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 Set 1.1: A 87 SER OG : rot 32:sc= 0.954 USER MOD Set 1.2: A 91 LYS NZ :NH3+ 169:sc= 0.982 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot -100:sc= 0.711 USER MOD Set 2.2: A 9 GLN : amide:sc= 0.8 X(o=1.9,f=1.4) USER MOD Set 2.3: A 10 SER OG : rot 180:sc= 0.36 USER MOD Single : A 5 LYS NZ :NH3+ -173:sc= 0.183 (180deg=0.169) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -83:sc= 1.35 USER MOD Single : A 16 SER OG : rot 105:sc= 1.25 USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= 1.81 (180deg=1.27) USER MOD Single : A 34 MET CE :methyl -167:sc= -0.0825 (180deg=-0.32) USER MOD Single : A 44 GLN : amide:sc= 0.167 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+ 171:sc= 1.24 (180deg=1.2) USER MOD Single : A 51 LYS NZ :NH3+ -178:sc= 3.6 (180deg=3.59) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 1 K(o=1,f=-5!) USER MOD Single : A 61 GLN : amide:sc= 0.816 K(o=0.82,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0449 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -130:sc= 0.696 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 127:sc= 1.25 USER MOD Single : A 79 LYS NZ :NH3+ 178:sc= 2.17 (180deg=2.17) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -144:sc= 1.27 (180deg=0.997) USER MOD Single : A 97 GLN : amide:sc= 0.52 K(o=0.52,f=0) USER MOD Single : A 101 ASN : amide:sc=-0.000539 X(o=-0.00054,f=-0.2) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HE2:sc= -0.444 K(o=-0.44,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 30 N ILE A 3 6.087 2.195 0.907 1.00 0.00 N ATOM 31 CA ILE A 3 7.009 2.648 1.944 1.00 0.00 C ATOM 32 C ILE A 3 6.415 3.940 2.528 1.00 0.00 C ATOM 33 O ILE A 3 5.827 4.753 1.808 1.00 0.00 O ATOM 34 CB ILE A 3 8.420 2.868 1.352 1.00 0.00 C ATOM 35 CG1 ILE A 3 9.014 1.541 0.825 1.00 0.00 C ATOM 36 CG2 ILE A 3 9.409 3.468 2.370 1.00 0.00 C ATOM 37 CD1 ILE A 3 9.738 1.750 -0.501 1.00 0.00 C ATOM 0 HA ILE A 3 7.125 1.905 2.733 1.00 0.00 H new ATOM 0 HB ILE A 3 8.288 3.578 0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.707 1.132 1.560 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.217 0.808 0.696 1.00 0.00 H new ATOM 0 HG21 ILE A 3 10.382 3.600 1.897 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.038 4.434 2.712 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.507 2.795 3.222 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.145 0.800 -0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 3 9.037 2.136 -1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.550 2.464 -0.364 1.00 0.00 H new ATOM 49 N VAL A 4 6.602 4.135 3.827 1.00 0.00 N ATOM 50 CA VAL A 4 6.115 5.256 4.618 1.00 0.00 C ATOM 51 C VAL A 4 7.279 5.681 5.524 1.00 0.00 C ATOM 52 O VAL A 4 8.244 4.933 5.715 1.00 0.00 O ATOM 53 CB VAL A 4 4.846 4.823 5.402 1.00 0.00 C ATOM 54 CG1 VAL A 4 4.163 5.980 6.152 1.00 0.00 C ATOM 55 CG2 VAL A 4 3.779 4.184 4.493 1.00 0.00 C ATOM 0 H VAL A 4 7.132 3.471 4.392 1.00 0.00 H new ATOM 0 HA VAL A 4 5.811 6.108 4.009 1.00 0.00 H new ATOM 0 HB VAL A 4 5.224 4.095 6.120 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.284 5.605 6.677 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.860 6.409 6.872 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.860 6.747 5.439 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.914 3.900 5.092 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.473 4.901 3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.194 3.298 4.012 1.00 0.00 H new ATOM 65 N LYS A 5 7.190 6.879 6.098 1.00 0.00 N ATOM 66 CA LYS A 5 8.160 7.434 7.038 1.00 0.00 C ATOM 67 C LYS A 5 7.335 7.860 8.248 1.00 0.00 C ATOM 68 O LYS A 5 6.280 8.475 8.078 1.00 0.00 O ATOM 69 CB LYS A 5 8.915 8.597 6.357 1.00 0.00 C ATOM 70 CG LYS A 5 10.424 8.693 6.663 1.00 0.00 C ATOM 71 CD LYS A 5 10.808 9.800 7.655 1.00 0.00 C ATOM 72 CE LYS A 5 10.219 9.507 9.035 1.00 0.00 C ATOM 73 NZ LYS A 5 10.652 10.475 10.072 1.00 0.00 N ATOM 0 H LYS A 5 6.412 7.512 5.914 1.00 0.00 H new ATOM 0 HA LYS A 5 8.932 6.731 7.352 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.788 8.504 5.278 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.444 9.534 6.654 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.762 7.736 7.059 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.961 8.859 5.729 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.893 9.875 7.724 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.445 10.762 7.294 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.131 9.518 8.968 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.510 8.502 9.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.318 10.158 11.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.690 10.536 10.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.252 11.412 9.861 1.00 0.00 H new ATOM 87 N ALA A 6 7.795 7.517 9.448 1.00 0.00 N ATOM 88 CA ALA A 6 7.040 7.688 10.691 1.00 0.00 C ATOM 89 C ALA A 6 7.916 8.277 11.799 1.00 0.00 C ATOM 90 O ALA A 6 9.125 8.458 11.629 1.00 0.00 O ATOM 91 CB ALA A 6 6.452 6.332 11.115 1.00 0.00 C ATOM 0 H ALA A 6 8.718 7.106 9.589 1.00 0.00 H new ATOM 0 HA ALA A 6 6.228 8.394 10.517 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.889 6.453 12.040 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.790 5.962 10.332 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.261 5.618 11.273 1.00 0.00 H new ATOM 97 N THR A 7 7.294 8.564 12.938 1.00 0.00 N ATOM 98 CA THR A 7 7.951 8.927 14.186 1.00 0.00 C ATOM 99 C THR A 7 7.233 8.197 15.321 1.00 0.00 C ATOM 100 O THR A 7 6.213 7.546 15.091 1.00 0.00 O ATOM 101 CB THR A 7 7.907 10.451 14.409 1.00 0.00 C ATOM 102 OG1 THR A 7 6.592 10.957 14.276 1.00 0.00 O ATOM 103 CG2 THR A 7 8.808 11.230 13.454 1.00 0.00 C ATOM 0 H THR A 7 6.277 8.549 13.019 1.00 0.00 H new ATOM 0 HA THR A 7 9.001 8.637 14.153 1.00 0.00 H new ATOM 0 HB THR A 7 8.272 10.594 15.426 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.484 11.358 13.388 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.728 12.296 13.667 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.842 10.910 13.586 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.498 11.041 12.426 1.00 0.00 H new ATOM 111 N ASP A 8 7.694 8.365 16.560 1.00 0.00 N ATOM 112 CA ASP A 8 6.986 7.917 17.764 1.00 0.00 C ATOM 113 C ASP A 8 5.511 8.359 17.776 1.00 0.00 C ATOM 114 O ASP A 8 4.652 7.658 18.312 1.00 0.00 O ATOM 115 CB ASP A 8 7.687 8.476 19.007 1.00 0.00 C ATOM 116 CG ASP A 8 6.928 8.112 20.294 1.00 0.00 C ATOM 117 OD1 ASP A 8 6.934 6.930 20.702 1.00 0.00 O ATOM 118 OD2 ASP A 8 6.341 9.022 20.923 1.00 0.00 O ATOM 0 H ASP A 8 8.583 8.823 16.761 1.00 0.00 H new ATOM 0 HA ASP A 8 7.006 6.827 17.766 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.703 8.085 19.060 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.767 9.560 18.925 1.00 0.00 H new ATOM 123 N GLN A 9 5.216 9.505 17.151 1.00 0.00 N ATOM 124 CA GLN A 9 3.883 10.089 17.060 1.00 0.00 C ATOM 125 C GLN A 9 2.906 9.219 16.253 1.00 0.00 C ATOM 126 O GLN A 9 1.698 9.283 16.492 1.00 0.00 O ATOM 127 CB GLN A 9 3.970 11.471 16.389 1.00 0.00 C ATOM 128 CG GLN A 9 4.975 12.441 17.035 1.00 0.00 C ATOM 129 CD GLN A 9 5.117 13.722 16.213 1.00 0.00 C ATOM 130 OE1 GLN A 9 4.646 14.791 16.598 1.00 0.00 O ATOM 131 NE2 GLN A 9 5.766 13.644 15.062 1.00 0.00 N ATOM 0 H GLN A 9 5.926 10.066 16.681 1.00 0.00 H new ATOM 0 HA GLN A 9 3.503 10.167 18.079 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.240 11.334 15.342 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.982 11.930 16.406 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.647 12.689 18.045 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.946 11.955 17.125 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.152 12.752 14.754 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.880 14.476 14.483 1.00 0.00 H new ATOM 140 N SER A 10 3.408 8.420 15.308 1.00 0.00 N ATOM 141 CA SER A 10 2.612 7.737 14.296 1.00 0.00 C ATOM 142 C SER A 10 2.919 6.244 14.155 1.00 0.00 C ATOM 143 O SER A 10 2.094 5.510 13.609 1.00 0.00 O ATOM 144 CB SER A 10 2.858 8.483 12.980 1.00 0.00 C ATOM 145 OG SER A 10 4.245 8.699 12.730 1.00 0.00 O ATOM 0 H SER A 10 4.406 8.228 15.227 1.00 0.00 H new ATOM 0 HA SER A 10 1.563 7.760 14.592 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.427 7.913 12.156 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.343 9.443 13.008 1.00 0.00 H new ATOM 0 HG SER A 10 4.354 9.176 11.881 1.00 0.00 H new ATOM 151 N PHE A 11 4.065 5.779 14.659 1.00 0.00 N ATOM 152 CA PHE A 11 4.584 4.435 14.427 1.00 0.00 C ATOM 153 C PHE A 11 3.553 3.353 14.747 1.00 0.00 C ATOM 154 O PHE A 11 3.334 2.454 13.935 1.00 0.00 O ATOM 155 CB PHE A 11 5.860 4.246 15.260 1.00 0.00 C ATOM 156 CG PHE A 11 6.598 2.956 14.974 1.00 0.00 C ATOM 157 CD1 PHE A 11 7.564 2.926 13.953 1.00 0.00 C ATOM 158 CD2 PHE A 11 6.330 1.794 15.722 1.00 0.00 C ATOM 159 CE1 PHE A 11 8.275 1.745 13.694 1.00 0.00 C ATOM 160 CE2 PHE A 11 7.031 0.607 15.447 1.00 0.00 C ATOM 161 CZ PHE A 11 8.008 0.582 14.439 1.00 0.00 C ATOM 0 H PHE A 11 4.671 6.344 15.254 1.00 0.00 H new ATOM 0 HA PHE A 11 4.816 4.330 13.367 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.531 5.085 15.074 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.599 4.276 16.318 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.759 3.813 13.368 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.587 1.814 16.506 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.029 1.728 12.921 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.818 -0.288 16.013 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.553 -0.328 14.236 1.00 0.00 H new ATOM 171 N SER A 12 2.889 3.444 15.901 1.00 0.00 N ATOM 172 CA SER A 12 1.942 2.430 16.344 1.00 0.00 C ATOM 173 C SER A 12 0.729 2.338 15.414 1.00 0.00 C ATOM 174 O SER A 12 0.250 1.240 15.127 1.00 0.00 O ATOM 175 CB SER A 12 1.518 2.733 17.786 1.00 0.00 C ATOM 176 OG SER A 12 2.655 3.001 18.595 1.00 0.00 O ATOM 0 H SER A 12 2.995 4.223 16.551 1.00 0.00 H new ATOM 0 HA SER A 12 2.431 1.456 16.310 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.844 3.590 17.800 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.966 1.886 18.194 1.00 0.00 H new ATOM 0 HG SER A 12 2.366 3.194 19.511 1.00 0.00 H new ATOM 182 N ALA A 13 0.249 3.474 14.905 1.00 0.00 N ATOM 183 CA ALA A 13 -0.855 3.499 13.962 1.00 0.00 C ATOM 184 C ALA A 13 -0.413 2.908 12.627 1.00 0.00 C ATOM 185 O ALA A 13 -1.121 2.083 12.049 1.00 0.00 O ATOM 186 CB ALA A 13 -1.376 4.931 13.789 1.00 0.00 C ATOM 0 H ALA A 13 0.618 4.396 15.138 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.672 2.891 14.351 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.203 4.934 13.079 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.721 5.311 14.750 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.574 5.567 13.414 1.00 0.00 H new ATOM 192 N GLU A 14 0.773 3.296 12.156 1.00 0.00 N ATOM 193 CA GLU A 14 1.295 2.838 10.877 1.00 0.00 C ATOM 194 C GLU A 14 1.514 1.325 10.887 1.00 0.00 C ATOM 195 O GLU A 14 1.254 0.667 9.878 1.00 0.00 O ATOM 196 CB GLU A 14 2.596 3.577 10.505 1.00 0.00 C ATOM 197 CG GLU A 14 2.383 5.046 10.097 1.00 0.00 C ATOM 198 CD GLU A 14 1.427 5.238 8.903 1.00 0.00 C ATOM 199 OE1 GLU A 14 1.247 4.297 8.096 1.00 0.00 O ATOM 200 OE2 GLU A 14 0.843 6.339 8.773 1.00 0.00 O ATOM 0 H GLU A 14 1.394 3.935 12.652 1.00 0.00 H new ATOM 0 HA GLU A 14 0.551 3.070 10.115 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.278 3.541 11.354 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.081 3.049 9.684 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.992 5.596 10.953 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.349 5.486 9.849 1.00 0.00 H new ATOM 207 N THR A 15 1.932 0.759 12.018 1.00 0.00 N ATOM 208 CA THR A 15 2.242 -0.654 12.150 1.00 0.00 C ATOM 209 C THR A 15 1.009 -1.532 12.398 1.00 0.00 C ATOM 210 O THR A 15 1.146 -2.755 12.482 1.00 0.00 O ATOM 211 CB THR A 15 3.360 -0.838 13.188 1.00 0.00 C ATOM 212 OG1 THR A 15 3.082 -0.177 14.402 1.00 0.00 O ATOM 213 CG2 THR A 15 4.696 -0.308 12.651 1.00 0.00 C ATOM 0 H THR A 15 2.066 1.284 12.882 1.00 0.00 H new ATOM 0 HA THR A 15 2.614 -1.015 11.191 1.00 0.00 H new ATOM 0 HB THR A 15 3.422 -1.910 13.377 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.332 0.767 14.325 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.472 -0.449 13.403 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.965 -0.851 11.745 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.601 0.754 12.422 1.00 0.00 H new ATOM 221 N SER A 16 -0.194 -0.950 12.456 1.00 0.00 N ATOM 222 CA SER A 16 -1.428 -1.659 12.777 1.00 0.00 C ATOM 223 C SER A 16 -2.265 -1.957 11.524 1.00 0.00 C ATOM 224 O SER A 16 -3.493 -2.026 11.596 1.00 0.00 O ATOM 225 CB SER A 16 -2.203 -0.881 13.852 1.00 0.00 C ATOM 226 OG SER A 16 -1.463 -0.798 15.055 1.00 0.00 O ATOM 0 H SER A 16 -0.335 0.044 12.277 1.00 0.00 H new ATOM 0 HA SER A 16 -1.179 -2.637 13.189 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.426 0.122 13.489 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.158 -1.371 14.042 1.00 0.00 H new ATOM 0 HG SER A 16 -1.092 0.104 15.149 1.00 0.00 H new ATOM 232 N GLU A 17 -1.612 -2.121 10.370 1.00 0.00 N ATOM 233 CA GLU A 17 -2.275 -2.275 9.072 1.00 0.00 C ATOM 234 C GLU A 17 -1.644 -3.414 8.251 1.00 0.00 C ATOM 235 O GLU A 17 -1.200 -3.213 7.118 1.00 0.00 O ATOM 236 CB GLU A 17 -2.324 -0.932 8.320 1.00 0.00 C ATOM 237 CG GLU A 17 -3.120 0.148 9.070 1.00 0.00 C ATOM 238 CD GLU A 17 -3.404 1.372 8.184 1.00 0.00 C ATOM 239 OE1 GLU A 17 -2.442 1.978 7.664 1.00 0.00 O ATOM 240 OE2 GLU A 17 -4.589 1.741 8.014 1.00 0.00 O ATOM 0 H GLU A 17 -0.594 -2.151 10.310 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.310 -2.571 9.242 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.307 -0.577 8.155 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.770 -1.088 7.338 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.063 -0.273 9.420 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.564 0.461 9.953 1.00 0.00 H new ATOM 247 N GLY A 18 -1.589 -4.616 8.834 1.00 0.00 N ATOM 248 CA GLY A 18 -1.155 -5.838 8.158 1.00 0.00 C ATOM 249 C GLY A 18 0.221 -6.249 8.661 1.00 0.00 C ATOM 250 O GLY A 18 0.561 -5.981 9.818 1.00 0.00 O ATOM 0 H GLY A 18 -1.851 -4.767 9.808 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.872 -6.639 8.340 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.124 -5.676 7.080 1.00 0.00 H new ATOM 254 N VAL A 19 0.995 -6.938 7.819 1.00 0.00 N ATOM 255 CA VAL A 19 2.417 -7.130 8.088 1.00 0.00 C ATOM 256 C VAL A 19 3.061 -5.779 7.778 1.00 0.00 C ATOM 257 O VAL A 19 2.765 -5.167 6.746 1.00 0.00 O ATOM 258 CB VAL A 19 3.052 -8.243 7.224 1.00 0.00 C ATOM 259 CG1 VAL A 19 4.487 -8.530 7.709 1.00 0.00 C ATOM 260 CG2 VAL A 19 2.263 -9.560 7.261 1.00 0.00 C ATOM 0 H VAL A 19 0.663 -7.367 6.955 1.00 0.00 H new ATOM 0 HA VAL A 19 2.571 -7.451 9.118 1.00 0.00 H new ATOM 0 HB VAL A 19 3.045 -7.873 6.199 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.928 -9.315 7.095 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.087 -7.624 7.626 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.461 -8.854 8.750 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.761 -10.300 6.634 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.214 -9.926 8.286 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.253 -9.390 6.888 1.00 0.00 H new ATOM 270 N VAL A 20 3.958 -5.321 8.642 1.00 0.00 N ATOM 271 CA VAL A 20 4.668 -4.069 8.465 1.00 0.00 C ATOM 272 C VAL A 20 6.125 -4.346 8.816 1.00 0.00 C ATOM 273 O VAL A 20 6.406 -5.077 9.765 1.00 0.00 O ATOM 274 CB VAL A 20 4.018 -2.962 9.324 1.00 0.00 C ATOM 275 CG1 VAL A 20 4.673 -1.601 9.032 1.00 0.00 C ATOM 276 CG2 VAL A 20 2.502 -2.855 9.047 1.00 0.00 C ATOM 0 H VAL A 20 4.213 -5.818 9.495 1.00 0.00 H new ATOM 0 HA VAL A 20 4.617 -3.699 7.441 1.00 0.00 H new ATOM 0 HB VAL A 20 4.170 -3.230 10.369 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.203 -0.832 9.645 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.737 -1.652 9.265 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.544 -1.354 7.978 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.074 -2.067 9.667 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.340 -2.618 7.995 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.021 -3.804 9.283 1.00 0.00 H new ATOM 286 N LEU A 21 7.056 -3.784 8.049 1.00 0.00 N ATOM 287 CA LEU A 21 8.485 -3.993 8.235 1.00 0.00 C ATOM 288 C LEU A 21 9.097 -2.609 8.399 1.00 0.00 C ATOM 289 O LEU A 21 9.230 -1.840 7.446 1.00 0.00 O ATOM 290 CB LEU A 21 9.034 -4.844 7.077 1.00 0.00 C ATOM 291 CG LEU A 21 10.431 -5.441 7.320 1.00 0.00 C ATOM 292 CD1 LEU A 21 10.789 -6.379 6.160 1.00 0.00 C ATOM 293 CD2 LEU A 21 11.535 -4.395 7.479 1.00 0.00 C ATOM 0 H LEU A 21 6.834 -3.163 7.271 1.00 0.00 H new ATOM 0 HA LEU A 21 8.741 -4.568 9.125 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.336 -5.658 6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.069 -4.229 6.178 1.00 0.00 H new ATOM 0 HG LEU A 21 10.376 -5.979 8.266 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.778 -6.804 6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.054 -7.182 6.101 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.789 -5.818 5.225 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.489 -4.895 7.647 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.597 -3.791 6.574 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.308 -3.752 8.330 1.00 0.00 H new ATOM 305 N ALA A 22 9.356 -2.242 9.648 1.00 0.00 N ATOM 306 CA ALA A 22 9.940 -0.966 9.988 1.00 0.00 C ATOM 307 C ALA A 22 11.451 -1.037 9.793 1.00 0.00 C ATOM 308 O ALA A 22 12.061 -2.063 10.092 1.00 0.00 O ATOM 309 CB ALA A 22 9.613 -0.629 11.437 1.00 0.00 C ATOM 0 H ALA A 22 9.162 -2.833 10.456 1.00 0.00 H new ATOM 0 HA ALA A 22 9.532 -0.188 9.343 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.053 0.334 11.695 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.532 -0.579 11.564 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.020 -1.401 12.091 1.00 0.00 H new ATOM 315 N ASP A 23 12.051 0.073 9.370 1.00 0.00 N ATOM 316 CA ASP A 23 13.467 0.212 9.055 1.00 0.00 C ATOM 317 C ASP A 23 14.016 1.359 9.895 1.00 0.00 C ATOM 318 O ASP A 23 13.861 2.538 9.566 1.00 0.00 O ATOM 319 CB ASP A 23 13.670 0.445 7.552 1.00 0.00 C ATOM 320 CG ASP A 23 15.118 0.853 7.224 1.00 0.00 C ATOM 321 OD1 ASP A 23 16.061 0.254 7.789 1.00 0.00 O ATOM 322 OD2 ASP A 23 15.307 1.743 6.364 1.00 0.00 O ATOM 0 H ASP A 23 11.535 0.942 9.231 1.00 0.00 H new ATOM 0 HA ASP A 23 14.009 -0.703 9.295 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.417 -0.464 7.006 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.987 1.223 7.210 1.00 0.00 H new ATOM 327 N PHE A 24 14.565 0.991 11.048 1.00 0.00 N ATOM 328 CA PHE A 24 15.238 1.877 11.975 1.00 0.00 C ATOM 329 C PHE A 24 16.584 2.201 11.342 1.00 0.00 C ATOM 330 O PHE A 24 17.432 1.312 11.174 1.00 0.00 O ATOM 331 CB PHE A 24 15.367 1.200 13.352 1.00 0.00 C ATOM 332 CG PHE A 24 14.050 1.119 14.110 1.00 0.00 C ATOM 333 CD1 PHE A 24 13.012 0.282 13.652 1.00 0.00 C ATOM 334 CD2 PHE A 24 13.834 1.926 15.245 1.00 0.00 C ATOM 335 CE1 PHE A 24 11.756 0.309 14.279 1.00 0.00 C ATOM 336 CE2 PHE A 24 12.573 1.957 15.865 1.00 0.00 C ATOM 337 CZ PHE A 24 11.526 1.167 15.363 1.00 0.00 C ATOM 0 H PHE A 24 14.549 0.023 11.371 1.00 0.00 H new ATOM 0 HA PHE A 24 14.685 2.799 12.153 1.00 0.00 H new ATOM 0 HB2 PHE A 24 15.763 0.194 13.218 1.00 0.00 H new ATOM 0 HB3 PHE A 24 16.091 1.750 13.953 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.183 -0.381 12.817 1.00 0.00 H new ATOM 0 HD2 PHE A 24 14.642 2.524 15.641 1.00 0.00 H new ATOM 0 HE1 PHE A 24 10.964 -0.334 13.925 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.409 2.588 16.726 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.545 1.221 15.812 1.00 0.00 H new ATOM 347 N TRP A 25 16.748 3.466 10.953 1.00 0.00 N ATOM 348 CA TRP A 25 17.882 3.963 10.192 1.00 0.00 C ATOM 349 C TRP A 25 18.133 5.423 10.588 1.00 0.00 C ATOM 350 O TRP A 25 17.472 5.934 11.490 1.00 0.00 O ATOM 351 CB TRP A 25 17.624 3.749 8.681 1.00 0.00 C ATOM 352 CG TRP A 25 17.469 4.957 7.803 1.00 0.00 C ATOM 353 CD1 TRP A 25 18.398 5.433 6.943 1.00 0.00 C ATOM 354 CD2 TRP A 25 16.364 5.910 7.750 1.00 0.00 C ATOM 355 NE1 TRP A 25 17.907 6.559 6.312 1.00 0.00 N ATOM 356 CE2 TRP A 25 16.680 6.928 6.806 1.00 0.00 C ATOM 357 CE3 TRP A 25 15.141 6.037 8.436 1.00 0.00 C ATOM 358 CZ2 TRP A 25 15.825 8.008 6.545 1.00 0.00 C ATOM 359 CZ3 TRP A 25 14.277 7.123 8.195 1.00 0.00 C ATOM 360 CH2 TRP A 25 14.615 8.106 7.248 1.00 0.00 C ATOM 0 H TRP A 25 16.067 4.194 11.170 1.00 0.00 H new ATOM 0 HA TRP A 25 18.795 3.413 10.419 1.00 0.00 H new ATOM 0 HB2 TRP A 25 18.447 3.155 8.285 1.00 0.00 H new ATOM 0 HB3 TRP A 25 16.720 3.148 8.581 1.00 0.00 H new ATOM 0 HD1 TRP A 25 19.373 5.000 6.776 1.00 0.00 H new ATOM 0 HE1 TRP A 25 18.397 7.057 5.568 1.00 0.00 H new ATOM 0 HE3 TRP A 25 14.860 5.287 9.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 16.094 8.755 5.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 13.349 7.201 8.741 1.00 0.00 H new ATOM 0 HH2 TRP A 25 13.946 8.933 7.063 1.00 0.00 H new ATOM 371 N ALA A 26 19.091 6.095 9.952 1.00 0.00 N ATOM 372 CA ALA A 26 19.290 7.534 10.029 1.00 0.00 C ATOM 373 C ALA A 26 20.045 7.929 8.755 1.00 0.00 C ATOM 374 O ALA A 26 20.866 7.131 8.297 1.00 0.00 O ATOM 375 CB ALA A 26 20.120 7.886 11.264 1.00 0.00 C ATOM 0 H ALA A 26 19.772 5.633 9.349 1.00 0.00 H new ATOM 0 HA ALA A 26 18.341 8.064 10.110 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.262 8.966 11.311 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.599 7.549 12.160 1.00 0.00 H new ATOM 0 HB3 ALA A 26 21.091 7.394 11.202 1.00 0.00 H new ATOM 381 N PRO A 27 19.841 9.116 8.163 1.00 0.00 N ATOM 382 CA PRO A 27 20.530 9.486 6.930 1.00 0.00 C ATOM 383 C PRO A 27 22.061 9.536 7.010 1.00 0.00 C ATOM 384 O PRO A 27 22.707 9.480 5.963 1.00 0.00 O ATOM 385 CB PRO A 27 19.955 10.831 6.494 1.00 0.00 C ATOM 386 CG PRO A 27 18.600 10.895 7.200 1.00 0.00 C ATOM 387 CD PRO A 27 18.817 10.098 8.487 1.00 0.00 C ATOM 0 HA PRO A 27 20.351 8.697 6.200 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.601 11.657 6.792 1.00 0.00 H new ATOM 0 HB3 PRO A 27 19.845 10.887 5.411 1.00 0.00 H new ATOM 0 HG2 PRO A 27 18.308 11.924 7.412 1.00 0.00 H new ATOM 0 HG3 PRO A 27 17.810 10.459 6.589 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.138 10.747 9.302 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.895 9.613 8.810 1.00 0.00 H new ATOM 395 N TRP A 28 22.667 9.609 8.202 1.00 0.00 N ATOM 396 CA TRP A 28 24.123 9.515 8.324 1.00 0.00 C ATOM 397 C TRP A 28 24.638 8.104 8.001 1.00 0.00 C ATOM 398 O TRP A 28 25.825 7.936 7.718 1.00 0.00 O ATOM 399 CB TRP A 28 24.592 9.953 9.721 1.00 0.00 C ATOM 400 CG TRP A 28 24.220 9.064 10.874 1.00 0.00 C ATOM 401 CD1 TRP A 28 23.174 9.261 11.703 1.00 0.00 C ATOM 402 CD2 TRP A 28 24.878 7.849 11.361 1.00 0.00 C ATOM 403 NE1 TRP A 28 23.138 8.273 12.665 1.00 0.00 N ATOM 404 CE2 TRP A 28 24.147 7.353 12.484 1.00 0.00 C ATOM 405 CE3 TRP A 28 26.016 7.108 10.971 1.00 0.00 C ATOM 406 CZ2 TRP A 28 24.506 6.177 13.160 1.00 0.00 C ATOM 407 CZ3 TRP A 28 26.384 5.924 11.638 1.00 0.00 C ATOM 408 CH2 TRP A 28 25.630 5.454 12.727 1.00 0.00 C ATOM 0 H TRP A 28 22.175 9.732 9.087 1.00 0.00 H new ATOM 0 HA TRP A 28 24.547 10.197 7.587 1.00 0.00 H new ATOM 0 HB2 TRP A 28 25.678 10.045 9.701 1.00 0.00 H new ATOM 0 HB3 TRP A 28 24.191 10.948 9.917 1.00 0.00 H new ATOM 0 HD1 TRP A 28 22.467 10.074 11.625 1.00 0.00 H new ATOM 0 HE1 TRP A 28 22.450 8.229 13.417 1.00 0.00 H new ATOM 0 HE3 TRP A 28 26.616 7.457 10.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 23.925 5.832 14.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 27.253 5.372 11.310 1.00 0.00 H new ATOM 0 HH2 TRP A 28 25.914 4.541 13.229 1.00 0.00 H new ATOM 419 N CYS A 29 23.762 7.095 8.078 1.00 0.00 N ATOM 420 CA CYS A 29 24.099 5.687 7.962 1.00 0.00 C ATOM 421 C CYS A 29 24.764 5.385 6.616 1.00 0.00 C ATOM 422 O CYS A 29 24.393 5.961 5.589 1.00 0.00 O ATOM 423 CB CYS A 29 22.809 4.877 8.120 1.00 0.00 C ATOM 424 SG CYS A 29 23.023 3.088 8.271 1.00 0.00 S ATOM 0 H CYS A 29 22.765 7.251 8.228 1.00 0.00 H new ATOM 0 HA CYS A 29 24.814 5.415 8.739 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.281 5.237 9.003 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.168 5.077 7.261 1.00 0.00 H new ATOM 429 N GLY A 30 25.687 4.423 6.612 1.00 0.00 N ATOM 430 CA GLY A 30 26.284 3.860 5.406 1.00 0.00 C ATOM 431 C GLY A 30 25.560 2.581 4.976 1.00 0.00 C ATOM 432 O GLY A 30 24.940 2.583 3.913 1.00 0.00 O ATOM 0 H GLY A 30 26.047 4.005 7.470 1.00 0.00 H new ATOM 0 HA2 GLY A 30 26.243 4.593 4.600 1.00 0.00 H new ATOM 0 HA3 GLY A 30 27.337 3.642 5.586 1.00 0.00 H new ATOM 436 N PRO A 31 25.548 1.501 5.786 1.00 0.00 N ATOM 437 CA PRO A 31 24.999 0.215 5.357 1.00 0.00 C ATOM 438 C PRO A 31 23.493 0.260 5.075 1.00 0.00 C ATOM 439 O PRO A 31 23.009 -0.489 4.226 1.00 0.00 O ATOM 440 CB PRO A 31 25.372 -0.797 6.449 1.00 0.00 C ATOM 441 CG PRO A 31 25.707 0.054 7.671 1.00 0.00 C ATOM 442 CD PRO A 31 26.207 1.368 7.078 1.00 0.00 C ATOM 0 HA PRO A 31 25.425 -0.077 4.397 1.00 0.00 H new ATOM 0 HB2 PRO A 31 24.547 -1.478 6.656 1.00 0.00 H new ATOM 0 HB3 PRO A 31 26.222 -1.409 6.148 1.00 0.00 H new ATOM 0 HG2 PRO A 31 24.832 0.208 8.302 1.00 0.00 H new ATOM 0 HG3 PRO A 31 26.468 -0.420 8.291 1.00 0.00 H new ATOM 0 HD2 PRO A 31 25.963 2.208 7.729 1.00 0.00 H new ATOM 0 HD3 PRO A 31 27.291 1.357 6.964 1.00 0.00 H new ATOM 450 N CYS A 32 22.750 1.174 5.710 1.00 0.00 N ATOM 451 CA CYS A 32 21.331 1.386 5.431 1.00 0.00 C ATOM 452 C CYS A 32 21.093 1.725 3.951 1.00 0.00 C ATOM 453 O CYS A 32 20.095 1.307 3.367 1.00 0.00 O ATOM 454 CB CYS A 32 20.771 2.514 6.307 1.00 0.00 C ATOM 455 SG CYS A 32 21.115 2.420 8.090 1.00 0.00 S ATOM 0 H CYS A 32 23.121 1.789 6.435 1.00 0.00 H new ATOM 0 HA CYS A 32 20.813 0.455 5.662 1.00 0.00 H new ATOM 0 HB2 CYS A 32 21.165 3.460 5.935 1.00 0.00 H new ATOM 0 HB3 CYS A 32 19.690 2.544 6.171 1.00 0.00 H new ATOM 460 N LYS A 33 22.023 2.451 3.320 1.00 0.00 N ATOM 461 CA LYS A 33 21.905 2.844 1.921 1.00 0.00 C ATOM 462 C LYS A 33 22.008 1.627 0.997 1.00 0.00 C ATOM 463 O LYS A 33 21.481 1.676 -0.112 1.00 0.00 O ATOM 464 CB LYS A 33 22.976 3.895 1.561 1.00 0.00 C ATOM 465 CG LYS A 33 23.104 5.073 2.547 1.00 0.00 C ATOM 466 CD LYS A 33 21.862 5.980 2.643 1.00 0.00 C ATOM 467 CE LYS A 33 21.947 6.982 3.812 1.00 0.00 C ATOM 468 NZ LYS A 33 23.193 7.786 3.803 1.00 0.00 N ATOM 0 H LYS A 33 22.877 2.780 3.770 1.00 0.00 H new ATOM 0 HA LYS A 33 20.921 3.291 1.777 1.00 0.00 H new ATOM 0 HB2 LYS A 33 23.942 3.395 1.491 1.00 0.00 H new ATOM 0 HB3 LYS A 33 22.751 4.294 0.572 1.00 0.00 H new ATOM 0 HG2 LYS A 33 23.322 4.675 3.538 1.00 0.00 H new ATOM 0 HG3 LYS A 33 23.958 5.682 2.253 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.744 6.528 1.708 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.973 5.361 2.764 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.089 7.653 3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.880 6.438 4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.074 8.618 4.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.982 7.207 4.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.398 8.098 2.832 1.00 0.00 H new ATOM 482 N MET A 34 22.655 0.539 1.437 1.00 0.00 N ATOM 483 CA MET A 34 22.757 -0.689 0.659 1.00 0.00 C ATOM 484 C MET A 34 21.406 -1.396 0.601 1.00 0.00 C ATOM 485 O MET A 34 21.008 -1.866 -0.463 1.00 0.00 O ATOM 486 CB MET A 34 23.801 -1.652 1.248 1.00 0.00 C ATOM 487 CG MET A 34 25.184 -1.025 1.453 1.00 0.00 C ATOM 488 SD MET A 34 26.494 -2.185 1.956 1.00 0.00 S ATOM 489 CE MET A 34 25.699 -3.071 3.329 1.00 0.00 C ATOM 0 H MET A 34 23.120 0.492 2.343 1.00 0.00 H new ATOM 0 HA MET A 34 23.073 -0.407 -0.345 1.00 0.00 H new ATOM 0 HB2 MET A 34 23.437 -2.024 2.206 1.00 0.00 H new ATOM 0 HB3 MET A 34 23.899 -2.514 0.587 1.00 0.00 H new ATOM 0 HG2 MET A 34 25.487 -0.540 0.525 1.00 0.00 H new ATOM 0 HG3 MET A 34 25.103 -0.244 2.209 1.00 0.00 H new ATOM 0 HE1 MET A 34 26.449 -3.641 3.877 1.00 0.00 H new ATOM 0 HE2 MET A 34 25.227 -2.354 4.000 1.00 0.00 H new ATOM 0 HE3 MET A 34 24.944 -3.751 2.935 1.00 0.00 H new ATOM 499 N ILE A 35 20.700 -1.483 1.735 1.00 0.00 N ATOM 500 CA ILE A 35 19.436 -2.207 1.824 1.00 0.00 C ATOM 501 C ILE A 35 18.260 -1.352 1.325 1.00 0.00 C ATOM 502 O ILE A 35 17.268 -1.917 0.879 1.00 0.00 O ATOM 503 CB ILE A 35 19.239 -2.818 3.236 1.00 0.00 C ATOM 504 CG1 ILE A 35 18.096 -3.858 3.234 1.00 0.00 C ATOM 505 CG2 ILE A 35 19.058 -1.740 4.315 1.00 0.00 C ATOM 506 CD1 ILE A 35 17.892 -4.591 4.564 1.00 0.00 C ATOM 0 H ILE A 35 20.992 -1.053 2.612 1.00 0.00 H new ATOM 0 HA ILE A 35 19.470 -3.059 1.145 1.00 0.00 H new ATOM 0 HB ILE A 35 20.155 -3.348 3.498 1.00 0.00 H new ATOM 0 HG12 ILE A 35 17.167 -3.355 2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 35 18.296 -4.595 2.456 1.00 0.00 H new ATOM 0 HG21 ILE A 35 18.924 -2.216 5.286 1.00 0.00 H new ATOM 0 HG22 ILE A 35 19.941 -1.101 4.343 1.00 0.00 H new ATOM 0 HG23 ILE A 35 18.181 -1.136 4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 35 17.070 -5.300 4.466 1.00 0.00 H new ATOM 0 HD12 ILE A 35 18.804 -5.127 4.828 1.00 0.00 H new ATOM 0 HD13 ILE A 35 17.657 -3.868 5.345 1.00 0.00 H new ATOM 518 N ALA A 36 18.351 -0.017 1.333 1.00 0.00 N ATOM 519 CA ALA A 36 17.279 0.866 0.863 1.00 0.00 C ATOM 520 C ALA A 36 16.699 0.482 -0.520 1.00 0.00 C ATOM 521 O ALA A 36 15.481 0.305 -0.607 1.00 0.00 O ATOM 522 CB ALA A 36 17.746 2.328 0.915 1.00 0.00 C ATOM 0 H ALA A 36 19.175 0.483 1.668 1.00 0.00 H new ATOM 0 HA ALA A 36 16.440 0.737 1.547 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.945 2.979 0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 36 18.005 2.591 1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.621 2.453 0.277 1.00 0.00 H new ATOM 528 N PRO A 37 17.493 0.278 -1.593 1.00 0.00 N ATOM 529 CA PRO A 37 16.941 -0.152 -2.876 1.00 0.00 C ATOM 530 C PRO A 37 16.365 -1.571 -2.818 1.00 0.00 C ATOM 531 O PRO A 37 15.429 -1.884 -3.550 1.00 0.00 O ATOM 532 CB PRO A 37 18.083 -0.034 -3.890 1.00 0.00 C ATOM 533 CG PRO A 37 19.341 -0.145 -3.031 1.00 0.00 C ATOM 534 CD PRO A 37 18.921 0.529 -1.727 1.00 0.00 C ATOM 0 HA PRO A 37 16.097 0.475 -3.163 1.00 0.00 H new ATOM 0 HB2 PRO A 37 18.038 -0.825 -4.638 1.00 0.00 H new ATOM 0 HB3 PRO A 37 18.046 0.914 -4.426 1.00 0.00 H new ATOM 0 HG2 PRO A 37 19.633 -1.183 -2.874 1.00 0.00 H new ATOM 0 HG3 PRO A 37 20.191 0.359 -3.491 1.00 0.00 H new ATOM 0 HD2 PRO A 37 19.471 0.119 -0.880 1.00 0.00 H new ATOM 0 HD3 PRO A 37 19.129 1.599 -1.755 1.00 0.00 H new ATOM 542 N VAL A 38 16.881 -2.430 -1.938 1.00 0.00 N ATOM 543 CA VAL A 38 16.338 -3.761 -1.718 1.00 0.00 C ATOM 544 C VAL A 38 14.953 -3.643 -1.067 1.00 0.00 C ATOM 545 O VAL A 38 14.055 -4.392 -1.440 1.00 0.00 O ATOM 546 CB VAL A 38 17.311 -4.630 -0.889 1.00 0.00 C ATOM 547 CG1 VAL A 38 16.928 -6.110 -0.974 1.00 0.00 C ATOM 548 CG2 VAL A 38 18.766 -4.517 -1.374 1.00 0.00 C ATOM 0 H VAL A 38 17.692 -2.216 -1.357 1.00 0.00 H new ATOM 0 HA VAL A 38 16.219 -4.269 -2.675 1.00 0.00 H new ATOM 0 HB VAL A 38 17.236 -4.257 0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.627 -6.701 -0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.918 -6.247 -0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.965 -6.436 -2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.405 -5.148 -0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 38 18.830 -4.842 -2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.096 -3.481 -1.297 1.00 0.00 H new ATOM 558 N LEU A 39 14.734 -2.692 -0.149 1.00 0.00 N ATOM 559 CA LEU A 39 13.413 -2.412 0.402 1.00 0.00 C ATOM 560 C LEU A 39 12.482 -1.832 -0.657 1.00 0.00 C ATOM 561 O LEU A 39 11.300 -2.157 -0.643 1.00 0.00 O ATOM 562 CB LEU A 39 13.483 -1.472 1.618 1.00 0.00 C ATOM 563 CG LEU A 39 14.187 -2.084 2.841 1.00 0.00 C ATOM 564 CD1 LEU A 39 14.301 -1.034 3.950 1.00 0.00 C ATOM 565 CD2 LEU A 39 13.466 -3.327 3.385 1.00 0.00 C ATOM 0 H LEU A 39 15.472 -2.098 0.229 1.00 0.00 H new ATOM 0 HA LEU A 39 13.007 -3.366 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.005 -0.560 1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.470 -1.184 1.901 1.00 0.00 H new ATOM 0 HG LEU A 39 15.176 -2.403 2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.800 -1.471 4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 39 14.880 -0.184 3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.304 -0.699 4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 39 14.009 -3.714 4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.453 -3.058 3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.424 -4.092 2.609 1.00 0.00 H new ATOM 577 N GLU A 40 12.975 -1.015 -1.591 1.00 0.00 N ATOM 578 CA GLU A 40 12.161 -0.582 -2.725 1.00 0.00 C ATOM 579 C GLU A 40 11.736 -1.782 -3.578 1.00 0.00 C ATOM 580 O GLU A 40 10.574 -1.881 -3.984 1.00 0.00 O ATOM 581 CB GLU A 40 12.873 0.488 -3.566 1.00 0.00 C ATOM 582 CG GLU A 40 12.990 1.826 -2.823 1.00 0.00 C ATOM 583 CD GLU A 40 13.636 2.909 -3.705 1.00 0.00 C ATOM 584 OE1 GLU A 40 12.914 3.578 -4.481 1.00 0.00 O ATOM 585 OE2 GLU A 40 14.866 3.123 -3.618 1.00 0.00 O ATOM 0 H GLU A 40 13.925 -0.644 -1.584 1.00 0.00 H new ATOM 0 HA GLU A 40 11.259 -0.117 -2.327 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.869 0.134 -3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.327 0.638 -4.498 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.000 2.156 -2.508 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.584 1.690 -1.919 1.00 0.00 H new ATOM 592 N GLU A 41 12.644 -2.721 -3.843 1.00 0.00 N ATOM 593 CA GLU A 41 12.298 -3.943 -4.555 1.00 0.00 C ATOM 594 C GLU A 41 11.294 -4.766 -3.746 1.00 0.00 C ATOM 595 O GLU A 41 10.322 -5.261 -4.311 1.00 0.00 O ATOM 596 CB GLU A 41 13.543 -4.765 -4.916 1.00 0.00 C ATOM 597 CG GLU A 41 14.306 -4.139 -6.092 1.00 0.00 C ATOM 598 CD GLU A 41 15.436 -5.059 -6.577 1.00 0.00 C ATOM 599 OE1 GLU A 41 15.158 -5.989 -7.369 1.00 0.00 O ATOM 600 OE2 GLU A 41 16.609 -4.860 -6.189 1.00 0.00 O ATOM 0 H GLU A 41 13.625 -2.655 -3.573 1.00 0.00 H new ATOM 0 HA GLU A 41 11.826 -3.661 -5.496 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.200 -4.833 -4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.247 -5.782 -5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.616 -3.943 -6.913 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.721 -3.178 -5.788 1.00 0.00 H new ATOM 607 N LEU A 42 11.474 -4.862 -2.428 1.00 0.00 N ATOM 608 CA LEU A 42 10.566 -5.578 -1.543 1.00 0.00 C ATOM 609 C LEU A 42 9.171 -4.957 -1.602 1.00 0.00 C ATOM 610 O LEU A 42 8.177 -5.676 -1.681 1.00 0.00 O ATOM 611 CB LEU A 42 11.108 -5.569 -0.102 1.00 0.00 C ATOM 612 CG LEU A 42 10.285 -6.451 0.853 1.00 0.00 C ATOM 613 CD1 LEU A 42 10.409 -7.934 0.487 1.00 0.00 C ATOM 614 CD2 LEU A 42 10.751 -6.211 2.293 1.00 0.00 C ATOM 0 H LEU A 42 12.265 -4.438 -1.943 1.00 0.00 H new ATOM 0 HA LEU A 42 10.494 -6.614 -1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.142 -5.913 -0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.114 -4.545 0.272 1.00 0.00 H new ATOM 0 HG LEU A 42 9.233 -6.179 0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.816 -8.531 1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.045 -8.090 -0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.454 -8.238 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.170 -6.835 2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.807 -6.466 2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.608 -5.162 2.552 1.00 0.00 H new ATOM 626 N ASP A 43 9.087 -3.626 -1.611 1.00 0.00 N ATOM 627 CA ASP A 43 7.829 -2.905 -1.726 1.00 0.00 C ATOM 628 C ASP A 43 7.130 -3.247 -3.033 1.00 0.00 C ATOM 629 O ASP A 43 5.933 -3.527 -3.056 1.00 0.00 O ATOM 630 CB ASP A 43 8.058 -1.393 -1.678 1.00 0.00 C ATOM 631 CG ASP A 43 6.709 -0.676 -1.569 1.00 0.00 C ATOM 632 OD1 ASP A 43 6.020 -0.879 -0.546 1.00 0.00 O ATOM 633 OD2 ASP A 43 6.356 0.096 -2.488 1.00 0.00 O ATOM 0 H ASP A 43 9.902 -3.017 -1.538 1.00 0.00 H new ATOM 0 HA ASP A 43 7.205 -3.206 -0.884 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.688 -1.137 -0.826 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.585 -1.065 -2.574 1.00 0.00 H new ATOM 638 N GLN A 44 7.897 -3.285 -4.121 1.00 0.00 N ATOM 639 CA GLN A 44 7.387 -3.602 -5.448 1.00 0.00 C ATOM 640 C GLN A 44 7.007 -5.089 -5.598 1.00 0.00 C ATOM 641 O GLN A 44 6.355 -5.451 -6.579 1.00 0.00 O ATOM 642 CB GLN A 44 8.411 -3.144 -6.496 1.00 0.00 C ATOM 643 CG GLN A 44 8.510 -1.608 -6.532 1.00 0.00 C ATOM 644 CD GLN A 44 9.710 -1.153 -7.360 1.00 0.00 C ATOM 645 OE1 GLN A 44 9.604 -0.867 -8.551 1.00 0.00 O ATOM 646 NE2 GLN A 44 10.877 -1.090 -6.744 1.00 0.00 N ATOM 0 H GLN A 44 8.899 -3.094 -4.103 1.00 0.00 H new ATOM 0 HA GLN A 44 6.455 -3.060 -5.607 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.388 -3.570 -6.267 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.123 -3.517 -7.479 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.595 -1.191 -6.953 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.598 -1.222 -5.516 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.945 -1.331 -5.755 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.710 -0.800 -7.257 1.00 0.00 H new ATOM 655 N GLU A 45 7.369 -5.947 -4.638 1.00 0.00 N ATOM 656 CA GLU A 45 7.117 -7.383 -4.648 1.00 0.00 C ATOM 657 C GLU A 45 5.998 -7.760 -3.678 1.00 0.00 C ATOM 658 O GLU A 45 5.300 -8.747 -3.917 1.00 0.00 O ATOM 659 CB GLU A 45 8.407 -8.130 -4.264 1.00 0.00 C ATOM 660 CG GLU A 45 9.443 -8.135 -5.399 1.00 0.00 C ATOM 661 CD GLU A 45 9.065 -9.092 -6.546 1.00 0.00 C ATOM 662 OE1 GLU A 45 9.448 -10.283 -6.502 1.00 0.00 O ATOM 663 OE2 GLU A 45 8.409 -8.660 -7.521 1.00 0.00 O ATOM 0 H GLU A 45 7.866 -5.642 -3.801 1.00 0.00 H new ATOM 0 HA GLU A 45 6.803 -7.668 -5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.843 -7.665 -3.380 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.162 -9.158 -3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.548 -7.125 -5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.415 -8.422 -4.997 1.00 0.00 H new ATOM 670 N MET A 46 5.805 -6.984 -2.607 1.00 0.00 N ATOM 671 CA MET A 46 4.935 -7.360 -1.495 1.00 0.00 C ATOM 672 C MET A 46 3.959 -6.261 -1.082 1.00 0.00 C ATOM 673 O MET A 46 3.170 -6.493 -0.169 1.00 0.00 O ATOM 674 CB MET A 46 5.785 -7.781 -0.288 1.00 0.00 C ATOM 675 CG MET A 46 6.810 -8.867 -0.619 1.00 0.00 C ATOM 676 SD MET A 46 7.246 -9.869 0.817 1.00 0.00 S ATOM 677 CE MET A 46 5.889 -11.066 0.733 1.00 0.00 C ATOM 0 H MET A 46 6.251 -6.074 -2.489 1.00 0.00 H new ATOM 0 HA MET A 46 4.329 -8.195 -1.846 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.306 -6.907 0.103 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.127 -8.141 0.503 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.410 -9.513 -1.401 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.710 -8.402 -1.020 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.983 -11.781 1.550 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.937 -10.543 0.817 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.929 -11.595 -0.219 1.00 0.00 H new ATOM 687 N GLY A 47 3.963 -5.096 -1.734 1.00 0.00 N ATOM 688 CA GLY A 47 3.129 -3.940 -1.386 1.00 0.00 C ATOM 689 C GLY A 47 1.616 -4.196 -1.331 1.00 0.00 C ATOM 690 O GLY A 47 0.864 -3.340 -0.864 1.00 0.00 O ATOM 0 H GLY A 47 4.563 -4.925 -2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.450 -3.565 -0.414 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.318 -3.149 -2.112 1.00 0.00 H new ATOM 694 N ASP A 48 1.150 -5.355 -1.795 1.00 0.00 N ATOM 695 CA ASP A 48 -0.235 -5.800 -1.673 1.00 0.00 C ATOM 696 C ASP A 48 -0.583 -6.215 -0.235 1.00 0.00 C ATOM 697 O ASP A 48 -1.731 -6.075 0.191 1.00 0.00 O ATOM 698 CB ASP A 48 -0.474 -6.974 -2.628 1.00 0.00 C ATOM 699 CG ASP A 48 -1.928 -7.464 -2.562 1.00 0.00 C ATOM 700 OD1 ASP A 48 -2.835 -6.752 -3.049 1.00 0.00 O ATOM 701 OD2 ASP A 48 -2.161 -8.582 -2.052 1.00 0.00 O ATOM 0 H ASP A 48 1.744 -6.028 -2.280 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.883 -4.963 -1.935 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.237 -6.670 -3.647 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.199 -7.793 -2.375 1.00 0.00 H new ATOM 706 N LYS A 49 0.409 -6.697 0.527 1.00 0.00 N ATOM 707 CA LYS A 49 0.264 -7.229 1.886 1.00 0.00 C ATOM 708 C LYS A 49 1.203 -6.560 2.888 1.00 0.00 C ATOM 709 O LYS A 49 0.993 -6.715 4.092 1.00 0.00 O ATOM 710 CB LYS A 49 0.559 -8.742 1.864 1.00 0.00 C ATOM 711 CG LYS A 49 -0.478 -9.551 1.075 1.00 0.00 C ATOM 712 CD LYS A 49 -1.822 -9.636 1.822 1.00 0.00 C ATOM 713 CE LYS A 49 -2.844 -10.528 1.107 1.00 0.00 C ATOM 714 NZ LYS A 49 -3.519 -9.844 -0.022 1.00 0.00 N ATOM 0 H LYS A 49 1.374 -6.727 0.198 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.757 -7.025 2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.545 -8.907 1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.596 -9.113 2.888 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.633 -9.091 0.099 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.096 -10.556 0.897 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.650 -10.022 2.827 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.235 -8.633 1.932 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.342 -11.421 0.736 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.594 -10.859 1.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.082 -10.534 -0.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.145 -9.100 0.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.805 -9.418 -0.647 1.00 0.00 H new ATOM 728 N LEU A 50 2.221 -5.833 2.422 1.00 0.00 N ATOM 729 CA LEU A 50 3.293 -5.307 3.249 1.00 0.00 C ATOM 730 C LEU A 50 3.328 -3.791 3.149 1.00 0.00 C ATOM 731 O LEU A 50 3.175 -3.229 2.067 1.00 0.00 O ATOM 732 CB LEU A 50 4.629 -5.886 2.756 1.00 0.00 C ATOM 733 CG LEU A 50 5.869 -5.421 3.539 1.00 0.00 C ATOM 734 CD1 LEU A 50 5.826 -5.912 4.987 1.00 0.00 C ATOM 735 CD2 LEU A 50 7.128 -5.933 2.843 1.00 0.00 C ATOM 0 H LEU A 50 2.319 -5.592 1.436 1.00 0.00 H new ATOM 0 HA LEU A 50 3.125 -5.588 4.289 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.575 -6.974 2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.759 -5.618 1.707 1.00 0.00 H new ATOM 0 HG LEU A 50 5.880 -4.331 3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.715 -5.568 5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.937 -5.517 5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.795 -7.001 5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.008 -5.605 3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.107 -7.022 2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.169 -5.538 1.828 1.00 0.00 H new ATOM 747 N LYS A 51 3.622 -3.148 4.273 1.00 0.00 N ATOM 748 CA LYS A 51 3.957 -1.732 4.363 1.00 0.00 C ATOM 749 C LYS A 51 5.384 -1.700 4.901 1.00 0.00 C ATOM 750 O LYS A 51 5.740 -2.546 5.724 1.00 0.00 O ATOM 751 CB LYS A 51 2.962 -1.020 5.296 1.00 0.00 C ATOM 752 CG LYS A 51 3.213 0.496 5.400 1.00 0.00 C ATOM 753 CD LYS A 51 2.464 1.144 6.569 1.00 0.00 C ATOM 754 CE LYS A 51 0.946 1.148 6.364 1.00 0.00 C ATOM 755 NZ LYS A 51 0.272 1.810 7.496 1.00 0.00 N ATOM 0 H LYS A 51 3.634 -3.615 5.179 1.00 0.00 H new ATOM 0 HA LYS A 51 3.894 -1.212 3.407 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.948 -1.191 4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.025 -1.462 6.290 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.282 0.675 5.515 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.908 0.975 4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.702 0.610 7.489 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.813 2.169 6.696 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.700 1.663 5.435 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.584 0.125 6.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.758 1.773 7.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.519 1.322 8.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.579 2.802 7.551 1.00 0.00 H new ATOM 769 N ILE A 52 6.195 -0.740 4.474 1.00 0.00 N ATOM 770 CA ILE A 52 7.552 -0.570 4.980 1.00 0.00 C ATOM 771 C ILE A 52 7.559 0.790 5.672 1.00 0.00 C ATOM 772 O ILE A 52 6.951 1.726 5.157 1.00 0.00 O ATOM 773 CB ILE A 52 8.574 -0.729 3.830 1.00 0.00 C ATOM 774 CG1 ILE A 52 8.480 -2.156 3.232 1.00 0.00 C ATOM 775 CG2 ILE A 52 10.008 -0.417 4.297 1.00 0.00 C ATOM 776 CD1 ILE A 52 9.420 -2.415 2.050 1.00 0.00 C ATOM 0 H ILE A 52 5.930 -0.056 3.766 1.00 0.00 H new ATOM 0 HA ILE A 52 7.852 -1.330 5.701 1.00 0.00 H new ATOM 0 HB ILE A 52 8.327 -0.006 3.053 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.697 -2.880 4.017 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.454 -2.334 2.909 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.697 -0.540 3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.057 0.609 4.660 1.00 0.00 H new ATOM 0 HG23 ILE A 52 10.286 -1.100 5.100 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.286 -3.437 1.696 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.191 -1.719 1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.453 -2.274 2.369 1.00 0.00 H new ATOM 788 N VAL A 53 8.194 0.916 6.838 1.00 0.00 N ATOM 789 CA VAL A 53 8.071 2.116 7.671 1.00 0.00 C ATOM 790 C VAL A 53 9.468 2.557 8.112 1.00 0.00 C ATOM 791 O VAL A 53 10.022 2.032 9.077 1.00 0.00 O ATOM 792 CB VAL A 53 7.082 1.855 8.835 1.00 0.00 C ATOM 793 CG1 VAL A 53 6.993 3.043 9.806 1.00 0.00 C ATOM 794 CG2 VAL A 53 5.659 1.600 8.309 1.00 0.00 C ATOM 0 H VAL A 53 8.803 0.198 7.230 1.00 0.00 H new ATOM 0 HA VAL A 53 7.644 2.948 7.110 1.00 0.00 H new ATOM 0 HB VAL A 53 7.471 0.980 9.356 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.287 2.809 10.603 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.976 3.235 10.237 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.653 3.928 9.268 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.988 1.420 9.149 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.316 2.471 7.750 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.664 0.728 7.655 1.00 0.00 H new ATOM 804 N LYS A 54 10.072 3.511 7.402 1.00 0.00 N ATOM 805 CA LYS A 54 11.382 4.037 7.781 1.00 0.00 C ATOM 806 C LYS A 54 11.197 4.941 9.000 1.00 0.00 C ATOM 807 O LYS A 54 10.247 5.732 9.042 1.00 0.00 O ATOM 808 CB LYS A 54 12.036 4.791 6.607 1.00 0.00 C ATOM 809 CG LYS A 54 12.203 3.917 5.352 1.00 0.00 C ATOM 810 CD LYS A 54 12.887 4.665 4.198 1.00 0.00 C ATOM 811 CE LYS A 54 14.328 5.072 4.546 1.00 0.00 C ATOM 812 NZ LYS A 54 15.014 5.734 3.409 1.00 0.00 N ATOM 0 H LYS A 54 9.675 3.934 6.563 1.00 0.00 H new ATOM 0 HA LYS A 54 12.055 3.218 8.035 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.430 5.662 6.359 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.013 5.161 6.919 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.788 3.033 5.605 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.224 3.568 5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.894 4.033 3.310 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.309 5.555 3.951 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.317 5.745 5.403 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.892 4.188 4.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.982 5.991 3.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.049 5.083 2.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.492 6.593 3.141 1.00 0.00 H new ATOM 826 N ILE A 55 12.102 4.871 9.975 1.00 0.00 N ATOM 827 CA ILE A 55 12.072 5.729 11.154 1.00 0.00 C ATOM 828 C ILE A 55 13.511 6.122 11.514 1.00 0.00 C ATOM 829 O ILE A 55 14.402 5.273 11.625 1.00 0.00 O ATOM 830 CB ILE A 55 11.243 5.074 12.289 1.00 0.00 C ATOM 831 CG1 ILE A 55 11.150 6.030 13.498 1.00 0.00 C ATOM 832 CG2 ILE A 55 11.745 3.678 12.703 1.00 0.00 C ATOM 833 CD1 ILE A 55 10.048 5.653 14.495 1.00 0.00 C ATOM 0 H ILE A 55 12.881 4.212 9.967 1.00 0.00 H new ATOM 0 HA ILE A 55 11.547 6.664 10.958 1.00 0.00 H new ATOM 0 HB ILE A 55 10.243 4.905 11.889 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.109 6.041 14.016 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.971 7.043 13.137 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.114 3.286 13.501 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.703 3.007 11.845 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.774 3.751 13.056 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.041 6.368 15.318 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.081 5.670 13.992 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.237 4.653 14.885 1.00 0.00 H new ATOM 845 N ASP A 56 13.727 7.439 11.613 1.00 0.00 N ATOM 846 CA ASP A 56 15.031 8.053 11.846 1.00 0.00 C ATOM 847 C ASP A 56 15.323 8.011 13.341 1.00 0.00 C ATOM 848 O ASP A 56 14.712 8.762 14.106 1.00 0.00 O ATOM 849 CB ASP A 56 15.059 9.497 11.325 1.00 0.00 C ATOM 850 CG ASP A 56 16.368 10.242 11.667 1.00 0.00 C ATOM 851 OD1 ASP A 56 17.343 9.621 12.144 1.00 0.00 O ATOM 852 OD2 ASP A 56 16.413 11.468 11.416 1.00 0.00 O ATOM 0 H ASP A 56 12.975 8.123 11.530 1.00 0.00 H new ATOM 0 HA ASP A 56 15.798 7.500 11.304 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.925 9.489 10.243 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.216 10.045 11.746 1.00 0.00 H new ATOM 857 N VAL A 57 16.209 7.114 13.770 1.00 0.00 N ATOM 858 CA VAL A 57 16.482 6.865 15.179 1.00 0.00 C ATOM 859 C VAL A 57 17.001 8.112 15.896 1.00 0.00 C ATOM 860 O VAL A 57 16.785 8.236 17.099 1.00 0.00 O ATOM 861 CB VAL A 57 17.430 5.659 15.361 1.00 0.00 C ATOM 862 CG1 VAL A 57 16.815 4.396 14.746 1.00 0.00 C ATOM 863 CG2 VAL A 57 18.839 5.859 14.780 1.00 0.00 C ATOM 0 H VAL A 57 16.763 6.534 13.139 1.00 0.00 H new ATOM 0 HA VAL A 57 15.533 6.610 15.651 1.00 0.00 H new ATOM 0 HB VAL A 57 17.548 5.554 16.440 1.00 0.00 H new ATOM 0 HG11 VAL A 57 17.496 3.556 14.883 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.866 4.178 15.236 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.645 4.555 13.681 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.435 4.963 14.954 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.768 6.045 13.708 1.00 0.00 H new ATOM 0 HG23 VAL A 57 19.315 6.711 15.266 1.00 0.00 H new ATOM 873 N ASP A 58 17.633 9.057 15.188 1.00 0.00 N ATOM 874 CA ASP A 58 18.200 10.253 15.815 1.00 0.00 C ATOM 875 C ASP A 58 17.108 11.137 16.426 1.00 0.00 C ATOM 876 O ASP A 58 17.343 11.819 17.420 1.00 0.00 O ATOM 877 CB ASP A 58 19.020 11.055 14.802 1.00 0.00 C ATOM 878 CG ASP A 58 19.695 12.266 15.469 1.00 0.00 C ATOM 879 OD1 ASP A 58 20.601 12.070 16.311 1.00 0.00 O ATOM 880 OD2 ASP A 58 19.367 13.421 15.116 1.00 0.00 O ATOM 0 H ASP A 58 17.764 9.014 14.177 1.00 0.00 H new ATOM 0 HA ASP A 58 18.857 9.922 16.620 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.779 10.413 14.354 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.373 11.395 13.994 1.00 0.00 H new ATOM 885 N GLU A 59 15.887 11.063 15.891 1.00 0.00 N ATOM 886 CA GLU A 59 14.729 11.840 16.329 1.00 0.00 C ATOM 887 C GLU A 59 13.708 10.941 17.046 1.00 0.00 C ATOM 888 O GLU A 59 12.607 11.386 17.370 1.00 0.00 O ATOM 889 CB GLU A 59 14.099 12.492 15.084 1.00 0.00 C ATOM 890 CG GLU A 59 14.926 13.649 14.502 1.00 0.00 C ATOM 891 CD GLU A 59 14.828 14.926 15.362 1.00 0.00 C ATOM 892 OE1 GLU A 59 13.899 15.738 15.144 1.00 0.00 O ATOM 893 OE2 GLU A 59 15.682 15.146 16.249 1.00 0.00 O ATOM 0 H GLU A 59 15.672 10.438 15.114 1.00 0.00 H new ATOM 0 HA GLU A 59 15.040 12.607 17.039 1.00 0.00 H new ATOM 0 HB2 GLU A 59 13.966 11.731 14.315 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.107 12.861 15.342 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.970 13.344 14.425 1.00 0.00 H new ATOM 0 HG3 GLU A 59 14.582 13.867 13.491 1.00 0.00 H new ATOM 900 N ASN A 60 14.056 9.670 17.282 1.00 0.00 N ATOM 901 CA ASN A 60 13.128 8.621 17.728 1.00 0.00 C ATOM 902 C ASN A 60 13.850 7.635 18.644 1.00 0.00 C ATOM 903 O ASN A 60 13.662 6.417 18.563 1.00 0.00 O ATOM 904 CB ASN A 60 12.483 7.910 16.526 1.00 0.00 C ATOM 905 CG ASN A 60 11.562 8.837 15.748 1.00 0.00 C ATOM 906 OD1 ASN A 60 10.432 9.091 16.153 1.00 0.00 O ATOM 907 ND2 ASN A 60 12.020 9.364 14.625 1.00 0.00 N ATOM 0 H ASN A 60 15.012 9.334 17.166 1.00 0.00 H new ATOM 0 HA ASN A 60 12.323 9.084 18.298 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.264 7.534 15.864 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.918 7.046 16.875 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.431 9.993 14.080 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.962 9.141 14.304 1.00 0.00 H new ATOM 914 N GLN A 61 14.716 8.170 19.504 1.00 0.00 N ATOM 915 CA GLN A 61 15.495 7.408 20.470 1.00 0.00 C ATOM 916 C GLN A 61 14.571 6.607 21.394 1.00 0.00 C ATOM 917 O GLN A 61 14.944 5.531 21.854 1.00 0.00 O ATOM 918 CB GLN A 61 16.369 8.381 21.276 1.00 0.00 C ATOM 919 CG GLN A 61 17.455 9.049 20.412 1.00 0.00 C ATOM 920 CD GLN A 61 17.873 10.408 20.970 1.00 0.00 C ATOM 921 OE1 GLN A 61 18.347 10.526 22.098 1.00 0.00 O ATOM 922 NE2 GLN A 61 17.687 11.468 20.200 1.00 0.00 N ATOM 0 H GLN A 61 14.897 9.173 19.546 1.00 0.00 H new ATOM 0 HA GLN A 61 16.134 6.696 19.948 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.737 9.151 21.719 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.842 7.844 22.098 1.00 0.00 H new ATOM 0 HG2 GLN A 61 18.326 8.396 20.356 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.084 9.173 19.395 1.00 0.00 H new ATOM 0 HE21 GLN A 61 17.293 11.357 19.266 1.00 0.00 H new ATOM 0 HE22 GLN A 61 17.938 12.396 20.541 1.00 0.00 H new ATOM 931 N GLU A 62 13.358 7.105 21.644 1.00 0.00 N ATOM 932 CA GLU A 62 12.349 6.453 22.458 1.00 0.00 C ATOM 933 C GLU A 62 11.893 5.156 21.784 1.00 0.00 C ATOM 934 O GLU A 62 11.925 4.096 22.407 1.00 0.00 O ATOM 935 CB GLU A 62 11.148 7.395 22.677 1.00 0.00 C ATOM 936 CG GLU A 62 11.470 8.697 23.437 1.00 0.00 C ATOM 937 CD GLU A 62 12.252 9.768 22.643 1.00 0.00 C ATOM 938 OE1 GLU A 62 12.344 9.696 21.395 1.00 0.00 O ATOM 939 OE2 GLU A 62 12.779 10.710 23.280 1.00 0.00 O ATOM 0 H GLU A 62 13.048 8.002 21.270 1.00 0.00 H new ATOM 0 HA GLU A 62 12.780 6.212 23.430 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.727 7.654 21.706 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.376 6.854 23.225 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.533 9.137 23.777 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.044 8.442 24.328 1.00 0.00 H new ATOM 946 N THR A 63 11.512 5.212 20.506 1.00 0.00 N ATOM 947 CA THR A 63 11.031 4.059 19.759 1.00 0.00 C ATOM 948 C THR A 63 12.173 3.055 19.564 1.00 0.00 C ATOM 949 O THR A 63 11.966 1.854 19.676 1.00 0.00 O ATOM 950 CB THR A 63 10.468 4.518 18.404 1.00 0.00 C ATOM 951 OG1 THR A 63 10.009 5.860 18.453 1.00 0.00 O ATOM 952 CG2 THR A 63 9.326 3.628 17.906 1.00 0.00 C ATOM 0 H THR A 63 11.531 6.072 19.958 1.00 0.00 H new ATOM 0 HA THR A 63 10.233 3.569 20.316 1.00 0.00 H new ATOM 0 HB THR A 63 11.300 4.440 17.705 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.660 6.119 17.575 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.968 3.999 16.946 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.686 2.606 17.788 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.510 3.644 18.629 1.00 0.00 H new ATOM 960 N ALA A 64 13.397 3.523 19.315 1.00 0.00 N ATOM 961 CA ALA A 64 14.576 2.666 19.279 1.00 0.00 C ATOM 962 C ALA A 64 14.757 1.955 20.626 1.00 0.00 C ATOM 963 O ALA A 64 14.884 0.730 20.667 1.00 0.00 O ATOM 964 CB ALA A 64 15.800 3.514 18.904 1.00 0.00 C ATOM 0 H ALA A 64 13.596 4.507 19.133 1.00 0.00 H new ATOM 0 HA ALA A 64 14.454 1.890 18.523 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.686 2.880 18.875 1.00 0.00 H new ATOM 0 HB2 ALA A 64 15.644 3.965 17.924 1.00 0.00 H new ATOM 0 HB3 ALA A 64 15.940 4.300 19.647 1.00 0.00 H new ATOM 970 N GLY A 65 14.689 2.700 21.732 1.00 0.00 N ATOM 971 CA GLY A 65 14.789 2.161 23.082 1.00 0.00 C ATOM 972 C GLY A 65 13.682 1.152 23.390 1.00 0.00 C ATOM 973 O GLY A 65 13.914 0.210 24.147 1.00 0.00 O ATOM 0 H GLY A 65 14.561 3.712 21.709 1.00 0.00 H new ATOM 0 HA2 GLY A 65 15.760 1.681 23.208 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.742 2.979 23.801 1.00 0.00 H new ATOM 977 N LYS A 66 12.509 1.293 22.759 1.00 0.00 N ATOM 978 CA LYS A 66 11.355 0.412 22.926 1.00 0.00 C ATOM 979 C LYS A 66 11.712 -1.049 22.636 1.00 0.00 C ATOM 980 O LYS A 66 11.128 -1.939 23.256 1.00 0.00 O ATOM 981 CB LYS A 66 10.208 0.906 22.030 1.00 0.00 C ATOM 982 CG LYS A 66 8.851 0.323 22.444 1.00 0.00 C ATOM 983 CD LYS A 66 7.721 1.064 21.722 1.00 0.00 C ATOM 984 CE LYS A 66 6.378 0.359 21.954 1.00 0.00 C ATOM 985 NZ LYS A 66 5.266 1.014 21.222 1.00 0.00 N ATOM 0 H LYS A 66 12.336 2.050 22.097 1.00 0.00 H new ATOM 0 HA LYS A 66 11.031 0.447 23.966 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.161 1.994 22.071 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.416 0.635 20.995 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.813 -0.739 22.202 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.723 0.409 23.523 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.665 2.092 22.081 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.934 1.111 20.654 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.456 -0.681 21.637 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.153 0.351 23.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.379 0.504 21.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.172 1.999 21.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.466 0.999 20.201 1.00 0.00 H new ATOM 999 N TYR A 67 12.691 -1.295 21.757 1.00 0.00 N ATOM 1000 CA TYR A 67 13.142 -2.643 21.400 1.00 0.00 C ATOM 1001 C TYR A 67 14.647 -2.826 21.644 1.00 0.00 C ATOM 1002 O TYR A 67 15.225 -3.825 21.212 1.00 0.00 O ATOM 1003 CB TYR A 67 12.764 -2.963 19.943 1.00 0.00 C ATOM 1004 CG TYR A 67 11.487 -2.308 19.459 1.00 0.00 C ATOM 1005 CD1 TYR A 67 10.229 -2.809 19.842 1.00 0.00 C ATOM 1006 CD2 TYR A 67 11.571 -1.123 18.709 1.00 0.00 C ATOM 1007 CE1 TYR A 67 9.057 -2.125 19.470 1.00 0.00 C ATOM 1008 CE2 TYR A 67 10.410 -0.428 18.351 1.00 0.00 C ATOM 1009 CZ TYR A 67 9.141 -0.928 18.723 1.00 0.00 C ATOM 1010 OH TYR A 67 7.999 -0.260 18.402 1.00 0.00 O ATOM 0 H TYR A 67 13.197 -0.555 21.269 1.00 0.00 H new ATOM 0 HA TYR A 67 12.631 -3.352 22.051 1.00 0.00 H new ATOM 0 HB2 TYR A 67 13.583 -2.654 19.294 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.664 -4.043 19.837 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.163 -3.718 20.421 1.00 0.00 H new ATOM 0 HD2 TYR A 67 12.537 -0.746 18.407 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.091 -2.515 19.756 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.484 0.492 17.790 1.00 0.00 H new ATOM 0 HH TYR A 67 7.997 -0.058 17.443 1.00 0.00 H new ATOM 1020 N GLY A 68 15.298 -1.869 22.318 1.00 0.00 N ATOM 1021 CA GLY A 68 16.736 -1.883 22.558 1.00 0.00 C ATOM 1022 C GLY A 68 17.555 -1.780 21.268 1.00 0.00 C ATOM 1023 O GLY A 68 18.664 -2.316 21.210 1.00 0.00 O ATOM 0 H GLY A 68 14.829 -1.055 22.715 1.00 0.00 H new ATOM 0 HA2 GLY A 68 16.998 -1.054 23.216 1.00 0.00 H new ATOM 0 HA3 GLY A 68 17.003 -2.802 23.080 1.00 0.00 H new ATOM 1027 N VAL A 69 17.023 -1.133 20.224 1.00 0.00 N ATOM 1028 CA VAL A 69 17.769 -0.826 19.007 1.00 0.00 C ATOM 1029 C VAL A 69 18.926 0.098 19.412 1.00 0.00 C ATOM 1030 O VAL A 69 18.704 1.136 20.040 1.00 0.00 O ATOM 1031 CB VAL A 69 16.840 -0.193 17.943 1.00 0.00 C ATOM 1032 CG1 VAL A 69 17.592 0.084 16.635 1.00 0.00 C ATOM 1033 CG2 VAL A 69 15.612 -1.071 17.641 1.00 0.00 C ATOM 0 H VAL A 69 16.057 -0.808 20.204 1.00 0.00 H new ATOM 0 HA VAL A 69 18.172 -1.728 18.545 1.00 0.00 H new ATOM 0 HB VAL A 69 16.495 0.749 18.369 1.00 0.00 H new ATOM 0 HG11 VAL A 69 16.910 0.528 15.910 1.00 0.00 H new ATOM 0 HG12 VAL A 69 18.415 0.772 16.827 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.986 -0.851 16.237 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.992 -0.583 16.889 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.941 -2.040 17.267 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.032 -1.212 18.553 1.00 0.00 H new ATOM 1043 N MET A 70 20.155 -0.288 19.060 1.00 0.00 N ATOM 1044 CA MET A 70 21.386 0.421 19.424 1.00 0.00 C ATOM 1045 C MET A 70 22.360 0.493 18.231 1.00 0.00 C ATOM 1046 O MET A 70 23.439 1.078 18.340 1.00 0.00 O ATOM 1047 CB MET A 70 21.997 -0.287 20.651 1.00 0.00 C ATOM 1048 CG MET A 70 23.059 0.526 21.405 1.00 0.00 C ATOM 1049 SD MET A 70 22.485 2.111 22.082 1.00 0.00 S ATOM 1050 CE MET A 70 24.023 2.680 22.857 1.00 0.00 C ATOM 0 H MET A 70 20.327 -1.123 18.500 1.00 0.00 H new ATOM 0 HA MET A 70 21.168 1.456 19.686 1.00 0.00 H new ATOM 0 HB2 MET A 70 21.194 -0.539 21.344 1.00 0.00 H new ATOM 0 HB3 MET A 70 22.443 -1.226 20.325 1.00 0.00 H new ATOM 0 HG2 MET A 70 23.445 -0.082 22.223 1.00 0.00 H new ATOM 0 HG3 MET A 70 23.893 0.718 20.730 1.00 0.00 H new ATOM 0 HE1 MET A 70 23.857 3.649 23.327 1.00 0.00 H new ATOM 0 HE2 MET A 70 24.338 1.960 23.612 1.00 0.00 H new ATOM 0 HE3 MET A 70 24.800 2.774 22.098 1.00 0.00 H new ATOM 1060 N SER A 71 21.964 -0.059 17.081 1.00 0.00 N ATOM 1061 CA SER A 71 22.708 -0.089 15.833 1.00 0.00 C ATOM 1062 C SER A 71 21.695 0.033 14.692 1.00 0.00 C ATOM 1063 O SER A 71 20.502 -0.208 14.902 1.00 0.00 O ATOM 1064 CB SER A 71 23.492 -1.408 15.720 1.00 0.00 C ATOM 1065 OG SER A 71 24.348 -1.617 16.835 1.00 0.00 O ATOM 0 H SER A 71 21.060 -0.523 16.999 1.00 0.00 H new ATOM 0 HA SER A 71 23.426 0.730 15.790 1.00 0.00 H new ATOM 0 HB2 SER A 71 22.792 -2.240 15.640 1.00 0.00 H new ATOM 0 HB3 SER A 71 24.084 -1.400 14.805 1.00 0.00 H new ATOM 0 HG SER A 71 24.826 -2.465 16.726 1.00 0.00 H new ATOM 1071 N ILE A 72 22.155 0.380 13.489 1.00 0.00 N ATOM 1072 CA ILE A 72 21.329 0.497 12.289 1.00 0.00 C ATOM 1073 C ILE A 72 22.139 -0.006 11.072 1.00 0.00 C ATOM 1074 O ILE A 72 23.372 0.048 11.126 1.00 0.00 O ATOM 1075 CB ILE A 72 20.814 1.948 12.105 1.00 0.00 C ATOM 1076 CG1 ILE A 72 21.945 3.001 12.044 1.00 0.00 C ATOM 1077 CG2 ILE A 72 19.789 2.311 13.199 1.00 0.00 C ATOM 1078 CD1 ILE A 72 21.446 4.388 11.625 1.00 0.00 C ATOM 0 H ILE A 72 23.138 0.593 13.319 1.00 0.00 H new ATOM 0 HA ILE A 72 20.440 -0.126 12.389 1.00 0.00 H new ATOM 0 HB ILE A 72 20.322 1.972 11.133 1.00 0.00 H new ATOM 0 HG12 ILE A 72 22.422 3.072 13.022 1.00 0.00 H new ATOM 0 HG13 ILE A 72 22.708 2.667 11.341 1.00 0.00 H new ATOM 0 HG21 ILE A 72 19.443 3.333 13.048 1.00 0.00 H new ATOM 0 HG22 ILE A 72 18.941 1.629 13.144 1.00 0.00 H new ATOM 0 HG23 ILE A 72 20.258 2.228 14.179 1.00 0.00 H new ATOM 0 HD11 ILE A 72 22.284 5.084 11.600 1.00 0.00 H new ATOM 0 HD12 ILE A 72 20.994 4.328 10.635 1.00 0.00 H new ATOM 0 HD13 ILE A 72 20.704 4.739 12.342 1.00 0.00 H new ATOM 1090 N PRO A 73 21.506 -0.487 9.981 1.00 0.00 N ATOM 1091 CA PRO A 73 20.067 -0.667 9.821 1.00 0.00 C ATOM 1092 C PRO A 73 19.564 -1.776 10.743 1.00 0.00 C ATOM 1093 O PRO A 73 20.195 -2.832 10.859 1.00 0.00 O ATOM 1094 CB PRO A 73 19.852 -1.040 8.349 1.00 0.00 C ATOM 1095 CG PRO A 73 21.166 -1.705 7.947 1.00 0.00 C ATOM 1096 CD PRO A 73 22.204 -0.971 8.796 1.00 0.00 C ATOM 0 HA PRO A 73 19.516 0.236 10.084 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.007 -1.718 8.227 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.646 -0.160 7.739 1.00 0.00 H new ATOM 0 HG2 PRO A 73 21.157 -2.774 8.158 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.365 -1.592 6.881 1.00 0.00 H new ATOM 0 HD2 PRO A 73 23.020 -1.638 9.073 1.00 0.00 H new ATOM 0 HD3 PRO A 73 22.644 -0.143 8.240 1.00 0.00 H new ATOM 1104 N THR A 74 18.411 -1.543 11.360 1.00 0.00 N ATOM 1105 CA THR A 74 17.726 -2.538 12.169 1.00 0.00 C ATOM 1106 C THR A 74 16.285 -2.585 11.679 1.00 0.00 C ATOM 1107 O THR A 74 15.704 -1.564 11.312 1.00 0.00 O ATOM 1108 CB THR A 74 17.894 -2.203 13.661 1.00 0.00 C ATOM 1109 OG1 THR A 74 19.247 -2.390 14.017 1.00 0.00 O ATOM 1110 CG2 THR A 74 17.050 -3.098 14.574 1.00 0.00 C ATOM 0 H THR A 74 17.923 -0.649 11.311 1.00 0.00 H new ATOM 0 HA THR A 74 18.146 -3.538 12.064 1.00 0.00 H new ATOM 0 HB THR A 74 17.565 -1.173 13.795 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.588 -1.577 14.445 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.212 -2.813 15.614 1.00 0.00 H new ATOM 0 HG22 THR A 74 15.995 -2.980 14.325 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.342 -4.139 14.434 1.00 0.00 H new ATOM 1118 N LEU A 75 15.718 -3.784 11.632 1.00 0.00 N ATOM 1119 CA LEU A 75 14.448 -4.065 10.998 1.00 0.00 C ATOM 1120 C LEU A 75 13.557 -4.677 12.065 1.00 0.00 C ATOM 1121 O LEU A 75 13.957 -5.650 12.709 1.00 0.00 O ATOM 1122 CB LEU A 75 14.632 -5.037 9.820 1.00 0.00 C ATOM 1123 CG LEU A 75 15.589 -4.573 8.704 1.00 0.00 C ATOM 1124 CD1 LEU A 75 15.688 -5.671 7.639 1.00 0.00 C ATOM 1125 CD2 LEU A 75 15.173 -3.251 8.050 1.00 0.00 C ATOM 0 H LEU A 75 16.148 -4.610 12.049 1.00 0.00 H new ATOM 0 HA LEU A 75 14.004 -3.156 10.593 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.996 -5.987 10.212 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.655 -5.229 9.377 1.00 0.00 H new ATOM 0 HG LEU A 75 16.558 -4.392 9.169 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.364 -5.349 6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 75 16.071 -6.585 8.093 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.700 -5.861 7.219 1.00 0.00 H new ATOM 0 HD21 LEU A 75 15.892 -2.987 7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 75 14.184 -3.360 7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.147 -2.464 8.804 1.00 0.00 H new ATOM 1137 N LEU A 76 12.364 -4.124 12.253 1.00 0.00 N ATOM 1138 CA LEU A 76 11.382 -4.640 13.205 1.00 0.00 C ATOM 1139 C LEU A 76 10.225 -5.071 12.328 1.00 0.00 C ATOM 1140 O LEU A 76 9.722 -4.276 11.536 1.00 0.00 O ATOM 1141 CB LEU A 76 10.956 -3.564 14.231 1.00 0.00 C ATOM 1142 CG LEU A 76 11.856 -3.359 15.472 1.00 0.00 C ATOM 1143 CD1 LEU A 76 11.741 -4.547 16.433 1.00 0.00 C ATOM 1144 CD2 LEU A 76 13.326 -3.127 15.116 1.00 0.00 C ATOM 0 H LEU A 76 12.047 -3.298 11.746 1.00 0.00 H new ATOM 0 HA LEU A 76 11.775 -5.457 13.811 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.884 -2.611 13.707 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.954 -3.812 14.581 1.00 0.00 H new ATOM 0 HG LEU A 76 11.493 -2.455 15.960 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.383 -4.379 17.298 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.707 -4.649 16.763 1.00 0.00 H new ATOM 0 HD13 LEU A 76 12.051 -5.459 15.923 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.904 -2.990 16.030 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.709 -3.989 14.570 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.414 -2.236 14.494 1.00 0.00 H new ATOM 1156 N VAL A 77 9.829 -6.330 12.430 1.00 0.00 N ATOM 1157 CA VAL A 77 8.703 -6.872 11.693 1.00 0.00 C ATOM 1158 C VAL A 77 7.564 -6.852 12.696 1.00 0.00 C ATOM 1159 O VAL A 77 7.702 -7.398 13.796 1.00 0.00 O ATOM 1160 CB VAL A 77 8.997 -8.297 11.180 1.00 0.00 C ATOM 1161 CG1 VAL A 77 7.955 -8.712 10.129 1.00 0.00 C ATOM 1162 CG2 VAL A 77 10.398 -8.438 10.560 1.00 0.00 C ATOM 0 H VAL A 77 10.288 -7.011 13.035 1.00 0.00 H new ATOM 0 HA VAL A 77 8.471 -6.297 10.797 1.00 0.00 H new ATOM 0 HB VAL A 77 8.948 -8.948 12.053 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.175 -9.720 9.776 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.961 -8.693 10.575 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.989 -8.018 9.289 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.543 -9.463 10.219 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.492 -7.757 9.714 1.00 0.00 H new ATOM 0 HG23 VAL A 77 11.153 -8.194 11.308 1.00 0.00 H new ATOM 1172 N LEU A 78 6.453 -6.217 12.338 1.00 0.00 N ATOM 1173 CA LEU A 78 5.277 -6.097 13.175 1.00 0.00 C ATOM 1174 C LEU A 78 4.108 -6.691 12.407 1.00 0.00 C ATOM 1175 O LEU A 78 4.101 -6.697 11.172 1.00 0.00 O ATOM 1176 CB LEU A 78 4.998 -4.630 13.568 1.00 0.00 C ATOM 1177 CG LEU A 78 6.133 -3.971 14.384 1.00 0.00 C ATOM 1178 CD1 LEU A 78 7.088 -3.168 13.491 1.00 0.00 C ATOM 1179 CD2 LEU A 78 5.587 -3.055 15.484 1.00 0.00 C ATOM 0 H LEU A 78 6.349 -5.761 11.432 1.00 0.00 H new ATOM 0 HA LEU A 78 5.433 -6.635 14.110 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.830 -4.048 12.662 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.076 -4.589 14.148 1.00 0.00 H new ATOM 0 HG LEU A 78 6.685 -4.790 14.846 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.871 -2.722 14.104 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.539 -3.831 12.753 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.533 -2.381 12.981 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.417 -2.612 16.034 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.986 -2.264 15.034 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.968 -3.636 16.168 1.00 0.00 H new ATOM 1191 N LYS A 79 3.106 -7.171 13.135 1.00 0.00 N ATOM 1192 CA LYS A 79 1.874 -7.680 12.553 1.00 0.00 C ATOM 1193 C LYS A 79 0.742 -7.101 13.379 1.00 0.00 C ATOM 1194 O LYS A 79 0.689 -7.325 14.588 1.00 0.00 O ATOM 1195 CB LYS A 79 1.880 -9.225 12.535 1.00 0.00 C ATOM 1196 CG LYS A 79 1.297 -9.824 11.245 1.00 0.00 C ATOM 1197 CD LYS A 79 -0.206 -9.564 11.046 1.00 0.00 C ATOM 1198 CE LYS A 79 -0.745 -10.121 9.716 1.00 0.00 C ATOM 1199 NZ LYS A 79 -0.721 -11.601 9.653 1.00 0.00 N ATOM 0 H LYS A 79 3.128 -7.217 14.154 1.00 0.00 H new ATOM 0 HA LYS A 79 1.758 -7.381 11.511 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.904 -9.578 12.660 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.309 -9.593 13.388 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.840 -9.417 10.392 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.470 -10.900 11.248 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.759 -10.013 11.871 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.391 -8.491 11.085 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.768 -9.774 9.572 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.153 -9.719 8.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.127 -11.917 8.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.261 -11.936 9.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.280 -11.991 10.438 1.00 0.00 H new ATOM 1213 N ASP A 80 -0.139 -6.345 12.726 1.00 0.00 N ATOM 1214 CA ASP A 80 -1.353 -5.774 13.315 1.00 0.00 C ATOM 1215 C ASP A 80 -1.074 -5.020 14.630 1.00 0.00 C ATOM 1216 O ASP A 80 -1.852 -5.072 15.584 1.00 0.00 O ATOM 1217 CB ASP A 80 -2.439 -6.859 13.427 1.00 0.00 C ATOM 1218 CG ASP A 80 -3.808 -6.292 13.848 1.00 0.00 C ATOM 1219 OD1 ASP A 80 -4.250 -5.270 13.279 1.00 0.00 O ATOM 1220 OD2 ASP A 80 -4.483 -6.908 14.705 1.00 0.00 O ATOM 0 H ASP A 80 -0.026 -6.104 11.741 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.740 -5.003 12.648 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.540 -7.366 12.467 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.123 -7.609 14.152 1.00 0.00 H new ATOM 1225 N GLY A 81 0.072 -4.331 14.690 1.00 0.00 N ATOM 1226 CA GLY A 81 0.392 -3.375 15.743 1.00 0.00 C ATOM 1227 C GLY A 81 1.423 -3.849 16.764 1.00 0.00 C ATOM 1228 O GLY A 81 1.800 -3.049 17.623 1.00 0.00 O ATOM 0 H GLY A 81 0.811 -4.428 13.994 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.758 -2.459 15.280 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.527 -3.120 16.271 1.00 0.00 H new ATOM 1232 N GLU A 82 1.902 -5.098 16.704 1.00 0.00 N ATOM 1233 CA GLU A 82 2.848 -5.636 17.678 1.00 0.00 C ATOM 1234 C GLU A 82 4.020 -6.303 16.962 1.00 0.00 C ATOM 1235 O GLU A 82 3.852 -6.838 15.866 1.00 0.00 O ATOM 1236 CB GLU A 82 2.103 -6.581 18.634 1.00 0.00 C ATOM 1237 CG GLU A 82 1.699 -7.942 18.044 1.00 0.00 C ATOM 1238 CD GLU A 82 0.938 -8.793 19.077 1.00 0.00 C ATOM 1239 OE1 GLU A 82 -0.310 -8.709 19.148 1.00 0.00 O ATOM 1240 OE2 GLU A 82 1.577 -9.569 19.824 1.00 0.00 O ATOM 0 H GLU A 82 1.641 -5.762 15.975 1.00 0.00 H new ATOM 0 HA GLU A 82 3.276 -4.835 18.280 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.733 -6.756 19.506 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.203 -6.077 18.986 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.074 -7.789 17.164 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.589 -8.477 17.714 1.00 0.00 H new ATOM 1247 N VAL A 83 5.214 -6.252 17.562 1.00 0.00 N ATOM 1248 CA VAL A 83 6.411 -6.871 17.007 1.00 0.00 C ATOM 1249 C VAL A 83 6.189 -8.378 16.947 1.00 0.00 C ATOM 1250 O VAL A 83 5.768 -9.002 17.925 1.00 0.00 O ATOM 1251 CB VAL A 83 7.666 -6.494 17.824 1.00 0.00 C ATOM 1252 CG1 VAL A 83 8.944 -7.096 17.218 1.00 0.00 C ATOM 1253 CG2 VAL A 83 7.856 -4.971 17.890 1.00 0.00 C ATOM 0 H VAL A 83 5.373 -5.777 18.450 1.00 0.00 H new ATOM 0 HA VAL A 83 6.590 -6.500 15.998 1.00 0.00 H new ATOM 0 HB VAL A 83 7.504 -6.898 18.823 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.804 -6.807 17.822 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.861 -8.183 17.200 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.074 -6.725 16.201 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.748 -4.741 18.472 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.969 -4.574 16.881 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.986 -4.516 18.364 1.00 0.00 H new ATOM 1263 N VAL A 84 6.521 -8.950 15.794 1.00 0.00 N ATOM 1264 CA VAL A 84 6.505 -10.374 15.544 1.00 0.00 C ATOM 1265 C VAL A 84 7.914 -10.881 15.175 1.00 0.00 C ATOM 1266 O VAL A 84 8.174 -12.066 15.382 1.00 0.00 O ATOM 1267 CB VAL A 84 5.389 -10.676 14.518 1.00 0.00 C ATOM 1268 CG1 VAL A 84 5.774 -10.292 13.080 1.00 0.00 C ATOM 1269 CG2 VAL A 84 4.929 -12.134 14.605 1.00 0.00 C ATOM 0 H VAL A 84 6.819 -8.408 14.983 1.00 0.00 H new ATOM 0 HA VAL A 84 6.256 -10.940 16.441 1.00 0.00 H new ATOM 0 HB VAL A 84 4.546 -10.040 14.787 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.950 -10.528 12.407 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.986 -9.224 13.033 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.660 -10.851 12.779 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.144 -12.312 13.870 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.772 -12.794 14.403 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.543 -12.335 15.604 1.00 0.00 H new ATOM 1279 N GLU A 85 8.852 -10.027 14.723 1.00 0.00 N ATOM 1280 CA GLU A 85 10.243 -10.446 14.484 1.00 0.00 C ATOM 1281 C GLU A 85 11.190 -9.238 14.504 1.00 0.00 C ATOM 1282 O GLU A 85 10.743 -8.093 14.442 1.00 0.00 O ATOM 1283 CB GLU A 85 10.368 -11.203 13.137 1.00 0.00 C ATOM 1284 CG GLU A 85 10.799 -12.676 13.265 1.00 0.00 C ATOM 1285 CD GLU A 85 12.256 -12.869 13.733 1.00 0.00 C ATOM 1286 OE1 GLU A 85 12.634 -12.343 14.802 1.00 0.00 O ATOM 1287 OE2 GLU A 85 13.019 -13.590 13.051 1.00 0.00 O ATOM 0 H GLU A 85 8.670 -9.045 14.517 1.00 0.00 H new ATOM 0 HA GLU A 85 10.530 -11.123 15.289 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.408 -11.163 12.623 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.089 -10.681 12.508 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.134 -13.178 13.968 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.671 -13.166 12.300 1.00 0.00 H new ATOM 1294 N THR A 86 12.499 -9.497 14.532 1.00 0.00 N ATOM 1295 CA THR A 86 13.561 -8.497 14.460 1.00 0.00 C ATOM 1296 C THR A 86 14.670 -9.028 13.533 1.00 0.00 C ATOM 1297 O THR A 86 14.875 -10.240 13.427 1.00 0.00 O ATOM 1298 CB THR A 86 14.107 -8.221 15.879 1.00 0.00 C ATOM 1299 OG1 THR A 86 13.063 -8.026 16.819 1.00 0.00 O ATOM 1300 CG2 THR A 86 15.013 -6.985 15.945 1.00 0.00 C ATOM 0 H THR A 86 12.860 -10.448 14.609 1.00 0.00 H new ATOM 0 HA THR A 86 13.179 -7.559 14.057 1.00 0.00 H new ATOM 0 HB THR A 86 14.687 -9.110 16.126 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.447 -7.856 17.704 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.364 -6.845 16.967 1.00 0.00 H new ATOM 0 HG22 THR A 86 15.868 -7.125 15.284 1.00 0.00 H new ATOM 0 HG23 THR A 86 14.452 -6.105 15.631 1.00 0.00 H new ATOM 1308 N SER A 87 15.395 -8.129 12.868 1.00 0.00 N ATOM 1309 CA SER A 87 16.611 -8.406 12.110 1.00 0.00 C ATOM 1310 C SER A 87 17.543 -7.196 12.220 1.00 0.00 C ATOM 1311 O SER A 87 17.088 -6.081 12.477 1.00 0.00 O ATOM 1312 CB SER A 87 16.251 -8.699 10.647 1.00 0.00 C ATOM 1313 OG SER A 87 15.966 -10.075 10.474 1.00 0.00 O ATOM 0 H SER A 87 15.137 -7.142 12.843 1.00 0.00 H new ATOM 0 HA SER A 87 17.121 -9.282 12.512 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.388 -8.103 10.352 1.00 0.00 H new ATOM 0 HB3 SER A 87 17.077 -8.408 9.998 1.00 0.00 H new ATOM 0 HG SER A 87 15.568 -10.432 11.295 1.00 0.00 H new ATOM 1319 N VAL A 88 18.845 -7.397 12.016 1.00 0.00 N ATOM 1320 CA VAL A 88 19.854 -6.340 12.020 1.00 0.00 C ATOM 1321 C VAL A 88 20.741 -6.563 10.790 1.00 0.00 C ATOM 1322 O VAL A 88 20.971 -7.711 10.393 1.00 0.00 O ATOM 1323 CB VAL A 88 20.647 -6.372 13.349 1.00 0.00 C ATOM 1324 CG1 VAL A 88 21.637 -5.202 13.457 1.00 0.00 C ATOM 1325 CG2 VAL A 88 19.730 -6.334 14.585 1.00 0.00 C ATOM 0 H VAL A 88 19.236 -8.322 11.839 1.00 0.00 H new ATOM 0 HA VAL A 88 19.407 -5.348 11.960 1.00 0.00 H new ATOM 0 HB VAL A 88 21.190 -7.317 13.332 1.00 0.00 H new ATOM 0 HG11 VAL A 88 22.172 -5.264 14.405 1.00 0.00 H new ATOM 0 HG12 VAL A 88 22.350 -5.252 12.634 1.00 0.00 H new ATOM 0 HG13 VAL A 88 21.092 -4.259 13.409 1.00 0.00 H new ATOM 0 HG21 VAL A 88 20.338 -6.359 15.490 1.00 0.00 H new ATOM 0 HG22 VAL A 88 19.138 -5.419 14.571 1.00 0.00 H new ATOM 0 HG23 VAL A 88 19.065 -7.197 14.571 1.00 0.00 H new ATOM 1335 N GLY A 89 21.247 -5.480 10.198 1.00 0.00 N ATOM 1336 CA GLY A 89 22.153 -5.540 9.061 1.00 0.00 C ATOM 1337 C GLY A 89 21.421 -5.813 7.746 1.00 0.00 C ATOM 1338 O GLY A 89 20.189 -5.868 7.690 1.00 0.00 O ATOM 0 H GLY A 89 21.034 -4.530 10.501 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.696 -4.598 8.983 1.00 0.00 H new ATOM 0 HA3 GLY A 89 22.893 -6.322 9.231 1.00 0.00 H new ATOM 1342 N PHE A 90 22.200 -5.944 6.671 1.00 0.00 N ATOM 1343 CA PHE A 90 21.695 -6.193 5.325 1.00 0.00 C ATOM 1344 C PHE A 90 21.031 -7.575 5.236 1.00 0.00 C ATOM 1345 O PHE A 90 21.515 -8.539 5.835 1.00 0.00 O ATOM 1346 CB PHE A 90 22.866 -6.089 4.332 1.00 0.00 C ATOM 1347 CG PHE A 90 22.478 -6.273 2.875 1.00 0.00 C ATOM 1348 CD1 PHE A 90 22.452 -7.561 2.304 1.00 0.00 C ATOM 1349 CD2 PHE A 90 22.143 -5.155 2.089 1.00 0.00 C ATOM 1350 CE1 PHE A 90 22.075 -7.730 0.960 1.00 0.00 C ATOM 1351 CE2 PHE A 90 21.779 -5.324 0.741 1.00 0.00 C ATOM 1352 CZ PHE A 90 21.739 -6.612 0.178 1.00 0.00 C ATOM 0 H PHE A 90 23.217 -5.878 6.715 1.00 0.00 H new ATOM 0 HA PHE A 90 20.937 -5.450 5.079 1.00 0.00 H new ATOM 0 HB2 PHE A 90 23.338 -5.113 4.448 1.00 0.00 H new ATOM 0 HB3 PHE A 90 23.614 -6.838 4.593 1.00 0.00 H new ATOM 0 HD1 PHE A 90 22.722 -8.420 2.900 1.00 0.00 H new ATOM 0 HD2 PHE A 90 22.165 -4.166 2.521 1.00 0.00 H new ATOM 0 HE1 PHE A 90 22.044 -8.720 0.529 1.00 0.00 H new ATOM 0 HE2 PHE A 90 21.530 -4.464 0.138 1.00 0.00 H new ATOM 0 HZ PHE A 90 21.450 -6.742 -0.855 1.00 0.00 H new ATOM 1362 N LYS A 91 19.969 -7.686 4.432 1.00 0.00 N ATOM 1363 CA LYS A 91 19.354 -8.946 4.011 1.00 0.00 C ATOM 1364 C LYS A 91 18.937 -8.759 2.546 1.00 0.00 C ATOM 1365 O LYS A 91 18.457 -7.674 2.209 1.00 0.00 O ATOM 1366 CB LYS A 91 18.115 -9.317 4.856 1.00 0.00 C ATOM 1367 CG LYS A 91 18.428 -10.127 6.127 1.00 0.00 C ATOM 1368 CD LYS A 91 18.560 -9.271 7.396 1.00 0.00 C ATOM 1369 CE LYS A 91 19.123 -10.083 8.575 1.00 0.00 C ATOM 1370 NZ LYS A 91 18.215 -11.166 9.040 1.00 0.00 N ATOM 0 H LYS A 91 19.497 -6.870 4.043 1.00 0.00 H new ATOM 0 HA LYS A 91 20.069 -9.758 4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 91 17.599 -8.401 5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.426 -9.890 4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 91 17.640 -10.865 6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 91 19.356 -10.679 5.975 1.00 0.00 H new ATOM 0 HD2 LYS A 91 19.212 -8.421 7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 91 17.584 -8.867 7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 91 20.077 -10.521 8.281 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.325 -9.408 9.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 18.724 -11.786 9.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 17.393 -10.747 9.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 17.892 -11.723 8.223 1.00 0.00 H new ATOM 1384 N PRO A 92 19.100 -9.776 1.681 1.00 0.00 N ATOM 1385 CA PRO A 92 18.648 -9.712 0.297 1.00 0.00 C ATOM 1386 C PRO A 92 17.118 -9.790 0.220 1.00 0.00 C ATOM 1387 O PRO A 92 16.454 -10.257 1.148 1.00 0.00 O ATOM 1388 CB PRO A 92 19.321 -10.899 -0.401 1.00 0.00 C ATOM 1389 CG PRO A 92 19.485 -11.924 0.720 1.00 0.00 C ATOM 1390 CD PRO A 92 19.749 -11.053 1.947 1.00 0.00 C ATOM 0 HA PRO A 92 18.917 -8.771 -0.184 1.00 0.00 H new ATOM 0 HB2 PRO A 92 18.707 -11.288 -1.214 1.00 0.00 H new ATOM 0 HB3 PRO A 92 20.282 -10.619 -0.833 1.00 0.00 H new ATOM 0 HG2 PRO A 92 18.590 -12.534 0.843 1.00 0.00 H new ATOM 0 HG3 PRO A 92 20.312 -12.607 0.525 1.00 0.00 H new ATOM 0 HD2 PRO A 92 19.345 -11.515 2.848 1.00 0.00 H new ATOM 0 HD3 PRO A 92 20.819 -10.921 2.109 1.00 0.00 H new ATOM 1398 N LYS A 93 16.554 -9.387 -0.923 1.00 0.00 N ATOM 1399 CA LYS A 93 15.105 -9.352 -1.152 1.00 0.00 C ATOM 1400 C LYS A 93 14.432 -10.709 -0.994 1.00 0.00 C ATOM 1401 O LYS A 93 13.269 -10.758 -0.603 1.00 0.00 O ATOM 1402 CB LYS A 93 14.791 -8.723 -2.520 1.00 0.00 C ATOM 1403 CG LYS A 93 15.367 -9.473 -3.735 1.00 0.00 C ATOM 1404 CD LYS A 93 15.555 -8.514 -4.916 1.00 0.00 C ATOM 1405 CE LYS A 93 15.996 -9.292 -6.162 1.00 0.00 C ATOM 1406 NZ LYS A 93 16.498 -8.396 -7.231 1.00 0.00 N ATOM 0 H LYS A 93 17.098 -9.072 -1.726 1.00 0.00 H new ATOM 0 HA LYS A 93 14.681 -8.723 -0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.709 -8.659 -2.633 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.173 -7.702 -2.529 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.322 -9.926 -3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.697 -10.284 -4.020 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.623 -7.987 -5.118 1.00 0.00 H new ATOM 0 HD3 LYS A 93 16.301 -7.759 -4.666 1.00 0.00 H new ATOM 0 HE2 LYS A 93 16.777 -10.002 -5.888 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.156 -9.873 -6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 16.219 -8.773 -8.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.092 -7.446 -7.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.535 -8.339 -7.178 1.00 0.00 H new ATOM 1420 N GLU A 94 15.131 -11.800 -1.298 1.00 0.00 N ATOM 1421 CA GLU A 94 14.610 -13.149 -1.106 1.00 0.00 C ATOM 1422 C GLU A 94 14.444 -13.438 0.390 1.00 0.00 C ATOM 1423 O GLU A 94 13.369 -13.848 0.826 1.00 0.00 O ATOM 1424 CB GLU A 94 15.543 -14.158 -1.793 1.00 0.00 C ATOM 1425 CG GLU A 94 14.996 -15.591 -1.727 1.00 0.00 C ATOM 1426 CD GLU A 94 15.893 -16.575 -2.500 1.00 0.00 C ATOM 1427 OE1 GLU A 94 16.860 -17.115 -1.916 1.00 0.00 O ATOM 1428 OE2 GLU A 94 15.632 -16.834 -3.698 1.00 0.00 O ATOM 0 H GLU A 94 16.075 -11.773 -1.684 1.00 0.00 H new ATOM 0 HA GLU A 94 13.625 -13.240 -1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.681 -13.871 -2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.524 -14.123 -1.320 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.922 -15.906 -0.686 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.987 -15.616 -2.140 1.00 0.00 H new ATOM 1435 N ALA A 95 15.481 -13.177 1.195 1.00 0.00 N ATOM 1436 CA ALA A 95 15.433 -13.398 2.636 1.00 0.00 C ATOM 1437 C ALA A 95 14.378 -12.499 3.281 1.00 0.00 C ATOM 1438 O ALA A 95 13.648 -12.935 4.169 1.00 0.00 O ATOM 1439 CB ALA A 95 16.810 -13.144 3.258 1.00 0.00 C ATOM 0 H ALA A 95 16.372 -12.808 0.862 1.00 0.00 H new ATOM 0 HA ALA A 95 15.156 -14.436 2.820 1.00 0.00 H new ATOM 0 HB1 ALA A 95 16.760 -13.312 4.334 1.00 0.00 H new ATOM 0 HB2 ALA A 95 17.539 -13.824 2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.112 -12.114 3.066 1.00 0.00 H new ATOM 1445 N LEU A 96 14.274 -11.254 2.813 1.00 0.00 N ATOM 1446 CA LEU A 96 13.269 -10.310 3.271 1.00 0.00 C ATOM 1447 C LEU A 96 11.864 -10.812 2.957 1.00 0.00 C ATOM 1448 O LEU A 96 11.003 -10.776 3.829 1.00 0.00 O ATOM 1449 CB LEU A 96 13.493 -8.941 2.625 1.00 0.00 C ATOM 1450 CG LEU A 96 14.705 -8.168 3.183 1.00 0.00 C ATOM 1451 CD1 LEU A 96 15.056 -7.007 2.251 1.00 0.00 C ATOM 1452 CD2 LEU A 96 14.438 -7.627 4.593 1.00 0.00 C ATOM 0 H LEU A 96 14.895 -10.875 2.098 1.00 0.00 H new ATOM 0 HA LEU A 96 13.365 -10.213 4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.626 -9.076 1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 96 12.597 -8.336 2.762 1.00 0.00 H new ATOM 0 HG LEU A 96 15.540 -8.866 3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 96 15.913 -6.465 2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 96 15.302 -7.395 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 96 14.204 -6.332 2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.317 -7.089 4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 96 13.584 -6.950 4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 96 14.223 -8.457 5.266 1.00 0.00 H new ATOM 1464 N GLN A 97 11.628 -11.314 1.744 1.00 0.00 N ATOM 1465 CA GLN A 97 10.338 -11.889 1.387 1.00 0.00 C ATOM 1466 C GLN A 97 10.002 -13.045 2.315 1.00 0.00 C ATOM 1467 O GLN A 97 8.867 -13.139 2.766 1.00 0.00 O ATOM 1468 CB GLN A 97 10.323 -12.381 -0.073 1.00 0.00 C ATOM 1469 CG GLN A 97 9.905 -11.289 -1.056 1.00 0.00 C ATOM 1470 CD GLN A 97 10.287 -11.638 -2.490 1.00 0.00 C ATOM 1471 OE1 GLN A 97 9.509 -12.216 -3.244 1.00 0.00 O ATOM 1472 NE2 GLN A 97 11.501 -11.293 -2.883 1.00 0.00 N ATOM 0 H GLN A 97 12.318 -11.332 0.993 1.00 0.00 H new ATOM 0 HA GLN A 97 9.588 -11.105 1.492 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.315 -12.745 -0.340 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.639 -13.225 -0.161 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.827 -11.138 -0.994 1.00 0.00 H new ATOM 0 HG3 GLN A 97 10.376 -10.347 -0.774 1.00 0.00 H new ATOM 0 HE21 GLN A 97 12.129 -10.813 -2.238 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.810 -11.506 -3.831 1.00 0.00 H new ATOM 1481 N GLU A 98 10.967 -13.904 2.634 1.00 0.00 N ATOM 1482 CA GLU A 98 10.724 -15.051 3.502 1.00 0.00 C ATOM 1483 C GLU A 98 10.398 -14.595 4.929 1.00 0.00 C ATOM 1484 O GLU A 98 9.505 -15.148 5.574 1.00 0.00 O ATOM 1485 CB GLU A 98 11.928 -16.009 3.484 1.00 0.00 C ATOM 1486 CG GLU A 98 12.052 -16.801 2.172 1.00 0.00 C ATOM 1487 CD GLU A 98 10.938 -17.853 2.015 1.00 0.00 C ATOM 1488 OE1 GLU A 98 11.090 -18.985 2.527 1.00 0.00 O ATOM 1489 OE2 GLU A 98 9.909 -17.568 1.362 1.00 0.00 O ATOM 0 H GLU A 98 11.928 -13.826 2.302 1.00 0.00 H new ATOM 0 HA GLU A 98 9.858 -15.593 3.121 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.842 -15.437 3.643 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.841 -16.708 4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.018 -16.111 1.329 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.023 -17.296 2.140 1.00 0.00 H new ATOM 1496 N LEU A 99 11.078 -13.552 5.407 1.00 0.00 N ATOM 1497 CA LEU A 99 10.851 -12.937 6.699 1.00 0.00 C ATOM 1498 C LEU A 99 9.449 -12.323 6.775 1.00 0.00 C ATOM 1499 O LEU A 99 8.799 -12.438 7.807 1.00 0.00 O ATOM 1500 CB LEU A 99 11.968 -11.905 6.907 1.00 0.00 C ATOM 1501 CG LEU A 99 11.846 -11.092 8.197 1.00 0.00 C ATOM 1502 CD1 LEU A 99 11.906 -11.987 9.439 1.00 0.00 C ATOM 1503 CD2 LEU A 99 12.979 -10.060 8.236 1.00 0.00 C ATOM 0 H LEU A 99 11.827 -13.102 4.880 1.00 0.00 H new ATOM 0 HA LEU A 99 10.886 -13.674 7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 99 12.928 -12.422 6.907 1.00 0.00 H new ATOM 0 HB3 LEU A 99 11.975 -11.220 6.059 1.00 0.00 H new ATOM 0 HG LEU A 99 10.877 -10.592 8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.816 -11.373 10.335 1.00 0.00 H new ATOM 0 HD12 LEU A 99 11.088 -12.707 9.409 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.857 -12.519 9.458 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.905 -9.472 9.151 1.00 0.00 H new ATOM 0 HD22 LEU A 99 13.940 -10.574 8.212 1.00 0.00 H new ATOM 0 HD23 LEU A 99 12.899 -9.399 7.373 1.00 0.00 H new ATOM 1515 N VAL A 100 8.949 -11.713 5.699 1.00 0.00 N ATOM 1516 CA VAL A 100 7.569 -11.245 5.620 1.00 0.00 C ATOM 1517 C VAL A 100 6.613 -12.448 5.581 1.00 0.00 C ATOM 1518 O VAL A 100 5.618 -12.489 6.307 1.00 0.00 O ATOM 1519 CB VAL A 100 7.411 -10.358 4.363 1.00 0.00 C ATOM 1520 CG1 VAL A 100 5.963 -9.895 4.142 1.00 0.00 C ATOM 1521 CG2 VAL A 100 8.316 -9.114 4.391 1.00 0.00 C ATOM 0 H VAL A 100 9.494 -11.530 4.856 1.00 0.00 H new ATOM 0 HA VAL A 100 7.321 -10.651 6.499 1.00 0.00 H new ATOM 0 HB VAL A 100 7.714 -11.002 3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.912 -9.276 3.246 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.318 -10.765 4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.631 -9.315 5.003 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.161 -8.531 3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.070 -8.504 5.260 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.359 -9.424 4.449 1.00 0.00 H new ATOM 1531 N ASN A 101 6.930 -13.438 4.743 1.00 0.00 N ATOM 1532 CA ASN A 101 6.055 -14.546 4.372 1.00 0.00 C ATOM 1533 C ASN A 101 5.579 -15.321 5.589 1.00 0.00 C ATOM 1534 O ASN A 101 4.399 -15.652 5.692 1.00 0.00 O ATOM 1535 CB ASN A 101 6.777 -15.492 3.399 1.00 0.00 C ATOM 1536 CG ASN A 101 5.851 -16.588 2.890 1.00 0.00 C ATOM 1537 OD1 ASN A 101 5.645 -17.607 3.541 1.00 0.00 O ATOM 1538 ND2 ASN A 101 5.283 -16.399 1.711 1.00 0.00 N ATOM 0 H ASN A 101 7.841 -13.489 4.287 1.00 0.00 H new ATOM 0 HA ASN A 101 5.179 -14.121 3.882 1.00 0.00 H new ATOM 0 HB2 ASN A 101 7.163 -14.921 2.555 1.00 0.00 H new ATOM 0 HB3 ASN A 101 7.635 -15.943 3.898 1.00 0.00 H new ATOM 0 HD21 ASN A 101 4.659 -17.108 1.326 1.00 0.00 H new ATOM 0 HD22 ASN A 101 5.468 -15.544 1.187 1.00 0.00 H new ATOM 1545 N LYS A 102 6.488 -15.563 6.538 1.00 0.00 N ATOM 1546 CA LYS A 102 6.201 -16.372 7.720 1.00 0.00 C ATOM 1547 C LYS A 102 5.211 -15.712 8.692 1.00 0.00 C ATOM 1548 O LYS A 102 4.799 -16.365 9.652 1.00 0.00 O ATOM 1549 CB LYS A 102 7.515 -16.795 8.398 1.00 0.00 C ATOM 1550 CG LYS A 102 8.339 -15.612 8.925 1.00 0.00 C ATOM 1551 CD LYS A 102 9.630 -16.019 9.647 1.00 0.00 C ATOM 1552 CE LYS A 102 10.632 -16.680 8.687 1.00 0.00 C ATOM 1553 NZ LYS A 102 11.906 -17.035 9.363 1.00 0.00 N ATOM 0 H LYS A 102 7.442 -15.203 6.506 1.00 0.00 H new ATOM 0 HA LYS A 102 5.685 -17.271 7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.288 -17.467 9.226 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.117 -17.359 7.686 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.593 -14.959 8.090 1.00 0.00 H new ATOM 0 HG3 LYS A 102 7.722 -15.029 9.609 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.086 -15.139 10.101 1.00 0.00 H new ATOM 0 HD3 LYS A 102 9.392 -16.709 10.457 1.00 0.00 H new ATOM 0 HE2 LYS A 102 10.186 -17.579 8.261 1.00 0.00 H new ATOM 0 HE3 LYS A 102 10.839 -16.003 7.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.551 -17.478 8.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.346 -16.175 9.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.714 -17.701 10.138 1.00 0.00 H new ATOM 1567 N HIS A 103 4.805 -14.461 8.447 1.00 0.00 N ATOM 1568 CA HIS A 103 3.845 -13.729 9.273 1.00 0.00 C ATOM 1569 C HIS A 103 2.638 -13.227 8.476 1.00 0.00 C ATOM 1570 O HIS A 103 1.794 -12.543 9.056 1.00 0.00 O ATOM 1571 CB HIS A 103 4.540 -12.551 9.965 1.00 0.00 C ATOM 1572 CG HIS A 103 5.770 -12.943 10.740 1.00 0.00 C ATOM 1573 ND1 HIS A 103 5.833 -13.778 11.834 1.00 0.00 N ATOM 1574 CD2 HIS A 103 7.047 -12.553 10.456 1.00 0.00 C ATOM 1575 CE1 HIS A 103 7.120 -13.862 12.214 1.00 0.00 C ATOM 1576 NE2 HIS A 103 7.902 -13.128 11.403 1.00 0.00 N ATOM 0 H HIS A 103 5.143 -13.920 7.651 1.00 0.00 H new ATOM 0 HA HIS A 103 3.467 -14.429 10.018 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.816 -11.811 9.214 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.833 -12.070 10.641 1.00 0.00 H new ATOM 0 HD1 HIS A 103 5.044 -14.249 12.277 1.00 0.00 H new ATOM 0 HD2 HIS A 103 7.346 -11.911 9.641 1.00 0.00 H new ATOM 0 HE1 HIS A 103 7.476 -14.439 13.054 1.00 0.00 H new ATOM 1584 N LEU A 104 2.540 -13.529 7.175 1.00 0.00 N ATOM 1585 CA LEU A 104 1.376 -13.200 6.356 1.00 0.00 C ATOM 1586 C LEU A 104 0.118 -13.765 7.007 1.00 0.00 C ATOM 1587 O LEU A 104 -0.823 -12.980 7.249 1.00 0.00 O ATOM 1588 CB LEU A 104 1.539 -13.743 4.927 1.00 0.00 C ATOM 1589 CG LEU A 104 2.502 -12.943 4.033 1.00 0.00 C ATOM 1590 CD1 LEU A 104 2.727 -13.704 2.722 1.00 0.00 C ATOM 1591 CD2 LEU A 104 1.973 -11.543 3.702 1.00 0.00 C ATOM 1592 OXT LEU A 104 0.073 -14.985 7.271 1.00 0.00 O ATOM 0 H LEU A 104 3.276 -14.013 6.661 1.00 0.00 H new ATOM 0 HA LEU A 104 1.287 -12.116 6.290 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.891 -14.773 4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.559 -13.767 4.450 1.00 0.00 H new ATOM 0 HG LEU A 104 3.433 -12.826 4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.409 -13.140 2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.158 -14.682 2.938 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.774 -13.833 2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.692 -11.023 3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.022 -11.628 3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.829 -10.981 4.625 1.00 0.00 H new