USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 528 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 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 66 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 35 SER OG : rot 180:sc= 1.09 USER MOD Set 2.2: A 38 THR OG1 : rot 88:sc= 1.21 USER MOD Set 3.1: A 15 ASN : amide:sc= 0.578 K(o=1.1,f=-2.2!) USER MOD Set 3.2: A 25 GLN : amide:sc= 0.0487 K(o=1.1,f=0.0007) USER MOD Set 3.3: A 43 CYS SG : rot 93:sc= 0.485 USER MOD Single : A 5 LYS NZ :NH3+ -156:sc= -0.114 (180deg=-0.714) USER MOD Single : A 6 GLN : amide:sc= -0.0946 X(o=-0.095,f=-0.21) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -93:sc= -0.871! USER MOD Single : A 13 ASN : amide:sc= 0.528 K(o=0.53,f=-0.91) USER MOD Single : A 16 SER OG : rot 87:sc= 1.32 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0248) USER MOD Single : A 21 SER OG : rot -23:sc= 0.102 USER MOD Single : A 23 LYS NZ :NH3+ -169:sc= 1.15 (180deg=1.08) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= 1.25 (180deg=0.558) USER MOD Single : A 31 SER OG : rot 83:sc= 1.22 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 40 ASN : amide:sc= -0.752 K(o=-0.75,f=0) USER MOD Single : A 41 THR OG1 : rot 34:sc= 0.535 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 165:sc= -0.0613 (180deg=-0.417) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0.549 K(o=0.55,f=-0.11) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.108 K(o=-0.11,f=-0.83) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 70 N LYS A 5 10.392 7.929 6.214 1.00 0.00 N ATOM 71 CA LYS A 5 9.303 7.179 6.824 1.00 0.00 C ATOM 72 C LYS A 5 8.141 6.990 5.856 1.00 0.00 C ATOM 73 O LYS A 5 7.521 5.932 5.835 1.00 0.00 O ATOM 74 CB LYS A 5 8.812 7.854 8.104 1.00 0.00 C ATOM 75 CG LYS A 5 9.350 7.202 9.366 1.00 0.00 C ATOM 76 CD LYS A 5 8.655 7.732 10.609 1.00 0.00 C ATOM 77 CE LYS A 5 8.975 6.885 11.829 1.00 0.00 C ATOM 78 NZ LYS A 5 8.563 5.467 11.640 1.00 0.00 N ATOM 0 HA LYS A 5 9.699 6.196 7.079 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.107 8.903 8.090 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.722 7.829 8.126 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.214 6.122 9.305 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.422 7.384 9.442 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.964 8.762 10.789 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.577 7.746 10.447 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.045 6.929 12.032 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.468 7.298 12.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.410 5.023 12.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.681 5.432 11.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.310 4.954 11.130 1.00 0.00 H new ATOM 92 N GLN A 6 7.856 8.005 5.044 1.00 0.00 N ATOM 93 CA GLN A 6 6.747 7.930 4.095 1.00 0.00 C ATOM 94 C GLN A 6 6.998 6.819 3.079 1.00 0.00 C ATOM 95 O GLN A 6 6.103 6.037 2.761 1.00 0.00 O ATOM 96 CB GLN A 6 6.556 9.272 3.383 1.00 0.00 C ATOM 97 CG GLN A 6 5.304 9.333 2.521 1.00 0.00 C ATOM 98 CD GLN A 6 4.028 9.170 3.327 1.00 0.00 C ATOM 99 OE1 GLN A 6 3.546 8.060 3.534 1.00 0.00 O ATOM 100 NE2 GLN A 6 3.471 10.282 3.781 1.00 0.00 N ATOM 0 H GLN A 6 8.373 8.884 5.023 1.00 0.00 H new ATOM 0 HA GLN A 6 5.834 7.702 4.645 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.512 10.066 4.128 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.427 9.469 2.758 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.277 10.287 1.995 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.352 8.552 1.763 1.00 0.00 H new ATOM 0 HE21 GLN A 6 3.904 11.185 3.587 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.609 10.236 4.325 1.00 0.00 H new ATOM 109 N LYS A 7 8.230 6.746 2.590 1.00 0.00 N ATOM 110 CA LYS A 7 8.633 5.682 1.679 1.00 0.00 C ATOM 111 C LYS A 7 8.542 4.322 2.363 1.00 0.00 C ATOM 112 O LYS A 7 8.150 3.333 1.745 1.00 0.00 O ATOM 113 CB LYS A 7 10.052 5.938 1.162 1.00 0.00 C ATOM 114 CG LYS A 7 10.111 6.958 0.031 1.00 0.00 C ATOM 115 CD LYS A 7 11.484 7.608 -0.091 1.00 0.00 C ATOM 116 CE LYS A 7 12.592 6.587 -0.282 1.00 0.00 C ATOM 117 NZ LYS A 7 13.936 7.225 -0.242 1.00 0.00 N ATOM 0 H LYS A 7 8.969 7.413 2.810 1.00 0.00 H new ATOM 0 HA LYS A 7 7.951 5.676 0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.674 6.285 1.987 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.479 4.997 0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.858 6.469 -0.910 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.360 7.730 0.201 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.482 8.300 -0.933 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.686 8.196 0.804 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.526 5.827 0.497 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.458 6.078 -1.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.669 6.499 -0.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.007 7.933 -1.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.073 7.689 0.678 1.00 0.00 H new ATOM 131 N ALA A 8 8.880 4.284 3.645 1.00 0.00 N ATOM 132 CA ALA A 8 8.805 3.049 4.415 1.00 0.00 C ATOM 133 C ALA A 8 7.357 2.597 4.587 1.00 0.00 C ATOM 134 O ALA A 8 7.061 1.400 4.530 1.00 0.00 O ATOM 135 CB ALA A 8 9.473 3.230 5.771 1.00 0.00 C ATOM 0 H ALA A 8 9.208 5.092 4.173 1.00 0.00 H new ATOM 0 HA ALA A 8 9.336 2.272 3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.409 2.299 6.335 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.520 3.497 5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.968 4.024 6.322 1.00 0.00 H new ATOM 141 N ILE A 9 6.456 3.559 4.791 1.00 0.00 N ATOM 142 CA ILE A 9 5.031 3.268 4.941 1.00 0.00 C ATOM 143 C ILE A 9 4.471 2.640 3.668 1.00 0.00 C ATOM 144 O ILE A 9 3.842 1.580 3.715 1.00 0.00 O ATOM 145 CB ILE A 9 4.216 4.540 5.284 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.664 5.117 6.633 1.00 0.00 C ATOM 147 CG2 ILE A 9 2.722 4.235 5.303 1.00 0.00 C ATOM 148 CD1 ILE A 9 3.977 6.415 6.995 1.00 0.00 C ATOM 0 H ILE A 9 6.690 4.550 4.856 1.00 0.00 H new ATOM 0 HA ILE A 9 4.937 2.564 5.768 1.00 0.00 H new ATOM 0 HB ILE A 9 4.403 5.285 4.510 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.470 4.383 7.415 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.741 5.280 6.609 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.169 5.142 5.546 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.412 3.872 4.323 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.516 3.472 6.054 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.343 6.764 7.961 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.191 7.165 6.233 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.901 6.253 7.052 1.00 0.00 H new ATOM 160 N PHE A 10 4.723 3.294 2.538 1.00 0.00 N ATOM 161 CA PHE A 10 4.265 2.806 1.240 1.00 0.00 C ATOM 162 C PHE A 10 4.745 1.379 0.991 1.00 0.00 C ATOM 163 O PHE A 10 3.957 0.498 0.633 1.00 0.00 O ATOM 164 CB PHE A 10 4.772 3.731 0.129 1.00 0.00 C ATOM 165 CG PHE A 10 4.423 3.271 -1.260 1.00 0.00 C ATOM 166 CD1 PHE A 10 3.179 3.546 -1.804 1.00 0.00 C ATOM 167 CD2 PHE A 10 5.336 2.555 -2.021 1.00 0.00 C ATOM 168 CE1 PHE A 10 2.853 3.122 -3.080 1.00 0.00 C ATOM 169 CE2 PHE A 10 5.014 2.129 -3.296 1.00 0.00 C ATOM 170 CZ PHE A 10 3.770 2.410 -3.824 1.00 0.00 C ATOM 0 H PHE A 10 5.245 4.169 2.495 1.00 0.00 H new ATOM 0 HA PHE A 10 3.175 2.803 1.240 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.359 4.728 0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.855 3.818 0.210 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.454 4.099 -1.225 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.310 2.328 -1.612 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.881 3.348 -3.493 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.736 1.576 -3.879 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.515 2.073 -4.818 1.00 0.00 H new ATOM 180 N SER A 11 6.036 1.157 1.194 1.00 0.00 N ATOM 181 CA SER A 11 6.632 -0.150 0.986 1.00 0.00 C ATOM 182 C SER A 11 6.053 -1.188 1.945 1.00 0.00 C ATOM 183 O SER A 11 5.740 -2.301 1.532 1.00 0.00 O ATOM 184 CB SER A 11 8.147 -0.066 1.152 1.00 0.00 C ATOM 185 OG SER A 11 8.701 0.833 0.209 1.00 0.00 O ATOM 0 H SER A 11 6.693 1.873 1.505 1.00 0.00 H new ATOM 0 HA SER A 11 6.398 -0.468 -0.030 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.390 0.262 2.162 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.588 -1.054 1.023 1.00 0.00 H new ATOM 0 HG SER A 11 8.979 0.339 -0.590 1.00 0.00 H new ATOM 191 N GLU A 12 5.901 -0.817 3.214 1.00 0.00 N ATOM 192 CA GLU A 12 5.370 -1.728 4.223 1.00 0.00 C ATOM 193 C GLU A 12 3.967 -2.195 3.843 1.00 0.00 C ATOM 194 O GLU A 12 3.666 -3.391 3.885 1.00 0.00 O ATOM 195 CB GLU A 12 5.338 -1.047 5.591 1.00 0.00 C ATOM 196 CG GLU A 12 4.941 -1.974 6.727 1.00 0.00 C ATOM 197 CD GLU A 12 5.977 -3.050 6.981 1.00 0.00 C ATOM 198 OE1 GLU A 12 6.900 -2.812 7.787 1.00 0.00 O ATOM 199 OE2 GLU A 12 5.875 -4.138 6.381 1.00 0.00 O ATOM 0 H GLU A 12 6.139 0.110 3.568 1.00 0.00 H new ATOM 0 HA GLU A 12 6.026 -2.597 4.274 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.323 -0.630 5.802 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.639 -0.212 5.555 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.797 -1.390 7.636 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.984 -2.442 6.494 1.00 0.00 H new ATOM 206 N ASN A 13 3.121 -1.244 3.452 1.00 0.00 N ATOM 207 CA ASN A 13 1.753 -1.553 3.045 1.00 0.00 C ATOM 208 C ASN A 13 1.750 -2.485 1.843 1.00 0.00 C ATOM 209 O ASN A 13 1.166 -3.567 1.885 1.00 0.00 O ATOM 210 CB ASN A 13 0.972 -0.277 2.703 1.00 0.00 C ATOM 211 CG ASN A 13 0.700 0.602 3.912 1.00 0.00 C ATOM 212 OD1 ASN A 13 0.602 0.117 5.040 1.00 0.00 O ATOM 213 ND2 ASN A 13 0.568 1.902 3.685 1.00 0.00 N ATOM 0 H ASN A 13 3.359 -0.253 3.409 1.00 0.00 H new ATOM 0 HA ASN A 13 1.265 -2.046 3.886 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.532 0.296 1.964 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.024 -0.552 2.242 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.378 2.538 4.459 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.656 2.266 2.736 1.00 0.00 H new ATOM 220 N LEU A 14 2.437 -2.069 0.783 1.00 0.00 N ATOM 221 CA LEU A 14 2.484 -2.837 -0.458 1.00 0.00 C ATOM 222 C LEU A 14 3.049 -4.235 -0.221 1.00 0.00 C ATOM 223 O LEU A 14 2.470 -5.231 -0.655 1.00 0.00 O ATOM 224 CB LEU A 14 3.334 -2.097 -1.496 1.00 0.00 C ATOM 225 CG LEU A 14 3.463 -2.790 -2.855 1.00 0.00 C ATOM 226 CD1 LEU A 14 2.115 -2.880 -3.551 1.00 0.00 C ATOM 227 CD2 LEU A 14 4.468 -2.059 -3.731 1.00 0.00 C ATOM 0 H LEU A 14 2.971 -1.200 0.759 1.00 0.00 H new ATOM 0 HA LEU A 14 1.466 -2.943 -0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.906 -1.107 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.333 -1.952 -1.085 1.00 0.00 H new ATOM 0 HG LEU A 14 3.823 -3.805 -2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.235 -3.376 -4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.423 -3.451 -2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.718 -1.877 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.548 -2.565 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.136 -1.033 -3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.442 -2.055 -3.242 1.00 0.00 H new ATOM 239 N ASN A 15 4.164 -4.296 0.497 1.00 0.00 N ATOM 240 CA ASN A 15 4.880 -5.550 0.727 1.00 0.00 C ATOM 241 C ASN A 15 4.013 -6.548 1.489 1.00 0.00 C ATOM 242 O ASN A 15 4.101 -7.757 1.267 1.00 0.00 O ATOM 243 CB ASN A 15 6.171 -5.272 1.502 1.00 0.00 C ATOM 244 CG ASN A 15 7.178 -6.398 1.404 1.00 0.00 C ATOM 245 OD1 ASN A 15 7.232 -7.121 0.410 1.00 0.00 O ATOM 246 ND2 ASN A 15 8.003 -6.536 2.429 1.00 0.00 N ATOM 0 H ASN A 15 4.598 -3.483 0.935 1.00 0.00 H new ATOM 0 HA ASN A 15 5.125 -5.989 -0.240 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.623 -4.355 1.125 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.928 -5.100 2.551 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.718 -7.263 2.414 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.924 -5.915 3.234 1.00 0.00 H new ATOM 253 N SER A 16 3.162 -6.039 2.371 1.00 0.00 N ATOM 254 CA SER A 16 2.273 -6.889 3.147 1.00 0.00 C ATOM 255 C SER A 16 1.259 -7.585 2.239 1.00 0.00 C ATOM 256 O SER A 16 0.994 -8.782 2.392 1.00 0.00 O ATOM 257 CB SER A 16 1.557 -6.065 4.217 1.00 0.00 C ATOM 258 OG SER A 16 2.488 -5.473 5.106 1.00 0.00 O ATOM 0 H SER A 16 3.070 -5.042 2.566 1.00 0.00 H new ATOM 0 HA SER A 16 2.871 -7.657 3.638 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.957 -5.289 3.743 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.871 -6.703 4.774 1.00 0.00 H new ATOM 0 HG SER A 16 2.781 -4.610 4.746 1.00 0.00 H new ATOM 264 N TYR A 17 0.715 -6.845 1.279 1.00 0.00 N ATOM 265 CA TYR A 17 -0.238 -7.417 0.334 1.00 0.00 C ATOM 266 C TYR A 17 0.456 -8.422 -0.578 1.00 0.00 C ATOM 267 O TYR A 17 -0.132 -9.429 -0.967 1.00 0.00 O ATOM 268 CB TYR A 17 -0.899 -6.326 -0.510 1.00 0.00 C ATOM 269 CG TYR A 17 -1.816 -5.409 0.270 1.00 0.00 C ATOM 270 CD1 TYR A 17 -3.018 -5.876 0.785 1.00 0.00 C ATOM 271 CD2 TYR A 17 -1.479 -4.082 0.495 1.00 0.00 C ATOM 272 CE1 TYR A 17 -3.858 -5.044 1.501 1.00 0.00 C ATOM 273 CE2 TYR A 17 -2.312 -3.244 1.209 1.00 0.00 C ATOM 274 CZ TYR A 17 -3.501 -3.730 1.712 1.00 0.00 C ATOM 275 OH TYR A 17 -4.331 -2.900 2.429 1.00 0.00 O ATOM 0 H TYR A 17 0.915 -5.855 1.135 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.011 -7.927 0.908 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.121 -5.727 -0.983 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.470 -6.797 -1.310 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.301 -6.906 0.624 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.548 -3.698 0.105 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.790 -5.422 1.893 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.034 -2.213 1.373 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.931 -2.007 2.486 1.00 0.00 H new ATOM 285 N ILE A 18 1.710 -8.135 -0.902 1.00 0.00 N ATOM 286 CA ILE A 18 2.518 -9.015 -1.743 1.00 0.00 C ATOM 287 C ILE A 18 2.729 -10.367 -1.070 1.00 0.00 C ATOM 288 O ILE A 18 2.519 -11.415 -1.682 1.00 0.00 O ATOM 289 CB ILE A 18 3.891 -8.374 -2.055 1.00 0.00 C ATOM 290 CG1 ILE A 18 3.701 -7.060 -2.818 1.00 0.00 C ATOM 291 CG2 ILE A 18 4.766 -9.329 -2.853 1.00 0.00 C ATOM 292 CD1 ILE A 18 4.977 -6.266 -2.972 1.00 0.00 C ATOM 0 H ILE A 18 2.195 -7.293 -0.593 1.00 0.00 H new ATOM 0 HA ILE A 18 1.976 -9.164 -2.677 1.00 0.00 H new ATOM 0 HB ILE A 18 4.393 -8.162 -1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.296 -7.278 -3.806 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.963 -6.450 -2.298 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.726 -8.856 -3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.927 -10.241 -2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.272 -9.575 -3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.770 -5.348 -3.522 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.372 -6.018 -1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.711 -6.859 -3.519 1.00 0.00 H new ATOM 304 N ALA A 19 3.128 -10.337 0.196 1.00 0.00 N ATOM 305 CA ALA A 19 3.395 -11.561 0.946 1.00 0.00 C ATOM 306 C ALA A 19 2.118 -12.370 1.162 1.00 0.00 C ATOM 307 O ALA A 19 2.104 -13.589 0.995 1.00 0.00 O ATOM 308 CB ALA A 19 4.049 -11.227 2.276 1.00 0.00 C ATOM 0 H ALA A 19 3.274 -9.478 0.726 1.00 0.00 H new ATOM 0 HA ALA A 19 4.079 -12.175 0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.244 -12.147 2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.989 -10.705 2.098 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.384 -10.589 2.858 1.00 0.00 H new ATOM 314 N LYS A 20 1.036 -11.680 1.501 1.00 0.00 N ATOM 315 CA LYS A 20 -0.227 -12.342 1.811 1.00 0.00 C ATOM 316 C LYS A 20 -0.970 -12.780 0.554 1.00 0.00 C ATOM 317 O LYS A 20 -2.009 -13.437 0.633 1.00 0.00 O ATOM 318 CB LYS A 20 -1.110 -11.427 2.653 1.00 0.00 C ATOM 319 CG LYS A 20 -1.085 -11.768 4.137 1.00 0.00 C ATOM 320 CD LYS A 20 0.324 -11.703 4.708 1.00 0.00 C ATOM 321 CE LYS A 20 0.377 -12.210 6.144 1.00 0.00 C ATOM 322 NZ LYS A 20 -0.430 -11.374 7.070 1.00 0.00 N ATOM 0 H LYS A 20 1.007 -10.663 1.568 1.00 0.00 H new ATOM 0 HA LYS A 20 0.009 -13.241 2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.785 -10.395 2.518 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.136 -11.488 2.290 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.729 -11.076 4.680 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.492 -12.768 4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.995 -12.297 4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.684 -10.675 4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.015 -13.237 6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.413 -12.226 6.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.321 -11.728 8.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.102 -10.388 7.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.432 -11.419 6.795 1.00 0.00 H new ATOM 336 N SER A 21 -0.441 -12.408 -0.599 1.00 0.00 N ATOM 337 CA SER A 21 -1.001 -12.835 -1.872 1.00 0.00 C ATOM 338 C SER A 21 -0.614 -14.285 -2.171 1.00 0.00 C ATOM 339 O SER A 21 -1.210 -14.930 -3.036 1.00 0.00 O ATOM 340 CB SER A 21 -0.518 -11.908 -2.995 1.00 0.00 C ATOM 341 OG SER A 21 -1.138 -12.224 -4.230 1.00 0.00 O ATOM 0 H SER A 21 0.380 -11.808 -0.681 1.00 0.00 H new ATOM 0 HA SER A 21 -2.088 -12.778 -1.812 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.734 -10.873 -2.732 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.564 -11.992 -3.098 1.00 0.00 H new ATOM 0 HG SER A 21 -1.444 -13.155 -4.214 1.00 0.00 H new ATOM 347 N GLU A 22 0.390 -14.779 -1.438 1.00 0.00 N ATOM 348 CA GLU A 22 0.922 -16.141 -1.595 1.00 0.00 C ATOM 349 C GLU A 22 1.756 -16.275 -2.872 1.00 0.00 C ATOM 350 O GLU A 22 2.773 -16.975 -2.893 1.00 0.00 O ATOM 351 CB GLU A 22 -0.195 -17.192 -1.577 1.00 0.00 C ATOM 352 CG GLU A 22 0.308 -18.614 -1.766 1.00 0.00 C ATOM 353 CD GLU A 22 -0.815 -19.627 -1.832 1.00 0.00 C ATOM 354 OE1 GLU A 22 -1.534 -19.654 -2.850 1.00 0.00 O ATOM 355 OE2 GLU A 22 -0.990 -20.392 -0.862 1.00 0.00 O ATOM 0 H GLU A 22 0.862 -14.241 -0.711 1.00 0.00 H new ATOM 0 HA GLU A 22 1.573 -16.324 -0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.729 -17.127 -0.629 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.913 -16.961 -2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.895 -18.668 -2.683 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.976 -18.871 -0.944 1.00 0.00 H new ATOM 362 N LYS A 23 1.318 -15.614 -3.934 1.00 0.00 N ATOM 363 CA LYS A 23 2.070 -15.570 -5.171 1.00 0.00 C ATOM 364 C LYS A 23 3.361 -14.794 -4.943 1.00 0.00 C ATOM 365 O LYS A 23 3.452 -13.992 -4.011 1.00 0.00 O ATOM 366 CB LYS A 23 1.239 -14.933 -6.292 1.00 0.00 C ATOM 367 CG LYS A 23 0.541 -15.937 -7.214 1.00 0.00 C ATOM 368 CD LYS A 23 -0.714 -16.564 -6.599 1.00 0.00 C ATOM 369 CE LYS A 23 -0.397 -17.640 -5.569 1.00 0.00 C ATOM 370 NZ LYS A 23 -1.622 -18.366 -5.127 1.00 0.00 N ATOM 0 H LYS A 23 0.438 -15.098 -3.959 1.00 0.00 H new ATOM 0 HA LYS A 23 2.313 -16.586 -5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.485 -14.285 -5.845 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.890 -14.298 -6.893 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.269 -15.436 -8.143 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.243 -16.729 -7.473 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.311 -15.783 -6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.324 -16.996 -7.392 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.313 -18.350 -5.993 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.086 -17.184 -4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.397 -18.955 -4.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.360 -17.679 -4.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.965 -18.972 -5.900 1.00 0.00 H new ATOM 384 N THR A 24 4.354 -15.024 -5.781 1.00 0.00 N ATOM 385 CA THR A 24 5.672 -14.473 -5.536 1.00 0.00 C ATOM 386 C THR A 24 5.819 -13.064 -6.082 1.00 0.00 C ATOM 387 O THR A 24 5.065 -12.633 -6.958 1.00 0.00 O ATOM 388 CB THR A 24 6.763 -15.388 -6.111 1.00 0.00 C ATOM 389 OG1 THR A 24 6.358 -15.899 -7.386 1.00 0.00 O ATOM 390 CG2 THR A 24 7.048 -16.536 -5.155 1.00 0.00 C ATOM 0 H THR A 24 4.274 -15.584 -6.630 1.00 0.00 H new ATOM 0 HA THR A 24 5.794 -14.416 -4.454 1.00 0.00 H new ATOM 0 HB THR A 24 7.675 -14.804 -6.239 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.062 -16.480 -7.744 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.823 -17.176 -5.576 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.386 -16.138 -4.198 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.139 -17.118 -5.004 1.00 0.00 H new ATOM 398 N GLN A 25 6.797 -12.353 -5.540 1.00 0.00 N ATOM 399 CA GLN A 25 7.080 -10.982 -5.935 1.00 0.00 C ATOM 400 C GLN A 25 7.359 -10.902 -7.428 1.00 0.00 C ATOM 401 O GLN A 25 6.946 -9.959 -8.100 1.00 0.00 O ATOM 402 CB GLN A 25 8.277 -10.467 -5.140 1.00 0.00 C ATOM 403 CG GLN A 25 8.028 -10.452 -3.640 1.00 0.00 C ATOM 404 CD GLN A 25 9.247 -10.068 -2.828 1.00 0.00 C ATOM 405 OE1 GLN A 25 10.039 -10.925 -2.429 1.00 0.00 O ATOM 406 NE2 GLN A 25 9.393 -8.784 -2.556 1.00 0.00 N ATOM 0 H GLN A 25 7.417 -12.711 -4.813 1.00 0.00 H new ATOM 0 HA GLN A 25 6.210 -10.360 -5.722 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.144 -11.092 -5.353 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.521 -9.458 -5.473 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.221 -9.753 -3.421 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.689 -11.439 -3.326 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.714 -8.108 -2.906 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.185 -8.468 -1.996 1.00 0.00 H new ATOM 415 N LEU A 26 8.042 -11.915 -7.936 1.00 0.00 N ATOM 416 CA LEU A 26 8.374 -11.993 -9.353 1.00 0.00 C ATOM 417 C LEU A 26 7.108 -12.119 -10.198 1.00 0.00 C ATOM 418 O LEU A 26 6.993 -11.507 -11.261 1.00 0.00 O ATOM 419 CB LEU A 26 9.288 -13.190 -9.615 1.00 0.00 C ATOM 420 CG LEU A 26 10.509 -12.903 -10.493 1.00 0.00 C ATOM 421 CD1 LEU A 26 11.374 -14.145 -10.620 1.00 0.00 C ATOM 422 CD2 LEU A 26 10.091 -12.412 -11.871 1.00 0.00 C ATOM 0 H LEU A 26 8.381 -12.703 -7.384 1.00 0.00 H new ATOM 0 HA LEU A 26 8.892 -11.076 -9.633 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.634 -13.578 -8.657 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.700 -13.978 -10.085 1.00 0.00 H new ATOM 0 HG LEU A 26 11.089 -12.115 -10.013 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.238 -13.924 -11.247 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.713 -14.455 -9.632 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.793 -14.948 -11.073 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.979 -12.216 -12.472 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.483 -13.173 -12.359 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.512 -11.494 -11.770 1.00 0.00 H new ATOM 434 N GLU A 27 6.157 -12.910 -9.709 1.00 0.00 N ATOM 435 CA GLU A 27 4.893 -13.125 -10.393 1.00 0.00 C ATOM 436 C GLU A 27 4.117 -11.820 -10.540 1.00 0.00 C ATOM 437 O GLU A 27 3.521 -11.548 -11.587 1.00 0.00 O ATOM 438 CB GLU A 27 4.070 -14.160 -9.626 1.00 0.00 C ATOM 439 CG GLU A 27 4.498 -15.591 -9.897 1.00 0.00 C ATOM 440 CD GLU A 27 4.279 -15.989 -11.340 1.00 0.00 C ATOM 441 OE1 GLU A 27 5.113 -15.636 -12.199 1.00 0.00 O ATOM 442 OE2 GLU A 27 3.267 -16.660 -11.625 1.00 0.00 O ATOM 0 H GLU A 27 6.244 -13.418 -8.829 1.00 0.00 H new ATOM 0 HA GLU A 27 5.096 -13.499 -11.397 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.153 -13.960 -8.558 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.019 -14.046 -9.891 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.552 -15.707 -9.646 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.940 -16.265 -9.247 1.00 0.00 H new ATOM 449 N ILE A 28 4.141 -11.006 -9.500 1.00 0.00 N ATOM 450 CA ILE A 28 3.494 -9.709 -9.544 1.00 0.00 C ATOM 451 C ILE A 28 4.296 -8.756 -10.427 1.00 0.00 C ATOM 452 O ILE A 28 3.733 -8.030 -11.247 1.00 0.00 O ATOM 453 CB ILE A 28 3.337 -9.116 -8.130 1.00 0.00 C ATOM 454 CG1 ILE A 28 2.573 -10.096 -7.235 1.00 0.00 C ATOM 455 CG2 ILE A 28 2.616 -7.777 -8.194 1.00 0.00 C ATOM 456 CD1 ILE A 28 2.427 -9.635 -5.800 1.00 0.00 C ATOM 0 H ILE A 28 4.601 -11.221 -8.616 1.00 0.00 H new ATOM 0 HA ILE A 28 2.498 -9.840 -9.967 1.00 0.00 H new ATOM 0 HB ILE A 28 4.327 -8.951 -7.704 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.581 -10.259 -7.656 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.086 -11.058 -7.246 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.513 -7.371 -7.188 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.190 -7.083 -8.808 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.628 -7.916 -8.632 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.875 -10.384 -5.232 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.415 -9.500 -5.359 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.886 -8.689 -5.775 1.00 0.00 H new ATOM 468 N ALA A 29 5.618 -8.801 -10.285 1.00 0.00 N ATOM 469 CA ALA A 29 6.513 -7.938 -11.050 1.00 0.00 C ATOM 470 C ALA A 29 6.342 -8.135 -12.555 1.00 0.00 C ATOM 471 O ALA A 29 6.240 -7.160 -13.304 1.00 0.00 O ATOM 472 CB ALA A 29 7.964 -8.183 -10.657 1.00 0.00 C ATOM 0 H ALA A 29 6.096 -9.432 -9.641 1.00 0.00 H new ATOM 0 HA ALA A 29 6.247 -6.908 -10.812 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.614 -7.530 -11.239 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.094 -7.972 -9.596 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.224 -9.223 -10.855 1.00 0.00 H new ATOM 478 N LYS A 30 6.303 -9.390 -12.997 1.00 0.00 N ATOM 479 CA LYS A 30 6.172 -9.689 -14.421 1.00 0.00 C ATOM 480 C LYS A 30 4.808 -9.249 -14.953 1.00 0.00 C ATOM 481 O LYS A 30 4.661 -8.948 -16.139 1.00 0.00 O ATOM 482 CB LYS A 30 6.439 -11.179 -14.703 1.00 0.00 C ATOM 483 CG LYS A 30 5.446 -12.156 -14.082 1.00 0.00 C ATOM 484 CD LYS A 30 4.221 -12.363 -14.967 1.00 0.00 C ATOM 485 CE LYS A 30 3.266 -13.404 -14.398 1.00 0.00 C ATOM 486 NZ LYS A 30 3.854 -14.769 -14.406 1.00 0.00 N ATOM 0 H LYS A 30 6.360 -10.211 -12.394 1.00 0.00 H new ATOM 0 HA LYS A 30 6.930 -9.116 -14.955 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.444 -11.331 -15.782 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.438 -11.425 -14.342 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.937 -13.114 -13.913 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.131 -11.783 -13.108 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.695 -11.415 -15.083 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.542 -12.673 -15.961 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.000 -13.131 -13.377 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.344 -13.404 -14.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.108 -15.470 -14.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.284 -14.956 -15.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.583 -14.837 -13.667 1.00 0.00 H new ATOM 500 N SER A 31 3.819 -9.200 -14.067 1.00 0.00 N ATOM 501 CA SER A 31 2.481 -8.769 -14.439 1.00 0.00 C ATOM 502 C SER A 31 2.427 -7.250 -14.561 1.00 0.00 C ATOM 503 O SER A 31 1.732 -6.708 -15.419 1.00 0.00 O ATOM 504 CB SER A 31 1.469 -9.253 -13.404 1.00 0.00 C ATOM 505 OG SER A 31 1.519 -10.665 -13.270 1.00 0.00 O ATOM 0 H SER A 31 3.922 -9.455 -13.085 1.00 0.00 H new ATOM 0 HA SER A 31 2.230 -9.203 -15.407 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.675 -8.785 -12.441 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.465 -8.947 -13.700 1.00 0.00 H new ATOM 0 HG SER A 31 2.249 -10.910 -12.664 1.00 0.00 H new ATOM 511 N ILE A 32 3.167 -6.570 -13.689 1.00 0.00 N ATOM 512 CA ILE A 32 3.279 -5.118 -13.749 1.00 0.00 C ATOM 513 C ILE A 32 4.052 -4.709 -14.997 1.00 0.00 C ATOM 514 O ILE A 32 3.661 -3.785 -15.711 1.00 0.00 O ATOM 515 CB ILE A 32 3.980 -4.544 -12.494 1.00 0.00 C ATOM 516 CG1 ILE A 32 3.219 -4.941 -11.226 1.00 0.00 C ATOM 517 CG2 ILE A 32 4.109 -3.026 -12.582 1.00 0.00 C ATOM 518 CD1 ILE A 32 1.763 -4.526 -11.229 1.00 0.00 C ATOM 0 H ILE A 32 3.698 -7.003 -12.933 1.00 0.00 H new ATOM 0 HA ILE A 32 2.269 -4.710 -13.787 1.00 0.00 H new ATOM 0 HB ILE A 32 4.984 -4.967 -12.447 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.278 -6.022 -11.102 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.712 -4.494 -10.363 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.605 -2.651 -11.687 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.697 -2.761 -13.461 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.117 -2.581 -12.661 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.293 -4.843 -10.298 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.694 -3.442 -11.320 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.253 -4.994 -12.071 1.00 0.00 H new ATOM 530 N GLY A 33 5.143 -5.416 -15.258 1.00 0.00 N ATOM 531 CA GLY A 33 5.943 -5.134 -16.431 1.00 0.00 C ATOM 532 C GLY A 33 7.281 -4.519 -16.079 1.00 0.00 C ATOM 533 O GLY A 33 7.838 -3.747 -16.861 1.00 0.00 O ATOM 0 H GLY A 33 5.488 -6.180 -14.677 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.105 -6.057 -16.988 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.396 -4.457 -17.087 1.00 0.00 H new ATOM 537 N VAL A 34 7.788 -4.857 -14.899 1.00 0.00 N ATOM 538 CA VAL A 34 9.066 -4.339 -14.427 1.00 0.00 C ATOM 539 C VAL A 34 9.976 -5.484 -14.006 1.00 0.00 C ATOM 540 O VAL A 34 9.511 -6.603 -13.780 1.00 0.00 O ATOM 541 CB VAL A 34 8.888 -3.366 -13.236 1.00 0.00 C ATOM 542 CG1 VAL A 34 8.121 -2.127 -13.661 1.00 0.00 C ATOM 543 CG2 VAL A 34 8.185 -4.051 -12.074 1.00 0.00 C ATOM 0 H VAL A 34 7.329 -5.493 -14.247 1.00 0.00 H new ATOM 0 HA VAL A 34 9.517 -3.790 -15.254 1.00 0.00 H new ATOM 0 HB VAL A 34 9.880 -3.060 -12.904 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.008 -1.458 -12.808 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.667 -1.615 -14.454 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.136 -2.417 -14.027 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.072 -3.346 -11.250 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.202 -4.394 -12.395 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.777 -4.904 -11.743 1.00 0.00 H new ATOM 553 N SER A 35 11.264 -5.205 -13.913 1.00 0.00 N ATOM 554 CA SER A 35 12.230 -6.208 -13.501 1.00 0.00 C ATOM 555 C SER A 35 12.092 -6.508 -12.008 1.00 0.00 C ATOM 556 O SER A 35 11.780 -5.616 -11.211 1.00 0.00 O ATOM 557 CB SER A 35 13.639 -5.734 -13.843 1.00 0.00 C ATOM 558 OG SER A 35 13.828 -4.377 -13.473 1.00 0.00 O ATOM 0 H SER A 35 11.666 -4.290 -14.118 1.00 0.00 H new ATOM 0 HA SER A 35 12.036 -7.135 -14.040 1.00 0.00 H new ATOM 0 HB2 SER A 35 14.370 -6.359 -13.330 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.815 -5.850 -14.912 1.00 0.00 H new ATOM 0 HG SER A 35 14.740 -4.099 -13.702 1.00 0.00 H new ATOM 564 N PRO A 36 12.322 -7.772 -11.612 1.00 0.00 N ATOM 565 CA PRO A 36 12.147 -8.219 -10.228 1.00 0.00 C ATOM 566 C PRO A 36 12.939 -7.391 -9.216 1.00 0.00 C ATOM 567 O PRO A 36 12.468 -7.157 -8.107 1.00 0.00 O ATOM 568 CB PRO A 36 12.637 -9.671 -10.235 1.00 0.00 C ATOM 569 CG PRO A 36 13.370 -9.842 -11.524 1.00 0.00 C ATOM 570 CD PRO A 36 12.757 -8.871 -12.488 1.00 0.00 C ATOM 0 HA PRO A 36 11.108 -8.110 -9.916 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.289 -9.869 -9.384 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.801 -10.367 -10.164 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.434 -9.643 -11.396 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.279 -10.864 -11.891 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.476 -8.533 -13.234 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.920 -9.312 -13.029 1.00 0.00 H new ATOM 578 N GLN A 37 14.132 -6.939 -9.591 1.00 0.00 N ATOM 579 CA GLN A 37 14.953 -6.143 -8.683 1.00 0.00 C ATOM 580 C GLN A 37 14.441 -4.712 -8.556 1.00 0.00 C ATOM 581 O GLN A 37 14.679 -4.057 -7.546 1.00 0.00 O ATOM 582 CB GLN A 37 16.416 -6.151 -9.109 1.00 0.00 C ATOM 583 CG GLN A 37 17.166 -7.383 -8.624 1.00 0.00 C ATOM 584 CD GLN A 37 18.632 -7.379 -9.003 1.00 0.00 C ATOM 585 OE1 GLN A 37 19.247 -6.326 -9.159 1.00 0.00 O ATOM 586 NE2 GLN A 37 19.205 -8.565 -9.137 1.00 0.00 N ATOM 0 H GLN A 37 14.549 -7.107 -10.507 1.00 0.00 H new ATOM 0 HA GLN A 37 14.878 -6.609 -7.700 1.00 0.00 H new ATOM 0 HB2 GLN A 37 16.473 -6.102 -10.196 1.00 0.00 H new ATOM 0 HB3 GLN A 37 16.907 -5.257 -8.723 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.078 -7.450 -7.540 1.00 0.00 H new ATOM 0 HG3 GLN A 37 16.693 -8.274 -9.037 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.658 -9.414 -8.999 1.00 0.00 H new ATOM 0 HE22 GLN A 37 20.194 -8.629 -9.379 1.00 0.00 H new ATOM 595 N THR A 38 13.729 -4.231 -9.564 1.00 0.00 N ATOM 596 CA THR A 38 13.111 -2.915 -9.485 1.00 0.00 C ATOM 597 C THR A 38 11.893 -2.988 -8.575 1.00 0.00 C ATOM 598 O THR A 38 11.565 -2.044 -7.854 1.00 0.00 O ATOM 599 CB THR A 38 12.716 -2.396 -10.880 1.00 0.00 C ATOM 600 OG1 THR A 38 13.876 -2.377 -11.721 1.00 0.00 O ATOM 601 CG2 THR A 38 12.125 -0.994 -10.804 1.00 0.00 C ATOM 0 H THR A 38 13.565 -4.727 -10.440 1.00 0.00 H new ATOM 0 HA THR A 38 13.834 -2.212 -9.071 1.00 0.00 H new ATOM 0 HB THR A 38 11.958 -3.063 -11.292 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.977 -3.248 -12.158 1.00 0.00 H new ATOM 0 HG21 THR A 38 11.857 -0.657 -11.805 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.235 -1.008 -10.175 1.00 0.00 H new ATOM 0 HG23 THR A 38 12.860 -0.312 -10.377 1.00 0.00 H new ATOM 609 N PHE A 39 11.244 -4.140 -8.602 1.00 0.00 N ATOM 610 CA PHE A 39 10.158 -4.436 -7.688 1.00 0.00 C ATOM 611 C PHE A 39 10.730 -4.646 -6.285 1.00 0.00 C ATOM 612 O PHE A 39 10.120 -4.281 -5.281 1.00 0.00 O ATOM 613 CB PHE A 39 9.429 -5.689 -8.175 1.00 0.00 C ATOM 614 CG PHE A 39 8.076 -5.905 -7.558 1.00 0.00 C ATOM 615 CD1 PHE A 39 6.978 -5.178 -7.992 1.00 0.00 C ATOM 616 CD2 PHE A 39 7.897 -6.840 -6.549 1.00 0.00 C ATOM 617 CE1 PHE A 39 5.730 -5.380 -7.433 1.00 0.00 C ATOM 618 CE2 PHE A 39 6.651 -7.045 -5.989 1.00 0.00 C ATOM 619 CZ PHE A 39 5.567 -6.313 -6.430 1.00 0.00 C ATOM 0 H PHE A 39 11.456 -4.893 -9.257 1.00 0.00 H new ATOM 0 HA PHE A 39 9.448 -3.609 -7.653 1.00 0.00 H new ATOM 0 HB2 PHE A 39 9.315 -5.629 -9.257 1.00 0.00 H new ATOM 0 HB3 PHE A 39 10.052 -6.559 -7.968 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.099 -4.445 -8.776 1.00 0.00 H new ATOM 0 HD2 PHE A 39 8.741 -7.414 -6.197 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.883 -4.808 -7.781 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.525 -7.778 -5.206 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.593 -6.470 -5.991 1.00 0.00 H new ATOM 629 N ASN A 40 11.925 -5.223 -6.242 1.00 0.00 N ATOM 630 CA ASN A 40 12.621 -5.501 -4.991 1.00 0.00 C ATOM 631 C ASN A 40 13.062 -4.211 -4.303 1.00 0.00 C ATOM 632 O ASN A 40 12.986 -4.102 -3.084 1.00 0.00 O ATOM 633 CB ASN A 40 13.833 -6.402 -5.254 1.00 0.00 C ATOM 634 CG ASN A 40 14.568 -6.820 -3.988 1.00 0.00 C ATOM 635 OD1 ASN A 40 15.782 -7.007 -4.001 1.00 0.00 O ATOM 636 ND2 ASN A 40 13.839 -6.988 -2.893 1.00 0.00 N ATOM 0 H ASN A 40 12.439 -5.512 -7.074 1.00 0.00 H new ATOM 0 HA ASN A 40 11.928 -6.016 -4.325 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.503 -7.295 -5.784 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.528 -5.880 -5.912 1.00 0.00 H new ATOM 0 HD21 ASN A 40 14.285 -7.282 -2.024 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.833 -6.823 -2.920 1.00 0.00 H new ATOM 643 N THR A 41 13.508 -3.231 -5.085 1.00 0.00 N ATOM 644 CA THR A 41 13.917 -1.947 -4.529 1.00 0.00 C ATOM 645 C THR A 41 12.734 -1.217 -3.892 1.00 0.00 C ATOM 646 O THR A 41 12.913 -0.394 -2.993 1.00 0.00 O ATOM 647 CB THR A 41 14.584 -1.058 -5.598 1.00 0.00 C ATOM 648 OG1 THR A 41 13.968 -1.275 -6.875 1.00 0.00 O ATOM 649 CG2 THR A 41 16.078 -1.352 -5.690 1.00 0.00 C ATOM 0 H THR A 41 13.595 -3.302 -6.099 1.00 0.00 H new ATOM 0 HA THR A 41 14.652 -2.152 -3.751 1.00 0.00 H new ATOM 0 HB THR A 41 14.451 -0.016 -5.307 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.016 -1.470 -6.750 1.00 0.00 H new ATOM 0 HG21 THR A 41 16.528 -0.714 -6.450 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.548 -1.155 -4.726 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.227 -2.398 -5.959 1.00 0.00 H new ATOM 657 N TRP A 42 11.527 -1.531 -4.353 1.00 0.00 N ATOM 658 CA TRP A 42 10.317 -1.006 -3.737 1.00 0.00 C ATOM 659 C TRP A 42 10.055 -1.720 -2.412 1.00 0.00 C ATOM 660 O TRP A 42 9.644 -1.102 -1.433 1.00 0.00 O ATOM 661 CB TRP A 42 9.115 -1.179 -4.669 1.00 0.00 C ATOM 662 CG TRP A 42 9.222 -0.396 -5.942 1.00 0.00 C ATOM 663 CD1 TRP A 42 10.007 0.697 -6.169 1.00 0.00 C ATOM 664 CD2 TRP A 42 8.510 -0.639 -7.161 1.00 0.00 C ATOM 665 NE1 TRP A 42 9.829 1.149 -7.452 1.00 0.00 N ATOM 666 CE2 TRP A 42 8.912 0.349 -8.083 1.00 0.00 C ATOM 667 CE3 TRP A 42 7.566 -1.589 -7.563 1.00 0.00 C ATOM 668 CZ2 TRP A 42 8.409 0.404 -9.378 1.00 0.00 C ATOM 669 CZ3 TRP A 42 7.070 -1.533 -8.851 1.00 0.00 C ATOM 670 CH2 TRP A 42 7.488 -0.538 -9.745 1.00 0.00 C ATOM 0 H TRP A 42 11.363 -2.146 -5.150 1.00 0.00 H new ATOM 0 HA TRP A 42 10.459 0.059 -3.551 1.00 0.00 H new ATOM 0 HB2 TRP A 42 9.004 -2.236 -4.911 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.211 -0.876 -4.141 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.672 1.142 -5.444 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.302 1.951 -7.869 1.00 0.00 H new ATOM 0 HE3 TRP A 42 7.230 -2.354 -6.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.735 1.165 -10.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.348 -2.268 -9.174 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.075 -0.515 -10.743 1.00 0.00 H new ATOM 681 N CYS A 43 10.318 -3.022 -2.396 1.00 0.00 N ATOM 682 CA CYS A 43 10.184 -3.843 -1.192 1.00 0.00 C ATOM 683 C CYS A 43 11.208 -3.423 -0.136 1.00 0.00 C ATOM 684 O CYS A 43 10.979 -3.572 1.065 1.00 0.00 O ATOM 685 CB CYS A 43 10.367 -5.320 -1.564 1.00 0.00 C ATOM 686 SG CYS A 43 10.242 -6.483 -0.185 1.00 0.00 S ATOM 0 H CYS A 43 10.631 -3.541 -3.217 1.00 0.00 H new ATOM 0 HA CYS A 43 9.190 -3.699 -0.769 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.619 -5.585 -2.311 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.343 -5.442 -2.033 1.00 0.00 H new ATOM 0 HG CYS A 43 9.016 -6.902 -0.081 1.00 0.00 H new ATOM 692 N LYS A 44 12.333 -2.890 -0.595 1.00 0.00 N ATOM 693 CA LYS A 44 13.379 -2.403 0.288 1.00 0.00 C ATOM 694 C LYS A 44 13.100 -0.974 0.747 1.00 0.00 C ATOM 695 O LYS A 44 13.826 -0.429 1.575 1.00 0.00 O ATOM 696 CB LYS A 44 14.726 -2.473 -0.428 1.00 0.00 C ATOM 697 CG LYS A 44 15.343 -3.861 -0.442 1.00 0.00 C ATOM 698 CD LYS A 44 15.720 -4.309 0.962 1.00 0.00 C ATOM 699 CE LYS A 44 16.346 -5.692 0.960 1.00 0.00 C ATOM 700 NZ LYS A 44 16.762 -6.120 2.322 1.00 0.00 N ATOM 0 H LYS A 44 12.544 -2.784 -1.587 1.00 0.00 H new ATOM 0 HA LYS A 44 13.403 -3.037 1.174 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.599 -2.132 -1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.419 -1.783 0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.639 -4.571 -0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.229 -3.862 -1.077 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.418 -3.594 1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.832 -4.312 1.594 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.633 -6.411 0.556 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.212 -5.696 0.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.184 -7.069 2.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.462 -5.449 2.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.932 -6.142 2.948 1.00 0.00 H new ATOM 714 N GLY A 45 12.043 -0.375 0.206 1.00 0.00 N ATOM 715 CA GLY A 45 11.695 0.987 0.566 1.00 0.00 C ATOM 716 C GLY A 45 12.731 1.995 0.113 1.00 0.00 C ATOM 717 O GLY A 45 12.948 3.015 0.769 1.00 0.00 O ATOM 0 H GLY A 45 11.421 -0.810 -0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.731 1.240 0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.578 1.054 1.648 1.00 0.00 H new ATOM 721 N ILE A 46 13.379 1.713 -1.007 1.00 0.00 N ATOM 722 CA ILE A 46 14.417 2.593 -1.522 1.00 0.00 C ATOM 723 C ILE A 46 13.812 3.702 -2.381 1.00 0.00 C ATOM 724 O ILE A 46 14.320 4.826 -2.417 1.00 0.00 O ATOM 725 CB ILE A 46 15.467 1.804 -2.340 1.00 0.00 C ATOM 726 CG1 ILE A 46 16.121 0.732 -1.457 1.00 0.00 C ATOM 727 CG2 ILE A 46 16.525 2.739 -2.913 1.00 0.00 C ATOM 728 CD1 ILE A 46 17.153 -0.108 -2.175 1.00 0.00 C ATOM 0 H ILE A 46 13.205 0.884 -1.575 1.00 0.00 H new ATOM 0 HA ILE A 46 14.918 3.045 -0.666 1.00 0.00 H new ATOM 0 HB ILE A 46 14.961 1.317 -3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.593 1.217 -0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.344 0.077 -1.063 1.00 0.00 H new ATOM 0 HG21 ILE A 46 17.251 2.160 -3.484 1.00 0.00 H new ATOM 0 HG22 ILE A 46 16.049 3.470 -3.567 1.00 0.00 H new ATOM 0 HG23 ILE A 46 17.032 3.257 -2.099 1.00 0.00 H new ATOM 0 HD11 ILE A 46 17.569 -0.842 -1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 46 16.684 -0.623 -3.013 1.00 0.00 H new ATOM 0 HD13 ILE A 46 17.951 0.535 -2.546 1.00 0.00 H new ATOM 740 N ALA A 47 12.713 3.387 -3.055 1.00 0.00 N ATOM 741 CA ALA A 47 12.059 4.354 -3.924 1.00 0.00 C ATOM 742 C ALA A 47 10.578 4.046 -4.086 1.00 0.00 C ATOM 743 O ALA A 47 10.161 2.890 -4.021 1.00 0.00 O ATOM 744 CB ALA A 47 12.741 4.387 -5.287 1.00 0.00 C ATOM 0 H ALA A 47 12.259 2.475 -3.017 1.00 0.00 H new ATOM 0 HA ALA A 47 12.148 5.334 -3.456 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.241 5.115 -5.926 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.786 4.670 -5.164 1.00 0.00 H new ATOM 0 HB3 ALA A 47 12.684 3.400 -5.747 1.00 0.00 H new ATOM 750 N ILE A 48 9.792 5.094 -4.265 1.00 0.00 N ATOM 751 CA ILE A 48 8.383 4.963 -4.594 1.00 0.00 C ATOM 752 C ILE A 48 8.189 5.201 -6.086 1.00 0.00 C ATOM 753 O ILE A 48 8.709 6.176 -6.632 1.00 0.00 O ATOM 754 CB ILE A 48 7.514 5.967 -3.794 1.00 0.00 C ATOM 755 CG1 ILE A 48 7.541 5.629 -2.301 1.00 0.00 C ATOM 756 CG2 ILE A 48 6.075 5.974 -4.302 1.00 0.00 C ATOM 757 CD1 ILE A 48 6.795 6.625 -1.440 1.00 0.00 C ATOM 0 H ILE A 48 10.113 6.059 -4.186 1.00 0.00 H new ATOM 0 HA ILE A 48 8.065 3.955 -4.327 1.00 0.00 H new ATOM 0 HB ILE A 48 7.934 6.962 -3.939 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.109 4.639 -2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.577 5.578 -1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.488 6.687 -3.723 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.062 6.262 -5.353 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.646 4.978 -4.193 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.857 6.321 -0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.240 7.613 -1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.750 6.660 -1.746 1.00 0.00 H new ATOM 769 N PRO A 49 7.469 4.302 -6.771 1.00 0.00 N ATOM 770 CA PRO A 49 7.167 4.453 -8.196 1.00 0.00 C ATOM 771 C PRO A 49 6.237 5.637 -8.453 1.00 0.00 C ATOM 772 O PRO A 49 5.574 6.135 -7.538 1.00 0.00 O ATOM 773 CB PRO A 49 6.484 3.130 -8.556 1.00 0.00 C ATOM 774 CG PRO A 49 5.920 2.636 -7.270 1.00 0.00 C ATOM 775 CD PRO A 49 6.892 3.069 -6.210 1.00 0.00 C ATOM 0 HA PRO A 49 8.056 4.654 -8.793 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.702 3.277 -9.301 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.195 2.419 -8.976 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.930 3.055 -7.089 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.810 1.552 -7.281 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.395 3.253 -5.258 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.655 2.312 -6.029 1.00 0.00 H new ATOM 783 N ARG A 50 6.192 6.091 -9.697 1.00 0.00 N ATOM 784 CA ARG A 50 5.379 7.242 -10.052 1.00 0.00 C ATOM 785 C ARG A 50 3.931 6.800 -10.283 1.00 0.00 C ATOM 786 O ARG A 50 3.661 5.600 -10.390 1.00 0.00 O ATOM 787 CB ARG A 50 5.972 7.933 -11.285 1.00 0.00 C ATOM 788 CG ARG A 50 5.570 9.391 -11.426 1.00 0.00 C ATOM 789 CD ARG A 50 6.506 10.139 -12.366 1.00 0.00 C ATOM 790 NE ARG A 50 6.148 11.553 -12.485 1.00 0.00 N ATOM 791 CZ ARG A 50 6.853 12.553 -11.952 1.00 0.00 C ATOM 792 NH1 ARG A 50 7.961 12.306 -11.265 1.00 0.00 N ATOM 793 NH2 ARG A 50 6.448 13.803 -12.111 1.00 0.00 N ATOM 0 H ARG A 50 6.708 5.680 -10.475 1.00 0.00 H new ATOM 0 HA ARG A 50 5.378 7.965 -9.236 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.059 7.869 -11.238 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.659 7.392 -12.178 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.549 9.453 -11.802 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.579 9.868 -10.446 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.530 10.054 -12.002 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.478 9.674 -13.351 1.00 0.00 H new ATOM 0 HE ARG A 50 5.305 11.789 -13.009 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.280 11.345 -11.141 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.493 13.077 -10.861 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.599 14.000 -12.640 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.985 14.569 -11.704 1.00 0.00 H new ATOM 807 N MET A 51 3.010 7.766 -10.356 1.00 0.00 N ATOM 808 CA MET A 51 1.565 7.487 -10.375 1.00 0.00 C ATOM 809 C MET A 51 1.171 6.438 -11.417 1.00 0.00 C ATOM 810 O MET A 51 0.291 5.612 -11.165 1.00 0.00 O ATOM 811 CB MET A 51 0.763 8.773 -10.614 1.00 0.00 C ATOM 812 CG MET A 51 0.998 9.415 -11.973 1.00 0.00 C ATOM 813 SD MET A 51 -0.082 10.827 -12.271 1.00 0.00 S ATOM 814 CE MET A 51 0.439 11.948 -10.973 1.00 0.00 C ATOM 0 H MET A 51 3.240 8.759 -10.403 1.00 0.00 H new ATOM 0 HA MET A 51 1.325 7.079 -9.393 1.00 0.00 H new ATOM 0 HB2 MET A 51 -0.299 8.550 -10.510 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.015 9.494 -9.836 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.037 9.736 -12.044 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.840 8.671 -12.754 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.063 12.949 -11.184 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.044 11.606 -10.016 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.528 11.972 -10.928 1.00 0.00 H new ATOM 824 N GLY A 52 1.829 6.457 -12.572 1.00 0.00 N ATOM 825 CA GLY A 52 1.493 5.528 -13.633 1.00 0.00 C ATOM 826 C GLY A 52 1.782 4.088 -13.255 1.00 0.00 C ATOM 827 O GLY A 52 1.040 3.179 -13.630 1.00 0.00 O ATOM 0 H GLY A 52 2.590 7.100 -12.791 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.436 5.631 -13.881 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.057 5.785 -14.530 1.00 0.00 H new ATOM 831 N LYS A 53 2.849 3.879 -12.496 1.00 0.00 N ATOM 832 CA LYS A 53 3.239 2.536 -12.092 1.00 0.00 C ATOM 833 C LYS A 53 2.482 2.125 -10.831 1.00 0.00 C ATOM 834 O LYS A 53 2.153 0.954 -10.647 1.00 0.00 O ATOM 835 CB LYS A 53 4.751 2.460 -11.848 1.00 0.00 C ATOM 836 CG LYS A 53 5.325 1.051 -11.954 1.00 0.00 C ATOM 837 CD LYS A 53 5.831 0.747 -13.365 1.00 0.00 C ATOM 838 CE LYS A 53 4.717 0.755 -14.406 1.00 0.00 C ATOM 839 NZ LYS A 53 5.246 0.571 -15.785 1.00 0.00 N ATOM 0 H LYS A 53 3.458 4.620 -12.149 1.00 0.00 H new ATOM 0 HA LYS A 53 2.986 1.848 -12.898 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.258 3.103 -12.568 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.969 2.857 -10.857 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.143 0.938 -11.243 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.560 0.325 -11.678 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.586 1.483 -13.642 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.319 -0.228 -13.369 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.004 -0.039 -14.181 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.173 1.698 -14.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.458 0.582 -16.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.907 1.342 -16.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.743 -0.340 -15.847 1.00 0.00 H new ATOM 853 N VAL A 54 2.198 3.105 -9.975 1.00 0.00 N ATOM 854 CA VAL A 54 1.430 2.864 -8.760 1.00 0.00 C ATOM 855 C VAL A 54 0.025 2.384 -9.107 1.00 0.00 C ATOM 856 O VAL A 54 -0.512 1.481 -8.461 1.00 0.00 O ATOM 857 CB VAL A 54 1.337 4.135 -7.882 1.00 0.00 C ATOM 858 CG1 VAL A 54 0.479 3.881 -6.650 1.00 0.00 C ATOM 859 CG2 VAL A 54 2.721 4.607 -7.470 1.00 0.00 C ATOM 0 H VAL A 54 2.490 4.074 -10.103 1.00 0.00 H new ATOM 0 HA VAL A 54 1.952 2.093 -8.193 1.00 0.00 H new ATOM 0 HB VAL A 54 0.866 4.918 -8.475 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.428 4.789 -6.048 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.526 3.594 -6.959 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.920 3.078 -6.059 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.632 5.502 -6.854 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.219 3.822 -6.901 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.307 4.837 -8.360 1.00 0.00 H new ATOM 869 N GLN A 55 -0.556 2.974 -10.149 1.00 0.00 N ATOM 870 CA GLN A 55 -1.885 2.588 -10.598 1.00 0.00 C ATOM 871 C GLN A 55 -1.911 1.114 -10.991 1.00 0.00 C ATOM 872 O GLN A 55 -2.881 0.418 -10.720 1.00 0.00 O ATOM 873 CB GLN A 55 -2.328 3.461 -11.775 1.00 0.00 C ATOM 874 CG GLN A 55 -3.728 3.143 -12.285 1.00 0.00 C ATOM 875 CD GLN A 55 -4.796 3.296 -11.215 1.00 0.00 C ATOM 876 OE1 GLN A 55 -5.362 4.374 -11.035 1.00 0.00 O ATOM 877 NE2 GLN A 55 -5.085 2.215 -10.505 1.00 0.00 N ATOM 0 H GLN A 55 -0.125 3.720 -10.696 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.582 2.738 -9.774 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.291 4.508 -11.473 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.617 3.340 -12.593 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.962 3.801 -13.122 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.747 2.122 -12.667 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.593 1.340 -10.685 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.800 2.258 -9.778 1.00 0.00 H new ATOM 886 N ALA A 56 -0.835 0.642 -11.607 1.00 0.00 N ATOM 887 CA ALA A 56 -0.735 -0.759 -11.998 1.00 0.00 C ATOM 888 C ALA A 56 -0.696 -1.661 -10.767 1.00 0.00 C ATOM 889 O ALA A 56 -1.353 -2.701 -10.726 1.00 0.00 O ATOM 890 CB ALA A 56 0.496 -0.982 -12.862 1.00 0.00 C ATOM 0 H ALA A 56 -0.020 1.207 -11.847 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.619 -1.017 -12.582 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.556 -2.033 -13.145 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.427 -0.367 -13.760 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.389 -0.706 -12.301 1.00 0.00 H new ATOM 896 N LEU A 57 0.061 -1.242 -9.761 1.00 0.00 N ATOM 897 CA LEU A 57 0.155 -1.980 -8.510 1.00 0.00 C ATOM 898 C LEU A 57 -1.200 -2.033 -7.812 1.00 0.00 C ATOM 899 O LEU A 57 -1.673 -3.102 -7.424 1.00 0.00 O ATOM 900 CB LEU A 57 1.175 -1.314 -7.587 1.00 0.00 C ATOM 901 CG LEU A 57 2.609 -1.249 -8.121 1.00 0.00 C ATOM 902 CD1 LEU A 57 3.488 -0.417 -7.200 1.00 0.00 C ATOM 903 CD2 LEU A 57 3.185 -2.648 -8.272 1.00 0.00 C ATOM 0 H LEU A 57 0.621 -0.390 -9.789 1.00 0.00 H new ATOM 0 HA LEU A 57 0.475 -2.997 -8.736 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.839 -0.299 -7.376 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.184 -1.850 -6.638 1.00 0.00 H new ATOM 0 HG LEU A 57 2.586 -0.773 -9.101 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.502 -0.384 -7.597 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.090 0.596 -7.135 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.502 -0.866 -6.207 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.204 -2.583 -8.652 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.191 -3.146 -7.302 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.573 -3.220 -8.970 1.00 0.00 H new ATOM 915 N ALA A 58 -1.823 -0.871 -7.671 1.00 0.00 N ATOM 916 CA ALA A 58 -3.108 -0.764 -7.000 1.00 0.00 C ATOM 917 C ALA A 58 -4.211 -1.459 -7.795 1.00 0.00 C ATOM 918 O ALA A 58 -5.206 -1.898 -7.228 1.00 0.00 O ATOM 919 CB ALA A 58 -3.459 0.699 -6.772 1.00 0.00 C ATOM 0 H ALA A 58 -1.455 0.016 -8.016 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.028 -1.265 -6.035 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.423 0.768 -6.269 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.693 1.165 -6.153 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.513 1.214 -7.731 1.00 0.00 H new ATOM 925 N ASP A 59 -4.027 -1.564 -9.102 1.00 0.00 N ATOM 926 CA ASP A 59 -5.023 -2.190 -9.964 1.00 0.00 C ATOM 927 C ASP A 59 -4.973 -3.704 -9.824 1.00 0.00 C ATOM 928 O ASP A 59 -6.009 -4.363 -9.748 1.00 0.00 O ATOM 929 CB ASP A 59 -4.798 -1.795 -11.427 1.00 0.00 C ATOM 930 CG ASP A 59 -5.952 -2.189 -12.328 1.00 0.00 C ATOM 931 OD1 ASP A 59 -6.881 -1.375 -12.492 1.00 0.00 O ATOM 932 OD2 ASP A 59 -5.925 -3.301 -12.895 1.00 0.00 O ATOM 0 H ASP A 59 -3.198 -1.225 -9.591 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.007 -1.838 -9.654 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.647 -0.717 -11.488 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.884 -2.266 -11.789 1.00 0.00 H new ATOM 937 N TYR A 60 -3.760 -4.245 -9.763 1.00 0.00 N ATOM 938 CA TYR A 60 -3.560 -5.684 -9.622 1.00 0.00 C ATOM 939 C TYR A 60 -4.265 -6.208 -8.378 1.00 0.00 C ATOM 940 O TYR A 60 -4.942 -7.237 -8.421 1.00 0.00 O ATOM 941 CB TYR A 60 -2.068 -6.012 -9.548 1.00 0.00 C ATOM 942 CG TYR A 60 -1.779 -7.496 -9.447 1.00 0.00 C ATOM 943 CD1 TYR A 60 -1.854 -8.313 -10.569 1.00 0.00 C ATOM 944 CD2 TYR A 60 -1.438 -8.077 -8.233 1.00 0.00 C ATOM 945 CE1 TYR A 60 -1.595 -9.667 -10.482 1.00 0.00 C ATOM 946 CE2 TYR A 60 -1.176 -9.432 -8.139 1.00 0.00 C ATOM 947 CZ TYR A 60 -1.257 -10.222 -9.266 1.00 0.00 C ATOM 948 OH TYR A 60 -1.004 -11.575 -9.175 1.00 0.00 O ATOM 0 H TYR A 60 -2.896 -3.705 -9.809 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.988 -6.171 -10.498 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.572 -5.613 -10.433 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.635 -5.506 -8.685 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.119 -7.883 -11.523 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.376 -7.461 -7.348 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.657 -10.289 -11.363 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.909 -9.869 -7.188 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.779 -11.804 -8.249 1.00 0.00 H new ATOM 958 N PHE A 61 -4.113 -5.486 -7.279 1.00 0.00 N ATOM 959 CA PHE A 61 -4.728 -5.875 -6.021 1.00 0.00 C ATOM 960 C PHE A 61 -6.139 -5.309 -5.926 1.00 0.00 C ATOM 961 O PHE A 61 -6.879 -5.615 -4.993 1.00 0.00 O ATOM 962 CB PHE A 61 -3.890 -5.383 -4.839 1.00 0.00 C ATOM 963 CG PHE A 61 -2.521 -6.004 -4.751 1.00 0.00 C ATOM 964 CD1 PHE A 61 -2.354 -7.268 -4.208 1.00 0.00 C ATOM 965 CD2 PHE A 61 -1.406 -5.321 -5.208 1.00 0.00 C ATOM 966 CE1 PHE A 61 -1.097 -7.840 -4.122 1.00 0.00 C ATOM 967 CE2 PHE A 61 -0.148 -5.887 -5.125 1.00 0.00 C ATOM 968 CZ PHE A 61 0.008 -7.147 -4.580 1.00 0.00 C ATOM 0 H PHE A 61 -3.567 -4.625 -7.233 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.778 -6.963 -5.986 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.782 -4.301 -4.911 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.430 -5.589 -3.915 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.214 -7.813 -3.848 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.521 -4.335 -5.634 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.979 -8.826 -3.698 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.713 -5.344 -5.486 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.991 -7.589 -4.512 1.00 0.00 H new ATOM 978 N ASN A 62 -6.492 -4.487 -6.913 1.00 0.00 N ATOM 979 CA ASN A 62 -7.778 -3.791 -6.959 1.00 0.00 C ATOM 980 C ASN A 62 -8.047 -3.054 -5.649 1.00 0.00 C ATOM 981 O ASN A 62 -8.955 -3.399 -4.891 1.00 0.00 O ATOM 982 CB ASN A 62 -8.925 -4.753 -7.284 1.00 0.00 C ATOM 983 CG ASN A 62 -10.253 -4.034 -7.453 1.00 0.00 C ATOM 984 OD1 ASN A 62 -10.301 -2.882 -7.892 1.00 0.00 O ATOM 985 ND2 ASN A 62 -11.341 -4.706 -7.103 1.00 0.00 N ATOM 0 H ASN A 62 -5.889 -4.283 -7.710 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.724 -3.055 -7.761 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.691 -5.298 -8.199 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -9.013 -5.491 -6.487 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -12.260 -4.272 -7.193 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -11.259 -5.657 -6.744 1.00 0.00 H new ATOM 992 N ILE A 63 -7.228 -2.054 -5.380 1.00 0.00 N ATOM 993 CA ILE A 63 -7.369 -1.239 -4.183 1.00 0.00 C ATOM 994 C ILE A 63 -7.217 0.234 -4.532 1.00 0.00 C ATOM 995 O ILE A 63 -6.960 0.585 -5.688 1.00 0.00 O ATOM 996 CB ILE A 63 -6.328 -1.616 -3.099 1.00 0.00 C ATOM 997 CG1 ILE A 63 -4.908 -1.586 -3.684 1.00 0.00 C ATOM 998 CG2 ILE A 63 -6.639 -2.983 -2.506 1.00 0.00 C ATOM 999 CD1 ILE A 63 -3.826 -1.892 -2.672 1.00 0.00 C ATOM 0 H ILE A 63 -6.449 -1.783 -5.981 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.364 -1.428 -3.779 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.384 -0.879 -2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.845 -2.307 -4.499 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.723 -0.602 -4.114 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.896 -3.228 -1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.630 -2.966 -2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.615 -3.736 -3.294 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.851 -1.852 -3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.861 -1.156 -1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.985 -2.888 -2.259 1.00 0.00 H new ATOM 1011 N ASN A 64 -7.382 1.094 -3.539 1.00 0.00 N ATOM 1012 CA ASN A 64 -7.218 2.526 -3.735 1.00 0.00 C ATOM 1013 C ASN A 64 -5.803 2.941 -3.365 1.00 0.00 C ATOM 1014 O ASN A 64 -5.135 2.261 -2.582 1.00 0.00 O ATOM 1015 CB ASN A 64 -8.235 3.319 -2.901 1.00 0.00 C ATOM 1016 CG ASN A 64 -9.653 3.238 -3.449 1.00 0.00 C ATOM 1017 OD1 ASN A 64 -10.051 2.238 -4.052 1.00 0.00 O ATOM 1018 ND2 ASN A 64 -10.422 4.300 -3.247 1.00 0.00 N ATOM 0 H ASN A 64 -7.630 0.824 -2.587 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.396 2.749 -4.787 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.226 2.945 -1.877 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.927 4.364 -2.861 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.381 4.309 -3.595 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.055 5.107 -2.743 1.00 0.00 H new ATOM 1025 N LYS A 65 -5.347 4.053 -3.926 1.00 0.00 N ATOM 1026 CA LYS A 65 -4.005 4.558 -3.659 1.00 0.00 C ATOM 1027 C LYS A 65 -3.800 4.816 -2.170 1.00 0.00 C ATOM 1028 O LYS A 65 -2.694 4.683 -1.655 1.00 0.00 O ATOM 1029 CB LYS A 65 -3.730 5.828 -4.484 1.00 0.00 C ATOM 1030 CG LYS A 65 -4.721 6.970 -4.267 1.00 0.00 C ATOM 1031 CD LYS A 65 -4.329 7.862 -3.094 1.00 0.00 C ATOM 1032 CE LYS A 65 -5.294 9.025 -2.941 1.00 0.00 C ATOM 1033 NZ LYS A 65 -4.875 9.967 -1.867 1.00 0.00 N ATOM 0 H LYS A 65 -5.889 4.626 -4.572 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.289 3.794 -3.962 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.729 6.187 -4.246 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.731 5.563 -5.541 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.782 7.572 -5.174 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.714 6.557 -4.091 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.315 7.275 -2.176 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.319 8.242 -3.245 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.364 9.563 -3.886 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.290 8.642 -2.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.563 10.744 -1.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.833 9.462 -0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.936 10.354 -2.092 1.00 0.00 H new ATOM 1047 N SER A 66 -4.880 5.160 -1.484 1.00 0.00 N ATOM 1048 CA SER A 66 -4.828 5.471 -0.064 1.00 0.00 C ATOM 1049 C SER A 66 -4.465 4.243 0.776 1.00 0.00 C ATOM 1050 O SER A 66 -4.057 4.380 1.927 1.00 0.00 O ATOM 1051 CB SER A 66 -6.170 6.047 0.382 1.00 0.00 C ATOM 1052 OG SER A 66 -6.537 7.140 -0.442 1.00 0.00 O ATOM 0 H SER A 66 -5.812 5.231 -1.893 1.00 0.00 H new ATOM 0 HA SER A 66 -4.043 6.211 0.093 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.938 5.275 0.336 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.106 6.372 1.421 1.00 0.00 H new ATOM 0 HG SER A 66 -7.400 7.498 -0.146 1.00 0.00 H new ATOM 1058 N ASP A 67 -4.618 3.048 0.205 1.00 0.00 N ATOM 1059 CA ASP A 67 -4.233 1.816 0.898 1.00 0.00 C ATOM 1060 C ASP A 67 -2.718 1.681 0.947 1.00 0.00 C ATOM 1061 O ASP A 67 -2.158 1.152 1.905 1.00 0.00 O ATOM 1062 CB ASP A 67 -4.826 0.579 0.209 1.00 0.00 C ATOM 1063 CG ASP A 67 -6.256 0.299 0.621 1.00 0.00 C ATOM 1064 OD1 ASP A 67 -7.180 0.919 0.055 1.00 0.00 O ATOM 1065 OD2 ASP A 67 -6.465 -0.552 1.517 1.00 0.00 O ATOM 0 H ASP A 67 -5.003 2.906 -0.729 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.628 1.877 1.912 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.786 0.718 -0.871 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.210 -0.290 0.442 1.00 0.00 H new ATOM 1070 N LEU A 68 -2.062 2.156 -0.103 1.00 0.00 N ATOM 1071 CA LEU A 68 -0.615 2.048 -0.213 1.00 0.00 C ATOM 1072 C LEU A 68 0.079 3.302 0.308 1.00 0.00 C ATOM 1073 O LEU A 68 1.072 3.215 1.027 1.00 0.00 O ATOM 1074 CB LEU A 68 -0.213 1.802 -1.670 1.00 0.00 C ATOM 1075 CG LEU A 68 -0.777 0.527 -2.301 1.00 0.00 C ATOM 1076 CD1 LEU A 68 -0.339 0.411 -3.754 1.00 0.00 C ATOM 1077 CD2 LEU A 68 -0.341 -0.696 -1.510 1.00 0.00 C ATOM 0 H LEU A 68 -2.511 2.621 -0.892 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.298 1.204 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.535 2.655 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.875 1.765 -1.728 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.865 0.582 -2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.750 -0.502 -4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.703 1.273 -4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.749 0.379 -3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.751 -1.594 -1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.747 -0.756 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.706 -0.616 -0.486 1.00 0.00 H new ATOM 1089 N ILE A 69 -0.455 4.464 -0.054 1.00 0.00 N ATOM 1090 CA ILE A 69 0.176 5.737 0.278 1.00 0.00 C ATOM 1091 C ILE A 69 -0.081 6.123 1.729 1.00 0.00 C ATOM 1092 O ILE A 69 0.846 6.449 2.471 1.00 0.00 O ATOM 1093 CB ILE A 69 -0.337 6.876 -0.639 1.00 0.00 C ATOM 1094 CG1 ILE A 69 -0.125 6.527 -2.116 1.00 0.00 C ATOM 1095 CG2 ILE A 69 0.357 8.190 -0.300 1.00 0.00 C ATOM 1096 CD1 ILE A 69 1.332 6.430 -2.524 1.00 0.00 C ATOM 0 H ILE A 69 -1.325 4.551 -0.579 1.00 0.00 H new ATOM 0 HA ILE A 69 1.247 5.604 0.125 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.407 6.992 -0.466 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.615 5.577 -2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.614 7.282 -2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.016 8.978 -0.954 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.152 8.453 0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.432 8.080 -0.441 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.397 6.180 -3.583 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.824 7.386 -2.346 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.823 5.654 -1.937 1.00 0.00 H new