USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 967 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 51 MET CE :methyl 164:sc= -0.154 (180deg=-0.587) USER MOD Set 1.2: A 71 MET CE :methyl -177:sc=-0.000985 (180deg=-0.0207) USER MOD Set 2.1: A 26 THR OG1 : rot -76:sc= 1.69 USER MOD Set 2.2: A 60 ASN : amide:sc= 0.0105 K(o=1.9,f=-1.6!) USER MOD Set 2.3: A 62 THR OG1 : rot 168:sc= 0.234 USER MOD Set 3.1: A 5 THR OG1 : rot 180:sc= -0.0036 USER MOD Set 3.2: A 8 GLN : amide:sc= 0 X(o=-0.0036,f=0.16) USER MOD Single : A 13 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00977) USER MOD Single : A 17 SER OG : rot 78:sc= 0.618 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -81:sc= 0.829 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0589 USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= 1.2 (180deg=1.08) USER MOD Single : A 34 THR OG1 : rot 73:sc= 0.63 USER MOD Single : A 36 MET CE :methyl -115:sc= 0 (180deg=-0.0156) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0346 X(o=-0.035,f=-0.035) USER MOD Single : A 42 ASN : amide:sc= 0.109 X(o=0.11,f=0) USER MOD Single : A 44 THR OG1 : rot -53:sc= -0.0856 USER MOD Single : A 49 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.00051) USER MOD Single : A 53 ASN : amide:sc= -0.0438 K(o=-0.044,f=-1.6!) USER MOD Single : A 70 THR OG1 : rot 71:sc= 0.933 USER MOD Single : A 72 MET CE :methyl -144:sc= -0.181 (180deg=-2.44!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc=-0.00957 K(o=-0.0096,f=-2.3) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc=-0.00299 X(o=-0.003,f=0) USER MOD Single : A 109 MET CE :methyl 159:sc= -0.507 (180deg=-0.583) USER MOD Single : A 110 THR OG1 : rot 11:sc= 0.507 USER MOD Single : A 111 ASN : amide:sc=-0.00699 X(o=-0.007,f=-0.13) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -63:sc= 1.17 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.588 K(o=-0.59,f=0) USER MOD Single : A 137 ASN : amide:sc= 0.55 K(o=0.55,f=-7.3!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.27) USER MOD Single : A 144 MET CE :methyl 158:sc= 0 (180deg=-0.114) USER MOD Single : A 145 MET CE :methyl 159:sc=-0.00472 (180deg=-0.38) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -13.472 17.856 -0.734 1.00 0.00 N ATOM 59 CA THR A 5 -14.196 18.768 -1.564 1.00 0.00 C ATOM 60 C THR A 5 -15.493 18.157 -1.972 1.00 0.00 C ATOM 61 O THR A 5 -15.661 16.941 -1.897 1.00 0.00 O ATOM 62 CB THR A 5 -13.469 19.290 -2.768 1.00 0.00 C ATOM 63 OG1 THR A 5 -12.912 18.226 -3.525 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.368 20.275 -2.338 1.00 0.00 C ATOM 0 HA THR A 5 -14.348 19.649 -0.940 1.00 0.00 H new ATOM 0 HB THR A 5 -14.186 19.816 -3.399 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.444 18.590 -4.306 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.848 20.647 -3.221 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.817 21.111 -1.802 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.658 19.766 -1.686 1.00 0.00 H new ATOM 72 N GLU A 6 -16.438 18.948 -2.511 1.00 0.00 N ATOM 73 CA GLU A 6 -17.529 18.378 -3.239 1.00 0.00 C ATOM 74 C GLU A 6 -17.065 17.518 -4.364 1.00 0.00 C ATOM 75 O GLU A 6 -17.662 16.489 -4.674 1.00 0.00 O ATOM 76 CB GLU A 6 -18.261 19.623 -3.768 1.00 0.00 C ATOM 77 CG GLU A 6 -19.213 20.105 -2.672 1.00 0.00 C ATOM 78 CD GLU A 6 -20.200 21.204 -3.041 1.00 0.00 C ATOM 79 OE1 GLU A 6 -19.909 21.841 -4.088 1.00 0.00 O ATOM 80 OE2 GLU A 6 -21.219 21.333 -2.312 1.00 0.00 O ATOM 0 H GLU A 6 -16.448 19.966 -2.445 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.150 17.724 -2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.547 20.405 -4.026 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.814 19.384 -4.677 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.782 19.246 -2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.612 20.458 -1.834 1.00 0.00 H new ATOM 87 N GLU A 7 -15.920 17.741 -5.035 1.00 0.00 N ATOM 88 CA GLU A 7 -15.362 16.856 -6.009 1.00 0.00 C ATOM 89 C GLU A 7 -14.914 15.518 -5.530 1.00 0.00 C ATOM 90 O GLU A 7 -15.166 14.504 -6.179 1.00 0.00 O ATOM 91 CB GLU A 7 -14.220 17.589 -6.733 1.00 0.00 C ATOM 92 CG GLU A 7 -13.736 16.962 -8.042 1.00 0.00 C ATOM 93 CD GLU A 7 -13.177 17.984 -9.021 1.00 0.00 C ATOM 94 OE1 GLU A 7 -12.163 18.663 -8.708 1.00 0.00 O ATOM 95 OE2 GLU A 7 -13.960 18.246 -9.973 1.00 0.00 O ATOM 0 H GLU A 7 -15.357 18.579 -4.891 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.184 16.607 -6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.545 18.608 -6.941 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.372 17.658 -6.052 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.968 16.221 -7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.564 16.432 -8.512 1.00 0.00 H new ATOM 102 N GLN A 8 -14.278 15.463 -4.346 1.00 0.00 N ATOM 103 CA GLN A 8 -13.985 14.238 -3.668 1.00 0.00 C ATOM 104 C GLN A 8 -15.185 13.626 -3.031 1.00 0.00 C ATOM 105 O GLN A 8 -15.350 12.409 -3.109 1.00 0.00 O ATOM 106 CB GLN A 8 -12.929 14.374 -2.559 1.00 0.00 C ATOM 107 CG GLN A 8 -11.679 15.066 -3.107 1.00 0.00 C ATOM 108 CD GLN A 8 -10.796 15.399 -1.914 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.751 16.549 -1.480 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.876 14.450 -1.591 1.00 0.00 N ATOM 0 H GLN A 8 -13.959 16.293 -3.846 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.602 13.605 -4.468 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.336 14.947 -1.726 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.669 13.389 -2.171 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.153 14.416 -3.806 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.947 15.971 -3.653 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.957 13.509 -1.977 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.106 14.679 -0.963 1.00 0.00 H new ATOM 119 N ILE A 9 -16.107 14.343 -2.365 1.00 0.00 N ATOM 120 CA ILE A 9 -17.337 13.737 -1.959 1.00 0.00 C ATOM 121 C ILE A 9 -18.118 13.173 -3.096 1.00 0.00 C ATOM 122 O ILE A 9 -18.660 12.084 -2.919 1.00 0.00 O ATOM 123 CB ILE A 9 -18.084 14.553 -0.946 1.00 0.00 C ATOM 124 CG1 ILE A 9 -18.377 13.757 0.337 1.00 0.00 C ATOM 125 CG2 ILE A 9 -19.416 15.210 -1.346 1.00 0.00 C ATOM 126 CD1 ILE A 9 -17.099 13.372 1.081 1.00 0.00 C ATOM 0 H ILE A 9 -16.005 15.326 -2.111 1.00 0.00 H new ATOM 0 HA ILE A 9 -17.090 12.839 -1.393 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.369 15.365 -0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -19.013 14.351 0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -18.934 12.855 0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -19.820 15.760 -0.496 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.248 15.896 -2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -20.125 14.440 -1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.356 12.812 1.980 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.474 12.755 0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -16.554 14.274 1.359 1.00 0.00 H new ATOM 138 N ALA A 10 -18.197 13.812 -4.278 1.00 0.00 N ATOM 139 CA ALA A 10 -18.854 13.366 -5.467 1.00 0.00 C ATOM 140 C ALA A 10 -18.314 12.074 -5.977 1.00 0.00 C ATOM 141 O ALA A 10 -19.093 11.130 -6.099 1.00 0.00 O ATOM 142 CB ALA A 10 -18.765 14.345 -6.650 1.00 0.00 C ATOM 0 H ALA A 10 -17.760 14.724 -4.410 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.889 13.270 -5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.290 13.927 -7.509 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.223 15.294 -6.372 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.719 14.509 -6.909 1.00 0.00 H new ATOM 148 N GLU A 11 -16.978 11.945 -6.064 1.00 0.00 N ATOM 149 CA GLU A 11 -16.290 10.751 -6.444 1.00 0.00 C ATOM 150 C GLU A 11 -16.500 9.602 -5.519 1.00 0.00 C ATOM 151 O GLU A 11 -16.872 8.524 -5.982 1.00 0.00 O ATOM 152 CB GLU A 11 -14.786 10.995 -6.651 1.00 0.00 C ATOM 153 CG GLU A 11 -14.506 11.849 -7.889 1.00 0.00 C ATOM 154 CD GLU A 11 -13.049 11.698 -8.301 1.00 0.00 C ATOM 155 OE1 GLU A 11 -12.172 11.747 -7.397 1.00 0.00 O ATOM 156 OE2 GLU A 11 -12.756 11.461 -9.503 1.00 0.00 O ATOM 0 H GLU A 11 -16.344 12.717 -5.858 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.740 10.469 -7.396 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.375 11.488 -5.770 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.274 10.038 -6.748 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.158 11.544 -8.707 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.727 12.895 -7.678 1.00 0.00 H new ATOM 163 N PHE A 12 -16.511 9.784 -4.187 1.00 0.00 N ATOM 164 CA PHE A 12 -16.812 8.712 -3.290 1.00 0.00 C ATOM 165 C PHE A 12 -18.258 8.354 -3.315 1.00 0.00 C ATOM 166 O PHE A 12 -18.550 7.163 -3.222 1.00 0.00 O ATOM 167 CB PHE A 12 -16.398 8.994 -1.836 1.00 0.00 C ATOM 168 CG PHE A 12 -14.966 8.899 -1.434 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.275 7.755 -1.759 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.285 10.029 -1.048 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.905 7.761 -1.634 1.00 0.00 C ATOM 172 CE2 PHE A 12 -12.948 9.941 -0.737 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.225 8.827 -1.094 1.00 0.00 C ATOM 0 H PHE A 12 -16.311 10.674 -3.731 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.218 7.874 -3.655 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.736 10.001 -1.593 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.958 8.308 -1.201 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.795 6.874 -2.104 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.796 10.979 -0.989 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.346 6.901 -1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.464 10.750 -0.210 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.155 8.791 -0.954 1.00 0.00 H new ATOM 183 N LYS A 13 -19.225 9.285 -3.408 1.00 0.00 N ATOM 184 CA LYS A 13 -20.637 9.060 -3.417 1.00 0.00 C ATOM 185 C LYS A 13 -21.112 8.294 -4.604 1.00 0.00 C ATOM 186 O LYS A 13 -21.796 7.283 -4.454 1.00 0.00 O ATOM 187 CB LYS A 13 -21.329 10.432 -3.347 1.00 0.00 C ATOM 188 CG LYS A 13 -22.839 10.298 -3.142 1.00 0.00 C ATOM 189 CD LYS A 13 -23.615 11.598 -3.361 1.00 0.00 C ATOM 190 CE LYS A 13 -25.039 11.517 -2.808 1.00 0.00 C ATOM 191 NZ LYS A 13 -25.841 10.481 -3.497 1.00 0.00 N ATOM 0 H LYS A 13 -18.998 10.277 -3.483 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.890 8.441 -2.556 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.902 11.013 -2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.135 10.984 -4.266 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.222 9.539 -3.824 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.027 9.941 -2.130 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -23.086 12.421 -2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.653 11.822 -4.427 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -25.002 11.297 -1.741 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -25.527 12.486 -2.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -26.818 10.504 -3.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -25.842 10.666 -4.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -25.428 9.544 -3.315 1.00 0.00 H new ATOM 205 N GLU A 14 -20.718 8.642 -5.842 1.00 0.00 N ATOM 206 CA GLU A 14 -21.013 7.981 -7.075 1.00 0.00 C ATOM 207 C GLU A 14 -20.329 6.658 -7.114 1.00 0.00 C ATOM 208 O GLU A 14 -20.920 5.693 -7.597 1.00 0.00 O ATOM 209 CB GLU A 14 -20.602 8.949 -8.198 1.00 0.00 C ATOM 210 CG GLU A 14 -21.392 10.260 -8.199 1.00 0.00 C ATOM 211 CD GLU A 14 -22.875 10.025 -8.449 1.00 0.00 C ATOM 212 OE1 GLU A 14 -23.113 9.329 -9.472 1.00 0.00 O ATOM 213 OE2 GLU A 14 -23.711 10.435 -7.600 1.00 0.00 O ATOM 0 H GLU A 14 -20.137 9.467 -5.991 1.00 0.00 H new ATOM 0 HA GLU A 14 -22.071 7.750 -7.196 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.540 9.175 -8.101 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.736 8.454 -9.160 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -21.260 10.765 -7.242 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.994 10.924 -8.967 1.00 0.00 H new ATOM 220 N ALA A 15 -19.071 6.530 -6.655 1.00 0.00 N ATOM 221 CA ALA A 15 -18.409 5.269 -6.525 1.00 0.00 C ATOM 222 C ALA A 15 -19.061 4.339 -5.560 1.00 0.00 C ATOM 223 O ALA A 15 -19.001 3.117 -5.682 1.00 0.00 O ATOM 224 CB ALA A 15 -16.958 5.522 -6.084 1.00 0.00 C ATOM 0 H ALA A 15 -18.499 7.324 -6.367 1.00 0.00 H new ATOM 0 HA ALA A 15 -18.459 4.782 -7.499 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.438 4.570 -5.980 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.452 6.132 -6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.954 6.044 -5.127 1.00 0.00 H new ATOM 230 N PHE A 16 -19.676 4.853 -4.480 1.00 0.00 N ATOM 231 CA PHE A 16 -20.544 4.125 -3.606 1.00 0.00 C ATOM 232 C PHE A 16 -21.733 3.551 -4.297 1.00 0.00 C ATOM 233 O PHE A 16 -21.959 2.342 -4.319 1.00 0.00 O ATOM 234 CB PHE A 16 -20.974 5.008 -2.423 1.00 0.00 C ATOM 235 CG PHE A 16 -21.440 4.159 -1.290 1.00 0.00 C ATOM 236 CD1 PHE A 16 -20.637 3.384 -0.487 1.00 0.00 C ATOM 237 CD2 PHE A 16 -22.785 3.929 -1.124 1.00 0.00 C ATOM 238 CE1 PHE A 16 -21.068 2.651 0.593 1.00 0.00 C ATOM 239 CE2 PHE A 16 -23.299 3.159 -0.107 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.429 2.521 0.745 1.00 0.00 C ATOM 0 H PHE A 16 -19.562 5.828 -4.202 1.00 0.00 H new ATOM 0 HA PHE A 16 -19.971 3.276 -3.235 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.139 5.630 -2.101 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.772 5.682 -2.734 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -19.584 3.348 -0.724 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -23.472 4.375 -1.827 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -20.374 2.200 1.287 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -24.367 3.057 0.020 1.00 0.00 H new ATOM 0 HZ PHE A 16 -22.819 1.909 1.545 1.00 0.00 H new ATOM 250 N SER A 17 -22.408 4.441 -5.046 1.00 0.00 N ATOM 251 CA SER A 17 -23.680 4.175 -5.643 1.00 0.00 C ATOM 252 C SER A 17 -23.622 3.245 -6.805 1.00 0.00 C ATOM 253 O SER A 17 -24.634 2.589 -7.047 1.00 0.00 O ATOM 254 CB SER A 17 -24.322 5.512 -6.049 1.00 0.00 C ATOM 255 OG SER A 17 -24.525 6.312 -4.894 1.00 0.00 O ATOM 0 H SER A 17 -22.056 5.378 -5.243 1.00 0.00 H new ATOM 0 HA SER A 17 -24.288 3.662 -4.897 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.680 6.035 -6.758 1.00 0.00 H new ATOM 0 HB3 SER A 17 -25.272 5.333 -6.552 1.00 0.00 H new ATOM 0 HG SER A 17 -23.674 6.713 -4.620 1.00 0.00 H new ATOM 261 N LEU A 18 -22.510 3.057 -7.538 1.00 0.00 N ATOM 262 CA LEU A 18 -22.359 1.976 -8.462 1.00 0.00 C ATOM 263 C LEU A 18 -21.969 0.706 -7.788 1.00 0.00 C ATOM 264 O LEU A 18 -22.269 -0.409 -8.210 1.00 0.00 O ATOM 265 CB LEU A 18 -21.378 2.219 -9.622 1.00 0.00 C ATOM 266 CG LEU A 18 -21.996 3.225 -10.607 1.00 0.00 C ATOM 267 CD1 LEU A 18 -20.847 3.933 -11.344 1.00 0.00 C ATOM 268 CD2 LEU A 18 -22.995 2.536 -11.552 1.00 0.00 C ATOM 0 H LEU A 18 -21.697 3.671 -7.487 1.00 0.00 H new ATOM 0 HA LEU A 18 -23.356 1.899 -8.895 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -20.432 2.601 -9.239 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -21.160 1.281 -10.132 1.00 0.00 H new ATOM 0 HG LEU A 18 -22.581 3.976 -10.077 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -21.258 4.654 -12.051 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -20.216 4.452 -10.622 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -20.251 3.196 -11.882 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -23.415 3.273 -12.237 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -22.482 1.762 -12.122 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -23.797 2.085 -10.968 1.00 0.00 H new ATOM 280 N PHE A 19 -21.304 0.808 -6.623 1.00 0.00 N ATOM 281 CA PHE A 19 -20.910 -0.368 -5.912 1.00 0.00 C ATOM 282 C PHE A 19 -22.088 -1.168 -5.473 1.00 0.00 C ATOM 283 O PHE A 19 -22.042 -2.384 -5.294 1.00 0.00 O ATOM 284 CB PHE A 19 -20.021 0.088 -4.742 1.00 0.00 C ATOM 285 CG PHE A 19 -18.729 -0.647 -4.637 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.693 -2.021 -4.649 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.541 -0.002 -4.385 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.521 -2.720 -4.478 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.374 -0.721 -4.264 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.304 -2.091 -4.359 1.00 0.00 C ATOM 0 H PHE A 19 -21.043 1.689 -6.180 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.345 -1.041 -6.557 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -19.813 1.152 -4.851 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.573 -0.035 -3.810 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.612 -2.568 -4.797 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -17.524 1.073 -4.282 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -17.558 -3.799 -4.436 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -15.459 -0.177 -4.084 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.368 -2.630 -4.342 1.00 0.00 H new ATOM 300 N ASP A 20 -23.071 -0.391 -4.984 1.00 0.00 N ATOM 301 CA ASP A 20 -24.270 -0.929 -4.421 1.00 0.00 C ATOM 302 C ASP A 20 -25.126 -1.396 -5.547 1.00 0.00 C ATOM 303 O ASP A 20 -25.418 -0.751 -6.553 1.00 0.00 O ATOM 304 CB ASP A 20 -24.945 0.089 -3.486 1.00 0.00 C ATOM 305 CG ASP A 20 -26.071 -0.582 -2.713 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.296 -1.822 -2.703 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.822 0.162 -2.027 1.00 0.00 O ATOM 0 H ASP A 20 -23.032 0.628 -4.980 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.063 -1.786 -3.780 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.212 0.501 -2.793 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.338 0.924 -4.067 1.00 0.00 H new ATOM 312 N LYS A 21 -25.613 -2.650 -5.514 1.00 0.00 N ATOM 313 CA LYS A 21 -26.310 -3.298 -6.581 1.00 0.00 C ATOM 314 C LYS A 21 -27.749 -2.926 -6.471 1.00 0.00 C ATOM 315 O LYS A 21 -28.251 -2.449 -7.487 1.00 0.00 O ATOM 316 CB LYS A 21 -26.063 -4.803 -6.777 1.00 0.00 C ATOM 317 CG LYS A 21 -26.621 -5.333 -8.099 1.00 0.00 C ATOM 318 CD LYS A 21 -26.348 -6.828 -8.278 1.00 0.00 C ATOM 319 CE LYS A 21 -26.886 -7.458 -9.565 1.00 0.00 C ATOM 320 NZ LYS A 21 -26.508 -8.886 -9.646 1.00 0.00 N ATOM 0 H LYS A 21 -25.513 -3.246 -4.692 1.00 0.00 H new ATOM 0 HA LYS A 21 -25.883 -2.927 -7.513 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.991 -4.998 -6.737 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.518 -5.351 -5.951 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -27.695 -5.154 -8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.176 -4.781 -8.927 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.270 -6.987 -8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -26.778 -7.360 -7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -27.971 -7.362 -9.597 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -26.493 -6.923 -10.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -26.882 -9.295 -10.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -25.472 -8.972 -9.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -26.904 -9.397 -8.831 1.00 0.00 H new ATOM 334 N ASP A 22 -28.470 -3.229 -5.377 1.00 0.00 N ATOM 335 CA ASP A 22 -29.899 -3.277 -5.344 1.00 0.00 C ATOM 336 C ASP A 22 -30.497 -1.927 -5.147 1.00 0.00 C ATOM 337 O ASP A 22 -31.558 -1.566 -5.654 1.00 0.00 O ATOM 338 CB ASP A 22 -30.458 -4.273 -4.315 1.00 0.00 C ATOM 339 CG ASP A 22 -29.887 -4.250 -2.904 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.883 -3.551 -2.602 1.00 0.00 O ATOM 341 OD2 ASP A 22 -30.468 -4.942 -2.026 1.00 0.00 O ATOM 0 H ASP A 22 -28.040 -3.450 -4.479 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.194 -3.645 -6.326 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -31.533 -4.107 -4.241 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.317 -5.277 -4.714 1.00 0.00 H new ATOM 346 N GLY A 23 -29.786 -1.107 -4.352 1.00 0.00 N ATOM 347 CA GLY A 23 -29.931 0.266 -3.978 1.00 0.00 C ATOM 348 C GLY A 23 -30.592 0.347 -2.645 1.00 0.00 C ATOM 349 O GLY A 23 -31.603 1.020 -2.449 1.00 0.00 O ATOM 0 H GLY A 23 -28.959 -1.488 -3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.955 0.750 -3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.523 0.797 -4.723 1.00 0.00 H new ATOM 353 N ASP A 24 -29.998 -0.159 -1.549 1.00 0.00 N ATOM 354 CA ASP A 24 -30.387 0.134 -0.205 1.00 0.00 C ATOM 355 C ASP A 24 -29.461 1.157 0.357 1.00 0.00 C ATOM 356 O ASP A 24 -29.919 1.956 1.171 1.00 0.00 O ATOM 357 CB ASP A 24 -30.312 -1.191 0.574 1.00 0.00 C ATOM 358 CG ASP A 24 -28.933 -1.634 1.040 1.00 0.00 C ATOM 359 OD1 ASP A 24 -27.973 -1.784 0.238 1.00 0.00 O ATOM 360 OD2 ASP A 24 -28.878 -1.953 2.258 1.00 0.00 O ATOM 0 H ASP A 24 -29.209 -0.803 -1.603 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.397 0.540 -0.144 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -30.956 -1.108 1.449 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -30.728 -1.979 -0.054 1.00 0.00 H new ATOM 365 N GLY A 25 -28.236 1.324 -0.172 1.00 0.00 N ATOM 366 CA GLY A 25 -27.265 2.183 0.432 1.00 0.00 C ATOM 367 C GLY A 25 -26.188 1.486 1.191 1.00 0.00 C ATOM 368 O GLY A 25 -25.514 2.175 1.956 1.00 0.00 O ATOM 0 H GLY A 25 -27.916 0.861 -1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.804 2.789 -0.348 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -27.778 2.868 1.107 1.00 0.00 H new ATOM 372 N THR A 26 -26.099 0.147 1.105 1.00 0.00 N ATOM 373 CA THR A 26 -25.067 -0.581 1.777 1.00 0.00 C ATOM 374 C THR A 26 -24.492 -1.664 0.931 1.00 0.00 C ATOM 375 O THR A 26 -25.093 -2.085 -0.056 1.00 0.00 O ATOM 376 CB THR A 26 -25.433 -1.127 3.125 1.00 0.00 C ATOM 377 OG1 THR A 26 -26.377 -2.187 3.153 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.158 -0.110 4.024 1.00 0.00 C ATOM 0 H THR A 26 -26.744 -0.434 0.568 1.00 0.00 H new ATOM 0 HA THR A 26 -24.309 0.181 1.959 1.00 0.00 H new ATOM 0 HB THR A 26 -24.441 -1.437 3.453 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.275 -1.830 2.991 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.392 -0.573 4.982 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.515 0.755 4.187 1.00 0.00 H new ATOM 0 HG23 THR A 26 -27.081 0.210 3.541 1.00 0.00 H new ATOM 386 N ILE A 27 -23.262 -2.141 1.195 1.00 0.00 N ATOM 387 CA ILE A 27 -22.603 -3.129 0.399 1.00 0.00 C ATOM 388 C ILE A 27 -22.424 -4.400 1.155 1.00 0.00 C ATOM 389 O ILE A 27 -21.840 -4.421 2.237 1.00 0.00 O ATOM 390 CB ILE A 27 -21.250 -2.729 -0.111 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.077 -1.230 -0.409 1.00 0.00 C ATOM 392 CG2 ILE A 27 -21.019 -3.499 -1.422 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.704 -0.801 -0.924 1.00 0.00 C ATOM 0 H ILE A 27 -22.707 -1.827 1.991 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.266 -3.252 -0.457 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.535 -2.961 0.679 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -21.826 -0.938 -1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.291 -0.672 0.503 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -20.043 -3.238 -1.830 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -21.055 -4.571 -1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.795 -3.235 -2.141 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -19.701 0.275 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -18.944 -1.051 -0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.487 -1.321 -1.857 1.00 0.00 H new ATOM 405 N THR A 28 -22.893 -5.471 0.491 1.00 0.00 N ATOM 406 CA THR A 28 -22.863 -6.838 0.909 1.00 0.00 C ATOM 407 C THR A 28 -21.627 -7.484 0.383 1.00 0.00 C ATOM 408 O THR A 28 -21.025 -7.074 -0.608 1.00 0.00 O ATOM 409 CB THR A 28 -24.022 -7.703 0.512 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.338 -7.654 -0.871 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.312 -7.381 1.285 1.00 0.00 C ATOM 0 H THR A 28 -23.334 -5.368 -0.423 1.00 0.00 H new ATOM 0 HA THR A 28 -22.905 -6.773 1.996 1.00 0.00 H new ATOM 0 HB THR A 28 -23.670 -8.703 0.764 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.877 -6.856 -1.055 1.00 0.00 H new ATOM 0 HG21 THR A 28 -26.111 -8.042 0.950 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.143 -7.527 2.352 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.597 -6.345 1.102 1.00 0.00 H new ATOM 419 N THR A 29 -21.193 -8.590 1.013 1.00 0.00 N ATOM 420 CA THR A 29 -20.010 -9.309 0.656 1.00 0.00 C ATOM 421 C THR A 29 -20.035 -9.806 -0.749 1.00 0.00 C ATOM 422 O THR A 29 -19.023 -9.905 -1.442 1.00 0.00 O ATOM 423 CB THR A 29 -19.762 -10.488 1.550 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.162 -10.136 2.866 1.00 0.00 O ATOM 425 CG2 THR A 29 -18.257 -10.805 1.563 1.00 0.00 C ATOM 0 H THR A 29 -21.688 -9.001 1.805 1.00 0.00 H new ATOM 0 HA THR A 29 -19.207 -8.580 0.771 1.00 0.00 H new ATOM 0 HB THR A 29 -20.319 -11.355 1.194 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.010 -10.894 3.468 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.071 -11.661 2.211 1.00 0.00 H new ATOM 0 HG22 THR A 29 -17.925 -11.037 0.551 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.706 -9.941 1.936 1.00 0.00 H new ATOM 433 N LYS A 30 -21.264 -10.086 -1.217 1.00 0.00 N ATOM 434 CA LYS A 30 -21.587 -10.508 -2.545 1.00 0.00 C ATOM 435 C LYS A 30 -21.318 -9.487 -3.597 1.00 0.00 C ATOM 436 O LYS A 30 -20.500 -9.683 -4.495 1.00 0.00 O ATOM 437 CB LYS A 30 -23.024 -11.030 -2.715 1.00 0.00 C ATOM 438 CG LYS A 30 -23.273 -12.419 -2.125 1.00 0.00 C ATOM 439 CD LYS A 30 -22.231 -13.461 -2.539 1.00 0.00 C ATOM 440 CE LYS A 30 -22.663 -14.874 -2.141 1.00 0.00 C ATOM 441 NZ LYS A 30 -21.567 -15.808 -2.478 1.00 0.00 N ATOM 0 H LYS A 30 -22.091 -10.012 -0.624 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.900 -11.342 -2.691 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.710 -10.323 -2.248 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.264 -11.053 -3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.287 -12.345 -1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -24.260 -12.763 -2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -22.078 -13.416 -3.617 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -21.275 -13.226 -2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -22.884 -14.917 -1.074 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -23.576 -15.154 -2.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -21.658 -16.671 -1.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -21.619 -16.054 -3.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -20.652 -15.356 -2.279 1.00 0.00 H new ATOM 455 N GLU A 31 -21.965 -8.323 -3.410 1.00 0.00 N ATOM 456 CA GLU A 31 -21.774 -7.124 -4.165 1.00 0.00 C ATOM 457 C GLU A 31 -20.353 -6.679 -4.200 1.00 0.00 C ATOM 458 O GLU A 31 -19.826 -6.292 -5.242 1.00 0.00 O ATOM 459 CB GLU A 31 -22.591 -5.979 -3.541 1.00 0.00 C ATOM 460 CG GLU A 31 -24.106 -6.138 -3.676 1.00 0.00 C ATOM 461 CD GLU A 31 -25.032 -5.278 -2.828 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.872 -5.210 -1.580 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.956 -4.589 -3.338 1.00 0.00 O ATOM 0 H GLU A 31 -22.670 -8.213 -2.681 1.00 0.00 H new ATOM 0 HA GLU A 31 -22.097 -7.352 -5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.339 -5.903 -2.483 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.293 -5.040 -4.008 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.361 -5.959 -4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.344 -7.180 -3.464 1.00 0.00 H new ATOM 470 N LEU A 32 -19.610 -6.796 -3.084 1.00 0.00 N ATOM 471 CA LEU A 32 -18.218 -6.479 -2.999 1.00 0.00 C ATOM 472 C LEU A 32 -17.375 -7.308 -3.906 1.00 0.00 C ATOM 473 O LEU A 32 -16.605 -6.748 -4.684 1.00 0.00 O ATOM 474 CB LEU A 32 -17.552 -6.465 -1.613 1.00 0.00 C ATOM 475 CG LEU A 32 -17.843 -5.324 -0.623 1.00 0.00 C ATOM 476 CD1 LEU A 32 -17.451 -5.823 0.778 1.00 0.00 C ATOM 477 CD2 LEU A 32 -17.140 -3.988 -0.916 1.00 0.00 C ATOM 0 H LEU A 32 -19.998 -7.127 -2.201 1.00 0.00 H new ATOM 0 HA LEU A 32 -18.253 -5.436 -3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.819 -7.398 -1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.474 -6.486 -1.773 1.00 0.00 H new ATOM 0 HG LEU A 32 -18.904 -5.092 -0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.643 -5.039 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -18.040 -6.706 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.391 -6.079 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -17.417 -3.257 -0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.060 -4.135 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -17.444 -3.624 -1.897 1.00 0.00 H new ATOM 489 N GLY A 33 -17.681 -8.613 -3.790 1.00 0.00 N ATOM 490 CA GLY A 33 -16.967 -9.675 -4.430 1.00 0.00 C ATOM 491 C GLY A 33 -17.094 -9.681 -5.914 1.00 0.00 C ATOM 492 O GLY A 33 -16.114 -9.957 -6.606 1.00 0.00 O ATOM 0 H GLY A 33 -18.463 -8.943 -3.224 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.912 -9.601 -4.166 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.327 -10.627 -4.041 1.00 0.00 H new ATOM 496 N THR A 34 -18.321 -9.407 -6.391 1.00 0.00 N ATOM 497 CA THR A 34 -18.596 -9.465 -7.793 1.00 0.00 C ATOM 498 C THR A 34 -17.793 -8.548 -8.650 1.00 0.00 C ATOM 499 O THR A 34 -17.353 -8.805 -9.770 1.00 0.00 O ATOM 500 CB THR A 34 -20.060 -9.261 -8.047 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.786 -10.267 -7.357 1.00 0.00 O ATOM 502 CG2 THR A 34 -20.442 -9.284 -9.537 1.00 0.00 C ATOM 0 H THR A 34 -19.118 -9.147 -5.810 1.00 0.00 H new ATOM 0 HA THR A 34 -18.286 -10.467 -8.091 1.00 0.00 H new ATOM 0 HB THR A 34 -20.311 -8.264 -7.684 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.772 -10.079 -6.395 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.516 -9.130 -9.640 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.910 -8.490 -10.061 1.00 0.00 H new ATOM 0 HG23 THR A 34 -20.171 -10.248 -9.967 1.00 0.00 H new ATOM 510 N VAL A 35 -17.577 -7.327 -8.129 1.00 0.00 N ATOM 511 CA VAL A 35 -16.794 -6.353 -8.825 1.00 0.00 C ATOM 512 C VAL A 35 -15.355 -6.737 -8.864 1.00 0.00 C ATOM 513 O VAL A 35 -14.661 -6.582 -9.867 1.00 0.00 O ATOM 514 CB VAL A 35 -16.933 -5.007 -8.178 1.00 0.00 C ATOM 515 CG1 VAL A 35 -16.047 -3.879 -8.734 1.00 0.00 C ATOM 516 CG2 VAL A 35 -18.398 -4.545 -8.120 1.00 0.00 C ATOM 0 H VAL A 35 -17.943 -7.015 -7.229 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.168 -6.306 -9.848 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.554 -5.189 -7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -16.241 -2.959 -8.183 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.998 -4.153 -8.624 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -16.273 -3.725 -9.789 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -18.452 -3.566 -7.644 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -18.799 -4.479 -9.131 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -18.983 -5.262 -7.543 1.00 0.00 H new ATOM 526 N MET A 36 -14.769 -7.315 -7.801 1.00 0.00 N ATOM 527 CA MET A 36 -13.411 -7.761 -7.742 1.00 0.00 C ATOM 528 C MET A 36 -13.217 -8.878 -8.709 1.00 0.00 C ATOM 529 O MET A 36 -12.200 -8.901 -9.401 1.00 0.00 O ATOM 530 CB MET A 36 -13.077 -8.303 -6.343 1.00 0.00 C ATOM 531 CG MET A 36 -13.235 -7.250 -5.244 1.00 0.00 C ATOM 532 SD MET A 36 -12.590 -5.580 -5.564 1.00 0.00 S ATOM 533 CE MET A 36 -13.203 -5.041 -3.941 1.00 0.00 C ATOM 0 H MET A 36 -15.274 -7.481 -6.930 1.00 0.00 H new ATOM 0 HA MET A 36 -12.766 -6.914 -7.978 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.726 -9.151 -6.123 1.00 0.00 H new ATOM 0 HB3 MET A 36 -12.053 -8.675 -6.338 1.00 0.00 H new ATOM 0 HG2 MET A 36 -14.297 -7.160 -5.018 1.00 0.00 H new ATOM 0 HG3 MET A 36 -12.749 -7.629 -4.345 1.00 0.00 H new ATOM 0 HE1 MET A 36 -13.985 -4.294 -4.077 1.00 0.00 H new ATOM 0 HE2 MET A 36 -13.609 -5.897 -3.403 1.00 0.00 H new ATOM 0 HE3 MET A 36 -12.383 -4.608 -3.368 1.00 0.00 H new ATOM 543 N ARG A 37 -14.207 -9.758 -8.943 1.00 0.00 N ATOM 544 CA ARG A 37 -14.161 -10.758 -9.964 1.00 0.00 C ATOM 545 C ARG A 37 -14.310 -10.163 -11.322 1.00 0.00 C ATOM 546 O ARG A 37 -13.491 -10.465 -12.188 1.00 0.00 O ATOM 547 CB ARG A 37 -15.200 -11.865 -9.715 1.00 0.00 C ATOM 548 CG ARG A 37 -15.061 -12.572 -8.365 1.00 0.00 C ATOM 549 CD ARG A 37 -13.700 -13.188 -8.033 1.00 0.00 C ATOM 550 NE ARG A 37 -13.183 -13.856 -9.261 1.00 0.00 N ATOM 551 CZ ARG A 37 -12.761 -15.154 -9.275 1.00 0.00 C ATOM 552 NH1 ARG A 37 -12.867 -15.977 -8.191 1.00 0.00 N ATOM 553 NH2 ARG A 37 -12.009 -15.636 -10.307 1.00 0.00 N ATOM 0 H ARG A 37 -15.071 -9.774 -8.401 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.175 -11.221 -9.921 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -16.198 -11.432 -9.783 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.120 -12.607 -10.510 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.307 -11.855 -7.582 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.810 -13.363 -8.320 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.005 -12.418 -7.697 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.796 -13.907 -7.220 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.143 -13.320 -10.128 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.276 -15.628 -7.324 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.538 -16.941 -8.248 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.755 -15.024 -11.082 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.701 -16.608 -10.303 1.00 0.00 H new ATOM 567 N SER A 38 -15.263 -9.248 -11.575 1.00 0.00 N ATOM 568 CA SER A 38 -15.389 -8.549 -12.816 1.00 0.00 C ATOM 569 C SER A 38 -14.212 -7.727 -13.215 1.00 0.00 C ATOM 570 O SER A 38 -13.893 -7.745 -14.403 1.00 0.00 O ATOM 571 CB SER A 38 -16.718 -7.782 -12.928 1.00 0.00 C ATOM 572 OG SER A 38 -17.100 -7.287 -14.203 1.00 0.00 O ATOM 0 H SER A 38 -15.972 -8.985 -10.890 1.00 0.00 H new ATOM 0 HA SER A 38 -15.409 -9.343 -13.562 1.00 0.00 H new ATOM 0 HB2 SER A 38 -17.513 -8.439 -12.574 1.00 0.00 H new ATOM 0 HB3 SER A 38 -16.674 -6.936 -12.242 1.00 0.00 H new ATOM 0 HG SER A 38 -17.961 -6.824 -14.130 1.00 0.00 H new ATOM 578 N LEU A 39 -13.480 -7.028 -12.329 1.00 0.00 N ATOM 579 CA LEU A 39 -12.249 -6.365 -12.627 1.00 0.00 C ATOM 580 C LEU A 39 -11.191 -7.348 -12.994 1.00 0.00 C ATOM 581 O LEU A 39 -10.513 -7.112 -13.993 1.00 0.00 O ATOM 582 CB LEU A 39 -11.784 -5.473 -11.463 1.00 0.00 C ATOM 583 CG LEU A 39 -12.683 -4.233 -11.323 1.00 0.00 C ATOM 584 CD1 LEU A 39 -12.602 -3.492 -9.978 1.00 0.00 C ATOM 585 CD2 LEU A 39 -12.328 -3.167 -12.372 1.00 0.00 C ATOM 0 H LEU A 39 -13.762 -6.920 -11.355 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.429 -5.717 -13.484 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.799 -6.044 -10.535 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.753 -5.162 -11.629 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.680 -4.657 -11.439 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.277 -2.636 -9.993 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.890 -4.168 -9.173 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.581 -3.146 -9.814 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.980 -2.303 -12.248 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.290 -2.860 -12.242 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.461 -3.581 -13.371 1.00 0.00 H new ATOM 597 N GLY A 40 -11.004 -8.490 -12.309 1.00 0.00 N ATOM 598 CA GLY A 40 -10.032 -9.502 -12.586 1.00 0.00 C ATOM 599 C GLY A 40 -9.130 -9.919 -11.476 1.00 0.00 C ATOM 600 O GLY A 40 -8.054 -10.477 -11.688 1.00 0.00 O ATOM 0 H GLY A 40 -11.578 -8.723 -11.498 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.561 -10.387 -12.939 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.410 -9.153 -13.410 1.00 0.00 H new ATOM 604 N GLN A 41 -9.543 -9.684 -10.218 1.00 0.00 N ATOM 605 CA GLN A 41 -9.000 -10.199 -8.999 1.00 0.00 C ATOM 606 C GLN A 41 -9.746 -11.444 -8.662 1.00 0.00 C ATOM 607 O GLN A 41 -10.797 -11.787 -9.202 1.00 0.00 O ATOM 608 CB GLN A 41 -9.080 -9.196 -7.836 1.00 0.00 C ATOM 609 CG GLN A 41 -8.476 -7.835 -8.188 1.00 0.00 C ATOM 610 CD GLN A 41 -6.980 -7.866 -8.467 1.00 0.00 C ATOM 611 OE1 GLN A 41 -6.447 -8.018 -9.565 1.00 0.00 O ATOM 612 NE2 GLN A 41 -6.133 -7.890 -7.403 1.00 0.00 N ATOM 0 H GLN A 41 -10.338 -9.071 -10.039 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.939 -10.400 -9.147 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.123 -9.063 -7.548 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.560 -9.607 -6.971 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.989 -7.439 -9.064 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.666 -7.143 -7.368 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.498 -7.771 -6.458 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.133 -8.027 -7.550 1.00 0.00 H new ATOM 621 N ASN A 42 -9.207 -12.081 -7.607 1.00 0.00 N ATOM 622 CA ASN A 42 -9.782 -13.270 -7.061 1.00 0.00 C ATOM 623 C ASN A 42 -9.635 -13.366 -5.581 1.00 0.00 C ATOM 624 O ASN A 42 -8.760 -14.122 -5.161 1.00 0.00 O ATOM 625 CB ASN A 42 -9.163 -14.510 -7.728 1.00 0.00 C ATOM 626 CG ASN A 42 -7.683 -14.404 -8.064 1.00 0.00 C ATOM 627 OD1 ASN A 42 -7.394 -14.022 -9.197 1.00 0.00 O ATOM 628 ND2 ASN A 42 -6.770 -14.674 -7.093 1.00 0.00 N ATOM 0 H ASN A 42 -8.363 -11.767 -7.128 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.851 -13.224 -7.271 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.307 -15.366 -7.068 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.712 -14.719 -8.646 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.774 -14.563 -7.284 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.081 -14.988 -6.174 1.00 0.00 H new ATOM 635 N PRO A 43 -10.460 -12.698 -4.831 1.00 0.00 N ATOM 636 CA PRO A 43 -10.513 -12.933 -3.417 1.00 0.00 C ATOM 637 C PRO A 43 -11.284 -14.142 -3.012 1.00 0.00 C ATOM 638 O PRO A 43 -11.616 -14.932 -3.894 1.00 0.00 O ATOM 639 CB PRO A 43 -11.276 -11.676 -3.006 1.00 0.00 C ATOM 640 CG PRO A 43 -12.248 -11.429 -4.171 1.00 0.00 C ATOM 641 CD PRO A 43 -11.226 -11.559 -5.312 1.00 0.00 C ATOM 0 HA PRO A 43 -9.533 -13.109 -2.972 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.809 -11.823 -2.067 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.603 -10.831 -2.862 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.047 -12.168 -4.226 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.723 -10.449 -4.132 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.698 -11.750 -6.276 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.615 -10.664 -5.429 1.00 0.00 H new ATOM 649 N THR A 44 -11.490 -14.311 -1.693 1.00 0.00 N ATOM 650 CA THR A 44 -12.482 -15.177 -1.138 1.00 0.00 C ATOM 651 C THR A 44 -13.473 -14.416 -0.327 1.00 0.00 C ATOM 652 O THR A 44 -13.209 -13.336 0.201 1.00 0.00 O ATOM 653 CB THR A 44 -11.981 -16.246 -0.213 1.00 0.00 C ATOM 654 OG1 THR A 44 -11.270 -15.756 0.914 1.00 0.00 O ATOM 655 CG2 THR A 44 -10.953 -17.155 -0.908 1.00 0.00 C ATOM 0 H THR A 44 -10.942 -13.823 -0.985 1.00 0.00 H new ATOM 0 HA THR A 44 -12.901 -15.643 -2.030 1.00 0.00 H new ATOM 0 HB THR A 44 -12.895 -16.757 0.088 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.552 -15.160 0.614 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.611 -17.918 -0.209 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.416 -17.634 -1.771 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.103 -16.558 -1.237 1.00 0.00 H new ATOM 663 N GLU A 45 -14.699 -14.921 -0.101 1.00 0.00 N ATOM 664 CA GLU A 45 -15.803 -14.380 0.629 1.00 0.00 C ATOM 665 C GLU A 45 -15.497 -14.123 2.064 1.00 0.00 C ATOM 666 O GLU A 45 -15.847 -13.039 2.529 1.00 0.00 O ATOM 667 CB GLU A 45 -17.051 -15.238 0.363 1.00 0.00 C ATOM 668 CG GLU A 45 -18.290 -14.561 0.954 1.00 0.00 C ATOM 669 CD GLU A 45 -19.507 -15.028 0.169 1.00 0.00 C ATOM 670 OE1 GLU A 45 -19.495 -14.786 -1.068 1.00 0.00 O ATOM 671 OE2 GLU A 45 -20.458 -15.627 0.738 1.00 0.00 O ATOM 0 H GLU A 45 -14.944 -15.834 -0.485 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.021 -13.377 0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.182 -15.381 -0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.923 -16.227 0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.397 -14.817 2.008 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.194 -13.477 0.897 1.00 0.00 H new ATOM 678 N ALA A 46 -14.859 -15.053 2.797 1.00 0.00 N ATOM 679 CA ALA A 46 -14.509 -14.888 4.173 1.00 0.00 C ATOM 680 C ALA A 46 -13.434 -13.878 4.384 1.00 0.00 C ATOM 681 O ALA A 46 -13.318 -13.201 5.404 1.00 0.00 O ATOM 682 CB ALA A 46 -14.186 -16.230 4.851 1.00 0.00 C ATOM 0 H ALA A 46 -14.576 -15.956 2.415 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.396 -14.487 4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.925 -16.057 5.895 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -15.057 -16.883 4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.346 -16.702 4.341 1.00 0.00 H new ATOM 688 N GLU A 47 -12.570 -13.635 3.382 1.00 0.00 N ATOM 689 CA GLU A 47 -11.603 -12.589 3.497 1.00 0.00 C ATOM 690 C GLU A 47 -12.238 -11.260 3.269 1.00 0.00 C ATOM 691 O GLU A 47 -11.890 -10.274 3.917 1.00 0.00 O ATOM 692 CB GLU A 47 -10.465 -12.845 2.495 1.00 0.00 C ATOM 693 CG GLU A 47 -9.634 -14.087 2.824 1.00 0.00 C ATOM 694 CD GLU A 47 -8.595 -14.462 1.776 1.00 0.00 C ATOM 695 OE1 GLU A 47 -8.855 -14.336 0.550 1.00 0.00 O ATOM 696 OE2 GLU A 47 -7.480 -14.754 2.286 1.00 0.00 O ATOM 0 H GLU A 47 -12.540 -14.154 2.505 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.190 -12.581 4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.888 -12.954 1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.810 -11.974 2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.127 -13.925 3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.309 -14.931 2.963 1.00 0.00 H new ATOM 703 N LEU A 48 -13.213 -11.121 2.354 1.00 0.00 N ATOM 704 CA LEU A 48 -14.058 -9.970 2.265 1.00 0.00 C ATOM 705 C LEU A 48 -14.941 -9.714 3.438 1.00 0.00 C ATOM 706 O LEU A 48 -15.182 -8.618 3.942 1.00 0.00 O ATOM 707 CB LEU A 48 -14.949 -10.078 1.016 1.00 0.00 C ATOM 708 CG LEU A 48 -14.215 -9.936 -0.327 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.172 -10.286 -1.479 1.00 0.00 C ATOM 710 CD2 LEU A 48 -13.552 -8.561 -0.512 1.00 0.00 C ATOM 0 H LEU A 48 -13.421 -11.832 1.653 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.364 -9.131 2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.457 -11.042 1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.721 -9.310 1.073 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.388 -10.646 -0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.649 -10.184 -2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.520 -11.313 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.026 -9.609 -1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.051 -8.526 -1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.313 -7.782 -0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.822 -8.400 0.281 1.00 0.00 H new ATOM 722 N GLN A 49 -15.478 -10.797 4.028 1.00 0.00 N ATOM 723 CA GLN A 49 -16.169 -10.648 5.272 1.00 0.00 C ATOM 724 C GLN A 49 -15.370 -10.235 6.460 1.00 0.00 C ATOM 725 O GLN A 49 -15.839 -9.348 7.171 1.00 0.00 O ATOM 726 CB GLN A 49 -17.028 -11.847 5.706 1.00 0.00 C ATOM 727 CG GLN A 49 -18.304 -11.606 6.514 1.00 0.00 C ATOM 728 CD GLN A 49 -18.924 -12.901 7.019 1.00 0.00 C ATOM 729 OE1 GLN A 49 -20.133 -13.112 6.939 1.00 0.00 O ATOM 730 NE2 GLN A 49 -18.131 -13.842 7.599 1.00 0.00 N ATOM 0 H GLN A 49 -15.437 -11.747 3.659 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.804 -9.811 4.982 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.310 -12.390 4.804 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.391 -12.510 6.291 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -18.077 -10.960 7.362 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -19.028 -11.077 5.895 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -17.126 -13.686 7.675 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -18.542 -14.704 7.958 1.00 0.00 H new ATOM 739 N ASP A 50 -14.201 -10.829 6.761 1.00 0.00 N ATOM 740 CA ASP A 50 -13.103 -10.283 7.496 1.00 0.00 C ATOM 741 C ASP A 50 -12.914 -8.811 7.368 1.00 0.00 C ATOM 742 O ASP A 50 -12.880 -8.088 8.363 1.00 0.00 O ATOM 743 CB ASP A 50 -11.797 -11.039 7.197 1.00 0.00 C ATOM 744 CG ASP A 50 -11.673 -12.304 8.034 1.00 0.00 C ATOM 745 OD1 ASP A 50 -12.564 -12.595 8.875 1.00 0.00 O ATOM 746 OD2 ASP A 50 -10.656 -13.006 7.788 1.00 0.00 O ATOM 0 H ASP A 50 -14.009 -11.784 6.459 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.376 -10.434 8.540 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.761 -11.298 6.139 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.946 -10.387 7.395 1.00 0.00 H new ATOM 751 N MET A 51 -12.967 -8.274 6.136 1.00 0.00 N ATOM 752 CA MET A 51 -12.683 -6.925 5.753 1.00 0.00 C ATOM 753 C MET A 51 -13.719 -5.952 6.201 1.00 0.00 C ATOM 754 O MET A 51 -13.512 -4.873 6.754 1.00 0.00 O ATOM 755 CB MET A 51 -12.482 -6.907 4.228 1.00 0.00 C ATOM 756 CG MET A 51 -12.652 -5.544 3.554 1.00 0.00 C ATOM 757 SD MET A 51 -12.095 -5.679 1.828 1.00 0.00 S ATOM 758 CE MET A 51 -11.664 -3.947 1.494 1.00 0.00 C ATOM 0 H MET A 51 -13.235 -8.841 5.332 1.00 0.00 H new ATOM 0 HA MET A 51 -11.775 -6.594 6.257 1.00 0.00 H new ATOM 0 HB2 MET A 51 -11.482 -7.279 4.007 1.00 0.00 H new ATOM 0 HB3 MET A 51 -13.188 -7.605 3.778 1.00 0.00 H new ATOM 0 HG2 MET A 51 -13.695 -5.230 3.592 1.00 0.00 H new ATOM 0 HG3 MET A 51 -12.072 -4.786 4.081 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.048 -3.892 0.596 1.00 0.00 H new ATOM 0 HE2 MET A 51 -12.575 -3.368 1.345 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.110 -3.540 2.340 1.00 0.00 H new ATOM 768 N ILE A 52 -14.968 -6.398 5.980 1.00 0.00 N ATOM 769 CA ILE A 52 -16.168 -5.940 6.610 1.00 0.00 C ATOM 770 C ILE A 52 -16.149 -5.902 8.099 1.00 0.00 C ATOM 771 O ILE A 52 -16.397 -4.826 8.640 1.00 0.00 O ATOM 772 CB ILE A 52 -17.424 -6.649 6.199 1.00 0.00 C ATOM 773 CG1 ILE A 52 -17.601 -6.711 4.672 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.608 -5.894 6.825 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.794 -7.583 4.282 1.00 0.00 C ATOM 0 H ILE A 52 -15.152 -7.140 5.305 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.187 -4.918 6.230 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.371 -7.681 6.547 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.741 -5.704 4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.694 -7.108 4.215 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.541 -6.384 6.546 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.508 -5.896 7.910 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.616 -4.866 6.463 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.890 -7.604 3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -18.641 -8.596 4.653 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.704 -7.171 4.718 1.00 0.00 H new ATOM 787 N ASN A 53 -15.866 -7.015 8.800 1.00 0.00 N ATOM 788 CA ASN A 53 -15.920 -7.056 10.229 1.00 0.00 C ATOM 789 C ASN A 53 -14.808 -6.350 10.924 1.00 0.00 C ATOM 790 O ASN A 53 -14.954 -5.879 12.051 1.00 0.00 O ATOM 791 CB ASN A 53 -15.863 -8.499 10.760 1.00 0.00 C ATOM 792 CG ASN A 53 -17.165 -9.283 10.687 1.00 0.00 C ATOM 793 OD1 ASN A 53 -18.182 -8.600 10.801 1.00 0.00 O ATOM 794 ND2 ASN A 53 -17.150 -10.624 10.462 1.00 0.00 N ATOM 0 H ASN A 53 -15.596 -7.899 8.369 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.864 -6.556 10.444 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.102 -9.042 10.200 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.535 -8.471 11.799 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -18.028 -11.136 10.375 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.261 -11.117 10.380 1.00 0.00 H new ATOM 801 N GLU A 54 -13.764 -6.002 10.150 1.00 0.00 N ATOM 802 CA GLU A 54 -12.800 -5.149 10.773 1.00 0.00 C ATOM 803 C GLU A 54 -13.283 -3.755 10.982 1.00 0.00 C ATOM 804 O GLU A 54 -12.957 -3.122 11.986 1.00 0.00 O ATOM 805 CB GLU A 54 -11.637 -5.122 9.767 1.00 0.00 C ATOM 806 CG GLU A 54 -10.402 -4.326 10.194 1.00 0.00 C ATOM 807 CD GLU A 54 -9.361 -4.442 9.089 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.568 -3.779 8.038 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.376 -5.211 9.251 1.00 0.00 O ATOM 0 H GLU A 54 -13.593 -6.279 9.183 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.547 -5.522 11.766 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.332 -6.149 9.566 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.004 -4.709 8.827 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.662 -3.281 10.364 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.006 -4.713 11.133 1.00 0.00 H new ATOM 816 N VAL A 55 -14.064 -3.160 10.064 1.00 0.00 N ATOM 817 CA VAL A 55 -14.582 -1.829 10.143 1.00 0.00 C ATOM 818 C VAL A 55 -15.970 -1.758 10.680 1.00 0.00 C ATOM 819 O VAL A 55 -16.342 -0.856 11.429 1.00 0.00 O ATOM 820 CB VAL A 55 -14.476 -1.139 8.816 1.00 0.00 C ATOM 821 CG1 VAL A 55 -12.989 -1.118 8.421 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.327 -1.759 7.695 1.00 0.00 C ATOM 0 H VAL A 55 -14.352 -3.640 9.211 1.00 0.00 H new ATOM 0 HA VAL A 55 -13.960 -1.302 10.866 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.881 -0.134 8.935 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.876 -0.622 7.457 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.419 -0.578 9.177 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.617 -2.140 8.349 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.185 -1.193 6.775 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.021 -2.793 7.536 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.379 -1.731 7.979 1.00 0.00 H new ATOM 832 N ASP A 56 -16.769 -2.839 10.641 1.00 0.00 N ATOM 833 CA ASP A 56 -18.092 -2.915 11.179 1.00 0.00 C ATOM 834 C ASP A 56 -18.155 -3.030 12.663 1.00 0.00 C ATOM 835 O ASP A 56 -17.926 -4.089 13.245 1.00 0.00 O ATOM 836 CB ASP A 56 -18.916 -3.994 10.456 1.00 0.00 C ATOM 837 CG ASP A 56 -20.430 -3.851 10.519 1.00 0.00 C ATOM 838 OD1 ASP A 56 -21.068 -4.128 11.570 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.945 -3.376 9.472 1.00 0.00 O ATOM 0 H ASP A 56 -16.473 -3.713 10.207 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.554 -1.948 10.979 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.618 -4.005 9.408 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.648 -4.964 10.874 1.00 0.00 H new ATOM 844 N ALA A 57 -18.366 -1.912 13.381 1.00 0.00 N ATOM 845 CA ALA A 57 -18.756 -1.854 14.756 1.00 0.00 C ATOM 846 C ALA A 57 -20.058 -1.203 15.072 1.00 0.00 C ATOM 847 O ALA A 57 -20.387 -1.094 16.252 1.00 0.00 O ATOM 848 CB ALA A 57 -17.592 -1.135 15.460 1.00 0.00 C ATOM 0 H ALA A 57 -18.256 -0.984 12.971 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.939 -2.872 15.100 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.809 -1.047 16.525 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.675 -1.707 15.323 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -17.467 -0.140 15.032 1.00 0.00 H new ATOM 854 N ASP A 58 -20.827 -0.903 14.010 1.00 0.00 N ATOM 855 CA ASP A 58 -22.165 -0.400 14.059 1.00 0.00 C ATOM 856 C ASP A 58 -23.131 -1.517 14.256 1.00 0.00 C ATOM 857 O ASP A 58 -24.127 -1.327 14.953 1.00 0.00 O ATOM 858 CB ASP A 58 -22.421 0.467 12.815 1.00 0.00 C ATOM 859 CG ASP A 58 -22.496 -0.308 11.507 1.00 0.00 C ATOM 860 OD1 ASP A 58 -21.604 -1.168 11.279 1.00 0.00 O ATOM 861 OD2 ASP A 58 -23.362 -0.022 10.637 1.00 0.00 O ATOM 0 H ASP A 58 -20.491 -1.020 13.054 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.311 0.251 14.921 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -23.355 1.011 12.954 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -21.628 1.210 12.737 1.00 0.00 H new ATOM 866 N GLY A 59 -22.761 -2.674 13.678 1.00 0.00 N ATOM 867 CA GLY A 59 -23.497 -3.896 13.784 1.00 0.00 C ATOM 868 C GLY A 59 -24.315 -4.394 12.643 1.00 0.00 C ATOM 869 O GLY A 59 -24.986 -5.413 12.798 1.00 0.00 O ATOM 0 H GLY A 59 -21.915 -2.762 13.114 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.782 -4.680 14.032 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -24.167 -3.794 14.638 1.00 0.00 H new ATOM 873 N ASN A 60 -24.370 -3.796 11.439 1.00 0.00 N ATOM 874 CA ASN A 60 -25.125 -4.293 10.332 1.00 0.00 C ATOM 875 C ASN A 60 -24.542 -5.430 9.567 1.00 0.00 C ATOM 876 O ASN A 60 -25.255 -6.169 8.890 1.00 0.00 O ATOM 877 CB ASN A 60 -25.763 -3.164 9.504 1.00 0.00 C ATOM 878 CG ASN A 60 -24.730 -2.359 8.728 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.536 -2.648 8.781 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.226 -1.421 7.878 1.00 0.00 N ATOM 0 H ASN A 60 -23.869 -2.933 11.229 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.962 -4.820 10.791 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.485 -3.591 8.808 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.315 -2.498 10.167 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -24.599 -0.922 7.247 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.225 -1.216 7.871 1.00 0.00 H new ATOM 887 N GLY A 61 -23.198 -5.486 9.547 1.00 0.00 N ATOM 888 CA GLY A 61 -22.532 -6.467 8.748 1.00 0.00 C ATOM 889 C GLY A 61 -22.401 -6.209 7.286 1.00 0.00 C ATOM 890 O GLY A 61 -21.736 -6.880 6.497 1.00 0.00 O ATOM 0 H GLY A 61 -22.583 -4.865 10.073 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.530 -6.603 9.154 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -23.058 -7.413 8.874 1.00 0.00 H new ATOM 894 N THR A 62 -22.914 -5.054 6.825 1.00 0.00 N ATOM 895 CA THR A 62 -22.707 -4.480 5.532 1.00 0.00 C ATOM 896 C THR A 62 -21.898 -3.230 5.586 1.00 0.00 C ATOM 897 O THR A 62 -21.775 -2.627 6.652 1.00 0.00 O ATOM 898 CB THR A 62 -23.947 -4.162 4.750 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.853 -3.292 5.413 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.761 -5.434 4.459 1.00 0.00 C ATOM 0 H THR A 62 -23.523 -4.476 7.405 1.00 0.00 H new ATOM 0 HA THR A 62 -22.179 -5.281 5.015 1.00 0.00 H new ATOM 0 HB THR A 62 -23.563 -3.681 3.850 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.528 -2.976 4.777 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.654 -5.173 3.891 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.154 -6.130 3.880 1.00 0.00 H new ATOM 0 HG23 THR A 62 -25.053 -5.902 5.399 1.00 0.00 H new ATOM 908 N ILE A 63 -21.338 -2.714 4.478 1.00 0.00 N ATOM 909 CA ILE A 63 -20.520 -1.542 4.521 1.00 0.00 C ATOM 910 C ILE A 63 -21.329 -0.382 4.052 1.00 0.00 C ATOM 911 O ILE A 63 -21.958 -0.402 2.996 1.00 0.00 O ATOM 912 CB ILE A 63 -19.169 -1.750 3.904 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.414 -2.939 4.522 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.348 -0.472 4.142 1.00 0.00 C ATOM 915 CD1 ILE A 63 -16.939 -3.003 4.127 1.00 0.00 C ATOM 0 H ILE A 63 -21.453 -3.112 3.546 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.230 -1.299 5.543 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.305 -1.966 2.844 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.488 -2.880 5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -18.903 -3.865 4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.357 -0.590 3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -18.851 0.376 3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.253 -0.295 5.213 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.473 -3.867 4.601 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -16.856 -3.094 3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.435 -2.094 4.454 1.00 0.00 H new ATOM 927 N ASP A 64 -21.419 0.685 4.866 1.00 0.00 N ATOM 928 CA ASP A 64 -22.288 1.804 4.671 1.00 0.00 C ATOM 929 C ASP A 64 -21.454 2.999 4.360 1.00 0.00 C ATOM 930 O ASP A 64 -20.231 2.980 4.490 1.00 0.00 O ATOM 931 CB ASP A 64 -23.239 2.025 5.859 1.00 0.00 C ATOM 932 CG ASP A 64 -22.608 1.984 7.244 1.00 0.00 C ATOM 933 OD1 ASP A 64 -22.195 0.885 7.699 1.00 0.00 O ATOM 934 OD2 ASP A 64 -22.438 3.069 7.862 1.00 0.00 O ATOM 0 H ASP A 64 -20.852 0.771 5.709 1.00 0.00 H new ATOM 0 HA ASP A 64 -22.949 1.607 3.827 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -23.725 2.992 5.733 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.021 1.267 5.817 1.00 0.00 H new ATOM 939 N PHE A 65 -22.025 4.119 3.882 1.00 0.00 N ATOM 940 CA PHE A 65 -21.207 5.141 3.307 1.00 0.00 C ATOM 941 C PHE A 65 -20.262 5.820 4.238 1.00 0.00 C ATOM 942 O PHE A 65 -19.109 5.889 3.816 1.00 0.00 O ATOM 943 CB PHE A 65 -22.130 6.187 2.659 1.00 0.00 C ATOM 944 CG PHE A 65 -21.488 7.374 2.027 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.881 7.154 0.813 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.481 8.616 2.618 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.316 8.233 0.175 1.00 0.00 C ATOM 948 CE2 PHE A 65 -20.948 9.669 1.912 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.370 9.512 0.675 1.00 0.00 C ATOM 0 H PHE A 65 -23.026 4.315 3.892 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.565 4.638 2.584 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -22.728 5.683 1.899 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -22.821 6.545 3.422 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.849 6.167 0.375 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -21.883 8.760 3.610 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.806 8.068 -0.763 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -20.985 10.657 2.346 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.977 10.353 0.123 1.00 0.00 H new ATOM 959 N PRO A 66 -20.424 6.322 5.426 1.00 0.00 N ATOM 960 CA PRO A 66 -19.339 6.868 6.188 1.00 0.00 C ATOM 961 C PRO A 66 -18.323 5.866 6.618 1.00 0.00 C ATOM 962 O PRO A 66 -17.142 6.190 6.736 1.00 0.00 O ATOM 963 CB PRO A 66 -20.017 7.376 7.459 1.00 0.00 C ATOM 964 CG PRO A 66 -21.368 6.649 7.558 1.00 0.00 C ATOM 965 CD PRO A 66 -21.720 6.459 6.074 1.00 0.00 C ATOM 0 HA PRO A 66 -18.808 7.605 5.585 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.402 7.170 8.335 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.160 8.456 7.416 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -21.285 5.699 8.085 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.116 7.242 8.085 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.340 5.576 5.920 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.275 7.311 5.682 1.00 0.00 H new ATOM 973 N GLU A 67 -18.763 4.605 6.776 1.00 0.00 N ATOM 974 CA GLU A 67 -17.840 3.537 7.003 1.00 0.00 C ATOM 975 C GLU A 67 -16.912 3.253 5.872 1.00 0.00 C ATOM 976 O GLU A 67 -15.702 3.111 6.038 1.00 0.00 O ATOM 977 CB GLU A 67 -18.585 2.224 7.295 1.00 0.00 C ATOM 978 CG GLU A 67 -17.884 1.119 8.088 1.00 0.00 C ATOM 979 CD GLU A 67 -18.930 0.115 8.549 1.00 0.00 C ATOM 980 OE1 GLU A 67 -19.256 -0.788 7.733 1.00 0.00 O ATOM 981 OE2 GLU A 67 -19.541 0.324 9.632 1.00 0.00 O ATOM 0 H GLU A 67 -19.744 4.327 6.747 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.249 3.884 7.851 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.500 2.480 7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.884 1.799 6.337 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.134 0.627 7.469 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.362 1.542 8.946 1.00 0.00 H new ATOM 988 N PHE A 68 -17.450 3.208 4.640 1.00 0.00 N ATOM 989 CA PHE A 68 -16.758 3.084 3.394 1.00 0.00 C ATOM 990 C PHE A 68 -15.837 4.226 3.135 1.00 0.00 C ATOM 991 O PHE A 68 -14.689 4.057 2.727 1.00 0.00 O ATOM 992 CB PHE A 68 -17.759 3.005 2.229 1.00 0.00 C ATOM 993 CG PHE A 68 -17.173 3.118 0.863 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.780 1.966 0.223 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.151 4.344 0.241 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.469 2.024 -1.115 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.788 4.376 -1.085 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.522 3.223 -1.786 1.00 0.00 C ATOM 0 H PHE A 68 -18.460 3.263 4.506 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.169 2.169 3.463 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.294 2.058 2.297 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.497 3.797 2.354 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -16.717 1.032 0.762 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.409 5.247 0.774 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.182 1.125 -1.641 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.710 5.329 -1.588 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.356 3.259 -2.853 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.306 5.442 3.467 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.492 6.611 3.345 1.00 0.00 C ATOM 1010 C LEU A 69 -14.328 6.603 4.276 1.00 0.00 C ATOM 1011 O LEU A 69 -13.200 6.906 3.892 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.398 7.851 3.429 1.00 0.00 C ATOM 1013 CG LEU A 69 -16.045 9.146 2.678 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -16.657 10.403 3.319 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -14.588 9.233 2.193 1.00 0.00 C ATOM 0 H LEU A 69 -17.247 5.616 3.819 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.010 6.632 2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.388 7.546 3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -16.488 8.109 4.484 1.00 0.00 H new ATOM 0 HG LEU A 69 -16.564 9.094 1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -16.370 11.282 2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -17.743 10.314 3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -16.292 10.505 4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.433 10.180 1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -13.915 9.173 3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.382 8.408 1.511 1.00 0.00 H new ATOM 1027 N THR A 70 -14.507 6.065 5.495 1.00 0.00 N ATOM 1028 CA THR A 70 -13.525 5.861 6.515 1.00 0.00 C ATOM 1029 C THR A 70 -12.502 4.848 6.130 1.00 0.00 C ATOM 1030 O THR A 70 -11.326 5.125 6.363 1.00 0.00 O ATOM 1031 CB THR A 70 -14.004 5.522 7.895 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.846 6.572 8.347 1.00 0.00 O ATOM 1033 CG2 THR A 70 -12.979 5.378 9.032 1.00 0.00 C ATOM 0 H THR A 70 -15.428 5.743 5.793 1.00 0.00 H new ATOM 0 HA THR A 70 -13.105 6.865 6.582 1.00 0.00 H new ATOM 0 HB THR A 70 -14.447 4.538 7.740 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.692 6.548 7.853 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.496 5.132 9.959 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.274 4.584 8.788 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.439 6.317 9.156 1.00 0.00 H new ATOM 1041 N MET A 71 -12.821 3.771 5.390 1.00 0.00 N ATOM 1042 CA MET A 71 -11.908 2.831 4.819 1.00 0.00 C ATOM 1043 C MET A 71 -11.188 3.525 3.714 1.00 0.00 C ATOM 1044 O MET A 71 -9.975 3.367 3.584 1.00 0.00 O ATOM 1045 CB MET A 71 -12.608 1.556 4.319 1.00 0.00 C ATOM 1046 CG MET A 71 -11.605 0.539 3.774 1.00 0.00 C ATOM 1047 SD MET A 71 -12.289 -0.947 2.980 1.00 0.00 S ATOM 1048 CE MET A 71 -12.812 -1.779 4.506 1.00 0.00 C ATOM 0 H MET A 71 -13.791 3.542 5.176 1.00 0.00 H new ATOM 0 HA MET A 71 -11.208 2.494 5.583 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.174 1.108 5.135 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.324 1.815 3.539 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.966 1.046 3.051 1.00 0.00 H new ATOM 0 HG3 MET A 71 -10.965 0.220 4.596 1.00 0.00 H new ATOM 0 HE1 MET A 71 -13.223 -2.759 4.264 1.00 0.00 H new ATOM 0 HE2 MET A 71 -11.954 -1.899 5.168 1.00 0.00 H new ATOM 0 HE3 MET A 71 -13.574 -1.180 5.005 1.00 0.00 H new ATOM 1058 N MET A 72 -11.774 4.349 2.827 1.00 0.00 N ATOM 1059 CA MET A 72 -11.094 4.976 1.736 1.00 0.00 C ATOM 1060 C MET A 72 -10.126 6.061 2.061 1.00 0.00 C ATOM 1061 O MET A 72 -9.121 6.256 1.379 1.00 0.00 O ATOM 1062 CB MET A 72 -12.067 5.429 0.635 1.00 0.00 C ATOM 1063 CG MET A 72 -12.929 4.285 0.095 1.00 0.00 C ATOM 1064 SD MET A 72 -11.937 3.125 -0.892 1.00 0.00 S ATOM 1065 CE MET A 72 -13.122 1.749 -0.912 1.00 0.00 C ATOM 0 H MET A 72 -12.764 4.589 2.872 1.00 0.00 H new ATOM 0 HA MET A 72 -10.460 4.168 1.370 1.00 0.00 H new ATOM 0 HB2 MET A 72 -12.716 6.211 1.030 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.500 5.869 -0.186 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.395 3.754 0.925 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.735 4.691 -0.517 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.582 0.803 -0.864 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.788 1.830 -0.053 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.708 1.787 -1.830 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.399 6.848 3.117 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.396 7.665 3.727 1.00 0.00 C ATOM 1077 C ALA A 73 -8.270 6.916 4.353 1.00 0.00 C ATOM 1078 O ALA A 73 -7.128 7.374 4.336 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.146 8.443 4.821 1.00 0.00 C ATOM 0 H ALA A 73 -11.320 6.919 3.550 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.925 8.282 2.961 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.450 9.099 5.343 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.936 9.041 4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.585 7.741 5.530 1.00 0.00 H new ATOM 1234 N GLU A 83 2.469 -5.323 -1.082 1.00 0.00 N ATOM 1235 CA GLU A 83 1.470 -6.040 -1.812 1.00 0.00 C ATOM 1236 C GLU A 83 0.756 -5.161 -2.781 1.00 0.00 C ATOM 1237 O GLU A 83 0.779 -5.375 -3.992 1.00 0.00 O ATOM 1238 CB GLU A 83 0.417 -6.742 -0.937 1.00 0.00 C ATOM 1239 CG GLU A 83 0.826 -7.962 -0.109 1.00 0.00 C ATOM 1240 CD GLU A 83 1.567 -8.990 -0.951 1.00 0.00 C ATOM 1241 OE1 GLU A 83 2.813 -8.882 -1.106 1.00 0.00 O ATOM 1242 OE2 GLU A 83 0.969 -9.964 -1.482 1.00 0.00 O ATOM 0 HA GLU A 83 2.035 -6.812 -2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.014 -5.999 -0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.401 -7.048 -1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.460 -7.644 0.719 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.062 -8.420 0.327 1.00 0.00 H new ATOM 1249 N GLU A 84 0.091 -4.097 -2.299 1.00 0.00 N ATOM 1250 CA GLU A 84 -0.639 -3.199 -3.140 1.00 0.00 C ATOM 1251 C GLU A 84 0.075 -2.243 -4.032 1.00 0.00 C ATOM 1252 O GLU A 84 -0.484 -1.841 -5.051 1.00 0.00 O ATOM 1253 CB GLU A 84 -1.481 -2.309 -2.210 1.00 0.00 C ATOM 1254 CG GLU A 84 -2.539 -2.959 -1.317 1.00 0.00 C ATOM 1255 CD GLU A 84 -3.463 -3.993 -1.946 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -4.179 -3.543 -2.879 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -3.486 -5.208 -1.612 1.00 0.00 O ATOM 0 H GLU A 84 0.059 -3.855 -1.309 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.147 -3.880 -3.822 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.792 -1.766 -1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.985 -1.569 -2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.025 -3.434 -0.481 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.159 -2.165 -0.901 1.00 0.00 H new ATOM 1264 N ILE A 85 1.387 -2.002 -3.862 1.00 0.00 N ATOM 1265 CA ILE A 85 2.122 -1.311 -4.876 1.00 0.00 C ATOM 1266 C ILE A 85 2.394 -2.181 -6.055 1.00 0.00 C ATOM 1267 O ILE A 85 2.212 -1.839 -7.222 1.00 0.00 O ATOM 1268 CB ILE A 85 3.392 -0.688 -4.380 1.00 0.00 C ATOM 1269 CG1 ILE A 85 4.607 -1.585 -4.089 1.00 0.00 C ATOM 1270 CG2 ILE A 85 2.957 0.102 -3.134 1.00 0.00 C ATOM 1271 CD1 ILE A 85 5.655 -0.859 -3.246 1.00 0.00 C ATOM 0 H ILE A 85 1.929 -2.278 -3.043 1.00 0.00 H new ATOM 0 HA ILE A 85 1.474 -0.492 -5.189 1.00 0.00 H new ATOM 0 HB ILE A 85 3.807 -0.096 -5.196 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.279 -2.484 -3.567 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.055 -1.907 -5.029 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.824 0.597 -2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.216 0.850 -3.418 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.522 -0.581 -2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.498 -1.525 -3.061 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.002 0.026 -3.779 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.214 -0.560 -2.295 1.00 0.00 H new ATOM 1283 N ARG A 86 2.810 -3.414 -5.716 1.00 0.00 N ATOM 1284 CA ARG A 86 2.932 -4.537 -6.593 1.00 0.00 C ATOM 1285 C ARG A 86 1.719 -4.897 -7.381 1.00 0.00 C ATOM 1286 O ARG A 86 1.758 -5.023 -8.604 1.00 0.00 O ATOM 1287 CB ARG A 86 3.475 -5.858 -6.022 1.00 0.00 C ATOM 1288 CG ARG A 86 4.032 -6.893 -7.002 1.00 0.00 C ATOM 1289 CD ARG A 86 4.539 -8.148 -6.289 1.00 0.00 C ATOM 1290 NE ARG A 86 3.320 -8.831 -5.774 1.00 0.00 N ATOM 1291 CZ ARG A 86 3.075 -9.090 -4.456 1.00 0.00 C ATOM 1292 NH1 ARG A 86 3.984 -8.836 -3.470 1.00 0.00 N ATOM 1293 NH2 ARG A 86 1.917 -9.681 -4.039 1.00 0.00 N ATOM 0 H ARG A 86 3.080 -3.641 -4.759 1.00 0.00 H new ATOM 0 HA ARG A 86 3.697 -4.096 -7.232 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.264 -5.614 -5.311 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.672 -6.332 -5.457 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.256 -7.171 -7.715 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.846 -6.448 -7.574 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.091 -8.793 -6.973 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.218 -7.891 -5.476 1.00 0.00 H new ATOM 0 HE ARG A 86 2.619 -9.126 -6.454 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.892 -8.435 -3.705 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.755 -9.047 -2.499 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.204 -9.943 -4.720 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.765 -9.861 -3.047 1.00 0.00 H new ATOM 1307 N GLU A 87 0.633 -5.258 -6.675 1.00 0.00 N ATOM 1308 CA GLU A 87 -0.534 -5.715 -7.363 1.00 0.00 C ATOM 1309 C GLU A 87 -1.314 -4.657 -8.065 1.00 0.00 C ATOM 1310 O GLU A 87 -1.932 -4.983 -9.077 1.00 0.00 O ATOM 1311 CB GLU A 87 -1.377 -6.603 -6.432 1.00 0.00 C ATOM 1312 CG GLU A 87 -0.673 -7.880 -5.967 1.00 0.00 C ATOM 1313 CD GLU A 87 -0.281 -8.826 -7.094 1.00 0.00 C ATOM 1314 OE1 GLU A 87 -1.100 -9.095 -8.012 1.00 0.00 O ATOM 1315 OE2 GLU A 87 0.824 -9.432 -7.062 1.00 0.00 O ATOM 0 H GLU A 87 0.561 -5.236 -5.658 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.189 -6.327 -8.196 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.663 -6.021 -5.556 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.298 -6.877 -6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.223 -7.605 -5.411 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.327 -8.410 -5.275 1.00 0.00 H new ATOM 1322 N ALA A 88 -1.161 -3.354 -7.771 1.00 0.00 N ATOM 1323 CA ALA A 88 -1.572 -2.258 -8.592 1.00 0.00 C ATOM 1324 C ALA A 88 -0.716 -1.997 -9.784 1.00 0.00 C ATOM 1325 O ALA A 88 -1.203 -1.584 -10.835 1.00 0.00 O ATOM 1326 CB ALA A 88 -1.543 -0.950 -7.783 1.00 0.00 C ATOM 0 H ALA A 88 -0.722 -3.047 -6.903 1.00 0.00 H new ATOM 0 HA ALA A 88 -2.566 -2.550 -8.931 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.858 -0.122 -8.418 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.220 -1.033 -6.933 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.530 -0.767 -7.424 1.00 0.00 H new ATOM 1332 N PHE A 89 0.595 -2.272 -9.667 1.00 0.00 N ATOM 1333 CA PHE A 89 1.491 -2.208 -10.780 1.00 0.00 C ATOM 1334 C PHE A 89 1.231 -3.367 -11.679 1.00 0.00 C ATOM 1335 O PHE A 89 1.247 -3.224 -12.901 1.00 0.00 O ATOM 1336 CB PHE A 89 2.992 -2.241 -10.446 1.00 0.00 C ATOM 1337 CG PHE A 89 3.915 -1.868 -11.555 1.00 0.00 C ATOM 1338 CD1 PHE A 89 4.352 -2.832 -12.432 1.00 0.00 C ATOM 1339 CD2 PHE A 89 4.211 -0.554 -11.833 1.00 0.00 C ATOM 1340 CE1 PHE A 89 4.941 -2.469 -13.620 1.00 0.00 C ATOM 1341 CE2 PHE A 89 4.995 -0.218 -12.911 1.00 0.00 C ATOM 1342 CZ PHE A 89 5.294 -1.163 -13.864 1.00 0.00 C ATOM 0 H PHE A 89 1.039 -2.542 -8.789 1.00 0.00 H new ATOM 0 HA PHE A 89 1.290 -1.236 -11.231 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.173 -1.568 -9.607 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.247 -3.246 -10.109 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.232 -3.877 -12.187 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.822 0.225 -11.195 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.129 -3.221 -14.372 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.376 0.788 -13.009 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.793 -0.886 -14.781 1.00 0.00 H new ATOM 1352 N ARG A 90 0.871 -4.545 -11.139 1.00 0.00 N ATOM 1353 CA ARG A 90 0.358 -5.638 -11.904 1.00 0.00 C ATOM 1354 C ARG A 90 -0.904 -5.377 -12.652 1.00 0.00 C ATOM 1355 O ARG A 90 -1.049 -5.768 -13.809 1.00 0.00 O ATOM 1356 CB ARG A 90 0.434 -6.979 -11.154 1.00 0.00 C ATOM 1357 CG ARG A 90 -0.053 -8.232 -11.885 1.00 0.00 C ATOM 1358 CD ARG A 90 0.929 -8.798 -12.913 1.00 0.00 C ATOM 1359 NE ARG A 90 0.657 -8.197 -14.249 1.00 0.00 N ATOM 1360 CZ ARG A 90 0.640 -8.889 -15.425 1.00 0.00 C ATOM 1361 NH1 ARG A 90 1.144 -10.151 -15.558 1.00 0.00 N ATOM 1362 NH2 ARG A 90 0.108 -8.308 -16.540 1.00 0.00 N ATOM 0 H ARG A 90 0.939 -4.743 -10.141 1.00 0.00 H new ATOM 0 HA ARG A 90 1.057 -5.747 -12.734 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.472 -7.142 -10.864 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.143 -6.882 -10.234 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.270 -9.004 -11.147 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.991 -8.000 -12.389 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.953 -8.584 -12.609 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.832 -9.882 -12.965 1.00 0.00 H new ATOM 0 HE ARG A 90 0.470 -7.195 -14.287 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.559 -10.622 -14.754 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.105 -10.623 -16.461 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.273 -7.363 -16.490 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.092 -8.819 -17.423 1.00 0.00 H new ATOM 1376 N VAL A 91 -1.882 -4.657 -12.074 1.00 0.00 N ATOM 1377 CA VAL A 91 -3.125 -4.273 -12.668 1.00 0.00 C ATOM 1378 C VAL A 91 -2.983 -3.291 -13.779 1.00 0.00 C ATOM 1379 O VAL A 91 -3.451 -3.567 -14.882 1.00 0.00 O ATOM 1380 CB VAL A 91 -4.072 -3.784 -11.613 1.00 0.00 C ATOM 1381 CG1 VAL A 91 -5.244 -2.974 -12.192 1.00 0.00 C ATOM 1382 CG2 VAL A 91 -4.760 -4.968 -10.912 1.00 0.00 C ATOM 0 H VAL A 91 -1.795 -4.317 -11.116 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.540 -5.167 -13.133 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.457 -3.178 -10.948 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.896 -2.647 -11.382 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.858 -2.103 -12.721 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.810 -3.597 -12.884 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.443 -4.593 -10.150 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.318 -5.550 -11.645 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.007 -5.601 -10.444 1.00 0.00 H new ATOM 1392 N PHE A 92 -2.199 -2.213 -13.598 1.00 0.00 N ATOM 1393 CA PHE A 92 -1.853 -1.346 -14.681 1.00 0.00 C ATOM 1394 C PHE A 92 -1.030 -1.966 -15.757 1.00 0.00 C ATOM 1395 O PHE A 92 -1.321 -1.671 -16.915 1.00 0.00 O ATOM 1396 CB PHE A 92 -1.058 -0.121 -14.199 1.00 0.00 C ATOM 1397 CG PHE A 92 -1.893 0.820 -13.400 1.00 0.00 C ATOM 1398 CD1 PHE A 92 -3.146 1.211 -13.809 1.00 0.00 C ATOM 1399 CD2 PHE A 92 -1.413 1.288 -12.199 1.00 0.00 C ATOM 1400 CE1 PHE A 92 -3.995 1.887 -12.965 1.00 0.00 C ATOM 1401 CE2 PHE A 92 -2.290 1.832 -11.291 1.00 0.00 C ATOM 1402 CZ PHE A 92 -3.563 2.165 -11.690 1.00 0.00 C ATOM 0 H PHE A 92 -1.803 -1.941 -12.698 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.827 -1.080 -15.091 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.213 -0.454 -13.596 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.647 0.404 -15.061 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.470 0.982 -14.814 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.359 1.229 -11.972 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.977 2.192 -13.295 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.981 1.997 -10.269 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.231 2.650 -10.994 1.00 0.00 H new ATOM 1412 N ASP A 93 -0.029 -2.788 -15.394 1.00 0.00 N ATOM 1413 CA ASP A 93 0.833 -3.395 -16.361 1.00 0.00 C ATOM 1414 C ASP A 93 0.179 -4.637 -16.860 1.00 0.00 C ATOM 1415 O ASP A 93 0.241 -5.768 -16.380 1.00 0.00 O ATOM 1416 CB ASP A 93 2.240 -3.640 -15.790 1.00 0.00 C ATOM 1417 CG ASP A 93 3.146 -4.100 -16.923 1.00 0.00 C ATOM 1418 OD1 ASP A 93 2.757 -4.010 -18.118 1.00 0.00 O ATOM 1419 OD2 ASP A 93 4.303 -4.476 -16.595 1.00 0.00 O ATOM 0 H ASP A 93 0.184 -3.033 -14.427 1.00 0.00 H new ATOM 0 HA ASP A 93 0.983 -2.721 -17.205 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.630 -2.728 -15.339 1.00 0.00 H new ATOM 0 HB3 ASP A 93 2.204 -4.394 -15.004 1.00 0.00 H new ATOM 1424 N LYS A 94 -0.522 -4.427 -17.989 1.00 0.00 N ATOM 1425 CA LYS A 94 -1.479 -5.321 -18.563 1.00 0.00 C ATOM 1426 C LYS A 94 -0.818 -6.512 -19.167 1.00 0.00 C ATOM 1427 O LYS A 94 -1.102 -7.688 -18.947 1.00 0.00 O ATOM 1428 CB LYS A 94 -2.360 -4.451 -19.475 1.00 0.00 C ATOM 1429 CG LYS A 94 -3.483 -5.150 -20.243 1.00 0.00 C ATOM 1430 CD LYS A 94 -4.634 -5.584 -19.333 1.00 0.00 C ATOM 1431 CE LYS A 94 -5.668 -6.562 -19.896 1.00 0.00 C ATOM 1432 NZ LYS A 94 -6.619 -6.914 -18.818 1.00 0.00 N ATOM 0 H LYS A 94 -0.412 -3.574 -18.537 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.137 -5.798 -17.836 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.807 -3.667 -18.864 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.712 -3.959 -20.200 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.865 -4.479 -21.012 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.080 -6.024 -20.755 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.201 -6.034 -18.439 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.163 -4.686 -19.014 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.197 -6.111 -20.736 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.175 -7.458 -20.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.329 -7.579 -19.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.103 -7.358 -18.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.094 -6.053 -18.479 1.00 0.00 H new ATOM 1446 N ASP A 95 0.146 -6.241 -20.065 1.00 0.00 N ATOM 1447 CA ASP A 95 0.922 -7.153 -20.847 1.00 0.00 C ATOM 1448 C ASP A 95 1.897 -7.866 -19.976 1.00 0.00 C ATOM 1449 O ASP A 95 2.269 -8.998 -20.283 1.00 0.00 O ATOM 1450 CB ASP A 95 1.547 -6.416 -22.043 1.00 0.00 C ATOM 1451 CG ASP A 95 2.364 -5.191 -21.655 1.00 0.00 C ATOM 1452 OD1 ASP A 95 3.263 -5.285 -20.777 1.00 0.00 O ATOM 1453 OD2 ASP A 95 2.029 -4.081 -22.148 1.00 0.00 O ATOM 0 H ASP A 95 0.408 -5.275 -20.262 1.00 0.00 H new ATOM 0 HA ASP A 95 0.291 -7.930 -21.278 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.187 -7.109 -22.590 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.753 -6.110 -22.724 1.00 0.00 H new ATOM 1458 N GLY A 96 2.363 -7.160 -18.930 1.00 0.00 N ATOM 1459 CA GLY A 96 3.384 -7.533 -18.001 1.00 0.00 C ATOM 1460 C GLY A 96 4.846 -7.429 -18.270 1.00 0.00 C ATOM 1461 O GLY A 96 5.557 -8.177 -17.600 1.00 0.00 O ATOM 0 H GLY A 96 1.985 -6.237 -18.716 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.200 -6.949 -17.099 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.197 -8.577 -17.749 1.00 0.00 H new ATOM 1465 N ASN A 97 5.295 -6.584 -19.215 1.00 0.00 N ATOM 1466 CA ASN A 97 6.658 -6.320 -19.557 1.00 0.00 C ATOM 1467 C ASN A 97 7.545 -5.563 -18.629 1.00 0.00 C ATOM 1468 O ASN A 97 8.764 -5.723 -18.610 1.00 0.00 O ATOM 1469 CB ASN A 97 6.779 -5.730 -20.972 1.00 0.00 C ATOM 1470 CG ASN A 97 6.285 -4.291 -21.009 1.00 0.00 C ATOM 1471 OD1 ASN A 97 5.524 -3.773 -20.193 1.00 0.00 O ATOM 1472 ND2 ASN A 97 6.789 -3.512 -22.004 1.00 0.00 N ATOM 0 H ASN A 97 4.649 -6.041 -19.787 1.00 0.00 H new ATOM 0 HA ASN A 97 7.057 -7.331 -19.474 1.00 0.00 H new ATOM 0 HB2 ASN A 97 7.818 -5.770 -21.298 1.00 0.00 H new ATOM 0 HB3 ASN A 97 6.202 -6.334 -21.672 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.533 -2.526 -22.059 1.00 0.00 H new ATOM 0 HD22 ASN A 97 7.422 -3.914 -22.695 1.00 0.00 H new ATOM 1479 N GLY A 98 6.895 -4.721 -17.806 1.00 0.00 N ATOM 1480 CA GLY A 98 7.659 -4.067 -16.790 1.00 0.00 C ATOM 1481 C GLY A 98 7.522 -2.586 -16.880 1.00 0.00 C ATOM 1482 O GLY A 98 8.291 -1.887 -16.223 1.00 0.00 O ATOM 0 H GLY A 98 5.899 -4.501 -17.836 1.00 0.00 H new ATOM 0 HA2 GLY A 98 7.329 -4.406 -15.808 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.709 -4.344 -16.886 1.00 0.00 H new ATOM 1486 N TYR A 99 6.598 -2.021 -17.678 1.00 0.00 N ATOM 1487 CA TYR A 99 6.376 -0.630 -17.927 1.00 0.00 C ATOM 1488 C TYR A 99 4.915 -0.390 -18.091 1.00 0.00 C ATOM 1489 O TYR A 99 4.119 -1.253 -18.457 1.00 0.00 O ATOM 1490 CB TYR A 99 6.968 -0.095 -19.242 1.00 0.00 C ATOM 1491 CG TYR A 99 8.449 -0.254 -19.257 1.00 0.00 C ATOM 1492 CD1 TYR A 99 9.317 0.372 -18.393 1.00 0.00 C ATOM 1493 CD2 TYR A 99 9.005 -1.078 -20.207 1.00 0.00 C ATOM 1494 CE1 TYR A 99 10.656 0.079 -18.503 1.00 0.00 C ATOM 1495 CE2 TYR A 99 10.341 -1.386 -20.310 1.00 0.00 C ATOM 1496 CZ TYR A 99 11.191 -0.837 -19.379 1.00 0.00 C ATOM 1497 OH TYR A 99 12.526 -1.286 -19.306 1.00 0.00 O ATOM 0 H TYR A 99 5.941 -2.600 -18.201 1.00 0.00 H new ATOM 0 HA TYR A 99 6.848 -0.133 -17.079 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.532 -0.628 -20.086 1.00 0.00 H new ATOM 0 HB3 TYR A 99 6.709 0.957 -19.361 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.958 1.071 -17.652 1.00 0.00 H new ATOM 0 HD2 TYR A 99 8.337 -1.520 -20.932 1.00 0.00 H new ATOM 0 HE1 TYR A 99 11.338 0.607 -17.853 1.00 0.00 H new ATOM 0 HE2 TYR A 99 10.709 -2.034 -21.092 1.00 0.00 H new ATOM 0 HH TYR A 99 12.693 -1.934 -20.022 1.00 0.00 H new ATOM 1507 N ILE A 100 4.411 0.815 -17.769 1.00 0.00 N ATOM 1508 CA ILE A 100 3.088 1.326 -17.952 1.00 0.00 C ATOM 1509 C ILE A 100 3.199 2.475 -18.894 1.00 0.00 C ATOM 1510 O ILE A 100 4.023 3.379 -18.764 1.00 0.00 O ATOM 1511 CB ILE A 100 2.522 1.963 -16.718 1.00 0.00 C ATOM 1512 CG1 ILE A 100 2.281 0.921 -15.614 1.00 0.00 C ATOM 1513 CG2 ILE A 100 1.225 2.756 -16.956 1.00 0.00 C ATOM 1514 CD1 ILE A 100 2.121 1.466 -14.195 1.00 0.00 C ATOM 0 H ILE A 100 5.008 1.513 -17.326 1.00 0.00 H new ATOM 0 HA ILE A 100 2.467 0.489 -18.270 1.00 0.00 H new ATOM 0 HB ILE A 100 3.281 2.679 -16.402 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.384 0.355 -15.867 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.114 0.218 -15.619 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.882 3.184 -16.014 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.414 3.557 -17.671 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.459 2.090 -17.352 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.956 0.639 -13.504 1.00 0.00 H new ATOM 0 HD12 ILE A 100 3.024 2.004 -13.908 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.268 2.144 -14.160 1.00 0.00 H new ATOM 1526 N SER A 101 2.383 2.450 -19.963 1.00 0.00 N ATOM 1527 CA SER A 101 2.191 3.562 -20.841 1.00 0.00 C ATOM 1528 C SER A 101 0.881 4.201 -20.532 1.00 0.00 C ATOM 1529 O SER A 101 0.139 3.596 -19.761 1.00 0.00 O ATOM 1530 CB SER A 101 2.244 3.033 -22.284 1.00 0.00 C ATOM 1531 OG SER A 101 1.089 2.308 -22.680 1.00 0.00 O ATOM 0 H SER A 101 1.839 1.628 -20.225 1.00 0.00 H new ATOM 0 HA SER A 101 2.966 4.318 -20.714 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.382 3.875 -22.963 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.118 2.390 -22.392 1.00 0.00 H new ATOM 0 HG SER A 101 1.194 2.006 -23.606 1.00 0.00 H new ATOM 1537 N ALA A 102 0.619 5.379 -21.126 1.00 0.00 N ATOM 1538 CA ALA A 102 -0.650 6.024 -20.985 1.00 0.00 C ATOM 1539 C ALA A 102 -1.814 5.146 -21.291 1.00 0.00 C ATOM 1540 O ALA A 102 -2.791 5.179 -20.544 1.00 0.00 O ATOM 1541 CB ALA A 102 -0.760 7.392 -21.680 1.00 0.00 C ATOM 0 H ALA A 102 1.288 5.886 -21.706 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.698 6.237 -19.917 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -1.756 7.803 -21.518 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.015 8.072 -21.266 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -0.587 7.272 -22.749 1.00 0.00 H new ATOM 1547 N ALA A 103 -1.797 4.443 -22.438 1.00 0.00 N ATOM 1548 CA ALA A 103 -2.805 3.503 -22.821 1.00 0.00 C ATOM 1549 C ALA A 103 -3.186 2.359 -21.946 1.00 0.00 C ATOM 1550 O ALA A 103 -4.363 2.037 -21.794 1.00 0.00 O ATOM 1551 CB ALA A 103 -2.573 2.980 -24.248 1.00 0.00 C ATOM 0 H ALA A 103 -1.050 4.533 -23.127 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.672 4.155 -22.715 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.357 2.268 -24.507 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.595 3.814 -24.949 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.603 2.486 -24.301 1.00 0.00 H new ATOM 1557 N GLU A 104 -2.252 1.781 -21.170 1.00 0.00 N ATOM 1558 CA GLU A 104 -2.517 0.853 -20.115 1.00 0.00 C ATOM 1559 C GLU A 104 -3.168 1.494 -18.937 1.00 0.00 C ATOM 1560 O GLU A 104 -4.085 0.913 -18.358 1.00 0.00 O ATOM 1561 CB GLU A 104 -1.218 0.106 -19.770 1.00 0.00 C ATOM 1562 CG GLU A 104 -0.521 -0.515 -20.982 1.00 0.00 C ATOM 1563 CD GLU A 104 0.783 -1.209 -20.616 1.00 0.00 C ATOM 1564 OE1 GLU A 104 0.728 -2.303 -19.993 1.00 0.00 O ATOM 1565 OE2 GLU A 104 1.919 -0.772 -20.942 1.00 0.00 O ATOM 0 H GLU A 104 -1.257 1.972 -21.286 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.249 0.121 -20.456 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.531 0.798 -19.283 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -1.443 -0.681 -19.050 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.191 -1.234 -21.453 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.320 0.263 -21.719 1.00 0.00 H new ATOM 1572 N LEU A 105 -2.647 2.669 -18.541 1.00 0.00 N ATOM 1573 CA LEU A 105 -3.220 3.522 -17.546 1.00 0.00 C ATOM 1574 C LEU A 105 -4.617 3.887 -17.913 1.00 0.00 C ATOM 1575 O LEU A 105 -5.534 3.703 -17.114 1.00 0.00 O ATOM 1576 CB LEU A 105 -2.331 4.744 -17.262 1.00 0.00 C ATOM 1577 CG LEU A 105 -2.511 5.412 -15.889 1.00 0.00 C ATOM 1578 CD1 LEU A 105 -1.258 6.247 -15.574 1.00 0.00 C ATOM 1579 CD2 LEU A 105 -3.711 6.356 -15.700 1.00 0.00 C ATOM 0 H LEU A 105 -1.783 3.043 -18.934 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.271 2.972 -16.606 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.289 4.440 -17.361 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.519 5.491 -18.033 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.689 4.565 -15.226 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.375 6.726 -14.602 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.383 5.597 -15.556 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.127 7.010 -16.341 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.707 6.751 -14.684 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.641 7.180 -16.410 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.637 5.807 -15.872 1.00 0.00 H new ATOM 1591 N ARG A 106 -4.908 4.222 -19.182 1.00 0.00 N ATOM 1592 CA ARG A 106 -6.212 4.664 -19.568 1.00 0.00 C ATOM 1593 C ARG A 106 -7.153 3.518 -19.710 1.00 0.00 C ATOM 1594 O ARG A 106 -8.275 3.529 -19.206 1.00 0.00 O ATOM 1595 CB ARG A 106 -6.083 5.337 -20.946 1.00 0.00 C ATOM 1596 CG ARG A 106 -7.320 6.124 -21.385 1.00 0.00 C ATOM 1597 CD ARG A 106 -6.832 6.976 -22.558 1.00 0.00 C ATOM 1598 NE ARG A 106 -8.063 7.701 -22.983 1.00 0.00 N ATOM 1599 CZ ARG A 106 -7.996 8.786 -23.808 1.00 0.00 C ATOM 1600 NH1 ARG A 106 -6.785 9.166 -24.310 1.00 0.00 N ATOM 1601 NH2 ARG A 106 -9.077 9.511 -24.221 1.00 0.00 N ATOM 0 H ARG A 106 -4.234 4.186 -19.947 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.597 5.342 -18.806 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.226 6.011 -20.929 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -5.871 4.571 -21.692 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.128 5.458 -21.687 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.704 6.745 -20.576 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -6.043 7.664 -22.256 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -6.428 6.361 -23.362 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.973 7.380 -22.651 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.945 8.641 -24.067 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -6.720 9.975 -24.928 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.014 9.252 -23.911 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -8.948 10.312 -24.840 1.00 0.00 H new ATOM 1615 N HIS A 107 -6.795 2.428 -20.412 1.00 0.00 N ATOM 1616 CA HIS A 107 -7.550 1.213 -20.379 1.00 0.00 C ATOM 1617 C HIS A 107 -7.926 0.625 -19.062 1.00 0.00 C ATOM 1618 O HIS A 107 -9.075 0.235 -18.862 1.00 0.00 O ATOM 1619 CB HIS A 107 -6.732 0.125 -21.094 1.00 0.00 C ATOM 1620 CG HIS A 107 -7.472 -1.179 -21.076 1.00 0.00 C ATOM 1621 ND1 HIS A 107 -8.566 -1.514 -21.847 1.00 0.00 N ATOM 1622 CD2 HIS A 107 -7.166 -2.276 -20.332 1.00 0.00 C ATOM 1623 CE1 HIS A 107 -8.836 -2.818 -21.569 1.00 0.00 C ATOM 1624 NE2 HIS A 107 -7.993 -3.322 -20.687 1.00 0.00 N ATOM 0 H HIS A 107 -5.970 2.389 -21.011 1.00 0.00 H new ATOM 0 HA HIS A 107 -8.492 1.508 -20.841 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -6.536 0.425 -22.123 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.764 0.008 -20.606 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -6.394 -2.321 -19.578 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -9.645 -3.375 -22.017 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -7.960 -4.281 -20.341 1.00 0.00 H new ATOM 1632 N VAL A 108 -7.110 0.551 -17.996 1.00 0.00 N ATOM 1633 CA VAL A 108 -7.463 -0.035 -16.740 1.00 0.00 C ATOM 1634 C VAL A 108 -8.310 0.882 -15.927 1.00 0.00 C ATOM 1635 O VAL A 108 -9.157 0.564 -15.094 1.00 0.00 O ATOM 1636 CB VAL A 108 -6.186 -0.261 -15.986 1.00 0.00 C ATOM 1637 CG1 VAL A 108 -6.336 -0.662 -14.508 1.00 0.00 C ATOM 1638 CG2 VAL A 108 -5.539 -1.463 -16.694 1.00 0.00 C ATOM 0 H VAL A 108 -6.158 0.917 -18.010 1.00 0.00 H new ATOM 0 HA VAL A 108 -8.020 -0.955 -16.919 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.631 0.677 -15.983 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.349 -0.798 -14.066 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.869 0.122 -13.971 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.896 -1.594 -14.439 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.593 -1.705 -16.210 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.207 -2.323 -16.635 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.358 -1.215 -17.740 1.00 0.00 H new ATOM 1648 N MET A 109 -8.171 2.191 -16.202 1.00 0.00 N ATOM 1649 CA MET A 109 -9.048 3.189 -15.672 1.00 0.00 C ATOM 1650 C MET A 109 -10.414 3.234 -16.266 1.00 0.00 C ATOM 1651 O MET A 109 -11.369 3.624 -15.597 1.00 0.00 O ATOM 1652 CB MET A 109 -8.374 4.565 -15.800 1.00 0.00 C ATOM 1653 CG MET A 109 -7.431 4.791 -14.617 1.00 0.00 C ATOM 1654 SD MET A 109 -8.282 4.965 -13.019 1.00 0.00 S ATOM 1655 CE MET A 109 -7.933 6.745 -12.935 1.00 0.00 C ATOM 0 H MET A 109 -7.436 2.564 -16.803 1.00 0.00 H new ATOM 0 HA MET A 109 -9.213 2.911 -14.631 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.818 4.623 -16.736 1.00 0.00 H new ATOM 0 HB3 MET A 109 -9.130 5.349 -15.829 1.00 0.00 H new ATOM 0 HG2 MET A 109 -6.733 3.956 -14.557 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.840 5.688 -14.802 1.00 0.00 H new ATOM 0 HE1 MET A 109 -8.636 7.222 -12.252 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.916 6.900 -12.575 1.00 0.00 H new ATOM 0 HE3 MET A 109 -8.037 7.183 -13.928 1.00 0.00 H new ATOM 1665 N THR A 110 -10.547 2.817 -17.538 1.00 0.00 N ATOM 1666 CA THR A 110 -11.836 2.515 -18.078 1.00 0.00 C ATOM 1667 C THR A 110 -12.326 1.155 -17.716 1.00 0.00 C ATOM 1668 O THR A 110 -13.548 1.067 -17.606 1.00 0.00 O ATOM 1669 CB THR A 110 -11.884 2.701 -19.565 1.00 0.00 C ATOM 1670 OG1 THR A 110 -10.856 2.079 -20.321 1.00 0.00 O ATOM 1671 CG2 THR A 110 -11.624 4.204 -19.765 1.00 0.00 C ATOM 0 H THR A 110 -9.770 2.690 -18.187 1.00 0.00 H new ATOM 0 HA THR A 110 -12.511 3.235 -17.615 1.00 0.00 H new ATOM 0 HB THR A 110 -12.830 2.277 -19.902 1.00 0.00 H new ATOM 0 HG1 THR A 110 -10.349 1.469 -19.745 1.00 0.00 H new ATOM 0 HG21 THR A 110 -11.640 4.438 -20.830 1.00 0.00 H new ATOM 0 HG22 THR A 110 -12.398 4.778 -19.256 1.00 0.00 H new ATOM 0 HG23 THR A 110 -10.649 4.463 -19.352 1.00 0.00 H new ATOM 1679 N ASN A 111 -11.486 0.205 -17.267 1.00 0.00 N ATOM 1680 CA ASN A 111 -11.891 -0.966 -16.553 1.00 0.00 C ATOM 1681 C ASN A 111 -12.542 -0.672 -15.246 1.00 0.00 C ATOM 1682 O ASN A 111 -13.491 -1.387 -14.925 1.00 0.00 O ATOM 1683 CB ASN A 111 -10.705 -1.912 -16.298 1.00 0.00 C ATOM 1684 CG ASN A 111 -11.121 -3.342 -15.985 1.00 0.00 C ATOM 1685 OD1 ASN A 111 -12.072 -3.957 -16.466 1.00 0.00 O ATOM 1686 ND2 ASN A 111 -10.236 -3.946 -15.148 1.00 0.00 N ATOM 0 H ASN A 111 -10.477 0.256 -17.409 1.00 0.00 H new ATOM 0 HA ASN A 111 -12.626 -1.444 -17.201 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -10.058 -1.915 -17.175 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.114 -1.525 -15.468 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -10.353 -4.930 -14.906 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -9.455 -3.415 -14.762 1.00 0.00 H new ATOM 1693 N LEU A 112 -12.035 0.284 -14.447 1.00 0.00 N ATOM 1694 CA LEU A 112 -12.687 0.831 -13.298 1.00 0.00 C ATOM 1695 C LEU A 112 -13.874 1.660 -13.649 1.00 0.00 C ATOM 1696 O LEU A 112 -14.835 1.626 -12.882 1.00 0.00 O ATOM 1697 CB LEU A 112 -11.688 1.736 -12.558 1.00 0.00 C ATOM 1698 CG LEU A 112 -10.469 0.908 -12.118 1.00 0.00 C ATOM 1699 CD1 LEU A 112 -9.352 1.815 -11.574 1.00 0.00 C ATOM 1700 CD2 LEU A 112 -10.903 0.025 -10.936 1.00 0.00 C ATOM 0 H LEU A 112 -11.118 0.698 -14.613 1.00 0.00 H new ATOM 0 HA LEU A 112 -13.026 -0.005 -12.686 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.371 2.552 -13.208 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -12.166 2.188 -11.689 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.111 0.339 -12.976 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.502 1.204 -11.270 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.038 2.512 -12.351 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.723 2.373 -10.714 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -10.057 -0.576 -10.601 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -11.247 0.657 -10.117 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -11.713 -0.633 -11.251 1.00 0.00 H new ATOM 1712 N GLY A 113 -13.866 2.331 -14.815 1.00 0.00 N ATOM 1713 CA GLY A 113 -14.990 3.007 -15.384 1.00 0.00 C ATOM 1714 C GLY A 113 -14.880 4.483 -15.206 1.00 0.00 C ATOM 1715 O GLY A 113 -15.891 5.178 -15.279 1.00 0.00 O ATOM 0 H GLY A 113 -13.028 2.405 -15.392 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -15.060 2.771 -16.446 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -15.907 2.649 -14.916 1.00 0.00 H new ATOM 1719 N GLU A 114 -13.688 5.039 -14.927 1.00 0.00 N ATOM 1720 CA GLU A 114 -13.454 6.448 -14.849 1.00 0.00 C ATOM 1721 C GLU A 114 -13.537 7.052 -16.208 1.00 0.00 C ATOM 1722 O GLU A 114 -13.166 6.485 -17.234 1.00 0.00 O ATOM 1723 CB GLU A 114 -12.057 6.639 -14.235 1.00 0.00 C ATOM 1724 CG GLU A 114 -12.049 6.308 -12.741 1.00 0.00 C ATOM 1725 CD GLU A 114 -13.114 7.067 -11.962 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -13.044 8.325 -11.955 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -14.046 6.470 -11.362 1.00 0.00 O ATOM 0 H GLU A 114 -12.852 4.483 -14.748 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.203 6.943 -14.232 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -11.341 6.002 -14.753 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -11.732 7.669 -14.382 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -12.204 5.237 -12.610 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -11.068 6.541 -12.327 1.00 0.00 H new ATOM 1734 N LYS A 115 -14.082 8.278 -16.309 1.00 0.00 N ATOM 1735 CA LYS A 115 -14.300 8.936 -17.560 1.00 0.00 C ATOM 1736 C LYS A 115 -13.086 9.781 -17.746 1.00 0.00 C ATOM 1737 O LYS A 115 -13.093 11.009 -17.679 1.00 0.00 O ATOM 1738 CB LYS A 115 -15.610 9.741 -17.517 1.00 0.00 C ATOM 1739 CG LYS A 115 -16.145 10.015 -18.924 1.00 0.00 C ATOM 1740 CD LYS A 115 -16.905 11.325 -19.137 1.00 0.00 C ATOM 1741 CE LYS A 115 -16.088 12.536 -18.680 1.00 0.00 C ATOM 1742 NZ LYS A 115 -16.924 13.744 -18.860 1.00 0.00 N ATOM 0 H LYS A 115 -14.378 8.825 -15.501 1.00 0.00 H new ATOM 0 HA LYS A 115 -14.425 8.254 -18.401 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -16.357 9.193 -16.943 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -15.441 10.686 -17.000 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -15.303 9.996 -19.616 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -16.804 9.192 -19.202 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -17.155 11.433 -20.192 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -17.846 11.293 -18.588 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -15.796 12.427 -17.636 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.170 12.618 -19.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -16.391 14.584 -18.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -17.181 13.842 -19.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -17.788 13.657 -18.288 1.00 0.00 H new ATOM 1756 N LEU A 116 -11.975 9.052 -17.950 1.00 0.00 N ATOM 1757 CA LEU A 116 -10.657 9.606 -17.928 1.00 0.00 C ATOM 1758 C LEU A 116 -10.345 10.099 -19.299 1.00 0.00 C ATOM 1759 O LEU A 116 -10.214 9.344 -20.261 1.00 0.00 O ATOM 1760 CB LEU A 116 -9.624 8.522 -17.574 1.00 0.00 C ATOM 1761 CG LEU A 116 -8.222 9.072 -17.262 1.00 0.00 C ATOM 1762 CD1 LEU A 116 -8.256 9.639 -15.833 1.00 0.00 C ATOM 1763 CD2 LEU A 116 -7.236 7.900 -17.114 1.00 0.00 C ATOM 0 H LEU A 116 -11.993 8.049 -18.135 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.614 10.405 -17.188 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -9.983 7.960 -16.712 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.551 7.819 -18.404 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.945 9.783 -18.041 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -7.275 10.039 -15.577 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.999 10.435 -15.775 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.518 8.846 -15.133 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -6.241 8.287 -16.893 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.562 7.251 -16.301 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.205 7.331 -18.043 1.00 0.00 H new ATOM 1775 N THR A 117 -10.121 11.418 -19.434 1.00 0.00 N ATOM 1776 CA THR A 117 -9.904 11.966 -20.737 1.00 0.00 C ATOM 1777 C THR A 117 -8.454 11.999 -21.081 1.00 0.00 C ATOM 1778 O THR A 117 -7.579 11.527 -20.357 1.00 0.00 O ATOM 1779 CB THR A 117 -10.469 13.346 -20.894 1.00 0.00 C ATOM 1780 OG1 THR A 117 -9.945 14.278 -19.959 1.00 0.00 O ATOM 1781 CG2 THR A 117 -11.953 13.209 -20.515 1.00 0.00 C ATOM 0 H THR A 117 -10.090 12.089 -18.666 1.00 0.00 H new ATOM 0 HA THR A 117 -10.432 11.301 -21.421 1.00 0.00 H new ATOM 0 HB THR A 117 -10.250 13.699 -21.902 1.00 0.00 H new ATOM 0 HG1 THR A 117 -10.195 14.006 -19.051 1.00 0.00 H new ATOM 0 HG21 THR A 117 -12.442 14.179 -20.604 1.00 0.00 H new ATOM 0 HG22 THR A 117 -12.435 12.497 -21.185 1.00 0.00 H new ATOM 0 HG23 THR A 117 -12.035 12.854 -19.488 1.00 0.00 H new ATOM 1789 N ASP A 118 -8.056 12.488 -22.269 1.00 0.00 N ATOM 1790 CA ASP A 118 -6.724 12.576 -22.782 1.00 0.00 C ATOM 1791 C ASP A 118 -5.804 13.457 -22.009 1.00 0.00 C ATOM 1792 O ASP A 118 -4.651 13.180 -21.682 1.00 0.00 O ATOM 1793 CB ASP A 118 -6.801 13.127 -24.215 1.00 0.00 C ATOM 1794 CG ASP A 118 -7.465 12.200 -25.223 1.00 0.00 C ATOM 1795 OD1 ASP A 118 -8.691 11.989 -25.425 1.00 0.00 O ATOM 1796 OD2 ASP A 118 -6.637 11.435 -25.785 1.00 0.00 O ATOM 0 H ASP A 118 -8.736 12.857 -22.934 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.311 11.569 -22.720 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -7.346 14.071 -24.197 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -5.791 13.349 -24.558 1.00 0.00 H new ATOM 1801 N GLU A 119 -6.305 14.622 -21.560 1.00 0.00 N ATOM 1802 CA GLU A 119 -5.542 15.447 -20.676 1.00 0.00 C ATOM 1803 C GLU A 119 -5.268 14.992 -19.284 1.00 0.00 C ATOM 1804 O GLU A 119 -4.253 15.293 -18.658 1.00 0.00 O ATOM 1805 CB GLU A 119 -6.051 16.896 -20.599 1.00 0.00 C ATOM 1806 CG GLU A 119 -7.472 16.962 -20.035 1.00 0.00 C ATOM 1807 CD GLU A 119 -8.094 18.350 -19.978 1.00 0.00 C ATOM 1808 OE1 GLU A 119 -7.573 19.142 -19.148 1.00 0.00 O ATOM 1809 OE2 GLU A 119 -9.092 18.683 -20.671 1.00 0.00 O ATOM 0 H GLU A 119 -7.225 14.989 -21.805 1.00 0.00 H new ATOM 0 HA GLU A 119 -4.585 15.363 -21.191 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -5.382 17.485 -19.972 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -6.032 17.343 -21.593 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -8.114 16.321 -20.639 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -7.463 16.546 -19.028 1.00 0.00 H new ATOM 1816 N GLU A 120 -6.179 14.221 -18.664 1.00 0.00 N ATOM 1817 CA GLU A 120 -6.127 13.578 -17.387 1.00 0.00 C ATOM 1818 C GLU A 120 -5.172 12.436 -17.443 1.00 0.00 C ATOM 1819 O GLU A 120 -4.404 12.219 -16.507 1.00 0.00 O ATOM 1820 CB GLU A 120 -7.493 13.001 -16.980 1.00 0.00 C ATOM 1821 CG GLU A 120 -8.468 14.130 -16.641 1.00 0.00 C ATOM 1822 CD GLU A 120 -9.902 13.645 -16.481 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -10.602 13.311 -17.474 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -10.407 13.596 -15.328 1.00 0.00 O ATOM 0 H GLU A 120 -7.068 14.026 -19.123 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.818 14.332 -16.663 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -7.896 12.395 -17.792 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -7.375 12.343 -16.119 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -8.148 14.615 -15.718 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.430 14.884 -17.427 1.00 0.00 H new ATOM 1831 N VAL A 121 -5.157 11.552 -18.456 1.00 0.00 N ATOM 1832 CA VAL A 121 -4.165 10.531 -18.596 1.00 0.00 C ATOM 1833 C VAL A 121 -2.760 11.018 -18.686 1.00 0.00 C ATOM 1834 O VAL A 121 -1.828 10.421 -18.151 1.00 0.00 O ATOM 1835 CB VAL A 121 -4.555 9.508 -19.621 1.00 0.00 C ATOM 1836 CG1 VAL A 121 -4.167 9.918 -21.051 1.00 0.00 C ATOM 1837 CG2 VAL A 121 -3.954 8.117 -19.358 1.00 0.00 C ATOM 0 H VAL A 121 -5.855 11.547 -19.200 1.00 0.00 H new ATOM 0 HA VAL A 121 -4.150 10.002 -17.643 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.640 9.455 -19.530 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.474 9.139 -21.749 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -4.664 10.853 -21.309 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -3.087 10.053 -21.110 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -4.278 7.427 -20.138 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -2.866 8.184 -19.362 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.292 7.752 -18.388 1.00 0.00 H new ATOM 1847 N ASP A 122 -2.624 12.203 -19.309 1.00 0.00 N ATOM 1848 CA ASP A 122 -1.358 12.859 -19.411 1.00 0.00 C ATOM 1849 C ASP A 122 -0.885 13.392 -18.102 1.00 0.00 C ATOM 1850 O ASP A 122 0.298 13.365 -17.768 1.00 0.00 O ATOM 1851 CB ASP A 122 -1.465 13.939 -20.500 1.00 0.00 C ATOM 1852 CG ASP A 122 -0.241 14.779 -20.836 1.00 0.00 C ATOM 1853 OD1 ASP A 122 0.843 14.255 -21.208 1.00 0.00 O ATOM 1854 OD2 ASP A 122 -0.364 16.019 -20.653 1.00 0.00 O ATOM 0 H ASP A 122 -3.396 12.709 -19.744 1.00 0.00 H new ATOM 0 HA ASP A 122 -0.593 12.138 -19.700 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -1.788 13.448 -21.418 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.262 14.623 -20.207 1.00 0.00 H new ATOM 1859 N GLU A 123 -1.774 13.894 -17.227 1.00 0.00 N ATOM 1860 CA GLU A 123 -1.401 14.288 -15.904 1.00 0.00 C ATOM 1861 C GLU A 123 -1.060 13.198 -14.947 1.00 0.00 C ATOM 1862 O GLU A 123 -0.275 13.433 -14.030 1.00 0.00 O ATOM 1863 CB GLU A 123 -2.581 15.062 -15.293 1.00 0.00 C ATOM 1864 CG GLU A 123 -2.257 15.807 -13.996 1.00 0.00 C ATOM 1865 CD GLU A 123 -1.547 17.124 -14.272 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -2.114 17.998 -14.981 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -0.367 17.285 -13.859 1.00 0.00 O ATOM 0 H GLU A 123 -2.763 14.028 -17.439 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.486 14.865 -16.035 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -2.945 15.781 -16.027 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -3.395 14.363 -15.100 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -3.178 15.997 -13.445 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -1.630 15.180 -13.362 1.00 0.00 H new ATOM 1874 N MET A 124 -1.669 12.009 -15.106 1.00 0.00 N ATOM 1875 CA MET A 124 -1.371 10.799 -14.404 1.00 0.00 C ATOM 1876 C MET A 124 -0.084 10.158 -14.795 1.00 0.00 C ATOM 1877 O MET A 124 0.549 9.507 -13.965 1.00 0.00 O ATOM 1878 CB MET A 124 -2.528 9.792 -14.508 1.00 0.00 C ATOM 1879 CG MET A 124 -3.775 10.333 -13.805 1.00 0.00 C ATOM 1880 SD MET A 124 -5.086 9.098 -13.555 1.00 0.00 S ATOM 1881 CE MET A 124 -6.266 10.234 -12.771 1.00 0.00 C ATOM 0 H MET A 124 -2.427 11.886 -15.777 1.00 0.00 H new ATOM 0 HA MET A 124 -1.248 11.102 -13.364 1.00 0.00 H new ATOM 0 HB2 MET A 124 -2.752 9.593 -15.556 1.00 0.00 H new ATOM 0 HB3 MET A 124 -2.233 8.843 -14.060 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.485 10.739 -12.836 1.00 0.00 H new ATOM 0 HG3 MET A 124 -4.178 11.160 -14.390 1.00 0.00 H new ATOM 0 HE1 MET A 124 -7.178 9.693 -12.518 1.00 0.00 H new ATOM 0 HE2 MET A 124 -5.825 10.647 -11.864 1.00 0.00 H new ATOM 0 HE3 MET A 124 -6.504 11.044 -13.460 1.00 0.00 H new ATOM 1891 N ILE A 125 0.410 10.346 -16.032 1.00 0.00 N ATOM 1892 CA ILE A 125 1.720 10.017 -16.501 1.00 0.00 C ATOM 1893 C ILE A 125 2.804 10.933 -16.047 1.00 0.00 C ATOM 1894 O ILE A 125 3.886 10.409 -15.788 1.00 0.00 O ATOM 1895 CB ILE A 125 1.706 9.835 -17.990 1.00 0.00 C ATOM 1896 CG1 ILE A 125 2.302 8.507 -18.485 1.00 0.00 C ATOM 1897 CG2 ILE A 125 2.391 10.960 -18.784 1.00 0.00 C ATOM 1898 CD1 ILE A 125 1.395 7.378 -17.998 1.00 0.00 C ATOM 0 H ILE A 125 -0.159 10.765 -16.767 1.00 0.00 H new ATOM 0 HA ILE A 125 1.979 9.069 -16.030 1.00 0.00 H new ATOM 0 HB ILE A 125 0.634 9.849 -18.186 1.00 0.00 H new ATOM 0 HG12 ILE A 125 2.370 8.501 -19.573 1.00 0.00 H new ATOM 0 HG13 ILE A 125 3.314 8.376 -18.102 1.00 0.00 H new ATOM 0 HG21 ILE A 125 2.331 10.741 -19.850 1.00 0.00 H new ATOM 0 HG22 ILE A 125 1.891 11.907 -18.579 1.00 0.00 H new ATOM 0 HG23 ILE A 125 3.437 11.030 -18.486 1.00 0.00 H new ATOM 0 HD11 ILE A 125 1.793 6.421 -18.335 1.00 0.00 H new ATOM 0 HD12 ILE A 125 1.352 7.390 -16.909 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.392 7.517 -18.403 1.00 0.00 H new ATOM 1910 N ARG A 126 2.607 12.261 -15.967 1.00 0.00 N ATOM 1911 CA ARG A 126 3.387 13.346 -15.457 1.00 0.00 C ATOM 1912 C ARG A 126 3.703 13.203 -14.008 1.00 0.00 C ATOM 1913 O ARG A 126 4.891 13.380 -13.743 1.00 0.00 O ATOM 1914 CB ARG A 126 2.590 14.618 -15.790 1.00 0.00 C ATOM 1915 CG ARG A 126 3.362 15.904 -15.486 1.00 0.00 C ATOM 1916 CD ARG A 126 2.969 17.173 -16.245 1.00 0.00 C ATOM 1917 NE ARG A 126 1.481 17.218 -16.212 1.00 0.00 N ATOM 1918 CZ ARG A 126 0.669 17.319 -17.305 1.00 0.00 C ATOM 1919 NH1 ARG A 126 0.999 16.836 -18.538 1.00 0.00 N ATOM 1920 NH2 ARG A 126 -0.610 17.773 -17.159 1.00 0.00 N ATOM 0 H ARG A 126 1.731 12.633 -16.333 1.00 0.00 H new ATOM 0 HA ARG A 126 4.373 13.378 -15.920 1.00 0.00 H new ATOM 0 HB2 ARG A 126 2.319 14.604 -16.846 1.00 0.00 H new ATOM 0 HB3 ARG A 126 1.660 14.616 -15.222 1.00 0.00 H new ATOM 0 HG2 ARG A 126 3.264 16.108 -14.420 1.00 0.00 H new ATOM 0 HG3 ARG A 126 4.418 15.713 -15.678 1.00 0.00 H new ATOM 0 HD2 ARG A 126 3.398 18.058 -15.776 1.00 0.00 H new ATOM 0 HD3 ARG A 126 3.337 17.146 -17.271 1.00 0.00 H new ATOM 0 HE ARG A 126 1.031 17.169 -15.298 1.00 0.00 H new ATOM 0 HH11 ARG A 126 1.895 16.369 -18.680 1.00 0.00 H new ATOM 0 HH12 ARG A 126 0.350 16.942 -19.318 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -0.956 18.035 -16.236 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -1.220 17.850 -17.973 1.00 0.00 H new ATOM 1934 N GLU A 127 2.827 12.752 -13.092 1.00 0.00 N ATOM 1935 CA GLU A 127 3.231 12.583 -11.731 1.00 0.00 C ATOM 1936 C GLU A 127 3.905 11.265 -11.563 1.00 0.00 C ATOM 1937 O GLU A 127 4.735 11.165 -10.660 1.00 0.00 O ATOM 1938 CB GLU A 127 2.085 12.749 -10.719 1.00 0.00 C ATOM 1939 CG GLU A 127 0.899 11.818 -10.980 1.00 0.00 C ATOM 1940 CD GLU A 127 -0.196 12.074 -9.955 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -0.257 13.049 -9.159 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -1.059 11.159 -9.888 1.00 0.00 O ATOM 0 H GLU A 127 1.856 12.508 -13.288 1.00 0.00 H new ATOM 0 HA GLU A 127 3.933 13.387 -11.510 1.00 0.00 H new ATOM 0 HB2 GLU A 127 2.468 12.564 -9.715 1.00 0.00 H new ATOM 0 HB3 GLU A 127 1.738 13.782 -10.742 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.512 11.981 -11.986 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.223 10.779 -10.927 1.00 0.00 H new ATOM 1949 N ALA A 128 3.626 10.219 -12.361 1.00 0.00 N ATOM 1950 CA ALA A 128 4.217 8.922 -12.246 1.00 0.00 C ATOM 1951 C ALA A 128 5.603 8.797 -12.779 1.00 0.00 C ATOM 1952 O ALA A 128 6.440 8.400 -11.970 1.00 0.00 O ATOM 1953 CB ALA A 128 3.173 8.047 -12.959 1.00 0.00 C ATOM 0 H ALA A 128 2.954 10.282 -13.125 1.00 0.00 H new ATOM 0 HA ALA A 128 4.403 8.631 -11.212 1.00 0.00 H new ATOM 0 HB1 ALA A 128 3.500 7.007 -12.947 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.215 8.132 -12.445 1.00 0.00 H new ATOM 0 HB3 ALA A 128 3.062 8.381 -13.991 1.00 0.00 H new ATOM 1959 N ASP A 129 5.869 9.091 -14.064 1.00 0.00 N ATOM 1960 CA ASP A 129 7.153 9.119 -14.693 1.00 0.00 C ATOM 1961 C ASP A 129 8.096 10.044 -14.002 1.00 0.00 C ATOM 1962 O ASP A 129 7.726 11.167 -13.665 1.00 0.00 O ATOM 1963 CB ASP A 129 7.035 9.403 -16.200 1.00 0.00 C ATOM 1964 CG ASP A 129 8.433 9.396 -16.803 1.00 0.00 C ATOM 1965 OD1 ASP A 129 9.276 8.489 -16.573 1.00 0.00 O ATOM 1966 OD2 ASP A 129 8.685 10.409 -17.509 1.00 0.00 O ATOM 0 H ASP A 129 5.122 9.329 -14.716 1.00 0.00 H new ATOM 0 HA ASP A 129 7.586 8.124 -14.596 1.00 0.00 H new ATOM 0 HB2 ASP A 129 6.411 8.649 -16.680 1.00 0.00 H new ATOM 0 HB3 ASP A 129 6.555 10.367 -16.367 1.00 0.00 H new ATOM 1971 N ILE A 130 9.369 9.660 -13.799 1.00 0.00 N ATOM 1972 CA ILE A 130 10.426 10.456 -13.258 1.00 0.00 C ATOM 1973 C ILE A 130 11.307 10.989 -14.335 1.00 0.00 C ATOM 1974 O ILE A 130 11.270 12.178 -14.648 1.00 0.00 O ATOM 1975 CB ILE A 130 11.134 9.637 -12.220 1.00 0.00 C ATOM 1976 CG1 ILE A 130 10.237 9.547 -10.974 1.00 0.00 C ATOM 1977 CG2 ILE A 130 12.507 10.253 -11.903 1.00 0.00 C ATOM 1978 CD1 ILE A 130 10.983 8.874 -9.822 1.00 0.00 C ATOM 0 H ILE A 130 9.682 8.718 -14.032 1.00 0.00 H new ATOM 0 HA ILE A 130 10.038 11.349 -12.768 1.00 0.00 H new ATOM 0 HB ILE A 130 11.319 8.628 -12.588 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.920 10.546 -10.675 1.00 0.00 H new ATOM 0 HG13 ILE A 130 9.334 8.983 -11.209 1.00 0.00 H new ATOM 0 HG21 ILE A 130 13.011 9.649 -11.148 1.00 0.00 H new ATOM 0 HG22 ILE A 130 13.112 10.280 -12.809 1.00 0.00 H new ATOM 0 HG23 ILE A 130 12.373 11.267 -11.526 1.00 0.00 H new ATOM 0 HD11 ILE A 130 10.332 8.820 -8.949 1.00 0.00 H new ATOM 0 HD12 ILE A 130 11.278 7.867 -10.118 1.00 0.00 H new ATOM 0 HD13 ILE A 130 11.872 9.455 -9.576 1.00 0.00 H new ATOM 1990 N ASP A 131 12.065 10.161 -15.075 1.00 0.00 N ATOM 1991 CA ASP A 131 13.120 10.501 -15.979 1.00 0.00 C ATOM 1992 C ASP A 131 12.858 10.954 -17.374 1.00 0.00 C ATOM 1993 O ASP A 131 13.797 11.255 -18.110 1.00 0.00 O ATOM 1994 CB ASP A 131 14.151 9.360 -15.972 1.00 0.00 C ATOM 1995 CG ASP A 131 13.501 8.009 -16.233 1.00 0.00 C ATOM 1996 OD1 ASP A 131 12.459 7.923 -16.935 1.00 0.00 O ATOM 1997 OD2 ASP A 131 14.080 6.990 -15.770 1.00 0.00 O ATOM 0 H ASP A 131 11.923 9.152 -15.034 1.00 0.00 H new ATOM 0 HA ASP A 131 13.460 11.448 -15.559 1.00 0.00 H new ATOM 0 HB2 ASP A 131 14.910 9.551 -16.731 1.00 0.00 H new ATOM 0 HB3 ASP A 131 14.662 9.338 -15.009 1.00 0.00 H new ATOM 2002 N GLY A 132 11.572 11.126 -17.727 1.00 0.00 N ATOM 2003 CA GLY A 132 11.233 11.831 -18.925 1.00 0.00 C ATOM 2004 C GLY A 132 10.921 10.938 -20.076 1.00 0.00 C ATOM 2005 O GLY A 132 10.561 11.484 -21.117 1.00 0.00 O ATOM 0 H GLY A 132 10.775 10.782 -17.191 1.00 0.00 H new ATOM 0 HA2 GLY A 132 10.372 12.471 -18.729 1.00 0.00 H new ATOM 0 HA3 GLY A 132 12.061 12.485 -19.198 1.00 0.00 H new ATOM 2009 N ASP A 133 10.982 9.599 -19.964 1.00 0.00 N ATOM 2010 CA ASP A 133 10.761 8.773 -21.111 1.00 0.00 C ATOM 2011 C ASP A 133 9.317 8.529 -21.386 1.00 0.00 C ATOM 2012 O ASP A 133 8.885 8.211 -22.493 1.00 0.00 O ATOM 2013 CB ASP A 133 11.546 7.452 -21.165 1.00 0.00 C ATOM 2014 CG ASP A 133 11.329 6.508 -19.991 1.00 0.00 C ATOM 2015 OD1 ASP A 133 10.403 6.727 -19.166 1.00 0.00 O ATOM 2016 OD2 ASP A 133 12.073 5.490 -19.976 1.00 0.00 O ATOM 0 H ASP A 133 11.180 9.096 -19.099 1.00 0.00 H new ATOM 0 HA ASP A 133 11.179 9.385 -21.910 1.00 0.00 H new ATOM 0 HB2 ASP A 133 11.278 6.929 -22.083 1.00 0.00 H new ATOM 0 HB3 ASP A 133 12.609 7.684 -21.229 1.00 0.00 H new ATOM 2021 N GLY A 134 8.447 8.852 -20.412 1.00 0.00 N ATOM 2022 CA GLY A 134 7.027 8.717 -20.510 1.00 0.00 C ATOM 2023 C GLY A 134 6.544 7.342 -20.201 1.00 0.00 C ATOM 2024 O GLY A 134 5.331 7.147 -20.147 1.00 0.00 O ATOM 0 H GLY A 134 8.749 9.226 -19.512 1.00 0.00 H new ATOM 0 HA2 GLY A 134 6.554 9.423 -19.828 1.00 0.00 H new ATOM 0 HA3 GLY A 134 6.712 8.988 -21.518 1.00 0.00 H new ATOM 2028 N GLN A 135 7.469 6.398 -19.949 1.00 0.00 N ATOM 2029 CA GLN A 135 7.056 5.125 -19.446 1.00 0.00 C ATOM 2030 C GLN A 135 7.241 5.107 -17.967 1.00 0.00 C ATOM 2031 O GLN A 135 8.327 5.457 -17.508 1.00 0.00 O ATOM 2032 CB GLN A 135 8.015 4.012 -19.902 1.00 0.00 C ATOM 2033 CG GLN A 135 7.982 3.689 -21.397 1.00 0.00 C ATOM 2034 CD GLN A 135 6.672 3.043 -21.826 1.00 0.00 C ATOM 2035 OE1 GLN A 135 6.585 1.849 -22.107 1.00 0.00 O ATOM 2036 NE2 GLN A 135 5.608 3.849 -22.087 1.00 0.00 N ATOM 0 H GLN A 135 8.473 6.509 -20.088 1.00 0.00 H new ATOM 0 HA GLN A 135 6.032 4.972 -19.786 1.00 0.00 H new ATOM 0 HB2 GLN A 135 9.031 4.298 -19.632 1.00 0.00 H new ATOM 0 HB3 GLN A 135 7.781 3.104 -19.346 1.00 0.00 H new ATOM 0 HG2 GLN A 135 8.135 4.606 -21.967 1.00 0.00 H new ATOM 0 HG3 GLN A 135 8.809 3.021 -21.639 1.00 0.00 H new ATOM 0 HE21 GLN A 135 5.654 4.843 -21.863 1.00 0.00 H new ATOM 0 HE22 GLN A 135 4.764 3.459 -22.506 1.00 0.00 H new ATOM 2045 N VAL A 136 6.221 4.623 -17.236 1.00 0.00 N ATOM 2046 CA VAL A 136 6.305 4.650 -15.809 1.00 0.00 C ATOM 2047 C VAL A 136 6.649 3.247 -15.445 1.00 0.00 C ATOM 2048 O VAL A 136 5.952 2.275 -15.733 1.00 0.00 O ATOM 2049 CB VAL A 136 4.970 4.987 -15.212 1.00 0.00 C ATOM 2050 CG1 VAL A 136 5.022 5.092 -13.679 1.00 0.00 C ATOM 2051 CG2 VAL A 136 4.450 6.305 -15.810 1.00 0.00 C ATOM 0 H VAL A 136 5.363 4.225 -17.618 1.00 0.00 H new ATOM 0 HA VAL A 136 7.024 5.388 -15.452 1.00 0.00 H new ATOM 0 HB VAL A 136 4.289 4.172 -15.457 1.00 0.00 H new ATOM 0 HG11 VAL A 136 4.031 5.338 -13.297 1.00 0.00 H new ATOM 0 HG12 VAL A 136 5.347 4.140 -13.260 1.00 0.00 H new ATOM 0 HG13 VAL A 136 5.725 5.873 -13.391 1.00 0.00 H new ATOM 0 HG21 VAL A 136 3.481 6.545 -15.373 1.00 0.00 H new ATOM 0 HG22 VAL A 136 5.155 7.107 -15.591 1.00 0.00 H new ATOM 0 HG23 VAL A 136 4.345 6.198 -16.890 1.00 0.00 H new ATOM 2061 N ASN A 137 7.885 3.074 -14.943 1.00 0.00 N ATOM 2062 CA ASN A 137 8.570 1.875 -14.571 1.00 0.00 C ATOM 2063 C ASN A 137 8.253 1.651 -13.133 1.00 0.00 C ATOM 2064 O ASN A 137 7.629 2.483 -12.477 1.00 0.00 O ATOM 2065 CB ASN A 137 10.073 2.081 -14.820 1.00 0.00 C ATOM 2066 CG ASN A 137 10.779 0.733 -14.824 1.00 0.00 C ATOM 2067 OD1 ASN A 137 10.218 -0.323 -14.536 1.00 0.00 O ATOM 2068 ND2 ASN A 137 12.046 0.731 -15.319 1.00 0.00 N ATOM 0 H ASN A 137 8.479 3.887 -14.778 1.00 0.00 H new ATOM 0 HA ASN A 137 8.266 1.002 -15.148 1.00 0.00 H new ATOM 0 HB2 ASN A 137 10.228 2.587 -15.773 1.00 0.00 H new ATOM 0 HB3 ASN A 137 10.496 2.722 -14.046 1.00 0.00 H new ATOM 0 HD21 ASN A 137 12.539 -0.151 -15.454 1.00 0.00 H new ATOM 0 HD22 ASN A 137 12.503 1.612 -15.555 1.00 0.00 H new ATOM 2075 N TYR A 138 8.553 0.439 -12.632 1.00 0.00 N ATOM 2076 CA TYR A 138 8.143 -0.032 -11.345 1.00 0.00 C ATOM 2077 C TYR A 138 8.601 0.822 -10.213 1.00 0.00 C ATOM 2078 O TYR A 138 7.854 1.225 -9.322 1.00 0.00 O ATOM 2079 CB TYR A 138 8.799 -1.421 -11.276 1.00 0.00 C ATOM 2080 CG TYR A 138 8.242 -2.266 -10.183 1.00 0.00 C ATOM 2081 CD1 TYR A 138 6.972 -2.775 -10.312 1.00 0.00 C ATOM 2082 CD2 TYR A 138 8.871 -2.223 -8.961 1.00 0.00 C ATOM 2083 CE1 TYR A 138 6.305 -3.360 -9.261 1.00 0.00 C ATOM 2084 CE2 TYR A 138 8.180 -2.800 -7.922 1.00 0.00 C ATOM 2085 CZ TYR A 138 6.926 -3.354 -8.034 1.00 0.00 C ATOM 2086 OH TYR A 138 6.330 -3.881 -6.869 1.00 0.00 O ATOM 0 H TYR A 138 9.107 -0.244 -13.148 1.00 0.00 H new ATOM 0 HA TYR A 138 7.058 -0.031 -11.244 1.00 0.00 H new ATOM 0 HB2 TYR A 138 8.662 -1.931 -12.230 1.00 0.00 H new ATOM 0 HB3 TYR A 138 9.873 -1.304 -11.128 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.481 -2.714 -11.272 1.00 0.00 H new ATOM 0 HD2 TYR A 138 9.841 -1.767 -8.827 1.00 0.00 H new ATOM 0 HE1 TYR A 138 5.331 -3.807 -9.394 1.00 0.00 H new ATOM 0 HE2 TYR A 138 8.654 -2.820 -6.952 1.00 0.00 H new ATOM 0 HH TYR A 138 6.943 -3.775 -6.112 1.00 0.00 H new ATOM 2096 N GLU A 139 9.888 1.212 -10.192 1.00 0.00 N ATOM 2097 CA GLU A 139 10.458 2.095 -9.224 1.00 0.00 C ATOM 2098 C GLU A 139 9.882 3.470 -9.231 1.00 0.00 C ATOM 2099 O GLU A 139 9.805 4.127 -8.194 1.00 0.00 O ATOM 2100 CB GLU A 139 11.966 2.111 -9.524 1.00 0.00 C ATOM 2101 CG GLU A 139 12.733 0.802 -9.334 1.00 0.00 C ATOM 2102 CD GLU A 139 12.408 -0.139 -10.486 1.00 0.00 C ATOM 2103 OE1 GLU A 139 11.969 0.397 -11.538 1.00 0.00 O ATOM 2104 OE2 GLU A 139 12.669 -1.370 -10.416 1.00 0.00 O ATOM 0 H GLU A 139 10.565 0.895 -10.886 1.00 0.00 H new ATOM 0 HA GLU A 139 10.234 1.735 -8.220 1.00 0.00 H new ATOM 0 HB2 GLU A 139 12.101 2.434 -10.556 1.00 0.00 H new ATOM 0 HB3 GLU A 139 12.428 2.868 -8.890 1.00 0.00 H new ATOM 0 HG2 GLU A 139 13.805 0.996 -9.298 1.00 0.00 H new ATOM 0 HG3 GLU A 139 12.461 0.341 -8.384 1.00 0.00 H new ATOM 2111 N GLU A 140 9.391 3.984 -10.372 1.00 0.00 N ATOM 2112 CA GLU A 140 8.698 5.230 -10.480 1.00 0.00 C ATOM 2113 C GLU A 140 7.342 5.209 -9.864 1.00 0.00 C ATOM 2114 O GLU A 140 7.011 6.167 -9.167 1.00 0.00 O ATOM 2115 CB GLU A 140 8.768 5.647 -11.959 1.00 0.00 C ATOM 2116 CG GLU A 140 10.174 5.585 -12.558 1.00 0.00 C ATOM 2117 CD GLU A 140 10.172 6.136 -13.976 1.00 0.00 C ATOM 2118 OE1 GLU A 140 9.447 5.602 -14.857 1.00 0.00 O ATOM 2119 OE2 GLU A 140 10.978 7.034 -14.342 1.00 0.00 O ATOM 0 H GLU A 140 9.483 3.504 -11.267 1.00 0.00 H new ATOM 0 HA GLU A 140 9.178 6.006 -9.884 1.00 0.00 H new ATOM 0 HB2 GLU A 140 8.108 5.002 -12.539 1.00 0.00 H new ATOM 0 HB3 GLU A 140 8.387 6.663 -12.058 1.00 0.00 H new ATOM 0 HG2 GLU A 140 10.865 6.158 -11.940 1.00 0.00 H new ATOM 0 HG3 GLU A 140 10.529 4.554 -12.562 1.00 0.00 H new ATOM 2126 N PHE A 141 6.550 4.179 -10.210 1.00 0.00 N ATOM 2127 CA PHE A 141 5.265 3.957 -9.622 1.00 0.00 C ATOM 2128 C PHE A 141 5.377 3.815 -8.143 1.00 0.00 C ATOM 2129 O PHE A 141 4.639 4.474 -7.412 1.00 0.00 O ATOM 2130 CB PHE A 141 4.594 2.740 -10.280 1.00 0.00 C ATOM 2131 CG PHE A 141 3.203 2.471 -9.819 1.00 0.00 C ATOM 2132 CD1 PHE A 141 2.152 3.099 -10.444 1.00 0.00 C ATOM 2133 CD2 PHE A 141 2.950 1.608 -8.779 1.00 0.00 C ATOM 2134 CE1 PHE A 141 0.862 2.955 -9.992 1.00 0.00 C ATOM 2135 CE2 PHE A 141 1.664 1.379 -8.349 1.00 0.00 C ATOM 2136 CZ PHE A 141 0.644 2.060 -8.971 1.00 0.00 C ATOM 0 H PHE A 141 6.807 3.486 -10.913 1.00 0.00 H new ATOM 0 HA PHE A 141 4.629 4.823 -9.804 1.00 0.00 H new ATOM 0 HB2 PHE A 141 4.582 2.889 -11.360 1.00 0.00 H new ATOM 0 HB3 PHE A 141 5.204 1.857 -10.086 1.00 0.00 H new ATOM 0 HD1 PHE A 141 2.344 3.718 -11.308 1.00 0.00 H new ATOM 0 HD2 PHE A 141 3.772 1.103 -8.293 1.00 0.00 H new ATOM 0 HE1 PHE A 141 0.051 3.523 -10.422 1.00 0.00 H new ATOM 0 HE2 PHE A 141 1.461 0.685 -7.547 1.00 0.00 H new ATOM 0 HZ PHE A 141 -0.370 1.885 -8.644 1.00 0.00 H new ATOM 2146 N VAL A 142 6.362 3.050 -7.641 1.00 0.00 N ATOM 2147 CA VAL A 142 6.695 2.829 -6.267 1.00 0.00 C ATOM 2148 C VAL A 142 7.184 4.035 -5.541 1.00 0.00 C ATOM 2149 O VAL A 142 6.687 4.394 -4.475 1.00 0.00 O ATOM 2150 CB VAL A 142 7.604 1.638 -6.189 1.00 0.00 C ATOM 2151 CG1 VAL A 142 8.254 1.497 -4.802 1.00 0.00 C ATOM 2152 CG2 VAL A 142 6.736 0.419 -6.544 1.00 0.00 C ATOM 0 H VAL A 142 6.987 2.535 -8.261 1.00 0.00 H new ATOM 0 HA VAL A 142 5.780 2.607 -5.718 1.00 0.00 H new ATOM 0 HB VAL A 142 8.440 1.739 -6.881 1.00 0.00 H new ATOM 0 HG11 VAL A 142 8.903 0.622 -4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 142 8.843 2.388 -4.584 1.00 0.00 H new ATOM 0 HG13 VAL A 142 7.477 1.381 -4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 142 7.344 -0.485 -6.505 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.916 0.336 -5.831 1.00 0.00 H new ATOM 0 HG23 VAL A 142 6.332 0.541 -7.549 1.00 0.00 H new ATOM 2162 N GLN A 143 8.114 4.816 -6.120 1.00 0.00 N ATOM 2163 CA GLN A 143 8.382 6.105 -5.562 1.00 0.00 C ATOM 2164 C GLN A 143 7.243 7.066 -5.550 1.00 0.00 C ATOM 2165 O GLN A 143 7.160 7.882 -4.633 1.00 0.00 O ATOM 2166 CB GLN A 143 9.547 6.723 -6.352 1.00 0.00 C ATOM 2167 CG GLN A 143 10.891 6.180 -5.863 1.00 0.00 C ATOM 2168 CD GLN A 143 11.081 6.473 -4.382 1.00 0.00 C ATOM 2169 OE1 GLN A 143 11.396 5.533 -3.654 1.00 0.00 O ATOM 2170 NE2 GLN A 143 10.863 7.701 -3.840 1.00 0.00 N ATOM 0 H GLN A 143 8.662 4.568 -6.944 1.00 0.00 H new ATOM 0 HA GLN A 143 8.610 5.934 -4.510 1.00 0.00 H new ATOM 0 HB2 GLN A 143 9.427 6.505 -7.413 1.00 0.00 H new ATOM 0 HB3 GLN A 143 9.528 7.808 -6.245 1.00 0.00 H new ATOM 0 HG2 GLN A 143 10.939 5.105 -6.035 1.00 0.00 H new ATOM 0 HG3 GLN A 143 11.701 6.631 -6.435 1.00 0.00 H new ATOM 0 HE21 GLN A 143 10.602 8.484 -4.439 1.00 0.00 H new ATOM 0 HE22 GLN A 143 10.961 7.839 -2.834 1.00 0.00 H new ATOM 2179 N MET A 144 6.202 6.942 -6.392 1.00 0.00 N ATOM 2180 CA MET A 144 5.109 7.856 -6.271 1.00 0.00 C ATOM 2181 C MET A 144 4.241 7.474 -5.122 1.00 0.00 C ATOM 2182 O MET A 144 3.576 8.371 -4.606 1.00 0.00 O ATOM 2183 CB MET A 144 4.318 7.811 -7.589 1.00 0.00 C ATOM 2184 CG MET A 144 2.921 8.436 -7.578 1.00 0.00 C ATOM 2185 SD MET A 144 2.101 8.422 -9.200 1.00 0.00 S ATOM 2186 CE MET A 144 1.834 6.651 -9.498 1.00 0.00 C ATOM 0 H MET A 144 6.115 6.240 -7.127 1.00 0.00 H new ATOM 0 HA MET A 144 5.472 8.867 -6.085 1.00 0.00 H new ATOM 0 HB2 MET A 144 4.908 8.312 -8.356 1.00 0.00 H new ATOM 0 HB3 MET A 144 4.221 6.768 -7.891 1.00 0.00 H new ATOM 0 HG2 MET A 144 2.299 7.900 -6.862 1.00 0.00 H new ATOM 0 HG3 MET A 144 2.996 9.465 -7.228 1.00 0.00 H new ATOM 0 HE1 MET A 144 1.029 6.521 -10.221 1.00 0.00 H new ATOM 0 HE2 MET A 144 2.749 6.206 -9.890 1.00 0.00 H new ATOM 0 HE3 MET A 144 1.564 6.161 -8.562 1.00 0.00 H new ATOM 2196 N MET A 145 4.149 6.192 -4.727 1.00 0.00 N ATOM 2197 CA MET A 145 3.428 5.779 -3.563 1.00 0.00 C ATOM 2198 C MET A 145 4.140 6.081 -2.289 1.00 0.00 C ATOM 2199 O MET A 145 3.550 6.124 -1.211 1.00 0.00 O ATOM 2200 CB MET A 145 3.088 4.297 -3.795 1.00 0.00 C ATOM 2201 CG MET A 145 1.867 4.253 -4.716 1.00 0.00 C ATOM 2202 SD MET A 145 1.117 2.643 -5.102 1.00 0.00 S ATOM 2203 CE MET A 145 -0.273 3.642 -5.709 1.00 0.00 C ATOM 0 H MET A 145 4.588 5.421 -5.231 1.00 0.00 H new ATOM 0 HA MET A 145 2.509 6.349 -3.430 1.00 0.00 H new ATOM 0 HB2 MET A 145 3.931 3.775 -4.248 1.00 0.00 H new ATOM 0 HB3 MET A 145 2.875 3.798 -2.849 1.00 0.00 H new ATOM 0 HG2 MET A 145 1.094 4.878 -4.269 1.00 0.00 H new ATOM 0 HG3 MET A 145 2.149 4.720 -5.660 1.00 0.00 H new ATOM 0 HE1 MET A 145 -0.871 3.051 -6.403 1.00 0.00 H new ATOM 0 HE2 MET A 145 -0.893 3.951 -4.868 1.00 0.00 H new ATOM 0 HE3 MET A 145 0.110 4.525 -6.221 1.00 0.00 H new