USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 743 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 12 GLN : amide:sc= -1 K(o=-5.8,f=-7.8!) USER MOD Set 1.2: A 16 TYR OH : rot -179:sc= 0.797 USER MOD Set 1.3: A 75 HIS : no HD1:sc= -5.56! C(o=-5.8!,f=-17!) USER MOD Set 2.1: A 21 LYS NZ :NH3+ 162:sc= 0.812 (180deg=-0.00508) USER MOD Set 2.2: A 22 THR OG1 : rot 77:sc= 1.47 USER MOD Set 3.1: A 14 GLN : amide:sc= -4.56! K(o=-3.3!,f=-4.3) USER MOD Set 3.2: A 18 ASN :FLIP amide:sc= 1.22 F(o=-4.3,f=-3.3) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.248 F(o=-2!,f=-0.25) USER MOD Single : A 24 GLN : amide:sc= -17.7! C(o=-18!,f=-25!) USER MOD Single : A 28 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.5) USER MOD Single : A 34 SER OG : rot 180:sc= 0.051 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 97:sc= 0.596 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 165:sc= -0.0697 (180deg=-0.425) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= -3.09! C(o=-3.1!,f=-10!) USER MOD Single : A 57 SER OG : rot 128:sc= -1.09 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.542 X(o=-0.54,f=-0.51) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 149:sc= -0.17 (180deg=-1.02) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl -157:sc= -0.479 (180deg=-1.84!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 6 -1.461 -1.548 -20.961 1.00 0.00 N ATOM 2 CA TRP A 6 -0.586 -0.589 -20.230 1.00 0.00 C ATOM 3 C TRP A 6 0.494 -1.311 -19.412 1.00 0.00 C ATOM 4 O TRP A 6 0.501 -1.250 -18.190 1.00 0.00 O ATOM 5 CB TRP A 6 -1.472 0.263 -19.317 1.00 0.00 C ATOM 6 CG TRP A 6 -2.339 -0.553 -18.408 1.00 0.00 C ATOM 7 CD1 TRP A 6 -3.418 -1.304 -18.768 1.00 0.00 C ATOM 8 CD2 TRP A 6 -2.215 -0.682 -16.987 1.00 0.00 C ATOM 9 NE1 TRP A 6 -3.960 -1.914 -17.663 1.00 0.00 N ATOM 10 CE2 TRP A 6 -3.242 -1.542 -16.556 1.00 0.00 C ATOM 11 CE3 TRP A 6 -1.331 -0.162 -16.037 1.00 0.00 C ATOM 12 CZ2 TRP A 6 -3.412 -1.890 -15.219 1.00 0.00 C ATOM 13 CZ3 TRP A 6 -1.503 -0.507 -14.708 1.00 0.00 C ATOM 14 CH2 TRP A 6 -2.535 -1.365 -14.311 1.00 0.00 C ATOM 0 HA TRP A 6 -0.064 0.040 -20.951 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -0.840 0.917 -18.716 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.103 0.906 -19.931 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -3.793 -1.405 -19.776 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -4.765 -2.541 -17.666 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -0.529 0.497 -16.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -4.208 -2.551 -14.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -0.829 -0.107 -13.964 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -2.641 -1.617 -13.266 1.00 0.00 H new ATOM 27 N LYS A 7 1.405 -2.001 -20.094 1.00 0.00 N ATOM 28 CA LYS A 7 2.476 -2.726 -19.408 1.00 0.00 C ATOM 29 C LYS A 7 3.512 -1.779 -18.800 1.00 0.00 C ATOM 30 O LYS A 7 3.932 -0.810 -19.428 1.00 0.00 O ATOM 31 CB LYS A 7 3.164 -3.709 -20.360 1.00 0.00 C ATOM 32 CG LYS A 7 2.578 -5.110 -20.301 1.00 0.00 C ATOM 33 CD LYS A 7 3.457 -6.129 -21.016 1.00 0.00 C ATOM 34 CE LYS A 7 3.591 -5.831 -22.500 1.00 0.00 C ATOM 35 NZ LYS A 7 4.289 -6.933 -23.220 1.00 0.00 N ATOM 0 H LYS A 7 1.425 -2.074 -21.111 1.00 0.00 H new ATOM 0 HA LYS A 7 2.012 -3.282 -18.593 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.086 -3.332 -21.380 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.226 -3.756 -20.118 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.453 -5.407 -19.260 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.586 -5.107 -20.753 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.446 -6.138 -20.558 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.036 -7.126 -20.884 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.602 -5.682 -22.933 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.142 -4.900 -22.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.363 -6.696 -24.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.242 -7.058 -22.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.750 -7.816 -23.110 1.00 0.00 H new ATOM 49 N ILE A 8 3.923 -2.072 -17.572 1.00 0.00 N ATOM 50 CA ILE A 8 4.910 -1.249 -16.880 1.00 0.00 C ATOM 51 C ILE A 8 6.210 -1.139 -17.677 1.00 0.00 C ATOM 52 O ILE A 8 6.708 -2.127 -18.213 1.00 0.00 O ATOM 53 CB ILE A 8 5.247 -1.817 -15.490 1.00 0.00 C ATOM 54 CG1 ILE A 8 3.976 -2.054 -14.677 1.00 0.00 C ATOM 55 CG2 ILE A 8 6.177 -0.870 -14.747 1.00 0.00 C ATOM 56 CD1 ILE A 8 4.239 -2.716 -13.345 1.00 0.00 C ATOM 0 H ILE A 8 3.589 -2.872 -17.035 1.00 0.00 H new ATOM 0 HA ILE A 8 4.459 -0.262 -16.774 1.00 0.00 H new ATOM 0 HB ILE A 8 5.750 -2.774 -15.625 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.476 -1.100 -14.509 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.292 -2.675 -15.256 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.408 -1.283 -13.765 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.099 -0.746 -15.315 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.691 0.098 -14.628 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.296 -2.857 -12.816 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.712 -3.685 -13.507 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.899 -2.085 -12.749 1.00 0.00 H new ATOM 68 N THR A 9 6.766 0.066 -17.731 1.00 0.00 N ATOM 69 CA THR A 9 8.023 0.302 -18.440 1.00 0.00 C ATOM 70 C THR A 9 9.098 0.781 -17.470 1.00 0.00 C ATOM 71 O THR A 9 8.832 1.612 -16.604 1.00 0.00 O ATOM 72 CB THR A 9 7.873 1.349 -19.557 1.00 0.00 C ATOM 73 OG1 THR A 9 6.637 1.149 -20.257 1.00 0.00 O ATOM 74 CG2 THR A 9 9.029 1.251 -20.538 1.00 0.00 C ATOM 0 H THR A 9 6.368 0.896 -17.293 1.00 0.00 H new ATOM 0 HA THR A 9 8.311 -0.648 -18.890 1.00 0.00 H new ATOM 0 HB THR A 9 7.877 2.339 -19.101 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.550 1.821 -20.965 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.906 1.999 -21.321 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.968 1.426 -20.013 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.044 0.257 -20.985 1.00 0.00 H new ATOM 82 N ASP A 10 10.302 0.248 -17.607 1.00 0.00 N ATOM 83 CA ASP A 10 11.403 0.614 -16.722 1.00 0.00 C ATOM 84 C ASP A 10 11.446 2.127 -16.459 1.00 0.00 C ATOM 85 O ASP A 10 11.613 2.553 -15.320 1.00 0.00 O ATOM 86 CB ASP A 10 12.729 0.126 -17.300 1.00 0.00 C ATOM 87 CG ASP A 10 13.837 0.162 -16.271 1.00 0.00 C ATOM 88 OD1 ASP A 10 14.166 1.268 -15.799 1.00 0.00 O ATOM 89 OD2 ASP A 10 14.362 -0.919 -15.921 1.00 0.00 O ATOM 0 H ASP A 10 10.544 -0.439 -18.321 1.00 0.00 H new ATOM 0 HA ASP A 10 11.235 0.125 -15.762 1.00 0.00 H new ATOM 0 HB2 ASP A 10 12.611 -0.892 -17.672 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.004 0.747 -18.153 1.00 0.00 H new ATOM 94 N GLU A 11 11.257 2.947 -17.491 1.00 0.00 N ATOM 95 CA GLU A 11 11.258 4.391 -17.292 1.00 0.00 C ATOM 96 C GLU A 11 10.297 4.756 -16.163 1.00 0.00 C ATOM 97 O GLU A 11 10.694 5.330 -15.140 1.00 0.00 O ATOM 98 CB GLU A 11 10.851 5.107 -18.577 1.00 0.00 C ATOM 99 CG GLU A 11 12.023 5.622 -19.399 1.00 0.00 C ATOM 100 CD GLU A 11 11.619 6.725 -20.362 1.00 0.00 C ATOM 101 OE1 GLU A 11 10.627 6.537 -21.097 1.00 0.00 O ATOM 102 OE2 GLU A 11 12.295 7.776 -20.381 1.00 0.00 O ATOM 0 H GLU A 11 11.104 2.643 -18.453 1.00 0.00 H new ATOM 0 HA GLU A 11 12.266 4.708 -17.023 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.263 4.424 -19.190 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.203 5.946 -18.323 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.797 5.995 -18.728 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.459 4.796 -19.960 1.00 0.00 H new ATOM 109 N GLN A 12 9.034 4.381 -16.335 1.00 0.00 N ATOM 110 CA GLN A 12 8.024 4.615 -15.332 1.00 0.00 C ATOM 111 C GLN A 12 8.383 3.849 -14.059 1.00 0.00 C ATOM 112 O GLN A 12 8.128 4.311 -12.945 1.00 0.00 O ATOM 113 CB GLN A 12 6.669 4.171 -15.869 1.00 0.00 C ATOM 114 CG GLN A 12 6.177 5.019 -17.031 1.00 0.00 C ATOM 115 CD GLN A 12 4.754 4.689 -17.415 1.00 0.00 C ATOM 116 OE1 GLN A 12 3.846 4.755 -16.591 1.00 0.00 O ATOM 117 NE2 GLN A 12 4.546 4.329 -18.669 1.00 0.00 N ATOM 0 H GLN A 12 8.692 3.909 -17.172 1.00 0.00 H new ATOM 0 HA GLN A 12 7.973 5.677 -15.093 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.736 3.131 -16.189 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.936 4.210 -15.063 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.244 6.073 -16.763 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.829 4.867 -17.891 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.327 4.286 -19.324 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.604 4.094 -18.983 1.00 0.00 H new ATOM 126 N ARG A 13 9.009 2.687 -14.237 1.00 0.00 N ATOM 127 CA ARG A 13 9.438 1.872 -13.106 1.00 0.00 C ATOM 128 C ARG A 13 10.351 2.677 -12.199 1.00 0.00 C ATOM 129 O ARG A 13 10.108 2.811 -11.000 1.00 0.00 O ATOM 130 CB ARG A 13 10.200 0.632 -13.579 1.00 0.00 C ATOM 131 CG ARG A 13 10.821 -0.157 -12.427 1.00 0.00 C ATOM 132 CD ARG A 13 11.737 -1.270 -12.920 1.00 0.00 C ATOM 133 NE ARG A 13 11.267 -2.605 -12.529 1.00 0.00 N ATOM 134 CZ ARG A 13 11.052 -3.009 -11.285 1.00 0.00 C ATOM 135 NH1 ARG A 13 11.238 -2.197 -10.274 1.00 0.00 N ATOM 136 NH2 ARG A 13 10.628 -4.228 -11.059 1.00 0.00 N ATOM 0 H ARG A 13 9.229 2.291 -15.151 1.00 0.00 H new ATOM 0 HA ARG A 13 8.544 1.562 -12.565 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.521 -0.016 -14.133 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.986 0.936 -14.270 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.387 0.521 -11.788 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.028 -0.586 -11.814 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.812 -1.219 -14.006 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.740 -1.112 -12.524 1.00 0.00 H new ATOM 0 HE ARG A 13 11.092 -3.277 -13.276 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.552 -1.241 -10.439 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.069 -2.521 -9.322 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.464 -4.864 -11.840 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.462 -4.541 -10.103 1.00 0.00 H new ATOM 150 N GLN A 14 11.409 3.215 -12.780 1.00 0.00 N ATOM 151 CA GLN A 14 12.360 4.008 -12.027 1.00 0.00 C ATOM 152 C GLN A 14 11.752 5.351 -11.654 1.00 0.00 C ATOM 153 O GLN A 14 12.000 5.878 -10.571 1.00 0.00 O ATOM 154 CB GLN A 14 13.643 4.198 -12.841 1.00 0.00 C ATOM 155 CG GLN A 14 13.463 5.038 -14.096 1.00 0.00 C ATOM 156 CD GLN A 14 13.550 6.532 -13.830 1.00 0.00 C ATOM 157 OE1 GLN A 14 14.572 7.035 -13.372 1.00 0.00 O ATOM 158 NE2 GLN A 14 12.485 7.254 -14.124 1.00 0.00 N ATOM 0 H GLN A 14 11.630 3.116 -13.771 1.00 0.00 H new ATOM 0 HA GLN A 14 12.609 3.482 -11.106 1.00 0.00 H new ATOM 0 HB2 GLN A 14 14.396 4.667 -12.208 1.00 0.00 H new ATOM 0 HB3 GLN A 14 14.029 3.219 -13.124 1.00 0.00 H new ATOM 0 HG2 GLN A 14 14.224 4.760 -14.825 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.495 4.810 -14.543 1.00 0.00 H new ATOM 0 HE21 GLN A 14 11.652 6.803 -14.503 1.00 0.00 H new ATOM 0 HE22 GLN A 14 12.495 8.263 -13.972 1.00 0.00 H new ATOM 167 N TYR A 15 10.944 5.898 -12.552 1.00 0.00 N ATOM 168 CA TYR A 15 10.306 7.177 -12.296 1.00 0.00 C ATOM 169 C TYR A 15 9.650 7.176 -10.920 1.00 0.00 C ATOM 170 O TYR A 15 9.749 8.147 -10.174 1.00 0.00 O ATOM 171 CB TYR A 15 9.258 7.487 -13.360 1.00 0.00 C ATOM 172 CG TYR A 15 8.690 8.882 -13.233 1.00 0.00 C ATOM 173 CD1 TYR A 15 9.433 9.988 -13.626 1.00 0.00 C ATOM 174 CD2 TYR A 15 7.415 9.092 -12.724 1.00 0.00 C ATOM 175 CE1 TYR A 15 8.923 11.266 -13.511 1.00 0.00 C ATOM 176 CE2 TYR A 15 6.898 10.369 -12.606 1.00 0.00 C ATOM 177 CZ TYR A 15 7.656 11.451 -13.002 1.00 0.00 C ATOM 178 OH TYR A 15 7.149 12.724 -12.883 1.00 0.00 O ATOM 0 H TYR A 15 10.718 5.480 -13.454 1.00 0.00 H new ATOM 0 HA TYR A 15 11.076 7.948 -12.329 1.00 0.00 H new ATOM 0 HB2 TYR A 15 9.704 7.370 -14.348 1.00 0.00 H new ATOM 0 HB3 TYR A 15 8.448 6.762 -13.288 1.00 0.00 H new ATOM 0 HD1 TYR A 15 10.425 9.846 -14.028 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.819 8.246 -12.416 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.514 12.116 -13.818 1.00 0.00 H new ATOM 0 HE2 TYR A 15 5.906 10.518 -12.206 1.00 0.00 H new ATOM 0 HH TYR A 15 6.244 12.682 -12.508 1.00 0.00 H new ATOM 188 N TYR A 16 8.980 6.081 -10.585 1.00 0.00 N ATOM 189 CA TYR A 16 8.315 5.976 -9.286 1.00 0.00 C ATOM 190 C TYR A 16 9.341 5.858 -8.156 1.00 0.00 C ATOM 191 O TYR A 16 9.337 6.639 -7.201 1.00 0.00 O ATOM 192 CB TYR A 16 7.398 4.750 -9.235 1.00 0.00 C ATOM 193 CG TYR A 16 6.400 4.650 -10.367 1.00 0.00 C ATOM 194 CD1 TYR A 16 5.885 5.785 -10.990 1.00 0.00 C ATOM 195 CD2 TYR A 16 5.981 3.405 -10.816 1.00 0.00 C ATOM 196 CE1 TYR A 16 4.981 5.674 -12.029 1.00 0.00 C ATOM 197 CE2 TYR A 16 5.077 3.288 -11.851 1.00 0.00 C ATOM 198 CZ TYR A 16 4.582 4.425 -12.455 1.00 0.00 C ATOM 199 OH TYR A 16 3.688 4.317 -13.496 1.00 0.00 O ATOM 0 H TYR A 16 8.881 5.261 -11.184 1.00 0.00 H new ATOM 0 HA TYR A 16 7.723 6.882 -9.155 1.00 0.00 H new ATOM 0 HB2 TYR A 16 8.016 3.852 -9.236 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.854 4.761 -8.291 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.196 6.764 -10.657 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.369 2.513 -10.347 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.589 6.561 -12.505 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.759 2.312 -12.187 1.00 0.00 H new ATOM 0 HH TYR A 16 3.497 3.371 -13.666 1.00 0.00 H new ATOM 209 N VAL A 17 10.217 4.868 -8.266 1.00 0.00 N ATOM 210 CA VAL A 17 11.238 4.631 -7.254 1.00 0.00 C ATOM 211 C VAL A 17 12.046 5.893 -6.960 1.00 0.00 C ATOM 212 O VAL A 17 12.460 6.120 -5.829 1.00 0.00 O ATOM 213 CB VAL A 17 12.189 3.497 -7.673 1.00 0.00 C ATOM 214 CG1 VAL A 17 13.189 3.200 -6.569 1.00 0.00 C ATOM 215 CG2 VAL A 17 11.396 2.250 -8.030 1.00 0.00 C ATOM 0 H VAL A 17 10.241 4.214 -9.049 1.00 0.00 H new ATOM 0 HA VAL A 17 10.714 4.335 -6.345 1.00 0.00 H new ATOM 0 HB VAL A 17 12.744 3.818 -8.554 1.00 0.00 H new ATOM 0 HG11 VAL A 17 13.852 2.395 -6.886 1.00 0.00 H new ATOM 0 HG12 VAL A 17 13.777 4.094 -6.361 1.00 0.00 H new ATOM 0 HG13 VAL A 17 12.656 2.898 -5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 17 12.081 1.455 -8.325 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.816 1.927 -7.165 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.721 2.472 -8.857 1.00 0.00 H new ATOM 225 N ASN A 18 12.263 6.722 -7.966 1.00 0.00 N ATOM 226 CA ASN A 18 13.015 7.947 -7.775 1.00 0.00 C ATOM 227 C ASN A 18 12.619 8.650 -6.473 1.00 0.00 C ATOM 228 O ASN A 18 13.467 9.210 -5.777 1.00 0.00 O ATOM 229 CB ASN A 18 12.788 8.872 -8.957 1.00 0.00 C ATOM 230 CG ASN A 18 13.783 8.639 -10.072 1.00 0.00 C ATOM 231 OD1 ASN A 18 14.545 9.665 -10.407 1.00 0.00 O flip ATOM 232 ND2 ASN A 18 13.877 7.550 -10.619 1.00 0.00 N flip ATOM 0 H ASN A 18 11.931 6.569 -8.918 1.00 0.00 H new ATOM 0 HA ASN A 18 14.072 7.692 -7.706 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.778 8.727 -9.339 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.857 9.907 -8.623 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.271 6.781 -10.333 1.00 0.00 H new ATOM 0 HD22 ASN A 18 14.562 7.410 -11.362 1.00 0.00 H new ATOM 239 N GLN A 19 11.333 8.619 -6.143 1.00 0.00 N ATOM 240 CA GLN A 19 10.857 9.257 -4.916 1.00 0.00 C ATOM 241 C GLN A 19 10.648 8.243 -3.794 1.00 0.00 C ATOM 242 O GLN A 19 11.215 8.371 -2.701 1.00 0.00 O ATOM 243 CB GLN A 19 9.548 9.994 -5.174 1.00 0.00 C ATOM 244 CG GLN A 19 9.676 11.103 -6.204 1.00 0.00 C ATOM 245 CD GLN A 19 9.060 12.425 -5.768 1.00 0.00 C ATOM 246 OE1 GLN A 19 8.229 12.412 -4.735 1.00 0.00 O flip ATOM 247 NE2 GLN A 19 9.311 13.458 -6.380 1.00 0.00 N flip ATOM 0 H GLN A 19 10.607 8.166 -6.698 1.00 0.00 H new ATOM 0 HA GLN A 19 11.625 9.964 -4.603 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.797 9.279 -5.511 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.187 10.418 -4.237 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.732 11.261 -6.424 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.202 10.781 -7.131 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.954 13.438 -7.171 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.876 14.336 -6.098 1.00 0.00 H new ATOM 256 N PHE A 20 9.835 7.230 -4.070 1.00 0.00 N ATOM 257 CA PHE A 20 9.556 6.195 -3.089 1.00 0.00 C ATOM 258 C PHE A 20 10.845 5.560 -2.589 1.00 0.00 C ATOM 259 O PHE A 20 10.914 5.087 -1.463 1.00 0.00 O ATOM 260 CB PHE A 20 8.623 5.142 -3.661 1.00 0.00 C ATOM 261 CG PHE A 20 7.217 5.315 -3.177 1.00 0.00 C ATOM 262 CD1 PHE A 20 6.537 6.498 -3.411 1.00 0.00 C ATOM 263 CD2 PHE A 20 6.582 4.305 -2.475 1.00 0.00 C ATOM 264 CE1 PHE A 20 5.248 6.669 -2.957 1.00 0.00 C ATOM 265 CE2 PHE A 20 5.293 4.473 -2.014 1.00 0.00 C ATOM 266 CZ PHE A 20 4.626 5.657 -2.256 1.00 0.00 C ATOM 0 H PHE A 20 9.360 7.106 -4.964 1.00 0.00 H new ATOM 0 HA PHE A 20 9.057 6.663 -2.240 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.641 5.195 -4.750 1.00 0.00 H new ATOM 0 HB3 PHE A 20 8.982 4.151 -3.384 1.00 0.00 H new ATOM 0 HD1 PHE A 20 7.022 7.295 -3.955 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.101 3.377 -2.287 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.725 7.594 -3.150 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.807 3.680 -1.465 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.617 5.791 -1.896 1.00 0.00 H new ATOM 276 N LYS A 21 11.869 5.573 -3.428 1.00 0.00 N ATOM 277 CA LYS A 21 13.165 5.007 -3.065 1.00 0.00 C ATOM 278 C LYS A 21 13.537 5.383 -1.631 1.00 0.00 C ATOM 279 O LYS A 21 14.246 4.647 -0.948 1.00 0.00 O ATOM 280 CB LYS A 21 14.250 5.490 -4.039 1.00 0.00 C ATOM 281 CG LYS A 21 14.414 7.004 -4.090 1.00 0.00 C ATOM 282 CD LYS A 21 15.075 7.546 -2.831 1.00 0.00 C ATOM 283 CE LYS A 21 15.039 9.065 -2.794 1.00 0.00 C ATOM 284 NZ LYS A 21 15.196 9.590 -1.409 1.00 0.00 N ATOM 0 H LYS A 21 11.831 5.969 -4.367 1.00 0.00 H new ATOM 0 HA LYS A 21 13.094 3.921 -3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 21 15.202 5.042 -3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 21 14.012 5.128 -5.039 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.012 7.275 -4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 21 13.437 7.471 -4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.568 7.147 -1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 21 16.109 7.204 -2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.834 9.463 -3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.095 9.416 -3.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.470 10.593 -1.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.295 9.496 -0.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.933 9.048 -0.914 1.00 0.00 H new ATOM 298 N THR A 22 13.047 6.532 -1.170 1.00 0.00 N ATOM 299 CA THR A 22 13.329 6.986 0.193 1.00 0.00 C ATOM 300 C THR A 22 12.859 5.944 1.193 1.00 0.00 C ATOM 301 O THR A 22 13.524 5.653 2.183 1.00 0.00 O ATOM 302 CB THR A 22 12.628 8.317 0.514 1.00 0.00 C ATOM 303 OG1 THR A 22 12.959 9.302 -0.476 1.00 0.00 O ATOM 304 CG2 THR A 22 13.031 8.814 1.896 1.00 0.00 C ATOM 0 H THR A 22 12.457 7.162 -1.714 1.00 0.00 H new ATOM 0 HA THR A 22 14.407 7.133 0.265 1.00 0.00 H new ATOM 0 HB THR A 22 11.551 8.150 0.504 1.00 0.00 H new ATOM 0 HG1 THR A 22 12.439 9.135 -1.290 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.525 9.757 2.105 1.00 0.00 H new ATOM 0 HG22 THR A 22 12.747 8.075 2.645 1.00 0.00 H new ATOM 0 HG23 THR A 22 14.110 8.966 1.928 1.00 0.00 H new ATOM 312 N ILE A 23 11.699 5.386 0.907 1.00 0.00 N ATOM 313 CA ILE A 23 11.104 4.363 1.747 1.00 0.00 C ATOM 314 C ILE A 23 11.293 2.974 1.133 1.00 0.00 C ATOM 315 O ILE A 23 11.581 2.003 1.831 1.00 0.00 O ATOM 316 CB ILE A 23 9.602 4.623 1.944 1.00 0.00 C ATOM 317 CG1 ILE A 23 9.372 6.035 2.484 1.00 0.00 C ATOM 318 CG2 ILE A 23 9.005 3.585 2.883 1.00 0.00 C ATOM 319 CD1 ILE A 23 7.913 6.378 2.675 1.00 0.00 C ATOM 0 H ILE A 23 11.142 5.628 0.087 1.00 0.00 H new ATOM 0 HA ILE A 23 11.607 4.401 2.713 1.00 0.00 H new ATOM 0 HB ILE A 23 9.104 4.540 0.978 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.889 6.139 3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.819 6.755 1.798 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.941 3.782 3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.141 2.590 2.459 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.505 3.639 3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.825 7.394 3.060 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.394 6.306 1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.465 5.681 3.384 1.00 0.00 H new ATOM 331 N GLN A 24 11.116 2.880 -0.181 1.00 0.00 N ATOM 332 CA GLN A 24 11.253 1.620 -0.885 1.00 0.00 C ATOM 333 C GLN A 24 12.345 1.685 -1.954 1.00 0.00 C ATOM 334 O GLN A 24 12.050 1.749 -3.143 1.00 0.00 O ATOM 335 CB GLN A 24 9.928 1.252 -1.534 1.00 0.00 C ATOM 336 CG GLN A 24 9.469 -0.148 -1.178 1.00 0.00 C ATOM 337 CD GLN A 24 9.070 -0.248 0.277 1.00 0.00 C ATOM 338 OE1 GLN A 24 7.896 -0.365 0.599 1.00 0.00 O ATOM 339 NE2 GLN A 24 10.045 -0.169 1.166 1.00 0.00 N ATOM 0 H GLN A 24 10.876 3.671 -0.779 1.00 0.00 H new ATOM 0 HA GLN A 24 11.539 0.860 -0.158 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.166 1.968 -1.226 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.024 1.334 -2.617 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.624 -0.426 -1.808 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.269 -0.858 -1.386 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.012 -0.072 0.855 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.831 -0.205 2.163 1.00 0.00 H new ATOM 348 N PRO A 25 13.620 1.671 -1.551 1.00 0.00 N ATOM 349 CA PRO A 25 14.735 1.728 -2.503 1.00 0.00 C ATOM 350 C PRO A 25 14.837 0.465 -3.363 1.00 0.00 C ATOM 351 O PRO A 25 14.814 0.530 -4.594 1.00 0.00 O ATOM 352 CB PRO A 25 15.964 1.857 -1.599 1.00 0.00 C ATOM 353 CG PRO A 25 15.540 1.279 -0.291 1.00 0.00 C ATOM 354 CD PRO A 25 14.078 1.601 -0.155 1.00 0.00 C ATOM 0 HA PRO A 25 14.620 2.546 -3.214 1.00 0.00 H new ATOM 0 HB2 PRO A 25 16.816 1.317 -2.012 1.00 0.00 H new ATOM 0 HB3 PRO A 25 16.268 2.898 -1.491 1.00 0.00 H new ATOM 0 HG2 PRO A 25 15.707 0.202 -0.267 1.00 0.00 H new ATOM 0 HG3 PRO A 25 16.113 1.709 0.531 1.00 0.00 H new ATOM 0 HD2 PRO A 25 13.546 0.832 0.405 1.00 0.00 H new ATOM 0 HD3 PRO A 25 13.920 2.544 0.369 1.00 0.00 H new ATOM 362 N ASP A 26 14.949 -0.681 -2.702 1.00 0.00 N ATOM 363 CA ASP A 26 15.056 -1.962 -3.381 1.00 0.00 C ATOM 364 C ASP A 26 14.299 -3.037 -2.598 1.00 0.00 C ATOM 365 O ASP A 26 13.663 -2.739 -1.583 1.00 0.00 O ATOM 366 CB ASP A 26 16.527 -2.346 -3.507 1.00 0.00 C ATOM 367 CG ASP A 26 16.758 -3.471 -4.497 1.00 0.00 C ATOM 368 OD1 ASP A 26 15.778 -3.903 -5.140 1.00 0.00 O ATOM 369 OD2 ASP A 26 17.914 -3.918 -4.627 1.00 0.00 O ATOM 0 H ASP A 26 14.968 -0.746 -1.684 1.00 0.00 H new ATOM 0 HA ASP A 26 14.617 -1.881 -4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 26 17.101 -1.472 -3.817 1.00 0.00 H new ATOM 0 HB3 ASP A 26 16.905 -2.645 -2.529 1.00 0.00 H new ATOM 374 N LEU A 27 14.377 -4.275 -3.070 1.00 0.00 N ATOM 375 CA LEU A 27 13.706 -5.412 -2.432 1.00 0.00 C ATOM 376 C LEU A 27 14.299 -5.731 -1.062 1.00 0.00 C ATOM 377 O LEU A 27 14.792 -6.831 -0.814 1.00 0.00 O ATOM 378 CB LEU A 27 13.797 -6.640 -3.331 1.00 0.00 C ATOM 379 CG LEU A 27 13.090 -6.502 -4.680 1.00 0.00 C ATOM 380 CD1 LEU A 27 13.145 -7.813 -5.451 1.00 0.00 C ATOM 381 CD2 LEU A 27 11.649 -6.062 -4.472 1.00 0.00 C ATOM 0 H LEU A 27 14.906 -4.524 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 27 12.662 -5.136 -2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 27 14.849 -6.865 -3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 27 13.374 -7.493 -2.801 1.00 0.00 H new ATOM 0 HG LEU A 27 13.605 -5.742 -5.268 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.637 -7.694 -6.408 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.185 -8.090 -5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.653 -8.596 -4.874 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.155 -5.967 -5.439 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.126 -6.803 -3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 27 11.633 -5.100 -3.960 1.00 0.00 H new ATOM 393 N ASN A 28 14.238 -4.755 -0.185 1.00 0.00 N ATOM 394 CA ASN A 28 14.749 -4.889 1.175 1.00 0.00 C ATOM 395 C ASN A 28 13.839 -4.141 2.144 1.00 0.00 C ATOM 396 O ASN A 28 13.506 -4.633 3.221 1.00 0.00 O ATOM 397 CB ASN A 28 16.177 -4.357 1.247 1.00 0.00 C ATOM 398 CG ASN A 28 16.856 -4.695 2.555 1.00 0.00 C ATOM 399 OD1 ASN A 28 16.408 -4.311 3.631 1.00 0.00 O ATOM 400 ND2 ASN A 28 17.954 -5.419 2.465 1.00 0.00 N ATOM 0 H ASN A 28 13.833 -3.841 -0.388 1.00 0.00 H new ATOM 0 HA ASN A 28 14.761 -5.942 1.457 1.00 0.00 H new ATOM 0 HB2 ASN A 28 16.757 -4.771 0.423 1.00 0.00 H new ATOM 0 HB3 ASN A 28 16.165 -3.275 1.117 1.00 0.00 H new ATOM 0 HD21 ASN A 28 18.464 -5.680 3.309 1.00 0.00 H new ATOM 0 HD22 ASN A 28 18.294 -5.719 1.551 1.00 0.00 H new ATOM 407 N GLY A 29 13.412 -2.953 1.731 1.00 0.00 N ATOM 408 CA GLY A 29 12.514 -2.159 2.546 1.00 0.00 C ATOM 409 C GLY A 29 11.071 -2.343 2.116 1.00 0.00 C ATOM 410 O GLY A 29 10.781 -2.408 0.921 1.00 0.00 O ATOM 0 H GLY A 29 13.673 -2.525 0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.623 -2.443 3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.787 -1.106 2.471 1.00 0.00 H new ATOM 414 N PHE A 30 10.167 -2.455 3.085 1.00 0.00 N ATOM 415 CA PHE A 30 8.742 -2.666 2.792 1.00 0.00 C ATOM 416 C PHE A 30 7.872 -1.578 3.424 1.00 0.00 C ATOM 417 O PHE A 30 8.058 -1.210 4.583 1.00 0.00 O ATOM 418 CB PHE A 30 8.309 -4.040 3.303 1.00 0.00 C ATOM 419 CG PHE A 30 9.188 -5.157 2.812 1.00 0.00 C ATOM 420 CD1 PHE A 30 10.426 -5.387 3.395 1.00 0.00 C ATOM 421 CD2 PHE A 30 8.780 -5.975 1.771 1.00 0.00 C ATOM 422 CE1 PHE A 30 11.239 -6.412 2.948 1.00 0.00 C ATOM 423 CE2 PHE A 30 9.590 -7.001 1.319 1.00 0.00 C ATOM 424 CZ PHE A 30 10.821 -7.219 1.908 1.00 0.00 C ATOM 0 H PHE A 30 10.389 -2.404 4.079 1.00 0.00 H new ATOM 0 HA PHE A 30 8.608 -2.616 1.711 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.315 -4.034 4.393 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.282 -4.230 2.991 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.758 -4.758 4.208 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.819 -5.810 1.307 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.200 -6.581 3.411 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.261 -7.631 0.506 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.455 -8.019 1.556 1.00 0.00 H new ATOM 434 N ILE A 31 6.931 -1.058 2.645 1.00 0.00 N ATOM 435 CA ILE A 31 6.035 -0.003 3.109 1.00 0.00 C ATOM 436 C ILE A 31 4.761 -0.557 3.750 1.00 0.00 C ATOM 437 O ILE A 31 3.938 -1.182 3.089 1.00 0.00 O ATOM 438 CB ILE A 31 5.623 0.919 1.944 1.00 0.00 C ATOM 439 CG1 ILE A 31 6.748 1.884 1.590 1.00 0.00 C ATOM 440 CG2 ILE A 31 4.364 1.691 2.291 1.00 0.00 C ATOM 441 CD1 ILE A 31 6.528 2.593 0.272 1.00 0.00 C ATOM 0 H ILE A 31 6.767 -1.352 1.682 1.00 0.00 H new ATOM 0 HA ILE A 31 6.593 0.556 3.860 1.00 0.00 H new ATOM 0 HB ILE A 31 5.420 0.291 1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.846 2.626 2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.689 1.336 1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.091 2.336 1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.552 0.992 2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 31 4.544 2.301 3.176 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.363 3.266 0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.459 1.858 -0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.603 3.167 0.318 1.00 0.00 H new ATOM 453 N PRO A 32 4.553 -0.296 5.039 1.00 0.00 N ATOM 454 CA PRO A 32 3.346 -0.747 5.725 1.00 0.00 C ATOM 455 C PRO A 32 2.114 -0.041 5.159 1.00 0.00 C ATOM 456 O PRO A 32 2.198 1.117 4.736 1.00 0.00 O ATOM 457 CB PRO A 32 3.586 -0.342 7.181 1.00 0.00 C ATOM 458 CG PRO A 32 4.575 0.772 7.110 1.00 0.00 C ATOM 459 CD PRO A 32 5.440 0.482 5.915 1.00 0.00 C ATOM 0 HA PRO A 32 3.163 -1.815 5.610 1.00 0.00 H new ATOM 0 HB2 PRO A 32 2.661 -0.020 7.659 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.973 -1.177 7.765 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.073 1.734 7.004 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.172 0.823 8.021 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.780 1.398 5.432 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.331 -0.083 6.190 1.00 0.00 H new ATOM 467 N GLY A 33 0.973 -0.718 5.143 1.00 0.00 N ATOM 468 CA GLY A 33 -0.227 -0.092 4.605 1.00 0.00 C ATOM 469 C GLY A 33 -0.389 1.331 5.108 1.00 0.00 C ATOM 470 O GLY A 33 -0.866 2.214 4.390 1.00 0.00 O ATOM 0 H GLY A 33 0.853 -1.671 5.485 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.180 -0.090 3.516 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.101 -0.679 4.885 1.00 0.00 H new ATOM 474 N SER A 34 0.032 1.556 6.338 1.00 0.00 N ATOM 475 CA SER A 34 -0.039 2.873 6.942 1.00 0.00 C ATOM 476 C SER A 34 0.659 3.909 6.057 1.00 0.00 C ATOM 477 O SER A 34 0.118 4.982 5.795 1.00 0.00 O ATOM 478 CB SER A 34 0.624 2.831 8.315 1.00 0.00 C ATOM 479 OG SER A 34 0.294 1.630 8.994 1.00 0.00 O ATOM 0 H SER A 34 0.430 0.837 6.943 1.00 0.00 H new ATOM 0 HA SER A 34 -1.085 3.161 7.047 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.706 2.907 8.205 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.303 3.689 8.906 1.00 0.00 H new ATOM 0 HG SER A 34 0.730 1.620 9.872 1.00 0.00 H new ATOM 485 N ALA A 35 1.858 3.575 5.582 1.00 0.00 N ATOM 486 CA ALA A 35 2.611 4.478 4.721 1.00 0.00 C ATOM 487 C ALA A 35 2.016 4.525 3.318 1.00 0.00 C ATOM 488 O ALA A 35 1.836 5.598 2.748 1.00 0.00 O ATOM 489 CB ALA A 35 4.071 4.062 4.659 1.00 0.00 C ATOM 0 H ALA A 35 2.325 2.690 5.779 1.00 0.00 H new ATOM 0 HA ALA A 35 2.548 5.478 5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.618 4.748 4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.500 4.089 5.661 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.144 3.050 4.260 1.00 0.00 H new ATOM 495 N ALA A 36 1.703 3.363 2.763 1.00 0.00 N ATOM 496 CA ALA A 36 1.123 3.309 1.427 1.00 0.00 C ATOM 497 C ALA A 36 -0.130 4.180 1.363 1.00 0.00 C ATOM 498 O ALA A 36 -0.246 5.074 0.527 1.00 0.00 O ATOM 499 CB ALA A 36 0.797 1.871 1.047 1.00 0.00 C ATOM 0 H ALA A 36 1.838 2.456 3.209 1.00 0.00 H new ATOM 0 HA ALA A 36 1.850 3.694 0.712 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.365 1.848 0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.709 1.275 1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.083 1.459 1.760 1.00 0.00 H new ATOM 505 N LYS A 37 -1.058 3.934 2.272 1.00 0.00 N ATOM 506 CA LYS A 37 -2.280 4.705 2.329 1.00 0.00 C ATOM 507 C LYS A 37 -1.978 6.183 2.563 1.00 0.00 C ATOM 508 O LYS A 37 -2.548 7.049 1.905 1.00 0.00 O ATOM 509 CB LYS A 37 -3.181 4.137 3.415 1.00 0.00 C ATOM 510 CG LYS A 37 -4.247 3.203 2.867 1.00 0.00 C ATOM 511 CD LYS A 37 -4.848 2.321 3.947 1.00 0.00 C ATOM 512 CE LYS A 37 -5.923 1.413 3.371 1.00 0.00 C ATOM 513 NZ LYS A 37 -6.363 0.377 4.342 1.00 0.00 N ATOM 0 H LYS A 37 -0.985 3.204 2.980 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.800 4.634 1.374 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.572 3.599 4.142 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.662 4.957 3.947 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.037 3.791 2.399 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.813 2.576 2.088 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.065 1.718 4.407 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.275 2.943 4.734 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.781 2.014 3.070 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.543 0.928 2.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.096 -0.218 3.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.551 -0.215 4.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.751 0.838 5.190 1.00 0.00 H new ATOM 527 N GLU A 38 -1.061 6.474 3.476 1.00 0.00 N ATOM 528 CA GLU A 38 -0.681 7.858 3.738 1.00 0.00 C ATOM 529 C GLU A 38 -0.149 8.512 2.465 1.00 0.00 C ATOM 530 O GLU A 38 -0.545 9.619 2.101 1.00 0.00 O ATOM 531 CB GLU A 38 0.394 7.924 4.819 1.00 0.00 C ATOM 532 CG GLU A 38 0.005 8.764 6.026 1.00 0.00 C ATOM 533 CD GLU A 38 0.878 9.998 6.167 1.00 0.00 C ATOM 534 OE1 GLU A 38 2.100 9.837 6.384 1.00 0.00 O ATOM 535 OE2 GLU A 38 0.349 11.122 6.043 1.00 0.00 O ATOM 0 H GLU A 38 -0.571 5.781 4.042 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.568 8.392 4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.623 6.912 5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.307 8.331 4.385 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.038 9.067 5.936 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.084 8.159 6.929 1.00 0.00 H new ATOM 542 N PHE A 39 0.756 7.814 1.790 1.00 0.00 N ATOM 543 CA PHE A 39 1.350 8.316 0.563 1.00 0.00 C ATOM 544 C PHE A 39 0.307 8.443 -0.547 1.00 0.00 C ATOM 545 O PHE A 39 0.128 9.510 -1.130 1.00 0.00 O ATOM 546 CB PHE A 39 2.459 7.371 0.110 1.00 0.00 C ATOM 547 CG PHE A 39 3.775 8.056 -0.134 1.00 0.00 C ATOM 548 CD1 PHE A 39 3.953 8.880 -1.237 1.00 0.00 C ATOM 549 CD2 PHE A 39 4.837 7.873 0.739 1.00 0.00 C ATOM 550 CE1 PHE A 39 5.164 9.510 -1.459 1.00 0.00 C ATOM 551 CE2 PHE A 39 6.048 8.501 0.519 1.00 0.00 C ATOM 552 CZ PHE A 39 6.212 9.320 -0.580 1.00 0.00 C ATOM 0 H PHE A 39 1.094 6.895 2.075 1.00 0.00 H new ATOM 0 HA PHE A 39 1.759 9.306 0.763 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.597 6.598 0.866 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.145 6.869 -0.806 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.137 9.031 -1.929 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.716 7.233 1.600 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.290 10.150 -2.320 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.867 8.351 1.207 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.158 9.811 -0.752 1.00 0.00 H new ATOM 562 N PHE A 40 -0.376 7.344 -0.833 1.00 0.00 N ATOM 563 CA PHE A 40 -1.395 7.334 -1.874 1.00 0.00 C ATOM 564 C PHE A 40 -2.528 8.309 -1.564 1.00 0.00 C ATOM 565 O PHE A 40 -2.888 9.134 -2.401 1.00 0.00 O ATOM 566 CB PHE A 40 -1.951 5.924 -2.074 1.00 0.00 C ATOM 567 CG PHE A 40 -1.021 5.018 -2.831 1.00 0.00 C ATOM 568 CD1 PHE A 40 -0.070 4.258 -2.168 1.00 0.00 C ATOM 569 CD2 PHE A 40 -1.091 4.938 -4.213 1.00 0.00 C ATOM 570 CE1 PHE A 40 0.790 3.435 -2.868 1.00 0.00 C ATOM 571 CE2 PHE A 40 -0.234 4.115 -4.918 1.00 0.00 C ATOM 572 CZ PHE A 40 0.708 3.362 -4.244 1.00 0.00 C ATOM 0 H PHE A 40 -0.244 6.450 -0.361 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.918 7.659 -2.798 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -2.163 5.483 -1.100 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.899 5.988 -2.608 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.001 4.310 -1.091 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.824 5.526 -4.745 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.527 2.849 -2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.300 4.060 -5.995 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.379 2.718 -4.793 1.00 0.00 H new ATOM 582 N THR A 41 -3.085 8.225 -0.363 1.00 0.00 N ATOM 583 CA THR A 41 -4.169 9.126 0.018 1.00 0.00 C ATOM 584 C THR A 41 -3.825 10.560 -0.374 1.00 0.00 C ATOM 585 O THR A 41 -4.620 11.252 -1.008 1.00 0.00 O ATOM 586 CB THR A 41 -4.469 9.069 1.530 1.00 0.00 C ATOM 587 OG1 THR A 41 -4.900 7.751 1.899 1.00 0.00 O ATOM 588 CG2 THR A 41 -5.540 10.077 1.909 1.00 0.00 C ATOM 0 H THR A 41 -2.811 7.554 0.355 1.00 0.00 H new ATOM 0 HA THR A 41 -5.061 8.796 -0.515 1.00 0.00 H new ATOM 0 HB THR A 41 -3.552 9.315 2.065 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.138 7.244 2.250 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.733 10.017 2.980 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.200 11.081 1.657 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.457 9.857 1.362 1.00 0.00 H new ATOM 596 N LYS A 42 -2.619 10.991 -0.024 1.00 0.00 N ATOM 597 CA LYS A 42 -2.159 12.332 -0.372 1.00 0.00 C ATOM 598 C LYS A 42 -2.353 12.608 -1.864 1.00 0.00 C ATOM 599 O LYS A 42 -2.568 13.746 -2.271 1.00 0.00 O ATOM 600 CB LYS A 42 -0.683 12.497 -0.003 1.00 0.00 C ATOM 601 CG LYS A 42 -0.458 13.019 1.407 1.00 0.00 C ATOM 602 CD LYS A 42 1.021 13.056 1.761 1.00 0.00 C ATOM 603 CE LYS A 42 1.602 11.660 1.927 1.00 0.00 C ATOM 604 NZ LYS A 42 3.021 11.708 2.383 1.00 0.00 N ATOM 0 H LYS A 42 -1.943 10.434 0.499 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.754 13.050 0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.182 11.535 -0.108 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.215 13.180 -0.712 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.879 14.020 1.496 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.987 12.386 2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.567 13.586 0.981 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.159 13.618 2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.006 11.100 2.648 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.541 11.125 0.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.386 10.739 2.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.594 12.221 1.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.075 12.197 3.299 1.00 0.00 H new ATOM 618 N SER A 43 -2.263 11.559 -2.671 1.00 0.00 N ATOM 619 CA SER A 43 -2.417 11.687 -4.122 1.00 0.00 C ATOM 620 C SER A 43 -3.701 12.429 -4.501 1.00 0.00 C ATOM 621 O SER A 43 -3.656 13.447 -5.193 1.00 0.00 O ATOM 622 CB SER A 43 -2.420 10.302 -4.775 1.00 0.00 C ATOM 623 OG SER A 43 -2.651 10.393 -6.169 1.00 0.00 O ATOM 0 H SER A 43 -2.084 10.608 -2.349 1.00 0.00 H new ATOM 0 HA SER A 43 -1.571 12.270 -4.486 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.465 9.810 -4.594 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.190 9.682 -4.316 1.00 0.00 H new ATOM 0 HG SER A 43 -2.646 9.495 -6.561 1.00 0.00 H new ATOM 629 N LYS A 44 -4.841 11.919 -4.042 1.00 0.00 N ATOM 630 CA LYS A 44 -6.133 12.545 -4.335 1.00 0.00 C ATOM 631 C LYS A 44 -7.292 11.574 -4.093 1.00 0.00 C ATOM 632 O LYS A 44 -8.311 11.942 -3.513 1.00 0.00 O ATOM 633 CB LYS A 44 -6.187 13.028 -5.787 1.00 0.00 C ATOM 634 CG LYS A 44 -6.728 14.440 -5.942 1.00 0.00 C ATOM 635 CD LYS A 44 -5.673 15.482 -5.606 1.00 0.00 C ATOM 636 CE LYS A 44 -6.219 16.892 -5.763 1.00 0.00 C ATOM 637 NZ LYS A 44 -7.481 17.087 -4.997 1.00 0.00 N ATOM 0 H LYS A 44 -4.900 11.078 -3.468 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.235 13.396 -3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.185 12.984 -6.213 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.809 12.345 -6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.074 14.588 -6.965 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.592 14.573 -5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.327 15.336 -4.583 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.808 15.350 -6.257 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.473 17.610 -5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.400 17.096 -6.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.685 18.104 -4.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.264 16.614 -5.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.376 16.679 -4.046 1.00 0.00 H new ATOM 651 N LEU A 45 -7.140 10.336 -4.558 1.00 0.00 N ATOM 652 CA LEU A 45 -8.190 9.331 -4.394 1.00 0.00 C ATOM 653 C LEU A 45 -8.449 9.002 -2.923 1.00 0.00 C ATOM 654 O LEU A 45 -7.527 8.910 -2.112 1.00 0.00 O ATOM 655 CB LEU A 45 -7.857 8.054 -5.168 1.00 0.00 C ATOM 656 CG LEU A 45 -8.308 8.050 -6.632 1.00 0.00 C ATOM 657 CD1 LEU A 45 -7.590 9.131 -7.420 1.00 0.00 C ATOM 658 CD2 LEU A 45 -8.072 6.685 -7.256 1.00 0.00 C ATOM 0 H LEU A 45 -6.308 10.006 -5.047 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.103 9.763 -4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.779 7.897 -5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.318 7.208 -4.659 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.377 8.263 -6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.926 9.109 -8.457 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.813 10.106 -6.987 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.515 8.955 -7.383 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.398 6.699 -8.296 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.010 6.443 -7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.639 5.932 -6.709 1.00 0.00 H new ATOM 670 N PRO A 46 -9.727 8.819 -2.568 1.00 0.00 N ATOM 671 CA PRO A 46 -10.141 8.500 -1.197 1.00 0.00 C ATOM 672 C PRO A 46 -9.674 7.120 -0.725 1.00 0.00 C ATOM 673 O PRO A 46 -9.645 6.158 -1.492 1.00 0.00 O ATOM 674 CB PRO A 46 -11.670 8.549 -1.263 1.00 0.00 C ATOM 675 CG PRO A 46 -12.003 8.312 -2.695 1.00 0.00 C ATOM 676 CD PRO A 46 -10.875 8.909 -3.487 1.00 0.00 C ATOM 0 HA PRO A 46 -9.702 9.196 -0.482 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -12.117 7.788 -0.623 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -12.049 9.513 -0.924 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -12.103 7.246 -2.901 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.953 8.778 -2.957 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -10.695 8.357 -4.409 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -11.084 9.941 -3.769 1.00 0.00 H new ATOM 684 N ILE A 47 -9.321 7.032 0.556 1.00 0.00 N ATOM 685 CA ILE A 47 -8.864 5.774 1.153 1.00 0.00 C ATOM 686 C ILE A 47 -9.703 4.593 0.665 1.00 0.00 C ATOM 687 O ILE A 47 -9.231 3.455 0.602 1.00 0.00 O ATOM 688 CB ILE A 47 -8.954 5.824 2.691 1.00 0.00 C ATOM 689 CG1 ILE A 47 -8.189 7.026 3.241 1.00 0.00 C ATOM 690 CG2 ILE A 47 -8.423 4.534 3.294 1.00 0.00 C ATOM 691 CD1 ILE A 47 -8.181 7.095 4.755 1.00 0.00 C ATOM 0 H ILE A 47 -9.342 7.819 1.204 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.826 5.640 0.847 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.002 5.933 2.969 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.161 6.988 2.881 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.631 7.940 2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.493 4.584 4.381 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.013 3.693 2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.381 4.398 3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.620 7.973 5.076 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.205 7.164 5.121 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.712 6.197 5.158 1.00 0.00 H new ATOM 703 N LEU A 48 -10.954 4.878 0.337 1.00 0.00 N ATOM 704 CA LEU A 48 -11.883 3.859 -0.129 1.00 0.00 C ATOM 705 C LEU A 48 -11.238 2.959 -1.184 1.00 0.00 C ATOM 706 O LEU A 48 -10.830 1.832 -0.891 1.00 0.00 O ATOM 707 CB LEU A 48 -13.118 4.538 -0.715 1.00 0.00 C ATOM 708 CG LEU A 48 -14.261 3.602 -1.095 1.00 0.00 C ATOM 709 CD1 LEU A 48 -14.766 2.863 0.135 1.00 0.00 C ATOM 710 CD2 LEU A 48 -15.388 4.386 -1.749 1.00 0.00 C ATOM 0 H LEU A 48 -11.352 5.816 0.386 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.165 3.234 0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -13.490 5.264 0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -12.818 5.097 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.892 2.868 -1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.582 2.198 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.954 2.277 0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -15.125 3.583 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.197 3.706 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -15.760 5.138 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -15.016 4.877 -2.648 1.00 0.00 H new ATOM 722 N GLU A 49 -11.134 3.457 -2.408 1.00 0.00 N ATOM 723 CA GLU A 49 -10.526 2.688 -3.487 1.00 0.00 C ATOM 724 C GLU A 49 -9.141 2.198 -3.062 1.00 0.00 C ATOM 725 O GLU A 49 -8.756 1.053 -3.320 1.00 0.00 O ATOM 726 CB GLU A 49 -10.427 3.523 -4.767 1.00 0.00 C ATOM 727 CG GLU A 49 -11.770 3.804 -5.435 1.00 0.00 C ATOM 728 CD GLU A 49 -12.603 4.849 -4.715 1.00 0.00 C ATOM 729 OE1 GLU A 49 -12.174 5.326 -3.642 1.00 0.00 O ATOM 730 OE2 GLU A 49 -13.686 5.200 -5.229 1.00 0.00 O ATOM 0 H GLU A 49 -11.460 4.385 -2.679 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.160 1.826 -3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.945 4.472 -4.532 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.782 3.005 -5.477 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.594 4.134 -6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.338 2.876 -5.493 1.00 0.00 H new ATOM 737 N LEU A 50 -8.408 3.065 -2.374 1.00 0.00 N ATOM 738 CA LEU A 50 -7.081 2.714 -1.879 1.00 0.00 C ATOM 739 C LEU A 50 -7.098 1.312 -1.271 1.00 0.00 C ATOM 740 O LEU A 50 -6.177 0.518 -1.475 1.00 0.00 O ATOM 741 CB LEU A 50 -6.625 3.727 -0.823 1.00 0.00 C ATOM 742 CG LEU A 50 -5.966 4.996 -1.367 1.00 0.00 C ATOM 743 CD1 LEU A 50 -6.912 5.754 -2.285 1.00 0.00 C ATOM 744 CD2 LEU A 50 -5.511 5.886 -0.221 1.00 0.00 C ATOM 0 H LEU A 50 -8.708 4.013 -2.146 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.383 2.732 -2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.489 4.016 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.923 3.234 -0.151 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.094 4.702 -1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.417 6.651 -2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.190 5.118 -3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.808 6.037 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.044 6.785 -0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.372 6.165 0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.791 5.347 0.395 1.00 0.00 H new ATOM 756 N SER A 51 -8.159 1.010 -0.530 1.00 0.00 N ATOM 757 CA SER A 51 -8.305 -0.298 0.104 1.00 0.00 C ATOM 758 C SER A 51 -8.194 -1.422 -0.924 1.00 0.00 C ATOM 759 O SER A 51 -7.450 -2.384 -0.730 1.00 0.00 O ATOM 760 CB SER A 51 -9.653 -0.396 0.821 1.00 0.00 C ATOM 761 OG SER A 51 -9.766 -1.616 1.537 1.00 0.00 O ATOM 0 H SER A 51 -8.931 1.652 -0.353 1.00 0.00 H new ATOM 0 HA SER A 51 -7.499 -0.406 0.830 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.765 0.443 1.508 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.461 -0.322 0.093 1.00 0.00 H new ATOM 0 HG SER A 51 -10.636 -1.652 1.987 1.00 0.00 H new ATOM 767 N HIS A 52 -8.928 -1.293 -2.023 1.00 0.00 N ATOM 768 CA HIS A 52 -8.895 -2.304 -3.074 1.00 0.00 C ATOM 769 C HIS A 52 -7.485 -2.432 -3.645 1.00 0.00 C ATOM 770 O HIS A 52 -7.033 -3.523 -3.993 1.00 0.00 O ATOM 771 CB HIS A 52 -9.888 -1.955 -4.184 1.00 0.00 C ATOM 772 CG HIS A 52 -10.020 -3.023 -5.228 1.00 0.00 C ATOM 773 ND1 HIS A 52 -10.377 -4.324 -4.952 1.00 0.00 N ATOM 774 CD2 HIS A 52 -9.851 -2.958 -6.574 1.00 0.00 C ATOM 775 CE1 HIS A 52 -10.414 -4.995 -6.111 1.00 0.00 C ATOM 776 NE2 HIS A 52 -10.103 -4.212 -7.126 1.00 0.00 N ATOM 0 H HIS A 52 -9.549 -0.505 -2.209 1.00 0.00 H new ATOM 0 HA HIS A 52 -9.183 -3.262 -2.640 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -10.866 -1.770 -3.740 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -9.574 -1.027 -4.663 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -10.578 -4.709 -4.029 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.567 -2.075 -7.128 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -10.666 -6.041 -6.202 1.00 0.00 H new ATOM 784 N ILE A 53 -6.790 -1.306 -3.738 1.00 0.00 N ATOM 785 CA ILE A 53 -5.435 -1.302 -4.266 1.00 0.00 C ATOM 786 C ILE A 53 -4.502 -2.131 -3.389 1.00 0.00 C ATOM 787 O ILE A 53 -3.775 -2.986 -3.887 1.00 0.00 O ATOM 788 CB ILE A 53 -4.872 0.126 -4.387 1.00 0.00 C ATOM 789 CG1 ILE A 53 -5.824 1.008 -5.192 1.00 0.00 C ATOM 790 CG2 ILE A 53 -3.499 0.094 -5.041 1.00 0.00 C ATOM 791 CD1 ILE A 53 -5.283 2.396 -5.461 1.00 0.00 C ATOM 0 H ILE A 53 -7.140 -0.390 -3.456 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.488 -1.743 -5.261 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.774 0.548 -3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.041 0.521 -6.143 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.769 1.093 -4.655 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.111 1.109 -5.121 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.821 -0.507 -4.435 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.580 -0.343 -6.036 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.012 2.966 -6.037 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.093 2.902 -4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.354 2.321 -6.025 1.00 0.00 H new ATOM 803 N TRP A 54 -4.520 -1.887 -2.082 1.00 0.00 N ATOM 804 CA TRP A 54 -3.656 -2.641 -1.180 1.00 0.00 C ATOM 805 C TRP A 54 -3.963 -4.131 -1.238 1.00 0.00 C ATOM 806 O TRP A 54 -3.073 -4.947 -1.443 1.00 0.00 O ATOM 807 CB TRP A 54 -3.797 -2.186 0.267 1.00 0.00 C ATOM 808 CG TRP A 54 -2.913 -2.990 1.169 1.00 0.00 C ATOM 809 CD1 TRP A 54 -3.183 -4.222 1.700 1.00 0.00 C ATOM 810 CD2 TRP A 54 -1.606 -2.633 1.623 1.00 0.00 C ATOM 811 NE1 TRP A 54 -2.113 -4.654 2.449 1.00 0.00 N ATOM 812 CE2 TRP A 54 -1.136 -3.692 2.421 1.00 0.00 C ATOM 813 CE3 TRP A 54 -0.786 -1.518 1.430 1.00 0.00 C ATOM 814 CZ2 TRP A 54 0.119 -3.667 3.023 1.00 0.00 C ATOM 815 CZ3 TRP A 54 0.457 -1.494 2.029 1.00 0.00 C ATOM 816 CH2 TRP A 54 0.900 -2.563 2.816 1.00 0.00 C ATOM 0 H TRP A 54 -5.110 -1.188 -1.631 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.637 -2.453 -1.518 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.540 -1.130 0.347 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.835 -2.287 0.584 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.100 -4.773 1.553 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.056 -5.544 2.944 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.119 -0.689 0.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.464 -4.490 3.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.098 -0.636 1.888 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.879 -2.515 3.269 1.00 0.00 H new ATOM 827 N GLU A 55 -5.222 -4.486 -1.041 1.00 0.00 N ATOM 828 CA GLU A 55 -5.608 -5.890 -1.064 1.00 0.00 C ATOM 829 C GLU A 55 -5.127 -6.558 -2.349 1.00 0.00 C ATOM 830 O GLU A 55 -4.566 -7.651 -2.313 1.00 0.00 O ATOM 831 CB GLU A 55 -7.118 -6.039 -0.893 1.00 0.00 C ATOM 832 CG GLU A 55 -7.935 -5.324 -1.953 1.00 0.00 C ATOM 833 CD GLU A 55 -9.389 -5.171 -1.551 1.00 0.00 C ATOM 834 OE1 GLU A 55 -9.697 -5.374 -0.356 1.00 0.00 O ATOM 835 OE2 GLU A 55 -10.214 -4.822 -2.422 1.00 0.00 O ATOM 0 H GLU A 55 -5.986 -3.833 -0.866 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.128 -6.394 -0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.372 -7.099 -0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.401 -5.657 0.088 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.505 -4.339 -2.137 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.875 -5.878 -2.890 1.00 0.00 H new ATOM 842 N LEU A 56 -5.315 -5.890 -3.480 1.00 0.00 N ATOM 843 CA LEU A 56 -4.855 -6.435 -4.753 1.00 0.00 C ATOM 844 C LEU A 56 -3.326 -6.462 -4.817 1.00 0.00 C ATOM 845 O LEU A 56 -2.730 -7.482 -5.140 1.00 0.00 O ATOM 846 CB LEU A 56 -5.413 -5.618 -5.920 1.00 0.00 C ATOM 847 CG LEU A 56 -6.736 -6.131 -6.482 1.00 0.00 C ATOM 848 CD1 LEU A 56 -7.778 -6.213 -5.382 1.00 0.00 C ATOM 849 CD2 LEU A 56 -7.219 -5.239 -7.616 1.00 0.00 C ATOM 0 H LEU A 56 -5.776 -4.982 -3.544 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.222 -7.458 -4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.548 -4.587 -5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.675 -5.603 -6.722 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.578 -7.132 -6.883 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.717 -6.580 -5.797 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.433 -6.895 -4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.933 -5.223 -4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.163 -5.622 -8.003 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.364 -4.224 -7.245 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.477 -5.231 -8.414 1.00 0.00 H new ATOM 861 N SER A 57 -2.699 -5.336 -4.510 1.00 0.00 N ATOM 862 CA SER A 57 -1.241 -5.229 -4.538 1.00 0.00 C ATOM 863 C SER A 57 -0.569 -6.061 -3.447 1.00 0.00 C ATOM 864 O SER A 57 0.602 -6.400 -3.561 1.00 0.00 O ATOM 865 CB SER A 57 -0.817 -3.766 -4.396 1.00 0.00 C ATOM 866 OG SER A 57 -1.028 -3.048 -5.600 1.00 0.00 O ATOM 0 H SER A 57 -3.177 -4.477 -4.237 1.00 0.00 H new ATOM 0 HA SER A 57 -0.915 -5.623 -5.500 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.381 -3.299 -3.588 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.236 -3.716 -4.120 1.00 0.00 H new ATOM 0 HG SER A 57 -1.547 -2.239 -5.411 1.00 0.00 H new ATOM 872 N ASP A 58 -1.298 -6.371 -2.385 1.00 0.00 N ATOM 873 CA ASP A 58 -0.735 -7.138 -1.277 1.00 0.00 C ATOM 874 C ASP A 58 -1.069 -8.624 -1.411 1.00 0.00 C ATOM 875 O ASP A 58 -1.569 -9.252 -0.482 1.00 0.00 O ATOM 876 CB ASP A 58 -1.253 -6.580 0.053 1.00 0.00 C ATOM 877 CG ASP A 58 -0.504 -7.124 1.252 1.00 0.00 C ATOM 878 OD1 ASP A 58 0.747 -7.096 1.234 1.00 0.00 O ATOM 879 OD2 ASP A 58 -1.163 -7.549 2.228 1.00 0.00 O ATOM 0 H ASP A 58 -2.276 -6.106 -2.265 1.00 0.00 H new ATOM 0 HA ASP A 58 0.351 -7.043 -1.302 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.171 -5.493 0.042 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.312 -6.818 0.154 1.00 0.00 H new ATOM 884 N PHE A 59 -0.774 -9.177 -2.585 1.00 0.00 N ATOM 885 CA PHE A 59 -1.034 -10.591 -2.867 1.00 0.00 C ATOM 886 C PHE A 59 -0.515 -11.528 -1.767 1.00 0.00 C ATOM 887 O PHE A 59 -0.827 -12.715 -1.765 1.00 0.00 O ATOM 888 CB PHE A 59 -0.389 -10.998 -4.193 1.00 0.00 C ATOM 889 CG PHE A 59 -1.064 -10.438 -5.410 1.00 0.00 C ATOM 890 CD1 PHE A 59 -0.796 -9.149 -5.844 1.00 0.00 C ATOM 891 CD2 PHE A 59 -1.965 -11.209 -6.126 1.00 0.00 C ATOM 892 CE1 PHE A 59 -1.415 -8.642 -6.971 1.00 0.00 C ATOM 893 CE2 PHE A 59 -2.588 -10.707 -7.251 1.00 0.00 C ATOM 894 CZ PHE A 59 -2.313 -9.422 -7.676 1.00 0.00 C ATOM 0 H PHE A 59 -0.353 -8.667 -3.361 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.118 -10.694 -2.916 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.652 -10.676 -4.190 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.386 -12.086 -4.263 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.097 -8.535 -5.296 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.183 -12.215 -5.800 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.197 -7.637 -7.301 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.290 -11.319 -7.798 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.798 -9.027 -8.557 1.00 0.00 H new ATOM 904 N ASP A 60 0.296 -11.008 -0.858 1.00 0.00 N ATOM 905 CA ASP A 60 0.869 -11.833 0.207 1.00 0.00 C ATOM 906 C ASP A 60 0.094 -11.720 1.520 1.00 0.00 C ATOM 907 O ASP A 60 -0.067 -12.706 2.240 1.00 0.00 O ATOM 908 CB ASP A 60 2.320 -11.429 0.434 1.00 0.00 C ATOM 909 CG ASP A 60 2.462 -9.944 0.621 1.00 0.00 C ATOM 910 OD1 ASP A 60 1.765 -9.375 1.487 1.00 0.00 O ATOM 911 OD2 ASP A 60 3.266 -9.323 -0.092 1.00 0.00 O ATOM 0 H ASP A 60 0.574 -10.027 -0.832 1.00 0.00 H new ATOM 0 HA ASP A 60 0.807 -12.872 -0.116 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.708 -11.945 1.312 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.924 -11.748 -0.416 1.00 0.00 H new ATOM 916 N LYS A 61 -0.357 -10.513 1.838 1.00 0.00 N ATOM 917 CA LYS A 61 -1.086 -10.264 3.076 1.00 0.00 C ATOM 918 C LYS A 61 -0.114 -10.075 4.239 1.00 0.00 C ATOM 919 O LYS A 61 -0.336 -10.572 5.341 1.00 0.00 O ATOM 920 CB LYS A 61 -2.060 -11.408 3.380 1.00 0.00 C ATOM 921 CG LYS A 61 -3.511 -11.045 3.130 1.00 0.00 C ATOM 922 CD LYS A 61 -3.938 -9.891 4.019 1.00 0.00 C ATOM 923 CE LYS A 61 -5.363 -9.454 3.733 1.00 0.00 C ATOM 924 NZ LYS A 61 -5.751 -8.289 4.571 1.00 0.00 N ATOM 0 H LYS A 61 -0.230 -9.687 1.253 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.664 -9.349 2.948 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.798 -12.271 2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.942 -11.709 4.421 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.648 -10.774 2.083 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.145 -11.911 3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.852 -10.187 5.065 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.263 -9.048 3.870 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.461 -9.195 2.679 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.045 -10.283 3.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.730 -8.015 4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.680 -8.546 5.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.115 -7.491 4.372 1.00 0.00 H new ATOM 938 N ASP A 62 0.968 -9.349 3.983 1.00 0.00 N ATOM 939 CA ASP A 62 1.981 -9.091 5.007 1.00 0.00 C ATOM 940 C ASP A 62 1.794 -7.710 5.642 1.00 0.00 C ATOM 941 O ASP A 62 2.560 -7.307 6.517 1.00 0.00 O ATOM 942 CB ASP A 62 3.370 -9.173 4.383 1.00 0.00 C ATOM 943 CG ASP A 62 3.442 -8.319 3.145 1.00 0.00 C ATOM 944 OD1 ASP A 62 2.707 -7.321 3.078 1.00 0.00 O ATOM 945 OD2 ASP A 62 4.216 -8.629 2.223 1.00 0.00 O ATOM 0 H ASP A 62 1.169 -8.927 3.076 1.00 0.00 H new ATOM 0 HA ASP A 62 1.873 -9.845 5.787 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.119 -8.844 5.103 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.602 -10.208 4.132 1.00 0.00 H new ATOM 950 N GLY A 63 0.790 -6.974 5.180 1.00 0.00 N ATOM 951 CA GLY A 63 0.555 -5.640 5.705 1.00 0.00 C ATOM 952 C GLY A 63 1.675 -4.694 5.318 1.00 0.00 C ATOM 953 O GLY A 63 1.735 -3.543 5.770 1.00 0.00 O ATOM 0 H GLY A 63 0.137 -7.274 4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.394 -5.259 5.326 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.471 -5.683 6.791 1.00 0.00 H new ATOM 957 N ALA A 64 2.552 -5.190 4.458 1.00 0.00 N ATOM 958 CA ALA A 64 3.684 -4.428 3.968 1.00 0.00 C ATOM 959 C ALA A 64 3.783 -4.524 2.445 1.00 0.00 C ATOM 960 O ALA A 64 3.620 -5.594 1.854 1.00 0.00 O ATOM 961 CB ALA A 64 4.969 -4.922 4.615 1.00 0.00 C ATOM 0 H ALA A 64 2.496 -6.136 4.081 1.00 0.00 H new ATOM 0 HA ALA A 64 3.536 -3.381 4.235 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.812 -4.342 4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.901 -4.804 5.696 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.116 -5.975 4.374 1.00 0.00 H new ATOM 967 N LEU A 65 4.039 -3.401 1.811 1.00 0.00 N ATOM 968 CA LEU A 65 4.149 -3.358 0.373 1.00 0.00 C ATOM 969 C LEU A 65 5.594 -3.376 -0.075 1.00 0.00 C ATOM 970 O LEU A 65 6.381 -2.489 0.257 1.00 0.00 O ATOM 971 CB LEU A 65 3.468 -2.112 -0.168 1.00 0.00 C ATOM 972 CG LEU A 65 2.168 -2.377 -0.930 1.00 0.00 C ATOM 973 CD1 LEU A 65 1.285 -3.353 -0.170 1.00 0.00 C ATOM 974 CD2 LEU A 65 1.426 -1.077 -1.186 1.00 0.00 C ATOM 0 H LEU A 65 4.175 -2.502 2.273 1.00 0.00 H new ATOM 0 HA LEU A 65 3.657 -4.247 -0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.256 -1.440 0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.162 -1.593 -0.829 1.00 0.00 H new ATOM 0 HG LEU A 65 2.423 -2.825 -1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.367 -3.526 -0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.814 -4.297 -0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.040 -2.937 0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.504 -1.285 -1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.187 -0.601 -0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.053 -0.411 -1.778 1.00 0.00 H new ATOM 986 N THR A 66 5.928 -4.382 -0.856 1.00 0.00 N ATOM 987 CA THR A 66 7.271 -4.501 -1.391 1.00 0.00 C ATOM 988 C THR A 66 7.403 -3.682 -2.661 1.00 0.00 C ATOM 989 O THR A 66 6.410 -3.393 -3.330 1.00 0.00 O ATOM 990 CB THR A 66 7.674 -5.953 -1.682 1.00 0.00 C ATOM 991 OG1 THR A 66 8.892 -5.965 -2.437 1.00 0.00 O ATOM 992 CG2 THR A 66 6.590 -6.696 -2.451 1.00 0.00 C ATOM 0 H THR A 66 5.291 -5.128 -1.135 1.00 0.00 H new ATOM 0 HA THR A 66 7.944 -4.122 -0.622 1.00 0.00 H new ATOM 0 HB THR A 66 7.815 -6.462 -0.729 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.153 -6.891 -2.623 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.913 -7.720 -2.638 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.671 -6.707 -1.865 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.409 -6.194 -3.401 1.00 0.00 H new ATOM 1000 N LEU A 67 8.616 -3.291 -2.995 1.00 0.00 N ATOM 1001 CA LEU A 67 8.832 -2.485 -4.186 1.00 0.00 C ATOM 1002 C LEU A 67 7.959 -2.997 -5.341 1.00 0.00 C ATOM 1003 O LEU A 67 7.452 -2.215 -6.150 1.00 0.00 O ATOM 1004 CB LEU A 67 10.313 -2.511 -4.576 1.00 0.00 C ATOM 1005 CG LEU A 67 10.851 -1.213 -5.180 1.00 0.00 C ATOM 1006 CD1 LEU A 67 12.331 -1.352 -5.508 1.00 0.00 C ATOM 1007 CD2 LEU A 67 10.061 -0.837 -6.423 1.00 0.00 C ATOM 0 H LEU A 67 9.460 -3.513 -2.468 1.00 0.00 H new ATOM 0 HA LEU A 67 8.547 -1.455 -3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.901 -2.752 -3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.470 -3.318 -5.292 1.00 0.00 H new ATOM 0 HG LEU A 67 10.735 -0.416 -4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 67 12.698 -0.419 -5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.886 -1.575 -4.597 1.00 0.00 H new ATOM 0 HD13 LEU A 67 12.470 -2.161 -6.225 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.457 0.089 -6.840 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.146 -1.633 -7.163 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.013 -0.697 -6.159 1.00 0.00 H new ATOM 1019 N ASP A 68 7.761 -4.311 -5.397 1.00 0.00 N ATOM 1020 CA ASP A 68 6.932 -4.916 -6.433 1.00 0.00 C ATOM 1021 C ASP A 68 5.466 -4.496 -6.280 1.00 0.00 C ATOM 1022 O ASP A 68 4.863 -3.939 -7.203 1.00 0.00 O ATOM 1023 CB ASP A 68 7.050 -6.430 -6.347 1.00 0.00 C ATOM 1024 CG ASP A 68 7.614 -7.041 -7.611 1.00 0.00 C ATOM 1025 OD1 ASP A 68 8.053 -6.278 -8.500 1.00 0.00 O ATOM 1026 OD2 ASP A 68 7.627 -8.287 -7.702 1.00 0.00 O ATOM 0 H ASP A 68 8.163 -4.976 -4.737 1.00 0.00 H new ATOM 0 HA ASP A 68 7.281 -4.572 -7.407 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.688 -6.694 -5.504 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.067 -6.857 -6.148 1.00 0.00 H new ATOM 1031 N GLU A 69 4.908 -4.734 -5.098 1.00 0.00 N ATOM 1032 CA GLU A 69 3.527 -4.347 -4.824 1.00 0.00 C ATOM 1033 C GLU A 69 3.381 -2.853 -5.095 1.00 0.00 C ATOM 1034 O GLU A 69 2.364 -2.379 -5.610 1.00 0.00 O ATOM 1035 CB GLU A 69 3.155 -4.672 -3.372 1.00 0.00 C ATOM 1036 CG GLU A 69 3.289 -6.151 -3.028 1.00 0.00 C ATOM 1037 CD GLU A 69 3.088 -6.438 -1.548 1.00 0.00 C ATOM 1038 OE1 GLU A 69 3.877 -5.928 -0.733 1.00 0.00 O ATOM 1039 OE2 GLU A 69 2.158 -7.185 -1.186 1.00 0.00 O ATOM 0 H GLU A 69 5.385 -5.189 -4.320 1.00 0.00 H new ATOM 0 HA GLU A 69 2.851 -4.906 -5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.791 -4.092 -2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.128 -4.356 -3.189 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.560 -6.720 -3.605 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.277 -6.500 -3.329 1.00 0.00 H new ATOM 1046 N PHE A 70 4.443 -2.131 -4.763 1.00 0.00 N ATOM 1047 CA PHE A 70 4.520 -0.690 -4.968 1.00 0.00 C ATOM 1048 C PHE A 70 4.405 -0.349 -6.455 1.00 0.00 C ATOM 1049 O PHE A 70 3.530 0.416 -6.868 1.00 0.00 O ATOM 1050 CB PHE A 70 5.858 -0.197 -4.411 1.00 0.00 C ATOM 1051 CG PHE A 70 6.243 1.190 -4.831 1.00 0.00 C ATOM 1052 CD1 PHE A 70 5.284 2.144 -5.130 1.00 0.00 C ATOM 1053 CD2 PHE A 70 7.581 1.538 -4.911 1.00 0.00 C ATOM 1054 CE1 PHE A 70 5.656 3.422 -5.503 1.00 0.00 C ATOM 1055 CE2 PHE A 70 7.958 2.808 -5.286 1.00 0.00 C ATOM 1056 CZ PHE A 70 6.996 3.753 -5.582 1.00 0.00 C ATOM 0 H PHE A 70 5.281 -2.531 -4.341 1.00 0.00 H new ATOM 0 HA PHE A 70 3.695 -0.199 -4.451 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.818 -0.233 -3.322 1.00 0.00 H new ATOM 0 HB3 PHE A 70 6.642 -0.887 -4.724 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.237 1.887 -5.071 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.338 0.804 -4.676 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.902 4.160 -5.732 1.00 0.00 H new ATOM 0 HE2 PHE A 70 9.005 3.065 -5.349 1.00 0.00 H new ATOM 0 HZ PHE A 70 7.290 4.750 -5.875 1.00 0.00 H new ATOM 1066 N CYS A 71 5.277 -0.941 -7.256 1.00 0.00 N ATOM 1067 CA CYS A 71 5.257 -0.717 -8.695 1.00 0.00 C ATOM 1068 C CYS A 71 3.877 -1.024 -9.268 1.00 0.00 C ATOM 1069 O CYS A 71 3.294 -0.211 -9.989 1.00 0.00 O ATOM 1070 CB CYS A 71 6.311 -1.587 -9.385 1.00 0.00 C ATOM 1071 SG CYS A 71 7.829 -0.711 -9.818 1.00 0.00 S ATOM 0 H CYS A 71 6.006 -1.579 -6.936 1.00 0.00 H new ATOM 0 HA CYS A 71 5.487 0.332 -8.879 1.00 0.00 H new ATOM 0 HB2 CYS A 71 6.561 -2.422 -8.731 1.00 0.00 H new ATOM 0 HB3 CYS A 71 5.879 -2.011 -10.291 1.00 0.00 H new ATOM 0 HG CYS A 71 8.655 -1.533 -10.393 1.00 0.00 H new ATOM 1077 N ALA A 72 3.354 -2.196 -8.941 1.00 0.00 N ATOM 1078 CA ALA A 72 2.041 -2.598 -9.426 1.00 0.00 C ATOM 1079 C ALA A 72 0.951 -1.660 -8.916 1.00 0.00 C ATOM 1080 O ALA A 72 0.065 -1.253 -9.664 1.00 0.00 O ATOM 1081 CB ALA A 72 1.745 -4.029 -9.012 1.00 0.00 C ATOM 0 H ALA A 72 3.815 -2.883 -8.345 1.00 0.00 H new ATOM 0 HA ALA A 72 2.050 -2.539 -10.514 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.761 -4.318 -9.380 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.500 -4.693 -9.433 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.762 -4.104 -7.925 1.00 0.00 H new ATOM 1087 N ALA A 73 1.024 -1.316 -7.637 1.00 0.00 N ATOM 1088 CA ALA A 73 0.039 -0.427 -7.028 1.00 0.00 C ATOM 1089 C ALA A 73 0.059 0.958 -7.670 1.00 0.00 C ATOM 1090 O ALA A 73 -0.973 1.475 -8.091 1.00 0.00 O ATOM 1091 CB ALA A 73 0.292 -0.310 -5.534 1.00 0.00 C ATOM 0 H ALA A 73 1.753 -1.638 -7.001 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.947 -0.860 -7.196 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.449 0.355 -5.091 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.216 -1.295 -5.074 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.290 0.094 -5.365 1.00 0.00 H new ATOM 1097 N PHE A 74 1.237 1.558 -7.738 1.00 0.00 N ATOM 1098 CA PHE A 74 1.372 2.885 -8.321 1.00 0.00 C ATOM 1099 C PHE A 74 0.851 2.900 -9.758 1.00 0.00 C ATOM 1100 O PHE A 74 -0.008 3.711 -10.112 1.00 0.00 O ATOM 1101 CB PHE A 74 2.831 3.336 -8.297 1.00 0.00 C ATOM 1102 CG PHE A 74 2.982 4.806 -8.041 1.00 0.00 C ATOM 1103 CD1 PHE A 74 2.776 5.320 -6.772 1.00 0.00 C ATOM 1104 CD2 PHE A 74 3.312 5.675 -9.069 1.00 0.00 C ATOM 1105 CE1 PHE A 74 2.901 6.673 -6.530 1.00 0.00 C ATOM 1106 CE2 PHE A 74 3.439 7.030 -8.832 1.00 0.00 C ATOM 1107 CZ PHE A 74 3.233 7.529 -7.561 1.00 0.00 C ATOM 0 H PHE A 74 2.109 1.151 -7.399 1.00 0.00 H new ATOM 0 HA PHE A 74 0.777 3.576 -7.724 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.365 2.781 -7.526 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.299 3.088 -9.250 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.515 4.655 -5.962 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.471 5.289 -10.065 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.739 7.062 -5.535 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.699 7.698 -9.640 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.332 8.588 -7.374 1.00 0.00 H new ATOM 1117 N HIS A 75 1.360 1.990 -10.581 1.00 0.00 N ATOM 1118 CA HIS A 75 0.931 1.901 -11.967 1.00 0.00 C ATOM 1119 C HIS A 75 -0.577 1.698 -12.025 1.00 0.00 C ATOM 1120 O HIS A 75 -1.306 2.441 -12.684 1.00 0.00 O ATOM 1121 CB HIS A 75 1.636 0.727 -12.632 1.00 0.00 C ATOM 1122 CG HIS A 75 2.136 1.019 -14.014 1.00 0.00 C ATOM 1123 ND1 HIS A 75 2.952 2.078 -14.330 1.00 0.00 N ATOM 1124 CD2 HIS A 75 1.936 0.348 -15.173 1.00 0.00 C ATOM 1125 CE1 HIS A 75 3.218 2.018 -15.641 1.00 0.00 C ATOM 1126 NE2 HIS A 75 2.624 0.985 -16.197 1.00 0.00 N ATOM 0 H HIS A 75 2.068 1.307 -10.311 1.00 0.00 H new ATOM 0 HA HIS A 75 1.185 2.823 -12.490 1.00 0.00 H new ATOM 0 HB2 HIS A 75 2.477 0.422 -12.009 1.00 0.00 H new ATOM 0 HB3 HIS A 75 0.949 -0.118 -12.676 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.336 -0.543 -15.284 1.00 0.00 H new ATOM 0 HE1 HIS A 75 3.839 2.725 -16.172 1.00 0.00 H new ATOM 0 HE2 HIS A 75 2.661 0.709 -17.178 1.00 0.00 H new ATOM 1134 N LEU A 76 -1.034 0.687 -11.309 1.00 0.00 N ATOM 1135 CA LEU A 76 -2.447 0.374 -11.248 1.00 0.00 C ATOM 1136 C LEU A 76 -3.260 1.619 -10.876 1.00 0.00 C ATOM 1137 O LEU A 76 -4.237 1.969 -11.547 1.00 0.00 O ATOM 1138 CB LEU A 76 -2.661 -0.725 -10.213 1.00 0.00 C ATOM 1139 CG LEU A 76 -3.999 -1.438 -10.291 1.00 0.00 C ATOM 1140 CD1 LEU A 76 -4.032 -2.583 -9.296 1.00 0.00 C ATOM 1141 CD2 LEU A 76 -5.143 -0.469 -10.036 1.00 0.00 C ATOM 0 H LEU A 76 -0.441 0.066 -10.759 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.786 0.032 -12.226 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.867 -1.464 -10.322 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.557 -0.290 -9.219 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.122 -1.842 -11.296 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.995 -3.090 -9.357 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.234 -3.289 -9.527 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.891 -2.193 -8.288 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.092 -1.002 -10.097 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.035 -0.032 -9.043 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.123 0.323 -10.785 1.00 0.00 H new ATOM 1153 N VAL A 77 -2.834 2.292 -9.813 1.00 0.00 N ATOM 1154 CA VAL A 77 -3.499 3.505 -9.359 1.00 0.00 C ATOM 1155 C VAL A 77 -3.599 4.512 -10.499 1.00 0.00 C ATOM 1156 O VAL A 77 -4.643 5.130 -10.718 1.00 0.00 O ATOM 1157 CB VAL A 77 -2.751 4.147 -8.169 1.00 0.00 C ATOM 1158 CG1 VAL A 77 -3.406 5.456 -7.761 1.00 0.00 C ATOM 1159 CG2 VAL A 77 -2.700 3.187 -6.991 1.00 0.00 C ATOM 0 H VAL A 77 -2.030 2.016 -9.250 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.500 3.227 -9.028 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.730 4.362 -8.485 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.862 5.889 -6.922 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.388 6.149 -8.602 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.439 5.270 -7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.170 3.656 -6.162 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.715 2.940 -6.679 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.179 2.276 -7.286 1.00 0.00 H new ATOM 1169 N VAL A 78 -2.507 4.649 -11.236 1.00 0.00 N ATOM 1170 CA VAL A 78 -2.459 5.556 -12.373 1.00 0.00 C ATOM 1171 C VAL A 78 -3.624 5.296 -13.317 1.00 0.00 C ATOM 1172 O VAL A 78 -4.344 6.215 -13.710 1.00 0.00 O ATOM 1173 CB VAL A 78 -1.153 5.373 -13.154 1.00 0.00 C ATOM 1174 CG1 VAL A 78 -1.140 6.245 -14.398 1.00 0.00 C ATOM 1175 CG2 VAL A 78 0.043 5.668 -12.268 1.00 0.00 C ATOM 0 H VAL A 78 -1.639 4.141 -11.066 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.519 6.573 -11.985 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.088 4.334 -13.476 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.203 6.098 -14.936 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.975 5.972 -15.043 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.232 7.292 -14.109 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.961 5.533 -12.839 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.014 6.696 -11.910 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.042 4.987 -11.417 1.00 0.00 H new ATOM 1185 N ALA A 79 -3.810 4.034 -13.668 1.00 0.00 N ATOM 1186 CA ALA A 79 -4.894 3.651 -14.557 1.00 0.00 C ATOM 1187 C ALA A 79 -6.229 4.057 -13.952 1.00 0.00 C ATOM 1188 O ALA A 79 -7.043 4.725 -14.588 1.00 0.00 O ATOM 1189 CB ALA A 79 -4.860 2.152 -14.810 1.00 0.00 C ATOM 0 H ALA A 79 -3.226 3.260 -13.352 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.770 4.166 -15.510 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.677 1.877 -15.477 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.909 1.882 -15.270 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.970 1.621 -13.864 1.00 0.00 H new ATOM 1195 N ARG A 80 -6.447 3.668 -12.703 1.00 0.00 N ATOM 1196 CA ARG A 80 -7.686 4.007 -12.018 1.00 0.00 C ATOM 1197 C ARG A 80 -8.059 5.470 -12.277 1.00 0.00 C ATOM 1198 O ARG A 80 -9.229 5.799 -12.469 1.00 0.00 O ATOM 1199 CB ARG A 80 -7.536 3.755 -10.513 1.00 0.00 C ATOM 1200 CG ARG A 80 -8.815 3.292 -9.822 1.00 0.00 C ATOM 1201 CD ARG A 80 -9.614 4.441 -9.220 1.00 0.00 C ATOM 1202 NE ARG A 80 -10.066 5.389 -10.235 1.00 0.00 N ATOM 1203 CZ ARG A 80 -10.606 6.556 -9.984 1.00 0.00 C ATOM 1204 NH1 ARG A 80 -10.928 6.892 -8.756 1.00 0.00 N ATOM 1205 NH2 ARG A 80 -10.841 7.386 -10.975 1.00 0.00 N ATOM 0 H ARG A 80 -5.788 3.122 -12.148 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.485 3.375 -12.405 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -6.761 3.004 -10.358 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -7.191 4.672 -10.036 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.438 2.761 -10.541 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -8.560 2.582 -9.035 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -10.477 4.042 -8.688 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -9.000 4.963 -8.485 1.00 0.00 H new ATOM 0 HE ARG A 80 -9.953 5.122 -11.213 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -10.758 6.242 -7.988 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -11.348 7.803 -8.570 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -10.603 7.120 -11.931 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -11.261 8.297 -10.789 1.00 0.00 H new ATOM 1219 N LYS A 81 -7.063 6.348 -12.275 1.00 0.00 N ATOM 1220 CA LYS A 81 -7.303 7.775 -12.501 1.00 0.00 C ATOM 1221 C LYS A 81 -7.909 8.058 -13.883 1.00 0.00 C ATOM 1222 O LYS A 81 -8.749 8.946 -14.031 1.00 0.00 O ATOM 1223 CB LYS A 81 -6.003 8.564 -12.350 1.00 0.00 C ATOM 1224 CG LYS A 81 -5.398 8.496 -10.956 1.00 0.00 C ATOM 1225 CD LYS A 81 -4.695 9.800 -10.592 1.00 0.00 C ATOM 1226 CE LYS A 81 -5.664 10.975 -10.592 1.00 0.00 C ATOM 1227 NZ LYS A 81 -5.044 12.214 -10.040 1.00 0.00 N ATOM 0 H LYS A 81 -6.085 6.102 -12.121 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.024 8.093 -11.748 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.276 8.188 -13.070 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.191 9.607 -12.603 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.181 8.287 -10.227 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.687 7.671 -10.906 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.237 9.705 -9.608 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -3.890 9.991 -11.301 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.005 11.163 -11.610 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.545 10.718 -10.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.739 12.988 -10.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.742 12.044 -9.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.219 12.476 -10.616 1.00 0.00 H new ATOM 1241 N ASN A 82 -7.474 7.308 -14.890 1.00 0.00 N ATOM 1242 CA ASN A 82 -7.959 7.488 -16.265 1.00 0.00 C ATOM 1243 C ASN A 82 -7.854 6.193 -17.073 1.00 0.00 C ATOM 1244 O ASN A 82 -7.376 6.189 -18.207 1.00 0.00 O ATOM 1245 CB ASN A 82 -7.166 8.594 -16.972 1.00 0.00 C ATOM 1246 CG ASN A 82 -7.888 9.926 -16.969 1.00 0.00 C ATOM 1247 OD1 ASN A 82 -8.089 10.540 -15.931 1.00 0.00 O ATOM 1248 ND2 ASN A 82 -8.293 10.374 -18.143 1.00 0.00 N ATOM 0 H ASN A 82 -6.783 6.565 -14.785 1.00 0.00 H new ATOM 0 HA ASN A 82 -9.010 7.772 -16.204 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.198 8.709 -16.485 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.971 8.294 -18.001 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -8.792 11.261 -18.206 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -8.106 9.833 -18.987 1.00 0.00 H new ATOM 1255 N GLY A 83 -8.303 5.102 -16.478 1.00 0.00 N ATOM 1256 CA GLY A 83 -8.257 3.814 -17.142 1.00 0.00 C ATOM 1257 C GLY A 83 -9.573 3.069 -17.030 1.00 0.00 C ATOM 1258 O GLY A 83 -10.629 3.622 -17.322 1.00 0.00 O ATOM 0 H GLY A 83 -8.702 5.083 -15.540 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.010 3.957 -18.194 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.461 3.210 -16.707 1.00 0.00 H new ATOM 1262 N TYR A 84 -9.519 1.817 -16.596 1.00 0.00 N ATOM 1263 CA TYR A 84 -10.731 1.022 -16.444 1.00 0.00 C ATOM 1264 C TYR A 84 -10.710 0.224 -15.141 1.00 0.00 C ATOM 1265 O TYR A 84 -9.652 -0.200 -14.672 1.00 0.00 O ATOM 1266 CB TYR A 84 -10.925 0.087 -17.642 1.00 0.00 C ATOM 1267 CG TYR A 84 -10.972 0.812 -18.972 1.00 0.00 C ATOM 1268 CD1 TYR A 84 -12.065 1.599 -19.318 1.00 0.00 C ATOM 1269 CD2 TYR A 84 -9.917 0.723 -19.874 1.00 0.00 C ATOM 1270 CE1 TYR A 84 -12.108 2.273 -20.524 1.00 0.00 C ATOM 1271 CE2 TYR A 84 -9.952 1.398 -21.082 1.00 0.00 C ATOM 1272 CZ TYR A 84 -11.051 2.170 -21.402 1.00 0.00 C ATOM 1273 OH TYR A 84 -11.087 2.846 -22.600 1.00 0.00 O ATOM 0 H TYR A 84 -8.657 1.333 -16.345 1.00 0.00 H new ATOM 0 HA TYR A 84 -11.575 1.711 -16.405 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.113 -0.639 -17.661 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -11.850 -0.473 -17.510 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -12.895 1.685 -18.632 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -9.057 0.118 -19.628 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -12.966 2.878 -20.777 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -9.124 1.321 -21.771 1.00 0.00 H new ATOM 0 HH TYR A 84 -10.264 2.667 -23.101 1.00 0.00 H new ATOM 1283 N ASP A 85 -11.889 0.050 -14.556 1.00 0.00 N ATOM 1284 CA ASP A 85 -12.035 -0.671 -13.297 1.00 0.00 C ATOM 1285 C ASP A 85 -11.298 -2.016 -13.327 1.00 0.00 C ATOM 1286 O ASP A 85 -11.084 -2.601 -14.389 1.00 0.00 O ATOM 1287 CB ASP A 85 -13.517 -0.872 -12.986 1.00 0.00 C ATOM 1288 CG ASP A 85 -13.922 -0.176 -11.702 1.00 0.00 C ATOM 1289 OD1 ASP A 85 -13.763 1.059 -11.626 1.00 0.00 O ATOM 1290 OD2 ASP A 85 -14.394 -0.863 -10.776 1.00 0.00 O ATOM 0 H ASP A 85 -12.767 0.402 -14.938 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.582 -0.073 -12.506 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -14.117 -0.489 -13.812 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -13.730 -1.938 -12.905 1.00 0.00 H new ATOM 1295 N LEU A 86 -10.900 -2.486 -12.150 1.00 0.00 N ATOM 1296 CA LEU A 86 -10.163 -3.746 -12.014 1.00 0.00 C ATOM 1297 C LEU A 86 -11.096 -4.966 -11.974 1.00 0.00 C ATOM 1298 O LEU A 86 -12.239 -4.877 -11.537 1.00 0.00 O ATOM 1299 CB LEU A 86 -9.293 -3.724 -10.754 1.00 0.00 C ATOM 1300 CG LEU A 86 -8.305 -2.556 -10.649 1.00 0.00 C ATOM 1301 CD1 LEU A 86 -8.983 -1.297 -10.124 1.00 0.00 C ATOM 1302 CD2 LEU A 86 -7.137 -2.935 -9.759 1.00 0.00 C ATOM 0 H LEU A 86 -11.076 -2.010 -11.265 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.530 -3.839 -12.897 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.948 -3.701 -9.883 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.731 -4.657 -10.706 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.934 -2.341 -11.651 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.253 -0.490 -10.062 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.788 -1.008 -10.800 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.394 -1.491 -9.133 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.443 -2.097 -9.693 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.504 -3.182 -8.763 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.623 -3.799 -10.181 1.00 0.00 H new ATOM 1314 N PRO A 87 -10.602 -6.132 -12.426 1.00 0.00 N ATOM 1315 CA PRO A 87 -11.380 -7.380 -12.443 1.00 0.00 C ATOM 1316 C PRO A 87 -11.424 -8.085 -11.078 1.00 0.00 C ATOM 1317 O PRO A 87 -11.185 -9.291 -10.984 1.00 0.00 O ATOM 1318 CB PRO A 87 -10.615 -8.226 -13.460 1.00 0.00 C ATOM 1319 CG PRO A 87 -9.197 -7.795 -13.306 1.00 0.00 C ATOM 1320 CD PRO A 87 -9.236 -6.330 -12.949 1.00 0.00 C ATOM 0 HA PRO A 87 -12.428 -7.209 -12.688 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -10.731 -9.291 -13.259 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -10.976 -8.052 -14.474 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -8.698 -8.372 -12.527 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -8.639 -7.956 -14.229 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.482 -6.080 -12.203 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -9.045 -5.701 -13.819 1.00 0.00 H new ATOM 1328 N GLU A 88 -11.737 -7.319 -10.035 1.00 0.00 N ATOM 1329 CA GLU A 88 -11.829 -7.831 -8.655 1.00 0.00 C ATOM 1330 C GLU A 88 -11.286 -9.260 -8.483 1.00 0.00 C ATOM 1331 O GLU A 88 -12.023 -10.167 -8.100 1.00 0.00 O ATOM 1332 CB GLU A 88 -13.277 -7.784 -8.168 1.00 0.00 C ATOM 1333 CG GLU A 88 -13.881 -6.390 -8.171 1.00 0.00 C ATOM 1334 CD GLU A 88 -15.307 -6.381 -7.660 1.00 0.00 C ATOM 1335 OE1 GLU A 88 -16.137 -7.135 -8.210 1.00 0.00 O ATOM 1336 OE2 GLU A 88 -15.589 -5.629 -6.703 1.00 0.00 O ATOM 0 H GLU A 88 -11.936 -6.322 -10.116 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.197 -7.176 -8.055 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.884 -8.434 -8.799 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.323 -8.188 -7.157 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -13.272 -5.731 -7.553 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -13.858 -5.988 -9.184 1.00 0.00 H new ATOM 1343 N LYS A 89 -9.998 -9.465 -8.741 1.00 0.00 N ATOM 1344 CA LYS A 89 -9.401 -10.793 -8.581 1.00 0.00 C ATOM 1345 C LYS A 89 -9.609 -11.333 -7.166 1.00 0.00 C ATOM 1346 O LYS A 89 -10.091 -12.448 -6.982 1.00 0.00 O ATOM 1347 CB LYS A 89 -7.908 -10.754 -8.905 1.00 0.00 C ATOM 1348 CG LYS A 89 -7.604 -11.147 -10.335 1.00 0.00 C ATOM 1349 CD LYS A 89 -8.364 -10.280 -11.321 1.00 0.00 C ATOM 1350 CE LYS A 89 -8.764 -11.082 -12.544 1.00 0.00 C ATOM 1351 NZ LYS A 89 -9.660 -12.214 -12.176 1.00 0.00 N ATOM 0 H LYS A 89 -9.352 -8.742 -9.058 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.902 -11.463 -9.280 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.528 -9.749 -8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.377 -11.424 -8.229 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.533 -11.057 -10.519 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.867 -12.193 -10.490 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.253 -9.870 -10.842 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.745 -9.434 -11.621 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.269 -10.432 -13.259 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.872 -11.467 -13.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.313 -12.409 -12.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.088 -13.061 -11.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.205 -11.963 -11.326 1.00 0.00 H new ATOM 1365 N LEU A 90 -9.249 -10.534 -6.175 1.00 0.00 N ATOM 1366 CA LEU A 90 -9.409 -10.929 -4.781 1.00 0.00 C ATOM 1367 C LEU A 90 -10.889 -10.869 -4.386 1.00 0.00 C ATOM 1368 O LEU A 90 -11.510 -9.808 -4.424 1.00 0.00 O ATOM 1369 CB LEU A 90 -8.557 -10.015 -3.897 1.00 0.00 C ATOM 1370 CG LEU A 90 -8.258 -10.542 -2.494 1.00 0.00 C ATOM 1371 CD1 LEU A 90 -6.935 -9.989 -1.996 1.00 0.00 C ATOM 1372 CD2 LEU A 90 -9.370 -10.163 -1.533 1.00 0.00 C ATOM 0 H LEU A 90 -8.844 -9.607 -6.308 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.070 -11.956 -4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.611 -9.828 -4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -9.064 -9.054 -3.804 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.194 -11.629 -2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.734 -10.372 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.135 -10.297 -2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.984 -8.901 -1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.139 -10.547 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.460 -9.078 -1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.311 -10.592 -1.878 1.00 0.00 H new ATOM 1384 N PRO A 91 -11.486 -12.020 -4.038 1.00 0.00 N ATOM 1385 CA PRO A 91 -12.908 -12.099 -3.680 1.00 0.00 C ATOM 1386 C PRO A 91 -13.213 -11.731 -2.224 1.00 0.00 C ATOM 1387 O PRO A 91 -12.895 -12.479 -1.298 1.00 0.00 O ATOM 1388 CB PRO A 91 -13.223 -13.569 -3.930 1.00 0.00 C ATOM 1389 CG PRO A 91 -11.948 -14.279 -3.621 1.00 0.00 C ATOM 1390 CD PRO A 91 -10.834 -13.340 -4.003 1.00 0.00 C ATOM 0 HA PRO A 91 -13.504 -11.389 -4.254 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.036 -13.915 -3.292 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.533 -13.739 -4.961 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -11.893 -14.536 -2.563 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -11.878 -15.212 -4.180 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -10.022 -13.366 -3.277 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -10.405 -13.600 -4.971 1.00 0.00 H new ATOM 1398 N GLU A 92 -13.864 -10.588 -2.029 1.00 0.00 N ATOM 1399 CA GLU A 92 -14.234 -10.145 -0.685 1.00 0.00 C ATOM 1400 C GLU A 92 -15.049 -11.212 0.038 1.00 0.00 C ATOM 1401 O GLU A 92 -14.940 -11.383 1.251 1.00 0.00 O ATOM 1402 CB GLU A 92 -15.066 -8.865 -0.745 1.00 0.00 C ATOM 1403 CG GLU A 92 -15.656 -8.470 0.603 1.00 0.00 C ATOM 1404 CD GLU A 92 -16.734 -7.410 0.483 1.00 0.00 C ATOM 1405 OE1 GLU A 92 -17.178 -7.141 -0.653 1.00 0.00 O ATOM 1406 OE2 GLU A 92 -17.148 -6.862 1.528 1.00 0.00 O ATOM 0 H GLU A 92 -14.145 -9.954 -2.777 1.00 0.00 H new ATOM 0 HA GLU A 92 -13.307 -9.960 -0.142 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.442 -8.051 -1.114 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -15.875 -8.998 -1.464 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.074 -9.354 1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -14.860 -8.101 1.249 1.00 0.00 H new ATOM 1413 N SER A 93 -15.889 -11.910 -0.709 1.00 0.00 N ATOM 1414 CA SER A 93 -16.749 -12.931 -0.127 1.00 0.00 C ATOM 1415 C SER A 93 -16.142 -14.325 -0.256 1.00 0.00 C ATOM 1416 O SER A 93 -16.858 -15.325 -0.262 1.00 0.00 O ATOM 1417 CB SER A 93 -18.114 -12.905 -0.808 1.00 0.00 C ATOM 1418 OG SER A 93 -17.997 -13.229 -2.183 1.00 0.00 O ATOM 0 H SER A 93 -15.995 -11.790 -1.716 1.00 0.00 H new ATOM 0 HA SER A 93 -16.856 -12.708 0.935 1.00 0.00 H new ATOM 0 HB2 SER A 93 -18.783 -13.613 -0.319 1.00 0.00 H new ATOM 0 HB3 SER A 93 -18.561 -11.917 -0.699 1.00 0.00 H new ATOM 0 HG SER A 93 -18.883 -13.208 -2.601 1.00 0.00 H new ATOM 1424 N LEU A 94 -14.818 -14.387 -0.326 1.00 0.00 N ATOM 1425 CA LEU A 94 -14.120 -15.666 -0.412 1.00 0.00 C ATOM 1426 C LEU A 94 -12.832 -15.632 0.413 1.00 0.00 C ATOM 1427 O LEU A 94 -11.864 -16.326 0.114 1.00 0.00 O ATOM 1428 CB LEU A 94 -13.825 -16.039 -1.866 1.00 0.00 C ATOM 1429 CG LEU A 94 -15.050 -16.445 -2.691 1.00 0.00 C ATOM 1430 CD1 LEU A 94 -14.635 -16.926 -4.073 1.00 0.00 C ATOM 1431 CD2 LEU A 94 -15.841 -17.526 -1.970 1.00 0.00 C ATOM 0 H LEU A 94 -14.207 -13.570 -0.325 1.00 0.00 H new ATOM 0 HA LEU A 94 -14.773 -16.434 0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -13.343 -15.191 -2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.110 -16.861 -1.877 1.00 0.00 H new ATOM 0 HG LEU A 94 -15.686 -15.568 -2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -15.521 -17.209 -4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.110 -16.126 -4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.976 -17.789 -3.975 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -16.708 -17.803 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -15.208 -18.401 -1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -16.174 -17.149 -1.003 1.00 0.00 H new ATOM 1443 N MET A 95 -12.843 -14.817 1.462 1.00 0.00 N ATOM 1444 CA MET A 95 -11.702 -14.669 2.357 1.00 0.00 C ATOM 1445 C MET A 95 -12.041 -13.771 3.549 1.00 0.00 C ATOM 1446 O MET A 95 -12.588 -12.683 3.387 1.00 0.00 O ATOM 1447 CB MET A 95 -10.501 -14.127 1.597 1.00 0.00 C ATOM 1448 CG MET A 95 -9.267 -15.007 1.735 1.00 0.00 C ATOM 1449 SD MET A 95 -8.213 -15.003 0.272 1.00 0.00 S ATOM 1450 CE MET A 95 -9.085 -16.180 -0.762 1.00 0.00 C ATOM 0 H MET A 95 -13.645 -14.240 1.716 1.00 0.00 H new ATOM 0 HA MET A 95 -11.451 -15.654 2.749 1.00 0.00 H new ATOM 0 HB2 MET A 95 -10.758 -14.032 0.542 1.00 0.00 H new ATOM 0 HB3 MET A 95 -10.269 -13.126 1.960 1.00 0.00 H new ATOM 0 HG2 MET A 95 -8.685 -14.671 2.593 1.00 0.00 H new ATOM 0 HG3 MET A 95 -9.581 -16.030 1.944 1.00 0.00 H new ATOM 0 HE1 MET A 95 -8.396 -16.601 -1.495 1.00 0.00 H new ATOM 0 HE2 MET A 95 -9.488 -16.981 -0.142 1.00 0.00 H new ATOM 0 HE3 MET A 95 -9.901 -15.675 -1.279 1.00 0.00 H new ATOM 1460 N PRO A 96 -11.739 -14.238 4.769 1.00 0.00 N ATOM 1461 CA PRO A 96 -12.029 -13.492 5.998 1.00 0.00 C ATOM 1462 C PRO A 96 -11.014 -12.384 6.299 1.00 0.00 C ATOM 1463 O PRO A 96 -10.337 -11.880 5.403 1.00 0.00 O ATOM 1464 CB PRO A 96 -11.966 -14.582 7.067 1.00 0.00 C ATOM 1465 CG PRO A 96 -10.972 -15.560 6.545 1.00 0.00 C ATOM 1466 CD PRO A 96 -11.110 -15.542 5.046 1.00 0.00 C ATOM 0 HA PRO A 96 -12.981 -12.965 5.937 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -11.655 -14.176 8.030 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -12.940 -15.048 7.217 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -9.961 -15.285 6.846 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -11.163 -16.557 6.941 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -10.142 -15.632 4.554 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -11.727 -16.368 4.691 1.00 0.00 H new ATOM 1474 N LYS A 97 -10.919 -12.010 7.573 1.00 0.00 N ATOM 1475 CA LYS A 97 -9.995 -10.963 8.003 1.00 0.00 C ATOM 1476 C LYS A 97 -8.959 -11.506 8.987 1.00 0.00 C ATOM 1477 O LYS A 97 -9.224 -12.568 9.596 1.00 0.00 O ATOM 1478 CB LYS A 97 -10.773 -9.834 8.666 1.00 0.00 C ATOM 1479 CG LYS A 97 -12.054 -9.486 7.937 1.00 0.00 C ATOM 1480 CD LYS A 97 -12.700 -8.235 8.507 1.00 0.00 C ATOM 1481 CE LYS A 97 -11.734 -7.063 8.532 1.00 0.00 C ATOM 1482 NZ LYS A 97 -12.435 -5.793 8.857 1.00 0.00 N ATOM 1483 OXT LYS A 97 -7.902 -10.860 9.149 1.00 0.00 O ATOM 0 H LYS A 97 -11.472 -12.417 8.327 1.00 0.00 H new ATOM 0 HA LYS A 97 -9.472 -10.592 7.122 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -11.011 -10.118 9.691 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.141 -8.948 8.720 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.842 -9.336 6.878 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.752 -10.321 8.007 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.574 -7.973 7.911 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.053 -8.437 9.518 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.953 -7.249 9.269 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -11.243 -6.972 7.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.750 -5.011 8.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -13.164 -5.606 8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.882 -5.873 9.792 1.00 0.00 H new TER 1497 LYS A 97 HETATM 1498 CA CA A 100 2.767 -7.503 0.880 1.00 0.00 CA