HG2 GLN A 97 9.110 -10.998 -0.921 1.00 0.00 H new ATOM 0 HG3 GLN A 97 10.782 -10.474 -0.877 1.00 0.00 H new ATOM 0 HE21 GLN A 97 12.142 -10.898 -2.605 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.633 -11.759 -4.061 1.00 0.00 H new ATOM 1481 N GLU A 98 11.124 -13.823 2.750 1.00 0.00 N ATOM 1482 CA GLU A 98 10.882 -14.896 3.709 1.00 0.00 C ATOM 1483 C GLU A 98 10.485 -14.320 5.075 1.00 0.00 C ATOM 1484 O GLU A 98 9.552 -14.815 5.708 1.00 0.00 O ATOM 1485 CB GLU A 98 12.092 -15.834 3.835 1.00 0.00 C ATOM 1486 CG GLU A 98 12.272 -16.722 2.597 1.00 0.00 C ATOM 1487 CD GLU A 98 13.406 -17.744 2.798 1.00 0.00 C ATOM 1488 OE1 GLU A 98 14.598 -17.380 2.694 1.00 0.00 O ATOM 1489 OE2 GLU A 98 13.113 -18.935 3.056 1.00 0.00 O ATOM 0 H GLU A 98 12.091 -13.751 2.433 1.00 0.00 H new ATOM 0 HA GLU A 98 10.052 -15.493 3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.994 -15.241 3.988 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.971 -16.464 4.716 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.340 -17.247 2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.491 -16.099 1.730 1.00 0.00 H new ATOM 1496 N LEU A 99 11.148 -13.240 5.498 1.00 0.00 N ATOM 1497 CA LEU A 99 10.882 -12.519 6.728 1.00 0.00 C ATOM 1498 C LEU A 99 9.451 -11.965 6.741 1.00 0.00 C ATOM 1499 O LEU A 99 8.800 -11.995 7.781 1.00 0.00 O ATOM 1500 CB LEU A 99 11.949 -11.416 6.838 1.00 0.00 C ATOM 1501 CG LEU A 99 11.789 -10.491 8.045 1.00 0.00 C ATOM 1502 CD1 LEU A 99 12.000 -11.258 9.351 1.00 0.00 C ATOM 1503 CD2 LEU A 99 12.785 -9.332 7.946 1.00 0.00 C ATOM 0 H LEU A 99 11.916 -12.834 4.964 1.00 0.00 H new ATOM 0 HA LEU A 99 10.945 -13.175 7.596 1.00 0.00 H new ATOM 0 HB2 LEU A 99 12.932 -11.884 6.884 1.00 0.00 H new ATOM 0 HB3 LEU A 99 11.924 -10.814 5.930 1.00 0.00 H new ATOM 0 HG LEU A 99 10.774 -10.094 8.045 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.881 -10.579 10.195 1.00 0.00 H new ATOM 0 HD12 LEU A 99 11.266 -12.060 9.425 1.00 0.00 H new ATOM 0 HD13 LEU A 99 13.004 -11.683 9.366 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.667 -8.676 8.808 1.00 0.00 H new ATOM 0 HD22 LEU A 99 13.801 -9.726 7.926 1.00 0.00 H new ATOM 0 HD23 LEU A 99 12.597 -8.768 7.033 1.00 0.00 H new ATOM 1515 N VAL A 100 8.935 -11.497 5.602 1.00 0.00 N ATOM 1516 CA VAL A 100 7.533 -11.117 5.448 1.00 0.00 C ATOM 1517 C VAL A 100 6.648 -12.372 5.496 1.00 0.00 C ATOM 1518 O VAL A 100 5.686 -12.450 6.262 1.00 0.00 O ATOM 1519 CB VAL A 100 7.368 -10.353 4.112 1.00 0.00 C ATOM 1520 CG1 VAL A 100 5.907 -9.999 3.798 1.00 0.00 C ATOM 1521 CG2 VAL A 100 8.186 -9.055 4.071 1.00 0.00 C ATOM 0 H VAL A 100 9.486 -11.371 4.753 1.00 0.00 H new ATOM 0 HA VAL A 100 7.222 -10.463 6.263 1.00 0.00 H new ATOM 0 HB VAL A 100 7.740 -11.048 3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.858 -9.465 2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.318 -10.913 3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.507 -9.367 4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.034 -8.559 3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.862 -8.395 4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.244 -9.287 4.195 1.00 0.00 H new ATOM 1531 N ASN A 101 6.989 -13.367 4.676 1.00 0.00 N ATOM 1532 CA ASN A 101 6.177 -14.539 4.368 1.00 0.00 C ATOM 1533 C ASN A 101 5.823 -15.335 5.617 1.00 0.00 C ATOM 1534 O ASN A 101 4.687 -15.788 5.746 1.00 0.00 O ATOM 1535 CB ASN A 101 6.919 -15.422 3.355 1.00 0.00 C ATOM 1536 CG ASN A 101 6.051 -16.551 2.818 1.00 0.00 C ATOM 1537 OD1 ASN A 101 5.807 -17.553 3.483 1.00 0.00 O ATOM 1538 ND2 ASN A 101 5.595 -16.417 1.584 1.00 0.00 N ATOM 0 H ASN A 101 7.883 -13.375 4.186 1.00 0.00 H new ATOM 0 HA ASN A 101 5.237 -14.196 3.936 1.00 0.00 H new ATOM 0 HB2 ASN A 101 7.262 -14.806 2.524 1.00 0.00 H new ATOM 0 HB3 ASN A 101 7.806 -15.844 3.827 1.00 0.00 H new ATOM 0 HD21 ASN A 101 5.028 -17.155 1.167 1.00 0.00 H new ATOM 0 HD22 ASN A 101 5.810 -15.575 1.049 1.00 0.00 H new ATOM 1545 N LYS A 102 6.759 -15.448 6.566 1.00 0.00 N ATOM 1546 CA LYS A 102 6.542 -16.209 7.798 1.00 0.00 C ATOM 1547 C LYS A 102 5.456 -15.605 8.704 1.00 0.00 C ATOM 1548 O LYS A 102 5.067 -16.257 9.674 1.00 0.00 O ATOM 1549 CB LYS A 102 7.871 -16.444 8.542 1.00 0.00 C ATOM 1550 CG LYS A 102 8.534 -15.157 9.054 1.00 0.00 C ATOM 1551 CD LYS A 102 9.777 -15.382 9.932 1.00 0.00 C ATOM 1552 CE LYS A 102 9.415 -16.033 11.277 1.00 0.00 C ATOM 1553 NZ LYS A 102 10.594 -16.234 12.156 1.00 0.00 N ATOM 0 H LYS A 102 7.681 -15.017 6.501 1.00 0.00 H new ATOM 0 HA LYS A 102 6.152 -17.183 7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.690 -17.109 9.387 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.564 -16.957 7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.816 -14.544 8.198 1.00 0.00 H new ATOM 0 HG3 LYS A 102 7.800 -14.588 9.625 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.487 -16.016 9.401 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.273 -14.428 10.112 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.686 -15.408 11.793 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.937 -16.995 11.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.338 -16.865 12.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.367 -16.661 11.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.904 -15.317 12.536 1.00 0.00 H new ATOM 1567 N HIS A 103 4.952 -14.403 8.399 1.00 0.00 N ATOM 1568 CA HIS A 103 3.897 -13.733 9.162 1.00 0.00 C ATOM 1569 C HIS A 103 2.653 -13.425 8.323 1.00 0.00 C ATOM 1570 O HIS A 103 1.630 -13.048 8.901 1.00 0.00 O ATOM 1571 CB HIS A 103 4.450 -12.445 9.787 1.00 0.00 C ATOM 1572 CG HIS A 103 5.592 -12.697 10.730 1.00 0.00 C ATOM 1573 ND1 HIS A 103 5.539 -13.393 11.918 1.00 0.00 N ATOM 1574 CD2 HIS A 103 6.895 -12.345 10.525 1.00 0.00 C ATOM 1575 CE1 HIS A 103 6.784 -13.450 12.417 1.00 0.00 C ATOM 1576 NE2 HIS A 103 7.649 -12.829 11.597 1.00 0.00 N ATOM 0 H HIS A 103 5.274 -13.860 7.598 1.00 0.00 H new ATOM 0 HA HIS A 103 3.579 -14.422 9.944 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.782 -11.775 8.994 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.650 -11.934 10.322 1.00 0.00 H new ATOM 0 HD1 HIS A 103 4.703 -13.794 12.343 1.00 0.00 H new ATOM 0 HD2 HIS A 103 7.276 -11.789 9.681 1.00 0.00 H new ATOM 0 HE1 HIS A 103 7.053 -13.928 13.347 1.00 0.00 H new ATOM 1584 N LEU A 104 2.707 -13.578 6.995 1.00 0.00 N ATOM 1585 CA LEU A 104 1.536 -13.440 6.137 1.00 0.00 C ATOM 1586 C LEU A 104 0.488 -14.471 6.544 1.00 0.00 C ATOM 1587 O LEU A 104 -0.705 -14.110 6.605 1.00 0.00 O ATOM 1588 CB LEU A 104 1.898 -13.606 4.652 1.00 0.00 C ATOM 1589 CG LEU A 104 2.750 -12.477 4.043 1.00 0.00 C ATOM 1590 CD1 LEU A 104 2.959 -12.751 2.550 1.00 0.00 C ATOM 1591 CD2 LEU A 104 2.128 -11.087 4.221 1.00 0.00 C ATOM 1592 OXT LEU A 104 0.845 -15.648 6.768 1.00 0.00 O ATOM 0 H LEU A 104 3.565 -13.801 6.490 1.00 0.00 H new ATOM 0 HA LEU A 104 1.134 -12.435 6.264 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.434 -14.547 4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.975 -13.689 4.079 1.00 0.00 H new ATOM 0 HG LEU A 104 3.700 -12.471 4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.562 -11.954 2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.472 -13.704 2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.992 -12.790 2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.778 -10.337 3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.152 -11.060 3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.011 -10.874 5.284 1.00 0.00 H new