USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 741 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 62 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 65 LYS NZ :NH3+ 172:sc= -0.907 (180deg=-0.988) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.111 (180deg=0) USER MOD Single : A 2 SER OG : rot -55:sc= 0.571 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0377 USER MOD Single : A 16 LYS NZ :NH3+ -162:sc= -0.03 (180deg=-0.269) USER MOD Single : A 18 CYS SG : rot -53:sc= -3.94 USER MOD Single : A 22 MET CE :methyl -163:sc= -16! (180deg=-17.9!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 1.17 K(o=1.2,f=-0.17) USER MOD Single : A 29 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.7!) USER MOD Single : A 30 GLN : amide:sc= -7.2! C(o=-7.2!,f=-12!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -121:sc= 0.00186 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.531! X(o=-0.53!,f=-0.81) USER MOD Single : A 44 CYS SG : rot 180:sc= -2.4 USER MOD Single : A 45 ASN : amide:sc= -1.25 K(o=-1.2,f=-9.7!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0706 K(o=-0.071,f=-0.64) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 162:sc= -0.0105 (180deg=-0.227) USER MOD Single : A 82 ASN : amide:sc= -0.0911 K(o=-0.091,f=-1.9!) USER MOD Single : A 89 SER OG : rot 122:sc= 0.3 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.974 -15.874 21.472 1.00 0.00 N ATOM 2 CA GLY A 1 -5.145 -15.337 22.536 1.00 0.00 C ATOM 3 C GLY A 1 -3.848 -14.748 22.019 1.00 0.00 C ATOM 4 O GLY A 1 -3.528 -14.875 20.837 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.868 -15.344 21.427 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.474 -15.786 20.564 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.175 -16.877 21.661 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.701 -14.568 23.073 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.921 -16.128 23.252 1.00 0.00 H new ATOM 8 N SER A 2 -3.098 -14.101 22.906 1.00 0.00 N ATOM 9 CA SER A 2 -1.830 -13.486 22.532 1.00 0.00 C ATOM 10 C SER A 2 -2.051 -12.344 21.544 1.00 0.00 C ATOM 11 O SER A 2 -1.308 -12.195 20.574 1.00 0.00 O ATOM 12 CB SER A 2 -0.893 -14.530 21.921 1.00 0.00 C ATOM 13 OG SER A 2 0.390 -13.981 21.674 1.00 0.00 O ATOM 0 H SER A 2 -3.347 -13.989 23.889 1.00 0.00 H new ATOM 0 HA SER A 2 -1.371 -13.080 23.434 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.804 -15.382 22.595 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.318 -14.904 20.989 1.00 0.00 H new ATOM 0 HG SER A 2 0.301 -13.178 21.119 1.00 0.00 H new ATOM 19 N SER A 3 -3.079 -11.540 21.799 1.00 0.00 N ATOM 20 CA SER A 3 -3.401 -10.414 20.930 1.00 0.00 C ATOM 21 C SER A 3 -2.381 -9.292 21.095 1.00 0.00 C ATOM 22 O SER A 3 -1.984 -8.957 22.210 1.00 0.00 O ATOM 23 CB SER A 3 -4.806 -9.891 21.239 1.00 0.00 C ATOM 24 OG SER A 3 -4.910 -9.475 22.590 1.00 0.00 O ATOM 0 H SER A 3 -3.702 -11.647 22.599 1.00 0.00 H new ATOM 0 HA SER A 3 -3.369 -10.762 19.897 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.040 -9.056 20.579 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.540 -10.671 21.038 1.00 0.00 H new ATOM 0 HG SER A 3 -5.816 -9.144 22.761 1.00 0.00 H new ATOM 30 N GLY A 4 -1.960 -8.714 19.974 1.00 0.00 N ATOM 31 CA GLY A 4 -0.989 -7.636 20.014 1.00 0.00 C ATOM 32 C GLY A 4 0.016 -7.718 18.883 1.00 0.00 C ATOM 33 O GLY A 4 -0.164 -8.486 17.938 1.00 0.00 O ATOM 0 H GLY A 4 -2.274 -8.973 19.039 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.510 -6.680 19.964 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.461 -7.662 20.967 1.00 0.00 H new ATOM 37 N SER A 5 1.077 -6.924 18.977 1.00 0.00 N ATOM 38 CA SER A 5 2.112 -6.906 17.950 1.00 0.00 C ATOM 39 C SER A 5 1.501 -6.714 16.565 1.00 0.00 C ATOM 40 O SER A 5 1.905 -7.364 15.601 1.00 0.00 O ATOM 41 CB SER A 5 2.921 -8.204 17.988 1.00 0.00 C ATOM 42 OG SER A 5 3.777 -8.239 19.116 1.00 0.00 O ATOM 0 H SER A 5 1.243 -6.284 19.754 1.00 0.00 H new ATOM 0 HA SER A 5 2.776 -6.066 18.154 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.244 -9.058 18.015 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.512 -8.295 17.076 1.00 0.00 H new ATOM 0 HG SER A 5 4.281 -9.079 19.118 1.00 0.00 H new ATOM 48 N SER A 6 0.524 -5.817 16.476 1.00 0.00 N ATOM 49 CA SER A 6 -0.147 -5.541 15.211 1.00 0.00 C ATOM 50 C SER A 6 0.773 -4.779 14.262 1.00 0.00 C ATOM 51 O SER A 6 1.788 -4.221 14.679 1.00 0.00 O ATOM 52 CB SER A 6 -1.427 -4.739 15.452 1.00 0.00 C ATOM 53 OG SER A 6 -1.140 -3.363 15.632 1.00 0.00 O ATOM 0 H SER A 6 0.180 -5.269 17.265 1.00 0.00 H new ATOM 0 HA SER A 6 -0.406 -6.495 14.751 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.104 -4.865 14.607 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.941 -5.125 16.332 1.00 0.00 H new ATOM 0 HG SER A 6 -1.974 -2.872 15.783 1.00 0.00 H new ATOM 59 N GLY A 7 0.411 -4.761 12.983 1.00 0.00 N ATOM 60 CA GLY A 7 1.214 -4.065 11.995 1.00 0.00 C ATOM 61 C GLY A 7 1.626 -4.964 10.846 1.00 0.00 C ATOM 62 O GLY A 7 0.817 -5.737 10.332 1.00 0.00 O ATOM 0 H GLY A 7 -0.424 -5.216 12.614 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.651 -3.217 11.605 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.106 -3.662 12.475 1.00 0.00 H new ATOM 66 N ARG A 8 2.888 -4.862 10.440 1.00 0.00 N ATOM 67 CA ARG A 8 3.405 -5.670 9.343 1.00 0.00 C ATOM 68 C ARG A 8 4.731 -6.322 9.726 1.00 0.00 C ATOM 69 O ARG A 8 5.372 -6.977 8.905 1.00 0.00 O ATOM 70 CB ARG A 8 3.590 -4.810 8.091 1.00 0.00 C ATOM 71 CG ARG A 8 4.569 -3.663 8.280 1.00 0.00 C ATOM 72 CD ARG A 8 3.871 -2.415 8.797 1.00 0.00 C ATOM 73 NE ARG A 8 4.795 -1.513 9.479 1.00 0.00 N ATOM 74 CZ ARG A 8 4.405 -0.483 10.221 1.00 0.00 C ATOM 75 NH1 ARG A 8 3.113 -0.225 10.375 1.00 0.00 N ATOM 76 NH2 ARG A 8 5.306 0.292 10.810 1.00 0.00 N ATOM 0 H ARG A 8 3.571 -4.228 10.855 1.00 0.00 H new ATOM 0 HA ARG A 8 2.681 -6.457 9.131 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.938 -5.442 7.274 1.00 0.00 H new ATOM 0 HB3 ARG A 8 2.623 -4.406 7.792 1.00 0.00 H new ATOM 0 HG2 ARG A 8 5.350 -3.961 8.980 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.059 -3.441 7.332 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.402 -1.891 7.964 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.074 -2.703 9.482 1.00 0.00 H new ATOM 0 HE ARG A 8 5.796 -1.684 9.380 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.417 -0.818 9.923 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.815 0.567 10.945 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.300 0.097 10.693 1.00 0.00 H new ATOM 0 HH22 ARG A 8 5.004 1.083 11.379 1.00 0.00 H new ATOM 90 N GLY A 9 5.136 -6.136 10.979 1.00 0.00 N ATOM 91 CA GLY A 9 6.383 -6.712 11.448 1.00 0.00 C ATOM 92 C GLY A 9 7.574 -6.264 10.625 1.00 0.00 C ATOM 93 O GLY A 9 8.092 -5.164 10.817 1.00 0.00 O ATOM 0 H GLY A 9 4.623 -5.597 11.677 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.540 -6.433 12.490 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.312 -7.799 11.417 1.00 0.00 H new ATOM 97 N SER A 10 8.011 -7.119 9.705 1.00 0.00 N ATOM 98 CA SER A 10 9.152 -6.809 8.853 1.00 0.00 C ATOM 99 C SER A 10 8.901 -7.268 7.420 1.00 0.00 C ATOM 100 O SER A 10 8.054 -8.125 7.171 1.00 0.00 O ATOM 101 CB SER A 10 10.419 -7.472 9.399 1.00 0.00 C ATOM 102 OG SER A 10 10.619 -7.143 10.763 1.00 0.00 O ATOM 0 H SER A 10 7.591 -8.032 9.531 1.00 0.00 H new ATOM 0 HA SER A 10 9.289 -5.728 8.851 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.343 -8.554 9.290 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.282 -7.152 8.814 1.00 0.00 H new ATOM 0 HG SER A 10 11.434 -7.580 11.089 1.00 0.00 H new ATOM 108 N ARG A 11 9.645 -6.691 6.482 1.00 0.00 N ATOM 109 CA ARG A 11 9.503 -7.039 5.073 1.00 0.00 C ATOM 110 C ARG A 11 10.705 -7.844 4.589 1.00 0.00 C ATOM 111 O ARG A 11 11.821 -7.671 5.079 1.00 0.00 O ATOM 112 CB ARG A 11 9.348 -5.774 4.226 1.00 0.00 C ATOM 113 CG ARG A 11 10.535 -4.829 4.321 1.00 0.00 C ATOM 114 CD ARG A 11 10.145 -3.406 3.952 1.00 0.00 C ATOM 115 NE ARG A 11 11.287 -2.497 3.993 1.00 0.00 N ATOM 116 CZ ARG A 11 12.201 -2.422 3.033 1.00 0.00 C ATOM 117 NH1 ARG A 11 12.107 -3.197 1.961 1.00 0.00 N ATOM 118 NH2 ARG A 11 13.212 -1.569 3.142 1.00 0.00 N ATOM 0 H ARG A 11 10.352 -5.981 6.672 1.00 0.00 H new ATOM 0 HA ARG A 11 8.609 -7.652 4.964 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.204 -6.060 3.184 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.447 -5.245 4.539 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.935 -4.847 5.335 1.00 0.00 H new ATOM 0 HG3 ARG A 11 11.329 -5.173 3.659 1.00 0.00 H new ATOM 0 HD2 ARG A 11 9.710 -3.397 2.952 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.375 -3.052 4.638 1.00 0.00 H new ATOM 0 HE ARG A 11 11.388 -1.886 4.804 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.331 -3.853 1.872 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.811 -3.137 1.225 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.288 -0.970 3.964 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.913 -1.513 2.404 1.00 0.00 H new ATOM 132 N PHE A 12 10.469 -8.726 3.623 1.00 0.00 N ATOM 133 CA PHE A 12 11.532 -9.560 3.073 1.00 0.00 C ATOM 134 C PHE A 12 11.456 -9.602 1.549 1.00 0.00 C ATOM 135 O PHE A 12 10.476 -10.079 0.977 1.00 0.00 O ATOM 136 CB PHE A 12 11.440 -10.979 3.638 1.00 0.00 C ATOM 137 CG PHE A 12 10.579 -11.897 2.818 1.00 0.00 C ATOM 138 CD1 PHE A 12 9.207 -11.934 3.006 1.00 0.00 C ATOM 139 CD2 PHE A 12 11.142 -12.722 1.858 1.00 0.00 C ATOM 140 CE1 PHE A 12 8.413 -12.778 2.253 1.00 0.00 C ATOM 141 CE2 PHE A 12 10.354 -13.568 1.102 1.00 0.00 C ATOM 142 CZ PHE A 12 8.987 -13.595 1.299 1.00 0.00 C ATOM 0 H PHE A 12 9.552 -8.882 3.205 1.00 0.00 H new ATOM 0 HA PHE A 12 12.488 -9.123 3.360 1.00 0.00 H new ATOM 0 HB2 PHE A 12 12.443 -11.400 3.706 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.044 -10.932 4.652 1.00 0.00 H new ATOM 0 HD1 PHE A 12 8.753 -11.296 3.750 1.00 0.00 H new ATOM 0 HD2 PHE A 12 12.210 -12.704 1.699 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.345 -12.799 2.410 1.00 0.00 H new ATOM 0 HE2 PHE A 12 10.806 -14.207 0.358 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.368 -14.254 0.708 1.00 0.00 H new ATOM 152 N THR A 13 12.500 -9.098 0.897 1.00 0.00 N ATOM 153 CA THR A 13 12.553 -9.076 -0.559 1.00 0.00 C ATOM 154 C THR A 13 11.857 -10.295 -1.153 1.00 0.00 C ATOM 155 O THR A 13 12.014 -11.412 -0.661 1.00 0.00 O ATOM 156 CB THR A 13 14.006 -9.030 -1.068 1.00 0.00 C ATOM 157 OG1 THR A 13 14.784 -8.151 -0.248 1.00 0.00 O ATOM 158 CG2 THR A 13 14.058 -8.562 -2.514 1.00 0.00 C ATOM 0 H THR A 13 13.320 -8.700 1.355 1.00 0.00 H new ATOM 0 HA THR A 13 12.035 -8.173 -0.880 1.00 0.00 H new ATOM 0 HB THR A 13 14.419 -10.037 -1.014 1.00 0.00 H new ATOM 0 HG1 THR A 13 15.707 -8.128 -0.577 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.094 -8.538 -2.851 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.489 -9.249 -3.140 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.628 -7.563 -2.589 1.00 0.00 H new ATOM 166 N TRP A 14 11.089 -10.073 -2.214 1.00 0.00 N ATOM 167 CA TRP A 14 10.369 -11.155 -2.876 1.00 0.00 C ATOM 168 C TRP A 14 10.954 -11.434 -4.255 1.00 0.00 C ATOM 169 O TRP A 14 11.633 -10.586 -4.835 1.00 0.00 O ATOM 170 CB TRP A 14 8.884 -10.807 -2.999 1.00 0.00 C ATOM 171 CG TRP A 14 8.097 -11.118 -1.762 1.00 0.00 C ATOM 172 CD1 TRP A 14 7.858 -10.280 -0.711 1.00 0.00 C ATOM 173 CD2 TRP A 14 7.447 -12.354 -1.448 1.00 0.00 C ATOM 174 NE1 TRP A 14 7.098 -10.921 0.238 1.00 0.00 N ATOM 175 CE2 TRP A 14 6.832 -12.194 -0.191 1.00 0.00 C ATOM 176 CE3 TRP A 14 7.322 -13.580 -2.108 1.00 0.00 C ATOM 177 CZ2 TRP A 14 6.107 -13.215 0.418 1.00 0.00 C ATOM 178 CZ3 TRP A 14 6.602 -14.592 -1.502 1.00 0.00 C ATOM 179 CH2 TRP A 14 6.001 -14.405 -0.250 1.00 0.00 C ATOM 0 H TRP A 14 10.949 -9.154 -2.634 1.00 0.00 H new ATOM 0 HA TRP A 14 10.475 -12.054 -2.268 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.784 -9.746 -3.227 1.00 0.00 H new ATOM 0 HB3 TRP A 14 8.458 -11.355 -3.839 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.214 -9.263 -0.636 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.783 -10.514 1.119 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.780 -13.733 -3.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.645 -13.073 1.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 6.501 -15.544 -2.002 1.00 0.00 H new ATOM 0 HH2 TRP A 14 5.444 -15.215 0.196 1.00 0.00 H new ATOM 190 N ARG A 15 10.688 -12.627 -4.776 1.00 0.00 N ATOM 191 CA ARG A 15 11.190 -13.018 -6.088 1.00 0.00 C ATOM 192 C ARG A 15 10.079 -12.965 -7.133 1.00 0.00 C ATOM 193 O ARG A 15 8.910 -13.196 -6.825 1.00 0.00 O ATOM 194 CB ARG A 15 11.785 -14.426 -6.032 1.00 0.00 C ATOM 195 CG ARG A 15 12.959 -14.553 -5.075 1.00 0.00 C ATOM 196 CD ARG A 15 14.279 -14.266 -5.772 1.00 0.00 C ATOM 197 NE ARG A 15 15.361 -14.030 -4.819 1.00 0.00 N ATOM 198 CZ ARG A 15 15.472 -12.924 -4.092 1.00 0.00 C ATOM 199 NH1 ARG A 15 14.571 -11.958 -4.207 1.00 0.00 N ATOM 200 NH2 ARG A 15 16.484 -12.783 -3.246 1.00 0.00 N ATOM 0 H ARG A 15 10.127 -13.340 -4.310 1.00 0.00 H new ATOM 0 HA ARG A 15 11.970 -12.313 -6.375 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.007 -15.129 -5.734 1.00 0.00 H new ATOM 0 HB3 ARG A 15 12.109 -14.714 -7.032 1.00 0.00 H new ATOM 0 HG2 ARG A 15 12.828 -13.861 -4.243 1.00 0.00 H new ATOM 0 HG3 ARG A 15 12.980 -15.558 -4.654 1.00 0.00 H new ATOM 0 HD2 ARG A 15 14.539 -15.106 -6.415 1.00 0.00 H new ATOM 0 HD3 ARG A 15 14.167 -13.394 -6.416 1.00 0.00 H new ATOM 0 HE ARG A 15 16.070 -14.754 -4.706 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.790 -12.063 -4.855 1.00 0.00 H new ATOM 0 HH12 ARG A 15 14.659 -11.110 -3.647 1.00 0.00 H new ATOM 0 HH21 ARG A 15 17.178 -13.525 -3.153 1.00 0.00 H new ATOM 0 HH22 ARG A 15 16.568 -11.933 -2.688 1.00 0.00 H new ATOM 214 N LYS A 16 10.453 -12.658 -8.371 1.00 0.00 N ATOM 215 CA LYS A 16 9.490 -12.575 -9.463 1.00 0.00 C ATOM 216 C LYS A 16 8.709 -13.878 -9.600 1.00 0.00 C ATOM 217 O LYS A 16 7.535 -13.872 -9.966 1.00 0.00 O ATOM 218 CB LYS A 16 10.205 -12.255 -10.777 1.00 0.00 C ATOM 219 CG LYS A 16 10.752 -10.840 -10.843 1.00 0.00 C ATOM 220 CD LYS A 16 9.664 -9.836 -11.185 1.00 0.00 C ATOM 221 CE LYS A 16 9.390 -9.799 -12.681 1.00 0.00 C ATOM 222 NZ LYS A 16 10.519 -9.191 -13.436 1.00 0.00 N ATOM 0 H LYS A 16 11.416 -12.463 -8.643 1.00 0.00 H new ATOM 0 HA LYS A 16 8.787 -11.774 -9.235 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.025 -12.959 -10.915 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.512 -12.406 -11.604 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.202 -10.578 -9.885 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.543 -10.789 -11.591 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.749 -10.094 -10.653 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.962 -8.845 -10.844 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.214 -10.812 -13.043 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.479 -9.231 -12.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.191 -8.904 -14.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.870 -8.357 -12.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.286 -9.886 -13.533 1.00 0.00 H new ATOM 236 N GLU A 17 9.370 -14.993 -9.303 1.00 0.00 N ATOM 237 CA GLU A 17 8.736 -16.303 -9.394 1.00 0.00 C ATOM 238 C GLU A 17 7.685 -16.475 -8.301 1.00 0.00 C ATOM 239 O GLU A 17 6.574 -16.939 -8.561 1.00 0.00 O ATOM 240 CB GLU A 17 9.786 -17.411 -9.286 1.00 0.00 C ATOM 241 CG GLU A 17 11.000 -17.188 -10.173 1.00 0.00 C ATOM 242 CD GLU A 17 11.812 -18.452 -10.379 1.00 0.00 C ATOM 243 OE1 GLU A 17 11.458 -19.245 -11.276 1.00 0.00 O ATOM 244 OE2 GLU A 17 12.802 -18.647 -9.643 1.00 0.00 O ATOM 0 H GLU A 17 10.343 -15.015 -8.998 1.00 0.00 H new ATOM 0 HA GLU A 17 8.243 -16.373 -10.363 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.114 -17.490 -8.249 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.325 -18.363 -9.548 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.673 -16.809 -11.141 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.635 -16.421 -9.728 1.00 0.00 H new ATOM 251 N CYS A 18 8.044 -16.100 -7.079 1.00 0.00 N ATOM 252 CA CYS A 18 7.133 -16.214 -5.945 1.00 0.00 C ATOM 253 C CYS A 18 6.035 -15.158 -6.022 1.00 0.00 C ATOM 254 O CYS A 18 4.936 -15.350 -5.500 1.00 0.00 O ATOM 255 CB CYS A 18 7.901 -16.073 -4.630 1.00 0.00 C ATOM 256 SG CYS A 18 9.365 -17.128 -4.514 1.00 0.00 S ATOM 0 H CYS A 18 8.959 -15.714 -6.847 1.00 0.00 H new ATOM 0 HA CYS A 18 6.668 -17.199 -5.982 1.00 0.00 H new ATOM 0 HB2 CYS A 18 8.205 -15.033 -4.509 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.231 -16.308 -3.803 1.00 0.00 H new ATOM 0 HG CYS A 18 9.033 -18.360 -4.766 1.00 0.00 H new ATOM 262 N LEU A 19 6.340 -14.041 -6.674 1.00 0.00 N ATOM 263 CA LEU A 19 5.379 -12.953 -6.818 1.00 0.00 C ATOM 264 C LEU A 19 4.300 -13.310 -7.834 1.00 0.00 C ATOM 265 O LEU A 19 3.118 -13.038 -7.622 1.00 0.00 O ATOM 266 CB LEU A 19 6.093 -11.669 -7.245 1.00 0.00 C ATOM 267 CG LEU A 19 6.894 -10.953 -6.157 1.00 0.00 C ATOM 268 CD1 LEU A 19 7.532 -9.687 -6.710 1.00 0.00 C ATOM 269 CD2 LEU A 19 6.004 -10.628 -4.967 1.00 0.00 C ATOM 0 H LEU A 19 7.245 -13.865 -7.111 1.00 0.00 H new ATOM 0 HA LEU A 19 4.902 -12.792 -5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.768 -11.908 -8.067 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.348 -10.976 -7.636 1.00 0.00 H new ATOM 0 HG LEU A 19 7.689 -11.618 -5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.098 -9.191 -5.922 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.202 -9.945 -7.530 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.754 -9.017 -7.075 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.591 -10.119 -4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.188 -9.981 -5.289 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.595 -11.551 -4.556 1.00 0.00 H new ATOM 281 N ALA A 20 4.713 -13.923 -8.939 1.00 0.00 N ATOM 282 CA ALA A 20 3.781 -14.321 -9.986 1.00 0.00 C ATOM 283 C ALA A 20 2.760 -15.324 -9.460 1.00 0.00 C ATOM 284 O ALA A 20 1.598 -15.314 -9.866 1.00 0.00 O ATOM 285 CB ALA A 20 4.537 -14.907 -11.170 1.00 0.00 C ATOM 0 H ALA A 20 5.687 -14.155 -9.132 1.00 0.00 H new ATOM 0 HA ALA A 20 3.242 -13.433 -10.316 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.829 -15.200 -11.945 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.223 -14.160 -11.569 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.101 -15.781 -10.845 1.00 0.00 H new ATOM 291 N VAL A 21 3.202 -16.191 -8.553 1.00 0.00 N ATOM 292 CA VAL A 21 2.326 -17.201 -7.971 1.00 0.00 C ATOM 293 C VAL A 21 1.372 -16.581 -6.956 1.00 0.00 C ATOM 294 O VAL A 21 0.190 -16.921 -6.913 1.00 0.00 O ATOM 295 CB VAL A 21 3.135 -18.317 -7.284 1.00 0.00 C ATOM 296 CG1 VAL A 21 2.208 -19.406 -6.765 1.00 0.00 C ATOM 297 CG2 VAL A 21 4.165 -18.894 -8.243 1.00 0.00 C ATOM 0 H VAL A 21 4.161 -16.214 -8.206 1.00 0.00 H new ATOM 0 HA VAL A 21 1.751 -17.632 -8.790 1.00 0.00 H new ATOM 0 HB VAL A 21 3.664 -17.888 -6.433 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.797 -20.186 -6.283 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.512 -18.978 -6.043 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.649 -19.835 -7.597 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.728 -19.681 -7.742 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.659 -19.309 -9.115 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.848 -18.106 -8.561 1.00 0.00 H new ATOM 307 N MET A 22 1.894 -15.670 -6.141 1.00 0.00 N ATOM 308 CA MET A 22 1.087 -15.002 -5.126 1.00 0.00 C ATOM 309 C MET A 22 -0.030 -14.187 -5.770 1.00 0.00 C ATOM 310 O MET A 22 -1.138 -14.109 -5.240 1.00 0.00 O ATOM 311 CB MET A 22 1.965 -14.093 -4.264 1.00 0.00 C ATOM 312 CG MET A 22 2.624 -14.812 -3.098 1.00 0.00 C ATOM 313 SD MET A 22 3.046 -13.699 -1.744 1.00 0.00 S ATOM 314 CE MET A 22 4.379 -12.758 -2.483 1.00 0.00 C ATOM 0 H MET A 22 2.871 -15.378 -6.163 1.00 0.00 H new ATOM 0 HA MET A 22 0.637 -15.767 -4.493 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.739 -13.649 -4.890 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.358 -13.274 -3.879 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.954 -15.588 -2.729 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.528 -15.311 -3.448 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.942 -12.249 -1.701 1.00 0.00 H new ATOM 0 HE2 MET A 22 5.041 -13.431 -3.027 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.966 -12.021 -3.171 1.00 0.00 H new ATOM 324 N GLU A 23 0.269 -13.582 -6.916 1.00 0.00 N ATOM 325 CA GLU A 23 -0.712 -12.773 -7.630 1.00 0.00 C ATOM 326 C GLU A 23 -1.819 -13.647 -8.212 1.00 0.00 C ATOM 327 O GLU A 23 -2.983 -13.249 -8.249 1.00 0.00 O ATOM 328 CB GLU A 23 -0.033 -11.979 -8.748 1.00 0.00 C ATOM 329 CG GLU A 23 0.482 -10.620 -8.303 1.00 0.00 C ATOM 330 CD GLU A 23 1.415 -9.989 -9.319 1.00 0.00 C ATOM 331 OE1 GLU A 23 2.629 -10.281 -9.270 1.00 0.00 O ATOM 332 OE2 GLU A 23 0.933 -9.205 -10.162 1.00 0.00 O ATOM 0 H GLU A 23 1.181 -13.637 -7.369 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.158 -12.078 -6.919 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.799 -12.562 -9.143 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.741 -11.840 -9.565 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.363 -9.954 -8.129 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.005 -10.727 -7.352 1.00 0.00 H new ATOM 339 N SER A 24 -1.446 -14.840 -8.665 1.00 0.00 N ATOM 340 CA SER A 24 -2.406 -15.769 -9.249 1.00 0.00 C ATOM 341 C SER A 24 -3.466 -16.169 -8.228 1.00 0.00 C ATOM 342 O SER A 24 -4.664 -16.137 -8.514 1.00 0.00 O ATOM 343 CB SER A 24 -1.688 -17.016 -9.771 1.00 0.00 C ATOM 344 OG SER A 24 -2.616 -18.022 -10.137 1.00 0.00 O ATOM 0 H SER A 24 -0.487 -15.185 -8.639 1.00 0.00 H new ATOM 0 HA SER A 24 -2.900 -15.267 -10.081 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.074 -16.752 -10.632 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.014 -17.399 -9.005 1.00 0.00 H new ATOM 0 HG SER A 24 -2.133 -18.808 -10.469 1.00 0.00 H new ATOM 350 N TYR A 25 -3.018 -16.545 -7.036 1.00 0.00 N ATOM 351 CA TYR A 25 -3.927 -16.954 -5.971 1.00 0.00 C ATOM 352 C TYR A 25 -4.760 -15.773 -5.483 1.00 0.00 C ATOM 353 O TYR A 25 -5.910 -15.935 -5.075 1.00 0.00 O ATOM 354 CB TYR A 25 -3.141 -17.555 -4.804 1.00 0.00 C ATOM 355 CG TYR A 25 -2.731 -18.993 -5.029 1.00 0.00 C ATOM 356 CD1 TYR A 25 -1.895 -19.341 -6.083 1.00 0.00 C ATOM 357 CD2 TYR A 25 -3.179 -20.004 -4.187 1.00 0.00 C ATOM 358 CE1 TYR A 25 -1.517 -20.653 -6.292 1.00 0.00 C ATOM 359 CE2 TYR A 25 -2.805 -21.318 -4.388 1.00 0.00 C ATOM 360 CZ TYR A 25 -1.975 -21.638 -5.441 1.00 0.00 C ATOM 361 OH TYR A 25 -1.602 -22.947 -5.646 1.00 0.00 O ATOM 0 H TYR A 25 -2.031 -16.575 -6.782 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.602 -17.710 -6.374 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.248 -16.954 -4.630 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.747 -17.496 -3.900 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.535 -18.572 -6.750 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.831 -19.758 -3.362 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.867 -20.906 -7.116 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.161 -22.091 -3.723 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.009 -23.515 -4.959 1.00 0.00 H new ATOM 371 N PHE A 26 -4.170 -14.582 -5.528 1.00 0.00 N ATOM 372 CA PHE A 26 -4.856 -13.372 -5.090 1.00 0.00 C ATOM 373 C PHE A 26 -5.990 -13.014 -6.047 1.00 0.00 C ATOM 374 O PHE A 26 -7.005 -12.450 -5.639 1.00 0.00 O ATOM 375 CB PHE A 26 -3.869 -12.208 -4.992 1.00 0.00 C ATOM 376 CG PHE A 26 -4.419 -11.015 -4.263 1.00 0.00 C ATOM 377 CD1 PHE A 26 -5.437 -10.256 -4.818 1.00 0.00 C ATOM 378 CD2 PHE A 26 -3.917 -10.653 -3.024 1.00 0.00 C ATOM 379 CE1 PHE A 26 -5.945 -9.159 -4.150 1.00 0.00 C ATOM 380 CE2 PHE A 26 -4.422 -9.556 -2.350 1.00 0.00 C ATOM 381 CZ PHE A 26 -5.436 -8.808 -2.915 1.00 0.00 C ATOM 0 H PHE A 26 -3.219 -14.430 -5.863 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.282 -13.561 -4.105 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.966 -12.549 -4.485 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.575 -11.906 -5.997 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.838 -10.525 -5.784 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.122 -11.234 -2.579 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.739 -8.576 -4.593 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.024 -9.285 -1.383 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.831 -7.950 -2.392 1.00 0.00 H new ATOM 391 N ASN A 27 -5.808 -13.345 -7.321 1.00 0.00 N ATOM 392 CA ASN A 27 -6.814 -13.057 -8.337 1.00 0.00 C ATOM 393 C ASN A 27 -8.047 -13.936 -8.146 1.00 0.00 C ATOM 394 O ASN A 27 -9.173 -13.502 -8.385 1.00 0.00 O ATOM 395 CB ASN A 27 -6.233 -13.271 -9.735 1.00 0.00 C ATOM 396 CG ASN A 27 -5.587 -12.017 -10.292 1.00 0.00 C ATOM 397 OD1 ASN A 27 -6.052 -11.453 -11.282 1.00 0.00 O ATOM 398 ND2 ASN A 27 -4.509 -11.574 -9.654 1.00 0.00 N ATOM 0 H ASN A 27 -4.973 -13.813 -7.675 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.113 -12.014 -8.231 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.494 -14.072 -9.700 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.025 -13.598 -10.408 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.032 -10.734 -9.981 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.159 -12.074 -8.837 1.00 0.00 H new ATOM 405 N GLU A 28 -7.824 -15.172 -7.713 1.00 0.00 N ATOM 406 CA GLU A 28 -8.916 -16.112 -7.490 1.00 0.00 C ATOM 407 C GLU A 28 -9.538 -15.907 -6.112 1.00 0.00 C ATOM 408 O GLU A 28 -10.740 -16.090 -5.928 1.00 0.00 O ATOM 409 CB GLU A 28 -8.417 -17.552 -7.627 1.00 0.00 C ATOM 410 CG GLU A 28 -7.575 -18.018 -6.451 1.00 0.00 C ATOM 411 CD GLU A 28 -7.512 -19.529 -6.342 1.00 0.00 C ATOM 412 OE1 GLU A 28 -8.511 -20.135 -5.899 1.00 0.00 O ATOM 413 OE2 GLU A 28 -6.464 -20.107 -6.699 1.00 0.00 O ATOM 0 H GLU A 28 -6.897 -15.546 -7.510 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.679 -15.927 -8.246 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.274 -18.216 -7.735 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.829 -17.639 -8.541 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.565 -17.622 -6.553 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.987 -17.608 -5.529 1.00 0.00 H new ATOM 420 N ASN A 29 -8.709 -15.525 -5.146 1.00 0.00 N ATOM 421 CA ASN A 29 -9.176 -15.295 -3.784 1.00 0.00 C ATOM 422 C ASN A 29 -8.324 -14.238 -3.087 1.00 0.00 C ATOM 423 O ASN A 29 -7.095 -14.295 -3.125 1.00 0.00 O ATOM 424 CB ASN A 29 -9.144 -16.600 -2.985 1.00 0.00 C ATOM 425 CG ASN A 29 -10.002 -16.534 -1.736 1.00 0.00 C ATOM 426 OD1 ASN A 29 -10.804 -15.615 -1.568 1.00 0.00 O ATOM 427 ND2 ASN A 29 -9.837 -17.512 -0.853 1.00 0.00 N ATOM 0 H ASN A 29 -7.710 -15.368 -5.281 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.203 -14.932 -3.835 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.489 -17.418 -3.617 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -8.115 -16.826 -2.704 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.387 -17.522 0.006 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.160 -18.254 -1.034 1.00 0.00 H new ATOM 434 N GLN A 30 -8.986 -13.277 -2.452 1.00 0.00 N ATOM 435 CA GLN A 30 -8.290 -12.207 -1.747 1.00 0.00 C ATOM 436 C GLN A 30 -7.658 -12.725 -0.460 1.00 0.00 C ATOM 437 O GLN A 30 -6.573 -12.293 -0.071 1.00 0.00 O ATOM 438 CB GLN A 30 -9.254 -11.063 -1.432 1.00 0.00 C ATOM 439 CG GLN A 30 -9.649 -10.246 -2.652 1.00 0.00 C ATOM 440 CD GLN A 30 -8.723 -9.070 -2.892 1.00 0.00 C ATOM 441 OE1 GLN A 30 -7.844 -8.782 -2.080 1.00 0.00 O ATOM 442 NE2 GLN A 30 -8.915 -8.384 -4.013 1.00 0.00 N ATOM 0 H GLN A 30 -10.003 -13.217 -2.411 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.497 -11.835 -2.395 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -10.154 -11.473 -0.973 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.794 -10.403 -0.697 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.648 -10.890 -3.532 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.668 -9.881 -2.526 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.656 -8.658 -4.658 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.321 -7.583 -4.229 1.00 0.00 H new ATOM 451 N TYR A 31 -8.344 -13.653 0.198 1.00 0.00 N ATOM 452 CA TYR A 31 -7.852 -14.228 1.444 1.00 0.00 C ATOM 453 C TYR A 31 -7.752 -15.747 1.341 1.00 0.00 C ATOM 454 O TYR A 31 -8.720 -16.475 1.562 1.00 0.00 O ATOM 455 CB TYR A 31 -8.770 -13.844 2.606 1.00 0.00 C ATOM 456 CG TYR A 31 -9.246 -12.409 2.552 1.00 0.00 C ATOM 457 CD1 TYR A 31 -10.154 -11.994 1.587 1.00 0.00 C ATOM 458 CD2 TYR A 31 -8.788 -11.470 3.468 1.00 0.00 C ATOM 459 CE1 TYR A 31 -10.591 -10.685 1.533 1.00 0.00 C ATOM 460 CE2 TYR A 31 -9.221 -10.159 3.423 1.00 0.00 C ATOM 461 CZ TYR A 31 -10.122 -9.771 2.454 1.00 0.00 C ATOM 462 OH TYR A 31 -10.556 -8.466 2.405 1.00 0.00 O ATOM 0 H TYR A 31 -9.243 -14.023 -0.111 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.855 -13.828 1.630 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.636 -14.506 2.608 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.242 -14.008 3.545 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.525 -12.707 0.866 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.082 -11.770 4.228 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.296 -10.379 0.774 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -8.856 -9.442 4.143 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.131 -7.953 3.124 1.00 0.00 H new ATOM 472 N PRO A 32 -6.552 -16.238 0.998 1.00 0.00 N ATOM 473 CA PRO A 32 -6.295 -17.675 0.859 1.00 0.00 C ATOM 474 C PRO A 32 -6.318 -18.400 2.200 1.00 0.00 C ATOM 475 O PRO A 32 -5.535 -18.089 3.098 1.00 0.00 O ATOM 476 CB PRO A 32 -4.894 -17.727 0.246 1.00 0.00 C ATOM 477 CG PRO A 32 -4.250 -16.449 0.663 1.00 0.00 C ATOM 478 CD PRO A 32 -5.354 -15.429 0.720 1.00 0.00 C ATOM 0 HA PRO A 32 -7.057 -18.169 0.256 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.335 -18.589 0.609 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.940 -17.811 -0.840 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.766 -16.555 1.634 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.479 -16.150 -0.047 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.178 -14.690 1.502 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.446 -14.884 -0.219 1.00 0.00 H new ATOM 486 N ASP A 33 -7.219 -19.368 2.329 1.00 0.00 N ATOM 487 CA ASP A 33 -7.342 -20.139 3.560 1.00 0.00 C ATOM 488 C ASP A 33 -5.984 -20.674 4.004 1.00 0.00 C ATOM 489 O ASP A 33 -4.992 -20.547 3.288 1.00 0.00 O ATOM 490 CB ASP A 33 -8.322 -21.297 3.366 1.00 0.00 C ATOM 491 CG ASP A 33 -9.750 -20.823 3.182 1.00 0.00 C ATOM 492 OD1 ASP A 33 -10.231 -20.044 4.032 1.00 0.00 O ATOM 493 OD2 ASP A 33 -10.387 -21.230 2.189 1.00 0.00 O ATOM 0 H ASP A 33 -7.875 -19.637 1.596 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.723 -19.477 4.338 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.022 -21.881 2.496 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.271 -21.961 4.229 1.00 0.00 H new ATOM 498 N GLU A 34 -5.949 -21.273 5.191 1.00 0.00 N ATOM 499 CA GLU A 34 -4.712 -21.825 5.731 1.00 0.00 C ATOM 500 C GLU A 34 -4.108 -22.846 4.771 1.00 0.00 C ATOM 501 O GLU A 34 -2.901 -22.849 4.530 1.00 0.00 O ATOM 502 CB GLU A 34 -4.969 -22.477 7.091 1.00 0.00 C ATOM 503 CG GLU A 34 -3.784 -23.265 7.622 1.00 0.00 C ATOM 504 CD GLU A 34 -4.055 -23.882 8.980 1.00 0.00 C ATOM 505 OE1 GLU A 34 -4.134 -23.124 9.970 1.00 0.00 O ATOM 506 OE2 GLU A 34 -4.187 -25.121 9.054 1.00 0.00 O ATOM 0 H GLU A 34 -6.762 -21.388 5.796 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.003 -21.006 5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.232 -21.703 7.812 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.829 -23.142 7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.530 -24.053 6.913 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.917 -22.608 7.692 1.00 0.00 H new ATOM 513 N ALA A 35 -4.956 -23.711 4.226 1.00 0.00 N ATOM 514 CA ALA A 35 -4.507 -24.736 3.292 1.00 0.00 C ATOM 515 C ALA A 35 -4.058 -24.118 1.972 1.00 0.00 C ATOM 516 O ALA A 35 -3.092 -24.571 1.359 1.00 0.00 O ATOM 517 CB ALA A 35 -5.615 -25.752 3.050 1.00 0.00 C ATOM 0 H ALA A 35 -5.958 -23.723 4.415 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.651 -25.245 3.735 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.266 -26.512 2.351 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.887 -26.225 3.993 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.486 -25.248 2.632 1.00 0.00 H new ATOM 523 N LYS A 36 -4.765 -23.079 1.540 1.00 0.00 N ATOM 524 CA LYS A 36 -4.439 -22.397 0.293 1.00 0.00 C ATOM 525 C LYS A 36 -3.083 -21.706 0.390 1.00 0.00 C ATOM 526 O LYS A 36 -2.292 -21.735 -0.554 1.00 0.00 O ATOM 527 CB LYS A 36 -5.522 -21.372 -0.049 1.00 0.00 C ATOM 528 CG LYS A 36 -5.321 -20.701 -1.397 1.00 0.00 C ATOM 529 CD LYS A 36 -5.676 -21.633 -2.543 1.00 0.00 C ATOM 530 CE LYS A 36 -7.158 -21.562 -2.880 1.00 0.00 C ATOM 531 NZ LYS A 36 -7.548 -22.593 -3.881 1.00 0.00 N ATOM 0 H LYS A 36 -5.568 -22.691 2.035 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.391 -23.144 -0.499 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.494 -21.866 -0.040 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.545 -20.608 0.728 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.937 -19.803 -1.453 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.283 -20.382 -1.494 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.089 -21.370 -3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.411 -22.656 -2.277 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.744 -21.698 -1.971 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.396 -20.571 -3.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.948 -22.128 -4.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.710 -23.144 -4.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.258 -23.229 -3.466 1.00 0.00 H new ATOM 545 N ARG A 37 -2.820 -21.086 1.536 1.00 0.00 N ATOM 546 CA ARG A 37 -1.559 -20.388 1.755 1.00 0.00 C ATOM 547 C ARG A 37 -0.379 -21.349 1.641 1.00 0.00 C ATOM 548 O ARG A 37 0.648 -21.018 1.049 1.00 0.00 O ATOM 549 CB ARG A 37 -1.554 -19.718 3.130 1.00 0.00 C ATOM 550 CG ARG A 37 -2.356 -18.428 3.182 1.00 0.00 C ATOM 551 CD ARG A 37 -1.971 -17.581 4.385 1.00 0.00 C ATOM 552 NE ARG A 37 -2.709 -17.968 5.585 1.00 0.00 N ATOM 553 CZ ARG A 37 -3.947 -17.566 5.848 1.00 0.00 C ATOM 554 NH1 ARG A 37 -4.584 -16.770 4.999 1.00 0.00 N ATOM 555 NH2 ARG A 37 -4.552 -17.961 6.961 1.00 0.00 N ATOM 0 H ARG A 37 -3.463 -21.053 2.327 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.458 -19.623 0.986 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.955 -20.415 3.866 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.524 -19.507 3.418 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.191 -17.859 2.267 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.420 -18.661 3.225 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.901 -17.679 4.570 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.162 -16.531 4.165 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.248 -18.581 6.258 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.123 -16.465 4.142 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.535 -16.463 5.204 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.066 -18.574 7.616 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.503 -17.652 7.162 1.00 0.00 H new ATOM 569 N GLU A 38 -0.534 -22.539 2.213 1.00 0.00 N ATOM 570 CA GLU A 38 0.520 -23.546 2.177 1.00 0.00 C ATOM 571 C GLU A 38 0.730 -24.063 0.757 1.00 0.00 C ATOM 572 O GLU A 38 1.857 -24.338 0.346 1.00 0.00 O ATOM 573 CB GLU A 38 0.176 -24.710 3.109 1.00 0.00 C ATOM 574 CG GLU A 38 0.636 -24.500 4.541 1.00 0.00 C ATOM 575 CD GLU A 38 0.368 -25.704 5.423 1.00 0.00 C ATOM 576 OE1 GLU A 38 1.181 -26.651 5.397 1.00 0.00 O ATOM 577 OE2 GLU A 38 -0.656 -25.700 6.139 1.00 0.00 O ATOM 0 H GLU A 38 -1.378 -22.829 2.706 1.00 0.00 H new ATOM 0 HA GLU A 38 1.445 -23.079 2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.903 -24.863 3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.630 -25.622 2.721 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.704 -24.280 4.547 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.129 -23.629 4.957 1.00 0.00 H new ATOM 584 N GLU A 39 -0.364 -24.192 0.012 1.00 0.00 N ATOM 585 CA GLU A 39 -0.299 -24.677 -1.362 1.00 0.00 C ATOM 586 C GLU A 39 0.428 -23.678 -2.257 1.00 0.00 C ATOM 587 O GLU A 39 1.298 -24.053 -3.045 1.00 0.00 O ATOM 588 CB GLU A 39 -1.707 -24.932 -1.903 1.00 0.00 C ATOM 589 CG GLU A 39 -1.740 -25.879 -3.091 1.00 0.00 C ATOM 590 CD GLU A 39 -1.302 -27.285 -2.729 1.00 0.00 C ATOM 591 OE1 GLU A 39 -0.080 -27.542 -2.724 1.00 0.00 O ATOM 592 OE2 GLU A 39 -2.181 -28.127 -2.452 1.00 0.00 O ATOM 0 H GLU A 39 -1.305 -23.968 0.336 1.00 0.00 H new ATOM 0 HA GLU A 39 0.258 -25.614 -1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.325 -25.342 -1.105 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.153 -23.981 -2.195 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.751 -25.911 -3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.092 -25.492 -3.878 1.00 0.00 H new ATOM 599 N ILE A 40 0.065 -22.406 -2.131 1.00 0.00 N ATOM 600 CA ILE A 40 0.683 -21.353 -2.928 1.00 0.00 C ATOM 601 C ILE A 40 2.113 -21.087 -2.473 1.00 0.00 C ATOM 602 O ILE A 40 3.004 -20.861 -3.292 1.00 0.00 O ATOM 603 CB ILE A 40 -0.122 -20.042 -2.849 1.00 0.00 C ATOM 604 CG1 ILE A 40 0.273 -19.106 -3.994 1.00 0.00 C ATOM 605 CG2 ILE A 40 0.099 -19.365 -1.505 1.00 0.00 C ATOM 606 CD1 ILE A 40 1.491 -18.262 -3.691 1.00 0.00 C ATOM 0 H ILE A 40 -0.654 -22.080 -1.485 1.00 0.00 H new ATOM 0 HA ILE A 40 0.692 -21.702 -3.960 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.182 -20.277 -2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.465 -19.699 -4.888 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.567 -18.449 -4.222 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.476 -18.440 -1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.226 -20.030 -0.705 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.158 -19.139 -1.381 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.713 -17.623 -4.546 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.296 -17.642 -2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.343 -18.912 -3.492 1.00 0.00 H new ATOM 618 N ALA A 41 2.327 -21.117 -1.162 1.00 0.00 N ATOM 619 CA ALA A 41 3.650 -20.883 -0.598 1.00 0.00 C ATOM 620 C ALA A 41 4.641 -21.944 -1.063 1.00 0.00 C ATOM 621 O ALA A 41 5.758 -21.628 -1.471 1.00 0.00 O ATOM 622 CB ALA A 41 3.579 -20.855 0.922 1.00 0.00 C ATOM 0 H ALA A 41 1.600 -21.301 -0.470 1.00 0.00 H new ATOM 0 HA ALA A 41 4.002 -19.914 -0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.575 -20.679 1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.910 -20.055 1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.201 -21.810 1.286 1.00 0.00 H new ATOM 628 N ASN A 42 4.224 -23.205 -0.999 1.00 0.00 N ATOM 629 CA ASN A 42 5.077 -24.314 -1.413 1.00 0.00 C ATOM 630 C ASN A 42 5.494 -24.163 -2.873 1.00 0.00 C ATOM 631 O ASN A 42 6.628 -24.469 -3.239 1.00 0.00 O ATOM 632 CB ASN A 42 4.350 -25.645 -1.213 1.00 0.00 C ATOM 633 CG ASN A 42 4.462 -26.157 0.210 1.00 0.00 C ATOM 634 OD1 ASN A 42 4.956 -27.260 0.447 1.00 0.00 O ATOM 635 ND2 ASN A 42 4.004 -25.357 1.165 1.00 0.00 N ATOM 0 H ASN A 42 3.302 -23.484 -0.665 1.00 0.00 H new ATOM 0 HA ASN A 42 5.974 -24.301 -0.794 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.298 -25.523 -1.471 1.00 0.00 H new ATOM 0 HB3 ASN A 42 4.762 -26.387 -1.897 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.054 -25.648 2.141 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.603 -24.451 0.923 1.00 0.00 H new ATOM 642 N ALA A 43 4.569 -23.689 -3.701 1.00 0.00 N ATOM 643 CA ALA A 43 4.842 -23.495 -5.120 1.00 0.00 C ATOM 644 C ALA A 43 5.927 -22.445 -5.332 1.00 0.00 C ATOM 645 O ALA A 43 6.775 -22.585 -6.214 1.00 0.00 O ATOM 646 CB ALA A 43 3.569 -23.097 -5.852 1.00 0.00 C ATOM 0 H ALA A 43 3.624 -23.432 -3.414 1.00 0.00 H new ATOM 0 HA ALA A 43 5.203 -24.439 -5.528 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.787 -22.955 -6.911 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.823 -23.883 -5.737 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.184 -22.167 -5.433 1.00 0.00 H new ATOM 652 N CYS A 44 5.894 -21.395 -4.519 1.00 0.00 N ATOM 653 CA CYS A 44 6.875 -20.320 -4.620 1.00 0.00 C ATOM 654 C CYS A 44 8.282 -20.840 -4.341 1.00 0.00 C ATOM 655 O CYS A 44 9.242 -20.443 -4.999 1.00 0.00 O ATOM 656 CB CYS A 44 6.531 -19.195 -3.643 1.00 0.00 C ATOM 657 SG CYS A 44 5.122 -18.182 -4.150 1.00 0.00 S ATOM 0 H CYS A 44 5.200 -21.265 -3.783 1.00 0.00 H new ATOM 0 HA CYS A 44 6.847 -19.929 -5.637 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.320 -19.629 -2.666 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.403 -18.552 -3.524 1.00 0.00 H new ATOM 0 HG CYS A 44 4.908 -17.260 -3.259 1.00 0.00 H new ATOM 663 N ASN A 45 8.395 -21.728 -3.359 1.00 0.00 N ATOM 664 CA ASN A 45 9.685 -22.301 -2.991 1.00 0.00 C ATOM 665 C ASN A 45 10.218 -23.200 -4.102 1.00 0.00 C ATOM 666 O ASN A 45 11.424 -23.266 -4.337 1.00 0.00 O ATOM 667 CB ASN A 45 9.561 -23.097 -1.690 1.00 0.00 C ATOM 668 CG ASN A 45 9.677 -22.217 -0.461 1.00 0.00 C ATOM 669 OD1 ASN A 45 10.601 -21.411 -0.345 1.00 0.00 O ATOM 670 ND2 ASN A 45 8.738 -22.368 0.466 1.00 0.00 N ATOM 0 H ASN A 45 7.609 -22.067 -2.804 1.00 0.00 H new ATOM 0 HA ASN A 45 10.389 -21.482 -2.842 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.602 -23.614 -1.674 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.337 -23.862 -1.660 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.765 -21.804 1.315 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.990 -23.048 0.329 1.00 0.00 H new ATOM 677 N ALA A 46 9.309 -23.892 -4.783 1.00 0.00 N ATOM 678 CA ALA A 46 9.687 -24.785 -5.871 1.00 0.00 C ATOM 679 C ALA A 46 10.194 -24.000 -7.075 1.00 0.00 C ATOM 680 O ALA A 46 11.245 -24.312 -7.636 1.00 0.00 O ATOM 681 CB ALA A 46 8.508 -25.662 -6.267 1.00 0.00 C ATOM 0 H ALA A 46 8.306 -23.851 -4.600 1.00 0.00 H new ATOM 0 HA ALA A 46 10.498 -25.423 -5.520 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.804 -26.324 -7.081 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.194 -26.258 -5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.680 -25.033 -6.594 1.00 0.00 H new ATOM 687 N VAL A 47 9.440 -22.979 -7.470 1.00 0.00 N ATOM 688 CA VAL A 47 9.813 -22.148 -8.609 1.00 0.00 C ATOM 689 C VAL A 47 11.183 -21.512 -8.399 1.00 0.00 C ATOM 690 O VAL A 47 11.853 -21.129 -9.359 1.00 0.00 O ATOM 691 CB VAL A 47 8.776 -21.037 -8.856 1.00 0.00 C ATOM 692 CG1 VAL A 47 7.484 -21.624 -9.405 1.00 0.00 C ATOM 693 CG2 VAL A 47 8.515 -20.257 -7.577 1.00 0.00 C ATOM 0 H VAL A 47 8.567 -22.707 -7.018 1.00 0.00 H new ATOM 0 HA VAL A 47 9.848 -22.802 -9.480 1.00 0.00 H new ATOM 0 HB VAL A 47 9.178 -20.348 -9.599 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.763 -20.824 -9.573 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.687 -22.133 -10.347 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.075 -22.336 -8.689 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.780 -19.476 -7.771 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.134 -20.932 -6.811 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.444 -19.803 -7.232 1.00 0.00 H new ATOM 703 N ILE A 48 11.593 -21.404 -7.140 1.00 0.00 N ATOM 704 CA ILE A 48 12.883 -20.816 -6.805 1.00 0.00 C ATOM 705 C ILE A 48 13.886 -21.888 -6.394 1.00 0.00 C ATOM 706 O ILE A 48 15.097 -21.694 -6.502 1.00 0.00 O ATOM 707 CB ILE A 48 12.755 -19.786 -5.667 1.00 0.00 C ATOM 708 CG1 ILE A 48 12.337 -20.478 -4.369 1.00 0.00 C ATOM 709 CG2 ILE A 48 11.754 -18.704 -6.043 1.00 0.00 C ATOM 710 CD1 ILE A 48 12.337 -19.559 -3.167 1.00 0.00 C ATOM 0 H ILE A 48 11.050 -21.716 -6.335 1.00 0.00 H new ATOM 0 HA ILE A 48 13.241 -20.311 -7.702 1.00 0.00 H new ATOM 0 HB ILE A 48 13.726 -19.317 -5.510 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.339 -20.897 -4.496 1.00 0.00 H new ATOM 0 HG13 ILE A 48 13.012 -21.313 -4.178 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.674 -17.983 -5.229 1.00 0.00 H new ATOM 0 HG22 ILE A 48 12.090 -18.195 -6.946 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.779 -19.157 -6.223 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.031 -20.117 -2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 48 13.340 -19.159 -3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.641 -18.738 -3.337 1.00 0.00 H new ATOM 722 N GLN A 49 13.373 -23.021 -5.925 1.00 0.00 N ATOM 723 CA GLN A 49 14.225 -24.126 -5.499 1.00 0.00 C ATOM 724 C GLN A 49 15.001 -24.701 -6.679 1.00 0.00 C ATOM 725 O GLN A 49 14.413 -25.184 -7.646 1.00 0.00 O ATOM 726 CB GLN A 49 13.383 -25.222 -4.843 1.00 0.00 C ATOM 727 CG GLN A 49 14.184 -26.457 -4.461 1.00 0.00 C ATOM 728 CD GLN A 49 13.549 -27.236 -3.327 1.00 0.00 C ATOM 729 OE1 GLN A 49 12.412 -27.698 -3.435 1.00 0.00 O ATOM 730 NE2 GLN A 49 14.282 -27.388 -2.230 1.00 0.00 N ATOM 0 H GLN A 49 12.373 -23.198 -5.830 1.00 0.00 H new ATOM 0 HA GLN A 49 14.940 -23.742 -4.771 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.907 -24.817 -3.950 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.585 -25.513 -5.526 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.282 -27.105 -5.332 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.191 -26.157 -4.171 1.00 0.00 H new ATOM 0 HE21 GLN A 49 15.219 -26.988 -2.184 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.908 -27.904 -1.434 1.00 0.00 H new ATOM 739 N LYS A 50 16.326 -24.646 -6.592 1.00 0.00 N ATOM 740 CA LYS A 50 17.184 -25.163 -7.652 1.00 0.00 C ATOM 741 C LYS A 50 17.869 -26.454 -7.216 1.00 0.00 C ATOM 742 O LYS A 50 18.107 -26.690 -6.031 1.00 0.00 O ATOM 743 CB LYS A 50 18.235 -24.120 -8.038 1.00 0.00 C ATOM 744 CG LYS A 50 17.648 -22.760 -8.374 1.00 0.00 C ATOM 745 CD LYS A 50 18.731 -21.702 -8.504 1.00 0.00 C ATOM 746 CE LYS A 50 19.546 -21.892 -9.775 1.00 0.00 C ATOM 747 NZ LYS A 50 20.512 -20.779 -9.985 1.00 0.00 N ATOM 0 H LYS A 50 16.829 -24.249 -5.799 1.00 0.00 H new ATOM 0 HA LYS A 50 16.560 -25.379 -8.519 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.942 -24.008 -7.216 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.799 -24.485 -8.896 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.088 -22.825 -9.307 1.00 0.00 H new ATOM 0 HG3 LYS A 50 16.942 -22.466 -7.598 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.275 -20.712 -8.507 1.00 0.00 H new ATOM 0 HD3 LYS A 50 19.391 -21.747 -7.637 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.087 -22.837 -9.722 1.00 0.00 H new ATOM 0 HE3 LYS A 50 18.874 -21.956 -10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.048 -20.945 -10.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.995 -19.880 -10.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.169 -20.733 -9.180 1.00 0.00 H new ATOM 761 N PRO A 51 18.197 -27.311 -8.195 1.00 0.00 N ATOM 762 CA PRO A 51 18.862 -28.591 -7.936 1.00 0.00 C ATOM 763 C PRO A 51 20.304 -28.413 -7.475 1.00 0.00 C ATOM 764 O PRO A 51 21.088 -27.711 -8.113 1.00 0.00 O ATOM 765 CB PRO A 51 18.817 -29.295 -9.295 1.00 0.00 C ATOM 766 CG PRO A 51 18.734 -28.190 -10.291 1.00 0.00 C ATOM 767 CD PRO A 51 17.944 -27.095 -9.629 1.00 0.00 C ATOM 0 HA PRO A 51 18.376 -29.148 -7.135 1.00 0.00 H new ATOM 0 HB2 PRO A 51 19.706 -29.906 -9.454 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.956 -29.960 -9.368 1.00 0.00 H new ATOM 0 HG2 PRO A 51 19.728 -27.840 -10.570 1.00 0.00 H new ATOM 0 HG3 PRO A 51 18.246 -28.525 -11.206 1.00 0.00 H new ATOM 0 HD2 PRO A 51 18.276 -26.108 -9.952 1.00 0.00 H new ATOM 0 HD3 PRO A 51 16.882 -27.166 -9.865 1.00 0.00 H new ATOM 775 N GLY A 52 20.649 -29.054 -6.363 1.00 0.00 N ATOM 776 CA GLY A 52 21.998 -28.954 -5.836 1.00 0.00 C ATOM 777 C GLY A 52 22.235 -27.654 -5.093 1.00 0.00 C ATOM 778 O GLY A 52 23.361 -27.351 -4.699 1.00 0.00 O ATOM 0 H GLY A 52 20.018 -29.641 -5.817 1.00 0.00 H new ATOM 0 HA2 GLY A 52 22.186 -29.792 -5.165 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.712 -29.036 -6.656 1.00 0.00 H new ATOM 782 N LYS A 53 21.171 -26.881 -4.903 1.00 0.00 N ATOM 783 CA LYS A 53 21.266 -25.605 -4.203 1.00 0.00 C ATOM 784 C LYS A 53 20.334 -25.576 -2.996 1.00 0.00 C ATOM 785 O LYS A 53 19.155 -25.913 -3.101 1.00 0.00 O ATOM 786 CB LYS A 53 20.927 -24.453 -5.151 1.00 0.00 C ATOM 787 CG LYS A 53 21.625 -23.151 -4.800 1.00 0.00 C ATOM 788 CD LYS A 53 20.832 -22.350 -3.781 1.00 0.00 C ATOM 789 CE LYS A 53 21.105 -20.859 -3.910 1.00 0.00 C ATOM 790 NZ LYS A 53 20.461 -20.081 -2.815 1.00 0.00 N ATOM 0 H LYS A 53 20.232 -27.116 -5.224 1.00 0.00 H new ATOM 0 HA LYS A 53 22.291 -25.488 -3.851 1.00 0.00 H new ATOM 0 HB2 LYS A 53 21.198 -24.738 -6.167 1.00 0.00 H new ATOM 0 HB3 LYS A 53 19.849 -24.291 -5.142 1.00 0.00 H new ATOM 0 HG2 LYS A 53 22.618 -23.365 -4.403 1.00 0.00 H new ATOM 0 HG3 LYS A 53 21.764 -22.557 -5.703 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.767 -22.539 -3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 53 21.089 -22.682 -2.775 1.00 0.00 H new ATOM 0 HE2 LYS A 53 22.181 -20.684 -3.896 1.00 0.00 H new ATOM 0 HE3 LYS A 53 20.737 -20.504 -4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 20.670 -19.070 -2.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 19.432 -20.228 -2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 20.831 -20.402 -1.897 1.00 0.00 H new ATOM 804 N LYS A 54 20.870 -25.169 -1.850 1.00 0.00 N ATOM 805 CA LYS A 54 20.087 -25.092 -0.623 1.00 0.00 C ATOM 806 C LYS A 54 19.306 -23.784 -0.557 1.00 0.00 C ATOM 807 O LYS A 54 19.859 -22.707 -0.783 1.00 0.00 O ATOM 808 CB LYS A 54 21.000 -25.216 0.598 1.00 0.00 C ATOM 809 CG LYS A 54 20.277 -25.026 1.920 1.00 0.00 C ATOM 810 CD LYS A 54 21.226 -25.162 3.100 1.00 0.00 C ATOM 811 CE LYS A 54 22.072 -23.912 3.281 1.00 0.00 C ATOM 812 NZ LYS A 54 23.394 -24.221 3.892 1.00 0.00 N ATOM 0 H LYS A 54 21.845 -24.887 -1.746 1.00 0.00 H new ATOM 0 HA LYS A 54 19.377 -25.919 -0.623 1.00 0.00 H new ATOM 0 HB2 LYS A 54 21.472 -26.198 0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 54 21.798 -24.478 0.521 1.00 0.00 H new ATOM 0 HG2 LYS A 54 19.808 -24.042 1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 54 19.478 -25.762 2.008 1.00 0.00 H new ATOM 0 HD2 LYS A 54 20.654 -25.350 4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 54 21.876 -26.024 2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 54 22.222 -23.432 2.314 1.00 0.00 H new ATOM 0 HE3 LYS A 54 21.538 -23.200 3.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 23.941 -23.343 3.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 23.252 -24.656 4.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 23.914 -24.880 3.279 1.00 0.00 H new ATOM 826 N LEU A 55 18.018 -23.883 -0.245 1.00 0.00 N ATOM 827 CA LEU A 55 17.161 -22.707 -0.148 1.00 0.00 C ATOM 828 C LEU A 55 17.497 -21.890 1.096 1.00 0.00 C ATOM 829 O LEU A 55 17.848 -22.444 2.138 1.00 0.00 O ATOM 830 CB LEU A 55 15.690 -23.124 -0.116 1.00 0.00 C ATOM 831 CG LEU A 55 15.032 -23.367 -1.474 1.00 0.00 C ATOM 832 CD1 LEU A 55 13.587 -23.806 -1.297 1.00 0.00 C ATOM 833 CD2 LEU A 55 15.109 -22.115 -2.335 1.00 0.00 C ATOM 0 H LEU A 55 17.544 -24.766 -0.055 1.00 0.00 H new ATOM 0 HA LEU A 55 17.337 -22.086 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.604 -24.036 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 55 15.125 -22.351 0.406 1.00 0.00 H new ATOM 0 HG LEU A 55 15.573 -24.166 -1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.135 -23.974 -2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.556 -24.730 -0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.033 -23.029 -0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.636 -22.306 -3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.593 -21.296 -1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 55 16.153 -21.844 -2.491 1.00 0.00 H new ATOM 845 N SER A 56 17.384 -20.571 0.980 1.00 0.00 N ATOM 846 CA SER A 56 17.677 -19.678 2.095 1.00 0.00 C ATOM 847 C SER A 56 16.390 -19.141 2.714 1.00 0.00 C ATOM 848 O SER A 56 15.387 -18.957 2.025 1.00 0.00 O ATOM 849 CB SER A 56 18.555 -18.515 1.627 1.00 0.00 C ATOM 850 OG SER A 56 19.373 -18.901 0.536 1.00 0.00 O ATOM 0 H SER A 56 17.092 -20.097 0.125 1.00 0.00 H new ATOM 0 HA SER A 56 18.214 -20.248 2.853 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.925 -17.675 1.334 1.00 0.00 H new ATOM 0 HB3 SER A 56 19.180 -18.173 2.451 1.00 0.00 H new ATOM 0 HG SER A 56 19.923 -18.140 0.254 1.00 0.00 H new ATOM 856 N ASP A 57 16.428 -18.892 4.018 1.00 0.00 N ATOM 857 CA ASP A 57 15.265 -18.375 4.731 1.00 0.00 C ATOM 858 C ASP A 57 14.768 -17.081 4.095 1.00 0.00 C ATOM 859 O ASP A 57 13.603 -16.711 4.243 1.00 0.00 O ATOM 860 CB ASP A 57 15.608 -18.135 6.202 1.00 0.00 C ATOM 861 CG ASP A 57 14.378 -18.119 7.088 1.00 0.00 C ATOM 862 OD1 ASP A 57 13.442 -18.900 6.819 1.00 0.00 O ATOM 863 OD2 ASP A 57 14.352 -17.325 8.052 1.00 0.00 O ATOM 0 H ASP A 57 17.251 -19.039 4.603 1.00 0.00 H new ATOM 0 HA ASP A 57 14.471 -19.119 4.667 1.00 0.00 H new ATOM 0 HB2 ASP A 57 16.289 -18.914 6.545 1.00 0.00 H new ATOM 0 HB3 ASP A 57 16.135 -17.186 6.299 1.00 0.00 H new ATOM 868 N LEU A 58 15.660 -16.395 3.387 1.00 0.00 N ATOM 869 CA LEU A 58 15.312 -15.141 2.728 1.00 0.00 C ATOM 870 C LEU A 58 14.411 -15.390 1.523 1.00 0.00 C ATOM 871 O LEU A 58 13.456 -14.651 1.288 1.00 0.00 O ATOM 872 CB LEU A 58 16.579 -14.405 2.289 1.00 0.00 C ATOM 873 CG LEU A 58 17.436 -13.815 3.410 1.00 0.00 C ATOM 874 CD1 LEU A 58 16.972 -12.408 3.753 1.00 0.00 C ATOM 875 CD2 LEU A 58 17.392 -14.708 4.641 1.00 0.00 C ATOM 0 H LEU A 58 16.629 -16.686 3.255 1.00 0.00 H new ATOM 0 HA LEU A 58 14.768 -14.522 3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 58 17.195 -15.096 1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 58 16.291 -13.598 1.616 1.00 0.00 H new ATOM 0 HG LEU A 58 18.468 -13.760 3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 58 17.594 -12.005 4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 58 17.056 -11.772 2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 58 15.933 -12.437 4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 58 18.007 -14.273 5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 58 16.363 -14.795 4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 58 17.774 -15.697 4.387 1.00 0.00 H new ATOM 887 N GLU A 59 14.721 -16.437 0.765 1.00 0.00 N ATOM 888 CA GLU A 59 13.938 -16.784 -0.415 1.00 0.00 C ATOM 889 C GLU A 59 12.820 -17.759 -0.058 1.00 0.00 C ATOM 890 O GLU A 59 11.917 -18.005 -0.858 1.00 0.00 O ATOM 891 CB GLU A 59 14.838 -17.394 -1.491 1.00 0.00 C ATOM 892 CG GLU A 59 16.069 -16.559 -1.800 1.00 0.00 C ATOM 893 CD GLU A 59 16.562 -16.750 -3.221 1.00 0.00 C ATOM 894 OE1 GLU A 59 15.751 -17.152 -4.081 1.00 0.00 O ATOM 895 OE2 GLU A 59 17.759 -16.496 -3.473 1.00 0.00 O ATOM 0 H GLU A 59 15.508 -17.059 0.947 1.00 0.00 H new ATOM 0 HA GLU A 59 13.489 -15.870 -0.803 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.154 -18.386 -1.169 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.259 -17.525 -2.405 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.839 -15.506 -1.638 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.866 -16.822 -1.104 1.00 0.00 H new ATOM 902 N ARG A 60 12.888 -18.313 1.148 1.00 0.00 N ATOM 903 CA ARG A 60 11.883 -19.263 1.611 1.00 0.00 C ATOM 904 C ARG A 60 10.506 -18.608 1.678 1.00 0.00 C ATOM 905 O ARG A 60 10.343 -17.539 2.265 1.00 0.00 O ATOM 906 CB ARG A 60 12.265 -19.812 2.987 1.00 0.00 C ATOM 907 CG ARG A 60 11.529 -21.089 3.358 1.00 0.00 C ATOM 908 CD ARG A 60 12.313 -21.910 4.370 1.00 0.00 C ATOM 909 NE ARG A 60 11.482 -22.920 5.018 1.00 0.00 N ATOM 910 CZ ARG A 60 11.966 -24.028 5.568 1.00 0.00 C ATOM 911 NH1 ARG A 60 13.270 -24.266 5.550 1.00 0.00 N ATOM 912 NH2 ARG A 60 11.145 -24.901 6.139 1.00 0.00 N ATOM 0 H ARG A 60 13.629 -18.120 1.822 1.00 0.00 H new ATOM 0 HA ARG A 60 11.841 -20.086 0.897 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.338 -20.002 3.008 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.061 -19.052 3.742 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.551 -20.840 3.769 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.356 -21.684 2.461 1.00 0.00 H new ATOM 0 HD2 ARG A 60 13.151 -22.396 3.871 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.734 -21.247 5.126 1.00 0.00 H new ATOM 0 HE ARG A 60 10.474 -22.767 5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.904 -23.597 5.113 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.639 -25.118 5.973 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.141 -24.721 6.156 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.518 -25.751 6.561 1.00 0.00 H new ATOM 926 N VAL A 61 9.518 -19.258 1.071 1.00 0.00 N ATOM 927 CA VAL A 61 8.155 -18.740 1.061 1.00 0.00 C ATOM 928 C VAL A 61 7.211 -19.664 1.822 1.00 0.00 C ATOM 929 O VAL A 61 6.702 -20.641 1.272 1.00 0.00 O ATOM 930 CB VAL A 61 7.632 -18.562 -0.377 1.00 0.00 C ATOM 931 CG1 VAL A 61 6.209 -18.025 -0.365 1.00 0.00 C ATOM 932 CG2 VAL A 61 8.551 -17.642 -1.167 1.00 0.00 C ATOM 0 H VAL A 61 9.636 -20.144 0.580 1.00 0.00 H new ATOM 0 HA VAL A 61 8.183 -17.767 1.552 1.00 0.00 H new ATOM 0 HB VAL A 61 7.623 -19.536 -0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.856 -17.906 -1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.561 -18.724 0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.189 -17.059 0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.167 -17.527 -2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.594 -16.667 -0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.552 -18.072 -1.205 1.00 0.00 H new ATOM 942 N THR A 62 6.980 -19.349 3.093 1.00 0.00 N ATOM 943 CA THR A 62 6.098 -20.151 3.931 1.00 0.00 C ATOM 944 C THR A 62 4.664 -19.637 3.870 1.00 0.00 C ATOM 945 O THR A 62 4.404 -18.557 3.338 1.00 0.00 O ATOM 946 CB THR A 62 6.567 -20.155 5.399 1.00 0.00 C ATOM 947 OG1 THR A 62 6.453 -18.839 5.953 1.00 0.00 O ATOM 948 CG2 THR A 62 8.008 -20.632 5.505 1.00 0.00 C ATOM 0 H THR A 62 7.392 -18.544 3.564 1.00 0.00 H new ATOM 0 HA THR A 62 6.134 -21.169 3.543 1.00 0.00 H new ATOM 0 HB THR A 62 5.931 -20.841 5.959 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.751 -18.850 6.886 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.317 -20.626 6.550 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.086 -21.644 5.109 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.654 -19.967 4.932 1.00 0.00 H new ATOM 956 N SER A 63 3.737 -20.415 4.418 1.00 0.00 N ATOM 957 CA SER A 63 2.328 -20.040 4.422 1.00 0.00 C ATOM 958 C SER A 63 2.129 -18.687 5.098 1.00 0.00 C ATOM 959 O SER A 63 1.273 -17.898 4.695 1.00 0.00 O ATOM 960 CB SER A 63 1.496 -21.107 5.136 1.00 0.00 C ATOM 961 OG SER A 63 0.343 -20.539 5.732 1.00 0.00 O ATOM 0 H SER A 63 3.936 -21.310 4.865 1.00 0.00 H new ATOM 0 HA SER A 63 1.995 -19.963 3.387 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.199 -21.878 4.425 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.102 -21.594 5.900 1.00 0.00 H new ATOM 0 HG SER A 63 -0.173 -21.241 6.181 1.00 0.00 H new ATOM 967 N LEU A 64 2.925 -18.424 6.128 1.00 0.00 N ATOM 968 CA LEU A 64 2.838 -17.167 6.862 1.00 0.00 C ATOM 969 C LEU A 64 3.313 -16.000 6.002 1.00 0.00 C ATOM 970 O LEU A 64 2.695 -14.935 5.984 1.00 0.00 O ATOM 971 CB LEU A 64 3.670 -17.242 8.144 1.00 0.00 C ATOM 972 CG LEU A 64 3.899 -15.919 8.874 1.00 0.00 C ATOM 973 CD1 LEU A 64 2.573 -15.312 9.308 1.00 0.00 C ATOM 974 CD2 LEU A 64 4.812 -16.123 10.074 1.00 0.00 C ATOM 0 H LEU A 64 3.639 -19.065 6.474 1.00 0.00 H new ATOM 0 HA LEU A 64 1.793 -17.000 7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.181 -17.933 8.831 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.641 -17.671 7.898 1.00 0.00 H new ATOM 0 HG LEU A 64 4.385 -15.226 8.187 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.756 -14.371 9.826 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.952 -15.129 8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.059 -16.001 9.978 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.964 -15.170 10.582 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.354 -16.833 10.763 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.773 -16.512 9.738 1.00 0.00 H new ATOM 986 N LYS A 65 4.413 -16.208 5.287 1.00 0.00 N ATOM 987 CA LYS A 65 4.970 -15.176 4.421 1.00 0.00 C ATOM 988 C LYS A 65 3.948 -14.729 3.381 1.00 0.00 C ATOM 989 O LYS A 65 3.858 -13.546 3.052 1.00 0.00 O ATOM 990 CB LYS A 65 6.231 -15.692 3.724 1.00 0.00 C ATOM 991 CG LYS A 65 7.479 -15.611 4.586 1.00 0.00 C ATOM 992 CD LYS A 65 8.743 -15.716 3.749 1.00 0.00 C ATOM 993 CE LYS A 65 9.892 -16.312 4.547 1.00 0.00 C ATOM 994 NZ LYS A 65 9.667 -17.751 4.855 1.00 0.00 N ATOM 0 H LYS A 65 4.937 -17.083 5.290 1.00 0.00 H new ATOM 0 HA LYS A 65 5.230 -14.318 5.041 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.073 -16.728 3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.392 -15.118 2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.482 -14.669 5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.464 -16.411 5.326 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.549 -16.333 2.872 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.024 -14.727 3.387 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.820 -16.202 3.985 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.015 -15.757 5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.527 -18.154 5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.875 -17.843 5.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.441 -18.263 3.978 1.00 0.00 H new ATOM 1008 N VAL A 66 3.178 -15.683 2.866 1.00 0.00 N ATOM 1009 CA VAL A 66 2.161 -15.387 1.865 1.00 0.00 C ATOM 1010 C VAL A 66 1.077 -14.478 2.435 1.00 0.00 C ATOM 1011 O VAL A 66 0.632 -13.538 1.777 1.00 0.00 O ATOM 1012 CB VAL A 66 1.507 -16.675 1.331 1.00 0.00 C ATOM 1013 CG1 VAL A 66 0.468 -16.347 0.269 1.00 0.00 C ATOM 1014 CG2 VAL A 66 2.564 -17.620 0.780 1.00 0.00 C ATOM 0 H VAL A 66 3.240 -16.667 3.126 1.00 0.00 H new ATOM 0 HA VAL A 66 2.664 -14.877 1.044 1.00 0.00 H new ATOM 0 HB VAL A 66 1.001 -17.174 2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.017 -17.270 -0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.305 -15.711 0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.947 -15.825 -0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.084 -18.525 0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.100 -17.132 -0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.266 -17.882 1.571 1.00 0.00 H new ATOM 1024 N TYR A 67 0.657 -14.766 3.662 1.00 0.00 N ATOM 1025 CA TYR A 67 -0.376 -13.976 4.320 1.00 0.00 C ATOM 1026 C TYR A 67 0.078 -12.531 4.507 1.00 0.00 C ATOM 1027 O TYR A 67 -0.719 -11.600 4.402 1.00 0.00 O ATOM 1028 CB TYR A 67 -0.730 -14.589 5.676 1.00 0.00 C ATOM 1029 CG TYR A 67 -1.919 -13.936 6.344 1.00 0.00 C ATOM 1030 CD1 TYR A 67 -3.149 -13.863 5.702 1.00 0.00 C ATOM 1031 CD2 TYR A 67 -1.812 -13.393 7.619 1.00 0.00 C ATOM 1032 CE1 TYR A 67 -4.237 -13.267 6.309 1.00 0.00 C ATOM 1033 CE2 TYR A 67 -2.896 -12.796 8.234 1.00 0.00 C ATOM 1034 CZ TYR A 67 -4.106 -12.735 7.575 1.00 0.00 C ATOM 1035 OH TYR A 67 -5.188 -12.141 8.183 1.00 0.00 O ATOM 0 H TYR A 67 1.016 -15.540 4.220 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.261 -13.981 3.683 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.937 -15.651 5.542 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.134 -14.513 6.336 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.256 -14.279 4.711 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.866 -13.438 8.138 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.186 -13.218 5.795 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.796 -12.379 9.225 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.928 -11.819 9.071 1.00 0.00 H new ATOM 1045 N ASN A 68 1.366 -12.354 4.783 1.00 0.00 N ATOM 1046 CA ASN A 68 1.928 -11.023 4.984 1.00 0.00 C ATOM 1047 C ASN A 68 1.909 -10.223 3.685 1.00 0.00 C ATOM 1048 O ASN A 68 1.549 -9.045 3.676 1.00 0.00 O ATOM 1049 CB ASN A 68 3.361 -11.127 5.511 1.00 0.00 C ATOM 1050 CG ASN A 68 3.419 -11.159 7.026 1.00 0.00 C ATOM 1051 OD1 ASN A 68 2.714 -10.408 7.701 1.00 0.00 O ATOM 1052 ND2 ASN A 68 4.261 -12.031 7.568 1.00 0.00 N ATOM 0 H ASN A 68 2.040 -13.115 4.873 1.00 0.00 H new ATOM 0 HA ASN A 68 1.314 -10.503 5.719 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.827 -12.029 5.113 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.942 -10.280 5.146 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.343 -12.098 8.583 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.826 -12.634 6.970 1.00 0.00 H new ATOM 1059 N TRP A 69 2.297 -10.869 2.592 1.00 0.00 N ATOM 1060 CA TRP A 69 2.324 -10.218 1.288 1.00 0.00 C ATOM 1061 C TRP A 69 0.911 -9.909 0.804 1.00 0.00 C ATOM 1062 O TRP A 69 0.643 -8.822 0.293 1.00 0.00 O ATOM 1063 CB TRP A 69 3.044 -11.102 0.268 1.00 0.00 C ATOM 1064 CG TRP A 69 3.103 -10.500 -1.103 1.00 0.00 C ATOM 1065 CD1 TRP A 69 4.157 -9.836 -1.663 1.00 0.00 C ATOM 1066 CD2 TRP A 69 2.062 -10.505 -2.087 1.00 0.00 C ATOM 1067 NE1 TRP A 69 3.834 -9.428 -2.934 1.00 0.00 N ATOM 1068 CE2 TRP A 69 2.555 -9.827 -3.219 1.00 0.00 C ATOM 1069 CE3 TRP A 69 0.763 -11.018 -2.122 1.00 0.00 C ATOM 1070 CZ2 TRP A 69 1.793 -9.650 -4.370 1.00 0.00 C ATOM 1071 CZ3 TRP A 69 0.008 -10.841 -3.266 1.00 0.00 C ATOM 1072 CH2 TRP A 69 0.524 -10.163 -4.377 1.00 0.00 C ATOM 0 H TRP A 69 2.597 -11.844 2.583 1.00 0.00 H new ATOM 0 HA TRP A 69 2.866 -9.278 1.390 1.00 0.00 H new ATOM 0 HB2 TRP A 69 4.059 -11.294 0.617 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.538 -12.066 0.212 1.00 0.00 H new ATOM 0 HD1 TRP A 69 5.105 -9.658 -1.178 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.448 -8.911 -3.564 1.00 0.00 H new ATOM 0 HE3 TRP A 69 0.356 -11.543 -1.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.189 -9.126 -5.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.998 -11.233 -3.304 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -0.091 -10.042 -5.256 1.00 0.00 H new ATOM 1083 N PHE A 70 0.011 -10.873 0.969 1.00 0.00 N ATOM 1084 CA PHE A 70 -1.375 -10.704 0.549 1.00 0.00 C ATOM 1085 C PHE A 70 -2.026 -9.531 1.277 1.00 0.00 C ATOM 1086 O PHE A 70 -2.729 -8.723 0.671 1.00 0.00 O ATOM 1087 CB PHE A 70 -2.170 -11.985 0.810 1.00 0.00 C ATOM 1088 CG PHE A 70 -2.158 -12.943 -0.347 1.00 0.00 C ATOM 1089 CD1 PHE A 70 -0.970 -13.501 -0.790 1.00 0.00 C ATOM 1090 CD2 PHE A 70 -3.336 -13.286 -0.991 1.00 0.00 C ATOM 1091 CE1 PHE A 70 -0.956 -14.384 -1.854 1.00 0.00 C ATOM 1092 CE2 PHE A 70 -3.329 -14.168 -2.055 1.00 0.00 C ATOM 1093 CZ PHE A 70 -2.137 -14.717 -2.487 1.00 0.00 C ATOM 0 H PHE A 70 0.217 -11.779 1.390 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.380 -10.493 -0.520 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.762 -12.484 1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.202 -11.722 1.043 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.044 -13.243 -0.298 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.270 -12.859 -0.658 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.023 -14.812 -2.189 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.254 -14.428 -2.548 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.129 -15.406 -3.319 1.00 0.00 H new ATOM 1103 N ALA A 71 -1.786 -9.447 2.582 1.00 0.00 N ATOM 1104 CA ALA A 71 -2.347 -8.373 3.393 1.00 0.00 C ATOM 1105 C ALA A 71 -1.911 -7.007 2.874 1.00 0.00 C ATOM 1106 O ALA A 71 -2.680 -6.048 2.902 1.00 0.00 O ATOM 1107 CB ALA A 71 -1.936 -8.543 4.849 1.00 0.00 C ATOM 0 H ALA A 71 -1.208 -10.109 3.099 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.433 -8.428 3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.361 -7.735 5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.303 -9.499 5.221 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.849 -8.517 4.926 1.00 0.00 H new ATOM 1113 N ASN A 72 -0.671 -6.927 2.401 1.00 0.00 N ATOM 1114 CA ASN A 72 -0.132 -5.678 1.877 1.00 0.00 C ATOM 1115 C ASN A 72 -0.908 -5.226 0.643 1.00 0.00 C ATOM 1116 O ASN A 72 -1.119 -4.032 0.433 1.00 0.00 O ATOM 1117 CB ASN A 72 1.349 -5.842 1.530 1.00 0.00 C ATOM 1118 CG ASN A 72 2.080 -4.515 1.472 1.00 0.00 C ATOM 1119 OD1 ASN A 72 2.621 -4.047 2.474 1.00 0.00 O ATOM 1120 ND2 ASN A 72 2.098 -3.900 0.295 1.00 0.00 N ATOM 0 H ASN A 72 -0.021 -7.713 2.370 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.235 -4.915 2.649 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.824 -6.483 2.272 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.440 -6.346 0.568 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.574 -3.003 0.195 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.636 -4.325 -0.509 1.00 0.00 H new ATOM 1127 N ARG A 73 -1.330 -6.190 -0.169 1.00 0.00 N ATOM 1128 CA ARG A 73 -2.082 -5.892 -1.382 1.00 0.00 C ATOM 1129 C ARG A 73 -3.511 -5.475 -1.048 1.00 0.00 C ATOM 1130 O ARG A 73 -4.005 -4.463 -1.545 1.00 0.00 O ATOM 1131 CB ARG A 73 -2.098 -7.109 -2.309 1.00 0.00 C ATOM 1132 CG ARG A 73 -3.024 -6.951 -3.505 1.00 0.00 C ATOM 1133 CD ARG A 73 -2.494 -5.919 -4.487 1.00 0.00 C ATOM 1134 NE ARG A 73 -3.531 -5.454 -5.404 1.00 0.00 N ATOM 1135 CZ ARG A 73 -3.274 -4.887 -6.578 1.00 0.00 C ATOM 1136 NH1 ARG A 73 -2.020 -4.717 -6.975 1.00 0.00 N ATOM 1137 NH2 ARG A 73 -4.272 -4.490 -7.357 1.00 0.00 N ATOM 0 H ARG A 73 -1.164 -7.184 -0.009 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.590 -5.063 -1.890 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.085 -7.296 -2.666 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.402 -7.986 -1.738 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.136 -7.911 -4.009 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.015 -6.654 -3.162 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.089 -5.070 -3.937 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.672 -6.350 -5.058 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.506 -5.571 -5.128 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.251 -5.022 -6.379 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.825 -4.282 -7.877 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.238 -4.620 -7.055 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.074 -4.055 -8.258 1.00 0.00 H new ATOM 1151 N ARG A 74 -4.169 -6.262 -0.203 1.00 0.00 N ATOM 1152 CA ARG A 74 -5.542 -5.976 0.197 1.00 0.00 C ATOM 1153 C ARG A 74 -5.644 -4.597 0.842 1.00 0.00 C ATOM 1154 O ARG A 74 -6.580 -3.843 0.576 1.00 0.00 O ATOM 1155 CB ARG A 74 -6.046 -7.044 1.169 1.00 0.00 C ATOM 1156 CG ARG A 74 -6.020 -8.451 0.595 1.00 0.00 C ATOM 1157 CD ARG A 74 -7.093 -9.328 1.222 1.00 0.00 C ATOM 1158 NE ARG A 74 -6.767 -9.690 2.599 1.00 0.00 N ATOM 1159 CZ ARG A 74 -5.965 -10.698 2.923 1.00 0.00 C ATOM 1160 NH1 ARG A 74 -5.410 -11.440 1.975 1.00 0.00 N ATOM 1161 NH2 ARG A 74 -5.717 -10.966 4.199 1.00 0.00 N ATOM 0 H ARG A 74 -3.774 -7.103 0.218 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.164 -5.987 -0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.436 -7.018 2.072 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.066 -6.801 1.466 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.168 -8.408 -0.484 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.040 -8.896 0.764 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.048 -8.803 1.201 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.214 -10.234 0.628 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.178 -9.139 3.353 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.598 -11.238 0.993 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.795 -12.213 2.227 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.142 -10.398 4.931 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.101 -11.740 4.447 1.00 0.00 H new ATOM 1175 N LYS A 75 -4.674 -4.273 1.691 1.00 0.00 N ATOM 1176 CA LYS A 75 -4.653 -2.985 2.374 1.00 0.00 C ATOM 1177 C LYS A 75 -4.319 -1.859 1.401 1.00 0.00 C ATOM 1178 O LYS A 75 -4.800 -0.736 1.549 1.00 0.00 O ATOM 1179 CB LYS A 75 -3.634 -3.007 3.515 1.00 0.00 C ATOM 1180 CG LYS A 75 -2.241 -2.568 3.095 1.00 0.00 C ATOM 1181 CD LYS A 75 -1.177 -3.131 4.022 1.00 0.00 C ATOM 1182 CE LYS A 75 -1.220 -2.467 5.389 1.00 0.00 C ATOM 1183 NZ LYS A 75 0.071 -2.613 6.118 1.00 0.00 N ATOM 0 H LYS A 75 -3.892 -4.885 1.922 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.646 -2.803 2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.985 -2.357 4.317 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.580 -4.016 3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.047 -2.897 2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.186 -1.479 3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.322 -4.206 4.134 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.192 -2.987 3.577 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.453 -1.409 5.271 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.023 -2.906 5.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.001 -2.147 7.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.281 -3.623 6.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.834 -2.171 5.566 1.00 0.00 H new ATOM 1197 N GLU A 76 -3.493 -2.168 0.406 1.00 0.00 N ATOM 1198 CA GLU A 76 -3.097 -1.180 -0.591 1.00 0.00 C ATOM 1199 C GLU A 76 -4.262 -0.843 -1.516 1.00 0.00 C ATOM 1200 O GLU A 76 -4.401 0.295 -1.967 1.00 0.00 O ATOM 1201 CB GLU A 76 -1.913 -1.698 -1.411 1.00 0.00 C ATOM 1202 CG GLU A 76 -1.793 -1.052 -2.781 1.00 0.00 C ATOM 1203 CD GLU A 76 -1.388 0.407 -2.705 1.00 0.00 C ATOM 1204 OE1 GLU A 76 -2.119 1.193 -2.066 1.00 0.00 O ATOM 1205 OE2 GLU A 76 -0.341 0.764 -3.284 1.00 0.00 O ATOM 0 H GLU A 76 -3.086 -3.093 0.269 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.798 -0.272 -0.067 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.992 -1.524 -0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.011 -2.777 -1.534 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.059 -1.598 -3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.747 -1.134 -3.302 1.00 0.00 H new ATOM 1212 N ILE A 77 -5.096 -1.839 -1.795 1.00 0.00 N ATOM 1213 CA ILE A 77 -6.249 -1.648 -2.666 1.00 0.00 C ATOM 1214 C ILE A 77 -7.405 -0.999 -1.913 1.00 0.00 C ATOM 1215 O ILE A 77 -8.078 -0.109 -2.433 1.00 0.00 O ATOM 1216 CB ILE A 77 -6.728 -2.983 -3.267 1.00 0.00 C ATOM 1217 CG1 ILE A 77 -7.071 -3.975 -2.154 1.00 0.00 C ATOM 1218 CG2 ILE A 77 -5.664 -3.560 -4.189 1.00 0.00 C ATOM 1219 CD1 ILE A 77 -7.593 -5.300 -2.665 1.00 0.00 C ATOM 0 H ILE A 77 -4.995 -2.786 -1.431 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.929 -0.989 -3.473 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.628 -2.799 -3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.181 -4.153 -1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.818 -3.528 -1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.017 -4.503 -4.606 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.464 -2.858 -4.998 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.748 -3.733 -3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.815 -5.953 -1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.501 -5.134 -3.245 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -6.839 -5.768 -3.298 1.00 0.00 H new ATOM 1231 N LYS A 78 -7.630 -1.450 -0.683 1.00 0.00 N ATOM 1232 CA LYS A 78 -8.703 -0.913 0.145 1.00 0.00 C ATOM 1233 C LYS A 78 -8.407 0.528 0.551 1.00 0.00 C ATOM 1234 O LYS A 78 -9.308 1.366 0.601 1.00 0.00 O ATOM 1235 CB LYS A 78 -8.893 -1.777 1.393 1.00 0.00 C ATOM 1236 CG LYS A 78 -7.803 -1.589 2.435 1.00 0.00 C ATOM 1237 CD LYS A 78 -8.141 -0.465 3.399 1.00 0.00 C ATOM 1238 CE LYS A 78 -8.918 -0.977 4.603 1.00 0.00 C ATOM 1239 NZ LYS A 78 -8.059 -1.783 5.514 1.00 0.00 N ATOM 0 H LYS A 78 -7.083 -2.187 -0.238 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.622 -0.926 -0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.858 -1.544 1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.924 -2.826 1.097 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.665 -2.517 2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.857 -1.372 1.938 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.222 0.016 3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.728 0.295 2.882 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.337 -0.133 5.151 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.757 -1.584 4.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.514 -1.856 6.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.929 -2.735 5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.133 -1.321 5.616 1.00 0.00 H new ATOM 1253 N ARG A 79 -7.141 0.808 0.838 1.00 0.00 N ATOM 1254 CA ARG A 79 -6.727 2.148 1.239 1.00 0.00 C ATOM 1255 C ARG A 79 -6.973 3.152 0.117 1.00 0.00 C ATOM 1256 O ARG A 79 -7.389 4.284 0.364 1.00 0.00 O ATOM 1257 CB ARG A 79 -5.247 2.153 1.627 1.00 0.00 C ATOM 1258 CG ARG A 79 -5.002 1.862 3.099 1.00 0.00 C ATOM 1259 CD ARG A 79 -3.745 2.554 3.601 1.00 0.00 C ATOM 1260 NE ARG A 79 -4.002 3.935 4.001 1.00 0.00 N ATOM 1261 CZ ARG A 79 -4.698 4.269 5.082 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -5.203 3.328 5.867 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -4.890 5.548 5.380 1.00 0.00 N ATOM 0 H ARG A 79 -6.384 0.126 0.801 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.323 2.442 2.103 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.720 1.412 1.026 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.819 3.125 1.381 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.860 2.193 3.684 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.911 0.786 3.248 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -3.341 2.001 4.449 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.986 2.539 2.819 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.627 4.684 3.419 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.058 2.344 5.642 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -5.737 3.588 6.696 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.503 6.275 4.779 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.425 5.804 6.210 1.00 0.00 H new ATOM 1277 N ARG A 80 -6.713 2.729 -1.116 1.00 0.00 N ATOM 1278 CA ARG A 80 -6.904 3.591 -2.276 1.00 0.00 C ATOM 1279 C ARG A 80 -8.387 3.744 -2.601 1.00 0.00 C ATOM 1280 O ARG A 80 -8.806 4.745 -3.181 1.00 0.00 O ATOM 1281 CB ARG A 80 -6.161 3.025 -3.487 1.00 0.00 C ATOM 1282 CG ARG A 80 -6.028 4.012 -4.635 1.00 0.00 C ATOM 1283 CD ARG A 80 -5.964 3.299 -5.977 1.00 0.00 C ATOM 1284 NE ARG A 80 -5.326 4.120 -7.003 1.00 0.00 N ATOM 1285 CZ ARG A 80 -5.959 5.069 -7.684 1.00 0.00 C ATOM 1286 NH1 ARG A 80 -7.240 5.316 -7.448 1.00 0.00 N ATOM 1287 NH2 ARG A 80 -5.310 5.774 -8.602 1.00 0.00 N ATOM 0 H ARG A 80 -6.369 1.794 -1.337 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.499 4.574 -2.037 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.166 2.706 -3.176 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -6.684 2.137 -3.841 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -6.875 4.698 -4.626 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -5.129 4.613 -4.498 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -5.413 2.365 -5.865 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -6.973 3.038 -6.297 1.00 0.00 H new ATOM 0 HE ARG A 80 -4.340 3.956 -7.208 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.742 4.777 -6.742 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -7.724 6.045 -7.972 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -4.324 5.588 -8.785 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -5.797 6.502 -9.124 1.00 0.00 H new ATOM 1301 N ALA A 81 -9.176 2.743 -2.223 1.00 0.00 N ATOM 1302 CA ALA A 81 -10.612 2.766 -2.473 1.00 0.00 C ATOM 1303 C ALA A 81 -11.327 3.681 -1.485 1.00 0.00 C ATOM 1304 O ALA A 81 -12.429 4.158 -1.751 1.00 0.00 O ATOM 1305 CB ALA A 81 -11.183 1.358 -2.400 1.00 0.00 C ATOM 0 H ALA A 81 -8.845 1.906 -1.743 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.775 3.161 -3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.256 1.390 -2.589 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.701 0.731 -3.150 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.001 0.943 -1.409 1.00 0.00 H new ATOM 1311 N ASN A 82 -10.692 3.921 -0.342 1.00 0.00 N ATOM 1312 CA ASN A 82 -11.268 4.778 0.688 1.00 0.00 C ATOM 1313 C ASN A 82 -10.590 6.144 0.701 1.00 0.00 C ATOM 1314 O ASN A 82 -11.240 7.173 0.512 1.00 0.00 O ATOM 1315 CB ASN A 82 -11.137 4.118 2.062 1.00 0.00 C ATOM 1316 CG ASN A 82 -12.207 4.583 3.031 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -13.259 5.077 2.622 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -11.943 4.429 4.323 1.00 0.00 N ATOM 0 H ASN A 82 -9.778 3.534 -0.106 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.324 4.919 0.459 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -11.198 3.036 1.949 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.154 4.340 2.477 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.625 4.725 5.022 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -11.058 4.015 4.617 1.00 0.00 H new ATOM 1325 N ILE A 83 -9.280 6.146 0.923 1.00 0.00 N ATOM 1326 CA ILE A 83 -8.513 7.385 0.959 1.00 0.00 C ATOM 1327 C ILE A 83 -9.020 8.314 2.057 1.00 0.00 C ATOM 1328 O ILE A 83 -9.279 9.493 1.817 1.00 0.00 O ATOM 1329 CB ILE A 83 -8.574 8.124 -0.391 1.00 0.00 C ATOM 1330 CG1 ILE A 83 -8.476 7.127 -1.548 1.00 0.00 C ATOM 1331 CG2 ILE A 83 -7.462 9.159 -0.480 1.00 0.00 C ATOM 1332 CD1 ILE A 83 -8.936 7.692 -2.873 1.00 0.00 C ATOM 0 H ILE A 83 -8.727 5.303 1.081 1.00 0.00 H new ATOM 0 HA ILE A 83 -7.479 7.110 1.168 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.531 8.641 -0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -7.442 6.794 -1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -9.074 6.247 -1.310 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.519 9.672 -1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -7.574 9.884 0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -6.495 8.663 -0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -8.839 6.930 -3.647 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.979 7.999 -2.795 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.322 8.554 -3.134 1.00 0.00 H new ATOM 1344 N ALA A 84 -9.158 7.774 3.264 1.00 0.00 N ATOM 1345 CA ALA A 84 -9.630 8.555 4.401 1.00 0.00 C ATOM 1346 C ALA A 84 -8.735 9.765 4.645 1.00 0.00 C ATOM 1347 O ALA A 84 -9.082 10.661 5.413 1.00 0.00 O ATOM 1348 CB ALA A 84 -9.698 7.685 5.647 1.00 0.00 C ATOM 0 H ALA A 84 -8.950 6.799 3.479 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.632 8.918 4.171 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.052 8.281 6.488 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.385 6.856 5.475 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.706 7.293 5.872 1.00 0.00 H new ATOM 1354 N ALA A 85 -7.580 9.783 3.988 1.00 0.00 N ATOM 1355 CA ALA A 85 -6.635 10.884 4.133 1.00 0.00 C ATOM 1356 C ALA A 85 -6.015 11.256 2.791 1.00 0.00 C ATOM 1357 O ALA A 85 -6.058 10.476 1.839 1.00 0.00 O ATOM 1358 CB ALA A 85 -5.550 10.519 5.135 1.00 0.00 C ATOM 0 H ALA A 85 -7.276 9.048 3.350 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.180 11.752 4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.851 11.350 5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.004 10.310 6.103 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.016 9.635 4.787 1.00 0.00 H new ATOM 1364 N ILE A 86 -5.439 12.452 2.722 1.00 0.00 N ATOM 1365 CA ILE A 86 -4.810 12.926 1.495 1.00 0.00 C ATOM 1366 C ILE A 86 -4.012 11.815 0.822 1.00 0.00 C ATOM 1367 O ILE A 86 -3.803 11.834 -0.392 1.00 0.00 O ATOM 1368 CB ILE A 86 -3.878 14.121 1.767 1.00 0.00 C ATOM 1369 CG1 ILE A 86 -4.643 15.244 2.470 1.00 0.00 C ATOM 1370 CG2 ILE A 86 -3.266 14.623 0.467 1.00 0.00 C ATOM 1371 CD1 ILE A 86 -5.831 15.751 1.682 1.00 0.00 C ATOM 0 H ILE A 86 -5.395 13.110 3.500 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.613 13.246 0.831 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.072 13.791 2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.987 14.886 3.440 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.962 16.074 2.659 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.610 15.468 0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.690 13.822 0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.059 14.939 -0.210 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.326 16.546 2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -5.492 16.139 0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.533 14.934 1.515 1.00 0.00 H new ATOM 1383 N LEU A 87 -3.568 10.848 1.617 1.00 0.00 N ATOM 1384 CA LEU A 87 -2.794 9.726 1.097 1.00 0.00 C ATOM 1385 C LEU A 87 -3.298 9.307 -0.280 1.00 0.00 C ATOM 1386 O LEU A 87 -4.503 9.215 -0.508 1.00 0.00 O ATOM 1387 CB LEU A 87 -2.866 8.541 2.062 1.00 0.00 C ATOM 1388 CG LEU A 87 -1.652 7.612 2.076 1.00 0.00 C ATOM 1389 CD1 LEU A 87 -0.514 8.233 2.870 1.00 0.00 C ATOM 1390 CD2 LEU A 87 -2.026 6.253 2.651 1.00 0.00 C ATOM 0 H LEU A 87 -3.730 10.818 2.624 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.757 10.046 1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.014 8.928 3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.748 7.950 1.815 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.316 7.470 1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.341 7.557 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.228 9.181 2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.838 8.406 3.896 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.149 5.605 2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.388 6.377 3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.809 5.803 2.041 1.00 0.00 H new ATOM 1402 N GLU A 88 -2.366 9.053 -1.194 1.00 0.00 N ATOM 1403 CA GLU A 88 -2.717 8.643 -2.548 1.00 0.00 C ATOM 1404 C GLU A 88 -1.810 7.513 -3.026 1.00 0.00 C ATOM 1405 O GLU A 88 -0.632 7.457 -2.674 1.00 0.00 O ATOM 1406 CB GLU A 88 -2.618 9.831 -3.507 1.00 0.00 C ATOM 1407 CG GLU A 88 -3.155 9.538 -4.897 1.00 0.00 C ATOM 1408 CD GLU A 88 -3.061 10.735 -5.824 1.00 0.00 C ATOM 1409 OE1 GLU A 88 -3.189 11.876 -5.333 1.00 0.00 O ATOM 1410 OE2 GLU A 88 -2.860 10.531 -7.039 1.00 0.00 O ATOM 0 H GLU A 88 -1.363 9.124 -1.021 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.745 8.281 -2.535 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.166 10.674 -3.085 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.575 10.137 -3.587 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.600 8.705 -5.328 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.196 9.223 -4.821 1.00 0.00 H new ATOM 1417 N SER A 89 -2.368 6.614 -3.831 1.00 0.00 N ATOM 1418 CA SER A 89 -1.612 5.482 -4.354 1.00 0.00 C ATOM 1419 C SER A 89 -1.950 5.236 -5.821 1.00 0.00 C ATOM 1420 O SER A 89 -3.021 5.613 -6.295 1.00 0.00 O ATOM 1421 CB SER A 89 -1.903 4.224 -3.534 1.00 0.00 C ATOM 1422 OG SER A 89 -1.387 3.069 -4.172 1.00 0.00 O ATOM 0 H SER A 89 -3.341 6.648 -4.135 1.00 0.00 H new ATOM 0 HA SER A 89 -0.551 5.719 -4.278 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.462 4.323 -2.542 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.979 4.117 -3.396 1.00 0.00 H new ATOM 0 HG SER A 89 -0.763 2.613 -3.569 1.00 0.00 H new ATOM 1428 N SER A 90 -1.027 4.600 -6.536 1.00 0.00 N ATOM 1429 CA SER A 90 -1.223 4.305 -7.950 1.00 0.00 C ATOM 1430 C SER A 90 -1.656 2.856 -8.148 1.00 0.00 C ATOM 1431 O SER A 90 -1.112 1.943 -7.528 1.00 0.00 O ATOM 1432 CB SER A 90 0.063 4.577 -8.733 1.00 0.00 C ATOM 1433 OG SER A 90 -0.165 4.504 -10.130 1.00 0.00 O ATOM 0 H SER A 90 -0.135 4.279 -6.158 1.00 0.00 H new ATOM 0 HA SER A 90 -2.013 4.956 -8.325 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.448 5.564 -8.475 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.826 3.853 -8.448 1.00 0.00 H new ATOM 0 HG SER A 90 0.672 4.683 -10.608 1.00 0.00 H new ATOM 1439 N GLY A 91 -2.640 2.652 -9.019 1.00 0.00 N ATOM 1440 CA GLY A 91 -3.130 1.312 -9.285 1.00 0.00 C ATOM 1441 C GLY A 91 -2.844 0.860 -10.703 1.00 0.00 C ATOM 1442 O GLY A 91 -2.900 1.644 -11.650 1.00 0.00 O ATOM 0 H GLY A 91 -3.106 3.391 -9.545 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.670 0.615 -8.585 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.205 1.280 -9.107 1.00 0.00 H new ATOM 1446 N PRO A 92 -2.526 -0.433 -10.863 1.00 0.00 N ATOM 1447 CA PRO A 92 -2.222 -1.018 -12.172 1.00 0.00 C ATOM 1448 C PRO A 92 -3.453 -1.108 -13.067 1.00 0.00 C ATOM 1449 O PRO A 92 -4.391 -1.850 -12.775 1.00 0.00 O ATOM 1450 CB PRO A 92 -1.709 -2.417 -11.826 1.00 0.00 C ATOM 1451 CG PRO A 92 -2.331 -2.734 -10.510 1.00 0.00 C ATOM 1452 CD PRO A 92 -2.440 -1.425 -9.778 1.00 0.00 C ATOM 0 HA PRO A 92 -1.508 -0.414 -12.732 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.998 -3.144 -12.586 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.621 -2.436 -11.764 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.312 -3.190 -10.642 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -1.722 -3.444 -9.951 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -3.321 -1.396 -9.136 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.574 -1.248 -9.140 1.00 0.00 H new ATOM 1460 N SER A 93 -3.444 -0.349 -14.158 1.00 0.00 N ATOM 1461 CA SER A 93 -4.562 -0.341 -15.094 1.00 0.00 C ATOM 1462 C SER A 93 -4.590 -1.625 -15.917 1.00 0.00 C ATOM 1463 O SER A 93 -3.634 -1.944 -16.624 1.00 0.00 O ATOM 1464 CB SER A 93 -4.469 0.872 -16.022 1.00 0.00 C ATOM 1465 OG SER A 93 -5.694 1.090 -16.699 1.00 0.00 O ATOM 0 H SER A 93 -2.674 0.269 -14.416 1.00 0.00 H new ATOM 0 HA SER A 93 -5.486 -0.279 -14.519 1.00 0.00 H new ATOM 0 HB2 SER A 93 -4.207 1.758 -15.443 1.00 0.00 H new ATOM 0 HB3 SER A 93 -3.671 0.718 -16.748 1.00 0.00 H new ATOM 0 HG SER A 93 -5.610 1.871 -17.284 1.00 0.00 H new ATOM 1471 N SER A 94 -5.694 -2.359 -15.820 1.00 0.00 N ATOM 1472 CA SER A 94 -5.847 -3.610 -16.552 1.00 0.00 C ATOM 1473 C SER A 94 -6.494 -3.369 -17.913 1.00 0.00 C ATOM 1474 O SER A 94 -5.881 -3.599 -18.954 1.00 0.00 O ATOM 1475 CB SER A 94 -6.688 -4.599 -15.743 1.00 0.00 C ATOM 1476 OG SER A 94 -6.912 -5.794 -16.472 1.00 0.00 O ATOM 0 H SER A 94 -6.496 -2.108 -15.241 1.00 0.00 H new ATOM 0 HA SER A 94 -4.855 -4.032 -16.711 1.00 0.00 H new ATOM 0 HB2 SER A 94 -6.182 -4.830 -14.806 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.643 -4.142 -15.485 1.00 0.00 H new ATOM 0 HG SER A 94 -7.450 -6.410 -15.933 1.00 0.00 H new ATOM 1482 N GLY A 95 -7.740 -2.902 -17.894 1.00 0.00 N ATOM 1483 CA GLY A 95 -8.451 -2.637 -19.131 1.00 0.00 C ATOM 1484 C GLY A 95 -8.848 -1.181 -19.270 1.00 0.00 C ATOM 1485 O GLY A 95 -8.865 -0.438 -18.289 1.00 0.00 O ATOM 0 H GLY A 95 -8.268 -2.703 -17.045 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.823 -2.922 -19.976 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.344 -3.260 -19.174 1.00 0.00 H new TER 1489 GLY A 95