USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 697 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 71 HIS : no HD1:sc= -1.45 K(o=-2.1,f=-1.5) USER MOD Set 1.2: B 13 SER OG : rot 130:sc= -0.609 USER MOD Set 2.1: A 16 ASN : amide:sc= 0.238 K(o=0.36,f=-4!) USER MOD Set 2.2: A 17 SER OG : rot 180:sc= 0.118 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0.831 K(o=0.83,f=-7.3!) USER MOD Single : A 21 SER OG : rot -40:sc= 1.19 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 29:sc= 0.00316 USER MOD Single : A 29 SER OG : rot 12:sc= 0.479 USER MOD Single : A 32 HIS : no HD1:sc= 0.591 K(o=0.59,f=-4.4!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.0185 X(o=-0.018,f=-0.51) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00167) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0662 USER MOD Single : A 72 LYS NZ :NH3+ -169:sc= 1.2 (180deg=1.17) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 77 THR OG1 : rot -83:sc= 1.23 USER MOD Single : A 80 ASN : amide:sc= -0.0872 K(o=-0.087,f=-1.3!) USER MOD Single : A 81 THR OG1 : rot -87:sc= 1.06 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 86 HIS : no HD1:sc= 0.211 K(o=0.21,f=-4.4!) USER MOD Single : A 91 LYS NZ :NH3+ 176:sc= 0.937 (180deg=0.919) USER MOD Single : B 11 GLN : amide:sc= 0.0536 K(o=0.054,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 4 -12.812 5.563 -10.656 1.00 0.00 N ATOM 54 CA GLY A 4 -11.577 5.050 -10.150 1.00 0.00 C ATOM 55 C GLY A 4 -10.456 5.222 -11.117 1.00 0.00 C ATOM 56 O GLY A 4 -10.106 4.277 -11.821 1.00 0.00 O ATOM 0 HA2 GLY A 4 -11.330 5.557 -9.217 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.694 3.992 -9.917 1.00 0.00 H new ATOM 60 N ASP A 5 -9.847 6.419 -11.190 1.00 0.00 N ATOM 61 CA ASP A 5 -8.743 6.686 -12.060 1.00 0.00 C ATOM 62 C ASP A 5 -7.462 6.047 -11.649 1.00 0.00 C ATOM 63 O ASP A 5 -7.092 5.986 -10.478 1.00 0.00 O ATOM 64 CB ASP A 5 -8.552 8.172 -12.403 1.00 0.00 C ATOM 65 CG ASP A 5 -8.826 9.160 -11.278 1.00 0.00 C ATOM 66 OD1 ASP A 5 -10.018 9.302 -10.897 1.00 0.00 O ATOM 67 OD2 ASP A 5 -7.887 9.874 -10.834 1.00 0.00 O ATOM 0 H ASP A 5 -10.129 7.223 -10.629 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.041 6.194 -12.986 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.527 8.316 -12.744 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.204 8.417 -13.241 1.00 0.00 H new ATOM 72 N ILE A 6 -6.740 5.506 -12.647 1.00 0.00 N ATOM 73 CA ILE A 6 -5.476 4.851 -12.517 1.00 0.00 C ATOM 74 C ILE A 6 -4.397 5.873 -12.632 1.00 0.00 C ATOM 75 O ILE A 6 -4.492 6.802 -13.431 1.00 0.00 O ATOM 76 CB ILE A 6 -5.298 3.780 -13.552 1.00 0.00 C ATOM 77 CG1 ILE A 6 -6.282 2.609 -13.386 1.00 0.00 C ATOM 78 CG2 ILE A 6 -3.882 3.181 -13.519 1.00 0.00 C ATOM 79 CD1 ILE A 6 -7.681 2.805 -13.967 1.00 0.00 C ATOM 0 H ILE A 6 -7.065 5.529 -13.614 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.429 4.363 -11.543 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.486 4.285 -14.500 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.842 1.726 -13.848 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.382 2.396 -12.322 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.795 2.409 -14.284 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.150 3.966 -13.711 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.695 2.743 -12.539 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.279 1.912 -13.786 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.156 3.662 -13.490 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.608 2.981 -15.040 1.00 0.00 H new ATOM 91 N PHE A 7 -3.328 5.756 -11.823 1.00 0.00 N ATOM 92 CA PHE A 7 -2.206 6.642 -11.865 1.00 0.00 C ATOM 93 C PHE A 7 -1.022 6.019 -11.208 1.00 0.00 C ATOM 94 O PHE A 7 -1.148 5.051 -10.460 1.00 0.00 O ATOM 95 CB PHE A 7 -2.501 8.053 -11.331 1.00 0.00 C ATOM 96 CG PHE A 7 -2.871 8.176 -9.892 1.00 0.00 C ATOM 97 CD1 PHE A 7 -3.907 7.470 -9.329 1.00 0.00 C ATOM 98 CD2 PHE A 7 -2.185 9.069 -9.103 1.00 0.00 C ATOM 99 CE1 PHE A 7 -4.196 7.583 -7.989 1.00 0.00 C ATOM 100 CE2 PHE A 7 -2.489 9.222 -7.770 1.00 0.00 C ATOM 101 CZ PHE A 7 -3.486 8.462 -7.206 1.00 0.00 C ATOM 0 H PHE A 7 -3.242 5.023 -11.119 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.971 6.796 -12.918 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.621 8.671 -11.507 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.311 8.476 -11.925 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.503 6.816 -9.948 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.393 9.661 -9.538 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.980 6.982 -7.552 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.946 9.937 -7.169 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.710 8.555 -6.154 1.00 0.00 H new ATOM 111 N GLU A 8 0.191 6.534 -11.475 1.00 0.00 N ATOM 112 CA GLU A 8 1.397 6.127 -10.819 1.00 0.00 C ATOM 113 C GLU A 8 1.955 7.280 -10.060 1.00 0.00 C ATOM 114 O GLU A 8 2.111 8.377 -10.594 1.00 0.00 O ATOM 115 CB GLU A 8 2.461 5.594 -11.793 1.00 0.00 C ATOM 116 CG GLU A 8 2.084 4.236 -12.389 1.00 0.00 C ATOM 117 CD GLU A 8 3.125 3.643 -13.328 1.00 0.00 C ATOM 118 OE1 GLU A 8 3.084 3.973 -14.543 1.00 0.00 O ATOM 119 OE2 GLU A 8 3.984 2.833 -12.886 1.00 0.00 O ATOM 0 H GLU A 8 0.339 7.262 -12.174 1.00 0.00 H new ATOM 0 HA GLU A 8 1.139 5.307 -10.149 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.604 6.314 -12.599 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.414 5.506 -11.272 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.907 3.534 -11.575 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.144 4.340 -12.930 1.00 0.00 H new ATOM 126 N VAL A 9 2.247 7.084 -8.761 1.00 0.00 N ATOM 127 CA VAL A 9 2.926 8.039 -7.941 1.00 0.00 C ATOM 128 C VAL A 9 4.344 7.644 -7.712 1.00 0.00 C ATOM 129 O VAL A 9 4.666 6.516 -7.341 1.00 0.00 O ATOM 130 CB VAL A 9 2.254 8.361 -6.640 1.00 0.00 C ATOM 131 CG1 VAL A 9 0.927 9.075 -6.949 1.00 0.00 C ATOM 132 CG2 VAL A 9 2.014 7.105 -5.784 1.00 0.00 C ATOM 0 H VAL A 9 2.001 6.228 -8.264 1.00 0.00 H new ATOM 0 HA VAL A 9 2.889 8.963 -8.518 1.00 0.00 H new ATOM 0 HB VAL A 9 2.906 9.009 -6.054 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.419 9.319 -6.016 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.128 9.991 -7.504 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.292 8.421 -7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.525 7.388 -4.852 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.378 6.408 -6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.969 6.628 -5.563 1.00 0.00 H new ATOM 142 N GLU A 10 5.269 8.600 -7.905 1.00 0.00 N ATOM 143 CA GLU A 10 6.674 8.406 -7.723 1.00 0.00 C ATOM 144 C GLU A 10 7.167 9.281 -6.623 1.00 0.00 C ATOM 145 O GLU A 10 6.981 10.497 -6.614 1.00 0.00 O ATOM 146 CB GLU A 10 7.425 8.651 -9.043 1.00 0.00 C ATOM 147 CG GLU A 10 7.104 9.979 -9.730 1.00 0.00 C ATOM 148 CD GLU A 10 7.745 10.035 -11.110 1.00 0.00 C ATOM 149 OE1 GLU A 10 9.001 9.976 -11.197 1.00 0.00 O ATOM 150 OE2 GLU A 10 7.006 10.143 -12.124 1.00 0.00 O ATOM 0 H GLU A 10 5.029 9.546 -8.200 1.00 0.00 H new ATOM 0 HA GLU A 10 6.865 7.373 -7.434 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.497 8.610 -8.847 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.195 7.838 -9.731 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.024 10.097 -9.819 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.466 10.807 -9.121 1.00 0.00 H new ATOM 157 N LEU A 11 7.794 8.673 -5.600 1.00 0.00 N ATOM 158 CA LEU A 11 8.369 9.366 -4.490 1.00 0.00 C ATOM 159 C LEU A 11 9.710 8.763 -4.247 1.00 0.00 C ATOM 160 O LEU A 11 10.038 7.710 -4.792 1.00 0.00 O ATOM 161 CB LEU A 11 7.423 9.259 -3.282 1.00 0.00 C ATOM 162 CG LEU A 11 7.663 10.202 -2.091 1.00 0.00 C ATOM 163 CD1 LEU A 11 7.685 11.686 -2.498 1.00 0.00 C ATOM 164 CD2 LEU A 11 6.575 9.982 -1.027 1.00 0.00 C ATOM 0 H LEU A 11 7.904 7.661 -5.544 1.00 0.00 H new ATOM 0 HA LEU A 11 8.500 10.431 -4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.406 9.424 -3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.469 8.235 -2.912 1.00 0.00 H new ATOM 0 HG LEU A 11 8.647 9.961 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.858 12.303 -1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.484 11.853 -3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.729 11.955 -2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.749 10.652 -0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.596 10.189 -1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.608 8.949 -0.681 1.00 0.00 H new ATOM 176 N ALA A 12 10.559 9.389 -3.412 1.00 0.00 N ATOM 177 CA ALA A 12 11.781 8.798 -2.965 1.00 0.00 C ATOM 178 C ALA A 12 11.781 8.897 -1.478 1.00 0.00 C ATOM 179 O ALA A 12 11.034 9.691 -0.906 1.00 0.00 O ATOM 180 CB ALA A 12 13.003 9.515 -3.564 1.00 0.00 C ATOM 0 H ALA A 12 10.393 10.324 -3.040 1.00 0.00 H new ATOM 0 HA ALA A 12 11.848 7.760 -3.289 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.916 9.041 -3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.966 9.451 -4.651 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.995 10.562 -3.262 1.00 0.00 H new ATOM 186 N LYS A 13 12.600 8.089 -0.782 1.00 0.00 N ATOM 187 CA LYS A 13 12.667 8.103 0.646 1.00 0.00 C ATOM 188 C LYS A 13 13.321 9.348 1.139 1.00 0.00 C ATOM 189 O LYS A 13 14.532 9.530 1.031 1.00 0.00 O ATOM 190 CB LYS A 13 13.366 6.848 1.196 1.00 0.00 C ATOM 191 CG LYS A 13 13.061 6.536 2.663 1.00 0.00 C ATOM 192 CD LYS A 13 13.985 5.471 3.255 1.00 0.00 C ATOM 193 CE LYS A 13 13.413 4.766 4.486 1.00 0.00 C ATOM 194 NZ LYS A 13 12.770 3.483 4.125 1.00 0.00 N ATOM 0 H LYS A 13 13.227 7.414 -1.219 1.00 0.00 H new ATOM 0 HA LYS A 13 11.644 8.091 1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.075 5.991 0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.443 6.969 1.081 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.149 7.451 3.249 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.028 6.200 2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 13 14.201 4.726 2.490 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.934 5.936 3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.211 4.585 5.206 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.685 5.415 4.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.393 3.031 4.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.993 3.660 3.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.471 2.856 3.683 1.00 0.00 H new ATOM 208 N ASN A 14 12.498 10.284 1.647 1.00 0.00 N ATOM 209 CA ASN A 14 12.836 11.646 1.920 1.00 0.00 C ATOM 210 C ASN A 14 13.099 11.808 3.377 1.00 0.00 C ATOM 211 O ASN A 14 14.204 11.544 3.849 1.00 0.00 O ATOM 212 CB ASN A 14 11.786 12.607 1.336 1.00 0.00 C ATOM 213 CG ASN A 14 10.345 12.292 1.709 1.00 0.00 C ATOM 214 OD1 ASN A 14 9.817 12.826 2.682 1.00 0.00 O ATOM 215 ND2 ASN A 14 9.683 11.376 0.951 1.00 0.00 N ATOM 0 H ASN A 14 11.529 10.072 1.883 1.00 0.00 H new ATOM 0 HA ASN A 14 13.761 11.919 1.412 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.018 13.619 1.668 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.874 12.600 0.250 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.725 11.117 1.185 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.145 10.948 0.149 1.00 0.00 H new ATOM 222 N ASP A 15 12.093 12.198 4.181 1.00 0.00 N ATOM 223 CA ASP A 15 12.136 12.141 5.609 1.00 0.00 C ATOM 224 C ASP A 15 12.021 10.720 6.045 1.00 0.00 C ATOM 225 O ASP A 15 12.800 10.209 6.849 1.00 0.00 O ATOM 226 CB ASP A 15 10.995 12.992 6.190 1.00 0.00 C ATOM 227 CG ASP A 15 11.485 13.713 7.438 1.00 0.00 C ATOM 228 OD1 ASP A 15 12.437 14.528 7.307 1.00 0.00 O ATOM 229 OD2 ASP A 15 10.926 13.487 8.545 1.00 0.00 O ATOM 0 H ASP A 15 11.214 12.568 3.821 1.00 0.00 H new ATOM 0 HA ASP A 15 13.082 12.542 5.975 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.653 13.715 5.450 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.142 12.358 6.434 1.00 0.00 H new ATOM 234 N ASN A 16 11.039 10.011 5.461 1.00 0.00 N ATOM 235 CA ASN A 16 10.915 8.588 5.530 1.00 0.00 C ATOM 236 C ASN A 16 10.304 8.194 4.230 1.00 0.00 C ATOM 237 O ASN A 16 10.471 8.906 3.241 1.00 0.00 O ATOM 238 CB ASN A 16 10.117 8.176 6.778 1.00 0.00 C ATOM 239 CG ASN A 16 10.620 6.842 7.312 1.00 0.00 C ATOM 240 OD1 ASN A 16 10.597 5.831 6.611 1.00 0.00 O ATOM 241 ND2 ASN A 16 11.125 6.835 8.574 1.00 0.00 N ATOM 0 H ASN A 16 10.297 10.450 4.916 1.00 0.00 H new ATOM 0 HA ASN A 16 11.864 8.067 5.653 1.00 0.00 H new ATOM 0 HB2 ASN A 16 10.212 8.942 7.548 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.058 8.101 6.532 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.501 5.973 8.968 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.128 7.692 9.127 1.00 0.00 H new ATOM 248 N SER A 17 9.579 7.065 4.137 1.00 0.00 N ATOM 249 CA SER A 17 8.910 6.661 2.939 1.00 0.00 C ATOM 250 C SER A 17 7.584 7.327 2.807 1.00 0.00 C ATOM 251 O SER A 17 7.494 8.408 2.227 1.00 0.00 O ATOM 252 CB SER A 17 8.793 5.132 2.818 1.00 0.00 C ATOM 253 OG SER A 17 8.286 4.557 4.013 1.00 0.00 O ATOM 0 H SER A 17 9.455 6.416 4.914 1.00 0.00 H new ATOM 0 HA SER A 17 9.530 6.990 2.105 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.138 4.880 1.984 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.771 4.707 2.594 1.00 0.00 H new ATOM 0 HG SER A 17 8.221 3.585 3.906 1.00 0.00 H new ATOM 259 N LEU A 18 6.489 6.730 3.310 1.00 0.00 N ATOM 260 CA LEU A 18 5.167 7.236 3.115 1.00 0.00 C ATOM 261 C LEU A 18 4.634 7.966 4.300 1.00 0.00 C ATOM 262 O LEU A 18 4.715 9.190 4.390 1.00 0.00 O ATOM 263 CB LEU A 18 4.205 6.122 2.670 1.00 0.00 C ATOM 264 CG LEU A 18 4.572 5.460 1.331 1.00 0.00 C ATOM 265 CD1 LEU A 18 3.583 4.326 1.015 1.00 0.00 C ATOM 266 CD2 LEU A 18 4.600 6.452 0.157 1.00 0.00 C ATOM 0 H LEU A 18 6.524 5.875 3.865 1.00 0.00 H new ATOM 0 HA LEU A 18 5.239 7.971 2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.175 5.355 3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.200 6.537 2.593 1.00 0.00 H new ATOM 0 HG LEU A 18 5.581 5.065 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.851 3.864 0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.622 3.578 1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.573 4.732 0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.865 5.924 -0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.616 6.907 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.338 7.229 0.355 1.00 0.00 H new ATOM 278 N GLY A 19 4.043 7.249 5.273 1.00 0.00 N ATOM 279 CA GLY A 19 3.285 7.793 6.357 1.00 0.00 C ATOM 280 C GLY A 19 1.830 7.529 6.176 1.00 0.00 C ATOM 281 O GLY A 19 0.992 8.397 6.415 1.00 0.00 O ATOM 0 H GLY A 19 4.098 6.231 5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.623 7.357 7.297 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.458 8.867 6.423 1.00 0.00 H new ATOM 285 N ILE A 20 1.463 6.306 5.752 1.00 0.00 N ATOM 286 CA ILE A 20 0.108 5.960 5.454 1.00 0.00 C ATOM 287 C ILE A 20 -0.212 4.634 6.055 1.00 0.00 C ATOM 288 O ILE A 20 0.663 3.801 6.283 1.00 0.00 O ATOM 289 CB ILE A 20 -0.161 6.032 3.981 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.649 6.241 3.657 1.00 0.00 C ATOM 291 CG2 ILE A 20 0.406 4.816 3.231 1.00 0.00 C ATOM 292 CD1 ILE A 20 -1.892 6.640 2.201 1.00 0.00 C ATOM 0 H ILE A 20 2.123 5.541 5.613 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.565 6.689 5.905 1.00 0.00 H new ATOM 0 HB ILE A 20 0.367 6.916 3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.195 5.322 3.872 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.053 7.013 4.312 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.188 4.910 2.167 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.485 4.769 3.377 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.052 3.905 3.616 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.961 6.773 2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.372 7.574 1.988 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.516 5.857 1.542 1.00 0.00 H new ATOM 304 N SER A 21 -1.493 4.385 6.382 1.00 0.00 N ATOM 305 CA SER A 21 -1.905 3.234 7.123 1.00 0.00 C ATOM 306 C SER A 21 -2.906 2.424 6.373 1.00 0.00 C ATOM 307 O SER A 21 -3.624 2.914 5.503 1.00 0.00 O ATOM 308 CB SER A 21 -2.456 3.590 8.514 1.00 0.00 C ATOM 309 OG SER A 21 -3.639 4.374 8.452 1.00 0.00 O ATOM 0 H SER A 21 -2.263 5.002 6.124 1.00 0.00 H new ATOM 0 HA SER A 21 -1.005 2.636 7.265 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.662 2.672 9.064 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.694 4.133 9.074 1.00 0.00 H new ATOM 0 HG SER A 21 -3.554 5.038 7.736 1.00 0.00 H new ATOM 315 N VAL A 22 -2.946 1.117 6.687 1.00 0.00 N ATOM 316 CA VAL A 22 -3.585 0.103 5.908 1.00 0.00 C ATOM 317 C VAL A 22 -4.511 -0.670 6.784 1.00 0.00 C ATOM 318 O VAL A 22 -4.400 -0.647 8.009 1.00 0.00 O ATOM 319 CB VAL A 22 -2.503 -0.724 5.282 1.00 0.00 C ATOM 320 CG1 VAL A 22 -2.831 -2.195 4.971 1.00 0.00 C ATOM 321 CG2 VAL A 22 -2.071 -0.009 3.991 1.00 0.00 C ATOM 0 H VAL A 22 -2.508 0.748 7.531 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.200 0.508 5.105 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.716 -0.797 6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.961 -2.675 4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.094 -2.712 5.894 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.670 -2.242 4.277 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.282 -0.582 3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.925 0.076 3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.700 0.987 4.233 1.00 0.00 H new ATOM 331 N THR A 23 -5.493 -1.366 6.184 1.00 0.00 N ATOM 332 CA THR A 23 -6.347 -2.277 6.880 1.00 0.00 C ATOM 333 C THR A 23 -6.520 -3.485 6.027 1.00 0.00 C ATOM 334 O THR A 23 -6.549 -3.405 4.800 1.00 0.00 O ATOM 335 CB THR A 23 -7.659 -1.658 7.264 1.00 0.00 C ATOM 336 OG1 THR A 23 -8.427 -2.504 8.107 1.00 0.00 O ATOM 337 CG2 THR A 23 -8.516 -1.301 6.039 1.00 0.00 C ATOM 0 H THR A 23 -5.699 -1.293 5.188 1.00 0.00 H new ATOM 0 HA THR A 23 -5.884 -2.558 7.826 1.00 0.00 H new ATOM 0 HB THR A 23 -7.396 -0.748 7.803 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.271 -2.061 8.333 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.455 -0.856 6.369 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.978 -0.589 5.413 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.724 -2.204 5.465 1.00 0.00 H new ATOM 345 N GLY A 24 -6.567 -4.676 6.649 1.00 0.00 N ATOM 346 CA GLY A 24 -6.663 -5.951 6.008 1.00 0.00 C ATOM 347 C GLY A 24 -5.500 -6.311 5.149 1.00 0.00 C ATOM 348 O GLY A 24 -4.366 -5.917 5.415 1.00 0.00 O ATOM 0 H GLY A 24 -6.536 -4.753 7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.782 -6.718 6.773 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.566 -5.967 5.397 1.00 0.00 H new ATOM 352 N GLY A 25 -5.761 -7.094 4.087 1.00 0.00 N ATOM 353 CA GLY A 25 -4.859 -7.310 2.999 1.00 0.00 C ATOM 354 C GLY A 25 -4.037 -8.550 3.085 1.00 0.00 C ATOM 355 O GLY A 25 -2.888 -8.579 2.646 1.00 0.00 O ATOM 0 H GLY A 25 -6.641 -7.599 3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.434 -7.339 2.073 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.188 -6.454 2.931 1.00 0.00 H new ATOM 359 N VAL A 26 -4.604 -9.630 3.650 1.00 0.00 N ATOM 360 CA VAL A 26 -3.913 -10.864 3.865 1.00 0.00 C ATOM 361 C VAL A 26 -4.098 -11.793 2.715 1.00 0.00 C ATOM 362 O VAL A 26 -3.336 -11.777 1.750 1.00 0.00 O ATOM 363 CB VAL A 26 -4.243 -11.518 5.174 1.00 0.00 C ATOM 364 CG1 VAL A 26 -3.091 -12.458 5.566 1.00 0.00 C ATOM 365 CG2 VAL A 26 -4.448 -10.462 6.273 1.00 0.00 C ATOM 0 H VAL A 26 -5.573 -9.646 3.967 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.854 -10.612 3.928 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.168 -12.084 5.067 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.321 -12.939 6.517 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.964 -13.219 4.796 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.170 -11.884 5.663 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.686 -10.958 7.214 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.535 -9.878 6.391 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.268 -9.800 5.994 1.00 0.00 H new ATOM 375 N ASN A 27 -5.118 -12.669 2.764 1.00 0.00 N ATOM 376 CA ASN A 27 -5.342 -13.712 1.813 1.00 0.00 C ATOM 377 C ASN A 27 -6.362 -13.284 0.814 1.00 0.00 C ATOM 378 O ASN A 27 -6.119 -13.369 -0.389 1.00 0.00 O ATOM 379 CB ASN A 27 -5.730 -15.032 2.502 1.00 0.00 C ATOM 380 CG ASN A 27 -4.633 -15.482 3.455 1.00 0.00 C ATOM 381 OD1 ASN A 27 -3.627 -16.047 3.027 1.00 0.00 O ATOM 382 ND2 ASN A 27 -4.811 -15.261 4.786 1.00 0.00 N ATOM 0 H ASN A 27 -5.820 -12.648 3.503 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.409 -13.902 1.283 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.664 -14.902 3.049 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.905 -15.802 1.751 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.102 -15.566 5.453 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.653 -14.791 5.117 1.00 0.00 H new ATOM 389 N THR A 28 -7.534 -12.786 1.247 1.00 0.00 N ATOM 390 CA THR A 28 -8.528 -12.268 0.360 1.00 0.00 C ATOM 391 C THR A 28 -9.319 -11.191 1.021 1.00 0.00 C ATOM 392 O THR A 28 -9.779 -11.344 2.151 1.00 0.00 O ATOM 393 CB THR A 28 -9.408 -13.325 -0.241 1.00 0.00 C ATOM 394 OG1 THR A 28 -10.273 -12.817 -1.246 1.00 0.00 O ATOM 395 CG2 THR A 28 -10.282 -14.054 0.794 1.00 0.00 C ATOM 0 H THR A 28 -7.796 -12.742 2.232 1.00 0.00 H new ATOM 0 HA THR A 28 -7.993 -11.831 -0.483 1.00 0.00 H new ATOM 0 HB THR A 28 -8.700 -14.029 -0.679 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.856 -12.041 -1.675 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.892 -14.804 0.291 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.643 -14.541 1.531 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.930 -13.335 1.294 1.00 0.00 H new ATOM 403 N SER A 29 -9.494 -10.043 0.344 1.00 0.00 N ATOM 404 CA SER A 29 -10.299 -8.953 0.801 1.00 0.00 C ATOM 405 C SER A 29 -10.781 -8.137 -0.349 1.00 0.00 C ATOM 406 O SER A 29 -11.955 -8.188 -0.713 1.00 0.00 O ATOM 407 CB SER A 29 -9.634 -7.978 1.787 1.00 0.00 C ATOM 408 OG SER A 29 -9.408 -8.572 3.058 1.00 0.00 O ATOM 0 H SER A 29 -9.056 -9.866 -0.560 1.00 0.00 H new ATOM 0 HA SER A 29 -11.103 -9.455 1.340 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.685 -7.636 1.373 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.265 -7.097 1.906 1.00 0.00 H new ATOM 0 HG SER A 29 -9.552 -9.539 2.997 1.00 0.00 H new ATOM 414 N VAL A 30 -9.908 -7.327 -0.974 1.00 0.00 N ATOM 415 CA VAL A 30 -10.254 -6.496 -2.085 1.00 0.00 C ATOM 416 C VAL A 30 -10.292 -7.303 -3.337 1.00 0.00 C ATOM 417 O VAL A 30 -11.269 -7.299 -4.085 1.00 0.00 O ATOM 418 CB VAL A 30 -9.414 -5.257 -2.181 1.00 0.00 C ATOM 419 CG1 VAL A 30 -7.898 -5.507 -2.097 1.00 0.00 C ATOM 420 CG2 VAL A 30 -9.756 -4.447 -3.443 1.00 0.00 C ATOM 0 H VAL A 30 -8.929 -7.248 -0.697 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.260 -6.111 -1.920 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.670 -4.675 -1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.368 -4.558 -2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.659 -5.979 -1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.591 -6.162 -2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.130 -3.555 -3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.575 -5.058 -4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.805 -4.153 -3.413 1.00 0.00 H new ATOM 430 N ARG A 31 -9.241 -8.105 -3.582 1.00 0.00 N ATOM 431 CA ARG A 31 -9.238 -9.205 -4.496 1.00 0.00 C ATOM 432 C ARG A 31 -8.627 -10.309 -3.705 1.00 0.00 C ATOM 433 O ARG A 31 -8.557 -10.231 -2.479 1.00 0.00 O ATOM 434 CB ARG A 31 -8.400 -8.873 -5.743 1.00 0.00 C ATOM 435 CG ARG A 31 -8.919 -7.728 -6.616 1.00 0.00 C ATOM 436 CD ARG A 31 -10.041 -8.060 -7.602 1.00 0.00 C ATOM 437 NE ARG A 31 -11.318 -8.244 -6.857 1.00 0.00 N ATOM 438 CZ ARG A 31 -12.463 -8.694 -7.448 1.00 0.00 C ATOM 439 NH1 ARG A 31 -12.522 -9.009 -8.775 1.00 0.00 N ATOM 440 NH2 ARG A 31 -13.591 -8.879 -6.703 1.00 0.00 N ATOM 0 H ARG A 31 -8.343 -7.978 -3.116 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.230 -9.459 -4.870 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.388 -8.628 -5.421 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.330 -9.770 -6.359 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.270 -6.933 -5.958 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.079 -7.326 -7.182 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.146 -7.258 -8.333 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.797 -8.966 -8.156 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.337 -8.024 -5.861 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.692 -8.911 -9.360 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.396 -9.342 -9.182 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.580 -8.681 -5.702 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.446 -9.215 -7.147 1.00 0.00 H new ATOM 454 N HIS A 32 -8.093 -11.361 -4.350 1.00 0.00 N ATOM 455 CA HIS A 32 -7.174 -12.247 -3.702 1.00 0.00 C ATOM 456 C HIS A 32 -5.876 -11.539 -3.516 1.00 0.00 C ATOM 457 O HIS A 32 -5.192 -11.182 -4.475 1.00 0.00 O ATOM 458 CB HIS A 32 -6.991 -13.573 -4.459 1.00 0.00 C ATOM 459 CG HIS A 32 -6.623 -13.432 -5.907 1.00 0.00 C ATOM 460 ND1 HIS A 32 -7.598 -13.481 -6.882 1.00 0.00 N ATOM 461 CD2 HIS A 32 -5.399 -13.264 -6.475 1.00 0.00 C ATOM 462 CE1 HIS A 32 -6.954 -13.349 -8.026 1.00 0.00 C ATOM 463 NE2 HIS A 32 -5.614 -13.207 -7.837 1.00 0.00 N ATOM 0 H HIS A 32 -8.297 -11.599 -5.321 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.586 -12.521 -2.731 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.218 -14.156 -3.958 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.917 -14.145 -4.389 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -4.451 -13.190 -5.964 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -7.432 -13.353 -8.994 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -4.906 -13.083 -8.561 1.00 0.00 H new ATOM 471 N GLY A 33 -5.525 -11.222 -2.257 1.00 0.00 N ATOM 472 CA GLY A 33 -4.458 -10.334 -1.917 1.00 0.00 C ATOM 473 C GLY A 33 -4.724 -8.910 -2.264 1.00 0.00 C ATOM 474 O GLY A 33 -5.780 -8.552 -2.784 1.00 0.00 O ATOM 0 H GLY A 33 -6.006 -11.601 -1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.265 -10.407 -0.847 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.551 -10.659 -2.427 1.00 0.00 H new ATOM 478 N GLY A 34 -3.765 -8.011 -1.980 1.00 0.00 N ATOM 479 CA GLY A 34 -3.901 -6.609 -2.230 1.00 0.00 C ATOM 480 C GLY A 34 -4.243 -5.851 -0.995 1.00 0.00 C ATOM 481 O GLY A 34 -4.711 -6.400 0.001 1.00 0.00 O ATOM 0 H GLY A 34 -2.869 -8.266 -1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.970 -6.223 -2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.676 -6.448 -2.980 1.00 0.00 H new ATOM 485 N ILE A 35 -4.011 -4.526 -1.045 1.00 0.00 N ATOM 486 CA ILE A 35 -3.912 -3.641 0.074 1.00 0.00 C ATOM 487 C ILE A 35 -4.861 -2.513 -0.146 1.00 0.00 C ATOM 488 O ILE A 35 -5.060 -2.063 -1.273 1.00 0.00 O ATOM 489 CB ILE A 35 -2.502 -3.147 0.193 1.00 0.00 C ATOM 490 CG1 ILE A 35 -1.494 -4.275 0.470 1.00 0.00 C ATOM 491 CG2 ILE A 35 -2.347 -2.033 1.243 1.00 0.00 C ATOM 492 CD1 ILE A 35 -1.725 -5.048 1.768 1.00 0.00 C ATOM 0 H ILE A 35 -3.884 -4.040 -1.933 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.168 -4.151 1.002 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.272 -2.724 -0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.521 -4.978 -0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.492 -3.847 0.494 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.305 -1.715 1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.975 -1.185 0.969 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.651 -2.409 2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.963 -5.821 1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.666 -4.364 2.614 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.711 -5.512 1.745 1.00 0.00 H new ATOM 504 N TYR A 36 -5.510 -2.037 0.930 1.00 0.00 N ATOM 505 CA TYR A 36 -6.464 -0.971 0.907 1.00 0.00 C ATOM 506 C TYR A 36 -6.086 0.055 1.919 1.00 0.00 C ATOM 507 O TYR A 36 -5.666 -0.273 3.027 1.00 0.00 O ATOM 508 CB TYR A 36 -7.866 -1.533 1.193 1.00 0.00 C ATOM 509 CG TYR A 36 -8.901 -1.038 0.243 1.00 0.00 C ATOM 510 CD1 TYR A 36 -8.771 -1.292 -1.103 1.00 0.00 C ATOM 511 CD2 TYR A 36 -10.029 -0.397 0.698 1.00 0.00 C ATOM 512 CE1 TYR A 36 -9.753 -0.907 -1.985 1.00 0.00 C ATOM 513 CE2 TYR A 36 -11.017 -0.016 -0.178 1.00 0.00 C ATOM 514 CZ TYR A 36 -10.881 -0.270 -1.522 1.00 0.00 C ATOM 515 OH TYR A 36 -11.897 0.104 -2.427 1.00 0.00 O ATOM 0 H TYR A 36 -5.362 -2.415 1.866 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.473 -0.500 -0.076 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.831 -2.621 1.147 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.157 -1.266 2.209 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -7.890 -1.798 -1.470 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -10.140 -0.191 1.752 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.639 -1.105 -3.041 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.901 0.483 0.190 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.625 0.543 -1.939 1.00 0.00 H new ATOM 525 N VAL A 37 -6.200 1.353 1.584 1.00 0.00 N ATOM 526 CA VAL A 37 -5.827 2.422 2.457 1.00 0.00 C ATOM 527 C VAL A 37 -6.832 2.666 3.530 1.00 0.00 C ATOM 528 O VAL A 37 -8.032 2.763 3.280 1.00 0.00 O ATOM 529 CB VAL A 37 -5.579 3.713 1.736 1.00 0.00 C ATOM 530 CG1 VAL A 37 -5.140 4.848 2.674 1.00 0.00 C ATOM 531 CG2 VAL A 37 -4.469 3.505 0.691 1.00 0.00 C ATOM 0 H VAL A 37 -6.561 1.667 0.683 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.893 2.086 2.908 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.523 4.002 1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.976 5.756 2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.917 5.027 3.417 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.215 4.567 3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.285 4.441 0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.555 3.184 1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.780 2.742 -0.023 1.00 0.00 H new ATOM 541 N LYS A 38 -6.359 2.814 4.781 1.00 0.00 N ATOM 542 CA LYS A 38 -7.158 3.196 5.902 1.00 0.00 C ATOM 543 C LYS A 38 -7.165 4.677 6.069 1.00 0.00 C ATOM 544 O LYS A 38 -8.207 5.313 5.913 1.00 0.00 O ATOM 545 CB LYS A 38 -6.669 2.514 7.191 1.00 0.00 C ATOM 546 CG LYS A 38 -7.496 2.851 8.433 1.00 0.00 C ATOM 547 CD LYS A 38 -7.074 2.084 9.688 1.00 0.00 C ATOM 548 CE LYS A 38 -5.620 2.320 10.103 1.00 0.00 C ATOM 549 NZ LYS A 38 -5.325 1.677 11.403 1.00 0.00 N ATOM 0 H LYS A 38 -5.379 2.661 5.020 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.178 2.865 5.709 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.680 1.434 7.044 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.633 2.801 7.370 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.418 3.920 8.630 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.545 2.640 8.226 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.727 2.370 10.513 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.224 1.018 9.517 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.952 1.924 9.338 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.427 3.391 10.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.333 1.853 11.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.948 2.073 12.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.487 0.652 11.328 1.00 0.00 H new ATOM 563 N ALA A 39 -6.013 5.290 6.391 1.00 0.00 N ATOM 564 CA ALA A 39 -5.918 6.702 6.598 1.00 0.00 C ATOM 565 C ALA A 39 -4.514 7.188 6.486 1.00 0.00 C ATOM 566 O ALA A 39 -3.553 6.430 6.608 1.00 0.00 O ATOM 567 CB ALA A 39 -6.468 7.089 7.981 1.00 0.00 C ATOM 0 H ALA A 39 -5.129 4.795 6.510 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.514 7.173 5.816 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.386 8.167 8.117 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.515 6.793 8.052 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.894 6.581 8.756 1.00 0.00 H new ATOM 573 N VAL A 40 -4.335 8.503 6.267 1.00 0.00 N ATOM 574 CA VAL A 40 -3.067 9.163 6.229 1.00 0.00 C ATOM 575 C VAL A 40 -2.667 9.602 7.596 1.00 0.00 C ATOM 576 O VAL A 40 -3.399 10.294 8.302 1.00 0.00 O ATOM 577 CB VAL A 40 -3.072 10.339 5.298 1.00 0.00 C ATOM 578 CG1 VAL A 40 -1.699 11.032 5.259 1.00 0.00 C ATOM 579 CG2 VAL A 40 -3.439 9.865 3.881 1.00 0.00 C ATOM 0 H VAL A 40 -5.117 9.139 6.108 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.341 8.443 5.852 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.807 11.057 5.662 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.739 11.880 4.575 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.440 11.384 6.258 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.944 10.324 4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.444 10.718 3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.706 9.134 3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.428 9.407 3.895 1.00 0.00 H new ATOM 589 N ILE A 41 -1.465 9.198 8.045 1.00 0.00 N ATOM 590 CA ILE A 41 -0.936 9.486 9.342 1.00 0.00 C ATOM 591 C ILE A 41 -0.318 10.841 9.326 1.00 0.00 C ATOM 592 O ILE A 41 0.408 11.112 8.370 1.00 0.00 O ATOM 593 CB ILE A 41 0.058 8.430 9.727 1.00 0.00 C ATOM 594 CG1 ILE A 41 -0.552 7.019 9.678 1.00 0.00 C ATOM 595 CG2 ILE A 41 0.688 8.686 11.106 1.00 0.00 C ATOM 596 CD1 ILE A 41 -1.758 6.803 10.590 1.00 0.00 C ATOM 0 H ILE A 41 -0.830 8.642 7.473 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.732 9.481 10.086 1.00 0.00 H new ATOM 0 HB ILE A 41 0.852 8.488 8.983 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.849 6.804 8.652 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.220 6.297 9.945 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.399 7.892 11.334 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.206 9.645 11.097 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.094 8.702 11.866 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.116 5.779 10.484 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.468 6.981 11.625 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.553 7.495 10.312 1.00 0.00 H new ATOM 608 N PRO A 42 -0.499 11.749 10.238 1.00 0.00 N ATOM 609 CA PRO A 42 0.002 13.089 10.129 1.00 0.00 C ATOM 610 C PRO A 42 1.449 13.226 10.458 1.00 0.00 C ATOM 611 O PRO A 42 1.849 14.170 11.138 1.00 0.00 O ATOM 612 CB PRO A 42 -0.872 13.879 11.100 1.00 0.00 C ATOM 613 CG PRO A 42 -1.184 12.870 12.217 1.00 0.00 C ATOM 614 CD PRO A 42 -1.352 11.577 11.404 1.00 0.00 C ATOM 0 HA PRO A 42 -0.052 13.447 9.101 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -0.350 14.755 11.486 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.782 14.237 10.619 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.376 12.798 12.945 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.087 13.131 12.768 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.054 10.704 11.985 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.392 11.426 11.113 1.00 0.00 H new ATOM 622 N GLN A 43 2.308 12.307 9.980 1.00 0.00 N ATOM 623 CA GLN A 43 3.651 12.157 10.448 1.00 0.00 C ATOM 624 C GLN A 43 4.496 11.568 9.371 1.00 0.00 C ATOM 625 O GLN A 43 5.228 10.599 9.566 1.00 0.00 O ATOM 626 CB GLN A 43 3.610 11.274 11.706 1.00 0.00 C ATOM 627 CG GLN A 43 4.808 11.383 12.651 1.00 0.00 C ATOM 628 CD GLN A 43 4.492 10.629 13.935 1.00 0.00 C ATOM 629 OE1 GLN A 43 3.435 10.820 14.536 1.00 0.00 O ATOM 630 NE2 GLN A 43 5.422 9.753 14.400 1.00 0.00 N ATOM 0 H GLN A 43 2.059 11.647 9.243 1.00 0.00 H new ATOM 0 HA GLN A 43 4.095 13.119 10.706 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.708 11.520 12.267 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.516 10.235 11.391 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.699 10.968 12.180 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.021 12.429 12.871 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.291 9.611 13.885 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.251 9.238 15.264 1.00 0.00 H new ATOM 639 N GLY A 44 4.401 12.109 8.143 1.00 0.00 N ATOM 640 CA GLY A 44 5.203 11.643 7.055 1.00 0.00 C ATOM 641 C GLY A 44 5.039 12.473 5.829 1.00 0.00 C ATOM 642 O GLY A 44 4.335 13.482 5.810 1.00 0.00 O ATOM 0 H GLY A 44 3.767 12.871 7.903 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.251 11.645 7.354 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.938 10.610 6.829 1.00 0.00 H new ATOM 646 N ALA A 45 5.643 12.008 4.721 1.00 0.00 N ATOM 647 CA ALA A 45 5.587 12.584 3.413 1.00 0.00 C ATOM 648 C ALA A 45 4.226 12.540 2.810 1.00 0.00 C ATOM 649 O ALA A 45 3.839 13.407 2.027 1.00 0.00 O ATOM 650 CB ALA A 45 6.559 11.812 2.506 1.00 0.00 C ATOM 0 H ALA A 45 6.215 11.164 4.743 1.00 0.00 H new ATOM 0 HA ALA A 45 5.860 13.635 3.503 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.533 12.235 1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.570 11.890 2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.264 10.763 2.466 1.00 0.00 H new ATOM 656 N ALA A 46 3.428 11.525 3.188 1.00 0.00 N ATOM 657 CA ALA A 46 2.054 11.356 2.826 1.00 0.00 C ATOM 658 C ALA A 46 1.167 12.464 3.277 1.00 0.00 C ATOM 659 O ALA A 46 0.306 12.919 2.525 1.00 0.00 O ATOM 660 CB ALA A 46 1.542 10.021 3.392 1.00 0.00 C ATOM 0 H ALA A 46 3.766 10.772 3.787 1.00 0.00 H new ATOM 0 HA ALA A 46 2.017 11.363 1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.495 9.888 3.119 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.132 9.202 2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.636 10.026 4.478 1.00 0.00 H new ATOM 666 N GLU A 47 1.361 12.967 4.510 1.00 0.00 N ATOM 667 CA GLU A 47 0.685 14.110 5.041 1.00 0.00 C ATOM 668 C GLU A 47 1.186 15.380 4.443 1.00 0.00 C ATOM 669 O GLU A 47 0.411 16.272 4.103 1.00 0.00 O ATOM 670 CB GLU A 47 0.882 14.160 6.565 1.00 0.00 C ATOM 671 CG GLU A 47 0.392 15.419 7.284 1.00 0.00 C ATOM 672 CD GLU A 47 -1.110 15.657 7.221 1.00 0.00 C ATOM 673 OE1 GLU A 47 -1.899 14.718 6.933 1.00 0.00 O ATOM 674 OE2 GLU A 47 -1.505 16.828 7.466 1.00 0.00 O ATOM 0 H GLU A 47 2.022 12.556 5.169 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.372 14.014 4.794 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.374 13.300 7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.945 14.042 6.774 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.691 15.360 8.331 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.899 16.284 6.856 1.00 0.00 H new ATOM 681 N SER A 48 2.519 15.500 4.312 1.00 0.00 N ATOM 682 CA SER A 48 3.201 16.677 3.870 1.00 0.00 C ATOM 683 C SER A 48 2.858 17.095 2.483 1.00 0.00 C ATOM 684 O SER A 48 2.402 18.218 2.271 1.00 0.00 O ATOM 685 CB SER A 48 4.726 16.548 4.029 1.00 0.00 C ATOM 686 OG SER A 48 5.385 17.797 3.893 1.00 0.00 O ATOM 0 H SER A 48 3.156 14.733 4.527 1.00 0.00 H new ATOM 0 HA SER A 48 2.842 17.469 4.527 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.953 16.123 5.007 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.110 15.853 3.283 1.00 0.00 H new ATOM 0 HG SER A 48 6.351 17.671 4.002 1.00 0.00 H new ATOM 692 N ASP A 49 3.015 16.212 1.480 1.00 0.00 N ATOM 693 CA ASP A 49 2.615 16.499 0.138 1.00 0.00 C ATOM 694 C ASP A 49 1.136 16.410 -0.011 1.00 0.00 C ATOM 695 O ASP A 49 0.476 17.391 -0.352 1.00 0.00 O ATOM 696 CB ASP A 49 3.365 15.576 -0.838 1.00 0.00 C ATOM 697 CG ASP A 49 3.193 15.988 -2.293 1.00 0.00 C ATOM 698 OD1 ASP A 49 3.458 17.179 -2.609 1.00 0.00 O ATOM 699 OD2 ASP A 49 2.809 15.143 -3.145 1.00 0.00 O ATOM 0 H ASP A 49 3.425 15.286 1.603 1.00 0.00 H new ATOM 0 HA ASP A 49 2.885 17.527 -0.106 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.426 15.577 -0.588 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.008 14.554 -0.710 1.00 0.00 H new ATOM 704 N GLY A 50 0.549 15.230 0.257 1.00 0.00 N ATOM 705 CA GLY A 50 -0.866 15.032 0.207 1.00 0.00 C ATOM 706 C GLY A 50 -1.321 14.574 -1.136 1.00 0.00 C ATOM 707 O GLY A 50 -1.701 15.374 -1.990 1.00 0.00 O ATOM 0 H GLY A 50 1.071 14.393 0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.155 14.296 0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.371 15.964 0.462 1.00 0.00 H new ATOM 711 N ARG A 51 -1.307 13.250 -1.377 1.00 0.00 N ATOM 712 CA ARG A 51 -1.407 12.697 -2.691 1.00 0.00 C ATOM 713 C ARG A 51 -2.315 11.516 -2.753 1.00 0.00 C ATOM 714 O ARG A 51 -2.909 11.247 -3.796 1.00 0.00 O ATOM 715 CB ARG A 51 0.004 12.306 -3.163 1.00 0.00 C ATOM 716 CG ARG A 51 0.175 12.081 -4.666 1.00 0.00 C ATOM 717 CD ARG A 51 0.535 13.319 -5.490 1.00 0.00 C ATOM 718 NE ARG A 51 -0.608 14.275 -5.479 1.00 0.00 N ATOM 719 CZ ARG A 51 -0.529 15.561 -5.030 1.00 0.00 C ATOM 720 NH1 ARG A 51 0.585 16.069 -4.425 1.00 0.00 N ATOM 721 NH2 ARG A 51 -1.603 16.393 -5.158 1.00 0.00 N ATOM 0 H ARG A 51 -1.224 12.549 -0.641 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.841 13.453 -3.346 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.698 13.087 -2.852 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.298 11.394 -2.644 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.951 11.330 -4.815 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.752 11.664 -5.059 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.425 13.796 -5.079 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.772 13.031 -6.514 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.508 13.947 -5.830 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.407 15.480 -4.292 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.595 17.038 -4.106 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.463 16.053 -5.589 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.546 17.355 -4.823 1.00 0.00 H new ATOM 735 N ILE A 52 -2.486 10.777 -1.644 1.00 0.00 N ATOM 736 CA ILE A 52 -3.182 9.529 -1.590 1.00 0.00 C ATOM 737 C ILE A 52 -4.213 9.656 -0.521 1.00 0.00 C ATOM 738 O ILE A 52 -3.938 10.203 0.546 1.00 0.00 O ATOM 739 CB ILE A 52 -2.271 8.395 -1.226 1.00 0.00 C ATOM 740 CG1 ILE A 52 -0.979 8.369 -2.059 1.00 0.00 C ATOM 741 CG2 ILE A 52 -3.005 7.047 -1.324 1.00 0.00 C ATOM 742 CD1 ILE A 52 -1.175 8.119 -3.554 1.00 0.00 C ATOM 0 H ILE A 52 -2.119 11.065 -0.737 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.610 9.315 -2.569 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.973 8.562 -0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.463 9.321 -1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.324 7.595 -1.660 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.323 6.241 -1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.855 7.045 -0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.358 6.898 -2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.206 8.119 -4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.659 7.153 -3.701 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.800 8.906 -3.976 1.00 0.00 H new ATOM 754 N HIS A 53 -5.448 9.178 -0.748 1.00 0.00 N ATOM 755 CA HIS A 53 -6.516 9.287 0.197 1.00 0.00 C ATOM 756 C HIS A 53 -7.035 7.959 0.628 1.00 0.00 C ATOM 757 O HIS A 53 -6.645 6.911 0.114 1.00 0.00 O ATOM 758 CB HIS A 53 -7.651 10.180 -0.331 1.00 0.00 C ATOM 759 CG HIS A 53 -8.532 9.596 -1.397 1.00 0.00 C ATOM 760 ND1 HIS A 53 -8.086 9.446 -2.693 1.00 0.00 N ATOM 761 CD2 HIS A 53 -9.820 9.175 -1.288 1.00 0.00 C ATOM 762 CE1 HIS A 53 -9.106 8.931 -3.354 1.00 0.00 C ATOM 763 NE2 HIS A 53 -10.185 8.745 -2.547 1.00 0.00 N ATOM 0 H HIS A 53 -5.712 8.703 -1.611 1.00 0.00 H new ATOM 0 HA HIS A 53 -6.096 9.766 1.081 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -8.281 10.463 0.512 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -7.209 11.097 -0.721 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -10.432 9.177 -0.398 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.086 8.687 -4.406 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -11.090 8.361 -2.820 1.00 0.00 H new ATOM 771 N LYS A 54 -7.915 7.937 1.645 1.00 0.00 N ATOM 772 CA LYS A 54 -8.544 6.750 2.137 1.00 0.00 C ATOM 773 C LYS A 54 -9.345 5.949 1.170 1.00 0.00 C ATOM 774 O LYS A 54 -10.024 6.466 0.284 1.00 0.00 O ATOM 775 CB LYS A 54 -9.345 7.023 3.421 1.00 0.00 C ATOM 776 CG LYS A 54 -10.589 7.898 3.249 1.00 0.00 C ATOM 777 CD LYS A 54 -11.276 8.161 4.590 1.00 0.00 C ATOM 778 CE LYS A 54 -12.570 8.970 4.485 1.00 0.00 C ATOM 779 NZ LYS A 54 -13.649 8.153 3.885 1.00 0.00 N ATOM 0 H LYS A 54 -8.200 8.779 2.145 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.693 6.105 2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.651 6.068 3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.685 7.499 4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.308 8.846 2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.288 7.410 2.570 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.496 7.205 5.066 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.582 8.690 5.243 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.873 9.312 5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.401 9.860 3.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.524 8.714 3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.372 7.862 2.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.811 7.308 4.470 1.00 0.00 H new ATOM 793 N GLY A 55 -9.301 4.613 1.316 1.00 0.00 N ATOM 794 CA GLY A 55 -10.001 3.681 0.486 1.00 0.00 C ATOM 795 C GLY A 55 -9.424 3.432 -0.865 1.00 0.00 C ATOM 796 O GLY A 55 -10.097 2.886 -1.738 1.00 0.00 O ATOM 0 H GLY A 55 -8.752 4.161 2.047 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.057 2.729 1.014 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.024 4.037 0.360 1.00 0.00 H new ATOM 800 N ASP A 56 -8.161 3.829 -1.105 1.00 0.00 N ATOM 801 CA ASP A 56 -7.456 3.629 -2.332 1.00 0.00 C ATOM 802 C ASP A 56 -6.846 2.274 -2.453 1.00 0.00 C ATOM 803 O ASP A 56 -6.613 1.580 -1.464 1.00 0.00 O ATOM 804 CB ASP A 56 -6.462 4.798 -2.426 1.00 0.00 C ATOM 805 CG ASP A 56 -5.848 4.943 -3.810 1.00 0.00 C ATOM 806 OD1 ASP A 56 -4.958 4.109 -4.128 1.00 0.00 O ATOM 807 OD2 ASP A 56 -6.249 5.882 -4.547 1.00 0.00 O ATOM 0 H ASP A 56 -7.603 4.316 -0.404 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.129 3.639 -3.189 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.972 5.724 -2.162 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.667 4.652 -1.695 1.00 0.00 H new ATOM 812 N ARG A 57 -6.560 1.827 -3.689 1.00 0.00 N ATOM 813 CA ARG A 57 -6.118 0.509 -4.022 1.00 0.00 C ATOM 814 C ARG A 57 -4.867 0.535 -4.831 1.00 0.00 C ATOM 815 O ARG A 57 -4.858 0.951 -5.989 1.00 0.00 O ATOM 816 CB ARG A 57 -7.200 -0.187 -4.865 1.00 0.00 C ATOM 817 CG ARG A 57 -6.894 -1.609 -5.342 1.00 0.00 C ATOM 818 CD ARG A 57 -7.770 -2.036 -6.523 1.00 0.00 C ATOM 819 NE ARG A 57 -7.227 -3.332 -7.017 1.00 0.00 N ATOM 820 CZ ARG A 57 -7.025 -3.641 -8.330 1.00 0.00 C ATOM 821 NH1 ARG A 57 -7.425 -2.847 -9.367 1.00 0.00 N ATOM 822 NH2 ARG A 57 -6.378 -4.794 -8.671 1.00 0.00 N ATOM 0 H ARG A 57 -6.644 2.427 -4.509 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.930 -0.021 -3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.120 -0.215 -4.281 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.397 0.430 -5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.845 -1.673 -5.631 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.040 -2.305 -4.516 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.809 -2.146 -6.213 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.750 -1.283 -7.311 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.989 -4.040 -6.323 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.905 -1.967 -9.180 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.244 -3.135 -10.329 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.045 -5.426 -7.943 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.228 -5.023 -9.654 1.00 0.00 H new ATOM 836 N VAL A 58 -3.745 0.026 -4.294 1.00 0.00 N ATOM 837 CA VAL A 58 -2.546 -0.176 -5.048 1.00 0.00 C ATOM 838 C VAL A 58 -2.561 -1.413 -5.877 1.00 0.00 C ATOM 839 O VAL A 58 -3.284 -2.373 -5.614 1.00 0.00 O ATOM 840 CB VAL A 58 -1.309 -0.212 -4.200 1.00 0.00 C ATOM 841 CG1 VAL A 58 -1.053 1.196 -3.634 1.00 0.00 C ATOM 842 CG2 VAL A 58 -1.439 -1.263 -3.086 1.00 0.00 C ATOM 0 H VAL A 58 -3.668 -0.251 -3.315 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.517 0.695 -5.702 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.453 -0.506 -4.808 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.156 1.182 -3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.916 1.899 -4.456 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.905 1.506 -3.029 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.530 -1.270 -2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.291 -1.018 -2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.588 -2.247 -3.530 1.00 0.00 H new ATOM 852 N LEU A 59 -1.723 -1.434 -6.929 1.00 0.00 N ATOM 853 CA LEU A 59 -1.463 -2.564 -7.764 1.00 0.00 C ATOM 854 C LEU A 59 0.000 -2.840 -7.698 1.00 0.00 C ATOM 855 O LEU A 59 0.476 -3.576 -6.835 1.00 0.00 O ATOM 856 CB LEU A 59 -1.887 -2.343 -9.227 1.00 0.00 C ATOM 857 CG LEU A 59 -3.399 -2.344 -9.503 1.00 0.00 C ATOM 858 CD1 LEU A 59 -4.095 -1.017 -9.156 1.00 0.00 C ATOM 859 CD2 LEU A 59 -3.653 -2.662 -10.986 1.00 0.00 C ATOM 0 H LEU A 59 -1.194 -0.609 -7.213 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.052 -3.406 -7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.478 -1.390 -9.562 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.427 -3.119 -9.838 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.825 -3.108 -8.852 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.159 -1.095 -9.378 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.960 -0.802 -8.096 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.659 -0.212 -9.748 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.726 -2.662 -11.180 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.172 -1.907 -11.608 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.241 -3.643 -11.223 1.00 0.00 H new ATOM 871 N ALA A 60 0.818 -2.262 -8.594 1.00 0.00 N ATOM 872 CA ALA A 60 2.174 -2.681 -8.775 1.00 0.00 C ATOM 873 C ALA A 60 3.158 -1.948 -7.930 1.00 0.00 C ATOM 874 O ALA A 60 2.896 -0.853 -7.436 1.00 0.00 O ATOM 875 CB ALA A 60 2.571 -2.588 -10.257 1.00 0.00 C ATOM 0 H ALA A 60 0.536 -1.493 -9.202 1.00 0.00 H new ATOM 0 HA ALA A 60 2.210 -3.719 -8.443 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.605 -2.910 -10.378 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.919 -3.230 -10.849 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.470 -1.557 -10.597 1.00 0.00 H new ATOM 881 N VAL A 61 4.345 -2.549 -7.726 1.00 0.00 N ATOM 882 CA VAL A 61 5.467 -1.997 -7.034 1.00 0.00 C ATOM 883 C VAL A 61 6.539 -1.796 -8.050 1.00 0.00 C ATOM 884 O VAL A 61 7.448 -2.611 -8.203 1.00 0.00 O ATOM 885 CB VAL A 61 5.966 -2.874 -5.924 1.00 0.00 C ATOM 886 CG1 VAL A 61 7.063 -2.165 -5.113 1.00 0.00 C ATOM 887 CG2 VAL A 61 4.815 -3.228 -4.966 1.00 0.00 C ATOM 0 H VAL A 61 4.532 -3.490 -8.071 1.00 0.00 H new ATOM 0 HA VAL A 61 5.169 -1.063 -6.558 1.00 0.00 H new ATOM 0 HB VAL A 61 6.373 -3.778 -6.378 1.00 0.00 H new ATOM 0 HG11 VAL A 61 7.408 -2.822 -4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 61 7.899 -1.921 -5.768 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.661 -1.249 -4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.191 -3.865 -4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.403 -2.314 -4.539 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.035 -3.757 -5.514 1.00 0.00 H new ATOM 897 N ASN A 62 6.452 -0.701 -8.825 1.00 0.00 N ATOM 898 CA ASN A 62 7.354 -0.345 -9.876 1.00 0.00 C ATOM 899 C ASN A 62 7.456 -1.395 -10.929 1.00 0.00 C ATOM 900 O ASN A 62 8.456 -2.098 -11.069 1.00 0.00 O ATOM 901 CB ASN A 62 8.701 0.097 -9.282 1.00 0.00 C ATOM 902 CG ASN A 62 9.635 0.766 -10.280 1.00 0.00 C ATOM 903 OD1 ASN A 62 9.243 1.278 -11.328 1.00 0.00 O ATOM 904 ND2 ASN A 62 10.947 0.768 -9.923 1.00 0.00 N ATOM 0 H ASN A 62 5.702 -0.020 -8.709 1.00 0.00 H new ATOM 0 HA ASN A 62 6.949 0.514 -10.411 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.513 0.786 -8.459 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.202 -0.774 -8.860 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.640 1.203 -10.531 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.238 0.334 -9.047 1.00 0.00 H new ATOM 911 N GLY A 63 6.378 -1.575 -11.712 1.00 0.00 N ATOM 912 CA GLY A 63 6.295 -2.582 -12.723 1.00 0.00 C ATOM 913 C GLY A 63 5.690 -3.866 -12.267 1.00 0.00 C ATOM 914 O GLY A 63 4.721 -4.340 -12.858 1.00 0.00 O ATOM 0 H GLY A 63 5.538 -1.002 -11.639 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.709 -2.195 -13.557 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.297 -2.782 -13.103 1.00 0.00 H new ATOM 918 N VAL A 64 6.235 -4.488 -11.206 1.00 0.00 N ATOM 919 CA VAL A 64 5.864 -5.807 -10.795 1.00 0.00 C ATOM 920 C VAL A 64 4.680 -5.828 -9.890 1.00 0.00 C ATOM 921 O VAL A 64 4.515 -4.998 -8.996 1.00 0.00 O ATOM 922 CB VAL A 64 7.001 -6.581 -10.197 1.00 0.00 C ATOM 923 CG1 VAL A 64 8.034 -6.862 -11.303 1.00 0.00 C ATOM 924 CG2 VAL A 64 7.656 -5.829 -9.026 1.00 0.00 C ATOM 0 H VAL A 64 6.952 -4.063 -10.618 1.00 0.00 H new ATOM 0 HA VAL A 64 5.577 -6.311 -11.718 1.00 0.00 H new ATOM 0 HB VAL A 64 6.615 -7.517 -9.792 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.869 -7.425 -10.886 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.567 -7.442 -12.099 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.399 -5.918 -11.708 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.474 -6.426 -8.623 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.043 -4.873 -9.379 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.915 -5.655 -8.246 1.00 0.00 H new ATOM 934 N SER A 65 3.767 -6.791 -10.105 1.00 0.00 N ATOM 935 CA SER A 65 2.548 -6.938 -9.373 1.00 0.00 C ATOM 936 C SER A 65 2.738 -7.588 -8.045 1.00 0.00 C ATOM 937 O SER A 65 3.680 -8.343 -7.814 1.00 0.00 O ATOM 938 CB SER A 65 1.510 -7.731 -10.185 1.00 0.00 C ATOM 939 OG SER A 65 0.227 -7.785 -9.578 1.00 0.00 O ATOM 0 H SER A 65 3.885 -7.503 -10.826 1.00 0.00 H new ATOM 0 HA SER A 65 2.184 -5.926 -9.195 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.415 -7.282 -11.174 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.876 -8.747 -10.331 1.00 0.00 H new ATOM 0 HG SER A 65 -0.382 -8.301 -10.146 1.00 0.00 H new ATOM 945 N LEU A 66 1.819 -7.328 -7.099 1.00 0.00 N ATOM 946 CA LEU A 66 1.793 -7.906 -5.790 1.00 0.00 C ATOM 947 C LEU A 66 1.095 -9.219 -5.725 1.00 0.00 C ATOM 948 O LEU A 66 0.928 -9.785 -4.645 1.00 0.00 O ATOM 949 CB LEU A 66 1.197 -6.921 -4.770 1.00 0.00 C ATOM 950 CG LEU A 66 -0.151 -6.259 -5.100 1.00 0.00 C ATOM 951 CD1 LEU A 66 -1.372 -7.192 -5.143 1.00 0.00 C ATOM 952 CD2 LEU A 66 -0.429 -5.141 -4.080 1.00 0.00 C ATOM 0 H LEU A 66 1.050 -6.677 -7.256 1.00 0.00 H new ATOM 0 HA LEU A 66 2.833 -8.107 -5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.085 -7.449 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.927 -6.128 -4.608 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.033 -5.887 -6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.264 -6.613 -5.385 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.219 -7.957 -5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.501 -7.668 -4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.384 -4.668 -4.310 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.466 -5.565 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.366 -4.397 -4.130 1.00 0.00 H new ATOM 964 N GLU A 67 0.645 -9.773 -6.866 1.00 0.00 N ATOM 965 CA GLU A 67 -0.146 -10.962 -6.926 1.00 0.00 C ATOM 966 C GLU A 67 0.532 -12.175 -6.392 1.00 0.00 C ATOM 967 O GLU A 67 1.613 -12.568 -6.829 1.00 0.00 O ATOM 968 CB GLU A 67 -0.710 -11.193 -8.339 1.00 0.00 C ATOM 969 CG GLU A 67 -1.880 -12.177 -8.391 1.00 0.00 C ATOM 970 CD GLU A 67 -2.594 -12.251 -9.732 1.00 0.00 C ATOM 971 OE1 GLU A 67 -2.122 -11.674 -10.749 1.00 0.00 O ATOM 972 OE2 GLU A 67 -3.663 -12.916 -9.775 1.00 0.00 O ATOM 0 H GLU A 67 0.841 -9.375 -7.784 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.984 -10.788 -6.251 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.035 -10.237 -8.750 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.089 -11.561 -8.982 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.512 -13.171 -8.136 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.604 -11.899 -7.625 1.00 0.00 H new ATOM 979 N GLY A 68 -0.069 -12.790 -5.357 1.00 0.00 N ATOM 980 CA GLY A 68 0.484 -13.858 -4.584 1.00 0.00 C ATOM 981 C GLY A 68 0.693 -13.494 -3.155 1.00 0.00 C ATOM 982 O GLY A 68 0.475 -14.304 -2.254 1.00 0.00 O ATOM 0 H GLY A 68 -1.001 -12.523 -5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.179 -14.721 -4.640 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.437 -14.159 -5.020 1.00 0.00 H new ATOM 986 N ALA A 69 1.149 -12.259 -2.884 1.00 0.00 N ATOM 987 CA ALA A 69 1.618 -11.835 -1.601 1.00 0.00 C ATOM 988 C ALA A 69 0.579 -11.681 -0.545 1.00 0.00 C ATOM 989 O ALA A 69 -0.526 -11.190 -0.772 1.00 0.00 O ATOM 990 CB ALA A 69 2.367 -10.500 -1.752 1.00 0.00 C ATOM 0 H ALA A 69 1.193 -11.523 -3.589 1.00 0.00 H new ATOM 0 HA ALA A 69 2.263 -12.644 -1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.727 -10.172 -0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.214 -10.632 -2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.692 -9.748 -2.161 1.00 0.00 H new ATOM 996 N THR A 70 0.902 -12.090 0.694 1.00 0.00 N ATOM 997 CA THR A 70 0.109 -11.884 1.866 1.00 0.00 C ATOM 998 C THR A 70 0.488 -10.589 2.498 1.00 0.00 C ATOM 999 O THR A 70 1.322 -9.850 1.978 1.00 0.00 O ATOM 1000 CB THR A 70 0.237 -12.996 2.864 1.00 0.00 C ATOM 1001 OG1 THR A 70 1.535 -13.572 2.837 1.00 0.00 O ATOM 1002 CG2 THR A 70 -0.772 -14.103 2.516 1.00 0.00 C ATOM 0 H THR A 70 1.767 -12.594 0.889 1.00 0.00 H new ATOM 0 HA THR A 70 -0.934 -11.865 1.551 1.00 0.00 H new ATOM 0 HB THR A 70 0.050 -12.579 3.853 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.587 -14.292 3.500 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.684 -14.915 3.238 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.783 -13.697 2.548 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.565 -14.483 1.516 1.00 0.00 H new ATOM 1010 N HIS A 71 -0.128 -10.225 3.637 1.00 0.00 N ATOM 1011 CA HIS A 71 0.012 -8.943 4.255 1.00 0.00 C ATOM 1012 C HIS A 71 1.405 -8.599 4.654 1.00 0.00 C ATOM 1013 O HIS A 71 1.911 -7.546 4.269 1.00 0.00 O ATOM 1014 CB HIS A 71 -0.939 -8.777 5.453 1.00 0.00 C ATOM 1015 CG HIS A 71 -1.063 -7.366 5.946 1.00 0.00 C ATOM 1016 ND1 HIS A 71 -1.159 -6.294 5.082 1.00 0.00 N ATOM 1017 CD2 HIS A 71 -1.140 -6.841 7.199 1.00 0.00 C ATOM 1018 CE1 HIS A 71 -1.263 -5.177 5.850 1.00 0.00 C ATOM 1019 NE2 HIS A 71 -1.256 -5.466 7.138 1.00 0.00 N ATOM 0 H HIS A 71 -0.750 -10.851 4.149 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.267 -8.235 3.475 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.927 -9.140 5.171 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.589 -9.407 6.271 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.114 -7.418 8.112 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.342 -4.175 5.454 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.322 -4.814 7.920 1.00 0.00 H new ATOM 1027 N LYS A 72 2.101 -9.502 5.369 1.00 0.00 N ATOM 1028 CA LYS A 72 3.468 -9.364 5.760 1.00 0.00 C ATOM 1029 C LYS A 72 4.394 -9.095 4.623 1.00 0.00 C ATOM 1030 O LYS A 72 5.264 -8.228 4.676 1.00 0.00 O ATOM 1031 CB LYS A 72 3.915 -10.647 6.482 1.00 0.00 C ATOM 1032 CG LYS A 72 5.359 -10.677 6.988 1.00 0.00 C ATOM 1033 CD LYS A 72 5.648 -9.605 8.040 1.00 0.00 C ATOM 1034 CE LYS A 72 6.807 -9.936 8.984 1.00 0.00 C ATOM 1035 NZ LYS A 72 8.103 -10.008 8.273 1.00 0.00 N ATOM 0 H LYS A 72 1.685 -10.376 5.691 1.00 0.00 H new ATOM 0 HA LYS A 72 3.520 -8.496 6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.252 -10.809 7.332 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.774 -11.488 5.803 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.569 -11.659 7.411 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.036 -10.542 6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.867 -8.666 7.532 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.748 -9.444 8.633 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.865 -9.178 9.766 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.611 -10.888 9.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.823 -10.413 8.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.004 -10.609 7.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.394 -9.052 7.984 1.00 0.00 H new ATOM 1049 N GLN A 73 4.202 -9.817 3.504 1.00 0.00 N ATOM 1050 CA GLN A 73 4.999 -9.691 2.323 1.00 0.00 C ATOM 1051 C GLN A 73 4.744 -8.420 1.590 1.00 0.00 C ATOM 1052 O GLN A 73 5.667 -7.747 1.134 1.00 0.00 O ATOM 1053 CB GLN A 73 4.738 -10.929 1.448 1.00 0.00 C ATOM 1054 CG GLN A 73 5.618 -10.999 0.198 1.00 0.00 C ATOM 1055 CD GLN A 73 5.685 -12.424 -0.330 1.00 0.00 C ATOM 1056 OE1 GLN A 73 4.684 -13.130 -0.435 1.00 0.00 O ATOM 1057 NE2 GLN A 73 6.925 -12.890 -0.639 1.00 0.00 N ATOM 0 H GLN A 73 3.463 -10.515 3.419 1.00 0.00 H new ATOM 0 HA GLN A 73 6.052 -9.645 2.599 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.901 -11.826 2.046 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.691 -10.934 1.145 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.219 -10.339 -0.572 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.622 -10.645 0.433 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.737 -12.281 -0.542 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.042 -13.848 -0.968 1.00 0.00 H new ATOM 1066 N ALA A 74 3.472 -7.995 1.476 1.00 0.00 N ATOM 1067 CA ALA A 74 3.084 -6.766 0.858 1.00 0.00 C ATOM 1068 C ALA A 74 3.584 -5.544 1.551 1.00 0.00 C ATOM 1069 O ALA A 74 4.081 -4.615 0.918 1.00 0.00 O ATOM 1070 CB ALA A 74 1.551 -6.715 0.758 1.00 0.00 C ATOM 0 H ALA A 74 2.681 -8.532 1.830 1.00 0.00 H new ATOM 0 HA ALA A 74 3.547 -6.757 -0.129 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.248 -5.780 0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.197 -7.554 0.159 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.119 -6.775 1.757 1.00 0.00 H new ATOM 1076 N VAL A 75 3.497 -5.474 2.892 1.00 0.00 N ATOM 1077 CA VAL A 75 3.955 -4.340 3.634 1.00 0.00 C ATOM 1078 C VAL A 75 5.441 -4.252 3.674 1.00 0.00 C ATOM 1079 O VAL A 75 6.020 -3.178 3.519 1.00 0.00 O ATOM 1080 CB VAL A 75 3.356 -4.222 5.004 1.00 0.00 C ATOM 1081 CG1 VAL A 75 1.825 -4.222 4.864 1.00 0.00 C ATOM 1082 CG2 VAL A 75 3.804 -5.325 5.979 1.00 0.00 C ATOM 0 H VAL A 75 3.103 -6.216 3.470 1.00 0.00 H new ATOM 0 HA VAL A 75 3.588 -3.477 3.078 1.00 0.00 H new ATOM 0 HB VAL A 75 3.714 -3.289 5.439 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.369 -4.137 5.851 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.516 -3.378 4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.503 -5.151 4.394 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.328 -5.170 6.947 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.515 -6.299 5.584 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.887 -5.288 6.097 1.00 0.00 H new ATOM 1092 N GLU A 76 6.147 -5.387 3.833 1.00 0.00 N ATOM 1093 CA GLU A 76 7.572 -5.416 3.949 1.00 0.00 C ATOM 1094 C GLU A 76 8.292 -5.135 2.676 1.00 0.00 C ATOM 1095 O GLU A 76 9.349 -4.505 2.682 1.00 0.00 O ATOM 1096 CB GLU A 76 8.031 -6.741 4.583 1.00 0.00 C ATOM 1097 CG GLU A 76 9.486 -6.712 5.059 1.00 0.00 C ATOM 1098 CD GLU A 76 9.823 -7.967 5.850 1.00 0.00 C ATOM 1099 OE1 GLU A 76 9.529 -8.010 7.076 1.00 0.00 O ATOM 1100 OE2 GLU A 76 10.379 -8.929 5.256 1.00 0.00 O ATOM 0 H GLU A 76 5.714 -6.309 3.882 1.00 0.00 H new ATOM 0 HA GLU A 76 7.843 -4.593 4.610 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.384 -6.975 5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.909 -7.545 3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.152 -6.629 4.200 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.653 -5.831 5.679 1.00 0.00 H new ATOM 1107 N THR A 77 7.734 -5.509 1.512 1.00 0.00 N ATOM 1108 CA THR A 77 8.286 -5.193 0.231 1.00 0.00 C ATOM 1109 C THR A 77 8.176 -3.748 -0.114 1.00 0.00 C ATOM 1110 O THR A 77 8.999 -3.223 -0.861 1.00 0.00 O ATOM 1111 CB THR A 77 7.724 -5.993 -0.908 1.00 0.00 C ATOM 1112 OG1 THR A 77 6.305 -6.041 -0.886 1.00 0.00 O ATOM 1113 CG2 THR A 77 8.226 -7.444 -0.826 1.00 0.00 C ATOM 0 H THR A 77 6.870 -6.049 1.460 1.00 0.00 H new ATOM 0 HA THR A 77 9.335 -5.465 0.350 1.00 0.00 H new ATOM 0 HB THR A 77 8.054 -5.501 -1.823 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.011 -6.749 -0.276 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.814 -8.019 -1.656 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.315 -7.456 -0.881 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.906 -7.887 0.117 1.00 0.00 H new ATOM 1121 N LEU A 78 7.187 -3.028 0.444 1.00 0.00 N ATOM 1122 CA LEU A 78 7.065 -1.610 0.294 1.00 0.00 C ATOM 1123 C LEU A 78 7.972 -0.871 1.216 1.00 0.00 C ATOM 1124 O LEU A 78 8.617 0.103 0.832 1.00 0.00 O ATOM 1125 CB LEU A 78 5.602 -1.184 0.495 1.00 0.00 C ATOM 1126 CG LEU A 78 5.277 0.272 0.122 1.00 0.00 C ATOM 1127 CD1 LEU A 78 5.564 0.593 -1.355 1.00 0.00 C ATOM 1128 CD2 LEU A 78 3.798 0.567 0.427 1.00 0.00 C ATOM 0 H LEU A 78 6.451 -3.443 1.016 1.00 0.00 H new ATOM 0 HA LEU A 78 7.371 -1.352 -0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.966 -1.842 -0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.337 -1.340 1.541 1.00 0.00 H new ATOM 0 HG LEU A 78 5.929 0.905 0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.314 1.635 -1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.620 0.426 -1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.961 -0.054 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.571 1.599 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.166 -0.105 -0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.608 0.415 1.490 1.00 0.00 H new ATOM 1140 N ARG A 79 8.110 -1.330 2.473 1.00 0.00 N ATOM 1141 CA ARG A 79 9.058 -0.828 3.420 1.00 0.00 C ATOM 1142 C ARG A 79 10.475 -0.976 2.984 1.00 0.00 C ATOM 1143 O ARG A 79 11.212 0.003 2.886 1.00 0.00 O ATOM 1144 CB ARG A 79 8.907 -1.512 4.790 1.00 0.00 C ATOM 1145 CG ARG A 79 7.675 -1.065 5.578 1.00 0.00 C ATOM 1146 CD ARG A 79 7.625 -1.708 6.965 1.00 0.00 C ATOM 1147 NE ARG A 79 6.611 -0.985 7.782 1.00 0.00 N ATOM 1148 CZ ARG A 79 6.857 -0.485 9.028 1.00 0.00 C ATOM 1149 NH1 ARG A 79 8.006 -0.748 9.718 1.00 0.00 N ATOM 1150 NH2 ARG A 79 5.911 0.314 9.601 1.00 0.00 N ATOM 0 H ARG A 79 7.535 -2.085 2.846 1.00 0.00 H new ATOM 0 HA ARG A 79 8.832 0.236 3.496 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.859 -2.591 4.642 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.798 -1.311 5.385 1.00 0.00 H new ATOM 0 HG2 ARG A 79 7.683 0.020 5.680 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.774 -1.326 5.023 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.365 -2.763 6.885 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.604 -1.656 7.442 1.00 0.00 H new ATOM 0 HE ARG A 79 5.679 -0.856 7.388 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.725 -1.341 9.304 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.145 -0.351 10.647 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.048 0.523 9.099 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.067 0.702 10.531 1.00 0.00 H new ATOM 1164 N ASN A 80 10.919 -2.204 2.662 1.00 0.00 N ATOM 1165 CA ASN A 80 12.232 -2.476 2.165 1.00 0.00 C ATOM 1166 C ASN A 80 12.310 -2.264 0.693 1.00 0.00 C ATOM 1167 O ASN A 80 12.668 -3.146 -0.085 1.00 0.00 O ATOM 1168 CB ASN A 80 12.716 -3.889 2.531 1.00 0.00 C ATOM 1169 CG ASN A 80 12.992 -3.965 4.026 1.00 0.00 C ATOM 1170 OD1 ASN A 80 13.444 -3.009 4.654 1.00 0.00 O ATOM 1171 ND2 ASN A 80 12.763 -5.171 4.611 1.00 0.00 N ATOM 0 H ASN A 80 10.341 -3.040 2.751 1.00 0.00 H new ATOM 0 HA ASN A 80 12.900 -1.766 2.653 1.00 0.00 H new ATOM 0 HB2 ASN A 80 11.962 -4.626 2.253 1.00 0.00 H new ATOM 0 HB3 ASN A 80 13.620 -4.131 1.972 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.967 -5.304 5.601 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.387 -5.942 4.059 1.00 0.00 H new ATOM 1178 N THR A 81 12.009 -1.024 0.267 1.00 0.00 N ATOM 1179 CA THR A 81 12.257 -0.475 -1.029 1.00 0.00 C ATOM 1180 C THR A 81 13.657 0.037 -1.041 1.00 0.00 C ATOM 1181 O THR A 81 14.543 -0.544 -1.667 1.00 0.00 O ATOM 1182 CB THR A 81 11.318 0.633 -1.402 1.00 0.00 C ATOM 1183 OG1 THR A 81 10.889 1.379 -0.273 1.00 0.00 O ATOM 1184 CG2 THR A 81 10.063 0.028 -2.053 1.00 0.00 C ATOM 0 H THR A 81 11.554 -0.351 0.883 1.00 0.00 H new ATOM 0 HA THR A 81 12.099 -1.264 -1.764 1.00 0.00 H new ATOM 0 HB THR A 81 11.856 1.296 -2.080 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.101 0.951 0.122 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.374 0.827 -2.328 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.348 -0.528 -2.946 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.575 -0.645 -1.347 1.00 0.00 H new ATOM 1192 N GLY A 82 13.911 1.126 -0.294 1.00 0.00 N ATOM 1193 CA GLY A 82 15.180 1.783 -0.222 1.00 0.00 C ATOM 1194 C GLY A 82 15.048 3.167 -0.756 1.00 0.00 C ATOM 1195 O GLY A 82 14.292 3.960 -0.198 1.00 0.00 O ATOM 0 H GLY A 82 13.199 1.569 0.287 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.530 1.811 0.810 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.923 1.229 -0.796 1.00 0.00 H new ATOM 1199 N GLN A 83 15.763 3.497 -1.847 1.00 0.00 N ATOM 1200 CA GLN A 83 15.808 4.815 -2.401 1.00 0.00 C ATOM 1201 C GLN A 83 14.508 5.293 -2.952 1.00 0.00 C ATOM 1202 O GLN A 83 13.952 6.285 -2.483 1.00 0.00 O ATOM 1203 CB GLN A 83 16.901 4.953 -3.474 1.00 0.00 C ATOM 1204 CG GLN A 83 17.134 6.395 -3.929 1.00 0.00 C ATOM 1205 CD GLN A 83 18.097 6.513 -5.102 1.00 0.00 C ATOM 1206 OE1 GLN A 83 18.478 5.553 -5.769 1.00 0.00 O ATOM 1207 NE2 GLN A 83 18.495 7.778 -5.408 1.00 0.00 N ATOM 0 H GLN A 83 16.330 2.823 -2.361 1.00 0.00 H new ATOM 0 HA GLN A 83 16.049 5.454 -1.551 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.835 4.549 -3.084 1.00 0.00 H new ATOM 0 HB3 GLN A 83 16.628 4.348 -4.338 1.00 0.00 H new ATOM 0 HG2 GLN A 83 16.178 6.839 -4.208 1.00 0.00 H new ATOM 0 HG3 GLN A 83 17.522 6.974 -3.091 1.00 0.00 H new ATOM 0 HE21 GLN A 83 18.171 8.565 -4.846 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.117 7.939 -6.200 1.00 0.00 H new ATOM 1216 N VAL A 84 13.991 4.626 -3.998 1.00 0.00 N ATOM 1217 CA VAL A 84 12.862 5.092 -4.743 1.00 0.00 C ATOM 1218 C VAL A 84 11.636 4.307 -4.424 1.00 0.00 C ATOM 1219 O VAL A 84 11.656 3.089 -4.260 1.00 0.00 O ATOM 1220 CB VAL A 84 13.148 5.186 -6.213 1.00 0.00 C ATOM 1221 CG1 VAL A 84 13.216 3.811 -6.897 1.00 0.00 C ATOM 1222 CG2 VAL A 84 12.130 6.100 -6.915 1.00 0.00 C ATOM 0 H VAL A 84 14.367 3.740 -4.335 1.00 0.00 H new ATOM 0 HA VAL A 84 12.659 6.115 -4.426 1.00 0.00 H new ATOM 0 HB VAL A 84 14.139 5.630 -6.309 1.00 0.00 H new ATOM 0 HG11 VAL A 84 13.425 3.943 -7.959 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.008 3.217 -6.442 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.262 3.297 -6.776 1.00 0.00 H new ATOM 0 HG21 VAL A 84 12.360 6.151 -7.979 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.126 5.698 -6.779 1.00 0.00 H new ATOM 0 HG23 VAL A 84 12.181 7.100 -6.485 1.00 0.00 H new ATOM 1232 N VAL A 85 10.500 5.013 -4.282 1.00 0.00 N ATOM 1233 CA VAL A 85 9.234 4.483 -3.879 1.00 0.00 C ATOM 1234 C VAL A 85 8.273 4.780 -4.979 1.00 0.00 C ATOM 1235 O VAL A 85 7.602 5.811 -4.989 1.00 0.00 O ATOM 1236 CB VAL A 85 8.785 5.083 -2.581 1.00 0.00 C ATOM 1237 CG1 VAL A 85 7.493 4.421 -2.073 1.00 0.00 C ATOM 1238 CG2 VAL A 85 9.887 4.921 -1.519 1.00 0.00 C ATOM 0 H VAL A 85 10.464 6.017 -4.460 1.00 0.00 H new ATOM 0 HA VAL A 85 9.300 3.408 -3.709 1.00 0.00 H new ATOM 0 HB VAL A 85 8.587 6.141 -2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.196 4.880 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.701 4.557 -2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.666 3.356 -1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.553 5.359 -0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.097 3.862 -1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.792 5.427 -1.854 1.00 0.00 H new ATOM 1248 N HIS A 86 8.173 3.896 -5.988 1.00 0.00 N ATOM 1249 CA HIS A 86 7.336 4.093 -7.129 1.00 0.00 C ATOM 1250 C HIS A 86 6.287 3.036 -7.149 1.00 0.00 C ATOM 1251 O HIS A 86 6.587 1.843 -7.112 1.00 0.00 O ATOM 1252 CB HIS A 86 8.153 4.025 -8.430 1.00 0.00 C ATOM 1253 CG HIS A 86 7.365 4.195 -9.695 1.00 0.00 C ATOM 1254 ND1 HIS A 86 7.588 5.286 -10.511 1.00 0.00 N ATOM 1255 CD2 HIS A 86 6.380 3.414 -10.214 1.00 0.00 C ATOM 1256 CE1 HIS A 86 6.710 5.175 -11.491 1.00 0.00 C ATOM 1257 NE2 HIS A 86 5.960 4.047 -11.366 1.00 0.00 N ATOM 0 H HIS A 86 8.691 3.017 -6.010 1.00 0.00 H new ATOM 0 HA HIS A 86 6.879 5.080 -7.062 1.00 0.00 H new ATOM 0 HB2 HIS A 86 8.923 4.795 -8.396 1.00 0.00 H new ATOM 0 HB3 HIS A 86 8.665 3.063 -8.468 1.00 0.00 H new ATOM 0 HD2 HIS A 86 6.003 2.487 -9.807 1.00 0.00 H new ATOM 0 HE1 HIS A 86 6.601 5.891 -12.292 1.00 0.00 H new ATOM 0 HE2 HIS A 86 5.228 3.730 -12.002 1.00 0.00 H new ATOM 1265 N LEU A 87 4.999 3.417 -7.223 1.00 0.00 N ATOM 1266 CA LEU A 87 3.941 2.455 -7.227 1.00 0.00 C ATOM 1267 C LEU A 87 2.781 2.907 -8.046 1.00 0.00 C ATOM 1268 O LEU A 87 2.641 4.076 -8.402 1.00 0.00 O ATOM 1269 CB LEU A 87 3.566 1.911 -5.837 1.00 0.00 C ATOM 1270 CG LEU A 87 3.028 2.836 -4.734 1.00 0.00 C ATOM 1271 CD1 LEU A 87 4.034 3.894 -4.251 1.00 0.00 C ATOM 1272 CD2 LEU A 87 1.669 3.473 -5.072 1.00 0.00 C ATOM 0 H LEU A 87 4.691 4.388 -7.280 1.00 0.00 H new ATOM 0 HA LEU A 87 4.340 1.575 -7.731 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.818 1.133 -5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.455 1.423 -5.437 1.00 0.00 H new ATOM 0 HG LEU A 87 2.865 2.162 -3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.575 4.504 -3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.918 3.399 -3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.323 4.530 -5.088 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.352 4.113 -4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.762 4.070 -5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.928 2.689 -5.228 1.00 0.00 H new ATOM 1284 N LEU A 88 1.910 1.947 -8.406 1.00 0.00 N ATOM 1285 CA LEU A 88 0.840 2.100 -9.343 1.00 0.00 C ATOM 1286 C LEU A 88 -0.431 1.776 -8.637 1.00 0.00 C ATOM 1287 O LEU A 88 -0.513 0.756 -7.955 1.00 0.00 O ATOM 1288 CB LEU A 88 1.066 1.109 -10.497 1.00 0.00 C ATOM 1289 CG LEU A 88 -0.096 0.802 -11.456 1.00 0.00 C ATOM 1290 CD1 LEU A 88 -0.714 2.026 -12.154 1.00 0.00 C ATOM 1291 CD2 LEU A 88 0.409 -0.164 -12.541 1.00 0.00 C ATOM 0 H LEU A 88 1.957 1.005 -8.018 1.00 0.00 H new ATOM 0 HA LEU A 88 0.796 3.114 -9.739 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.896 1.485 -11.096 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.390 0.164 -10.060 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.886 0.377 -10.836 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.524 1.702 -12.808 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.106 2.713 -11.404 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.049 2.531 -12.746 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.403 -0.393 -13.231 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.230 0.300 -13.088 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.759 -1.085 -12.074 1.00 0.00 H new ATOM 1303 N LEU A 89 -1.450 2.645 -8.763 1.00 0.00 N ATOM 1304 CA LEU A 89 -2.662 2.568 -8.008 1.00 0.00 C ATOM 1305 C LEU A 89 -3.850 2.909 -8.841 1.00 0.00 C ATOM 1306 O LEU A 89 -3.754 3.473 -9.931 1.00 0.00 O ATOM 1307 CB LEU A 89 -2.627 3.453 -6.751 1.00 0.00 C ATOM 1308 CG LEU A 89 -2.332 4.950 -6.940 1.00 0.00 C ATOM 1309 CD1 LEU A 89 -2.784 5.677 -5.661 1.00 0.00 C ATOM 1310 CD2 LEU A 89 -0.851 5.306 -7.153 1.00 0.00 C ATOM 0 H LEU A 89 -1.429 3.430 -9.414 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.750 1.531 -7.683 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.590 3.362 -6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.876 3.046 -6.075 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.861 5.249 -7.845 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.589 6.745 -5.761 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.851 5.516 -5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.233 5.286 -4.806 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.750 6.384 -7.276 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.271 4.983 -6.288 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.481 4.803 -8.046 1.00 0.00 H new ATOM 1322 N GLU A 90 -5.039 2.529 -8.342 1.00 0.00 N ATOM 1323 CA GLU A 90 -6.309 2.764 -8.956 1.00 0.00 C ATOM 1324 C GLU A 90 -7.237 3.249 -7.896 1.00 0.00 C ATOM 1325 O GLU A 90 -7.495 2.553 -6.915 1.00 0.00 O ATOM 1326 CB GLU A 90 -6.861 1.450 -9.534 1.00 0.00 C ATOM 1327 CG GLU A 90 -8.231 1.560 -10.207 1.00 0.00 C ATOM 1328 CD GLU A 90 -8.818 0.174 -10.435 1.00 0.00 C ATOM 1329 OE1 GLU A 90 -8.965 -0.576 -9.433 1.00 0.00 O ATOM 1330 OE2 GLU A 90 -9.113 -0.181 -11.608 1.00 0.00 O ATOM 0 H GLU A 90 -5.118 2.028 -7.457 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.210 3.493 -9.760 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.147 1.063 -10.261 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.927 0.717 -8.730 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.904 2.150 -9.584 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.136 2.084 -11.158 1.00 0.00 H new ATOM 1337 N LYS A 91 -7.795 4.464 -8.047 1.00 0.00 N ATOM 1338 CA LYS A 91 -8.598 5.046 -7.017 1.00 0.00 C ATOM 1339 C LYS A 91 -9.841 4.302 -6.668 1.00 0.00 C ATOM 1340 O LYS A 91 -10.513 3.700 -7.503 1.00 0.00 O ATOM 1341 CB LYS A 91 -8.970 6.508 -7.313 1.00 0.00 C ATOM 1342 CG LYS A 91 -7.749 7.430 -7.333 1.00 0.00 C ATOM 1343 CD LYS A 91 -8.132 8.887 -7.601 1.00 0.00 C ATOM 1344 CE LYS A 91 -6.911 9.804 -7.683 1.00 0.00 C ATOM 1345 NZ LYS A 91 -7.287 11.083 -8.328 1.00 0.00 N ATOM 0 H LYS A 91 -7.690 5.042 -8.881 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.940 4.989 -6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.478 6.563 -8.276 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.675 6.860 -6.560 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.229 7.362 -6.378 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.052 7.092 -8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.692 8.947 -8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.794 9.238 -6.809 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.518 9.992 -6.684 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.118 9.319 -8.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.472 11.728 -8.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.578 10.904 -9.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.076 11.516 -7.807 1.00 0.00 H new ATOM 1359 N GLY A 92 -10.188 4.314 -5.369 1.00 0.00 N ATOM 1360 CA GLY A 92 -11.291 3.582 -4.828 1.00 0.00 C ATOM 1361 C GLY A 92 -12.624 4.126 -5.212 1.00 0.00 C ATOM 1362 O GLY A 92 -12.812 5.333 -5.356 1.00 0.00 O ATOM 0 H GLY A 92 -9.681 4.854 -4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.224 2.546 -5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.212 3.575 -3.741 1.00 0.00 H new ATOM 1560 N GLN B 11 -2.333 -8.916 11.835 1.00 0.00 N ATOM 1561 CA GLN B 11 -2.925 -7.700 12.299 1.00 0.00 C ATOM 1562 C GLN B 11 -2.757 -6.557 11.357 1.00 0.00 C ATOM 1563 O GLN B 11 -3.049 -6.686 10.169 1.00 0.00 O ATOM 1564 CB GLN B 11 -2.535 -7.368 13.749 1.00 0.00 C ATOM 1565 CG GLN B 11 -1.037 -7.288 14.045 1.00 0.00 C ATOM 1566 CD GLN B 11 -0.741 -6.175 15.041 1.00 0.00 C ATOM 1567 OE1 GLN B 11 -0.663 -5.015 14.642 1.00 0.00 O ATOM 1568 NE2 GLN B 11 -0.585 -6.498 16.353 1.00 0.00 N ATOM 0 HA GLN B 11 -4.000 -7.882 12.318 1.00 0.00 H new ATOM 0 HB2 GLN B 11 -2.988 -6.413 14.015 1.00 0.00 H new ATOM 0 HB3 GLN B 11 -2.973 -8.122 14.403 1.00 0.00 H new ATOM 0 HG2 GLN B 11 -0.689 -8.241 14.444 1.00 0.00 H new ATOM 0 HG3 GLN B 11 -0.488 -7.110 13.120 1.00 0.00 H new ATOM 0 HE21 GLN B 11 -0.656 -7.471 16.651 1.00 0.00 H new ATOM 0 HE22 GLN B 11 -0.397 -5.767 17.039 1.00 0.00 H new ATOM 1577 N VAL B 12 -2.314 -5.371 11.810 1.00 0.00 N ATOM 1578 CA VAL B 12 -2.500 -4.121 11.142 1.00 0.00 C ATOM 1579 C VAL B 12 -1.171 -3.507 10.860 1.00 0.00 C ATOM 1580 O VAL B 12 -0.171 -3.857 11.484 1.00 0.00 O ATOM 1581 CB VAL B 12 -3.321 -3.167 11.957 1.00 0.00 C ATOM 1582 CG1 VAL B 12 -3.942 -2.074 11.070 1.00 0.00 C ATOM 1583 CG2 VAL B 12 -4.466 -3.895 12.680 1.00 0.00 C ATOM 0 H VAL B 12 -1.800 -5.280 12.686 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.036 -4.317 10.213 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.646 -2.719 12.686 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.532 -1.396 11.687 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.149 -1.515 10.573 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.585 -2.535 10.321 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.043 -3.177 13.263 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.115 -4.372 11.946 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.053 -4.653 13.345 1.00 0.00 H new ATOM 1593 N SER B 13 -1.073 -2.595 9.876 1.00 0.00 N ATOM 1594 CA SER B 13 0.167 -2.049 9.418 1.00 0.00 C ATOM 1595 C SER B 13 0.129 -0.587 9.134 1.00 0.00 C ATOM 1596 O SER B 13 -0.920 0.049 9.055 1.00 0.00 O ATOM 1597 CB SER B 13 0.641 -2.746 8.131 1.00 0.00 C ATOM 1598 OG SER B 13 -0.374 -2.759 7.138 1.00 0.00 O ATOM 0 H SER B 13 -1.885 -2.225 9.382 1.00 0.00 H new ATOM 0 HA SER B 13 0.853 -2.221 10.248 1.00 0.00 H new ATOM 0 HB2 SER B 13 1.523 -2.235 7.744 1.00 0.00 H new ATOM 0 HB3 SER B 13 0.940 -3.769 8.360 1.00 0.00 H new ATOM 0 HG SER B 13 -0.007 -2.429 6.291 1.00 0.00 H new ATOM 1604 N ALA B 14 1.332 -0.012 8.949 1.00 0.00 N ATOM 1605 CA ALA B 14 1.552 1.255 8.326 1.00 0.00 C ATOM 1606 C ALA B 14 2.880 1.234 7.650 1.00 0.00 C ATOM 1607 O ALA B 14 3.739 0.414 7.971 1.00 0.00 O ATOM 1608 CB ALA B 14 1.492 2.404 9.347 1.00 0.00 C ATOM 0 H ALA B 14 2.198 -0.458 9.252 1.00 0.00 H new ATOM 0 HA ALA B 14 0.762 1.429 7.595 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.664 3.352 8.838 1.00 0.00 H new ATOM 0 HB2 ALA B 14 0.510 2.419 9.821 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.259 2.256 10.107 1.00 0.00 H new ATOM 1614 N VAL B 15 3.114 2.140 6.685 1.00 0.00 N ATOM 1615 CA VAL B 15 4.350 2.304 5.983 1.00 0.00 C ATOM 1616 C VAL B 15 4.655 3.795 6.011 1.00 0.00 C ATOM 1617 O VAL B 15 3.729 4.609 5.750 1.00 0.00 O ATOM 1618 CB VAL B 15 4.307 1.812 4.567 1.00 0.00 C ATOM 1619 CG1 VAL B 15 5.611 2.150 3.822 1.00 0.00 C ATOM 1620 CG2 VAL B 15 4.105 0.287 4.560 1.00 0.00 C ATOM 1621 OXT VAL B 15 5.803 4.184 6.353 1.00 0.00 O ATOM 0 H VAL B 15 2.398 2.797 6.376 1.00 0.00 H new ATOM 0 HA VAL B 15 5.121 1.706 6.468 1.00 0.00 H new ATOM 0 HB VAL B 15 3.478 2.306 4.060 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.551 1.781 2.798 1.00 0.00 H new ATOM 0 HG12 VAL B 15 5.754 3.231 3.811 1.00 0.00 H new ATOM 0 HG13 VAL B 15 6.453 1.678 4.329 1.00 0.00 H new ATOM 0 HG21 VAL B 15 4.074 -0.071 3.531 1.00 0.00 H new ATOM 0 HG22 VAL B 15 4.931 -0.192 5.086 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.167 0.042 5.058 1.00 0.00 H new