USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=20 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 -79:sc= 1.24 USER MOD Single : A 16 SER OG : rot 73:sc= 1.28 USER MOD Single : A 33 LYS NZ :NH3+ 165:sc= 1.98 (180deg=1.49) USER MOD Single : A 34 MET CE :methyl -168:sc= -0.0203 (180deg=-0.44) USER MOD Single : A 44 GLN : amide:sc= -0.0339 X(o=-0.034,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 138:sc= 2.07 (180deg=0.394) USER MOD Single : A 51 LYS NZ :NH3+ -179:sc= 3.61 (180deg=3.61) USER MOD Single : A 54 LYS NZ :NH3+ -172:sc= 1.23 (180deg=1.14) USER MOD Single : A 60 ASN : amide:sc= 0.948 K(o=0.95,f=-4.2!) USER MOD Single : A 61 GLN : amide:sc= 0.697 K(o=0.7,f=-0.27) USER MOD Single : A 63 THR OG1 : rot -46:sc= 1.26 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -159:sc= 0.125 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 137:sc= 1.33 USER MOD Single : A 79 LYS NZ :NH3+ 178:sc= 1.25 (180deg=1.24) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 87 SER OG : rot 12:sc= 0.566 USER MOD Single : A 91 LYS NZ :NH3+ -179:sc= 1.19 (180deg=1.19) USER MOD Single : A 93 LYS NZ :NH3+ 173:sc= 1.28 (180deg=1.07) USER MOD Single : A 97 GLN : amide:sc= 0.886 K(o=0.89,f=-0.094) USER MOD Single : A 101 ASN : amide:sc= -0.0179 X(o=-0.018,f=-0.51) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : A 103 HIS : no HE2:sc= -0.149 K(o=-0.15,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 30 N ILE A 3 6.286 2.359 0.712 1.00 0.00 N ATOM 31 CA ILE A 3 7.156 2.730 1.826 1.00 0.00 C ATOM 32 C ILE A 3 6.607 4.040 2.414 1.00 0.00 C ATOM 33 O ILE A 3 6.066 4.885 1.694 1.00 0.00 O ATOM 34 CB ILE A 3 8.617 2.872 1.329 1.00 0.00 C ATOM 35 CG1 ILE A 3 9.154 1.549 0.725 1.00 0.00 C ATOM 36 CG2 ILE A 3 9.594 3.321 2.436 1.00 0.00 C ATOM 37 CD1 ILE A 3 9.989 1.807 -0.530 1.00 0.00 C ATOM 0 HA ILE A 3 7.167 1.965 2.603 1.00 0.00 H new ATOM 0 HB ILE A 3 8.574 3.645 0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.760 1.028 1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.318 0.894 0.479 1.00 0.00 H new ATOM 0 HG21 ILE A 3 10.600 3.401 2.023 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.283 4.291 2.825 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.591 2.589 3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.350 0.859 -0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 3 9.374 2.305 -1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.839 2.442 -0.278 1.00 0.00 H new ATOM 49 N VAL A 4 6.785 4.226 3.719 1.00 0.00 N ATOM 50 CA VAL A 4 6.303 5.350 4.512 1.00 0.00 C ATOM 51 C VAL A 4 7.473 5.788 5.405 1.00 0.00 C ATOM 52 O VAL A 4 8.421 5.025 5.615 1.00 0.00 O ATOM 53 CB VAL A 4 5.056 4.900 5.324 1.00 0.00 C ATOM 54 CG1 VAL A 4 4.339 6.050 6.047 1.00 0.00 C ATOM 55 CG2 VAL A 4 4.004 4.186 4.454 1.00 0.00 C ATOM 0 H VAL A 4 7.302 3.553 4.285 1.00 0.00 H new ATOM 0 HA VAL A 4 5.986 6.196 3.902 1.00 0.00 H new ATOM 0 HB VAL A 4 5.472 4.213 6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.480 5.658 6.591 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.027 6.525 6.747 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.001 6.785 5.316 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.156 3.895 5.074 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.664 4.860 3.668 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.447 3.297 4.004 1.00 0.00 H new ATOM 65 N LYS A 5 7.426 7.014 5.931 1.00 0.00 N ATOM 66 CA LYS A 5 8.337 7.495 6.971 1.00 0.00 C ATOM 67 C LYS A 5 7.454 7.774 8.185 1.00 0.00 C ATOM 68 O LYS A 5 6.361 8.321 8.015 1.00 0.00 O ATOM 69 CB LYS A 5 9.090 8.783 6.563 1.00 0.00 C ATOM 70 CG LYS A 5 10.523 8.573 6.038 1.00 0.00 C ATOM 71 CD LYS A 5 10.678 8.573 4.511 1.00 0.00 C ATOM 72 CE LYS A 5 9.819 7.513 3.816 1.00 0.00 C ATOM 73 NZ LYS A 5 10.034 7.501 2.344 1.00 0.00 N ATOM 0 H LYS A 5 6.742 7.712 5.641 1.00 0.00 H new ATOM 0 HA LYS A 5 9.110 6.751 7.165 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.511 9.294 5.794 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.131 9.448 7.426 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.160 9.356 6.450 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.896 7.624 6.423 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.411 9.557 4.126 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.725 8.405 4.259 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.054 6.530 4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.767 7.703 4.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.434 6.770 1.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.786 8.431 1.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.033 7.294 2.141 1.00 0.00 H new ATOM 87 N ALA A 6 7.906 7.426 9.389 1.00 0.00 N ATOM 88 CA ALA A 6 7.136 7.619 10.615 1.00 0.00 C ATOM 89 C ALA A 6 8.039 8.073 11.759 1.00 0.00 C ATOM 90 O ALA A 6 9.268 8.008 11.670 1.00 0.00 O ATOM 91 CB ALA A 6 6.416 6.314 10.983 1.00 0.00 C ATOM 0 H ALA A 6 8.820 7.001 9.541 1.00 0.00 H new ATOM 0 HA ALA A 6 6.395 8.400 10.444 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.842 6.461 11.898 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.743 6.029 10.174 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.151 5.524 11.138 1.00 0.00 H new ATOM 97 N THR A 7 7.404 8.494 12.847 1.00 0.00 N ATOM 98 CA THR A 7 8.017 8.888 14.102 1.00 0.00 C ATOM 99 C THR A 7 7.250 8.211 15.234 1.00 0.00 C ATOM 100 O THR A 7 6.155 7.686 15.019 1.00 0.00 O ATOM 101 CB THR A 7 7.965 10.418 14.265 1.00 0.00 C ATOM 102 OG1 THR A 7 6.670 10.914 13.965 1.00 0.00 O ATOM 103 CG2 THR A 7 8.974 11.124 13.354 1.00 0.00 C ATOM 0 H THR A 7 6.387 8.573 12.874 1.00 0.00 H new ATOM 0 HA THR A 7 9.064 8.584 14.121 1.00 0.00 H new ATOM 0 HB THR A 7 8.216 10.627 15.305 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.659 11.888 14.077 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.904 12.202 13.500 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.982 10.789 13.599 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.755 10.884 12.314 1.00 0.00 H new ATOM 111 N ASP A 8 7.779 8.272 16.455 1.00 0.00 N ATOM 112 CA ASP A 8 7.193 7.653 17.641 1.00 0.00 C ATOM 113 C ASP A 8 5.731 8.056 17.868 1.00 0.00 C ATOM 114 O ASP A 8 4.939 7.274 18.395 1.00 0.00 O ATOM 115 CB ASP A 8 8.016 8.029 18.878 1.00 0.00 C ATOM 116 CG ASP A 8 7.606 7.170 20.082 1.00 0.00 C ATOM 117 OD1 ASP A 8 7.962 5.969 20.102 1.00 0.00 O ATOM 118 OD2 ASP A 8 6.958 7.697 21.015 1.00 0.00 O ATOM 0 H ASP A 8 8.649 8.766 16.651 1.00 0.00 H new ATOM 0 HA ASP A 8 7.211 6.576 17.476 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.077 7.891 18.671 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.871 9.084 19.111 1.00 0.00 H new ATOM 123 N GLN A 9 5.367 9.266 17.426 1.00 0.00 N ATOM 124 CA GLN A 9 4.023 9.825 17.519 1.00 0.00 C ATOM 125 C GLN A 9 2.976 8.998 16.756 1.00 0.00 C ATOM 126 O GLN A 9 1.809 8.986 17.158 1.00 0.00 O ATOM 127 CB GLN A 9 4.030 11.259 16.967 1.00 0.00 C ATOM 128 CG GLN A 9 4.940 12.214 17.757 1.00 0.00 C ATOM 129 CD GLN A 9 4.876 13.634 17.192 1.00 0.00 C ATOM 130 OE1 GLN A 9 5.598 13.986 16.262 1.00 0.00 O ATOM 131 NE2 GLN A 9 4.012 14.483 17.728 1.00 0.00 N ATOM 0 H GLN A 9 6.028 9.901 16.979 1.00 0.00 H new ATOM 0 HA GLN A 9 3.743 9.811 18.572 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.354 11.238 15.927 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.012 11.649 16.976 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.640 12.223 18.805 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.968 11.852 17.723 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.416 14.185 18.500 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.943 15.435 17.369 1.00 0.00 H new ATOM 140 N SER A 10 3.378 8.311 15.683 1.00 0.00 N ATOM 141 CA SER A 10 2.462 7.666 14.738 1.00 0.00 C ATOM 142 C SER A 10 2.906 6.259 14.320 1.00 0.00 C ATOM 143 O SER A 10 2.141 5.556 13.659 1.00 0.00 O ATOM 144 CB SER A 10 2.300 8.564 13.500 1.00 0.00 C ATOM 145 OG SER A 10 1.953 9.895 13.861 1.00 0.00 O ATOM 0 H SER A 10 4.361 8.186 15.443 1.00 0.00 H new ATOM 0 HA SER A 10 1.507 7.540 15.249 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.230 8.571 12.931 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.530 8.151 12.848 1.00 0.00 H new ATOM 0 HG SER A 10 1.859 10.440 13.052 1.00 0.00 H new ATOM 151 N PHE A 11 4.105 5.819 14.711 1.00 0.00 N ATOM 152 CA PHE A 11 4.664 4.522 14.348 1.00 0.00 C ATOM 153 C PHE A 11 3.703 3.381 14.690 1.00 0.00 C ATOM 154 O PHE A 11 3.484 2.495 13.864 1.00 0.00 O ATOM 155 CB PHE A 11 6.012 4.350 15.059 1.00 0.00 C ATOM 156 CG PHE A 11 6.736 3.069 14.709 1.00 0.00 C ATOM 157 CD1 PHE A 11 7.512 3.007 13.536 1.00 0.00 C ATOM 158 CD2 PHE A 11 6.642 1.943 15.549 1.00 0.00 C ATOM 159 CE1 PHE A 11 8.205 1.831 13.213 1.00 0.00 C ATOM 160 CE2 PHE A 11 7.335 0.765 15.221 1.00 0.00 C ATOM 161 CZ PHE A 11 8.122 0.711 14.060 1.00 0.00 C ATOM 0 H PHE A 11 4.726 6.371 15.303 1.00 0.00 H new ATOM 0 HA PHE A 11 4.816 4.485 13.269 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.652 5.196 14.810 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.849 4.380 16.136 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.574 3.866 12.884 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.039 1.984 16.444 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.802 1.785 12.314 1.00 0.00 H new ATOM 0 HE2 PHE A 11 7.262 -0.100 15.863 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.664 -0.191 13.817 1.00 0.00 H new ATOM 171 N SER A 12 3.083 3.417 15.872 1.00 0.00 N ATOM 172 CA SER A 12 2.139 2.395 16.306 1.00 0.00 C ATOM 173 C SER A 12 0.907 2.337 15.397 1.00 0.00 C ATOM 174 O SER A 12 0.434 1.251 15.054 1.00 0.00 O ATOM 175 CB SER A 12 1.742 2.662 17.763 1.00 0.00 C ATOM 176 OG SER A 12 2.892 2.923 18.557 1.00 0.00 O ATOM 0 H SER A 12 3.225 4.161 16.555 1.00 0.00 H new ATOM 0 HA SER A 12 2.622 1.420 16.237 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.061 3.512 17.810 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.206 1.801 18.163 1.00 0.00 H new ATOM 0 HG SER A 12 2.619 3.093 19.483 1.00 0.00 H new ATOM 182 N ALA A 13 0.405 3.497 14.966 1.00 0.00 N ATOM 183 CA ALA A 13 -0.733 3.574 14.066 1.00 0.00 C ATOM 184 C ALA A 13 -0.360 3.003 12.699 1.00 0.00 C ATOM 185 O ALA A 13 -1.124 2.227 12.126 1.00 0.00 O ATOM 186 CB ALA A 13 -1.227 5.021 13.946 1.00 0.00 C ATOM 0 H ALA A 13 0.781 4.406 15.235 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.548 2.977 14.475 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.080 5.059 13.268 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.528 5.385 14.928 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.425 5.648 13.556 1.00 0.00 H new ATOM 192 N GLU A 14 0.827 3.346 12.194 1.00 0.00 N ATOM 193 CA GLU A 14 1.291 2.862 10.902 1.00 0.00 C ATOM 194 C GLU A 14 1.469 1.343 10.930 1.00 0.00 C ATOM 195 O GLU A 14 1.044 0.662 9.994 1.00 0.00 O ATOM 196 CB GLU A 14 2.598 3.555 10.469 1.00 0.00 C ATOM 197 CG GLU A 14 2.427 5.027 10.053 1.00 0.00 C ATOM 198 CD GLU A 14 1.401 5.249 8.925 1.00 0.00 C ATOM 199 OE1 GLU A 14 1.170 4.326 8.111 1.00 0.00 O ATOM 200 OE2 GLU A 14 0.818 6.355 8.851 1.00 0.00 O ATOM 0 H GLU A 14 1.486 3.963 12.669 1.00 0.00 H new ATOM 0 HA GLU A 14 0.529 3.111 10.164 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.313 3.502 11.290 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.030 3.002 9.635 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.123 5.606 10.925 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.393 5.417 9.732 1.00 0.00 H new ATOM 207 N THR A 15 2.045 0.803 12.006 1.00 0.00 N ATOM 208 CA THR A 15 2.340 -0.615 12.153 1.00 0.00 C ATOM 209 C THR A 15 1.117 -1.460 12.509 1.00 0.00 C ATOM 210 O THR A 15 1.213 -2.689 12.521 1.00 0.00 O ATOM 211 CB THR A 15 3.511 -0.806 13.128 1.00 0.00 C ATOM 212 OG1 THR A 15 3.298 -0.141 14.353 1.00 0.00 O ATOM 213 CG2 THR A 15 4.831 -0.301 12.533 1.00 0.00 C ATOM 0 H THR A 15 2.324 1.357 12.816 1.00 0.00 H new ATOM 0 HA THR A 15 2.646 -0.993 11.177 1.00 0.00 H new ATOM 0 HB THR A 15 3.572 -1.879 13.307 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.500 0.812 14.247 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.636 -0.453 13.252 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.052 -0.852 11.619 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.744 0.761 12.305 1.00 0.00 H new ATOM 221 N SER A 16 -0.036 -0.837 12.764 1.00 0.00 N ATOM 222 CA SER A 16 -1.253 -1.571 13.066 1.00 0.00 C ATOM 223 C SER A 16 -1.877 -2.224 11.829 1.00 0.00 C ATOM 224 O SER A 16 -2.672 -3.152 11.964 1.00 0.00 O ATOM 225 CB SER A 16 -2.262 -0.640 13.740 1.00 0.00 C ATOM 226 OG SER A 16 -1.805 -0.226 15.016 1.00 0.00 O ATOM 0 H SER A 16 -0.146 0.177 12.766 1.00 0.00 H new ATOM 0 HA SER A 16 -0.983 -2.381 13.743 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.431 0.234 13.111 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.220 -1.150 13.842 1.00 0.00 H new ATOM 0 HG SER A 16 -1.074 0.417 14.909 1.00 0.00 H new ATOM 232 N GLU A 17 -1.548 -1.759 10.624 1.00 0.00 N ATOM 233 CA GLU A 17 -2.248 -2.172 9.410 1.00 0.00 C ATOM 234 C GLU A 17 -1.636 -3.448 8.811 1.00 0.00 C ATOM 235 O GLU A 17 -1.025 -3.420 7.741 1.00 0.00 O ATOM 236 CB GLU A 17 -2.347 -1.003 8.413 1.00 0.00 C ATOM 237 CG GLU A 17 -3.181 0.158 8.977 1.00 0.00 C ATOM 238 CD GLU A 17 -3.490 1.209 7.898 1.00 0.00 C ATOM 239 OE1 GLU A 17 -2.548 1.884 7.429 1.00 0.00 O ATOM 240 OE2 GLU A 17 -4.675 1.375 7.525 1.00 0.00 O ATOM 0 H GLU A 17 -0.795 -1.091 10.463 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.272 -2.439 9.670 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.346 -0.647 8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.795 -1.355 7.484 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.114 -0.229 9.387 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.642 0.628 9.800 1.00 0.00 H new ATOM 247 N GLY A 18 -1.808 -4.579 9.503 1.00 0.00 N ATOM 248 CA GLY A 18 -1.409 -5.894 9.019 1.00 0.00 C ATOM 249 C GLY A 18 0.056 -6.145 9.343 1.00 0.00 C ATOM 250 O GLY A 18 0.558 -5.644 10.353 1.00 0.00 O ATOM 0 H GLY A 18 -2.235 -4.601 10.429 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.029 -6.663 9.479 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.568 -5.958 7.943 1.00 0.00 H new ATOM 254 N VAL A 19 0.726 -6.956 8.526 1.00 0.00 N ATOM 255 CA VAL A 19 2.181 -7.071 8.598 1.00 0.00 C ATOM 256 C VAL A 19 2.757 -5.765 8.056 1.00 0.00 C ATOM 257 O VAL A 19 2.312 -5.254 7.024 1.00 0.00 O ATOM 258 CB VAL A 19 2.726 -8.295 7.833 1.00 0.00 C ATOM 259 CG1 VAL A 19 4.262 -8.406 7.936 1.00 0.00 C ATOM 260 CG2 VAL A 19 2.128 -9.594 8.398 1.00 0.00 C ATOM 0 H VAL A 19 0.289 -7.539 7.812 1.00 0.00 H new ATOM 0 HA VAL A 19 2.486 -7.233 9.632 1.00 0.00 H new ATOM 0 HB VAL A 19 2.442 -8.157 6.790 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.601 -9.282 7.383 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.720 -7.511 7.515 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.550 -8.504 8.983 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.524 -10.447 7.846 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.393 -9.689 9.451 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.043 -9.569 8.298 1.00 0.00 H new ATOM 270 N VAL A 20 3.774 -5.252 8.738 1.00 0.00 N ATOM 271 CA VAL A 20 4.488 -4.037 8.402 1.00 0.00 C ATOM 272 C VAL A 20 5.961 -4.328 8.688 1.00 0.00 C ATOM 273 O VAL A 20 6.274 -5.087 9.606 1.00 0.00 O ATOM 274 CB VAL A 20 3.920 -2.870 9.241 1.00 0.00 C ATOM 275 CG1 VAL A 20 4.629 -1.546 8.923 1.00 0.00 C ATOM 276 CG2 VAL A 20 2.407 -2.696 8.990 1.00 0.00 C ATOM 0 H VAL A 20 4.137 -5.698 9.581 1.00 0.00 H new ATOM 0 HA VAL A 20 4.376 -3.740 7.359 1.00 0.00 H new ATOM 0 HB VAL A 20 4.093 -3.122 10.287 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.202 -0.749 9.532 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.692 -1.641 9.143 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.496 -1.307 7.868 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.031 -1.869 9.592 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.235 -2.484 7.935 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.885 -3.612 9.266 1.00 0.00 H new ATOM 286 N LEU A 21 6.872 -3.745 7.915 1.00 0.00 N ATOM 287 CA LEU A 21 8.302 -3.995 8.029 1.00 0.00 C ATOM 288 C LEU A 21 8.967 -2.639 8.223 1.00 0.00 C ATOM 289 O LEU A 21 9.108 -1.848 7.291 1.00 0.00 O ATOM 290 CB LEU A 21 8.767 -4.800 6.807 1.00 0.00 C ATOM 291 CG LEU A 21 10.171 -5.418 6.942 1.00 0.00 C ATOM 292 CD1 LEU A 21 10.454 -6.270 5.703 1.00 0.00 C ATOM 293 CD2 LEU A 21 11.309 -4.409 7.125 1.00 0.00 C ATOM 0 H LEU A 21 6.633 -3.077 7.182 1.00 0.00 H new ATOM 0 HA LEU A 21 8.580 -4.611 8.884 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.049 -5.599 6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.754 -4.149 5.933 1.00 0.00 H new ATOM 0 HG LEU A 21 10.152 -6.010 7.857 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.446 -6.714 5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.708 -7.061 5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.410 -5.643 4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.257 -4.941 7.211 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.344 -3.741 6.265 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.137 -3.827 8.030 1.00 0.00 H new ATOM 305 N ALA A 22 9.281 -2.321 9.473 1.00 0.00 N ATOM 306 CA ALA A 22 9.910 -1.072 9.833 1.00 0.00 C ATOM 307 C ALA A 22 11.412 -1.162 9.586 1.00 0.00 C ATOM 308 O ALA A 22 12.007 -2.218 9.798 1.00 0.00 O ATOM 309 CB ALA A 22 9.637 -0.779 11.302 1.00 0.00 C ATOM 0 H ALA A 22 9.101 -2.934 10.268 1.00 0.00 H new ATOM 0 HA ALA A 22 9.502 -0.266 9.223 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.110 0.163 11.579 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.562 -0.707 11.465 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.044 -1.583 11.915 1.00 0.00 H new ATOM 315 N ASP A 23 12.023 -0.038 9.225 1.00 0.00 N ATOM 316 CA ASP A 23 13.440 0.109 8.914 1.00 0.00 C ATOM 317 C ASP A 23 13.981 1.240 9.787 1.00 0.00 C ATOM 318 O ASP A 23 13.804 2.425 9.492 1.00 0.00 O ATOM 319 CB ASP A 23 13.645 0.405 7.422 1.00 0.00 C ATOM 320 CG ASP A 23 15.067 0.925 7.137 1.00 0.00 C ATOM 321 OD1 ASP A 23 16.046 0.290 7.584 1.00 0.00 O ATOM 322 OD2 ASP A 23 15.191 1.955 6.434 1.00 0.00 O ATOM 0 H ASP A 23 11.515 0.842 9.137 1.00 0.00 H new ATOM 0 HA ASP A 23 13.978 -0.816 9.122 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.465 -0.501 6.843 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.914 1.144 7.093 1.00 0.00 H new ATOM 327 N PHE A 24 14.552 0.863 10.925 1.00 0.00 N ATOM 328 CA PHE A 24 15.228 1.765 11.837 1.00 0.00 C ATOM 329 C PHE A 24 16.555 2.127 11.182 1.00 0.00 C ATOM 330 O PHE A 24 17.403 1.252 10.959 1.00 0.00 O ATOM 331 CB PHE A 24 15.401 1.104 13.215 1.00 0.00 C ATOM 332 CG PHE A 24 14.094 1.000 13.983 1.00 0.00 C ATOM 333 CD1 PHE A 24 13.097 0.090 13.581 1.00 0.00 C ATOM 334 CD2 PHE A 24 13.836 1.878 15.054 1.00 0.00 C ATOM 335 CE1 PHE A 24 11.838 0.099 14.204 1.00 0.00 C ATOM 336 CE2 PHE A 24 12.576 1.888 15.674 1.00 0.00 C ATOM 337 CZ PHE A 24 11.568 1.015 15.231 1.00 0.00 C ATOM 0 H PHE A 24 14.555 -0.106 11.243 1.00 0.00 H new ATOM 0 HA PHE A 24 14.652 2.672 12.019 1.00 0.00 H new ATOM 0 HB2 PHE A 24 15.822 0.107 13.085 1.00 0.00 H new ATOM 0 HB3 PHE A 24 16.118 1.678 13.802 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.301 -0.617 12.791 1.00 0.00 H new ATOM 0 HD2 PHE A 24 14.611 2.546 15.400 1.00 0.00 H new ATOM 0 HE1 PHE A 24 11.077 -0.601 13.892 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.382 2.567 16.491 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.587 1.049 15.681 1.00 0.00 H new ATOM 347 N TRP A 25 16.702 3.411 10.849 1.00 0.00 N ATOM 348 CA TRP A 25 17.821 3.964 10.101 1.00 0.00 C ATOM 349 C TRP A 25 18.049 5.408 10.561 1.00 0.00 C ATOM 350 O TRP A 25 17.362 5.874 11.464 1.00 0.00 O ATOM 351 CB TRP A 25 17.546 3.832 8.582 1.00 0.00 C ATOM 352 CG TRP A 25 17.366 5.085 7.774 1.00 0.00 C ATOM 353 CD1 TRP A 25 18.291 5.646 6.961 1.00 0.00 C ATOM 354 CD2 TRP A 25 16.236 6.010 7.771 1.00 0.00 C ATOM 355 NE1 TRP A 25 17.770 6.789 6.387 1.00 0.00 N ATOM 356 CE2 TRP A 25 16.522 7.087 6.883 1.00 0.00 C ATOM 357 CE3 TRP A 25 15.010 6.061 8.459 1.00 0.00 C ATOM 358 CZ2 TRP A 25 15.630 8.147 6.670 1.00 0.00 C ATOM 359 CZ3 TRP A 25 14.107 7.126 8.266 1.00 0.00 C ATOM 360 CH2 TRP A 25 14.412 8.165 7.369 1.00 0.00 C ATOM 0 H TRP A 25 16.014 4.119 11.106 1.00 0.00 H new ATOM 0 HA TRP A 25 18.742 3.413 10.293 1.00 0.00 H new ATOM 0 HB2 TRP A 25 18.371 3.271 8.143 1.00 0.00 H new ATOM 0 HB3 TRP A 25 16.648 3.227 8.459 1.00 0.00 H new ATOM 0 HD1 TRP A 25 19.284 5.259 6.788 1.00 0.00 H new ATOM 0 HE1 TRP A 25 18.252 7.345 5.681 1.00 0.00 H new ATOM 0 HE3 TRP A 25 14.756 5.269 9.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 15.876 8.939 5.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 13.175 7.144 8.811 1.00 0.00 H new ATOM 0 HH2 TRP A 25 13.712 8.974 7.218 1.00 0.00 H new ATOM 371 N ALA A 26 19.011 6.117 9.969 1.00 0.00 N ATOM 372 CA ALA A 26 19.184 7.555 10.112 1.00 0.00 C ATOM 373 C ALA A 26 19.947 8.042 8.877 1.00 0.00 C ATOM 374 O ALA A 26 20.766 7.281 8.357 1.00 0.00 O ATOM 375 CB ALA A 26 19.984 7.871 11.376 1.00 0.00 C ATOM 0 H ALA A 26 19.709 5.690 9.360 1.00 0.00 H new ATOM 0 HA ALA A 26 18.217 8.051 10.196 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.105 8.950 11.470 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.453 7.489 12.248 1.00 0.00 H new ATOM 0 HB3 ALA A 26 20.965 7.400 11.313 1.00 0.00 H new ATOM 381 N PRO A 27 19.756 9.281 8.394 1.00 0.00 N ATOM 382 CA PRO A 27 20.468 9.780 7.221 1.00 0.00 C ATOM 383 C PRO A 27 21.998 9.805 7.330 1.00 0.00 C ATOM 384 O PRO A 27 22.662 9.843 6.294 1.00 0.00 O ATOM 385 CB PRO A 27 19.913 11.176 6.941 1.00 0.00 C ATOM 386 CG PRO A 27 18.535 11.157 7.602 1.00 0.00 C ATOM 387 CD PRO A 27 18.723 10.224 8.797 1.00 0.00 C ATOM 0 HA PRO A 27 20.294 9.083 6.401 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.550 11.953 7.365 1.00 0.00 H new ATOM 0 HB3 PRO A 27 19.841 11.371 5.871 1.00 0.00 H new ATOM 0 HG2 PRO A 27 18.227 12.154 7.916 1.00 0.00 H new ATOM 0 HG3 PRO A 27 17.769 10.787 6.921 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.023 10.780 9.685 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.795 9.708 9.042 1.00 0.00 H new ATOM 395 N TRP A 28 22.583 9.762 8.534 1.00 0.00 N ATOM 396 CA TRP A 28 24.039 9.666 8.674 1.00 0.00 C ATOM 397 C TRP A 28 24.568 8.285 8.259 1.00 0.00 C ATOM 398 O TRP A 28 25.762 8.140 7.991 1.00 0.00 O ATOM 399 CB TRP A 28 24.477 10.004 10.107 1.00 0.00 C ATOM 400 CG TRP A 28 24.064 9.051 11.193 1.00 0.00 C ATOM 401 CD1 TRP A 28 23.004 9.217 12.013 1.00 0.00 C ATOM 402 CD2 TRP A 28 24.691 7.797 11.620 1.00 0.00 C ATOM 403 NE1 TRP A 28 22.935 8.176 12.916 1.00 0.00 N ATOM 404 CE2 TRP A 28 23.933 7.253 12.702 1.00 0.00 C ATOM 405 CE3 TRP A 28 25.822 7.059 11.205 1.00 0.00 C ATOM 406 CZ2 TRP A 28 24.262 6.035 13.317 1.00 0.00 C ATOM 407 CZ3 TRP A 28 26.160 5.833 11.811 1.00 0.00 C ATOM 408 CH2 TRP A 28 25.380 5.317 12.862 1.00 0.00 C ATOM 0 H TRP A 28 22.074 9.792 9.418 1.00 0.00 H new ATOM 0 HA TRP A 28 24.474 10.400 7.996 1.00 0.00 H new ATOM 0 HB2 TRP A 28 25.564 10.080 10.119 1.00 0.00 H new ATOM 0 HB3 TRP A 28 24.086 10.990 10.356 1.00 0.00 H new ATOM 0 HD1 TRP A 28 22.311 10.044 11.968 1.00 0.00 H new ATOM 0 HE1 TRP A 28 22.232 8.100 13.651 1.00 0.00 H new ATOM 0 HE3 TRP A 28 26.440 7.443 10.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 23.662 5.654 14.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 27.024 5.285 11.466 1.00 0.00 H new ATOM 0 HH2 TRP A 28 25.640 4.373 13.317 1.00 0.00 H new ATOM 419 N CYS A 29 23.696 7.272 8.239 1.00 0.00 N ATOM 420 CA CYS A 29 24.042 5.878 8.019 1.00 0.00 C ATOM 421 C CYS A 29 24.679 5.672 6.639 1.00 0.00 C ATOM 422 O CYS A 29 24.343 6.380 5.683 1.00 0.00 O ATOM 423 CB CYS A 29 22.757 5.058 8.139 1.00 0.00 C ATOM 424 SG CYS A 29 22.971 3.265 8.205 1.00 0.00 S ATOM 0 H CYS A 29 22.696 7.413 8.381 1.00 0.00 H new ATOM 0 HA CYS A 29 24.775 5.559 8.760 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.229 5.375 9.038 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.115 5.297 7.291 1.00 0.00 H new ATOM 429 N GLY A 30 25.528 4.648 6.517 1.00 0.00 N ATOM 430 CA GLY A 30 26.110 4.217 5.249 1.00 0.00 C ATOM 431 C GLY A 30 25.387 2.977 4.721 1.00 0.00 C ATOM 432 O GLY A 30 24.676 3.094 3.726 1.00 0.00 O ATOM 0 H GLY A 30 25.834 4.087 7.312 1.00 0.00 H new ATOM 0 HA2 GLY A 30 26.042 5.023 4.518 1.00 0.00 H new ATOM 0 HA3 GLY A 30 27.169 3.998 5.384 1.00 0.00 H new ATOM 436 N PRO A 31 25.475 1.806 5.385 1.00 0.00 N ATOM 437 CA PRO A 31 24.817 0.577 4.932 1.00 0.00 C ATOM 438 C PRO A 31 23.306 0.717 4.706 1.00 0.00 C ATOM 439 O PRO A 31 22.759 0.075 3.810 1.00 0.00 O ATOM 440 CB PRO A 31 25.130 -0.478 5.998 1.00 0.00 C ATOM 441 CG PRO A 31 26.454 0.001 6.587 1.00 0.00 C ATOM 442 CD PRO A 31 26.327 1.523 6.532 1.00 0.00 C ATOM 0 HA PRO A 31 25.197 0.301 3.949 1.00 0.00 H new ATOM 0 HB2 PRO A 31 24.348 -0.529 6.755 1.00 0.00 H new ATOM 0 HB3 PRO A 31 25.219 -1.474 5.564 1.00 0.00 H new ATOM 0 HG2 PRO A 31 26.594 -0.355 7.608 1.00 0.00 H new ATOM 0 HG3 PRO A 31 27.305 -0.354 6.006 1.00 0.00 H new ATOM 0 HD2 PRO A 31 25.889 1.913 7.451 1.00 0.00 H new ATOM 0 HD3 PRO A 31 27.304 1.994 6.420 1.00 0.00 H new ATOM 450 N CYS A 32 22.625 1.593 5.453 1.00 0.00 N ATOM 451 CA CYS A 32 21.203 1.865 5.251 1.00 0.00 C ATOM 452 C CYS A 32 20.913 2.314 3.809 1.00 0.00 C ATOM 453 O CYS A 32 19.877 1.971 3.243 1.00 0.00 O ATOM 454 CB CYS A 32 20.706 2.929 6.230 1.00 0.00 C ATOM 455 SG CYS A 32 21.058 2.637 7.989 1.00 0.00 S ATOM 0 H CYS A 32 23.045 2.130 6.211 1.00 0.00 H new ATOM 0 HA CYS A 32 20.669 0.933 5.436 1.00 0.00 H new ATOM 0 HB2 CYS A 32 21.146 3.885 5.948 1.00 0.00 H new ATOM 0 HB3 CYS A 32 19.627 3.027 6.109 1.00 0.00 H new ATOM 460 N LYS A 33 21.838 3.058 3.193 1.00 0.00 N ATOM 461 CA LYS A 33 21.692 3.555 1.829 1.00 0.00 C ATOM 462 C LYS A 33 21.758 2.409 0.820 1.00 0.00 C ATOM 463 O LYS A 33 21.135 2.507 -0.233 1.00 0.00 O ATOM 464 CB LYS A 33 22.777 4.605 1.516 1.00 0.00 C ATOM 465 CG LYS A 33 22.936 5.723 2.564 1.00 0.00 C ATOM 466 CD LYS A 33 21.735 6.682 2.660 1.00 0.00 C ATOM 467 CE LYS A 33 21.809 7.611 3.888 1.00 0.00 C ATOM 468 NZ LYS A 33 23.112 8.308 4.018 1.00 0.00 N ATOM 0 H LYS A 33 22.715 3.332 3.635 1.00 0.00 H new ATOM 0 HA LYS A 33 20.714 4.028 1.746 1.00 0.00 H new ATOM 0 HB2 LYS A 33 23.733 4.093 1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 33 22.549 5.062 0.553 1.00 0.00 H new ATOM 0 HG2 LYS A 33 23.101 5.268 3.541 1.00 0.00 H new ATOM 0 HG3 LYS A 33 23.829 6.301 2.327 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.686 7.287 1.755 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.814 6.100 2.705 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.013 8.353 3.822 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.626 7.026 4.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.020 9.093 4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.831 7.639 4.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.400 8.681 3.091 1.00 0.00 H new ATOM 482 N MET A 34 22.487 1.326 1.120 1.00 0.00 N ATOM 483 CA MET A 34 22.662 0.211 0.196 1.00 0.00 C ATOM 484 C MET A 34 21.514 -0.793 0.304 1.00 0.00 C ATOM 485 O MET A 34 21.153 -1.409 -0.694 1.00 0.00 O ATOM 486 CB MET A 34 24.060 -0.414 0.351 1.00 0.00 C ATOM 487 CG MET A 34 24.194 -1.605 1.305 1.00 0.00 C ATOM 488 SD MET A 34 25.914 -1.992 1.731 1.00 0.00 S ATOM 489 CE MET A 34 25.632 -3.320 2.930 1.00 0.00 C ATOM 0 H MET A 34 22.969 1.204 2.010 1.00 0.00 H new ATOM 0 HA MET A 34 22.614 0.589 -0.825 1.00 0.00 H new ATOM 0 HB2 MET A 34 24.399 -0.732 -0.635 1.00 0.00 H new ATOM 0 HB3 MET A 34 24.743 0.366 0.687 1.00 0.00 H new ATOM 0 HG2 MET A 34 23.639 -1.394 2.219 1.00 0.00 H new ATOM 0 HG3 MET A 34 23.734 -2.481 0.848 1.00 0.00 H new ATOM 0 HE1 MET A 34 26.561 -3.538 3.457 1.00 0.00 H new ATOM 0 HE2 MET A 34 24.872 -3.008 3.647 1.00 0.00 H new ATOM 0 HE3 MET A 34 25.293 -4.215 2.409 1.00 0.00 H new ATOM 499 N ILE A 35 20.901 -0.932 1.487 1.00 0.00 N ATOM 500 CA ILE A 35 19.661 -1.697 1.641 1.00 0.00 C ATOM 501 C ILE A 35 18.439 -0.897 1.156 1.00 0.00 C ATOM 502 O ILE A 35 17.435 -1.509 0.815 1.00 0.00 O ATOM 503 CB ILE A 35 19.510 -2.276 3.072 1.00 0.00 C ATOM 504 CG1 ILE A 35 18.366 -3.311 3.165 1.00 0.00 C ATOM 505 CG2 ILE A 35 19.360 -1.172 4.120 1.00 0.00 C ATOM 506 CD1 ILE A 35 18.393 -4.167 4.435 1.00 0.00 C ATOM 0 H ILE A 35 21.248 -0.522 2.354 1.00 0.00 H new ATOM 0 HA ILE A 35 19.720 -2.567 0.987 1.00 0.00 H new ATOM 0 HB ILE A 35 20.436 -2.807 3.293 1.00 0.00 H new ATOM 0 HG12 ILE A 35 17.412 -2.786 3.115 1.00 0.00 H new ATOM 0 HG13 ILE A 35 18.415 -3.968 2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 35 19.257 -1.620 5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 35 20.242 -0.531 4.102 1.00 0.00 H new ATOM 0 HG23 ILE A 35 18.474 -0.577 3.897 1.00 0.00 H new ATOM 0 HD11 ILE A 35 17.557 -4.866 4.420 1.00 0.00 H new ATOM 0 HD12 ILE A 35 19.330 -4.722 4.480 1.00 0.00 H new ATOM 0 HD13 ILE A 35 18.311 -3.522 5.310 1.00 0.00 H new ATOM 518 N ALA A 36 18.487 0.438 1.059 1.00 0.00 N ATOM 519 CA ALA A 36 17.359 1.234 0.566 1.00 0.00 C ATOM 520 C ALA A 36 16.799 0.751 -0.794 1.00 0.00 C ATOM 521 O ALA A 36 15.590 0.520 -0.870 1.00 0.00 O ATOM 522 CB ALA A 36 17.714 2.726 0.544 1.00 0.00 C ATOM 0 H ALA A 36 19.303 0.992 1.318 1.00 0.00 H new ATOM 0 HA ALA A 36 16.545 1.084 1.275 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.862 3.297 0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.962 3.056 1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.570 2.887 -0.111 1.00 0.00 H new ATOM 528 N PRO A 37 17.602 0.514 -1.853 1.00 0.00 N ATOM 529 CA PRO A 37 17.068 -0.037 -3.097 1.00 0.00 C ATOM 530 C PRO A 37 16.553 -1.471 -2.924 1.00 0.00 C ATOM 531 O PRO A 37 15.623 -1.871 -3.620 1.00 0.00 O ATOM 532 CB PRO A 37 18.197 0.057 -4.127 1.00 0.00 C ATOM 533 CG PRO A 37 19.463 0.098 -3.275 1.00 0.00 C ATOM 534 CD PRO A 37 19.008 0.848 -2.025 1.00 0.00 C ATOM 0 HA PRO A 37 16.196 0.528 -3.428 1.00 0.00 H new ATOM 0 HB2 PRO A 37 18.196 -0.799 -4.801 1.00 0.00 H new ATOM 0 HB3 PRO A 37 18.102 0.950 -4.745 1.00 0.00 H new ATOM 0 HG2 PRO A 37 19.823 -0.903 -3.037 1.00 0.00 H new ATOM 0 HG3 PRO A 37 20.276 0.616 -3.784 1.00 0.00 H new ATOM 0 HD2 PRO A 37 19.591 0.547 -1.154 1.00 0.00 H new ATOM 0 HD3 PRO A 37 19.143 1.923 -2.143 1.00 0.00 H new ATOM 542 N VAL A 38 17.106 -2.239 -1.986 1.00 0.00 N ATOM 543 CA VAL A 38 16.618 -3.572 -1.656 1.00 0.00 C ATOM 544 C VAL A 38 15.221 -3.458 -1.021 1.00 0.00 C ATOM 545 O VAL A 38 14.347 -4.252 -1.364 1.00 0.00 O ATOM 546 CB VAL A 38 17.647 -4.321 -0.777 1.00 0.00 C ATOM 547 CG1 VAL A 38 17.267 -5.786 -0.543 1.00 0.00 C ATOM 548 CG2 VAL A 38 19.052 -4.306 -1.404 1.00 0.00 C ATOM 0 H VAL A 38 17.911 -1.949 -1.431 1.00 0.00 H new ATOM 0 HA VAL A 38 16.508 -4.175 -2.557 1.00 0.00 H new ATOM 0 HB VAL A 38 17.647 -3.787 0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 38 18.024 -6.263 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 38 16.300 -5.836 -0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 38 17.206 -6.303 -1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.745 -4.842 -0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 38 19.020 -4.790 -2.380 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.387 -3.275 -1.520 1.00 0.00 H new ATOM 558 N LEU A 39 14.963 -2.457 -0.166 1.00 0.00 N ATOM 559 CA LEU A 39 13.625 -2.167 0.349 1.00 0.00 C ATOM 560 C LEU A 39 12.686 -1.731 -0.772 1.00 0.00 C ATOM 561 O LEU A 39 11.516 -2.100 -0.742 1.00 0.00 O ATOM 562 CB LEU A 39 13.638 -1.082 1.442 1.00 0.00 C ATOM 563 CG LEU A 39 14.366 -1.464 2.743 1.00 0.00 C ATOM 564 CD1 LEU A 39 14.376 -0.263 3.695 1.00 0.00 C ATOM 565 CD2 LEU A 39 13.718 -2.666 3.440 1.00 0.00 C ATOM 0 H LEU A 39 15.683 -1.826 0.186 1.00 0.00 H new ATOM 0 HA LEU A 39 13.264 -3.096 0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.105 -0.185 1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.608 -0.823 1.685 1.00 0.00 H new ATOM 0 HG LEU A 39 15.385 -1.748 2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.892 -0.533 4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 39 14.893 0.572 3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.351 0.028 3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 39 14.267 -2.897 4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.684 -2.428 3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.741 -3.529 2.774 1.00 0.00 H new ATOM 577 N GLU A 40 13.158 -0.971 -1.764 1.00 0.00 N ATOM 578 CA GLU A 40 12.328 -0.629 -2.917 1.00 0.00 C ATOM 579 C GLU A 40 11.970 -1.883 -3.723 1.00 0.00 C ATOM 580 O GLU A 40 10.829 -2.035 -4.165 1.00 0.00 O ATOM 581 CB GLU A 40 12.993 0.436 -3.802 1.00 0.00 C ATOM 582 CG GLU A 40 13.034 1.810 -3.119 1.00 0.00 C ATOM 583 CD GLU A 40 13.626 2.885 -4.048 1.00 0.00 C ATOM 584 OE1 GLU A 40 12.867 3.502 -4.831 1.00 0.00 O ATOM 585 OE2 GLU A 40 14.849 3.144 -3.994 1.00 0.00 O ATOM 0 H GLU A 40 14.102 -0.585 -1.791 1.00 0.00 H new ATOM 0 HA GLU A 40 11.402 -0.196 -2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.008 0.122 -4.046 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.449 0.516 -4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.026 2.100 -2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.629 1.747 -2.208 1.00 0.00 H new ATOM 592 N GLU A 41 12.909 -2.808 -3.912 1.00 0.00 N ATOM 593 CA GLU A 41 12.619 -4.083 -4.557 1.00 0.00 C ATOM 594 C GLU A 41 11.614 -4.881 -3.722 1.00 0.00 C ATOM 595 O GLU A 41 10.681 -5.453 -4.278 1.00 0.00 O ATOM 596 CB GLU A 41 13.899 -4.887 -4.825 1.00 0.00 C ATOM 597 CG GLU A 41 14.713 -4.299 -5.986 1.00 0.00 C ATOM 598 CD GLU A 41 15.948 -5.162 -6.303 1.00 0.00 C ATOM 599 OE1 GLU A 41 17.018 -4.964 -5.685 1.00 0.00 O ATOM 600 OE2 GLU A 41 15.863 -6.036 -7.196 1.00 0.00 O ATOM 0 H GLU A 41 13.881 -2.695 -3.625 1.00 0.00 H new ATOM 0 HA GLU A 41 12.169 -3.879 -5.529 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.512 -4.904 -3.924 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.637 -5.921 -5.052 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.083 -4.224 -6.872 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.030 -3.287 -5.734 1.00 0.00 H new ATOM 607 N LEU A 42 11.751 -4.859 -2.393 1.00 0.00 N ATOM 608 CA LEU A 42 10.817 -5.491 -1.469 1.00 0.00 C ATOM 609 C LEU A 42 9.415 -4.913 -1.675 1.00 0.00 C ATOM 610 O LEU A 42 8.444 -5.657 -1.815 1.00 0.00 O ATOM 611 CB LEU A 42 11.293 -5.268 -0.016 1.00 0.00 C ATOM 612 CG LEU A 42 10.927 -6.376 0.982 1.00 0.00 C ATOM 613 CD1 LEU A 42 9.476 -6.849 0.894 1.00 0.00 C ATOM 614 CD2 LEU A 42 11.844 -7.576 0.776 1.00 0.00 C ATOM 0 H LEU A 42 12.528 -4.393 -1.926 1.00 0.00 H new ATOM 0 HA LEU A 42 10.780 -6.563 -1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.377 -5.153 -0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.875 -4.328 0.344 1.00 0.00 H new ATOM 0 HG LEU A 42 11.055 -5.936 1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.303 -7.632 1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.808 -6.011 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.281 -7.243 -0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.582 -8.360 1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.728 -7.952 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.879 -7.274 0.935 1.00 0.00 H new ATOM 626 N ASP A 43 9.308 -3.587 -1.746 1.00 0.00 N ATOM 627 CA ASP A 43 8.045 -2.889 -1.955 1.00 0.00 C ATOM 628 C ASP A 43 7.392 -3.320 -3.262 1.00 0.00 C ATOM 629 O ASP A 43 6.187 -3.548 -3.317 1.00 0.00 O ATOM 630 CB ASP A 43 8.262 -1.375 -1.994 1.00 0.00 C ATOM 631 CG ASP A 43 6.908 -0.658 -1.980 1.00 0.00 C ATOM 632 OD1 ASP A 43 6.199 -0.758 -0.956 1.00 0.00 O ATOM 633 OD2 ASP A 43 6.574 0.024 -2.976 1.00 0.00 O ATOM 0 H ASP A 43 10.108 -2.961 -1.659 1.00 0.00 H new ATOM 0 HA ASP A 43 7.392 -3.146 -1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.859 -1.061 -1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.820 -1.101 -2.889 1.00 0.00 H new ATOM 638 N GLN A 44 8.200 -3.485 -4.305 1.00 0.00 N ATOM 639 CA GLN A 44 7.731 -3.881 -5.624 1.00 0.00 C ATOM 640 C GLN A 44 7.337 -5.369 -5.684 1.00 0.00 C ATOM 641 O GLN A 44 6.712 -5.789 -6.660 1.00 0.00 O ATOM 642 CB GLN A 44 8.789 -3.499 -6.667 1.00 0.00 C ATOM 643 CG GLN A 44 8.886 -1.968 -6.806 1.00 0.00 C ATOM 644 CD GLN A 44 10.114 -1.565 -7.618 1.00 0.00 C ATOM 645 OE1 GLN A 44 10.055 -1.372 -8.831 1.00 0.00 O ATOM 646 NE2 GLN A 44 11.255 -1.442 -6.962 1.00 0.00 N ATOM 0 H GLN A 44 9.209 -3.345 -4.255 1.00 0.00 H new ATOM 0 HA GLN A 44 6.812 -3.341 -5.852 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.758 -3.905 -6.376 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.534 -3.942 -7.630 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.986 -1.586 -7.288 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.935 -1.513 -5.817 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.285 -1.606 -5.956 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.105 -1.183 -7.462 1.00 0.00 H new ATOM 655 N GLU A 45 7.655 -6.164 -4.657 1.00 0.00 N ATOM 656 CA GLU A 45 7.317 -7.577 -4.560 1.00 0.00 C ATOM 657 C GLU A 45 6.147 -7.816 -3.608 1.00 0.00 C ATOM 658 O GLU A 45 5.324 -8.691 -3.882 1.00 0.00 O ATOM 659 CB GLU A 45 8.559 -8.380 -4.132 1.00 0.00 C ATOM 660 CG GLU A 45 9.536 -8.503 -5.311 1.00 0.00 C ATOM 661 CD GLU A 45 10.604 -9.593 -5.112 1.00 0.00 C ATOM 662 OE1 GLU A 45 11.618 -9.362 -4.413 1.00 0.00 O ATOM 663 OE2 GLU A 45 10.474 -10.682 -5.719 1.00 0.00 O ATOM 0 H GLU A 45 8.172 -5.824 -3.846 1.00 0.00 H new ATOM 0 HA GLU A 45 6.996 -7.921 -5.543 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.049 -7.887 -3.292 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.261 -9.371 -3.790 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.972 -8.719 -6.219 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.031 -7.544 -5.464 1.00 0.00 H new ATOM 670 N MET A 46 6.026 -7.021 -2.539 1.00 0.00 N ATOM 671 CA MET A 46 5.095 -7.302 -1.445 1.00 0.00 C ATOM 672 C MET A 46 4.140 -6.148 -1.156 1.00 0.00 C ATOM 673 O MET A 46 3.246 -6.317 -0.330 1.00 0.00 O ATOM 674 CB MET A 46 5.877 -7.679 -0.176 1.00 0.00 C ATOM 675 CG MET A 46 6.876 -8.826 -0.384 1.00 0.00 C ATOM 676 SD MET A 46 6.206 -10.387 -1.027 1.00 0.00 S ATOM 677 CE MET A 46 5.388 -11.016 0.454 1.00 0.00 C ATOM 0 H MET A 46 6.570 -6.168 -2.410 1.00 0.00 H new ATOM 0 HA MET A 46 4.476 -8.141 -1.764 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.415 -6.801 0.183 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.171 -7.961 0.605 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.652 -8.482 -1.068 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.361 -9.032 0.570 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.921 -11.976 0.232 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.123 -11.145 1.249 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.625 -10.308 0.777 1.00 0.00 H new ATOM 687 N GLY A 47 4.263 -5.000 -1.826 1.00 0.00 N ATOM 688 CA GLY A 47 3.466 -3.797 -1.564 1.00 0.00 C ATOM 689 C GLY A 47 1.958 -3.947 -1.791 1.00 0.00 C ATOM 690 O GLY A 47 1.201 -3.012 -1.530 1.00 0.00 O ATOM 0 H GLY A 47 4.935 -4.877 -2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.632 -3.489 -0.532 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.834 -2.992 -2.200 1.00 0.00 H new ATOM 694 N ASP A 48 1.498 -5.104 -2.268 1.00 0.00 N ATOM 695 CA ASP A 48 0.083 -5.454 -2.327 1.00 0.00 C ATOM 696 C ASP A 48 -0.464 -5.789 -0.934 1.00 0.00 C ATOM 697 O ASP A 48 -1.654 -5.611 -0.675 1.00 0.00 O ATOM 698 CB ASP A 48 -0.130 -6.648 -3.266 1.00 0.00 C ATOM 699 CG ASP A 48 -1.623 -7.001 -3.395 1.00 0.00 C ATOM 700 OD1 ASP A 48 -2.356 -6.278 -4.107 1.00 0.00 O ATOM 701 OD2 ASP A 48 -2.065 -8.010 -2.801 1.00 0.00 O ATOM 0 H ASP A 48 2.111 -5.835 -2.630 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.459 -4.590 -2.711 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.277 -6.416 -4.250 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.419 -7.511 -2.890 1.00 0.00 H new ATOM 706 N LYS A 49 0.392 -6.273 -0.025 1.00 0.00 N ATOM 707 CA LYS A 49 0.019 -6.814 1.287 1.00 0.00 C ATOM 708 C LYS A 49 0.825 -6.164 2.414 1.00 0.00 C ATOM 709 O LYS A 49 0.377 -6.180 3.560 1.00 0.00 O ATOM 710 CB LYS A 49 0.292 -8.334 1.314 1.00 0.00 C ATOM 711 CG LYS A 49 -0.386 -9.184 0.222 1.00 0.00 C ATOM 712 CD LYS A 49 -1.767 -9.758 0.586 1.00 0.00 C ATOM 713 CE LYS A 49 -2.897 -8.756 0.866 1.00 0.00 C ATOM 714 NZ LYS A 49 -3.218 -7.890 -0.293 1.00 0.00 N ATOM 0 H LYS A 49 1.398 -6.299 -0.189 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.039 -6.603 1.442 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.369 -8.486 1.243 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.021 -8.718 2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.491 -8.574 -0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.276 -10.012 -0.032 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.087 -10.408 -0.228 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.648 -10.387 1.468 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.793 -9.303 1.160 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.615 -8.129 1.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.250 -7.793 -0.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.793 -6.951 -0.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.837 -8.317 -1.161 1.00 0.00 H new ATOM 728 N LEU A 50 2.002 -5.611 2.110 1.00 0.00 N ATOM 729 CA LEU A 50 2.979 -5.146 3.083 1.00 0.00 C ATOM 730 C LEU A 50 3.078 -3.623 3.043 1.00 0.00 C ATOM 731 O LEU A 50 2.899 -3.011 1.990 1.00 0.00 O ATOM 732 CB LEU A 50 4.340 -5.778 2.725 1.00 0.00 C ATOM 733 CG LEU A 50 5.487 -5.499 3.713 1.00 0.00 C ATOM 734 CD1 LEU A 50 5.209 -6.124 5.080 1.00 0.00 C ATOM 735 CD2 LEU A 50 6.793 -6.052 3.145 1.00 0.00 C ATOM 0 H LEU A 50 2.306 -5.473 1.146 1.00 0.00 H new ATOM 0 HA LEU A 50 2.680 -5.437 4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.209 -6.857 2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.638 -5.419 1.740 1.00 0.00 H new ATOM 0 HG LEU A 50 5.569 -4.421 3.848 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.038 -5.908 5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.290 -5.707 5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.101 -7.203 4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.606 -5.855 3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.697 -7.127 2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.009 -5.569 2.192 1.00 0.00 H new ATOM 747 N LYS A 51 3.434 -3.023 4.178 1.00 0.00 N ATOM 748 CA LYS A 51 3.820 -1.622 4.300 1.00 0.00 C ATOM 749 C LYS A 51 5.254 -1.637 4.813 1.00 0.00 C ATOM 750 O LYS A 51 5.588 -2.493 5.636 1.00 0.00 O ATOM 751 CB LYS A 51 2.873 -0.916 5.285 1.00 0.00 C ATOM 752 CG LYS A 51 3.161 0.589 5.431 1.00 0.00 C ATOM 753 CD LYS A 51 2.397 1.219 6.602 1.00 0.00 C ATOM 754 CE LYS A 51 0.878 1.200 6.394 1.00 0.00 C ATOM 755 NZ LYS A 51 0.186 1.835 7.531 1.00 0.00 N ATOM 0 H LYS A 51 3.462 -3.519 5.069 1.00 0.00 H new ATOM 0 HA LYS A 51 3.755 -1.081 3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.845 -1.052 4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.956 -1.392 6.262 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.231 0.739 5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.890 1.099 4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.641 0.684 7.520 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.729 2.249 6.735 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.626 1.723 5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.535 0.172 6.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.842 1.796 7.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.424 1.330 8.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.487 2.827 7.610 1.00 0.00 H new ATOM 769 N ILE A 52 6.082 -0.692 4.380 1.00 0.00 N ATOM 770 CA ILE A 52 7.449 -0.548 4.869 1.00 0.00 C ATOM 771 C ILE A 52 7.492 0.815 5.556 1.00 0.00 C ATOM 772 O ILE A 52 6.917 1.769 5.035 1.00 0.00 O ATOM 773 CB ILE A 52 8.463 -0.729 3.712 1.00 0.00 C ATOM 774 CG1 ILE A 52 8.330 -2.147 3.100 1.00 0.00 C ATOM 775 CG2 ILE A 52 9.909 -0.469 4.180 1.00 0.00 C ATOM 776 CD1 ILE A 52 9.254 -2.422 1.908 1.00 0.00 C ATOM 0 H ILE A 52 5.822 -0.001 3.676 1.00 0.00 H new ATOM 0 HA ILE A 52 7.737 -1.316 5.586 1.00 0.00 H new ATOM 0 HB ILE A 52 8.232 0.009 2.944 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.534 -2.883 3.877 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.298 -2.295 2.783 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.593 -0.605 3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.992 0.551 4.554 1.00 0.00 H new ATOM 0 HG23 ILE A 52 10.166 -1.169 4.975 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.090 -3.437 1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.037 -1.714 1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.293 -2.311 2.219 1.00 0.00 H new ATOM 788 N VAL A 53 8.124 0.921 6.726 1.00 0.00 N ATOM 789 CA VAL A 53 8.041 2.119 7.566 1.00 0.00 C ATOM 790 C VAL A 53 9.451 2.495 8.019 1.00 0.00 C ATOM 791 O VAL A 53 9.981 1.939 8.980 1.00 0.00 O ATOM 792 CB VAL A 53 7.052 1.884 8.735 1.00 0.00 C ATOM 793 CG1 VAL A 53 6.991 3.082 9.693 1.00 0.00 C ATOM 794 CG2 VAL A 53 5.624 1.646 8.220 1.00 0.00 C ATOM 0 H VAL A 53 8.707 0.181 7.118 1.00 0.00 H new ATOM 0 HA VAL A 53 7.642 2.965 7.007 1.00 0.00 H new ATOM 0 HB VAL A 53 7.426 1.006 9.261 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.285 2.870 10.496 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.979 3.260 10.117 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.666 3.968 9.148 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.955 1.484 9.065 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.291 2.517 7.655 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.612 0.768 7.574 1.00 0.00 H new ATOM 804 N LYS A 54 10.086 3.434 7.323 1.00 0.00 N ATOM 805 CA LYS A 54 11.396 3.926 7.735 1.00 0.00 C ATOM 806 C LYS A 54 11.191 4.824 8.957 1.00 0.00 C ATOM 807 O LYS A 54 10.238 5.609 8.984 1.00 0.00 O ATOM 808 CB LYS A 54 12.079 4.664 6.573 1.00 0.00 C ATOM 809 CG LYS A 54 12.294 3.763 5.342 1.00 0.00 C ATOM 810 CD LYS A 54 12.978 4.489 4.174 1.00 0.00 C ATOM 811 CE LYS A 54 14.332 5.127 4.525 1.00 0.00 C ATOM 812 NZ LYS A 54 15.400 4.132 4.805 1.00 0.00 N ATOM 0 H LYS A 54 9.717 3.867 6.476 1.00 0.00 H new ATOM 0 HA LYS A 54 12.058 3.104 8.006 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.473 5.524 6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.042 5.050 6.909 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.898 2.903 5.630 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.330 3.379 5.008 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.125 3.781 3.359 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.309 5.266 3.804 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.648 5.766 3.701 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.207 5.770 5.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.244 4.621 5.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.064 3.453 5.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.640 3.625 3.929 1.00 0.00 H new ATOM 826 N ILE A 55 12.066 4.742 9.958 1.00 0.00 N ATOM 827 CA ILE A 55 11.997 5.572 11.158 1.00 0.00 C ATOM 828 C ILE A 55 13.420 5.974 11.562 1.00 0.00 C ATOM 829 O ILE A 55 14.333 5.142 11.618 1.00 0.00 O ATOM 830 CB ILE A 55 11.155 4.885 12.264 1.00 0.00 C ATOM 831 CG1 ILE A 55 11.143 5.747 13.546 1.00 0.00 C ATOM 832 CG2 ILE A 55 11.589 3.437 12.564 1.00 0.00 C ATOM 833 CD1 ILE A 55 10.002 5.405 14.512 1.00 0.00 C ATOM 0 H ILE A 55 12.851 4.090 9.958 1.00 0.00 H new ATOM 0 HA ILE A 55 11.461 6.501 10.965 1.00 0.00 H new ATOM 0 HB ILE A 55 10.139 4.809 11.877 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.094 5.624 14.064 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.066 6.797 13.265 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.955 3.022 13.347 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.492 2.834 11.661 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.627 3.430 12.896 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.060 6.052 15.387 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.045 5.556 14.013 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.089 4.364 14.824 1.00 0.00 H new ATOM 845 N ASP A 56 13.596 7.282 11.772 1.00 0.00 N ATOM 846 CA ASP A 56 14.892 7.931 11.947 1.00 0.00 C ATOM 847 C ASP A 56 15.299 7.900 13.419 1.00 0.00 C ATOM 848 O ASP A 56 14.737 8.641 14.231 1.00 0.00 O ATOM 849 CB ASP A 56 14.830 9.375 11.433 1.00 0.00 C ATOM 850 CG ASP A 56 16.165 10.129 11.586 1.00 0.00 C ATOM 851 OD1 ASP A 56 17.170 9.538 12.037 1.00 0.00 O ATOM 852 OD2 ASP A 56 16.198 11.326 11.215 1.00 0.00 O ATOM 0 H ASP A 56 12.815 7.935 11.826 1.00 0.00 H new ATOM 0 HA ASP A 56 15.642 7.391 11.370 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.542 9.368 10.382 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.051 9.914 11.973 1.00 0.00 H new ATOM 857 N VAL A 57 16.250 7.046 13.791 1.00 0.00 N ATOM 858 CA VAL A 57 16.680 6.889 15.178 1.00 0.00 C ATOM 859 C VAL A 57 17.290 8.174 15.751 1.00 0.00 C ATOM 860 O VAL A 57 17.317 8.318 16.973 1.00 0.00 O ATOM 861 CB VAL A 57 17.608 5.666 15.351 1.00 0.00 C ATOM 862 CG1 VAL A 57 16.902 4.381 14.896 1.00 0.00 C ATOM 863 CG2 VAL A 57 18.956 5.779 14.626 1.00 0.00 C ATOM 0 H VAL A 57 16.746 6.441 13.136 1.00 0.00 H new ATOM 0 HA VAL A 57 15.785 6.693 15.768 1.00 0.00 H new ATOM 0 HB VAL A 57 17.829 5.632 16.418 1.00 0.00 H new ATOM 0 HG11 VAL A 57 17.573 3.532 15.026 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.003 4.228 15.494 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.628 4.469 13.845 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.541 4.877 14.803 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.785 5.897 13.556 1.00 0.00 H new ATOM 0 HG23 VAL A 57 19.501 6.644 15.003 1.00 0.00 H new ATOM 873 N ASP A 58 17.718 9.136 14.923 1.00 0.00 N ATOM 874 CA ASP A 58 18.244 10.419 15.402 1.00 0.00 C ATOM 875 C ASP A 58 17.158 11.273 16.069 1.00 0.00 C ATOM 876 O ASP A 58 17.474 12.181 16.840 1.00 0.00 O ATOM 877 CB ASP A 58 18.903 11.203 14.261 1.00 0.00 C ATOM 878 CG ASP A 58 19.612 12.466 14.777 1.00 0.00 C ATOM 879 OD1 ASP A 58 20.600 12.343 15.537 1.00 0.00 O ATOM 880 OD2 ASP A 58 19.227 13.591 14.382 1.00 0.00 O ATOM 0 H ASP A 58 17.709 9.047 13.907 1.00 0.00 H new ATOM 0 HA ASP A 58 18.998 10.190 16.155 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.623 10.565 13.749 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.147 11.483 13.528 1.00 0.00 H new ATOM 885 N GLU A 59 15.877 10.940 15.865 1.00 0.00 N ATOM 886 CA GLU A 59 14.738 11.640 16.464 1.00 0.00 C ATOM 887 C GLU A 59 13.789 10.672 17.195 1.00 0.00 C ATOM 888 O GLU A 59 12.777 11.111 17.741 1.00 0.00 O ATOM 889 CB GLU A 59 13.991 12.436 15.378 1.00 0.00 C ATOM 890 CG GLU A 59 14.841 13.559 14.766 1.00 0.00 C ATOM 891 CD GLU A 59 13.993 14.498 13.890 1.00 0.00 C ATOM 892 OE1 GLU A 59 13.737 14.183 12.705 1.00 0.00 O ATOM 893 OE2 GLU A 59 13.578 15.577 14.373 1.00 0.00 O ATOM 0 H GLU A 59 15.600 10.161 15.267 1.00 0.00 H new ATOM 0 HA GLU A 59 15.118 12.332 17.215 1.00 0.00 H new ATOM 0 HB2 GLU A 59 13.676 11.755 14.588 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.086 12.866 15.808 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.315 14.133 15.562 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.641 13.125 14.166 1.00 0.00 H new ATOM 900 N ASN A 60 14.097 9.367 17.225 1.00 0.00 N ATOM 901 CA ASN A 60 13.174 8.321 17.687 1.00 0.00 C ATOM 902 C ASN A 60 13.894 7.296 18.565 1.00 0.00 C ATOM 903 O ASN A 60 13.656 6.089 18.458 1.00 0.00 O ATOM 904 CB ASN A 60 12.451 7.670 16.495 1.00 0.00 C ATOM 905 CG ASN A 60 11.576 8.669 15.749 1.00 0.00 C ATOM 906 OD1 ASN A 60 10.480 9.003 16.184 1.00 0.00 O ATOM 907 ND2 ASN A 60 12.038 9.184 14.624 1.00 0.00 N ATOM 0 H ASN A 60 15.003 9.005 16.926 1.00 0.00 H new ATOM 0 HA ASN A 60 12.411 8.784 18.312 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.187 7.249 15.810 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.836 6.843 16.850 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.481 9.866 14.109 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.951 8.900 14.270 1.00 0.00 H new ATOM 914 N GLN A 61 14.785 7.771 19.445 1.00 0.00 N ATOM 915 CA GLN A 61 15.468 6.930 20.425 1.00 0.00 C ATOM 916 C GLN A 61 14.477 6.127 21.273 1.00 0.00 C ATOM 917 O GLN A 61 14.797 5.015 21.681 1.00 0.00 O ATOM 918 CB GLN A 61 16.353 7.767 21.364 1.00 0.00 C ATOM 919 CG GLN A 61 17.487 8.517 20.651 1.00 0.00 C ATOM 920 CD GLN A 61 17.127 9.955 20.283 1.00 0.00 C ATOM 921 OE1 GLN A 61 16.938 10.818 21.137 1.00 0.00 O ATOM 922 NE2 GLN A 61 17.029 10.241 18.999 1.00 0.00 N ATOM 0 H GLN A 61 15.051 8.755 19.494 1.00 0.00 H new ATOM 0 HA GLN A 61 16.091 6.241 19.855 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.727 8.489 21.888 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.784 7.111 22.120 1.00 0.00 H new ATOM 0 HG2 GLN A 61 18.368 8.524 21.293 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.757 7.975 19.745 1.00 0.00 H new ATOM 0 HE21 GLN A 61 17.189 9.514 18.301 1.00 0.00 H new ATOM 0 HE22 GLN A 61 16.794 11.189 18.704 1.00 0.00 H new ATOM 931 N GLU A 62 13.285 6.668 21.541 1.00 0.00 N ATOM 932 CA GLU A 62 12.295 6.003 22.379 1.00 0.00 C ATOM 933 C GLU A 62 11.787 4.729 21.700 1.00 0.00 C ATOM 934 O GLU A 62 11.773 3.668 22.323 1.00 0.00 O ATOM 935 CB GLU A 62 11.136 6.959 22.706 1.00 0.00 C ATOM 936 CG GLU A 62 11.591 8.127 23.594 1.00 0.00 C ATOM 937 CD GLU A 62 10.414 9.038 23.985 1.00 0.00 C ATOM 938 OE1 GLU A 62 9.736 8.765 25.002 1.00 0.00 O ATOM 939 OE2 GLU A 62 10.172 10.057 23.300 1.00 0.00 O ATOM 0 H GLU A 62 12.984 7.575 21.183 1.00 0.00 H new ATOM 0 HA GLU A 62 12.769 5.717 23.318 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.715 7.350 21.780 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.342 6.408 23.210 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.063 7.736 24.495 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.345 8.712 23.067 1.00 0.00 H new ATOM 946 N THR A 63 11.425 4.797 20.416 1.00 0.00 N ATOM 947 CA THR A 63 10.917 3.649 19.679 1.00 0.00 C ATOM 948 C THR A 63 12.046 2.632 19.469 1.00 0.00 C ATOM 949 O THR A 63 11.833 1.434 19.603 1.00 0.00 O ATOM 950 CB THR A 63 10.344 4.101 18.328 1.00 0.00 C ATOM 951 OG1 THR A 63 9.911 5.447 18.350 1.00 0.00 O ATOM 952 CG2 THR A 63 9.201 3.221 17.824 1.00 0.00 C ATOM 0 H THR A 63 11.478 5.652 19.863 1.00 0.00 H new ATOM 0 HA THR A 63 10.118 3.178 20.252 1.00 0.00 H new ATOM 0 HB THR A 63 11.179 4.001 17.635 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.383 5.607 19.160 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.846 3.600 16.866 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.557 2.198 17.701 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.384 3.237 18.546 1.00 0.00 H new ATOM 960 N ALA A 64 13.268 3.091 19.186 1.00 0.00 N ATOM 961 CA ALA A 64 14.440 2.228 19.103 1.00 0.00 C ATOM 962 C ALA A 64 14.656 1.488 20.429 1.00 0.00 C ATOM 963 O ALA A 64 14.783 0.262 20.447 1.00 0.00 O ATOM 964 CB ALA A 64 15.656 3.084 18.720 1.00 0.00 C ATOM 0 H ALA A 64 13.469 4.075 19.008 1.00 0.00 H new ATOM 0 HA ALA A 64 14.293 1.467 18.336 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.541 2.451 18.654 1.00 0.00 H new ATOM 0 HB2 ALA A 64 15.477 3.559 17.755 1.00 0.00 H new ATOM 0 HB3 ALA A 64 15.814 3.851 19.478 1.00 0.00 H new ATOM 970 N GLY A 65 14.619 2.216 21.547 1.00 0.00 N ATOM 971 CA GLY A 65 14.763 1.665 22.887 1.00 0.00 C ATOM 972 C GLY A 65 13.651 0.673 23.225 1.00 0.00 C ATOM 973 O GLY A 65 13.891 -0.276 23.972 1.00 0.00 O ATOM 0 H GLY A 65 14.485 3.227 21.541 1.00 0.00 H new ATOM 0 HA2 GLY A 65 15.729 1.168 22.972 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.757 2.477 23.614 1.00 0.00 H new ATOM 977 N LYS A 66 12.463 0.831 22.627 1.00 0.00 N ATOM 978 CA LYS A 66 11.313 -0.051 22.809 1.00 0.00 C ATOM 979 C LYS A 66 11.660 -1.507 22.486 1.00 0.00 C ATOM 980 O LYS A 66 11.086 -2.408 23.100 1.00 0.00 O ATOM 981 CB LYS A 66 10.143 0.457 21.950 1.00 0.00 C ATOM 982 CG LYS A 66 8.788 -0.052 22.462 1.00 0.00 C ATOM 983 CD LYS A 66 7.644 0.724 21.805 1.00 0.00 C ATOM 984 CE LYS A 66 6.287 0.162 22.255 1.00 0.00 C ATOM 985 NZ LYS A 66 5.146 0.914 21.673 1.00 0.00 N ATOM 0 H LYS A 66 12.275 1.601 21.985 1.00 0.00 H new ATOM 0 HA LYS A 66 11.016 -0.031 23.858 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.143 1.547 21.947 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.285 0.135 20.918 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.686 -1.115 22.245 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.736 0.059 23.545 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.713 1.779 22.069 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.729 0.661 20.720 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.215 -0.886 21.964 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.225 0.196 23.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.252 0.499 22.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.198 1.909 21.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.189 0.861 20.635 1.00 0.00 H new ATOM 999 N TYR A 67 12.624 -1.739 21.585 1.00 0.00 N ATOM 1000 CA TYR A 67 13.068 -3.081 21.193 1.00 0.00 C ATOM 1001 C TYR A 67 14.576 -3.272 21.419 1.00 0.00 C ATOM 1002 O TYR A 67 15.148 -4.259 20.954 1.00 0.00 O ATOM 1003 CB TYR A 67 12.674 -3.364 19.733 1.00 0.00 C ATOM 1004 CG TYR A 67 11.401 -2.682 19.277 1.00 0.00 C ATOM 1005 CD1 TYR A 67 10.148 -3.111 19.754 1.00 0.00 C ATOM 1006 CD2 TYR A 67 11.491 -1.537 18.467 1.00 0.00 C ATOM 1007 CE1 TYR A 67 8.983 -2.399 19.414 1.00 0.00 C ATOM 1008 CE2 TYR A 67 10.338 -0.815 18.140 1.00 0.00 C ATOM 1009 CZ TYR A 67 9.074 -1.242 18.606 1.00 0.00 C ATOM 1010 OH TYR A 67 7.959 -0.523 18.298 1.00 0.00 O ATOM 0 H TYR A 67 13.122 -0.991 21.103 1.00 0.00 H new ATOM 0 HA TYR A 67 12.563 -3.806 21.832 1.00 0.00 H new ATOM 0 HB2 TYR A 67 13.491 -3.050 19.083 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.560 -4.440 19.604 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.081 -3.987 20.381 1.00 0.00 H new ATOM 0 HD2 TYR A 67 12.452 -1.214 18.096 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.020 -2.736 19.770 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.414 0.072 17.529 1.00 0.00 H new ATOM 0 HH TYR A 67 8.128 0.015 17.497 1.00 0.00 H new ATOM 1020 N GLY A 68 15.233 -2.336 22.115 1.00 0.00 N ATOM 1021 CA GLY A 68 16.668 -2.369 22.366 1.00 0.00 C ATOM 1022 C GLY A 68 17.504 -2.226 21.088 1.00 0.00 C ATOM 1023 O GLY A 68 18.622 -2.741 21.037 1.00 0.00 O ATOM 0 H GLY A 68 14.770 -1.524 22.523 1.00 0.00 H new ATOM 0 HA2 GLY A 68 16.929 -1.566 23.056 1.00 0.00 H new ATOM 0 HA3 GLY A 68 16.924 -3.308 22.858 1.00 0.00 H new ATOM 1027 N VAL A 69 16.980 -1.561 20.052 1.00 0.00 N ATOM 1028 CA VAL A 69 17.745 -1.215 18.858 1.00 0.00 C ATOM 1029 C VAL A 69 18.872 -0.273 19.304 1.00 0.00 C ATOM 1030 O VAL A 69 18.618 0.732 19.974 1.00 0.00 O ATOM 1031 CB VAL A 69 16.825 -0.579 17.788 1.00 0.00 C ATOM 1032 CG1 VAL A 69 17.593 -0.228 16.506 1.00 0.00 C ATOM 1033 CG2 VAL A 69 15.645 -1.493 17.422 1.00 0.00 C ATOM 0 H VAL A 69 16.010 -1.248 20.022 1.00 0.00 H new ATOM 0 HA VAL A 69 18.177 -2.099 18.389 1.00 0.00 H new ATOM 0 HB VAL A 69 16.440 0.336 18.238 1.00 0.00 H new ATOM 0 HG11 VAL A 69 16.909 0.216 15.782 1.00 0.00 H new ATOM 0 HG12 VAL A 69 18.385 0.483 16.740 1.00 0.00 H new ATOM 0 HG13 VAL A 69 18.030 -1.133 16.084 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.027 -1.005 16.668 1.00 0.00 H new ATOM 0 HG22 VAL A 69 16.024 -2.435 17.026 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.046 -1.688 18.312 1.00 0.00 H new ATOM 1043 N MET A 70 20.112 -0.607 18.935 1.00 0.00 N ATOM 1044 CA MET A 70 21.321 0.127 19.319 1.00 0.00 C ATOM 1045 C MET A 70 22.280 0.279 18.122 1.00 0.00 C ATOM 1046 O MET A 70 23.338 0.899 18.245 1.00 0.00 O ATOM 1047 CB MET A 70 21.964 -0.608 20.511 1.00 0.00 C ATOM 1048 CG MET A 70 22.984 0.238 21.284 1.00 0.00 C ATOM 1049 SD MET A 70 23.620 -0.568 22.780 1.00 0.00 S ATOM 1050 CE MET A 70 24.748 0.728 23.362 1.00 0.00 C ATOM 0 H MET A 70 20.308 -1.416 18.346 1.00 0.00 H new ATOM 0 HA MET A 70 21.073 1.143 19.625 1.00 0.00 H new ATOM 0 HB2 MET A 70 21.178 -0.927 21.195 1.00 0.00 H new ATOM 0 HB3 MET A 70 22.456 -1.510 20.147 1.00 0.00 H new ATOM 0 HG2 MET A 70 23.820 0.473 20.626 1.00 0.00 H new ATOM 0 HG3 MET A 70 22.521 1.185 21.562 1.00 0.00 H new ATOM 0 HE1 MET A 70 25.232 0.402 24.282 1.00 0.00 H new ATOM 0 HE2 MET A 70 25.505 0.920 22.602 1.00 0.00 H new ATOM 0 HE3 MET A 70 24.185 1.642 23.552 1.00 0.00 H new ATOM 1060 N SER A 71 21.894 -0.243 16.954 1.00 0.00 N ATOM 1061 CA SER A 71 22.635 -0.209 15.705 1.00 0.00 C ATOM 1062 C SER A 71 21.622 -0.075 14.566 1.00 0.00 C ATOM 1063 O SER A 71 20.435 -0.359 14.760 1.00 0.00 O ATOM 1064 CB SER A 71 23.458 -1.500 15.547 1.00 0.00 C ATOM 1065 OG SER A 71 24.318 -1.724 16.656 1.00 0.00 O ATOM 0 H SER A 71 21.002 -0.728 16.857 1.00 0.00 H new ATOM 0 HA SER A 71 23.328 0.633 15.691 1.00 0.00 H new ATOM 0 HB2 SER A 71 22.783 -2.348 15.435 1.00 0.00 H new ATOM 0 HB3 SER A 71 24.051 -1.442 14.634 1.00 0.00 H new ATOM 0 HG SER A 71 24.821 -2.553 16.517 1.00 0.00 H new ATOM 1071 N ILE A 72 22.078 0.329 13.380 1.00 0.00 N ATOM 1072 CA ILE A 72 21.263 0.468 12.175 1.00 0.00 C ATOM 1073 C ILE A 72 22.105 0.029 10.957 1.00 0.00 C ATOM 1074 O ILE A 72 23.337 0.082 11.047 1.00 0.00 O ATOM 1075 CB ILE A 72 20.727 1.914 12.029 1.00 0.00 C ATOM 1076 CG1 ILE A 72 21.850 2.978 11.996 1.00 0.00 C ATOM 1077 CG2 ILE A 72 19.695 2.236 13.128 1.00 0.00 C ATOM 1078 CD1 ILE A 72 21.351 4.368 11.588 1.00 0.00 C ATOM 0 H ILE A 72 23.056 0.576 13.228 1.00 0.00 H new ATOM 0 HA ILE A 72 20.385 -0.175 12.243 1.00 0.00 H new ATOM 0 HB ILE A 72 20.231 1.960 11.060 1.00 0.00 H new ATOM 0 HG12 ILE A 72 22.313 3.040 12.981 1.00 0.00 H new ATOM 0 HG13 ILE A 72 22.625 2.658 11.299 1.00 0.00 H new ATOM 0 HG21 ILE A 72 19.335 3.257 13.001 1.00 0.00 H new ATOM 0 HG22 ILE A 72 18.856 1.544 13.053 1.00 0.00 H new ATOM 0 HG23 ILE A 72 20.163 2.135 14.107 1.00 0.00 H new ATOM 0 HD11 ILE A 72 22.187 5.068 11.584 1.00 0.00 H new ATOM 0 HD12 ILE A 72 20.914 4.319 10.591 1.00 0.00 H new ATOM 0 HD13 ILE A 72 20.597 4.707 12.298 1.00 0.00 H new ATOM 1090 N PRO A 73 21.503 -0.386 9.823 1.00 0.00 N ATOM 1091 CA PRO A 73 20.072 -0.590 9.621 1.00 0.00 C ATOM 1092 C PRO A 73 19.574 -1.757 10.474 1.00 0.00 C ATOM 1093 O PRO A 73 20.254 -2.780 10.588 1.00 0.00 O ATOM 1094 CB PRO A 73 19.899 -0.884 8.127 1.00 0.00 C ATOM 1095 CG PRO A 73 21.243 -1.478 7.709 1.00 0.00 C ATOM 1096 CD PRO A 73 22.240 -0.774 8.628 1.00 0.00 C ATOM 0 HA PRO A 73 19.492 0.283 9.919 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.081 -1.583 7.950 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.671 0.022 7.566 1.00 0.00 H new ATOM 0 HG2 PRO A 73 21.265 -2.559 7.845 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.459 -1.285 6.658 1.00 0.00 H new ATOM 0 HD2 PRO A 73 23.068 -1.436 8.881 1.00 0.00 H new ATOM 0 HD3 PRO A 73 22.669 0.099 8.137 1.00 0.00 H new ATOM 1104 N THR A 74 18.382 -1.610 11.043 1.00 0.00 N ATOM 1105 CA THR A 74 17.742 -2.661 11.825 1.00 0.00 C ATOM 1106 C THR A 74 16.283 -2.730 11.389 1.00 0.00 C ATOM 1107 O THR A 74 15.640 -1.697 11.199 1.00 0.00 O ATOM 1108 CB THR A 74 17.940 -2.372 13.323 1.00 0.00 C ATOM 1109 OG1 THR A 74 19.309 -2.513 13.637 1.00 0.00 O ATOM 1110 CG2 THR A 74 17.155 -3.328 14.225 1.00 0.00 C ATOM 0 H THR A 74 17.831 -0.755 10.974 1.00 0.00 H new ATOM 0 HA THR A 74 18.185 -3.642 11.653 1.00 0.00 H new ATOM 0 HB THR A 74 17.576 -1.360 13.503 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.588 -1.777 14.220 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.336 -3.073 15.269 1.00 0.00 H new ATOM 0 HG22 THR A 74 16.090 -3.240 14.009 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.480 -4.352 14.040 1.00 0.00 H new ATOM 1118 N LEU A 75 15.764 -3.940 11.192 1.00 0.00 N ATOM 1119 CA LEU A 75 14.447 -4.171 10.628 1.00 0.00 C ATOM 1120 C LEU A 75 13.594 -4.830 11.698 1.00 0.00 C ATOM 1121 O LEU A 75 14.024 -5.811 12.311 1.00 0.00 O ATOM 1122 CB LEU A 75 14.497 -5.056 9.374 1.00 0.00 C ATOM 1123 CG LEU A 75 15.202 -4.482 8.129 1.00 0.00 C ATOM 1124 CD1 LEU A 75 14.955 -2.998 7.864 1.00 0.00 C ATOM 1125 CD2 LEU A 75 16.710 -4.771 8.122 1.00 0.00 C ATOM 0 H LEU A 75 16.261 -4.800 11.426 1.00 0.00 H new ATOM 0 HA LEU A 75 14.022 -3.216 10.318 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.991 -5.990 9.640 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.473 -5.305 9.096 1.00 0.00 H new ATOM 0 HG LEU A 75 14.728 -5.018 7.307 1.00 0.00 H new ATOM 0 HD11 LEU A 75 15.495 -2.694 6.967 1.00 0.00 H new ATOM 0 HD12 LEU A 75 13.888 -2.827 7.721 1.00 0.00 H new ATOM 0 HD13 LEU A 75 15.306 -2.413 8.714 1.00 0.00 H new ATOM 0 HD21 LEU A 75 17.158 -4.345 7.224 1.00 0.00 H new ATOM 0 HD22 LEU A 75 17.170 -4.325 9.004 1.00 0.00 H new ATOM 0 HD23 LEU A 75 16.874 -5.849 8.133 1.00 0.00 H new ATOM 1137 N LEU A 76 12.381 -4.325 11.903 1.00 0.00 N ATOM 1138 CA LEU A 76 11.422 -4.880 12.854 1.00 0.00 C ATOM 1139 C LEU A 76 10.234 -5.242 11.989 1.00 0.00 C ATOM 1140 O LEU A 76 9.699 -4.380 11.295 1.00 0.00 O ATOM 1141 CB LEU A 76 11.023 -3.847 13.934 1.00 0.00 C ATOM 1142 CG LEU A 76 11.948 -3.665 15.157 1.00 0.00 C ATOM 1143 CD1 LEU A 76 11.888 -4.887 16.076 1.00 0.00 C ATOM 1144 CD2 LEU A 76 13.407 -3.399 14.784 1.00 0.00 C ATOM 0 H LEU A 76 12.031 -3.506 11.406 1.00 0.00 H new ATOM 0 HA LEU A 76 11.827 -5.729 13.405 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.925 -2.878 13.445 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.034 -4.119 14.304 1.00 0.00 H new ATOM 0 HG LEU A 76 11.573 -2.782 15.675 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.548 -4.733 16.929 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.866 -5.027 16.429 1.00 0.00 H new ATOM 0 HD13 LEU A 76 12.207 -5.772 15.526 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.999 -3.281 15.692 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.793 -4.238 14.205 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.470 -2.488 14.189 1.00 0.00 H new ATOM 1156 N VAL A 77 9.832 -6.505 11.993 1.00 0.00 N ATOM 1157 CA VAL A 77 8.608 -6.917 11.331 1.00 0.00 C ATOM 1158 C VAL A 77 7.568 -6.837 12.436 1.00 0.00 C ATOM 1159 O VAL A 77 7.744 -7.462 13.486 1.00 0.00 O ATOM 1160 CB VAL A 77 8.726 -8.333 10.738 1.00 0.00 C ATOM 1161 CG1 VAL A 77 7.559 -8.611 9.779 1.00 0.00 C ATOM 1162 CG2 VAL A 77 10.047 -8.573 9.985 1.00 0.00 C ATOM 0 H VAL A 77 10.340 -7.263 12.450 1.00 0.00 H new ATOM 0 HA VAL A 77 8.355 -6.292 10.475 1.00 0.00 H new ATOM 0 HB VAL A 77 8.701 -9.014 11.589 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.657 -9.616 9.368 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.616 -8.531 10.320 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.574 -7.884 8.967 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.063 -9.590 9.594 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.129 -7.865 9.160 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.885 -8.434 10.668 1.00 0.00 H new ATOM 1172 N LEU A 78 6.505 -6.067 12.230 1.00 0.00 N ATOM 1173 CA LEU A 78 5.396 -5.962 13.156 1.00 0.00 C ATOM 1174 C LEU A 78 4.181 -6.572 12.476 1.00 0.00 C ATOM 1175 O LEU A 78 4.103 -6.611 11.248 1.00 0.00 O ATOM 1176 CB LEU A 78 5.134 -4.501 13.584 1.00 0.00 C ATOM 1177 CG LEU A 78 6.272 -3.884 14.431 1.00 0.00 C ATOM 1178 CD1 LEU A 78 7.298 -3.138 13.570 1.00 0.00 C ATOM 1179 CD2 LEU A 78 5.732 -2.921 15.493 1.00 0.00 C ATOM 0 H LEU A 78 6.393 -5.489 11.397 1.00 0.00 H new ATOM 0 HA LEU A 78 5.627 -6.499 14.076 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.987 -3.892 12.692 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.206 -4.460 14.155 1.00 0.00 H new ATOM 0 HG LEU A 78 6.764 -4.725 14.919 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.077 -2.723 14.210 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.745 -3.830 12.856 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.802 -2.330 13.031 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.562 -2.509 16.066 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.189 -2.110 15.007 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.060 -3.458 16.162 1.00 0.00 H new ATOM 1191 N LYS A 79 3.222 -7.030 13.271 1.00 0.00 N ATOM 1192 CA LYS A 79 1.936 -7.520 12.814 1.00 0.00 C ATOM 1193 C LYS A 79 0.906 -6.913 13.747 1.00 0.00 C ATOM 1194 O LYS A 79 1.015 -7.078 14.961 1.00 0.00 O ATOM 1195 CB LYS A 79 1.916 -9.056 12.840 1.00 0.00 C ATOM 1196 CG LYS A 79 0.603 -9.633 12.291 1.00 0.00 C ATOM 1197 CD LYS A 79 0.584 -11.164 12.403 1.00 0.00 C ATOM 1198 CE LYS A 79 -0.746 -11.784 11.943 1.00 0.00 C ATOM 1199 NZ LYS A 79 -0.961 -11.688 10.477 1.00 0.00 N ATOM 0 H LYS A 79 3.326 -7.070 14.285 1.00 0.00 H new ATOM 0 HA LYS A 79 1.724 -7.235 11.783 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.751 -9.438 12.253 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.062 -9.401 13.863 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.240 -9.214 12.841 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.481 -9.340 11.248 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.397 -11.577 11.805 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.773 -11.449 13.438 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.772 -12.833 12.239 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.568 -11.287 12.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.857 -12.153 10.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.000 -10.687 10.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.177 -12.157 9.980 1.00 0.00 H new ATOM 1213 N ASP A 80 -0.077 -6.214 13.180 1.00 0.00 N ATOM 1214 CA ASP A 80 -1.205 -5.621 13.905 1.00 0.00 C ATOM 1215 C ASP A 80 -0.741 -4.779 15.115 1.00 0.00 C ATOM 1216 O ASP A 80 -1.386 -4.744 16.163 1.00 0.00 O ATOM 1217 CB ASP A 80 -2.224 -6.722 14.256 1.00 0.00 C ATOM 1218 CG ASP A 80 -3.517 -6.182 14.896 1.00 0.00 C ATOM 1219 OD1 ASP A 80 -4.126 -5.232 14.356 1.00 0.00 O ATOM 1220 OD2 ASP A 80 -3.978 -6.758 15.908 1.00 0.00 O ATOM 0 H ASP A 80 -0.113 -6.039 12.176 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.714 -4.904 13.261 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.479 -7.272 13.350 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.759 -7.432 14.940 1.00 0.00 H new ATOM 1225 N GLY A 81 0.411 -4.109 14.979 1.00 0.00 N ATOM 1226 CA GLY A 81 0.889 -3.107 15.927 1.00 0.00 C ATOM 1227 C GLY A 81 1.953 -3.603 16.907 1.00 0.00 C ATOM 1228 O GLY A 81 2.426 -2.798 17.712 1.00 0.00 O ATOM 0 H GLY A 81 1.044 -4.254 14.192 1.00 0.00 H new ATOM 0 HA2 GLY A 81 1.296 -2.264 15.368 1.00 0.00 H new ATOM 0 HA3 GLY A 81 0.039 -2.732 16.496 1.00 0.00 H new ATOM 1232 N GLU A 82 2.360 -4.879 16.867 1.00 0.00 N ATOM 1233 CA GLU A 82 3.363 -5.437 17.773 1.00 0.00 C ATOM 1234 C GLU A 82 4.405 -6.232 16.984 1.00 0.00 C ATOM 1235 O GLU A 82 4.105 -6.734 15.902 1.00 0.00 O ATOM 1236 CB GLU A 82 2.651 -6.275 18.844 1.00 0.00 C ATOM 1237 CG GLU A 82 2.088 -7.625 18.370 1.00 0.00 C ATOM 1238 CD GLU A 82 1.395 -8.375 19.522 1.00 0.00 C ATOM 1239 OE1 GLU A 82 2.063 -9.162 20.232 1.00 0.00 O ATOM 1240 OE2 GLU A 82 0.173 -8.199 19.728 1.00 0.00 O ATOM 0 H GLU A 82 1.996 -5.556 16.197 1.00 0.00 H new ATOM 0 HA GLU A 82 3.908 -4.642 18.282 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.351 -6.460 19.659 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.832 -5.685 19.255 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.377 -7.461 17.560 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.895 -8.237 17.967 1.00 0.00 H new ATOM 1247 N VAL A 83 5.637 -6.332 17.491 1.00 0.00 N ATOM 1248 CA VAL A 83 6.722 -7.039 16.815 1.00 0.00 C ATOM 1249 C VAL A 83 6.347 -8.511 16.674 1.00 0.00 C ATOM 1250 O VAL A 83 5.890 -9.151 17.625 1.00 0.00 O ATOM 1251 CB VAL A 83 8.063 -6.842 17.554 1.00 0.00 C ATOM 1252 CG1 VAL A 83 9.232 -7.453 16.764 1.00 0.00 C ATOM 1253 CG2 VAL A 83 8.366 -5.351 17.767 1.00 0.00 C ATOM 0 H VAL A 83 5.908 -5.923 18.385 1.00 0.00 H new ATOM 0 HA VAL A 83 6.863 -6.624 15.817 1.00 0.00 H new ATOM 0 HB VAL A 83 7.963 -7.344 18.516 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.162 -7.297 17.311 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.063 -8.522 16.632 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.301 -6.974 15.788 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.316 -5.244 18.290 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.425 -4.850 16.801 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.572 -4.900 18.362 1.00 0.00 H new ATOM 1263 N VAL A 84 6.593 -9.037 15.479 1.00 0.00 N ATOM 1264 CA VAL A 84 6.419 -10.431 15.130 1.00 0.00 C ATOM 1265 C VAL A 84 7.757 -11.034 14.661 1.00 0.00 C ATOM 1266 O VAL A 84 7.955 -12.232 14.859 1.00 0.00 O ATOM 1267 CB VAL A 84 5.240 -10.545 14.133 1.00 0.00 C ATOM 1268 CG1 VAL A 84 5.616 -10.209 12.680 1.00 0.00 C ATOM 1269 CG2 VAL A 84 4.574 -11.920 14.207 1.00 0.00 C ATOM 0 H VAL A 84 6.933 -8.475 14.699 1.00 0.00 H new ATOM 0 HA VAL A 84 6.142 -11.038 15.992 1.00 0.00 H new ATOM 0 HB VAL A 84 4.525 -9.785 14.449 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.737 -10.312 12.044 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.984 -9.184 12.627 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.394 -10.892 12.338 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.751 -11.964 13.494 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.305 -12.692 13.966 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.191 -12.085 15.214 1.00 0.00 H new ATOM 1279 N GLU A 85 8.707 -10.243 14.129 1.00 0.00 N ATOM 1280 CA GLU A 85 10.028 -10.739 13.711 1.00 0.00 C ATOM 1281 C GLU A 85 11.045 -9.586 13.724 1.00 0.00 C ATOM 1282 O GLU A 85 10.670 -8.427 13.913 1.00 0.00 O ATOM 1283 CB GLU A 85 9.951 -11.407 12.315 1.00 0.00 C ATOM 1284 CG GLU A 85 10.052 -12.941 12.331 1.00 0.00 C ATOM 1285 CD GLU A 85 11.386 -13.518 12.842 1.00 0.00 C ATOM 1286 OE1 GLU A 85 12.264 -12.765 13.320 1.00 0.00 O ATOM 1287 OE2 GLU A 85 11.536 -14.761 12.771 1.00 0.00 O ATOM 0 H GLU A 85 8.579 -9.242 13.978 1.00 0.00 H new ATOM 0 HA GLU A 85 10.360 -11.500 14.417 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.011 -11.123 11.843 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.753 -11.010 11.692 1.00 0.00 H new ATOM 0 HG2 GLU A 85 9.246 -13.333 12.952 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.882 -13.308 11.319 1.00 0.00 H new ATOM 1294 N THR A 86 12.340 -9.867 13.567 1.00 0.00 N ATOM 1295 CA THR A 86 13.410 -8.867 13.641 1.00 0.00 C ATOM 1296 C THR A 86 14.613 -9.308 12.785 1.00 0.00 C ATOM 1297 O THR A 86 14.820 -10.503 12.557 1.00 0.00 O ATOM 1298 CB THR A 86 13.806 -8.691 15.125 1.00 0.00 C ATOM 1299 OG1 THR A 86 12.670 -8.416 15.925 1.00 0.00 O ATOM 1300 CG2 THR A 86 14.822 -7.570 15.382 1.00 0.00 C ATOM 0 H THR A 86 12.681 -10.810 13.382 1.00 0.00 H new ATOM 0 HA THR A 86 13.066 -7.911 13.245 1.00 0.00 H new ATOM 0 HB THR A 86 14.270 -9.641 15.392 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.946 -8.310 16.859 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.043 -7.517 16.448 1.00 0.00 H new ATOM 0 HG22 THR A 86 15.739 -7.777 14.831 1.00 0.00 H new ATOM 0 HG23 THR A 86 14.406 -6.619 15.050 1.00 0.00 H new ATOM 1308 N SER A 87 15.415 -8.356 12.300 1.00 0.00 N ATOM 1309 CA SER A 87 16.716 -8.579 11.672 1.00 0.00 C ATOM 1310 C SER A 87 17.607 -7.359 11.925 1.00 0.00 C ATOM 1311 O SER A 87 17.103 -6.254 12.126 1.00 0.00 O ATOM 1312 CB SER A 87 16.534 -8.824 10.170 1.00 0.00 C ATOM 1313 OG SER A 87 15.947 -10.092 9.961 1.00 0.00 O ATOM 0 H SER A 87 15.163 -7.368 12.337 1.00 0.00 H new ATOM 0 HA SER A 87 17.193 -9.460 12.102 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.904 -8.046 9.739 1.00 0.00 H new ATOM 0 HB3 SER A 87 17.498 -8.771 9.664 1.00 0.00 H new ATOM 0 HG SER A 87 15.617 -10.444 10.814 1.00 0.00 H new ATOM 1319 N VAL A 88 18.928 -7.540 11.913 1.00 0.00 N ATOM 1320 CA VAL A 88 19.907 -6.492 12.196 1.00 0.00 C ATOM 1321 C VAL A 88 20.973 -6.566 11.099 1.00 0.00 C ATOM 1322 O VAL A 88 21.357 -7.668 10.687 1.00 0.00 O ATOM 1323 CB VAL A 88 20.500 -6.694 13.612 1.00 0.00 C ATOM 1324 CG1 VAL A 88 21.462 -5.561 14.000 1.00 0.00 C ATOM 1325 CG2 VAL A 88 19.419 -6.794 14.705 1.00 0.00 C ATOM 0 H VAL A 88 19.356 -8.441 11.701 1.00 0.00 H new ATOM 0 HA VAL A 88 19.454 -5.501 12.191 1.00 0.00 H new ATOM 0 HB VAL A 88 21.040 -7.639 13.556 1.00 0.00 H new ATOM 0 HG11 VAL A 88 21.854 -5.743 15.000 1.00 0.00 H new ATOM 0 HG12 VAL A 88 22.287 -5.524 13.288 1.00 0.00 H new ATOM 0 HG13 VAL A 88 20.929 -4.610 13.987 1.00 0.00 H new ATOM 0 HG21 VAL A 88 19.895 -6.935 15.675 1.00 0.00 H new ATOM 0 HG22 VAL A 88 18.830 -5.877 14.719 1.00 0.00 H new ATOM 0 HG23 VAL A 88 18.766 -7.641 14.495 1.00 0.00 H new ATOM 1335 N GLY A 89 21.454 -5.413 10.635 1.00 0.00 N ATOM 1336 CA GLY A 89 22.424 -5.321 9.554 1.00 0.00 C ATOM 1337 C GLY A 89 21.767 -5.553 8.192 1.00 0.00 C ATOM 1338 O GLY A 89 20.557 -5.782 8.091 1.00 0.00 O ATOM 0 H GLY A 89 21.174 -4.506 11.008 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.896 -4.338 9.569 1.00 0.00 H new ATOM 0 HA3 GLY A 89 23.214 -6.056 9.708 1.00 0.00 H new ATOM 1342 N PHE A 90 22.571 -5.473 7.128 1.00 0.00 N ATOM 1343 CA PHE A 90 22.108 -5.757 5.774 1.00 0.00 C ATOM 1344 C PHE A 90 21.673 -7.218 5.682 1.00 0.00 C ATOM 1345 O PHE A 90 22.424 -8.110 6.078 1.00 0.00 O ATOM 1346 CB PHE A 90 23.221 -5.446 4.760 1.00 0.00 C ATOM 1347 CG PHE A 90 22.829 -5.689 3.310 1.00 0.00 C ATOM 1348 CD1 PHE A 90 22.871 -6.989 2.765 1.00 0.00 C ATOM 1349 CD2 PHE A 90 22.423 -4.612 2.499 1.00 0.00 C ATOM 1350 CE1 PHE A 90 22.478 -7.212 1.433 1.00 0.00 C ATOM 1351 CE2 PHE A 90 22.036 -4.834 1.165 1.00 0.00 C ATOM 1352 CZ PHE A 90 22.058 -6.135 0.634 1.00 0.00 C ATOM 0 H PHE A 90 23.555 -5.211 7.184 1.00 0.00 H new ATOM 0 HA PHE A 90 21.252 -5.124 5.538 1.00 0.00 H new ATOM 0 HB2 PHE A 90 23.520 -4.404 4.874 1.00 0.00 H new ATOM 0 HB3 PHE A 90 24.093 -6.056 4.996 1.00 0.00 H new ATOM 0 HD1 PHE A 90 23.206 -7.816 3.373 1.00 0.00 H new ATOM 0 HD2 PHE A 90 22.409 -3.611 2.903 1.00 0.00 H new ATOM 0 HE1 PHE A 90 22.499 -8.211 1.024 1.00 0.00 H new ATOM 0 HE2 PHE A 90 21.722 -4.005 0.549 1.00 0.00 H new ATOM 0 HZ PHE A 90 21.752 -6.307 -0.387 1.00 0.00 H new ATOM 1362 N LYS A 91 20.495 -7.450 5.098 1.00 0.00 N ATOM 1363 CA LYS A 91 19.918 -8.754 4.787 1.00 0.00 C ATOM 1364 C LYS A 91 19.358 -8.645 3.361 1.00 0.00 C ATOM 1365 O LYS A 91 18.907 -7.558 2.986 1.00 0.00 O ATOM 1366 CB LYS A 91 18.779 -9.080 5.779 1.00 0.00 C ATOM 1367 CG LYS A 91 19.100 -10.085 6.897 1.00 0.00 C ATOM 1368 CD LYS A 91 20.294 -9.723 7.786 1.00 0.00 C ATOM 1369 CE LYS A 91 20.359 -10.641 9.014 1.00 0.00 C ATOM 1370 NZ LYS A 91 21.559 -10.365 9.844 1.00 0.00 N ATOM 0 H LYS A 91 19.884 -6.684 4.814 1.00 0.00 H new ATOM 0 HA LYS A 91 20.662 -9.547 4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 91 18.455 -8.148 6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.932 -9.464 5.210 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.218 -10.193 7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 91 19.289 -11.058 6.444 1.00 0.00 H new ATOM 0 HD2 LYS A 91 21.218 -9.808 7.214 1.00 0.00 H new ATOM 0 HD3 LYS A 91 20.212 -8.685 8.107 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.461 -10.506 9.617 1.00 0.00 H new ATOM 0 HE3 LYS A 91 20.372 -11.682 8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 21.577 -11.016 10.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 22.416 -10.501 9.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 21.525 -9.384 10.188 1.00 0.00 H new ATOM 1384 N PRO A 92 19.371 -9.726 2.564 1.00 0.00 N ATOM 1385 CA PRO A 92 18.834 -9.707 1.210 1.00 0.00 C ATOM 1386 C PRO A 92 17.304 -9.630 1.240 1.00 0.00 C ATOM 1387 O PRO A 92 16.669 -10.056 2.208 1.00 0.00 O ATOM 1388 CB PRO A 92 19.326 -11.006 0.565 1.00 0.00 C ATOM 1389 CG PRO A 92 19.450 -11.965 1.749 1.00 0.00 C ATOM 1390 CD PRO A 92 19.881 -11.050 2.896 1.00 0.00 C ATOM 0 HA PRO A 92 19.165 -8.837 0.643 1.00 0.00 H new ATOM 0 HB2 PRO A 92 18.622 -11.376 -0.180 1.00 0.00 H new ATOM 0 HB3 PRO A 92 20.281 -10.867 0.059 1.00 0.00 H new ATOM 0 HG2 PRO A 92 18.505 -12.463 1.965 1.00 0.00 H new ATOM 0 HG3 PRO A 92 20.186 -12.746 1.559 1.00 0.00 H new ATOM 0 HD2 PRO A 92 19.476 -11.398 3.846 1.00 0.00 H new ATOM 0 HD3 PRO A 92 20.966 -11.036 2.998 1.00 0.00 H new ATOM 1398 N LYS A 93 16.697 -9.160 0.143 1.00 0.00 N ATOM 1399 CA LYS A 93 15.239 -9.031 0.036 1.00 0.00 C ATOM 1400 C LYS A 93 14.509 -10.353 0.239 1.00 0.00 C ATOM 1401 O LYS A 93 13.365 -10.351 0.688 1.00 0.00 O ATOM 1402 CB LYS A 93 14.825 -8.385 -1.297 1.00 0.00 C ATOM 1403 CG LYS A 93 15.244 -9.139 -2.569 1.00 0.00 C ATOM 1404 CD LYS A 93 14.902 -8.284 -3.798 1.00 0.00 C ATOM 1405 CE LYS A 93 15.095 -9.024 -5.131 1.00 0.00 C ATOM 1406 NZ LYS A 93 14.132 -10.140 -5.306 1.00 0.00 N ATOM 0 H LYS A 93 17.200 -8.860 -0.692 1.00 0.00 H new ATOM 0 HA LYS A 93 14.937 -8.371 0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.741 -8.276 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.247 -7.381 -1.338 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.313 -9.351 -2.545 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.729 -10.098 -2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.867 -7.951 -3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.526 -7.390 -3.794 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.982 -8.319 -5.954 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.112 -9.414 -5.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.224 -10.530 -6.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.333 -10.885 -4.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.163 -9.788 -5.167 1.00 0.00 H new ATOM 1420 N GLU A 94 15.147 -11.469 -0.105 1.00 0.00 N ATOM 1421 CA GLU A 94 14.597 -12.799 0.107 1.00 0.00 C ATOM 1422 C GLU A 94 14.394 -13.062 1.604 1.00 0.00 C ATOM 1423 O GLU A 94 13.346 -13.573 1.989 1.00 0.00 O ATOM 1424 CB GLU A 94 15.527 -13.837 -0.539 1.00 0.00 C ATOM 1425 CG GLU A 94 14.958 -15.262 -0.465 1.00 0.00 C ATOM 1426 CD GLU A 94 15.854 -16.265 -1.214 1.00 0.00 C ATOM 1427 OE1 GLU A 94 16.804 -16.814 -0.608 1.00 0.00 O ATOM 1428 OE2 GLU A 94 15.611 -16.529 -2.413 1.00 0.00 O ATOM 0 H GLU A 94 16.068 -11.472 -0.542 1.00 0.00 H new ATOM 0 HA GLU A 94 13.617 -12.876 -0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.695 -13.570 -1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.497 -13.810 -0.043 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.864 -15.564 0.578 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.956 -15.278 -0.893 1.00 0.00 H new ATOM 1435 N ALA A 95 15.355 -12.684 2.456 1.00 0.00 N ATOM 1436 CA ALA A 95 15.260 -12.913 3.892 1.00 0.00 C ATOM 1437 C ALA A 95 14.097 -12.113 4.475 1.00 0.00 C ATOM 1438 O ALA A 95 13.265 -12.660 5.200 1.00 0.00 O ATOM 1439 CB ALA A 95 16.582 -12.553 4.580 1.00 0.00 C ATOM 0 H ALA A 95 16.213 -12.214 2.166 1.00 0.00 H new ATOM 0 HA ALA A 95 15.068 -13.971 4.071 1.00 0.00 H new ATOM 0 HB1 ALA A 95 16.494 -12.730 5.652 1.00 0.00 H new ATOM 0 HB2 ALA A 95 17.383 -13.171 4.175 1.00 0.00 H new ATOM 0 HB3 ALA A 95 16.810 -11.502 4.403 1.00 0.00 H new ATOM 1445 N LEU A 96 14.011 -10.830 4.112 1.00 0.00 N ATOM 1446 CA LEU A 96 12.923 -9.953 4.511 1.00 0.00 C ATOM 1447 C LEU A 96 11.585 -10.558 4.088 1.00 0.00 C ATOM 1448 O LEU A 96 10.671 -10.651 4.904 1.00 0.00 O ATOM 1449 CB LEU A 96 13.125 -8.553 3.905 1.00 0.00 C ATOM 1450 CG LEU A 96 14.075 -7.647 4.709 1.00 0.00 C ATOM 1451 CD1 LEU A 96 15.543 -8.075 4.672 1.00 0.00 C ATOM 1452 CD2 LEU A 96 13.989 -6.206 4.189 1.00 0.00 C ATOM 0 H LEU A 96 14.708 -10.372 3.525 1.00 0.00 H new ATOM 0 HA LEU A 96 12.918 -9.850 5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.514 -8.661 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 96 12.155 -8.062 3.823 1.00 0.00 H new ATOM 0 HG LEU A 96 13.740 -7.730 5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 96 16.139 -7.381 5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 96 15.640 -9.080 5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 96 15.898 -8.070 3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 96 14.664 -5.571 4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 96 14.274 -6.181 3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 96 12.968 -5.841 4.297 1.00 0.00 H new ATOM 1464 N GLN A 97 11.484 -11.015 2.839 1.00 0.00 N ATOM 1465 CA GLN A 97 10.273 -11.634 2.320 1.00 0.00 C ATOM 1466 C GLN A 97 9.908 -12.897 3.079 1.00 0.00 C ATOM 1467 O GLN A 97 8.729 -13.106 3.343 1.00 0.00 O ATOM 1468 CB GLN A 97 10.415 -11.943 0.821 1.00 0.00 C ATOM 1469 CG GLN A 97 9.901 -10.754 0.018 1.00 0.00 C ATOM 1470 CD GLN A 97 10.309 -10.802 -1.452 1.00 0.00 C ATOM 1471 OE1 GLN A 97 9.573 -11.283 -2.307 1.00 0.00 O ATOM 1472 NE2 GLN A 97 11.481 -10.280 -1.769 1.00 0.00 N ATOM 0 H GLN A 97 12.244 -10.964 2.161 1.00 0.00 H new ATOM 0 HA GLN A 97 9.465 -10.916 2.460 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.458 -12.141 0.575 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.852 -12.841 0.567 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.814 -10.720 0.086 1.00 0.00 H new ATOM 0 HG3 GLN A 97 10.277 -9.833 0.463 1.00 0.00 H new ATOM 0 HE21 GLN A 97 12.077 -9.885 -1.041 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.789 -10.272 -2.741 1.00 0.00 H new ATOM 1481 N GLU A 98 10.875 -13.729 3.451 1.00 0.00 N ATOM 1482 CA GLU A 98 10.594 -14.938 4.207 1.00 0.00 C ATOM 1483 C GLU A 98 10.036 -14.577 5.583 1.00 0.00 C ATOM 1484 O GLU A 98 9.045 -15.167 6.010 1.00 0.00 O ATOM 1485 CB GLU A 98 11.846 -15.824 4.320 1.00 0.00 C ATOM 1486 CG GLU A 98 12.154 -16.598 3.029 1.00 0.00 C ATOM 1487 CD GLU A 98 11.134 -17.720 2.761 1.00 0.00 C ATOM 1488 OE1 GLU A 98 11.298 -18.837 3.305 1.00 0.00 O ATOM 1489 OE2 GLU A 98 10.172 -17.508 1.991 1.00 0.00 O ATOM 0 H GLU A 98 11.862 -13.585 3.239 1.00 0.00 H new ATOM 0 HA GLU A 98 9.839 -15.516 3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.703 -15.201 4.576 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.710 -16.532 5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.160 -15.907 2.186 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.154 -17.027 3.096 1.00 0.00 H new ATOM 1496 N LEU A 99 10.605 -13.577 6.261 1.00 0.00 N ATOM 1497 CA LEU A 99 10.104 -13.168 7.576 1.00 0.00 C ATOM 1498 C LEU A 99 8.706 -12.554 7.479 1.00 0.00 C ATOM 1499 O LEU A 99 7.884 -12.782 8.365 1.00 0.00 O ATOM 1500 CB LEU A 99 11.065 -12.209 8.292 1.00 0.00 C ATOM 1501 CG LEU A 99 12.460 -12.787 8.602 1.00 0.00 C ATOM 1502 CD1 LEU A 99 13.203 -11.834 9.542 1.00 0.00 C ATOM 1503 CD2 LEU A 99 12.429 -14.191 9.221 1.00 0.00 C ATOM 0 H LEU A 99 11.405 -13.040 5.926 1.00 0.00 H new ATOM 0 HA LEU A 99 10.038 -14.075 8.176 1.00 0.00 H new ATOM 0 HB2 LEU A 99 11.187 -11.317 7.678 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.605 -11.891 9.228 1.00 0.00 H new ATOM 0 HG LEU A 99 12.975 -12.884 7.646 1.00 0.00 H new ATOM 0 HD11 LEU A 99 14.190 -12.239 9.764 1.00 0.00 H new ATOM 0 HD12 LEU A 99 13.309 -10.860 9.064 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.639 -11.724 10.468 1.00 0.00 H new ATOM 0 HD21 LEU A 99 13.448 -14.528 9.410 1.00 0.00 H new ATOM 0 HD22 LEU A 99 11.876 -14.162 10.160 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.940 -14.881 8.533 1.00 0.00 H new ATOM 1515 N VAL A 100 8.407 -11.821 6.405 1.00 0.00 N ATOM 1516 CA VAL A 100 7.055 -11.365 6.101 1.00 0.00 C ATOM 1517 C VAL A 100 6.146 -12.588 5.912 1.00 0.00 C ATOM 1518 O VAL A 100 5.096 -12.698 6.543 1.00 0.00 O ATOM 1519 CB VAL A 100 7.108 -10.445 4.858 1.00 0.00 C ATOM 1520 CG1 VAL A 100 5.731 -10.140 4.255 1.00 0.00 C ATOM 1521 CG2 VAL A 100 7.803 -9.115 5.175 1.00 0.00 C ATOM 0 H VAL A 100 9.102 -11.527 5.719 1.00 0.00 H new ATOM 0 HA VAL A 100 6.635 -10.779 6.919 1.00 0.00 H new ATOM 0 HB VAL A 100 7.680 -11.008 4.121 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.849 -9.490 3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.254 -11.071 3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.110 -9.642 5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 100 7.823 -8.493 4.280 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.257 -8.598 5.964 1.00 0.00 H new ATOM 0 HG23 VAL A 100 8.824 -9.308 5.506 1.00 0.00 H new ATOM 1531 N ASN A 101 6.568 -13.530 5.070 1.00 0.00 N ATOM 1532 CA ASN A 101 5.796 -14.696 4.650 1.00 0.00 C ATOM 1533 C ASN A 101 5.433 -15.596 5.834 1.00 0.00 C ATOM 1534 O ASN A 101 4.331 -16.144 5.864 1.00 0.00 O ATOM 1535 CB ASN A 101 6.603 -15.459 3.590 1.00 0.00 C ATOM 1536 CG ASN A 101 5.846 -16.629 2.977 1.00 0.00 C ATOM 1537 OD1 ASN A 101 5.627 -17.662 3.603 1.00 0.00 O ATOM 1538 ND2 ASN A 101 5.465 -16.502 1.717 1.00 0.00 N ATOM 0 H ASN A 101 7.495 -13.499 4.645 1.00 0.00 H new ATOM 0 HA ASN A 101 4.850 -14.365 4.221 1.00 0.00 H new ATOM 0 HB2 ASN A 101 6.892 -14.768 2.798 1.00 0.00 H new ATOM 0 HB3 ASN A 101 7.523 -15.829 4.042 1.00 0.00 H new ATOM 0 HD21 ASN A 101 4.981 -17.269 1.251 1.00 0.00 H new ATOM 0 HD22 ASN A 101 5.655 -15.637 1.212 1.00 0.00 H new ATOM 1545 N LYS A 102 6.308 -15.688 6.847 1.00 0.00 N ATOM 1546 CA LYS A 102 6.036 -16.421 8.086 1.00 0.00 C ATOM 1547 C LYS A 102 4.765 -15.927 8.784 1.00 0.00 C ATOM 1548 O LYS A 102 4.138 -16.721 9.488 1.00 0.00 O ATOM 1549 CB LYS A 102 7.210 -16.289 9.075 1.00 0.00 C ATOM 1550 CG LYS A 102 8.436 -17.157 8.751 1.00 0.00 C ATOM 1551 CD LYS A 102 9.606 -16.913 9.723 1.00 0.00 C ATOM 1552 CE LYS A 102 9.260 -17.296 11.172 1.00 0.00 C ATOM 1553 NZ LYS A 102 10.430 -17.213 12.082 1.00 0.00 N ATOM 0 H LYS A 102 7.230 -15.252 6.826 1.00 0.00 H new ATOM 0 HA LYS A 102 5.901 -17.463 7.797 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.522 -15.245 9.108 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.855 -16.547 10.073 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.152 -18.209 8.786 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.765 -16.950 7.733 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.472 -17.489 9.396 1.00 0.00 H new ATOM 0 HD3 LYS A 102 9.890 -15.861 9.687 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.472 -16.638 11.539 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.862 -18.311 11.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.141 -17.481 13.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.174 -17.860 11.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.796 -16.240 12.089 1.00 0.00 H new ATOM 1567 N HIS A 103 4.382 -14.656 8.607 1.00 0.00 N ATOM 1568 CA HIS A 103 3.348 -14.018 9.420 1.00 0.00 C ATOM 1569 C HIS A 103 2.241 -13.322 8.618 1.00 0.00 C ATOM 1570 O HIS A 103 1.271 -12.862 9.227 1.00 0.00 O ATOM 1571 CB HIS A 103 4.036 -13.078 10.421 1.00 0.00 C ATOM 1572 CG HIS A 103 5.008 -13.816 11.313 1.00 0.00 C ATOM 1573 ND1 HIS A 103 4.695 -14.816 12.209 1.00 0.00 N ATOM 1574 CD2 HIS A 103 6.373 -13.701 11.302 1.00 0.00 C ATOM 1575 CE1 HIS A 103 5.841 -15.289 12.722 1.00 0.00 C ATOM 1576 NE2 HIS A 103 6.898 -14.644 12.196 1.00 0.00 N ATOM 0 H HIS A 103 4.782 -14.044 7.896 1.00 0.00 H new ATOM 0 HA HIS A 103 2.808 -14.801 9.952 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.565 -12.294 9.878 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.281 -12.587 11.035 1.00 0.00 H new ATOM 0 HD1 HIS A 103 3.756 -15.140 12.441 1.00 0.00 H new ATOM 0 HD2 HIS A 103 6.945 -13.004 10.707 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.906 -16.079 13.456 1.00 0.00 H new ATOM 1584 N LEU A 104 2.339 -13.242 7.285 1.00 0.00 N ATOM 1585 CA LEU A 104 1.224 -12.818 6.441 1.00 0.00 C ATOM 1586 C LEU A 104 0.049 -13.764 6.670 1.00 0.00 C ATOM 1587 O LEU A 104 0.245 -14.997 6.618 1.00 0.00 O ATOM 1588 CB LEU A 104 1.607 -12.788 4.948 1.00 0.00 C ATOM 1589 CG LEU A 104 2.305 -11.501 4.480 1.00 0.00 C ATOM 1590 CD1 LEU A 104 2.691 -11.656 3.004 1.00 0.00 C ATOM 1591 CD2 LEU A 104 1.423 -10.253 4.616 1.00 0.00 C ATOM 1592 OXT LEU A 104 -1.078 -13.270 6.874 1.00 0.00 O ATOM 0 H LEU A 104 3.189 -13.468 6.768 1.00 0.00 H new ATOM 0 HA LEU A 104 0.948 -11.800 6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.262 -13.634 4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.704 -12.930 4.354 1.00 0.00 H new ATOM 0 HG LEU A 104 3.177 -11.361 5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.187 -10.748 2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.367 -12.504 2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.794 -11.826 2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.974 -9.379 4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.522 -10.377 4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.145 -10.116 5.661 1.00 0.00 H new