USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 163:sc= -2.02 (180deg=-3.69) USER MOD Single : A 1 MET N :NH3+ 172:sc= 0.585 (180deg=0.353) USER MOD Single : A 7 ASN : amide:sc= 1.28 K(o=1.3,f=-10!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.17) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -167:sc= -0.0403 (180deg=-0.58) USER MOD Single : A 16 SER OG : rot -31:sc= 0.305 USER MOD Single : A 17 TYR OH : rot 97:sc= 0.0161 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 1.75 K(o=1.8,f=0) USER MOD Single : A 37 SER OG : rot -94:sc= 1.33 USER MOD Single : A 45 MET CE :methyl -168:sc= 0 (180deg=-0.136) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 65 GLN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.15) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.736 USER MOD Single : A 77 LYS NZ :NH3+ 176:sc= 1.22 (180deg=1.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.851 0.992 -3.564 1.00 0.00 N ATOM 2 CA MET A 1 5.254 -0.096 -4.399 1.00 0.00 C ATOM 3 C MET A 1 4.145 0.447 -5.321 1.00 0.00 C ATOM 4 O MET A 1 3.903 1.651 -5.358 1.00 0.00 O ATOM 5 CB MET A 1 4.805 -1.316 -3.554 1.00 0.00 C ATOM 6 CG MET A 1 3.529 -1.133 -2.714 1.00 0.00 C ATOM 7 SD MET A 1 3.239 -2.452 -1.506 1.00 0.00 S ATOM 8 CE MET A 1 2.813 -3.799 -2.629 1.00 0.00 C ATOM 0 H1 MET A 1 6.495 0.576 -2.861 1.00 0.00 H new ATOM 0 H2 MET A 1 6.380 1.647 -4.174 1.00 0.00 H new ATOM 0 H3 MET A 1 5.093 1.510 -3.075 1.00 0.00 H new ATOM 0 HA MET A 1 6.042 -0.474 -5.051 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.653 -2.160 -4.226 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.620 -1.586 -2.883 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.588 -0.180 -2.188 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.671 -1.075 -3.384 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.896 -4.751 -2.104 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.790 -3.668 -2.983 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.495 -3.793 -3.479 1.00 0.00 H new ATOM 20 N GLU A 2 3.469 -0.428 -6.074 1.00 0.00 N ATOM 21 CA GLU A 2 2.523 -0.079 -7.134 1.00 0.00 C ATOM 22 C GLU A 2 1.294 -0.972 -6.944 1.00 0.00 C ATOM 23 O GLU A 2 1.476 -2.173 -6.776 1.00 0.00 O ATOM 24 CB GLU A 2 3.239 -0.352 -8.475 1.00 0.00 C ATOM 25 CG GLU A 2 3.779 0.927 -9.126 1.00 0.00 C ATOM 26 CD GLU A 2 2.653 1.795 -9.722 1.00 0.00 C ATOM 27 OE1 GLU A 2 2.108 2.669 -9.004 1.00 0.00 O ATOM 28 OE2 GLU A 2 2.313 1.614 -10.916 1.00 0.00 O ATOM 0 H GLU A 2 3.571 -1.436 -5.955 1.00 0.00 H new ATOM 0 HA GLU A 2 2.202 0.963 -7.114 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.063 -1.046 -8.308 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.545 -0.839 -9.160 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.329 1.506 -8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.486 0.662 -9.912 1.00 0.00 H new ATOM 35 N ILE A 3 0.070 -0.431 -6.940 1.00 0.00 N ATOM 36 CA ILE A 3 -1.169 -1.146 -6.595 1.00 0.00 C ATOM 37 C ILE A 3 -2.145 -1.057 -7.785 1.00 0.00 C ATOM 38 O ILE A 3 -2.132 -0.066 -8.521 1.00 0.00 O ATOM 39 CB ILE A 3 -1.806 -0.540 -5.319 1.00 0.00 C ATOM 40 CG1 ILE A 3 -0.839 -0.437 -4.125 1.00 0.00 C ATOM 41 CG2 ILE A 3 -3.067 -1.311 -4.869 1.00 0.00 C ATOM 42 CD1 ILE A 3 -0.245 -1.745 -3.600 1.00 0.00 C ATOM 0 H ILE A 3 -0.093 0.546 -7.184 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.943 -2.192 -6.390 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.080 0.472 -5.618 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.016 0.219 -4.411 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.365 0.050 -3.304 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.476 -0.847 -3.971 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.813 -1.284 -5.663 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.803 -2.347 -4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.417 -1.533 -2.761 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.049 -2.403 -3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.320 -2.232 -4.394 1.00 0.00 H new ATOM 54 N GLU A 4 -3.034 -2.045 -7.937 1.00 0.00 N ATOM 55 CA GLU A 4 -4.145 -2.034 -8.876 1.00 0.00 C ATOM 56 C GLU A 4 -5.396 -2.647 -8.223 1.00 0.00 C ATOM 57 O GLU A 4 -5.303 -3.549 -7.387 1.00 0.00 O ATOM 58 CB GLU A 4 -3.724 -2.841 -10.106 1.00 0.00 C ATOM 59 CG GLU A 4 -4.781 -2.862 -11.202 1.00 0.00 C ATOM 60 CD GLU A 4 -5.120 -1.460 -11.745 1.00 0.00 C ATOM 61 OE1 GLU A 4 -5.992 -0.786 -11.143 1.00 0.00 O ATOM 62 OE2 GLU A 4 -4.527 -1.039 -12.766 1.00 0.00 O ATOM 0 H GLU A 4 -2.992 -2.902 -7.386 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.392 -1.013 -9.167 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.801 -2.423 -10.508 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.504 -3.865 -9.803 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.431 -3.488 -12.023 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.689 -3.324 -10.814 1.00 0.00 H new ATOM 69 N ARG A 5 -6.578 -2.218 -8.676 1.00 0.00 N ATOM 70 CA ARG A 5 -7.890 -2.700 -8.247 1.00 0.00 C ATOM 71 C ARG A 5 -8.572 -3.272 -9.495 1.00 0.00 C ATOM 72 O ARG A 5 -9.176 -2.521 -10.260 1.00 0.00 O ATOM 73 CB ARG A 5 -8.670 -1.525 -7.618 1.00 0.00 C ATOM 74 CG ARG A 5 -10.031 -1.931 -7.018 1.00 0.00 C ATOM 75 CD ARG A 5 -9.936 -2.564 -5.624 1.00 0.00 C ATOM 76 NE ARG A 5 -9.507 -1.574 -4.612 1.00 0.00 N ATOM 77 CZ ARG A 5 -10.304 -0.860 -3.800 1.00 0.00 C ATOM 78 NH1 ARG A 5 -11.620 -1.028 -3.806 1.00 0.00 N ATOM 79 NH2 ARG A 5 -9.774 0.025 -2.965 1.00 0.00 N ATOM 0 H ARG A 5 -6.647 -1.489 -9.387 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.833 -3.479 -7.487 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -8.059 -1.073 -6.836 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -8.832 -0.761 -8.378 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.669 -1.049 -6.962 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.518 -2.635 -7.693 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.905 -2.978 -5.343 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -9.230 -3.394 -5.646 1.00 0.00 H new ATOM 0 HE ARG A 5 -8.503 -1.418 -4.522 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.044 -1.710 -4.435 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.207 -0.476 -3.181 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -8.764 0.162 -2.941 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -10.377 0.568 -2.347 1.00 0.00 H new ATOM 93 N ILE A 6 -8.426 -4.582 -9.741 1.00 0.00 N ATOM 94 CA ILE A 6 -9.018 -5.215 -10.919 1.00 0.00 C ATOM 95 C ILE A 6 -10.539 -5.127 -10.789 1.00 0.00 C ATOM 96 O ILE A 6 -11.230 -4.632 -11.679 1.00 0.00 O ATOM 97 CB ILE A 6 -8.546 -6.679 -11.024 1.00 0.00 C ATOM 98 CG1 ILE A 6 -7.012 -6.801 -10.962 1.00 0.00 C ATOM 99 CG2 ILE A 6 -9.123 -7.365 -12.273 1.00 0.00 C ATOM 100 CD1 ILE A 6 -6.267 -6.025 -12.049 1.00 0.00 C ATOM 0 H ILE A 6 -7.904 -5.219 -9.139 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.704 -4.706 -11.830 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.936 -7.204 -10.152 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.672 -6.452 -9.987 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.741 -7.854 -11.036 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.771 -8.396 -12.317 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -10.212 -7.355 -12.223 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.796 -6.831 -13.165 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.193 -6.169 -11.928 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.573 -6.388 -13.030 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.503 -4.964 -11.965 1.00 0.00 H new ATOM 112 N ASN A 7 -11.038 -5.607 -9.650 1.00 0.00 N ATOM 113 CA ASN A 7 -12.444 -5.598 -9.258 1.00 0.00 C ATOM 114 C ASN A 7 -12.517 -5.697 -7.724 1.00 0.00 C ATOM 115 O ASN A 7 -11.531 -5.427 -7.040 1.00 0.00 O ATOM 116 CB ASN A 7 -13.232 -6.697 -10.017 1.00 0.00 C ATOM 117 CG ASN A 7 -12.976 -8.143 -9.597 1.00 0.00 C ATOM 118 OD1 ASN A 7 -12.267 -8.427 -8.645 1.00 0.00 O ATOM 119 ND2 ASN A 7 -13.562 -9.101 -10.292 1.00 0.00 N ATOM 0 H ASN A 7 -10.441 -6.034 -8.941 1.00 0.00 H new ATOM 0 HA ASN A 7 -12.932 -4.666 -9.544 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.296 -6.493 -9.901 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -13.004 -6.606 -11.079 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.422 -10.078 -10.033 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.155 -8.864 -11.088 1.00 0.00 H new ATOM 126 N GLU A 8 -13.678 -6.050 -7.164 1.00 0.00 N ATOM 127 CA GLU A 8 -13.896 -6.120 -5.715 1.00 0.00 C ATOM 128 C GLU A 8 -13.095 -7.247 -5.026 1.00 0.00 C ATOM 129 O GLU A 8 -12.916 -7.233 -3.804 1.00 0.00 O ATOM 130 CB GLU A 8 -15.409 -6.272 -5.478 1.00 0.00 C ATOM 131 CG GLU A 8 -15.803 -6.134 -4.005 1.00 0.00 C ATOM 132 CD GLU A 8 -17.274 -5.699 -3.847 1.00 0.00 C ATOM 133 OE1 GLU A 8 -17.548 -4.474 -3.819 1.00 0.00 O ATOM 134 OE2 GLU A 8 -18.170 -6.572 -3.739 1.00 0.00 O ATOM 0 H GLU A 8 -14.503 -6.298 -7.710 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.524 -5.202 -5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -15.940 -5.520 -6.062 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -15.732 -7.246 -5.845 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.648 -7.085 -3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.154 -5.404 -3.521 1.00 0.00 H new ATOM 141 N HIS A 9 -12.598 -8.222 -5.791 1.00 0.00 N ATOM 142 CA HIS A 9 -12.116 -9.499 -5.263 1.00 0.00 C ATOM 143 C HIS A 9 -10.673 -9.749 -5.682 1.00 0.00 C ATOM 144 O HIS A 9 -9.834 -10.026 -4.824 1.00 0.00 O ATOM 145 CB HIS A 9 -13.042 -10.627 -5.748 1.00 0.00 C ATOM 146 CG HIS A 9 -14.487 -10.416 -5.384 1.00 0.00 C ATOM 147 ND1 HIS A 9 -15.551 -10.310 -6.255 1.00 0.00 N ATOM 148 CD2 HIS A 9 -14.988 -10.253 -4.122 1.00 0.00 C ATOM 149 CE1 HIS A 9 -16.665 -10.116 -5.525 1.00 0.00 C ATOM 150 NE2 HIS A 9 -16.371 -10.079 -4.214 1.00 0.00 N ATOM 0 H HIS A 9 -12.518 -8.145 -6.805 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.134 -9.470 -4.174 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -12.958 -10.715 -6.831 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.703 -11.572 -5.324 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -14.412 -10.258 -3.209 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -17.658 -10.005 -5.936 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -17.025 -9.950 -3.442 1.00 0.00 H new ATOM 158 N THR A 10 -10.369 -9.614 -6.970 1.00 0.00 N ATOM 159 CA THR A 10 -9.011 -9.631 -7.466 1.00 0.00 C ATOM 160 C THR A 10 -8.426 -8.240 -7.254 1.00 0.00 C ATOM 161 O THR A 10 -9.004 -7.228 -7.656 1.00 0.00 O ATOM 162 CB THR A 10 -8.992 -10.023 -8.951 1.00 0.00 C ATOM 163 OG1 THR A 10 -9.721 -11.231 -9.127 1.00 0.00 O ATOM 164 CG2 THR A 10 -7.555 -10.227 -9.450 1.00 0.00 C ATOM 0 H THR A 10 -11.071 -9.489 -7.700 1.00 0.00 H new ATOM 0 HA THR A 10 -8.412 -10.369 -6.932 1.00 0.00 H new ATOM 0 HB THR A 10 -9.448 -9.217 -9.525 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.712 -11.483 -10.074 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.572 -10.504 -10.504 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.992 -9.302 -9.327 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.079 -11.021 -8.874 1.00 0.00 H new ATOM 172 N VAL A 11 -7.217 -8.206 -6.715 1.00 0.00 N ATOM 173 CA VAL A 11 -6.348 -7.043 -6.733 1.00 0.00 C ATOM 174 C VAL A 11 -5.010 -7.544 -7.265 1.00 0.00 C ATOM 175 O VAL A 11 -4.730 -8.742 -7.209 1.00 0.00 O ATOM 176 CB VAL A 11 -6.268 -6.382 -5.336 1.00 0.00 C ATOM 177 CG1 VAL A 11 -7.642 -5.848 -4.909 1.00 0.00 C ATOM 178 CG2 VAL A 11 -5.755 -7.316 -4.229 1.00 0.00 C ATOM 0 H VAL A 11 -6.804 -9.009 -6.241 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.723 -6.246 -7.375 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.546 -5.573 -5.449 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.563 -5.387 -3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.984 -5.106 -5.630 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.356 -6.671 -4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.729 -6.777 -3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.421 -8.175 -4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.751 -7.660 -4.479 1.00 0.00 H new ATOM 188 N LYS A 12 -4.159 -6.660 -7.768 1.00 0.00 N ATOM 189 CA LYS A 12 -2.765 -7.010 -7.976 1.00 0.00 C ATOM 190 C LYS A 12 -1.912 -5.836 -7.565 1.00 0.00 C ATOM 191 O LYS A 12 -2.411 -4.732 -7.370 1.00 0.00 O ATOM 192 CB LYS A 12 -2.512 -7.504 -9.413 1.00 0.00 C ATOM 193 CG LYS A 12 -2.532 -6.434 -10.498 1.00 0.00 C ATOM 194 CD LYS A 12 -2.258 -7.084 -11.863 1.00 0.00 C ATOM 195 CE LYS A 12 -2.144 -5.970 -12.905 1.00 0.00 C ATOM 196 NZ LYS A 12 -1.522 -6.433 -14.174 1.00 0.00 N ATOM 0 H LYS A 12 -4.407 -5.708 -8.036 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.486 -7.857 -7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.543 -8.003 -9.440 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.264 -8.255 -9.656 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.499 -5.931 -10.510 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.780 -5.674 -10.288 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.339 -7.669 -11.829 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.063 -7.771 -12.126 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.137 -5.572 -13.116 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.553 -5.152 -12.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.453 -5.636 -14.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.570 -6.804 -13.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.107 -7.184 -14.594 1.00 0.00 H new ATOM 210 N PHE A 13 -0.621 -6.070 -7.440 1.00 0.00 N ATOM 211 CA PHE A 13 0.352 -5.052 -7.136 1.00 0.00 C ATOM 212 C PHE A 13 1.653 -5.456 -7.804 1.00 0.00 C ATOM 213 O PHE A 13 1.823 -6.600 -8.232 1.00 0.00 O ATOM 214 CB PHE A 13 0.485 -4.906 -5.614 1.00 0.00 C ATOM 215 CG PHE A 13 0.939 -6.142 -4.883 1.00 0.00 C ATOM 216 CD1 PHE A 13 -0.009 -7.075 -4.432 1.00 0.00 C ATOM 217 CD2 PHE A 13 2.306 -6.333 -4.616 1.00 0.00 C ATOM 218 CE1 PHE A 13 0.407 -8.169 -3.655 1.00 0.00 C ATOM 219 CE2 PHE A 13 2.713 -7.417 -3.825 1.00 0.00 C ATOM 220 CZ PHE A 13 1.759 -8.312 -3.314 1.00 0.00 C ATOM 0 H PHE A 13 -0.214 -6.999 -7.551 1.00 0.00 H new ATOM 0 HA PHE A 13 0.053 -4.075 -7.515 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.189 -4.101 -5.404 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.480 -4.599 -5.210 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.053 -6.952 -4.681 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.039 -5.649 -5.018 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.315 -8.900 -3.321 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.761 -7.564 -3.609 1.00 0.00 H new ATOM 0 HZ PHE A 13 2.068 -9.112 -2.657 1.00 0.00 H new ATOM 230 N TYR A 14 2.587 -4.520 -7.870 1.00 0.00 N ATOM 231 CA TYR A 14 3.907 -4.747 -8.388 1.00 0.00 C ATOM 232 C TYR A 14 4.872 -4.304 -7.296 1.00 0.00 C ATOM 233 O TYR A 14 4.681 -3.265 -6.658 1.00 0.00 O ATOM 234 CB TYR A 14 4.058 -4.008 -9.714 1.00 0.00 C ATOM 235 CG TYR A 14 5.495 -3.966 -10.149 1.00 0.00 C ATOM 236 CD1 TYR A 14 6.072 -5.104 -10.731 1.00 0.00 C ATOM 237 CD2 TYR A 14 6.273 -2.838 -9.854 1.00 0.00 C ATOM 238 CE1 TYR A 14 7.434 -5.115 -11.055 1.00 0.00 C ATOM 239 CE2 TYR A 14 7.650 -2.848 -10.154 1.00 0.00 C ATOM 240 CZ TYR A 14 8.235 -3.980 -10.773 1.00 0.00 C ATOM 241 OH TYR A 14 9.561 -3.963 -11.101 1.00 0.00 O ATOM 0 H TYR A 14 2.434 -3.562 -7.555 1.00 0.00 H new ATOM 0 HA TYR A 14 4.116 -5.791 -8.621 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.458 -4.501 -10.479 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.675 -2.992 -9.613 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.464 -5.974 -10.930 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.821 -1.968 -9.401 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.873 -5.986 -11.519 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.261 -1.991 -9.911 1.00 0.00 H new ATOM 0 HH TYR A 14 9.953 -3.105 -10.835 1.00 0.00 H new ATOM 251 N MET A 15 5.868 -5.148 -7.048 1.00 0.00 N ATOM 252 CA MET A 15 6.771 -5.059 -5.926 1.00 0.00 C ATOM 253 C MET A 15 8.175 -5.149 -6.490 1.00 0.00 C ATOM 254 O MET A 15 8.604 -6.209 -6.948 1.00 0.00 O ATOM 255 CB MET A 15 6.487 -6.211 -4.963 1.00 0.00 C ATOM 256 CG MET A 15 7.042 -5.907 -3.586 1.00 0.00 C ATOM 257 SD MET A 15 6.010 -4.810 -2.597 1.00 0.00 S ATOM 258 CE MET A 15 6.490 -5.355 -0.942 1.00 0.00 C ATOM 0 H MET A 15 6.069 -5.943 -7.654 1.00 0.00 H new ATOM 0 HA MET A 15 6.649 -4.128 -5.373 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.412 -6.381 -4.898 1.00 0.00 H new ATOM 0 HB3 MET A 15 6.932 -7.129 -5.345 1.00 0.00 H new ATOM 0 HG2 MET A 15 7.177 -6.844 -3.046 1.00 0.00 H new ATOM 0 HG3 MET A 15 8.029 -5.457 -3.696 1.00 0.00 H new ATOM 0 HE1 MET A 15 5.790 -4.953 -0.209 1.00 0.00 H new ATOM 0 HE2 MET A 15 6.474 -6.444 -0.899 1.00 0.00 H new ATOM 0 HE3 MET A 15 7.495 -4.997 -0.718 1.00 0.00 H new ATOM 268 N SER A 16 8.885 -4.031 -6.499 1.00 0.00 N ATOM 269 CA SER A 16 10.278 -4.014 -6.909 1.00 0.00 C ATOM 270 C SER A 16 11.090 -4.717 -5.823 1.00 0.00 C ATOM 271 O SER A 16 10.701 -4.701 -4.653 1.00 0.00 O ATOM 272 CB SER A 16 10.751 -2.568 -7.118 1.00 0.00 C ATOM 273 OG SER A 16 9.790 -1.797 -7.826 1.00 0.00 O ATOM 0 H SER A 16 8.516 -3.120 -6.225 1.00 0.00 H new ATOM 0 HA SER A 16 10.410 -4.534 -7.858 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.947 -2.106 -6.150 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.693 -2.569 -7.667 1.00 0.00 H new ATOM 0 HG SER A 16 9.292 -2.378 -8.439 1.00 0.00 H new ATOM 279 N TYR A 17 12.248 -5.277 -6.168 1.00 0.00 N ATOM 280 CA TYR A 17 13.141 -5.887 -5.183 1.00 0.00 C ATOM 281 C TYR A 17 13.473 -4.926 -4.043 1.00 0.00 C ATOM 282 O TYR A 17 13.473 -5.326 -2.883 1.00 0.00 O ATOM 283 CB TYR A 17 14.411 -6.414 -5.863 1.00 0.00 C ATOM 284 CG TYR A 17 14.192 -7.451 -6.951 1.00 0.00 C ATOM 285 CD1 TYR A 17 13.097 -8.336 -6.905 1.00 0.00 C ATOM 286 CD2 TYR A 17 15.098 -7.523 -8.027 1.00 0.00 C ATOM 287 CE1 TYR A 17 12.916 -9.290 -7.917 1.00 0.00 C ATOM 288 CE2 TYR A 17 14.917 -8.474 -9.047 1.00 0.00 C ATOM 289 CZ TYR A 17 13.827 -9.374 -8.993 1.00 0.00 C ATOM 290 OH TYR A 17 13.634 -10.312 -9.964 1.00 0.00 O ATOM 0 H TYR A 17 12.592 -5.321 -7.127 1.00 0.00 H new ATOM 0 HA TYR A 17 12.618 -6.733 -4.737 1.00 0.00 H new ATOM 0 HB2 TYR A 17 14.948 -5.569 -6.294 1.00 0.00 H new ATOM 0 HB3 TYR A 17 15.058 -6.846 -5.099 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.394 -8.280 -6.087 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.937 -6.844 -8.069 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.074 -9.965 -7.873 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.611 -8.517 -9.873 1.00 0.00 H new ATOM 0 HH TYR A 17 13.174 -9.903 -10.727 1.00 0.00 H new ATOM 300 N GLY A 18 13.652 -3.640 -4.340 1.00 0.00 N ATOM 301 CA GLY A 18 13.953 -2.651 -3.318 1.00 0.00 C ATOM 302 C GLY A 18 12.773 -2.371 -2.378 1.00 0.00 C ATOM 303 O GLY A 18 13.001 -2.031 -1.222 1.00 0.00 O ATOM 0 H GLY A 18 13.593 -3.262 -5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.804 -2.994 -2.729 1.00 0.00 H new ATOM 0 HA3 GLY A 18 14.253 -1.721 -3.800 1.00 0.00 H new ATOM 307 N ASP A 19 11.521 -2.570 -2.808 1.00 0.00 N ATOM 308 CA ASP A 19 10.356 -2.452 -1.918 1.00 0.00 C ATOM 309 C ASP A 19 10.351 -3.589 -0.897 1.00 0.00 C ATOM 310 O ASP A 19 9.854 -3.426 0.219 1.00 0.00 O ATOM 311 CB ASP A 19 9.032 -2.502 -2.706 1.00 0.00 C ATOM 312 CG ASP A 19 8.414 -1.117 -2.904 1.00 0.00 C ATOM 313 OD1 ASP A 19 7.786 -0.595 -1.953 1.00 0.00 O ATOM 314 OD2 ASP A 19 8.467 -0.582 -4.031 1.00 0.00 O ATOM 0 H ASP A 19 11.287 -2.814 -3.770 1.00 0.00 H new ATOM 0 HA ASP A 19 10.435 -1.489 -1.414 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.210 -2.959 -3.679 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.323 -3.140 -2.179 1.00 0.00 H new ATOM 319 N ILE A 20 10.886 -4.747 -1.283 1.00 0.00 N ATOM 320 CA ILE A 20 10.971 -5.937 -0.453 1.00 0.00 C ATOM 321 C ILE A 20 12.141 -5.737 0.525 1.00 0.00 C ATOM 322 O ILE A 20 11.974 -5.944 1.730 1.00 0.00 O ATOM 323 CB ILE A 20 11.086 -7.182 -1.381 1.00 0.00 C ATOM 324 CG1 ILE A 20 9.869 -7.256 -2.331 1.00 0.00 C ATOM 325 CG2 ILE A 20 11.180 -8.470 -0.559 1.00 0.00 C ATOM 326 CD1 ILE A 20 9.948 -8.295 -3.455 1.00 0.00 C ATOM 0 H ILE A 20 11.283 -4.882 -2.213 1.00 0.00 H new ATOM 0 HA ILE A 20 10.083 -6.108 0.155 1.00 0.00 H new ATOM 0 HB ILE A 20 11.997 -7.080 -1.971 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.981 -7.464 -1.734 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.727 -6.274 -2.782 1.00 0.00 H new ATOM 0 HG21 ILE A 20 11.259 -9.325 -1.230 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.061 -8.429 0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.287 -8.574 0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.038 -8.253 -4.054 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.810 -8.082 -4.088 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.052 -9.291 -3.024 1.00 0.00 H new ATOM 338 N GLU A 21 13.279 -5.244 0.026 1.00 0.00 N ATOM 339 CA GLU A 21 14.462 -4.910 0.817 1.00 0.00 C ATOM 340 C GLU A 21 14.148 -3.864 1.886 1.00 0.00 C ATOM 341 O GLU A 21 14.651 -3.944 3.006 1.00 0.00 O ATOM 342 CB GLU A 21 15.539 -4.311 -0.090 1.00 0.00 C ATOM 343 CG GLU A 21 16.159 -5.325 -1.047 1.00 0.00 C ATOM 344 CD GLU A 21 17.443 -5.969 -0.492 1.00 0.00 C ATOM 345 OE1 GLU A 21 17.425 -6.524 0.633 1.00 0.00 O ATOM 346 OE2 GLU A 21 18.490 -5.923 -1.183 1.00 0.00 O ATOM 0 H GLU A 21 13.403 -5.062 -0.970 1.00 0.00 H new ATOM 0 HA GLU A 21 14.800 -5.832 1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.104 -3.496 -0.668 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.325 -3.879 0.529 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.430 -6.107 -1.261 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.386 -4.833 -1.993 1.00 0.00 H new ATOM 353 N ASP A 22 13.325 -2.869 1.539 1.00 0.00 N ATOM 354 CA ASP A 22 12.959 -1.766 2.431 1.00 0.00 C ATOM 355 C ASP A 22 12.248 -2.276 3.676 1.00 0.00 C ATOM 356 O ASP A 22 12.554 -1.890 4.807 1.00 0.00 O ATOM 357 CB ASP A 22 12.015 -0.797 1.721 1.00 0.00 C ATOM 358 CG ASP A 22 11.656 0.380 2.643 1.00 0.00 C ATOM 359 OD1 ASP A 22 12.534 1.241 2.893 1.00 0.00 O ATOM 360 OD2 ASP A 22 10.490 0.457 3.098 1.00 0.00 O ATOM 0 H ASP A 22 12.889 -2.807 0.619 1.00 0.00 H new ATOM 0 HA ASP A 22 13.884 -1.263 2.714 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.485 -0.423 0.811 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.107 -1.320 1.419 1.00 0.00 H new ATOM 365 N ARG A 23 11.321 -3.205 3.444 1.00 0.00 N ATOM 366 CA ARG A 23 10.594 -3.920 4.486 1.00 0.00 C ATOM 367 C ARG A 23 11.490 -4.934 5.208 1.00 0.00 C ATOM 368 O ARG A 23 11.056 -5.537 6.190 1.00 0.00 O ATOM 369 CB ARG A 23 9.349 -4.566 3.860 1.00 0.00 C ATOM 370 CG ARG A 23 8.348 -3.506 3.386 1.00 0.00 C ATOM 371 CD ARG A 23 7.302 -4.100 2.441 1.00 0.00 C ATOM 372 NE ARG A 23 6.281 -3.091 2.121 1.00 0.00 N ATOM 373 CZ ARG A 23 6.357 -2.114 1.211 1.00 0.00 C ATOM 374 NH1 ARG A 23 7.415 -1.982 0.415 1.00 0.00 N ATOM 375 NH2 ARG A 23 5.337 -1.272 1.137 1.00 0.00 N ATOM 0 H ARG A 23 11.050 -3.486 2.502 1.00 0.00 H new ATOM 0 HA ARG A 23 10.272 -3.220 5.257 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.646 -5.191 3.018 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.871 -5.220 4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.850 -3.064 4.249 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.882 -2.702 2.879 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.782 -4.446 1.526 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.834 -4.969 2.904 1.00 0.00 H new ATOM 0 HE ARG A 23 5.414 -3.142 2.655 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.195 -2.636 0.490 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.446 -1.227 -0.270 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.537 -1.384 1.759 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.352 -0.511 0.458 1.00 0.00 H new ATOM 389 N GLY A 24 12.729 -5.122 4.748 1.00 0.00 N ATOM 390 CA GLY A 24 13.707 -6.014 5.346 1.00 0.00 C ATOM 391 C GLY A 24 13.473 -7.482 4.985 1.00 0.00 C ATOM 392 O GLY A 24 14.093 -8.360 5.594 1.00 0.00 O ATOM 0 H GLY A 24 13.084 -4.639 3.923 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.705 -5.720 5.022 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.678 -5.903 6.430 1.00 0.00 H new ATOM 396 N PHE A 25 12.597 -7.756 4.014 1.00 0.00 N ATOM 397 CA PHE A 25 12.459 -9.082 3.411 1.00 0.00 C ATOM 398 C PHE A 25 13.508 -9.207 2.286 1.00 0.00 C ATOM 399 O PHE A 25 14.324 -8.306 2.072 1.00 0.00 O ATOM 400 CB PHE A 25 11.003 -9.301 2.945 1.00 0.00 C ATOM 401 CG PHE A 25 10.002 -9.293 4.088 1.00 0.00 C ATOM 402 CD1 PHE A 25 9.579 -8.060 4.614 1.00 0.00 C ATOM 403 CD2 PHE A 25 9.550 -10.487 4.686 1.00 0.00 C ATOM 404 CE1 PHE A 25 8.790 -8.006 5.773 1.00 0.00 C ATOM 405 CE2 PHE A 25 8.790 -10.433 5.860 1.00 0.00 C ATOM 406 CZ PHE A 25 8.414 -9.197 6.415 1.00 0.00 C ATOM 0 H PHE A 25 11.962 -7.060 3.623 1.00 0.00 H new ATOM 0 HA PHE A 25 12.655 -9.877 4.131 1.00 0.00 H new ATOM 0 HB2 PHE A 25 10.736 -8.522 2.231 1.00 0.00 H new ATOM 0 HB3 PHE A 25 10.936 -10.253 2.418 1.00 0.00 H new ATOM 0 HD1 PHE A 25 9.865 -7.143 4.120 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.790 -11.441 4.239 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.473 -7.053 6.170 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.489 -11.350 6.345 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.840 -9.164 7.329 1.00 0.00 H new ATOM 416 N ASP A 26 13.479 -10.313 1.542 1.00 0.00 N ATOM 417 CA ASP A 26 14.313 -10.528 0.357 1.00 0.00 C ATOM 418 C ASP A 26 13.407 -11.111 -0.712 1.00 0.00 C ATOM 419 O ASP A 26 12.500 -11.872 -0.365 1.00 0.00 O ATOM 420 CB ASP A 26 15.431 -11.531 0.641 1.00 0.00 C ATOM 421 CG ASP A 26 16.564 -11.393 -0.379 1.00 0.00 C ATOM 422 OD1 ASP A 26 16.391 -11.900 -1.512 1.00 0.00 O ATOM 423 OD2 ASP A 26 17.611 -10.790 -0.052 1.00 0.00 O ATOM 0 H ASP A 26 12.864 -11.100 1.749 1.00 0.00 H new ATOM 0 HA ASP A 26 14.771 -9.587 0.051 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.821 -11.372 1.646 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.031 -12.545 0.611 1.00 0.00 H new ATOM 428 N ARG A 27 13.634 -10.803 -1.991 1.00 0.00 N ATOM 429 CA ARG A 27 12.833 -11.368 -3.081 1.00 0.00 C ATOM 430 C ARG A 27 12.790 -12.900 -2.999 1.00 0.00 C ATOM 431 O ARG A 27 11.765 -13.487 -3.325 1.00 0.00 O ATOM 432 CB ARG A 27 13.371 -10.861 -4.443 1.00 0.00 C ATOM 433 CG ARG A 27 14.666 -11.590 -4.848 1.00 0.00 C ATOM 434 CD ARG A 27 15.484 -10.978 -5.981 1.00 0.00 C ATOM 435 NE ARG A 27 16.726 -11.757 -6.112 1.00 0.00 N ATOM 436 CZ ARG A 27 17.734 -11.560 -6.963 1.00 0.00 C ATOM 437 NH1 ARG A 27 17.705 -10.571 -7.853 1.00 0.00 N ATOM 438 NH2 ARG A 27 18.769 -12.389 -6.886 1.00 0.00 N ATOM 0 H ARG A 27 14.367 -10.164 -2.298 1.00 0.00 H new ATOM 0 HA ARG A 27 11.802 -11.028 -2.983 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.613 -11.010 -5.212 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.559 -9.789 -4.384 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.305 -11.658 -3.968 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.405 -12.610 -5.132 1.00 0.00 H new ATOM 0 HD2 ARG A 27 14.920 -10.999 -6.914 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.709 -9.933 -5.768 1.00 0.00 H new ATOM 0 HE ARG A 27 16.829 -12.545 -5.473 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.901 -9.945 -7.894 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.487 -10.439 -8.494 1.00 0.00 H new ATOM 0 HH21 ARG A 27 18.771 -13.140 -6.195 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.562 -12.275 -7.518 1.00 0.00 H new ATOM 452 N GLU A 28 13.878 -13.543 -2.570 1.00 0.00 N ATOM 453 CA GLU A 28 13.995 -14.986 -2.470 1.00 0.00 C ATOM 454 C GLU A 28 13.315 -15.451 -1.185 1.00 0.00 C ATOM 455 O GLU A 28 12.518 -16.384 -1.195 1.00 0.00 O ATOM 456 CB GLU A 28 15.498 -15.301 -2.477 1.00 0.00 C ATOM 457 CG GLU A 28 16.027 -15.166 -3.911 1.00 0.00 C ATOM 458 CD GLU A 28 17.558 -15.049 -4.046 1.00 0.00 C ATOM 459 OE1 GLU A 28 18.304 -15.871 -3.456 1.00 0.00 O ATOM 460 OE2 GLU A 28 18.019 -14.150 -4.796 1.00 0.00 O ATOM 0 H GLU A 28 14.723 -13.053 -2.276 1.00 0.00 H new ATOM 0 HA GLU A 28 13.509 -15.506 -3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 28 16.029 -14.619 -1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 28 15.674 -16.310 -2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 28 15.694 -16.031 -4.485 1.00 0.00 H new ATOM 0 HG3 GLU A 28 15.571 -14.287 -4.366 1.00 0.00 H new ATOM 467 N GLU A 29 13.573 -14.754 -0.083 1.00 0.00 N ATOM 468 CA GLU A 29 13.078 -15.101 1.237 1.00 0.00 C ATOM 469 C GLU A 29 11.560 -15.095 1.304 1.00 0.00 C ATOM 470 O GLU A 29 10.981 -15.943 1.975 1.00 0.00 O ATOM 471 CB GLU A 29 13.649 -14.107 2.250 1.00 0.00 C ATOM 472 CG GLU A 29 15.138 -14.348 2.493 1.00 0.00 C ATOM 473 CD GLU A 29 15.401 -15.551 3.426 1.00 0.00 C ATOM 474 OE1 GLU A 29 14.870 -15.585 4.563 1.00 0.00 O ATOM 475 OE2 GLU A 29 16.142 -16.478 3.023 1.00 0.00 O ATOM 0 H GLU A 29 14.147 -13.911 -0.088 1.00 0.00 H new ATOM 0 HA GLU A 29 13.402 -16.116 1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.498 -13.090 1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.107 -14.194 3.192 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.635 -14.518 1.538 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.581 -13.452 2.928 1.00 0.00 H new ATOM 482 N ILE A 30 10.932 -14.170 0.588 1.00 0.00 N ATOM 483 CA ILE A 30 9.480 -14.136 0.424 1.00 0.00 C ATOM 484 C ILE A 30 8.989 -15.518 -0.025 1.00 0.00 C ATOM 485 O ILE A 30 8.066 -16.059 0.581 1.00 0.00 O ATOM 486 CB ILE A 30 9.068 -13.032 -0.574 1.00 0.00 C ATOM 487 CG1 ILE A 30 9.387 -11.624 -0.025 1.00 0.00 C ATOM 488 CG2 ILE A 30 7.590 -13.134 -1.008 1.00 0.00 C ATOM 489 CD1 ILE A 30 8.275 -10.920 0.769 1.00 0.00 C ATOM 0 H ILE A 30 11.417 -13.417 0.101 1.00 0.00 H new ATOM 0 HA ILE A 30 9.011 -13.894 1.378 1.00 0.00 H new ATOM 0 HB ILE A 30 9.669 -13.194 -1.469 1.00 0.00 H new ATOM 0 HG12 ILE A 30 10.265 -11.701 0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.660 -10.986 -0.865 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.360 -12.332 -1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.418 -14.097 -1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.947 -13.046 -0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.626 -9.942 1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.397 -10.796 0.135 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.012 -11.522 1.639 1.00 0.00 H new ATOM 501 N TRP A 31 9.595 -16.107 -1.053 1.00 0.00 N ATOM 502 CA TRP A 31 9.110 -17.365 -1.624 1.00 0.00 C ATOM 503 C TRP A 31 9.619 -18.595 -0.872 1.00 0.00 C ATOM 504 O TRP A 31 8.975 -19.648 -0.928 1.00 0.00 O ATOM 505 CB TRP A 31 9.521 -17.449 -3.095 1.00 0.00 C ATOM 506 CG TRP A 31 9.128 -16.261 -3.908 1.00 0.00 C ATOM 507 CD1 TRP A 31 9.985 -15.523 -4.641 1.00 0.00 C ATOM 508 CD2 TRP A 31 7.832 -15.589 -4.001 1.00 0.00 C ATOM 509 NE1 TRP A 31 9.342 -14.393 -5.104 1.00 0.00 N ATOM 510 CE2 TRP A 31 8.024 -14.359 -4.697 1.00 0.00 C ATOM 511 CE3 TRP A 31 6.522 -15.874 -3.554 1.00 0.00 C ATOM 512 CZ2 TRP A 31 6.990 -13.428 -4.867 1.00 0.00 C ATOM 513 CZ3 TRP A 31 5.461 -14.974 -3.783 1.00 0.00 C ATOM 514 CH2 TRP A 31 5.694 -13.749 -4.427 1.00 0.00 C ATOM 0 H TRP A 31 10.426 -15.733 -1.511 1.00 0.00 H new ATOM 0 HA TRP A 31 8.024 -17.365 -1.531 1.00 0.00 H new ATOM 0 HB2 TRP A 31 10.602 -17.573 -3.152 1.00 0.00 H new ATOM 0 HB3 TRP A 31 9.074 -18.341 -3.535 1.00 0.00 H new ATOM 0 HD1 TRP A 31 11.016 -15.777 -4.836 1.00 0.00 H new ATOM 0 HE1 TRP A 31 9.785 -13.674 -5.675 1.00 0.00 H new ATOM 0 HE3 TRP A 31 6.330 -16.797 -3.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 7.187 -12.473 -5.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 4.462 -15.229 -3.461 1.00 0.00 H new ATOM 0 HH2 TRP A 31 4.881 -13.056 -4.584 1.00 0.00 H new ATOM 525 N TYR A 32 10.776 -18.484 -0.214 1.00 0.00 N ATOM 526 CA TYR A 32 11.502 -19.635 0.315 1.00 0.00 C ATOM 527 C TYR A 32 11.202 -19.847 1.810 1.00 0.00 C ATOM 528 O TYR A 32 11.413 -20.947 2.329 1.00 0.00 O ATOM 529 CB TYR A 32 13.004 -19.470 0.002 1.00 0.00 C ATOM 530 CG TYR A 32 13.405 -19.304 -1.464 1.00 0.00 C ATOM 531 CD1 TYR A 32 12.518 -19.591 -2.529 1.00 0.00 C ATOM 532 CD2 TYR A 32 14.697 -18.833 -1.767 1.00 0.00 C ATOM 533 CE1 TYR A 32 12.891 -19.344 -3.860 1.00 0.00 C ATOM 534 CE2 TYR A 32 15.100 -18.657 -3.099 1.00 0.00 C ATOM 535 CZ TYR A 32 14.194 -18.890 -4.157 1.00 0.00 C ATOM 536 OH TYR A 32 14.583 -18.662 -5.447 1.00 0.00 O ATOM 0 H TYR A 32 11.234 -17.591 -0.034 1.00 0.00 H new ATOM 0 HA TYR A 32 11.163 -20.548 -0.174 1.00 0.00 H new ATOM 0 HB2 TYR A 32 13.369 -18.602 0.551 1.00 0.00 H new ATOM 0 HB3 TYR A 32 13.528 -20.340 0.398 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.543 -20.005 -2.316 1.00 0.00 H new ATOM 0 HD2 TYR A 32 15.384 -18.605 -0.966 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.180 -19.502 -4.657 1.00 0.00 H new ATOM 0 HE2 TYR A 32 16.110 -18.341 -3.317 1.00 0.00 H new ATOM 0 HH TYR A 32 15.513 -18.352 -5.458 1.00 0.00 H new ATOM 546 N ASN A 33 10.657 -18.833 2.494 1.00 0.00 N ATOM 547 CA ASN A 33 9.906 -18.975 3.748 1.00 0.00 C ATOM 548 C ASN A 33 8.428 -19.257 3.399 1.00 0.00 C ATOM 549 O ASN A 33 8.101 -19.451 2.224 1.00 0.00 O ATOM 550 CB ASN A 33 10.049 -17.673 4.553 1.00 0.00 C ATOM 551 CG ASN A 33 11.469 -17.453 5.072 1.00 0.00 C ATOM 552 OD1 ASN A 33 11.904 -18.078 6.036 1.00 0.00 O ATOM 553 ND2 ASN A 33 12.204 -16.555 4.443 1.00 0.00 N ATOM 0 H ASN A 33 10.728 -17.865 2.182 1.00 0.00 H new ATOM 0 HA ASN A 33 10.288 -19.799 4.350 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.761 -16.829 3.926 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.358 -17.694 5.396 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.157 -16.367 4.755 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.819 -16.049 3.645 1.00 0.00 H new ATOM 560 N ARG A 34 7.515 -19.253 4.383 1.00 0.00 N ATOM 561 CA ARG A 34 6.068 -19.395 4.129 1.00 0.00 C ATOM 562 C ARG A 34 5.266 -18.402 4.956 1.00 0.00 C ATOM 563 O ARG A 34 4.413 -17.681 4.446 1.00 0.00 O ATOM 564 CB ARG A 34 5.644 -20.851 4.394 1.00 0.00 C ATOM 565 CG ARG A 34 4.119 -21.049 4.334 1.00 0.00 C ATOM 566 CD ARG A 34 3.768 -22.539 4.261 1.00 0.00 C ATOM 567 NE ARG A 34 2.309 -22.758 4.270 1.00 0.00 N ATOM 568 CZ ARG A 34 1.692 -23.947 4.234 1.00 0.00 C ATOM 569 NH1 ARG A 34 2.397 -25.080 4.186 1.00 0.00 N ATOM 570 NH2 ARG A 34 0.362 -24.001 4.247 1.00 0.00 N ATOM 0 H ARG A 34 7.753 -19.152 5.370 1.00 0.00 H new ATOM 0 HA ARG A 34 5.859 -19.164 3.085 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.119 -21.502 3.660 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.007 -21.157 5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.655 -20.604 5.214 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.714 -20.532 3.464 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.195 -22.969 3.355 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.219 -23.061 5.105 1.00 0.00 H new ATOM 0 HE ARG A 34 1.716 -21.929 4.307 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.416 -25.046 4.176 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.916 -25.979 4.159 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.183 -23.140 4.284 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.112 -24.904 4.220 1.00 0.00 H new ATOM 584 N GLU A 35 5.570 -18.323 6.246 1.00 0.00 N ATOM 585 CA GLU A 35 4.972 -17.356 7.150 1.00 0.00 C ATOM 586 C GLU A 35 5.434 -15.935 6.803 1.00 0.00 C ATOM 587 O GLU A 35 4.657 -14.986 6.888 1.00 0.00 O ATOM 588 CB GLU A 35 5.276 -17.734 8.617 1.00 0.00 C ATOM 589 CG GLU A 35 6.754 -17.716 9.069 1.00 0.00 C ATOM 590 CD GLU A 35 7.603 -18.870 8.490 1.00 0.00 C ATOM 591 OE1 GLU A 35 8.024 -18.770 7.312 1.00 0.00 O ATOM 592 OE2 GLU A 35 7.828 -19.880 9.202 1.00 0.00 O ATOM 0 H GLU A 35 6.248 -18.938 6.696 1.00 0.00 H new ATOM 0 HA GLU A 35 3.889 -17.375 7.030 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.719 -17.054 9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.883 -18.735 8.795 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.202 -16.767 8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.791 -17.762 10.157 1.00 0.00 H new ATOM 599 N ARG A 36 6.685 -15.777 6.349 1.00 0.00 N ATOM 600 CA ARG A 36 7.244 -14.479 5.993 1.00 0.00 C ATOM 601 C ARG A 36 6.793 -14.025 4.608 1.00 0.00 C ATOM 602 O ARG A 36 6.965 -12.855 4.275 1.00 0.00 O ATOM 603 CB ARG A 36 8.764 -14.523 6.112 1.00 0.00 C ATOM 604 CG ARG A 36 9.293 -14.687 7.551 1.00 0.00 C ATOM 605 CD ARG A 36 8.577 -13.828 8.607 1.00 0.00 C ATOM 606 NE ARG A 36 9.190 -13.960 9.937 1.00 0.00 N ATOM 607 CZ ARG A 36 8.650 -13.531 11.088 1.00 0.00 C ATOM 608 NH1 ARG A 36 7.462 -12.929 11.113 1.00 0.00 N ATOM 609 NH2 ARG A 36 9.313 -13.716 12.226 1.00 0.00 N ATOM 0 H ARG A 36 7.335 -16.553 6.220 1.00 0.00 H new ATOM 0 HA ARG A 36 6.864 -13.735 6.693 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.139 -15.348 5.506 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.175 -13.605 5.691 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.206 -15.735 7.837 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.355 -14.440 7.562 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.601 -12.782 8.300 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.528 -14.121 8.661 1.00 0.00 H new ATOM 0 HE ARG A 36 10.101 -14.415 9.989 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.944 -12.786 10.246 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.070 -12.611 11.999 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.222 -14.180 12.217 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.913 -13.394 13.107 1.00 0.00 H new ATOM 623 N SER A 37 6.199 -14.913 3.814 1.00 0.00 N ATOM 624 CA SER A 37 5.526 -14.499 2.596 1.00 0.00 C ATOM 625 C SER A 37 4.252 -13.720 2.954 1.00 0.00 C ATOM 626 O SER A 37 3.976 -12.683 2.358 1.00 0.00 O ATOM 627 CB SER A 37 5.185 -15.700 1.700 1.00 0.00 C ATOM 628 OG SER A 37 6.003 -16.825 1.963 1.00 0.00 O ATOM 0 H SER A 37 6.173 -15.917 3.995 1.00 0.00 H new ATOM 0 HA SER A 37 6.202 -13.855 2.033 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.140 -15.973 1.847 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.295 -15.412 0.655 1.00 0.00 H new ATOM 0 HG SER A 37 6.769 -16.823 1.352 1.00 0.00 H new ATOM 634 N GLU A 38 3.505 -14.190 3.964 1.00 0.00 N ATOM 635 CA GLU A 38 2.187 -13.691 4.335 1.00 0.00 C ATOM 636 C GLU A 38 2.178 -12.193 4.634 1.00 0.00 C ATOM 637 O GLU A 38 1.206 -11.489 4.367 1.00 0.00 O ATOM 638 CB GLU A 38 1.664 -14.525 5.515 1.00 0.00 C ATOM 639 CG GLU A 38 0.140 -14.505 5.549 1.00 0.00 C ATOM 640 CD GLU A 38 -0.405 -15.250 6.780 1.00 0.00 C ATOM 641 OE1 GLU A 38 -0.483 -16.501 6.749 1.00 0.00 O ATOM 642 OE2 GLU A 38 -0.775 -14.588 7.780 1.00 0.00 O ATOM 0 H GLU A 38 3.820 -14.955 4.561 1.00 0.00 H new ATOM 0 HA GLU A 38 1.517 -13.806 3.483 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.018 -15.552 5.427 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.060 -14.130 6.451 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.211 -13.473 5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.252 -14.964 4.641 1.00 0.00 H new ATOM 649 N GLU A 39 3.297 -11.703 5.138 1.00 0.00 N ATOM 650 CA GLU A 39 3.533 -10.335 5.551 1.00 0.00 C ATOM 651 C GLU A 39 3.439 -9.379 4.362 1.00 0.00 C ATOM 652 O GLU A 39 2.997 -8.240 4.518 1.00 0.00 O ATOM 653 CB GLU A 39 4.939 -10.212 6.161 1.00 0.00 C ATOM 654 CG GLU A 39 5.493 -11.427 6.901 1.00 0.00 C ATOM 655 CD GLU A 39 4.872 -11.736 8.279 1.00 0.00 C ATOM 656 OE1 GLU A 39 3.678 -11.443 8.524 1.00 0.00 O ATOM 657 OE2 GLU A 39 5.618 -12.263 9.142 1.00 0.00 O ATOM 0 H GLU A 39 4.118 -12.292 5.278 1.00 0.00 H new ATOM 0 HA GLU A 39 2.772 -10.071 6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.633 -9.961 5.359 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.933 -9.370 6.853 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.364 -12.302 6.264 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.566 -11.286 7.034 1.00 0.00 H new ATOM 664 N LEU A 40 3.850 -9.849 3.177 1.00 0.00 N ATOM 665 CA LEU A 40 3.752 -9.073 1.952 1.00 0.00 C ATOM 666 C LEU A 40 2.261 -8.838 1.686 1.00 0.00 C ATOM 667 O LEU A 40 1.831 -7.727 1.386 1.00 0.00 O ATOM 668 CB LEU A 40 4.427 -9.850 0.804 1.00 0.00 C ATOM 669 CG LEU A 40 4.765 -9.098 -0.506 1.00 0.00 C ATOM 670 CD1 LEU A 40 4.613 -10.041 -1.701 1.00 0.00 C ATOM 671 CD2 LEU A 40 4.011 -7.786 -0.725 1.00 0.00 C ATOM 0 H LEU A 40 4.257 -10.775 3.050 1.00 0.00 H new ATOM 0 HA LEU A 40 4.260 -8.112 2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.354 -10.272 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.779 -10.688 0.546 1.00 0.00 H new ATOM 0 HG LEU A 40 5.804 -8.785 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.852 -9.506 -2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.292 -10.886 -1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.586 -10.404 -1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.322 -7.341 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.939 -7.982 -0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.234 -7.098 0.090 1.00 0.00 H new ATOM 683 N PHE A 41 1.460 -9.890 1.835 1.00 0.00 N ATOM 684 CA PHE A 41 0.049 -9.879 1.502 1.00 0.00 C ATOM 685 C PHE A 41 -0.698 -9.020 2.528 1.00 0.00 C ATOM 686 O PHE A 41 -1.541 -8.203 2.167 1.00 0.00 O ATOM 687 CB PHE A 41 -0.480 -11.323 1.459 1.00 0.00 C ATOM 688 CG PHE A 41 0.462 -12.382 0.891 1.00 0.00 C ATOM 689 CD1 PHE A 41 1.416 -12.083 -0.103 1.00 0.00 C ATOM 690 CD2 PHE A 41 0.438 -13.674 1.439 1.00 0.00 C ATOM 691 CE1 PHE A 41 2.357 -13.047 -0.498 1.00 0.00 C ATOM 692 CE2 PHE A 41 1.335 -14.660 0.992 1.00 0.00 C ATOM 693 CZ PHE A 41 2.294 -14.351 0.018 1.00 0.00 C ATOM 0 H PHE A 41 1.785 -10.787 2.197 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.112 -9.443 0.516 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.750 -11.617 2.473 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.397 -11.332 0.870 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.423 -11.106 -0.564 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.277 -13.913 2.212 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.133 -12.784 -1.202 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.285 -15.659 1.400 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.978 -15.109 -0.333 1.00 0.00 H new ATOM 703 N TRP A 42 -0.335 -9.131 3.808 1.00 0.00 N ATOM 704 CA TRP A 42 -0.839 -8.232 4.831 1.00 0.00 C ATOM 705 C TRP A 42 -0.542 -6.768 4.484 1.00 0.00 C ATOM 706 O TRP A 42 -1.427 -5.932 4.654 1.00 0.00 O ATOM 707 CB TRP A 42 -0.273 -8.626 6.198 1.00 0.00 C ATOM 708 CG TRP A 42 -0.982 -9.789 6.823 1.00 0.00 C ATOM 709 CD1 TRP A 42 -0.471 -11.022 7.023 1.00 0.00 C ATOM 710 CD2 TRP A 42 -2.363 -9.860 7.300 1.00 0.00 C ATOM 711 NE1 TRP A 42 -1.427 -11.845 7.581 1.00 0.00 N ATOM 712 CE2 TRP A 42 -2.622 -11.185 7.768 1.00 0.00 C ATOM 713 CE3 TRP A 42 -3.430 -8.934 7.372 1.00 0.00 C ATOM 714 CZ2 TRP A 42 -3.874 -11.570 8.272 1.00 0.00 C ATOM 715 CZ3 TRP A 42 -4.691 -9.311 7.877 1.00 0.00 C ATOM 716 CH2 TRP A 42 -4.912 -10.626 8.328 1.00 0.00 C ATOM 0 H TRP A 42 0.310 -9.841 4.155 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.924 -8.325 4.876 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.784 -8.870 6.089 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.334 -7.769 6.869 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.538 -11.321 6.782 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.269 -12.823 7.825 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.276 -7.920 7.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.037 -12.582 8.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.492 -8.587 7.918 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.879 -10.909 8.717 1.00 0.00 H new ATOM 727 N GLU A 43 0.641 -6.447 3.953 1.00 0.00 N ATOM 728 CA GLU A 43 1.014 -5.091 3.566 1.00 0.00 C ATOM 729 C GLU A 43 0.116 -4.511 2.461 1.00 0.00 C ATOM 730 O GLU A 43 0.032 -3.285 2.346 1.00 0.00 O ATOM 731 CB GLU A 43 2.496 -5.055 3.126 1.00 0.00 C ATOM 732 CG GLU A 43 3.411 -4.418 4.172 1.00 0.00 C ATOM 733 CD GLU A 43 3.263 -2.887 4.200 1.00 0.00 C ATOM 734 OE1 GLU A 43 3.857 -2.223 3.314 1.00 0.00 O ATOM 735 OE2 GLU A 43 2.593 -2.354 5.116 1.00 0.00 O ATOM 0 H GLU A 43 1.374 -7.134 3.779 1.00 0.00 H new ATOM 0 HA GLU A 43 0.873 -4.461 4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.835 -6.071 2.925 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.579 -4.500 2.191 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.177 -4.824 5.156 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.447 -4.680 3.957 1.00 0.00 H new ATOM 742 N VAL A 44 -0.567 -5.334 1.658 1.00 0.00 N ATOM 743 CA VAL A 44 -1.374 -4.863 0.549 1.00 0.00 C ATOM 744 C VAL A 44 -2.858 -4.909 0.870 1.00 0.00 C ATOM 745 O VAL A 44 -3.588 -3.984 0.532 1.00 0.00 O ATOM 746 CB VAL A 44 -1.051 -5.649 -0.714 1.00 0.00 C ATOM 747 CG1 VAL A 44 0.352 -5.288 -1.193 1.00 0.00 C ATOM 748 CG2 VAL A 44 -1.079 -7.162 -0.594 1.00 0.00 C ATOM 0 H VAL A 44 -0.570 -6.348 1.767 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.124 -3.817 0.373 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.848 -5.367 -1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.584 -5.851 -2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.400 -4.220 -1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.076 -5.535 -0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.833 -7.608 -1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.350 -7.481 0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.074 -7.484 -0.289 1.00 0.00 H new ATOM 758 N MET A 45 -3.306 -5.936 1.579 1.00 0.00 N ATOM 759 CA MET A 45 -4.601 -5.933 2.236 1.00 0.00 C ATOM 760 C MET A 45 -4.734 -4.682 3.104 1.00 0.00 C ATOM 761 O MET A 45 -5.767 -4.020 3.067 1.00 0.00 O ATOM 762 CB MET A 45 -4.745 -7.197 3.092 1.00 0.00 C ATOM 763 CG MET A 45 -5.381 -8.344 2.312 1.00 0.00 C ATOM 764 SD MET A 45 -4.480 -8.979 0.866 1.00 0.00 S ATOM 765 CE MET A 45 -5.395 -8.186 -0.489 1.00 0.00 C ATOM 0 H MET A 45 -2.777 -6.798 1.714 1.00 0.00 H new ATOM 0 HA MET A 45 -5.392 -5.924 1.486 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.764 -7.504 3.453 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.352 -6.974 3.969 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.537 -9.174 3.002 1.00 0.00 H new ATOM 0 HG3 MET A 45 -6.366 -8.018 1.978 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.105 -8.638 -1.437 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.465 -8.323 -0.334 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.165 -7.121 -0.509 1.00 0.00 H new ATOM 775 N ASP A 46 -3.681 -4.334 3.840 1.00 0.00 N ATOM 776 CA ASP A 46 -3.599 -3.093 4.603 1.00 0.00 C ATOM 777 C ASP A 46 -3.894 -1.861 3.747 1.00 0.00 C ATOM 778 O ASP A 46 -4.684 -1.008 4.159 1.00 0.00 O ATOM 779 CB ASP A 46 -2.223 -2.922 5.241 1.00 0.00 C ATOM 780 CG ASP A 46 -2.166 -1.583 5.996 1.00 0.00 C ATOM 781 OD1 ASP A 46 -2.724 -1.502 7.117 1.00 0.00 O ATOM 782 OD2 ASP A 46 -1.556 -0.615 5.483 1.00 0.00 O ATOM 0 H ASP A 46 -2.848 -4.916 3.924 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.360 -3.172 5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.024 -3.746 5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.449 -2.951 4.474 1.00 0.00 H new ATOM 787 N GLU A 47 -3.327 -1.787 2.538 1.00 0.00 N ATOM 788 CA GLU A 47 -3.543 -0.712 1.583 1.00 0.00 C ATOM 789 C GLU A 47 -5.011 -0.606 1.111 1.00 0.00 C ATOM 790 O GLU A 47 -5.369 0.356 0.425 1.00 0.00 O ATOM 791 CB GLU A 47 -2.593 -0.926 0.384 1.00 0.00 C ATOM 792 CG GLU A 47 -1.361 -0.022 0.385 1.00 0.00 C ATOM 793 CD GLU A 47 -1.727 1.467 0.230 1.00 0.00 C ATOM 794 OE1 GLU A 47 -1.900 1.941 -0.919 1.00 0.00 O ATOM 795 OE2 GLU A 47 -1.826 2.182 1.258 1.00 0.00 O ATOM 0 H GLU A 47 -2.685 -2.501 2.193 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.325 0.234 2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.266 -1.966 0.377 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.149 -0.760 -0.539 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.810 -0.163 1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.696 -0.317 -0.427 1.00 0.00 H new ATOM 802 N VAL A 48 -5.864 -1.561 1.486 1.00 0.00 N ATOM 803 CA VAL A 48 -7.260 -1.678 1.072 1.00 0.00 C ATOM 804 C VAL A 48 -8.163 -1.848 2.307 1.00 0.00 C ATOM 805 O VAL A 48 -9.381 -1.911 2.171 1.00 0.00 O ATOM 806 CB VAL A 48 -7.389 -2.860 0.066 1.00 0.00 C ATOM 807 CG1 VAL A 48 -8.769 -2.915 -0.609 1.00 0.00 C ATOM 808 CG2 VAL A 48 -6.370 -2.811 -1.089 1.00 0.00 C ATOM 0 H VAL A 48 -5.584 -2.311 2.119 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.589 -0.770 0.566 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.211 -3.733 0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.803 -3.758 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.541 -3.037 0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.943 -1.989 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.524 -3.667 -1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.506 -1.890 -1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.359 -2.842 -0.684 1.00 0.00 H new ATOM 818 N HIS A 49 -7.610 -1.928 3.523 1.00 0.00 N ATOM 819 CA HIS A 49 -8.311 -2.521 4.656 1.00 0.00 C ATOM 820 C HIS A 49 -9.630 -1.827 5.023 1.00 0.00 C ATOM 821 O HIS A 49 -10.559 -2.494 5.481 1.00 0.00 O ATOM 822 CB HIS A 49 -7.386 -2.620 5.871 1.00 0.00 C ATOM 823 CG HIS A 49 -7.871 -3.619 6.888 1.00 0.00 C ATOM 824 ND1 HIS A 49 -8.370 -3.356 8.146 1.00 0.00 N ATOM 825 CD2 HIS A 49 -7.925 -4.974 6.704 1.00 0.00 C ATOM 826 CE1 HIS A 49 -8.715 -4.531 8.704 1.00 0.00 C ATOM 827 NE2 HIS A 49 -8.463 -5.553 7.861 1.00 0.00 N ATOM 0 H HIS A 49 -6.674 -1.586 3.743 1.00 0.00 H new ATOM 0 HA HIS A 49 -8.596 -3.522 4.333 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.386 -2.900 5.540 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -7.303 -1.640 6.341 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.608 -5.506 5.819 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.136 -4.641 9.692 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.630 -6.545 8.031 1.00 0.00 H new ATOM 835 N GLU A 50 -9.743 -0.516 4.778 1.00 0.00 N ATOM 836 CA GLU A 50 -10.969 0.249 5.026 1.00 0.00 C ATOM 837 C GLU A 50 -12.139 -0.205 4.128 1.00 0.00 C ATOM 838 O GLU A 50 -13.287 0.182 4.365 1.00 0.00 O ATOM 839 CB GLU A 50 -10.703 1.750 4.824 1.00 0.00 C ATOM 840 CG GLU A 50 -9.702 2.317 5.843 1.00 0.00 C ATOM 841 CD GLU A 50 -9.529 3.837 5.670 1.00 0.00 C ATOM 842 OE1 GLU A 50 -8.664 4.269 4.868 1.00 0.00 O ATOM 843 OE2 GLU A 50 -10.246 4.615 6.348 1.00 0.00 O ATOM 0 H GLU A 50 -8.981 0.047 4.400 1.00 0.00 H new ATOM 0 HA GLU A 50 -11.263 0.062 6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.322 1.915 3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.643 2.295 4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.047 2.101 6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.738 1.823 5.723 1.00 0.00 H new ATOM 850 N GLU A 51 -11.862 -1.023 3.109 1.00 0.00 N ATOM 851 CA GLU A 51 -12.830 -1.685 2.252 1.00 0.00 C ATOM 852 C GLU A 51 -12.780 -3.206 2.454 1.00 0.00 C ATOM 853 O GLU A 51 -13.824 -3.857 2.372 1.00 0.00 O ATOM 854 CB GLU A 51 -12.551 -1.324 0.787 1.00 0.00 C ATOM 855 CG GLU A 51 -12.888 0.144 0.513 1.00 0.00 C ATOM 856 CD GLU A 51 -12.499 0.545 -0.919 1.00 0.00 C ATOM 857 OE1 GLU A 51 -13.212 0.173 -1.882 1.00 0.00 O ATOM 858 OE2 GLU A 51 -11.452 1.207 -1.115 1.00 0.00 O ATOM 0 H GLU A 51 -10.901 -1.249 2.852 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.831 -1.344 2.517 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.502 -1.510 0.556 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.140 -1.965 0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.955 0.309 0.663 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.364 0.780 1.227 1.00 0.00 H new ATOM 865 N GLU A 52 -11.616 -3.790 2.773 1.00 0.00 N ATOM 866 CA GLU A 52 -11.518 -5.219 3.084 1.00 0.00 C ATOM 867 C GLU A 52 -12.384 -5.578 4.295 1.00 0.00 C ATOM 868 O GLU A 52 -12.871 -6.703 4.375 1.00 0.00 O ATOM 869 CB GLU A 52 -10.085 -5.684 3.342 1.00 0.00 C ATOM 870 CG GLU A 52 -9.140 -5.493 2.153 1.00 0.00 C ATOM 871 CD GLU A 52 -9.490 -6.366 0.933 1.00 0.00 C ATOM 872 OE1 GLU A 52 -10.431 -6.038 0.175 1.00 0.00 O ATOM 873 OE2 GLU A 52 -8.811 -7.392 0.697 1.00 0.00 O ATOM 0 H GLU A 52 -10.728 -3.291 2.822 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.881 -5.737 2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.687 -5.140 4.199 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.101 -6.740 3.613 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.155 -4.445 1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.122 -5.720 2.470 1.00 0.00 H new ATOM 880 N GLU A 53 -12.622 -4.646 5.225 1.00 0.00 N ATOM 881 CA GLU A 53 -13.503 -4.868 6.367 1.00 0.00 C ATOM 882 C GLU A 53 -14.933 -5.274 5.948 1.00 0.00 C ATOM 883 O GLU A 53 -15.633 -5.923 6.732 1.00 0.00 O ATOM 884 CB GLU A 53 -13.504 -3.647 7.306 1.00 0.00 C ATOM 885 CG GLU A 53 -14.052 -2.362 6.670 1.00 0.00 C ATOM 886 CD GLU A 53 -14.116 -1.227 7.710 1.00 0.00 C ATOM 887 OE1 GLU A 53 -13.095 -0.533 7.940 1.00 0.00 O ATOM 888 OE2 GLU A 53 -15.195 -1.030 8.327 1.00 0.00 O ATOM 0 H GLU A 53 -12.206 -3.715 5.203 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.101 -5.717 6.920 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -14.097 -3.883 8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -12.485 -3.464 7.646 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.417 -2.063 5.836 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.046 -2.546 6.263 1.00 0.00 H new ATOM 895 N PHE A 54 -15.364 -4.955 4.716 1.00 0.00 N ATOM 896 CA PHE A 54 -16.669 -5.353 4.191 1.00 0.00 C ATOM 897 C PHE A 54 -16.655 -6.777 3.607 1.00 0.00 C ATOM 898 O PHE A 54 -17.719 -7.306 3.279 1.00 0.00 O ATOM 899 CB PHE A 54 -17.121 -4.370 3.097 1.00 0.00 C ATOM 900 CG PHE A 54 -17.100 -2.895 3.469 1.00 0.00 C ATOM 901 CD1 PHE A 54 -17.672 -2.443 4.678 1.00 0.00 C ATOM 902 CD2 PHE A 54 -16.525 -1.962 2.582 1.00 0.00 C ATOM 903 CE1 PHE A 54 -17.646 -1.075 5.006 1.00 0.00 C ATOM 904 CE2 PHE A 54 -16.507 -0.594 2.908 1.00 0.00 C ATOM 905 CZ PHE A 54 -17.064 -0.151 4.120 1.00 0.00 C ATOM 0 H PHE A 54 -14.808 -4.410 4.057 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.366 -5.337 5.029 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -16.484 -4.512 2.224 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -18.135 -4.633 2.798 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -18.131 -3.150 5.353 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -16.097 -2.299 1.649 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -18.073 -0.735 5.938 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -16.065 0.117 2.226 1.00 0.00 H new ATOM 0 HZ PHE A 54 -17.045 0.899 4.371 1.00 0.00 H new ATOM 915 N ALA A 55 -15.475 -7.388 3.438 1.00 0.00 N ATOM 916 CA ALA A 55 -15.280 -8.596 2.638 1.00 0.00 C ATOM 917 C ALA A 55 -14.344 -9.617 3.289 1.00 0.00 C ATOM 918 O ALA A 55 -14.026 -10.642 2.679 1.00 0.00 O ATOM 919 CB ALA A 55 -14.768 -8.186 1.253 1.00 0.00 C ATOM 0 H ALA A 55 -14.614 -7.046 3.864 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.242 -9.101 2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.617 -9.076 0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.499 -7.536 0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.823 -7.653 1.358 1.00 0.00 H new ATOM 925 N VAL A 56 -13.898 -9.359 4.517 1.00 0.00 N ATOM 926 CA VAL A 56 -13.101 -10.284 5.300 1.00 0.00 C ATOM 927 C VAL A 56 -14.016 -11.381 5.863 1.00 0.00 C ATOM 928 O VAL A 56 -14.435 -11.371 7.021 1.00 0.00 O ATOM 929 CB VAL A 56 -12.205 -9.521 6.295 1.00 0.00 C ATOM 930 CG1 VAL A 56 -12.948 -8.611 7.284 1.00 0.00 C ATOM 931 CG2 VAL A 56 -11.305 -10.511 7.033 1.00 0.00 C ATOM 0 H VAL A 56 -14.088 -8.481 5.000 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.375 -10.823 4.692 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.610 -8.833 5.694 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.228 -8.121 7.939 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.509 -7.857 6.733 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -13.635 -9.209 7.883 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.671 -9.972 7.737 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.921 -11.228 7.575 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.680 -11.040 6.314 1.00 0.00 H new ATOM 941 N GLU A 57 -14.364 -12.322 4.990 1.00 0.00 N ATOM 942 CA GLU A 57 -15.259 -13.437 5.277 1.00 0.00 C ATOM 943 C GLU A 57 -14.862 -14.683 4.460 1.00 0.00 C ATOM 944 O GLU A 57 -15.676 -15.576 4.215 1.00 0.00 O ATOM 945 CB GLU A 57 -16.714 -12.989 5.058 1.00 0.00 C ATOM 946 CG GLU A 57 -16.980 -12.327 3.697 1.00 0.00 C ATOM 947 CD GLU A 57 -18.472 -12.426 3.327 1.00 0.00 C ATOM 948 OE1 GLU A 57 -19.276 -11.556 3.744 1.00 0.00 O ATOM 949 OE2 GLU A 57 -18.875 -13.397 2.640 1.00 0.00 O ATOM 0 H GLU A 57 -14.018 -12.329 4.030 1.00 0.00 H new ATOM 0 HA GLU A 57 -15.169 -13.735 6.322 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.367 -13.856 5.160 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.988 -12.289 5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.677 -11.281 3.730 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.377 -12.809 2.928 1.00 0.00 H new ATOM 956 N GLY A 58 -13.596 -14.745 4.031 1.00 0.00 N ATOM 957 CA GLY A 58 -13.008 -15.883 3.340 1.00 0.00 C ATOM 958 C GLY A 58 -11.489 -15.731 3.258 1.00 0.00 C ATOM 959 O GLY A 58 -10.941 -14.719 3.713 1.00 0.00 O ATOM 0 H GLY A 58 -12.938 -13.977 4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.260 -16.805 3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.426 -15.963 2.337 1.00 0.00 H new ATOM 963 N PRO A 59 -10.801 -16.741 2.701 1.00 0.00 N ATOM 964 CA PRO A 59 -9.347 -16.800 2.651 1.00 0.00 C ATOM 965 C PRO A 59 -8.769 -15.842 1.606 1.00 0.00 C ATOM 966 O PRO A 59 -9.463 -15.397 0.685 1.00 0.00 O ATOM 967 CB PRO A 59 -9.018 -18.251 2.299 1.00 0.00 C ATOM 968 CG PRO A 59 -10.210 -18.633 1.434 1.00 0.00 C ATOM 969 CD PRO A 59 -11.377 -17.940 2.119 1.00 0.00 C ATOM 0 HA PRO A 59 -8.908 -16.494 3.601 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.075 -18.338 1.759 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -8.937 -18.880 3.186 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -10.087 -18.292 0.406 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -10.350 -19.713 1.396 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.166 -17.696 1.408 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.823 -18.577 2.883 1.00 0.00 H new ATOM 977 N LEU A 60 -7.461 -15.600 1.714 1.00 0.00 N ATOM 978 CA LEU A 60 -6.667 -15.000 0.647 1.00 0.00 C ATOM 979 C LEU A 60 -6.164 -16.111 -0.274 1.00 0.00 C ATOM 980 O LEU A 60 -6.029 -17.271 0.130 1.00 0.00 O ATOM 981 CB LEU A 60 -5.463 -14.223 1.214 1.00 0.00 C ATOM 982 CG LEU A 60 -5.812 -13.000 2.083 1.00 0.00 C ATOM 983 CD1 LEU A 60 -4.516 -12.331 2.556 1.00 0.00 C ATOM 984 CD2 LEU A 60 -6.672 -11.974 1.334 1.00 0.00 C ATOM 0 H LEU A 60 -6.922 -15.818 2.552 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.294 -14.298 0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.858 -14.908 1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.843 -13.890 0.382 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.396 -13.355 2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.758 -11.465 3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.933 -13.041 3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.935 -12.011 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.889 -11.132 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.133 -11.619 0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.606 -12.441 1.022 1.00 0.00 H new ATOM 996 N TRP A 61 -5.814 -15.720 -1.494 1.00 0.00 N ATOM 997 CA TRP A 61 -5.303 -16.562 -2.567 1.00 0.00 C ATOM 998 C TRP A 61 -4.262 -15.712 -3.282 1.00 0.00 C ATOM 999 O TRP A 61 -4.494 -14.511 -3.435 1.00 0.00 O ATOM 1000 CB TRP A 61 -6.451 -16.835 -3.534 1.00 0.00 C ATOM 1001 CG TRP A 61 -7.588 -17.676 -3.055 1.00 0.00 C ATOM 1002 CD1 TRP A 61 -8.664 -17.224 -2.377 1.00 0.00 C ATOM 1003 CD2 TRP A 61 -7.814 -19.097 -3.270 1.00 0.00 C ATOM 1004 NE1 TRP A 61 -9.539 -18.272 -2.156 1.00 0.00 N ATOM 1005 CE2 TRP A 61 -9.058 -19.458 -2.676 1.00 0.00 C ATOM 1006 CE3 TRP A 61 -7.083 -20.112 -3.919 1.00 0.00 C ATOM 1007 CZ2 TRP A 61 -9.543 -20.775 -2.710 1.00 0.00 C ATOM 1008 CZ3 TRP A 61 -7.560 -21.437 -3.959 1.00 0.00 C ATOM 1009 CH2 TRP A 61 -8.784 -21.771 -3.350 1.00 0.00 C ATOM 0 H TRP A 61 -5.885 -14.743 -1.777 1.00 0.00 H new ATOM 0 HA TRP A 61 -4.890 -17.504 -2.206 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -6.857 -15.874 -3.850 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -6.034 -17.312 -4.421 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -8.818 -16.204 -2.057 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -10.430 -18.180 -1.669 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.143 -19.871 -4.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -10.489 -21.021 -2.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -6.983 -22.201 -4.460 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -9.140 -22.790 -3.374 1.00 0.00 H new ATOM 1020 N ILE A 62 -3.142 -16.286 -3.729 1.00 0.00 N ATOM 1021 CA ILE A 62 -2.036 -15.509 -4.285 1.00 0.00 C ATOM 1022 C ILE A 62 -1.573 -16.174 -5.589 1.00 0.00 C ATOM 1023 O ILE A 62 -1.517 -17.406 -5.673 1.00 0.00 O ATOM 1024 CB ILE A 62 -0.850 -15.385 -3.280 1.00 0.00 C ATOM 1025 CG1 ILE A 62 -1.135 -15.556 -1.765 1.00 0.00 C ATOM 1026 CG2 ILE A 62 -0.121 -14.053 -3.523 1.00 0.00 C ATOM 1027 CD1 ILE A 62 -1.914 -14.441 -1.053 1.00 0.00 C ATOM 0 H ILE A 62 -2.979 -17.293 -3.715 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.385 -14.496 -4.486 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.241 -16.261 -3.506 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.685 -16.487 -1.631 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.179 -15.674 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.710 -13.960 -2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.260 -14.028 -4.544 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.815 -13.226 -3.374 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.037 -14.698 -0.001 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.364 -13.503 -1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.894 -14.329 -1.516 1.00 0.00 H new ATOM 1039 N GLN A 63 -1.190 -15.367 -6.582 1.00 0.00 N ATOM 1040 CA GLN A 63 -0.436 -15.786 -7.766 1.00 0.00 C ATOM 1041 C GLN A 63 0.642 -14.724 -8.034 1.00 0.00 C ATOM 1042 O GLN A 63 0.476 -13.574 -7.635 1.00 0.00 O ATOM 1043 CB GLN A 63 -1.421 -15.978 -8.937 1.00 0.00 C ATOM 1044 CG GLN A 63 -0.796 -16.571 -10.211 1.00 0.00 C ATOM 1045 CD GLN A 63 -1.858 -16.811 -11.291 1.00 0.00 C ATOM 1046 OE1 GLN A 63 -2.084 -15.969 -12.158 1.00 0.00 O ATOM 1047 NE2 GLN A 63 -2.535 -17.951 -11.263 1.00 0.00 N ATOM 0 H GLN A 63 -1.404 -14.370 -6.584 1.00 0.00 H new ATOM 0 HA GLN A 63 0.070 -16.741 -7.625 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.232 -16.629 -8.609 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.866 -15.013 -9.182 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.032 -15.894 -10.593 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.299 -17.511 -9.971 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.339 -18.643 -10.539 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.251 -18.136 -11.965 1.00 0.00 H new ATOM 1056 N VAL A 64 1.744 -15.060 -8.708 1.00 0.00 N ATOM 1057 CA VAL A 64 2.857 -14.130 -8.935 1.00 0.00 C ATOM 1058 C VAL A 64 3.486 -14.382 -10.317 1.00 0.00 C ATOM 1059 O VAL A 64 3.351 -15.483 -10.862 1.00 0.00 O ATOM 1060 CB VAL A 64 3.860 -14.252 -7.766 1.00 0.00 C ATOM 1061 CG1 VAL A 64 4.618 -15.587 -7.724 1.00 0.00 C ATOM 1062 CG2 VAL A 64 4.863 -13.095 -7.777 1.00 0.00 C ATOM 0 H VAL A 64 1.892 -15.984 -9.113 1.00 0.00 H new ATOM 0 HA VAL A 64 2.504 -13.099 -8.951 1.00 0.00 H new ATOM 0 HB VAL A 64 3.249 -14.209 -6.865 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.301 -15.591 -6.875 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.906 -16.406 -7.621 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.185 -15.712 -8.646 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.556 -13.207 -6.943 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.418 -13.104 -8.715 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.329 -12.150 -7.681 1.00 0.00 H new ATOM 1072 N GLN A 65 4.221 -13.405 -10.862 1.00 0.00 N ATOM 1073 CA GLN A 65 5.235 -13.631 -11.875 1.00 0.00 C ATOM 1074 C GLN A 65 6.404 -12.697 -11.562 1.00 0.00 C ATOM 1075 O GLN A 65 6.192 -11.627 -10.988 1.00 0.00 O ATOM 1076 CB GLN A 65 4.682 -13.391 -13.289 1.00 0.00 C ATOM 1077 CG GLN A 65 3.997 -12.035 -13.534 1.00 0.00 C ATOM 1078 CD GLN A 65 2.486 -12.100 -13.348 1.00 0.00 C ATOM 1079 OE1 GLN A 65 1.972 -11.664 -12.214 1.00 0.00 O flip ATOM 1080 NE2 GLN A 65 1.752 -12.520 -14.237 1.00 0.00 N flip ATOM 0 H GLN A 65 4.119 -12.424 -10.601 1.00 0.00 H new ATOM 0 HA GLN A 65 5.566 -14.669 -11.856 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.503 -13.492 -13.999 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.966 -14.181 -13.515 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.412 -11.294 -12.851 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.221 -11.697 -14.546 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.153 -12.856 -15.113 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.741 -12.533 -14.100 1.00 0.00 H new ATOM 1089 N ALA A 66 7.619 -13.082 -11.951 1.00 0.00 N ATOM 1090 CA ALA A 66 8.816 -12.282 -11.731 1.00 0.00 C ATOM 1091 C ALA A 66 9.193 -11.555 -13.024 1.00 0.00 C ATOM 1092 O ALA A 66 9.024 -12.083 -14.127 1.00 0.00 O ATOM 1093 CB ALA A 66 9.949 -13.166 -11.202 1.00 0.00 C ATOM 0 H ALA A 66 7.798 -13.964 -12.431 1.00 0.00 H new ATOM 0 HA ALA A 66 8.624 -11.523 -10.973 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.840 -12.558 -11.041 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.645 -13.622 -10.260 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.170 -13.948 -11.929 1.00 0.00 H new ATOM 1099 N LEU A 67 9.686 -10.331 -12.862 1.00 0.00 N ATOM 1100 CA LEU A 67 10.030 -9.356 -13.885 1.00 0.00 C ATOM 1101 C LEU A 67 11.489 -8.928 -13.648 1.00 0.00 C ATOM 1102 O LEU A 67 12.175 -9.493 -12.792 1.00 0.00 O ATOM 1103 CB LEU A 67 9.039 -8.172 -13.813 1.00 0.00 C ATOM 1104 CG LEU A 67 7.569 -8.574 -14.070 1.00 0.00 C ATOM 1105 CD1 LEU A 67 6.806 -8.849 -12.786 1.00 0.00 C ATOM 1106 CD2 LEU A 67 6.797 -7.467 -14.783 1.00 0.00 C ATOM 0 H LEU A 67 9.870 -9.966 -11.927 1.00 0.00 H new ATOM 0 HA LEU A 67 9.952 -9.771 -14.890 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.113 -7.708 -12.830 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.333 -7.419 -14.544 1.00 0.00 H new ATOM 0 HG LEU A 67 7.633 -9.475 -14.680 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.780 -9.127 -13.025 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.286 -9.664 -12.245 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.804 -7.953 -12.165 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.768 -7.788 -14.946 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.804 -6.566 -14.170 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.267 -7.256 -15.743 1.00 0.00 H new ATOM 1118 N ASP A 68 11.998 -7.962 -14.422 1.00 0.00 N ATOM 1119 CA ASP A 68 13.445 -7.712 -14.501 1.00 0.00 C ATOM 1120 C ASP A 68 14.075 -7.275 -13.171 1.00 0.00 C ATOM 1121 O ASP A 68 15.203 -7.677 -12.883 1.00 0.00 O ATOM 1122 CB ASP A 68 13.758 -6.690 -15.598 1.00 0.00 C ATOM 1123 CG ASP A 68 15.278 -6.596 -15.837 1.00 0.00 C ATOM 1124 OD1 ASP A 68 15.870 -7.570 -16.360 1.00 0.00 O ATOM 1125 OD2 ASP A 68 15.894 -5.552 -15.514 1.00 0.00 O ATOM 0 H ASP A 68 11.433 -7.342 -15.001 1.00 0.00 H new ATOM 0 HA ASP A 68 13.898 -8.671 -14.751 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.256 -6.976 -16.522 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.368 -5.713 -15.313 1.00 0.00 H new ATOM 1130 N LYS A 69 13.356 -6.493 -12.348 1.00 0.00 N ATOM 1131 CA LYS A 69 13.833 -5.993 -11.041 1.00 0.00 C ATOM 1132 C LYS A 69 12.724 -6.000 -9.979 1.00 0.00 C ATOM 1133 O LYS A 69 12.740 -5.200 -9.038 1.00 0.00 O ATOM 1134 CB LYS A 69 14.464 -4.595 -11.178 1.00 0.00 C ATOM 1135 CG LYS A 69 15.691 -4.518 -12.096 1.00 0.00 C ATOM 1136 CD LYS A 69 16.923 -5.251 -11.533 1.00 0.00 C ATOM 1137 CE LYS A 69 18.131 -5.162 -12.482 1.00 0.00 C ATOM 1138 NZ LYS A 69 17.965 -5.987 -13.708 1.00 0.00 N ATOM 0 H LYS A 69 12.411 -6.184 -12.573 1.00 0.00 H new ATOM 0 HA LYS A 69 14.606 -6.681 -10.698 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.706 -3.907 -11.553 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.750 -4.244 -10.186 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.437 -4.943 -13.067 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.945 -3.471 -12.263 1.00 0.00 H new ATOM 0 HD2 LYS A 69 17.189 -4.823 -10.567 1.00 0.00 H new ATOM 0 HD3 LYS A 69 16.674 -6.298 -11.360 1.00 0.00 H new ATOM 0 HE2 LYS A 69 18.286 -4.122 -12.768 1.00 0.00 H new ATOM 0 HE3 LYS A 69 19.028 -5.484 -11.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.835 -5.943 -14.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.777 -6.974 -13.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 17.167 -5.622 -14.266 1.00 0.00 H new ATOM 1152 N GLY A 70 11.727 -6.862 -10.131 1.00 0.00 N ATOM 1153 CA GLY A 70 10.569 -6.899 -9.249 1.00 0.00 C ATOM 1154 C GLY A 70 9.646 -8.039 -9.636 1.00 0.00 C ATOM 1155 O GLY A 70 9.967 -8.827 -10.521 1.00 0.00 O ATOM 0 H GLY A 70 11.699 -7.559 -10.875 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.894 -7.021 -8.216 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.031 -5.952 -9.304 1.00 0.00 H new ATOM 1159 N LEU A 71 8.480 -8.116 -9.004 1.00 0.00 N ATOM 1160 CA LEU A 71 7.452 -9.119 -9.282 1.00 0.00 C ATOM 1161 C LEU A 71 6.097 -8.431 -9.335 1.00 0.00 C ATOM 1162 O LEU A 71 5.846 -7.512 -8.558 1.00 0.00 O ATOM 1163 CB LEU A 71 7.430 -10.212 -8.198 1.00 0.00 C ATOM 1164 CG LEU A 71 8.757 -10.986 -8.043 1.00 0.00 C ATOM 1165 CD1 LEU A 71 9.429 -10.568 -6.733 1.00 0.00 C ATOM 1166 CD2 LEU A 71 8.552 -12.503 -8.095 1.00 0.00 C ATOM 0 H LEU A 71 8.214 -7.466 -8.264 1.00 0.00 H new ATOM 0 HA LEU A 71 7.677 -9.595 -10.237 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.178 -9.753 -7.242 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.635 -10.921 -8.431 1.00 0.00 H new ATOM 0 HG LEU A 71 9.403 -10.734 -8.884 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.367 -11.110 -6.616 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.629 -9.497 -6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.770 -10.799 -5.896 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.513 -13.004 -7.982 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.886 -12.808 -7.288 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.110 -12.778 -9.053 1.00 0.00 H new ATOM 1178 N GLU A 72 5.204 -8.897 -10.206 1.00 0.00 N ATOM 1179 CA GLU A 72 3.776 -8.603 -10.104 1.00 0.00 C ATOM 1180 C GLU A 72 3.138 -9.755 -9.348 1.00 0.00 C ATOM 1181 O GLU A 72 3.304 -10.912 -9.746 1.00 0.00 O ATOM 1182 CB GLU A 72 3.052 -8.497 -11.458 1.00 0.00 C ATOM 1183 CG GLU A 72 3.160 -7.153 -12.182 1.00 0.00 C ATOM 1184 CD GLU A 72 2.308 -7.174 -13.465 1.00 0.00 C ATOM 1185 OE1 GLU A 72 1.088 -6.898 -13.385 1.00 0.00 O ATOM 1186 OE2 GLU A 72 2.845 -7.485 -14.555 1.00 0.00 O ATOM 0 H GLU A 72 5.449 -9.488 -11.001 1.00 0.00 H new ATOM 0 HA GLU A 72 3.682 -7.634 -9.613 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.443 -9.273 -12.117 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.996 -8.716 -11.299 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.824 -6.350 -11.526 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.201 -6.947 -12.431 1.00 0.00 H new ATOM 1193 N ILE A 73 2.361 -9.431 -8.321 1.00 0.00 N ATOM 1194 CA ILE A 73 1.650 -10.370 -7.476 1.00 0.00 C ATOM 1195 C ILE A 73 0.160 -10.053 -7.661 1.00 0.00 C ATOM 1196 O ILE A 73 -0.250 -8.907 -7.486 1.00 0.00 O ATOM 1197 CB ILE A 73 2.057 -10.220 -5.984 1.00 0.00 C ATOM 1198 CG1 ILE A 73 3.546 -10.293 -5.552 1.00 0.00 C ATOM 1199 CG2 ILE A 73 1.332 -11.283 -5.136 1.00 0.00 C ATOM 1200 CD1 ILE A 73 4.504 -9.279 -6.171 1.00 0.00 C ATOM 0 H ILE A 73 2.206 -8.461 -8.046 1.00 0.00 H new ATOM 0 HA ILE A 73 1.886 -11.397 -7.753 1.00 0.00 H new ATOM 0 HB ILE A 73 1.774 -9.180 -5.820 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.589 -10.180 -4.469 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.916 -11.292 -5.783 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.621 -11.174 -4.091 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.254 -11.151 -5.230 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.607 -12.278 -5.486 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.509 -9.443 -5.782 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.510 -9.399 -7.254 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.178 -8.270 -5.919 1.00 0.00 H new ATOM 1212 N ILE A 74 -0.655 -11.051 -7.991 1.00 0.00 N ATOM 1213 CA ILE A 74 -2.115 -10.992 -7.942 1.00 0.00 C ATOM 1214 C ILE A 74 -2.544 -11.593 -6.594 1.00 0.00 C ATOM 1215 O ILE A 74 -1.933 -12.547 -6.111 1.00 0.00 O ATOM 1216 CB ILE A 74 -2.745 -11.761 -9.132 1.00 0.00 C ATOM 1217 CG1 ILE A 74 -2.181 -11.336 -10.506 1.00 0.00 C ATOM 1218 CG2 ILE A 74 -4.268 -11.550 -9.180 1.00 0.00 C ATOM 1219 CD1 ILE A 74 -1.032 -12.229 -10.980 1.00 0.00 C ATOM 0 H ILE A 74 -0.306 -11.955 -8.311 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.463 -9.962 -8.026 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.493 -12.807 -8.956 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -2.982 -11.360 -11.245 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.833 -10.305 -10.447 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.685 -12.100 -10.024 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.715 -11.912 -8.254 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.485 -10.488 -9.296 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.677 -11.881 -11.950 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.216 -12.186 -10.259 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.383 -13.257 -11.069 1.00 0.00 H new ATOM 1231 N VAL A 75 -3.634 -11.084 -6.027 1.00 0.00 N ATOM 1232 CA VAL A 75 -4.280 -11.622 -4.840 1.00 0.00 C ATOM 1233 C VAL A 75 -5.768 -11.761 -5.170 1.00 0.00 C ATOM 1234 O VAL A 75 -6.328 -10.891 -5.842 1.00 0.00 O ATOM 1235 CB VAL A 75 -4.033 -10.730 -3.600 1.00 0.00 C ATOM 1236 CG1 VAL A 75 -4.238 -11.525 -2.306 1.00 0.00 C ATOM 1237 CG2 VAL A 75 -2.622 -10.126 -3.537 1.00 0.00 C ATOM 0 H VAL A 75 -4.105 -10.258 -6.396 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.861 -12.594 -4.578 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.755 -9.919 -3.697 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.059 -10.877 -1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.260 -11.902 -2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.541 -12.363 -2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.528 -9.514 -2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.884 -10.928 -3.509 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.452 -9.507 -4.418 1.00 0.00 H new ATOM 1247 N THR A 76 -6.411 -12.844 -4.731 1.00 0.00 N ATOM 1248 CA THR A 76 -7.794 -13.172 -5.075 1.00 0.00 C ATOM 1249 C THR A 76 -8.530 -13.607 -3.793 1.00 0.00 C ATOM 1250 O THR A 76 -7.889 -13.796 -2.754 1.00 0.00 O ATOM 1251 CB THR A 76 -7.844 -14.177 -6.265 1.00 0.00 C ATOM 1252 OG1 THR A 76 -7.801 -15.533 -5.901 1.00 0.00 O ATOM 1253 CG2 THR A 76 -6.717 -13.997 -7.304 1.00 0.00 C ATOM 0 H THR A 76 -5.976 -13.530 -4.115 1.00 0.00 H new ATOM 0 HA THR A 76 -8.333 -12.302 -5.451 1.00 0.00 H new ATOM 0 HB THR A 76 -8.815 -13.927 -6.693 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.838 -16.089 -6.707 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.830 -14.738 -8.096 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.774 -12.996 -7.733 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.750 -14.130 -6.819 1.00 0.00 H new ATOM 1261 N LYS A 77 -9.866 -13.730 -3.823 1.00 0.00 N ATOM 1262 CA LYS A 77 -10.695 -14.105 -2.666 1.00 0.00 C ATOM 1263 C LYS A 77 -11.872 -14.964 -3.126 1.00 0.00 C ATOM 1264 O LYS A 77 -12.365 -14.786 -4.237 1.00 0.00 O ATOM 1265 CB LYS A 77 -11.182 -12.850 -1.915 1.00 0.00 C ATOM 1266 CG LYS A 77 -10.112 -12.302 -0.947 1.00 0.00 C ATOM 1267 CD LYS A 77 -9.551 -10.928 -1.325 1.00 0.00 C ATOM 1268 CE LYS A 77 -10.630 -9.829 -1.260 1.00 0.00 C ATOM 1269 NZ LYS A 77 -10.079 -8.472 -1.514 1.00 0.00 N ATOM 0 H LYS A 77 -10.412 -13.568 -4.669 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.091 -14.690 -1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.448 -12.077 -2.636 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.087 -13.090 -1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.543 -12.241 0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.288 -13.014 -0.896 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.732 -10.673 -0.653 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.136 -10.970 -2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.408 -10.044 -1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.103 -9.847 -0.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.854 -7.779 -1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.405 -8.224 -0.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.591 -8.462 -2.433 1.00 0.00 H new