USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=24 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+ -150:sc= 0.367 (180deg=-0.152) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.09 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -116:sc= 0.436 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc=-0.000972 USER MOD Single : A 13 THR OG1 : rot -49:sc= 0.14 USER MOD Single : A 16 LYS NZ :NH3+ 154:sc= -0.11 (180deg=-0.571) USER MOD Single : A 18 CYS SG : rot -63:sc= -1.8 USER MOD Single : A 22 MET CE :methyl 157:sc= -6.39! (180deg=-6.95!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 30:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.914 K(o=0.91,f=-0.31) USER MOD Single : A 29 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.8!) USER MOD Single : A 30 GLN : amide:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 1.22 K(o=1.2,f=-0.067) USER MOD Single : A 44 CYS SG : rot -92:sc= -1.08 USER MOD Single : A 45 ASN : amide:sc= -0.157 K(o=-0.16,f=-12!) 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+ -119:sc= -0.11 (180deg=-0.4) 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= -0.0547 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.147 X(o=0.15,f=0) USER MOD Single : A 72 ASN : amide:sc= 0.0752 X(o=0.075,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -2.12! K(o=-2.1!,f=-0.84) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.0502 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 20.697 12.831 2.189 1.00 0.00 N ATOM 2 CA GLY A 1 20.679 11.670 1.318 1.00 0.00 C ATOM 3 C GLY A 1 19.672 10.628 1.762 1.00 0.00 C ATOM 4 O GLY A 1 18.877 10.870 2.671 1.00 0.00 O ATOM 0 H1 GLY A 1 20.507 13.687 1.630 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.967 12.727 2.922 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.631 12.912 2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.446 11.986 0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.673 11.223 1.293 1.00 0.00 H new ATOM 8 N SER A 2 19.704 9.465 1.120 1.00 0.00 N ATOM 9 CA SER A 2 18.782 8.384 1.450 1.00 0.00 C ATOM 10 C SER A 2 19.294 7.579 2.641 1.00 0.00 C ATOM 11 O SER A 2 20.491 7.570 2.930 1.00 0.00 O ATOM 12 CB SER A 2 18.589 7.463 0.243 1.00 0.00 C ATOM 13 OG SER A 2 17.363 6.758 0.331 1.00 0.00 O ATOM 0 H SER A 2 20.358 9.247 0.368 1.00 0.00 H new ATOM 0 HA SER A 2 17.822 8.827 1.717 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.609 8.051 -0.674 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.416 6.755 0.186 1.00 0.00 H new ATOM 0 HG SER A 2 17.262 6.178 -0.452 1.00 0.00 H new ATOM 19 N SER A 3 18.379 6.904 3.328 1.00 0.00 N ATOM 20 CA SER A 3 18.735 6.098 4.490 1.00 0.00 C ATOM 21 C SER A 3 18.852 4.624 4.114 1.00 0.00 C ATOM 22 O SER A 3 19.839 3.965 4.439 1.00 0.00 O ATOM 23 CB SER A 3 17.694 6.273 5.597 1.00 0.00 C ATOM 24 OG SER A 3 17.696 7.600 6.094 1.00 0.00 O ATOM 0 H SER A 3 17.385 6.899 3.100 1.00 0.00 H new ATOM 0 HA SER A 3 19.704 6.440 4.855 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.704 6.027 5.212 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.902 5.577 6.409 1.00 0.00 H new ATOM 0 HG SER A 3 17.021 7.686 6.799 1.00 0.00 H new ATOM 30 N GLY A 4 17.835 4.113 3.427 1.00 0.00 N ATOM 31 CA GLY A 4 17.842 2.720 3.018 1.00 0.00 C ATOM 32 C GLY A 4 16.512 2.036 3.267 1.00 0.00 C ATOM 33 O GLY A 4 15.583 2.645 3.798 1.00 0.00 O ATOM 0 H GLY A 4 17.007 4.638 3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.087 2.657 1.958 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.626 2.190 3.558 1.00 0.00 H new ATOM 37 N SER A 5 16.419 0.768 2.881 1.00 0.00 N ATOM 38 CA SER A 5 15.191 0.002 3.060 1.00 0.00 C ATOM 39 C SER A 5 15.005 -0.391 4.523 1.00 0.00 C ATOM 40 O SER A 5 15.970 -0.701 5.222 1.00 0.00 O ATOM 41 CB SER A 5 15.214 -1.251 2.183 1.00 0.00 C ATOM 42 OG SER A 5 13.903 -1.739 1.958 1.00 0.00 O ATOM 0 H SER A 5 17.179 0.249 2.442 1.00 0.00 H new ATOM 0 HA SER A 5 14.353 0.631 2.761 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.689 -1.023 1.229 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.816 -2.023 2.662 1.00 0.00 H new ATOM 0 HG SER A 5 13.810 -2.626 2.364 1.00 0.00 H new ATOM 48 N SER A 6 13.757 -0.375 4.979 1.00 0.00 N ATOM 49 CA SER A 6 13.443 -0.726 6.359 1.00 0.00 C ATOM 50 C SER A 6 12.556 -1.966 6.416 1.00 0.00 C ATOM 51 O SER A 6 11.520 -2.034 5.756 1.00 0.00 O ATOM 52 CB SER A 6 12.748 0.444 7.059 1.00 0.00 C ATOM 53 OG SER A 6 13.666 1.484 7.348 1.00 0.00 O ATOM 0 H SER A 6 12.947 -0.123 4.413 1.00 0.00 H new ATOM 0 HA SER A 6 14.378 -0.945 6.874 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.948 0.827 6.426 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.285 0.096 7.983 1.00 0.00 H new ATOM 0 HG SER A 6 13.197 2.220 7.793 1.00 0.00 H new ATOM 59 N GLY A 7 12.973 -2.948 7.211 1.00 0.00 N ATOM 60 CA GLY A 7 12.206 -4.173 7.341 1.00 0.00 C ATOM 61 C GLY A 7 12.365 -5.086 6.141 1.00 0.00 C ATOM 62 O GLY A 7 13.356 -5.807 6.028 1.00 0.00 O ATOM 0 H GLY A 7 13.828 -2.916 7.767 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.521 -4.702 8.240 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.152 -3.926 7.469 1.00 0.00 H new ATOM 66 N ARG A 8 11.386 -5.056 5.243 1.00 0.00 N ATOM 67 CA ARG A 8 11.420 -5.889 4.047 1.00 0.00 C ATOM 68 C ARG A 8 12.575 -5.484 3.135 1.00 0.00 C ATOM 69 O ARG A 8 12.749 -4.307 2.822 1.00 0.00 O ATOM 70 CB ARG A 8 10.096 -5.784 3.288 1.00 0.00 C ATOM 71 CG ARG A 8 10.096 -6.521 1.959 1.00 0.00 C ATOM 72 CD ARG A 8 8.681 -6.767 1.458 1.00 0.00 C ATOM 73 NE ARG A 8 8.134 -5.601 0.770 1.00 0.00 N ATOM 74 CZ ARG A 8 7.013 -5.627 0.058 1.00 0.00 C ATOM 75 NH1 ARG A 8 6.324 -6.754 -0.060 1.00 0.00 N ATOM 76 NH2 ARG A 8 6.579 -4.525 -0.539 1.00 0.00 N ATOM 0 H ARG A 8 10.559 -4.464 5.321 1.00 0.00 H new ATOM 0 HA ARG A 8 11.571 -6.922 4.359 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.296 -6.180 3.913 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.871 -4.732 3.111 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.649 -5.941 1.220 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.615 -7.473 2.070 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.679 -7.621 0.781 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.038 -7.026 2.299 1.00 0.00 H new ATOM 0 HE ARG A 8 8.640 -4.718 0.840 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.655 -7.604 0.397 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.464 -6.771 -0.607 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.106 -3.656 -0.452 1.00 0.00 H new ATOM 0 HH22 ARG A 8 5.718 -4.546 -1.085 1.00 0.00 H new ATOM 90 N GLY A 9 13.363 -6.468 2.713 1.00 0.00 N ATOM 91 CA GLY A 9 14.491 -6.194 1.842 1.00 0.00 C ATOM 92 C GLY A 9 15.736 -6.956 2.249 1.00 0.00 C ATOM 93 O GLY A 9 16.101 -7.946 1.616 1.00 0.00 O ATOM 0 H GLY A 9 13.240 -7.450 2.959 1.00 0.00 H new ATOM 0 HA2 GLY A 9 14.227 -6.456 0.817 1.00 0.00 H new ATOM 0 HA3 GLY A 9 14.703 -5.125 1.853 1.00 0.00 H new ATOM 97 N SER A 10 16.391 -6.492 3.309 1.00 0.00 N ATOM 98 CA SER A 10 17.607 -7.133 3.797 1.00 0.00 C ATOM 99 C SER A 10 17.286 -8.462 4.474 1.00 0.00 C ATOM 100 O SER A 10 17.980 -9.458 4.273 1.00 0.00 O ATOM 101 CB SER A 10 18.337 -6.212 4.776 1.00 0.00 C ATOM 102 OG SER A 10 17.517 -5.898 5.888 1.00 0.00 O ATOM 0 H SER A 10 16.100 -5.675 3.846 1.00 0.00 H new ATOM 0 HA SER A 10 18.254 -7.328 2.942 1.00 0.00 H new ATOM 0 HB2 SER A 10 19.252 -6.694 5.120 1.00 0.00 H new ATOM 0 HB3 SER A 10 18.631 -5.294 4.267 1.00 0.00 H new ATOM 0 HG SER A 10 18.007 -5.310 6.500 1.00 0.00 H new ATOM 108 N ARG A 11 16.228 -8.468 5.279 1.00 0.00 N ATOM 109 CA ARG A 11 15.814 -9.673 5.988 1.00 0.00 C ATOM 110 C ARG A 11 15.256 -10.710 5.018 1.00 0.00 C ATOM 111 O ARG A 11 15.692 -11.861 5.006 1.00 0.00 O ATOM 112 CB ARG A 11 14.764 -9.332 7.047 1.00 0.00 C ATOM 113 CG ARG A 11 15.357 -8.842 8.357 1.00 0.00 C ATOM 114 CD ARG A 11 14.291 -8.243 9.262 1.00 0.00 C ATOM 115 NE ARG A 11 14.779 -8.042 10.624 1.00 0.00 N ATOM 116 CZ ARG A 11 15.088 -9.036 11.448 1.00 0.00 C ATOM 117 NH1 ARG A 11 14.960 -10.295 11.051 1.00 0.00 N ATOM 118 NH2 ARG A 11 15.525 -8.773 12.673 1.00 0.00 N ATOM 0 H ARG A 11 15.642 -7.652 5.456 1.00 0.00 H new ATOM 0 HA ARG A 11 16.691 -10.095 6.479 1.00 0.00 H new ATOM 0 HB2 ARG A 11 14.097 -8.566 6.651 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.156 -10.216 7.241 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.846 -9.671 8.869 1.00 0.00 H new ATOM 0 HG3 ARG A 11 16.125 -8.095 8.153 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.961 -7.289 8.851 1.00 0.00 H new ATOM 0 HD3 ARG A 11 13.421 -8.900 9.282 1.00 0.00 H new ATOM 0 HE ARG A 11 14.888 -7.085 10.961 1.00 0.00 H new ATOM 0 HH11 ARG A 11 14.623 -10.501 10.111 1.00 0.00 H new ATOM 0 HH12 ARG A 11 15.198 -11.057 11.686 1.00 0.00 H new ATOM 0 HH21 ARG A 11 15.624 -7.806 12.983 1.00 0.00 H new ATOM 0 HH22 ARG A 11 15.762 -9.538 13.305 1.00 0.00 H new ATOM 132 N PHE A 12 14.289 -10.294 4.207 1.00 0.00 N ATOM 133 CA PHE A 12 13.671 -11.187 3.234 1.00 0.00 C ATOM 134 C PHE A 12 13.348 -10.443 1.941 1.00 0.00 C ATOM 135 O PHE A 12 12.981 -9.268 1.962 1.00 0.00 O ATOM 136 CB PHE A 12 12.395 -11.802 3.814 1.00 0.00 C ATOM 137 CG PHE A 12 11.679 -12.710 2.856 1.00 0.00 C ATOM 138 CD1 PHE A 12 12.158 -13.985 2.599 1.00 0.00 C ATOM 139 CD2 PHE A 12 10.526 -12.290 2.213 1.00 0.00 C ATOM 140 CE1 PHE A 12 11.501 -14.823 1.719 1.00 0.00 C ATOM 141 CE2 PHE A 12 9.864 -13.125 1.332 1.00 0.00 C ATOM 142 CZ PHE A 12 10.353 -14.392 1.084 1.00 0.00 C ATOM 0 H PHE A 12 13.917 -9.344 4.204 1.00 0.00 H new ATOM 0 HA PHE A 12 14.380 -11.983 3.007 1.00 0.00 H new ATOM 0 HB2 PHE A 12 12.648 -12.363 4.714 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.720 -11.001 4.117 1.00 0.00 H new ATOM 0 HD1 PHE A 12 13.056 -14.327 3.093 1.00 0.00 H new ATOM 0 HD2 PHE A 12 10.140 -11.299 2.402 1.00 0.00 H new ATOM 0 HE1 PHE A 12 11.885 -15.814 1.528 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.965 -12.786 0.838 1.00 0.00 H new ATOM 0 HZ PHE A 12 9.839 -15.045 0.395 1.00 0.00 H new ATOM 152 N THR A 13 13.487 -11.137 0.816 1.00 0.00 N ATOM 153 CA THR A 13 13.213 -10.544 -0.487 1.00 0.00 C ATOM 154 C THR A 13 12.183 -11.362 -1.258 1.00 0.00 C ATOM 155 O THR A 13 12.072 -12.573 -1.069 1.00 0.00 O ATOM 156 CB THR A 13 14.495 -10.426 -1.332 1.00 0.00 C ATOM 157 OG1 THR A 13 15.602 -10.072 -0.496 1.00 0.00 O ATOM 158 CG2 THR A 13 14.328 -9.384 -2.428 1.00 0.00 C ATOM 0 H THR A 13 13.788 -12.111 0.781 1.00 0.00 H new ATOM 0 HA THR A 13 12.816 -9.546 -0.302 1.00 0.00 H new ATOM 0 HB THR A 13 14.686 -11.393 -1.798 1.00 0.00 H new ATOM 0 HG1 THR A 13 15.358 -9.305 0.063 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.247 -9.319 -3.011 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.503 -9.671 -3.081 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.114 -8.414 -1.979 1.00 0.00 H new ATOM 166 N TRP A 14 11.434 -10.693 -2.126 1.00 0.00 N ATOM 167 CA TRP A 14 10.413 -11.360 -2.927 1.00 0.00 C ATOM 168 C TRP A 14 10.885 -11.547 -4.364 1.00 0.00 C ATOM 169 O TRP A 14 11.135 -10.574 -5.077 1.00 0.00 O ATOM 170 CB TRP A 14 9.112 -10.555 -2.904 1.00 0.00 C ATOM 171 CG TRP A 14 8.235 -10.877 -1.732 1.00 0.00 C ATOM 172 CD1 TRP A 14 7.853 -10.024 -0.736 1.00 0.00 C ATOM 173 CD2 TRP A 14 7.633 -12.141 -1.434 1.00 0.00 C ATOM 174 NE1 TRP A 14 7.049 -10.682 0.163 1.00 0.00 N ATOM 175 CE2 TRP A 14 6.898 -11.981 -0.242 1.00 0.00 C ATOM 176 CE3 TRP A 14 7.641 -13.391 -2.057 1.00 0.00 C ATOM 177 CZ2 TRP A 14 6.182 -13.026 0.336 1.00 0.00 C ATOM 178 CZ3 TRP A 14 6.929 -14.427 -1.483 1.00 0.00 C ATOM 179 CH2 TRP A 14 6.207 -14.239 -0.297 1.00 0.00 C ATOM 0 H TRP A 14 11.514 -9.690 -2.294 1.00 0.00 H new ATOM 0 HA TRP A 14 10.231 -12.344 -2.494 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.351 -9.492 -2.888 1.00 0.00 H new ATOM 0 HB3 TRP A 14 8.560 -10.744 -3.825 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.141 -8.985 -0.666 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.632 -10.269 0.997 1.00 0.00 H new ATOM 0 HE3 TRP A 14 8.194 -13.545 -2.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.627 -12.884 1.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 6.929 -15.398 -1.956 1.00 0.00 H new ATOM 0 HH2 TRP A 14 5.659 -15.068 0.126 1.00 0.00 H new ATOM 190 N ARG A 15 11.004 -12.802 -4.785 1.00 0.00 N ATOM 191 CA ARG A 15 11.447 -13.115 -6.138 1.00 0.00 C ATOM 192 C ARG A 15 10.286 -13.025 -7.125 1.00 0.00 C ATOM 193 O ARG A 15 9.139 -13.309 -6.779 1.00 0.00 O ATOM 194 CB ARG A 15 12.062 -14.515 -6.185 1.00 0.00 C ATOM 195 CG ARG A 15 13.070 -14.775 -5.078 1.00 0.00 C ATOM 196 CD ARG A 15 14.449 -14.252 -5.447 1.00 0.00 C ATOM 197 NE ARG A 15 14.993 -14.926 -6.623 1.00 0.00 N ATOM 198 CZ ARG A 15 16.247 -14.782 -7.038 1.00 0.00 C ATOM 199 NH1 ARG A 15 17.082 -13.993 -6.376 1.00 0.00 N ATOM 200 NH2 ARG A 15 16.668 -15.429 -8.118 1.00 0.00 N ATOM 0 H ARG A 15 10.800 -13.618 -4.209 1.00 0.00 H new ATOM 0 HA ARG A 15 12.203 -12.383 -6.424 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.265 -15.255 -6.120 1.00 0.00 H new ATOM 0 HB3 ARG A 15 12.550 -14.656 -7.149 1.00 0.00 H new ATOM 0 HG2 ARG A 15 12.733 -14.298 -4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 15 13.127 -15.845 -4.880 1.00 0.00 H new ATOM 0 HD2 ARG A 15 14.391 -13.180 -5.638 1.00 0.00 H new ATOM 0 HD3 ARG A 15 15.126 -14.390 -4.604 1.00 0.00 H new ATOM 0 HE ARG A 15 14.377 -15.541 -7.155 1.00 0.00 H new ATOM 0 HH11 ARG A 15 16.762 -13.494 -5.546 1.00 0.00 H new ATOM 0 HH12 ARG A 15 18.044 -13.885 -6.697 1.00 0.00 H new ATOM 0 HH21 ARG A 15 16.029 -16.037 -8.630 1.00 0.00 H new ATOM 0 HH22 ARG A 15 17.631 -15.318 -8.436 1.00 0.00 H new ATOM 214 N LYS A 16 10.592 -12.626 -8.355 1.00 0.00 N ATOM 215 CA LYS A 16 9.576 -12.497 -9.393 1.00 0.00 C ATOM 216 C LYS A 16 8.823 -13.810 -9.582 1.00 0.00 C ATOM 217 O LYS A 16 7.641 -13.814 -9.923 1.00 0.00 O ATOM 218 CB LYS A 16 10.219 -12.071 -10.715 1.00 0.00 C ATOM 219 CG LYS A 16 10.455 -10.575 -10.821 1.00 0.00 C ATOM 220 CD LYS A 16 9.224 -9.852 -11.340 1.00 0.00 C ATOM 221 CE LYS A 16 9.597 -8.580 -12.086 1.00 0.00 C ATOM 222 NZ LYS A 16 10.363 -8.870 -13.329 1.00 0.00 N ATOM 0 H LYS A 16 11.536 -12.386 -8.657 1.00 0.00 H new ATOM 0 HA LYS A 16 8.866 -11.732 -9.079 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.171 -12.590 -10.830 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.581 -12.389 -11.539 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.726 -10.178 -9.843 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.297 -10.385 -11.486 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.665 -10.513 -12.003 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.567 -9.606 -10.506 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.691 -8.028 -12.338 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.191 -7.938 -11.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.225 -8.097 -14.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.374 -8.955 -13.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.026 -9.762 -13.744 1.00 0.00 H new ATOM 236 N GLU A 17 9.515 -14.923 -9.356 1.00 0.00 N ATOM 237 CA GLU A 17 8.909 -16.241 -9.501 1.00 0.00 C ATOM 238 C GLU A 17 7.817 -16.456 -8.458 1.00 0.00 C ATOM 239 O GLU A 17 6.726 -16.933 -8.774 1.00 0.00 O ATOM 240 CB GLU A 17 9.974 -17.333 -9.374 1.00 0.00 C ATOM 241 CG GLU A 17 11.225 -17.062 -10.192 1.00 0.00 C ATOM 242 CD GLU A 17 10.912 -16.662 -11.621 1.00 0.00 C ATOM 243 OE1 GLU A 17 10.625 -15.469 -11.855 1.00 0.00 O ATOM 244 OE2 GLU A 17 10.954 -17.543 -12.506 1.00 0.00 O ATOM 0 H GLU A 17 10.495 -14.938 -9.072 1.00 0.00 H new ATOM 0 HA GLU A 17 8.457 -16.298 -10.491 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.252 -17.438 -8.325 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.545 -18.285 -9.687 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.802 -16.270 -9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.852 -17.954 -10.197 1.00 0.00 H new ATOM 251 N CYS A 18 8.118 -16.102 -7.213 1.00 0.00 N ATOM 252 CA CYS A 18 7.163 -16.257 -6.122 1.00 0.00 C ATOM 253 C CYS A 18 6.051 -15.219 -6.221 1.00 0.00 C ATOM 254 O CYS A 18 4.935 -15.442 -5.751 1.00 0.00 O ATOM 255 CB CYS A 18 7.874 -16.134 -4.773 1.00 0.00 C ATOM 256 SG CYS A 18 9.436 -17.040 -4.676 1.00 0.00 S ATOM 0 H CYS A 18 9.016 -15.706 -6.935 1.00 0.00 H new ATOM 0 HA CYS A 18 6.717 -17.249 -6.200 1.00 0.00 H new ATOM 0 HB2 CYS A 18 8.064 -15.080 -4.570 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.208 -16.495 -3.989 1.00 0.00 H new ATOM 0 HG CYS A 18 9.209 -18.312 -4.819 1.00 0.00 H new ATOM 262 N LEU A 19 6.363 -14.082 -6.835 1.00 0.00 N ATOM 263 CA LEU A 19 5.390 -13.007 -6.994 1.00 0.00 C ATOM 264 C LEU A 19 4.336 -13.377 -8.033 1.00 0.00 C ATOM 265 O LEU A 19 3.160 -13.047 -7.883 1.00 0.00 O ATOM 266 CB LEU A 19 6.094 -11.712 -7.404 1.00 0.00 C ATOM 267 CG LEU A 19 6.934 -11.033 -6.321 1.00 0.00 C ATOM 268 CD1 LEU A 19 7.511 -9.724 -6.836 1.00 0.00 C ATOM 269 CD2 LEU A 19 6.100 -10.795 -5.071 1.00 0.00 C ATOM 0 H LEU A 19 7.282 -13.881 -7.230 1.00 0.00 H new ATOM 0 HA LEU A 19 4.892 -12.855 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.740 -11.927 -8.255 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.339 -11.005 -7.747 1.00 0.00 H new ATOM 0 HG LEU A 19 7.761 -11.694 -6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.106 -9.255 -6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.143 -9.921 -7.702 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.699 -9.057 -7.124 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.713 -10.311 -4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.253 -10.154 -5.315 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.735 -11.749 -4.690 1.00 0.00 H new ATOM 281 N ALA A 20 4.765 -14.065 -9.086 1.00 0.00 N ATOM 282 CA ALA A 20 3.858 -14.483 -10.147 1.00 0.00 C ATOM 283 C ALA A 20 2.877 -15.538 -9.647 1.00 0.00 C ATOM 284 O ALA A 20 1.726 -15.587 -10.082 1.00 0.00 O ATOM 285 CB ALA A 20 4.645 -15.014 -11.336 1.00 0.00 C ATOM 0 H ALA A 20 5.736 -14.345 -9.227 1.00 0.00 H new ATOM 0 HA ALA A 20 3.285 -13.612 -10.464 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.954 -15.323 -12.121 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.301 -14.231 -11.717 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.244 -15.869 -11.023 1.00 0.00 H new ATOM 291 N VAL A 21 3.340 -16.382 -8.730 1.00 0.00 N ATOM 292 CA VAL A 21 2.502 -17.437 -8.170 1.00 0.00 C ATOM 293 C VAL A 21 1.509 -16.872 -7.161 1.00 0.00 C ATOM 294 O VAL A 21 0.329 -17.220 -7.176 1.00 0.00 O ATOM 295 CB VAL A 21 3.352 -18.523 -7.484 1.00 0.00 C ATOM 296 CG1 VAL A 21 2.460 -19.592 -6.872 1.00 0.00 C ATOM 297 CG2 VAL A 21 4.331 -19.137 -8.474 1.00 0.00 C ATOM 0 H VAL A 21 4.290 -16.356 -8.359 1.00 0.00 H new ATOM 0 HA VAL A 21 1.957 -17.884 -9.001 1.00 0.00 H new ATOM 0 HB VAL A 21 3.925 -18.059 -6.681 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.078 -20.351 -6.392 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.803 -19.137 -6.131 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.859 -20.056 -7.654 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.924 -19.902 -7.973 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.779 -19.588 -9.299 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.992 -18.361 -8.860 1.00 0.00 H new ATOM 307 N MET A 22 1.995 -15.998 -6.286 1.00 0.00 N ATOM 308 CA MET A 22 1.148 -15.383 -5.270 1.00 0.00 C ATOM 309 C MET A 22 0.068 -14.520 -5.912 1.00 0.00 C ATOM 310 O MET A 22 -1.094 -14.563 -5.510 1.00 0.00 O ATOM 311 CB MET A 22 1.993 -14.537 -4.315 1.00 0.00 C ATOM 312 CG MET A 22 3.045 -15.337 -3.563 1.00 0.00 C ATOM 313 SD MET A 22 4.509 -14.361 -3.170 1.00 0.00 S ATOM 314 CE MET A 22 3.759 -12.882 -2.493 1.00 0.00 C ATOM 0 H MET A 22 2.970 -15.700 -6.260 1.00 0.00 H new ATOM 0 HA MET A 22 0.663 -16.180 -4.706 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.486 -13.747 -4.882 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.335 -14.050 -3.595 1.00 0.00 H new ATOM 0 HG2 MET A 22 2.612 -15.723 -2.640 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.338 -16.199 -4.162 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.475 -12.374 -1.848 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.467 -12.217 -3.306 1.00 0.00 H new ATOM 0 HE3 MET A 22 2.877 -13.154 -1.913 1.00 0.00 H new ATOM 324 N GLU A 23 0.460 -13.736 -6.912 1.00 0.00 N ATOM 325 CA GLU A 23 -0.477 -12.862 -7.609 1.00 0.00 C ATOM 326 C GLU A 23 -1.622 -13.666 -8.218 1.00 0.00 C ATOM 327 O GLU A 23 -2.751 -13.185 -8.312 1.00 0.00 O ATOM 328 CB GLU A 23 0.245 -12.072 -8.703 1.00 0.00 C ATOM 329 CG GLU A 23 0.817 -10.749 -8.222 1.00 0.00 C ATOM 330 CD GLU A 23 1.972 -10.267 -9.078 1.00 0.00 C ATOM 331 OE1 GLU A 23 2.762 -11.117 -9.540 1.00 0.00 O ATOM 332 OE2 GLU A 23 2.087 -9.041 -9.285 1.00 0.00 O ATOM 0 H GLU A 23 1.419 -13.688 -7.257 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.893 -12.165 -6.882 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.053 -12.682 -9.107 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.450 -11.882 -9.521 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.030 -9.995 -8.223 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.154 -10.857 -7.191 1.00 0.00 H new ATOM 339 N SER A 24 -1.321 -14.893 -8.631 1.00 0.00 N ATOM 340 CA SER A 24 -2.322 -15.763 -9.236 1.00 0.00 C ATOM 341 C SER A 24 -3.361 -16.194 -8.205 1.00 0.00 C ATOM 342 O SER A 24 -4.564 -16.147 -8.463 1.00 0.00 O ATOM 343 CB SER A 24 -1.655 -16.996 -9.849 1.00 0.00 C ATOM 344 OG SER A 24 -2.620 -17.888 -10.379 1.00 0.00 O ATOM 0 H SER A 24 -0.392 -15.307 -8.558 1.00 0.00 H new ATOM 0 HA SER A 24 -2.826 -15.202 -10.023 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.969 -16.688 -10.638 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.061 -17.507 -9.091 1.00 0.00 H new ATOM 0 HG SER A 24 -2.168 -18.667 -10.766 1.00 0.00 H new ATOM 350 N TYR A 25 -2.888 -16.612 -7.037 1.00 0.00 N ATOM 351 CA TYR A 25 -3.774 -17.054 -5.967 1.00 0.00 C ATOM 352 C TYR A 25 -4.645 -15.904 -5.471 1.00 0.00 C ATOM 353 O TYR A 25 -5.794 -16.104 -5.078 1.00 0.00 O ATOM 354 CB TYR A 25 -2.961 -17.629 -4.806 1.00 0.00 C ATOM 355 CG TYR A 25 -2.618 -19.092 -4.973 1.00 0.00 C ATOM 356 CD1 TYR A 25 -1.774 -19.516 -5.992 1.00 0.00 C ATOM 357 CD2 TYR A 25 -3.139 -20.050 -4.112 1.00 0.00 C ATOM 358 CE1 TYR A 25 -1.459 -20.852 -6.149 1.00 0.00 C ATOM 359 CE2 TYR A 25 -2.828 -21.388 -4.260 1.00 0.00 C ATOM 360 CZ TYR A 25 -1.988 -21.784 -5.280 1.00 0.00 C ATOM 361 OH TYR A 25 -1.677 -23.116 -5.432 1.00 0.00 O ATOM 0 H TYR A 25 -1.895 -16.654 -6.807 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.424 -17.832 -6.367 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.039 -17.058 -4.701 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.523 -17.499 -3.881 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.357 -18.789 -6.673 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.798 -19.744 -3.313 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.802 -21.165 -6.947 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.240 -22.120 -3.581 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.782 -23.201 -5.822 1.00 0.00 H new ATOM 371 N PHE A 26 -4.089 -14.697 -5.495 1.00 0.00 N ATOM 372 CA PHE A 26 -4.814 -13.513 -5.048 1.00 0.00 C ATOM 373 C PHE A 26 -5.971 -13.195 -5.991 1.00 0.00 C ATOM 374 O PHE A 26 -7.058 -12.822 -5.552 1.00 0.00 O ATOM 375 CB PHE A 26 -3.868 -12.313 -4.961 1.00 0.00 C ATOM 376 CG PHE A 26 -4.460 -11.134 -4.243 1.00 0.00 C ATOM 377 CD1 PHE A 26 -5.582 -10.494 -4.742 1.00 0.00 C ATOM 378 CD2 PHE A 26 -3.893 -10.666 -3.068 1.00 0.00 C ATOM 379 CE1 PHE A 26 -6.130 -9.409 -4.083 1.00 0.00 C ATOM 380 CE2 PHE A 26 -4.436 -9.582 -2.405 1.00 0.00 C ATOM 381 CZ PHE A 26 -5.555 -8.952 -2.913 1.00 0.00 C ATOM 0 H PHE A 26 -3.139 -14.513 -5.819 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.221 -13.719 -4.058 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.954 -12.617 -4.451 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.585 -12.010 -5.969 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.035 -10.847 -5.657 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.017 -11.154 -2.666 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.006 -8.920 -4.482 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.985 -9.228 -1.490 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.980 -8.104 -2.397 1.00 0.00 H new ATOM 391 N ASN A 27 -5.727 -13.346 -7.289 1.00 0.00 N ATOM 392 CA ASN A 27 -6.748 -13.075 -8.294 1.00 0.00 C ATOM 393 C ASN A 27 -7.959 -13.982 -8.099 1.00 0.00 C ATOM 394 O ASN A 27 -9.099 -13.562 -8.293 1.00 0.00 O ATOM 395 CB ASN A 27 -6.173 -13.267 -9.699 1.00 0.00 C ATOM 396 CG ASN A 27 -5.500 -12.014 -10.224 1.00 0.00 C ATOM 397 OD1 ASN A 27 -5.936 -11.431 -11.217 1.00 0.00 O ATOM 398 ND2 ASN A 27 -4.430 -11.594 -9.559 1.00 0.00 N ATOM 0 H ASN A 27 -4.832 -13.654 -7.669 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.070 -12.040 -8.179 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.452 -14.085 -9.685 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.973 -13.559 -10.379 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.935 -10.757 -9.866 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.104 -12.108 -8.741 1.00 0.00 H new ATOM 405 N GLU A 28 -7.702 -15.228 -7.714 1.00 0.00 N ATOM 406 CA GLU A 28 -8.771 -16.195 -7.494 1.00 0.00 C ATOM 407 C GLU A 28 -9.404 -16.002 -6.119 1.00 0.00 C ATOM 408 O GLU A 28 -10.602 -16.215 -5.940 1.00 0.00 O ATOM 409 CB GLU A 28 -8.233 -17.622 -7.624 1.00 0.00 C ATOM 410 CG GLU A 28 -7.385 -18.063 -6.443 1.00 0.00 C ATOM 411 CD GLU A 28 -7.272 -19.571 -6.336 1.00 0.00 C ATOM 412 OE1 GLU A 28 -8.255 -20.264 -6.673 1.00 0.00 O ATOM 413 OE2 GLU A 28 -6.203 -20.058 -5.915 1.00 0.00 O ATOM 0 H GLU A 28 -6.763 -15.591 -7.548 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.536 -16.032 -8.253 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.072 -18.309 -7.735 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.639 -17.696 -8.535 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.388 -17.634 -6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.817 -17.669 -5.523 1.00 0.00 H new ATOM 420 N ASN A 29 -8.589 -15.597 -5.150 1.00 0.00 N ATOM 421 CA ASN A 29 -9.068 -15.375 -3.791 1.00 0.00 C ATOM 422 C ASN A 29 -8.202 -14.347 -3.069 1.00 0.00 C ATOM 423 O ASN A 29 -6.986 -14.506 -2.971 1.00 0.00 O ATOM 424 CB ASN A 29 -9.075 -16.691 -3.010 1.00 0.00 C ATOM 425 CG ASN A 29 -10.045 -16.667 -1.845 1.00 0.00 C ATOM 426 OD1 ASN A 29 -10.834 -15.733 -1.699 1.00 0.00 O ATOM 427 ND2 ASN A 29 -9.990 -17.696 -1.007 1.00 0.00 N ATOM 0 H ASN A 29 -7.594 -15.416 -5.281 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.086 -14.989 -3.850 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.339 -17.508 -3.682 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -8.071 -16.895 -2.639 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.618 -17.734 -0.204 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.320 -18.448 -1.167 1.00 0.00 H new ATOM 434 N GLN A 30 -8.838 -13.294 -2.566 1.00 0.00 N ATOM 435 CA GLN A 30 -8.126 -12.240 -1.854 1.00 0.00 C ATOM 436 C GLN A 30 -7.531 -12.768 -0.553 1.00 0.00 C ATOM 437 O GLN A 30 -6.405 -12.428 -0.190 1.00 0.00 O ATOM 438 CB GLN A 30 -9.065 -11.069 -1.561 1.00 0.00 C ATOM 439 CG GLN A 30 -9.795 -10.552 -2.790 1.00 0.00 C ATOM 440 CD GLN A 30 -10.221 -9.104 -2.650 1.00 0.00 C ATOM 441 OE1 GLN A 30 -11.340 -8.812 -2.226 1.00 0.00 O ATOM 442 NE2 GLN A 30 -9.328 -8.188 -3.006 1.00 0.00 N ATOM 0 H GLN A 30 -9.845 -13.148 -2.638 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.312 -11.893 -2.490 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.798 -11.380 -0.817 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.490 -10.254 -1.121 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.148 -10.654 -3.662 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.675 -11.170 -2.972 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.413 -8.476 -3.352 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.557 -7.197 -2.933 1.00 0.00 H new ATOM 451 N TYR A 31 -8.294 -13.602 0.145 1.00 0.00 N ATOM 452 CA TYR A 31 -7.844 -14.175 1.408 1.00 0.00 C ATOM 453 C TYR A 31 -7.745 -15.694 1.312 1.00 0.00 C ATOM 454 O TYR A 31 -8.723 -16.419 1.496 1.00 0.00 O ATOM 455 CB TYR A 31 -8.798 -13.786 2.538 1.00 0.00 C ATOM 456 CG TYR A 31 -9.240 -12.341 2.486 1.00 0.00 C ATOM 457 CD1 TYR A 31 -10.097 -11.891 1.490 1.00 0.00 C ATOM 458 CD2 TYR A 31 -8.802 -11.425 3.435 1.00 0.00 C ATOM 459 CE1 TYR A 31 -10.503 -10.572 1.438 1.00 0.00 C ATOM 460 CE2 TYR A 31 -9.204 -10.104 3.392 1.00 0.00 C ATOM 461 CZ TYR A 31 -10.054 -9.682 2.392 1.00 0.00 C ATOM 462 OH TYR A 31 -10.457 -8.367 2.345 1.00 0.00 O ATOM 0 H TYR A 31 -9.227 -13.896 -0.143 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.853 -13.777 1.625 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.678 -14.428 2.497 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.311 -13.974 3.495 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.452 -12.585 0.743 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.136 -11.752 4.220 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.168 -10.239 0.655 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -8.854 -9.406 4.138 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.052 -7.874 3.089 1.00 0.00 H new ATOM 472 N PRO A 32 -6.534 -16.190 1.017 1.00 0.00 N ATOM 473 CA PRO A 32 -6.276 -17.627 0.890 1.00 0.00 C ATOM 474 C PRO A 32 -6.353 -18.350 2.231 1.00 0.00 C ATOM 475 O PRO A 32 -5.595 -18.049 3.153 1.00 0.00 O ATOM 476 CB PRO A 32 -4.851 -17.684 0.333 1.00 0.00 C ATOM 477 CG PRO A 32 -4.221 -16.408 0.772 1.00 0.00 C ATOM 478 CD PRO A 32 -5.323 -15.385 0.784 1.00 0.00 C ATOM 0 HA PRO A 32 -7.015 -18.120 0.258 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.309 -18.547 0.720 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.854 -17.771 -0.754 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.775 -16.513 1.761 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.422 -16.113 0.092 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.175 -14.645 1.570 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.377 -14.842 -0.159 1.00 0.00 H new ATOM 486 N ASP A 33 -7.271 -19.304 2.331 1.00 0.00 N ATOM 487 CA ASP A 33 -7.446 -20.072 3.559 1.00 0.00 C ATOM 488 C ASP A 33 -6.108 -20.605 4.061 1.00 0.00 C ATOM 489 O ASP A 33 -5.072 -20.404 3.428 1.00 0.00 O ATOM 490 CB ASP A 33 -8.416 -21.231 3.327 1.00 0.00 C ATOM 491 CG ASP A 33 -9.731 -20.774 2.726 1.00 0.00 C ATOM 492 OD1 ASP A 33 -10.626 -20.366 3.497 1.00 0.00 O ATOM 493 OD2 ASP A 33 -9.865 -20.823 1.486 1.00 0.00 O ATOM 0 H ASP A 33 -7.906 -19.565 1.577 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.860 -19.408 4.318 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.952 -21.962 2.665 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.608 -21.735 4.274 1.00 0.00 H new ATOM 498 N GLU A 34 -6.138 -21.284 5.204 1.00 0.00 N ATOM 499 CA GLU A 34 -4.927 -21.844 5.792 1.00 0.00 C ATOM 500 C GLU A 34 -4.234 -22.788 4.814 1.00 0.00 C ATOM 501 O GLU A 34 -3.044 -22.647 4.536 1.00 0.00 O ATOM 502 CB GLU A 34 -5.259 -22.587 7.087 1.00 0.00 C ATOM 503 CG GLU A 34 -6.456 -22.014 7.828 1.00 0.00 C ATOM 504 CD GLU A 34 -6.426 -20.500 7.903 1.00 0.00 C ATOM 505 OE1 GLU A 34 -5.699 -19.964 8.764 1.00 0.00 O ATOM 506 OE2 GLU A 34 -7.130 -19.852 7.101 1.00 0.00 O ATOM 0 H GLU A 34 -6.988 -21.459 5.741 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.249 -21.021 6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.453 -23.634 6.856 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.389 -22.561 7.744 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.372 -22.331 7.330 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.483 -22.424 8.838 1.00 0.00 H new ATOM 513 N ALA A 35 -4.989 -23.752 4.295 1.00 0.00 N ATOM 514 CA ALA A 35 -4.449 -24.719 3.348 1.00 0.00 C ATOM 515 C ALA A 35 -4.028 -24.039 2.049 1.00 0.00 C ATOM 516 O ALA A 35 -3.018 -24.400 1.446 1.00 0.00 O ATOM 517 CB ALA A 35 -5.471 -25.810 3.068 1.00 0.00 C ATOM 0 H ALA A 35 -5.976 -23.883 4.515 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.563 -25.172 3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.054 -26.525 2.359 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.720 -26.323 3.997 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.372 -25.365 2.647 1.00 0.00 H new ATOM 523 N LYS A 36 -4.810 -23.053 1.623 1.00 0.00 N ATOM 524 CA LYS A 36 -4.520 -22.321 0.396 1.00 0.00 C ATOM 525 C LYS A 36 -3.176 -21.606 0.494 1.00 0.00 C ATOM 526 O LYS A 36 -2.398 -21.593 -0.460 1.00 0.00 O ATOM 527 CB LYS A 36 -5.629 -21.307 0.107 1.00 0.00 C ATOM 528 CG LYS A 36 -5.473 -20.599 -1.227 1.00 0.00 C ATOM 529 CD LYS A 36 -5.757 -21.534 -2.391 1.00 0.00 C ATOM 530 CE LYS A 36 -7.237 -21.555 -2.742 1.00 0.00 C ATOM 531 NZ LYS A 36 -7.600 -22.757 -3.542 1.00 0.00 N ATOM 0 H LYS A 36 -5.651 -22.742 2.110 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.471 -23.039 -0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.591 -21.818 0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.646 -20.563 0.904 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.152 -19.747 -1.269 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.461 -20.205 -1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.180 -21.219 -3.261 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.428 -22.542 -2.138 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.828 -21.536 -1.826 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.490 -20.655 -3.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.616 -22.734 -3.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.055 -22.762 -4.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.382 -23.616 -2.997 1.00 0.00 H new ATOM 545 N ARG A 37 -2.909 -21.014 1.653 1.00 0.00 N ATOM 546 CA ARG A 37 -1.659 -20.298 1.876 1.00 0.00 C ATOM 547 C ARG A 37 -0.462 -21.231 1.721 1.00 0.00 C ATOM 548 O ARG A 37 0.565 -20.851 1.160 1.00 0.00 O ATOM 549 CB ARG A 37 -1.650 -19.666 3.269 1.00 0.00 C ATOM 550 CG ARG A 37 -2.441 -18.371 3.356 1.00 0.00 C ATOM 551 CD ARG A 37 -2.006 -17.531 4.547 1.00 0.00 C ATOM 552 NE ARG A 37 -2.752 -17.869 5.756 1.00 0.00 N ATOM 553 CZ ARG A 37 -2.419 -18.865 6.571 1.00 0.00 C ATOM 554 NH1 ARG A 37 -1.358 -19.615 6.307 1.00 0.00 N ATOM 555 NH2 ARG A 37 -3.147 -19.110 7.652 1.00 0.00 N ATOM 0 H ARG A 37 -3.542 -21.016 2.453 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.582 -19.510 1.127 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.058 -20.380 3.985 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.619 -19.472 3.564 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.307 -17.799 2.438 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.504 -18.598 3.438 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.941 -17.679 4.725 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.147 -16.475 4.317 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.573 -17.310 5.988 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.795 -19.428 5.477 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.105 -20.379 6.934 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.963 -18.534 7.859 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.891 -19.874 8.277 1.00 0.00 H new ATOM 569 N GLU A 38 -0.603 -22.454 2.222 1.00 0.00 N ATOM 570 CA GLU A 38 0.467 -23.441 2.140 1.00 0.00 C ATOM 571 C GLU A 38 0.656 -23.921 0.704 1.00 0.00 C ATOM 572 O GLU A 38 1.781 -24.133 0.253 1.00 0.00 O ATOM 573 CB GLU A 38 0.164 -24.632 3.052 1.00 0.00 C ATOM 574 CG GLU A 38 0.647 -24.444 4.480 1.00 0.00 C ATOM 575 CD GLU A 38 -0.034 -25.386 5.455 1.00 0.00 C ATOM 576 OE1 GLU A 38 -0.380 -26.514 5.045 1.00 0.00 O ATOM 577 OE2 GLU A 38 -0.220 -24.995 6.626 1.00 0.00 O ATOM 0 H GLU A 38 -1.447 -22.785 2.689 1.00 0.00 H new ATOM 0 HA GLU A 38 1.391 -22.966 2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.912 -24.807 3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.629 -25.525 2.635 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.725 -24.603 4.519 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.466 -23.414 4.788 1.00 0.00 H new ATOM 584 N GLU A 39 -0.454 -24.089 -0.008 1.00 0.00 N ATOM 585 CA GLU A 39 -0.410 -24.545 -1.393 1.00 0.00 C ATOM 586 C GLU A 39 0.338 -23.547 -2.271 1.00 0.00 C ATOM 587 O GLU A 39 1.185 -23.929 -3.080 1.00 0.00 O ATOM 588 CB GLU A 39 -1.828 -24.751 -1.930 1.00 0.00 C ATOM 589 CG GLU A 39 -1.884 -25.597 -3.191 1.00 0.00 C ATOM 590 CD GLU A 39 -1.818 -27.084 -2.899 1.00 0.00 C ATOM 591 OE1 GLU A 39 -0.695 -27.604 -2.729 1.00 0.00 O ATOM 592 OE2 GLU A 39 -2.887 -27.726 -2.842 1.00 0.00 O ATOM 0 H GLU A 39 -1.393 -23.917 0.350 1.00 0.00 H new ATOM 0 HA GLU A 39 0.123 -25.496 -1.419 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.435 -25.224 -1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.275 -23.778 -2.135 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.805 -25.377 -3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.057 -25.322 -3.846 1.00 0.00 H new ATOM 599 N ILE A 40 0.020 -22.268 -2.106 1.00 0.00 N ATOM 600 CA ILE A 40 0.663 -21.215 -2.882 1.00 0.00 C ATOM 601 C ILE A 40 2.110 -21.016 -2.446 1.00 0.00 C ATOM 602 O ILE A 40 2.980 -20.719 -3.265 1.00 0.00 O ATOM 603 CB ILE A 40 -0.090 -19.878 -2.749 1.00 0.00 C ATOM 604 CG1 ILE A 40 0.330 -18.918 -3.865 1.00 0.00 C ATOM 605 CG2 ILE A 40 0.168 -19.258 -1.384 1.00 0.00 C ATOM 606 CD1 ILE A 40 1.591 -18.144 -3.552 1.00 0.00 C ATOM 0 H ILE A 40 -0.679 -21.936 -1.442 1.00 0.00 H new ATOM 0 HA ILE A 40 0.641 -21.533 -3.924 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.159 -20.069 -2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.480 -19.485 -4.784 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.481 -18.215 -4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.371 -18.314 -1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.176 -19.938 -0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.236 -19.077 -1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.829 -17.484 -4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.439 -17.550 -2.651 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.415 -18.840 -3.393 1.00 0.00 H new ATOM 618 N ALA A 41 2.361 -21.182 -1.152 1.00 0.00 N ATOM 619 CA ALA A 41 3.704 -21.025 -0.607 1.00 0.00 C ATOM 620 C ALA A 41 4.648 -22.089 -1.157 1.00 0.00 C ATOM 621 O ALA A 41 5.761 -21.784 -1.584 1.00 0.00 O ATOM 622 CB ALA A 41 3.667 -21.083 0.913 1.00 0.00 C ATOM 0 H ALA A 41 1.651 -21.425 -0.461 1.00 0.00 H new ATOM 0 HA ALA A 41 4.082 -20.049 -0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.677 -20.964 1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.033 -20.281 1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.265 -22.045 1.231 1.00 0.00 H new ATOM 628 N ASN A 42 4.195 -23.339 -1.143 1.00 0.00 N ATOM 629 CA ASN A 42 5.001 -24.449 -1.639 1.00 0.00 C ATOM 630 C ASN A 42 5.390 -24.229 -3.098 1.00 0.00 C ATOM 631 O ASN A 42 6.501 -24.560 -3.511 1.00 0.00 O ATOM 632 CB ASN A 42 4.235 -25.766 -1.497 1.00 0.00 C ATOM 633 CG ASN A 42 4.432 -26.405 -0.135 1.00 0.00 C ATOM 634 OD1 ASN A 42 5.438 -27.070 0.111 1.00 0.00 O ATOM 635 ND2 ASN A 42 3.468 -26.205 0.757 1.00 0.00 N ATOM 0 H ASN A 42 3.275 -23.608 -0.794 1.00 0.00 H new ATOM 0 HA ASN A 42 5.912 -24.500 -1.042 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.173 -25.585 -1.660 1.00 0.00 H new ATOM 0 HB3 ASN A 42 4.563 -26.459 -2.272 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.544 -26.610 1.690 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.651 -25.646 0.509 1.00 0.00 H new ATOM 642 N ALA A 43 4.467 -23.667 -3.872 1.00 0.00 N ATOM 643 CA ALA A 43 4.715 -23.401 -5.284 1.00 0.00 C ATOM 644 C ALA A 43 5.832 -22.378 -5.462 1.00 0.00 C ATOM 645 O ALA A 43 6.626 -22.469 -6.399 1.00 0.00 O ATOM 646 CB ALA A 43 3.440 -22.917 -5.961 1.00 0.00 C ATOM 0 H ALA A 43 3.542 -23.387 -3.546 1.00 0.00 H new ATOM 0 HA ALA A 43 5.033 -24.332 -5.754 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.639 -22.722 -7.015 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.668 -23.682 -5.873 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.098 -22.000 -5.481 1.00 0.00 H new ATOM 652 N CYS A 44 5.886 -21.406 -4.559 1.00 0.00 N ATOM 653 CA CYS A 44 6.906 -20.364 -4.618 1.00 0.00 C ATOM 654 C CYS A 44 8.293 -20.947 -4.369 1.00 0.00 C ATOM 655 O CYS A 44 9.263 -20.567 -5.024 1.00 0.00 O ATOM 656 CB CYS A 44 6.607 -19.271 -3.591 1.00 0.00 C ATOM 657 SG CYS A 44 5.031 -18.424 -3.852 1.00 0.00 S ATOM 0 H CYS A 44 5.236 -21.317 -3.778 1.00 0.00 H new ATOM 0 HA CYS A 44 6.889 -19.928 -5.617 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.609 -19.713 -2.595 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.411 -18.535 -3.615 1.00 0.00 H new ATOM 0 HG CYS A 44 5.222 -17.369 -4.587 1.00 0.00 H new ATOM 663 N ASN A 45 8.380 -21.871 -3.418 1.00 0.00 N ATOM 664 CA ASN A 45 9.649 -22.505 -3.082 1.00 0.00 C ATOM 665 C ASN A 45 10.143 -23.379 -4.231 1.00 0.00 C ATOM 666 O ASN A 45 11.346 -23.508 -4.453 1.00 0.00 O ATOM 667 CB ASN A 45 9.501 -23.348 -1.813 1.00 0.00 C ATOM 668 CG ASN A 45 9.511 -22.503 -0.554 1.00 0.00 C ATOM 669 OD1 ASN A 45 10.219 -21.500 -0.471 1.00 0.00 O ATOM 670 ND2 ASN A 45 8.722 -22.907 0.435 1.00 0.00 N ATOM 0 H ASN A 45 7.587 -22.197 -2.866 1.00 0.00 H new ATOM 0 HA ASN A 45 10.383 -21.719 -2.906 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.570 -23.912 -1.861 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.312 -24.075 -1.766 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.686 -22.379 1.307 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.152 -23.745 0.322 1.00 0.00 H new ATOM 677 N ALA A 46 9.204 -23.975 -4.959 1.00 0.00 N ATOM 678 CA ALA A 46 9.543 -24.834 -6.087 1.00 0.00 C ATOM 679 C ALA A 46 10.069 -24.015 -7.262 1.00 0.00 C ATOM 680 O ALA A 46 11.104 -24.339 -7.843 1.00 0.00 O ATOM 681 CB ALA A 46 8.332 -25.652 -6.511 1.00 0.00 C ATOM 0 H ALA A 46 8.203 -23.879 -4.788 1.00 0.00 H new ATOM 0 HA ALA A 46 10.333 -25.514 -5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.600 -26.289 -7.354 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.002 -26.273 -5.678 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.525 -24.981 -6.805 1.00 0.00 H new ATOM 687 N VAL A 47 9.347 -22.953 -7.606 1.00 0.00 N ATOM 688 CA VAL A 47 9.741 -22.088 -8.712 1.00 0.00 C ATOM 689 C VAL A 47 11.132 -21.508 -8.487 1.00 0.00 C ATOM 690 O VAL A 47 11.796 -21.076 -9.430 1.00 0.00 O ATOM 691 CB VAL A 47 8.740 -20.933 -8.904 1.00 0.00 C ATOM 692 CG1 VAL A 47 7.431 -21.451 -9.482 1.00 0.00 C ATOM 693 CG2 VAL A 47 8.502 -20.210 -7.587 1.00 0.00 C ATOM 0 H VAL A 47 8.487 -22.671 -7.135 1.00 0.00 H new ATOM 0 HA VAL A 47 9.749 -22.706 -9.610 1.00 0.00 H new ATOM 0 HB VAL A 47 9.165 -20.221 -9.611 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.736 -20.621 -9.611 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.620 -21.919 -10.448 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.998 -22.184 -8.802 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.792 -19.397 -7.741 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.099 -20.910 -6.855 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.444 -19.804 -7.219 1.00 0.00 H new ATOM 703 N ILE A 48 11.569 -21.500 -7.232 1.00 0.00 N ATOM 704 CA ILE A 48 12.883 -20.975 -6.883 1.00 0.00 C ATOM 705 C ILE A 48 13.861 -22.102 -6.572 1.00 0.00 C ATOM 706 O ILE A 48 15.065 -21.967 -6.784 1.00 0.00 O ATOM 707 CB ILE A 48 12.806 -20.027 -5.672 1.00 0.00 C ATOM 708 CG1 ILE A 48 12.413 -20.802 -4.413 1.00 0.00 C ATOM 709 CG2 ILE A 48 11.815 -18.904 -5.940 1.00 0.00 C ATOM 710 CD1 ILE A 48 12.476 -19.975 -3.149 1.00 0.00 C ATOM 0 H ILE A 48 11.032 -21.852 -6.440 1.00 0.00 H new ATOM 0 HA ILE A 48 13.240 -20.417 -7.749 1.00 0.00 H new ATOM 0 HB ILE A 48 13.790 -19.586 -5.512 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.401 -21.188 -4.535 1.00 0.00 H new ATOM 0 HG13 ILE A 48 13.072 -21.664 -4.307 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.772 -18.243 -5.075 1.00 0.00 H new ATOM 0 HG22 ILE A 48 12.135 -18.337 -6.814 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.827 -19.327 -6.123 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.184 -20.589 -2.297 1.00 0.00 H new ATOM 0 HD12 ILE A 48 13.493 -19.611 -3.003 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.796 -19.127 -3.235 1.00 0.00 H new ATOM 722 N GLN A 49 13.334 -23.213 -6.068 1.00 0.00 N ATOM 723 CA GLN A 49 14.161 -24.365 -5.728 1.00 0.00 C ATOM 724 C GLN A 49 15.001 -24.803 -6.923 1.00 0.00 C ATOM 725 O GLN A 49 14.468 -25.150 -7.977 1.00 0.00 O ATOM 726 CB GLN A 49 13.286 -25.525 -5.252 1.00 0.00 C ATOM 727 CG GLN A 49 14.074 -26.777 -4.899 1.00 0.00 C ATOM 728 CD GLN A 49 13.375 -27.634 -3.862 1.00 0.00 C ATOM 729 OE1 GLN A 49 12.319 -28.210 -4.126 1.00 0.00 O ATOM 730 NE2 GLN A 49 13.961 -27.723 -2.674 1.00 0.00 N ATOM 0 H GLN A 49 12.338 -23.340 -5.886 1.00 0.00 H new ATOM 0 HA GLN A 49 14.834 -24.072 -4.922 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.717 -25.206 -4.379 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.564 -25.768 -6.031 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.236 -27.366 -5.802 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.057 -26.490 -4.525 1.00 0.00 H new ATOM 0 HE21 GLN A 49 14.836 -27.229 -2.499 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.536 -28.286 -1.937 1.00 0.00 H new ATOM 739 N LYS A 50 16.319 -24.784 -6.752 1.00 0.00 N ATOM 740 CA LYS A 50 17.234 -25.180 -7.815 1.00 0.00 C ATOM 741 C LYS A 50 17.777 -26.585 -7.571 1.00 0.00 C ATOM 742 O LYS A 50 17.878 -27.048 -6.435 1.00 0.00 O ATOM 743 CB LYS A 50 18.393 -24.185 -7.916 1.00 0.00 C ATOM 744 CG LYS A 50 17.944 -22.737 -8.017 1.00 0.00 C ATOM 745 CD LYS A 50 17.366 -22.427 -9.387 1.00 0.00 C ATOM 746 CE LYS A 50 18.458 -22.072 -10.385 1.00 0.00 C ATOM 747 NZ LYS A 50 17.895 -21.638 -11.693 1.00 0.00 N ATOM 0 H LYS A 50 16.777 -24.498 -5.887 1.00 0.00 H new ATOM 0 HA LYS A 50 16.681 -25.181 -8.754 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.035 -24.298 -7.042 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.997 -24.431 -8.789 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.196 -22.533 -7.251 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.790 -22.078 -7.820 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.806 -23.289 -9.750 1.00 0.00 H new ATOM 0 HD3 LYS A 50 16.661 -21.599 -9.307 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.079 -21.276 -9.975 1.00 0.00 H new ATOM 0 HE3 LYS A 50 19.106 -22.936 -10.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.671 -21.405 -12.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.323 -22.407 -12.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 17.297 -20.799 -11.552 1.00 0.00 H new ATOM 761 N PRO A 51 18.136 -27.279 -8.661 1.00 0.00 N ATOM 762 CA PRO A 51 18.677 -28.640 -8.590 1.00 0.00 C ATOM 763 C PRO A 51 20.076 -28.677 -7.985 1.00 0.00 C ATOM 764 O PRO A 51 20.967 -27.943 -8.411 1.00 0.00 O ATOM 765 CB PRO A 51 18.716 -29.083 -10.054 1.00 0.00 C ATOM 766 CG PRO A 51 18.812 -27.816 -10.831 1.00 0.00 C ATOM 767 CD PRO A 51 18.043 -26.789 -10.046 1.00 0.00 C ATOM 0 HA PRO A 51 18.074 -29.285 -7.951 1.00 0.00 H new ATOM 0 HB2 PRO A 51 19.570 -29.732 -10.248 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.821 -29.645 -10.322 1.00 0.00 H new ATOM 0 HG2 PRO A 51 19.852 -27.513 -10.957 1.00 0.00 H new ATOM 0 HG3 PRO A 51 18.393 -27.938 -11.830 1.00 0.00 H new ATOM 0 HD2 PRO A 51 18.478 -25.795 -10.151 1.00 0.00 H new ATOM 0 HD3 PRO A 51 17.008 -26.721 -10.380 1.00 0.00 H new ATOM 775 N GLY A 52 20.263 -29.538 -6.988 1.00 0.00 N ATOM 776 CA GLY A 52 21.556 -29.654 -6.341 1.00 0.00 C ATOM 777 C GLY A 52 21.855 -28.483 -5.427 1.00 0.00 C ATOM 778 O GLY A 52 22.992 -28.297 -4.994 1.00 0.00 O ATOM 0 H GLY A 52 19.542 -30.157 -6.618 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.588 -30.578 -5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.334 -29.725 -7.101 1.00 0.00 H new ATOM 782 N LYS A 53 20.832 -27.688 -5.133 1.00 0.00 N ATOM 783 CA LYS A 53 20.989 -26.528 -4.264 1.00 0.00 C ATOM 784 C LYS A 53 19.999 -26.578 -3.104 1.00 0.00 C ATOM 785 O LYS A 53 18.850 -26.988 -3.272 1.00 0.00 O ATOM 786 CB LYS A 53 20.789 -25.237 -5.062 1.00 0.00 C ATOM 787 CG LYS A 53 21.560 -24.052 -4.505 1.00 0.00 C ATOM 788 CD LYS A 53 20.764 -23.324 -3.434 1.00 0.00 C ATOM 789 CE LYS A 53 21.657 -22.428 -2.589 1.00 0.00 C ATOM 790 NZ LYS A 53 22.621 -23.217 -1.773 1.00 0.00 N ATOM 0 H LYS A 53 19.884 -27.826 -5.484 1.00 0.00 H new ATOM 0 HA LYS A 53 22.000 -26.545 -3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 53 21.096 -25.407 -6.094 1.00 0.00 H new ATOM 0 HB3 LYS A 53 19.727 -24.992 -5.081 1.00 0.00 H new ATOM 0 HG2 LYS A 53 22.506 -24.396 -4.086 1.00 0.00 H new ATOM 0 HG3 LYS A 53 21.802 -23.361 -5.313 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.984 -22.724 -3.903 1.00 0.00 H new ATOM 0 HD3 LYS A 53 20.265 -24.051 -2.793 1.00 0.00 H new ATOM 0 HE2 LYS A 53 22.205 -21.745 -3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 53 21.040 -21.816 -1.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 22.453 -23.033 -0.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 22.492 -24.231 -1.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 23.593 -22.939 -2.018 1.00 0.00 H new ATOM 804 N LYS A 54 20.452 -26.158 -1.928 1.00 0.00 N ATOM 805 CA LYS A 54 19.606 -26.152 -0.740 1.00 0.00 C ATOM 806 C LYS A 54 18.917 -24.802 -0.569 1.00 0.00 C ATOM 807 O LYS A 54 19.542 -23.751 -0.718 1.00 0.00 O ATOM 808 CB LYS A 54 20.437 -26.474 0.504 1.00 0.00 C ATOM 809 CG LYS A 54 19.615 -26.567 1.778 1.00 0.00 C ATOM 810 CD LYS A 54 20.500 -26.724 3.003 1.00 0.00 C ATOM 811 CE LYS A 54 19.793 -27.497 4.106 1.00 0.00 C ATOM 812 NZ LYS A 54 20.756 -28.078 5.081 1.00 0.00 N ATOM 0 H LYS A 54 21.401 -25.817 -1.772 1.00 0.00 H new ATOM 0 HA LYS A 54 18.840 -26.917 -0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 54 20.958 -27.419 0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 54 21.200 -25.706 0.629 1.00 0.00 H new ATOM 0 HG2 LYS A 54 19.003 -25.671 1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 54 18.932 -27.414 1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 54 21.418 -27.241 2.726 1.00 0.00 H new ATOM 0 HD3 LYS A 54 20.788 -25.740 3.374 1.00 0.00 H new ATOM 0 HE2 LYS A 54 19.103 -26.835 4.628 1.00 0.00 H new ATOM 0 HE3 LYS A 54 19.197 -28.296 3.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 20.235 -28.597 5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 21.399 -28.730 4.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 21.308 -27.314 5.521 1.00 0.00 H new ATOM 826 N LEU A 55 17.627 -24.837 -0.253 1.00 0.00 N ATOM 827 CA LEU A 55 16.853 -23.616 -0.060 1.00 0.00 C ATOM 828 C LEU A 55 17.151 -22.992 1.300 1.00 0.00 C ATOM 829 O LEU A 55 17.304 -23.698 2.298 1.00 0.00 O ATOM 830 CB LEU A 55 15.358 -23.912 -0.182 1.00 0.00 C ATOM 831 CG LEU A 55 14.788 -23.914 -1.601 1.00 0.00 C ATOM 832 CD1 LEU A 55 13.293 -24.194 -1.575 1.00 0.00 C ATOM 833 CD2 LEU A 55 15.071 -22.587 -2.291 1.00 0.00 C ATOM 0 H LEU A 55 17.095 -25.698 -0.125 1.00 0.00 H new ATOM 0 HA LEU A 55 17.141 -22.906 -0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.163 -24.885 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 55 14.813 -23.174 0.406 1.00 0.00 H new ATOM 0 HG LEU A 55 15.276 -24.707 -2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.905 -24.192 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.113 -25.168 -1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.789 -23.423 -0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.658 -22.606 -3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.610 -21.777 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 55 16.148 -22.426 -2.343 1.00 0.00 H new ATOM 845 N SER A 56 17.229 -21.666 1.333 1.00 0.00 N ATOM 846 CA SER A 56 17.509 -20.947 2.571 1.00 0.00 C ATOM 847 C SER A 56 16.254 -20.255 3.093 1.00 0.00 C ATOM 848 O SER A 56 15.335 -19.955 2.332 1.00 0.00 O ATOM 849 CB SER A 56 18.618 -19.917 2.347 1.00 0.00 C ATOM 850 OG SER A 56 19.892 -20.469 2.628 1.00 0.00 O ATOM 0 H SER A 56 17.102 -21.067 0.517 1.00 0.00 H new ATOM 0 HA SER A 56 17.840 -21.671 3.316 1.00 0.00 H new ATOM 0 HB2 SER A 56 18.590 -19.566 1.315 1.00 0.00 H new ATOM 0 HB3 SER A 56 18.446 -19.049 2.983 1.00 0.00 H new ATOM 0 HG SER A 56 20.583 -19.791 2.475 1.00 0.00 H new ATOM 856 N ASP A 57 16.224 -20.006 4.398 1.00 0.00 N ATOM 857 CA ASP A 57 15.082 -19.349 5.024 1.00 0.00 C ATOM 858 C ASP A 57 14.827 -17.984 4.392 1.00 0.00 C ATOM 859 O ASP A 57 13.717 -17.454 4.460 1.00 0.00 O ATOM 860 CB ASP A 57 15.318 -19.192 6.527 1.00 0.00 C ATOM 861 CG ASP A 57 14.032 -18.952 7.293 1.00 0.00 C ATOM 862 OD1 ASP A 57 13.332 -19.938 7.602 1.00 0.00 O ATOM 863 OD2 ASP A 57 13.727 -17.776 7.584 1.00 0.00 O ATOM 0 H ASP A 57 16.977 -20.249 5.042 1.00 0.00 H new ATOM 0 HA ASP A 57 14.203 -19.973 4.865 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.804 -20.089 6.911 1.00 0.00 H new ATOM 0 HB3 ASP A 57 16.001 -18.360 6.700 1.00 0.00 H new ATOM 868 N LEU A 58 15.861 -17.420 3.778 1.00 0.00 N ATOM 869 CA LEU A 58 15.749 -16.115 3.134 1.00 0.00 C ATOM 870 C LEU A 58 14.883 -16.199 1.881 1.00 0.00 C ATOM 871 O LEU A 58 14.268 -15.214 1.474 1.00 0.00 O ATOM 872 CB LEU A 58 17.137 -15.582 2.774 1.00 0.00 C ATOM 873 CG LEU A 58 18.001 -15.113 3.945 1.00 0.00 C ATOM 874 CD1 LEU A 58 18.536 -16.305 4.724 1.00 0.00 C ATOM 875 CD2 LEU A 58 19.145 -14.241 3.449 1.00 0.00 C ATOM 0 H LEU A 58 16.786 -17.845 3.712 1.00 0.00 H new ATOM 0 HA LEU A 58 15.274 -15.430 3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 58 17.677 -16.364 2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.016 -14.749 2.082 1.00 0.00 H new ATOM 0 HG LEU A 58 17.380 -14.517 4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 58 19.149 -15.952 5.554 1.00 0.00 H new ATOM 0 HD12 LEU A 58 17.702 -16.890 5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 58 19.141 -16.928 4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 58 19.749 -13.917 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.765 -14.813 2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 58 18.741 -13.368 2.936 1.00 0.00 H new ATOM 887 N GLU A 59 14.838 -17.382 1.277 1.00 0.00 N ATOM 888 CA GLU A 59 14.046 -17.594 0.071 1.00 0.00 C ATOM 889 C GLU A 59 12.846 -18.492 0.359 1.00 0.00 C ATOM 890 O GLU A 59 11.904 -18.560 -0.431 1.00 0.00 O ATOM 891 CB GLU A 59 14.908 -18.214 -1.030 1.00 0.00 C ATOM 892 CG GLU A 59 16.053 -17.323 -1.481 1.00 0.00 C ATOM 893 CD GLU A 59 15.659 -16.395 -2.614 1.00 0.00 C ATOM 894 OE1 GLU A 59 14.669 -16.699 -3.312 1.00 0.00 O ATOM 895 OE2 GLU A 59 16.341 -15.366 -2.803 1.00 0.00 O ATOM 0 H GLU A 59 15.340 -18.208 1.603 1.00 0.00 H new ATOM 0 HA GLU A 59 13.680 -16.625 -0.267 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.314 -19.160 -0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.277 -18.443 -1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.402 -16.730 -0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.889 -17.946 -1.800 1.00 0.00 H new ATOM 902 N ARG A 60 12.889 -19.180 1.496 1.00 0.00 N ATOM 903 CA ARG A 60 11.807 -20.075 1.888 1.00 0.00 C ATOM 904 C ARG A 60 10.524 -19.293 2.154 1.00 0.00 C ATOM 905 O ARG A 60 10.464 -18.471 3.069 1.00 0.00 O ATOM 906 CB ARG A 60 12.201 -20.869 3.134 1.00 0.00 C ATOM 907 CG ARG A 60 11.285 -22.049 3.419 1.00 0.00 C ATOM 908 CD ARG A 60 12.007 -23.140 4.194 1.00 0.00 C ATOM 909 NE ARG A 60 12.179 -22.789 5.601 1.00 0.00 N ATOM 910 CZ ARG A 60 12.535 -23.661 6.538 1.00 0.00 C ATOM 911 NH1 ARG A 60 12.756 -24.929 6.218 1.00 0.00 N ATOM 912 NH2 ARG A 60 12.672 -23.266 7.797 1.00 0.00 N ATOM 0 H ARG A 60 13.661 -19.135 2.161 1.00 0.00 H new ATOM 0 HA ARG A 60 11.626 -20.768 1.066 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.222 -21.233 3.015 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.199 -20.202 3.996 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.419 -21.710 3.987 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.910 -22.456 2.480 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.445 -24.071 4.119 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.983 -23.320 3.743 1.00 0.00 H new ATOM 0 HE ARG A 60 12.017 -21.821 5.880 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.653 -25.236 5.251 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.029 -25.597 6.939 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.504 -22.291 8.047 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.945 -23.937 8.515 1.00 0.00 H new ATOM 926 N VAL A 61 9.500 -19.554 1.348 1.00 0.00 N ATOM 927 CA VAL A 61 8.218 -18.876 1.496 1.00 0.00 C ATOM 928 C VAL A 61 7.251 -19.705 2.335 1.00 0.00 C ATOM 929 O VAL A 61 6.688 -20.692 1.861 1.00 0.00 O ATOM 930 CB VAL A 61 7.574 -18.587 0.127 1.00 0.00 C ATOM 931 CG1 VAL A 61 6.154 -18.069 0.303 1.00 0.00 C ATOM 932 CG2 VAL A 61 8.418 -17.596 -0.660 1.00 0.00 C ATOM 0 H VAL A 61 9.533 -20.231 0.585 1.00 0.00 H new ATOM 0 HA VAL A 61 8.417 -17.931 2.002 1.00 0.00 H new ATOM 0 HB VAL A 61 7.528 -19.519 -0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.715 -17.870 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.556 -18.817 0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.172 -17.148 0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.948 -17.403 -1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.498 -16.663 -0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.414 -18.011 -0.818 1.00 0.00 H new ATOM 942 N THR A 62 7.063 -19.297 3.587 1.00 0.00 N ATOM 943 CA THR A 62 6.166 -20.002 4.493 1.00 0.00 C ATOM 944 C THR A 62 4.729 -19.519 4.330 1.00 0.00 C ATOM 945 O THR A 62 4.464 -18.564 3.599 1.00 0.00 O ATOM 946 CB THR A 62 6.593 -19.820 5.962 1.00 0.00 C ATOM 947 OG1 THR A 62 6.482 -18.442 6.337 1.00 0.00 O ATOM 948 CG2 THR A 62 8.023 -20.294 6.172 1.00 0.00 C ATOM 0 H THR A 62 7.520 -18.482 3.996 1.00 0.00 H new ATOM 0 HA THR A 62 6.223 -21.059 4.234 1.00 0.00 H new ATOM 0 HB THR A 62 5.932 -20.421 6.587 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.753 -18.335 7.273 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.302 -20.156 7.216 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.098 -21.350 5.913 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.695 -19.716 5.537 1.00 0.00 H new ATOM 956 N SER A 63 3.805 -20.183 5.017 1.00 0.00 N ATOM 957 CA SER A 63 2.393 -19.823 4.945 1.00 0.00 C ATOM 958 C SER A 63 2.161 -18.423 5.506 1.00 0.00 C ATOM 959 O SER A 63 1.365 -17.651 4.970 1.00 0.00 O ATOM 960 CB SER A 63 1.546 -20.839 5.713 1.00 0.00 C ATOM 961 OG SER A 63 1.580 -20.583 7.106 1.00 0.00 O ATOM 0 H SER A 63 4.008 -20.973 5.630 1.00 0.00 H new ATOM 0 HA SER A 63 2.094 -19.830 3.897 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.516 -20.801 5.358 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.914 -21.846 5.516 1.00 0.00 H new ATOM 0 HG SER A 63 1.029 -21.245 7.574 1.00 0.00 H new ATOM 967 N LEU A 64 2.861 -18.103 6.589 1.00 0.00 N ATOM 968 CA LEU A 64 2.733 -16.796 7.225 1.00 0.00 C ATOM 969 C LEU A 64 3.233 -15.690 6.301 1.00 0.00 C ATOM 970 O LEU A 64 2.636 -14.616 6.222 1.00 0.00 O ATOM 971 CB LEU A 64 3.512 -16.768 8.540 1.00 0.00 C ATOM 972 CG LEU A 64 3.743 -15.387 9.155 1.00 0.00 C ATOM 973 CD1 LEU A 64 2.419 -14.745 9.538 1.00 0.00 C ATOM 974 CD2 LEU A 64 4.659 -15.489 10.366 1.00 0.00 C ATOM 0 H LEU A 64 3.523 -18.731 7.045 1.00 0.00 H new ATOM 0 HA LEU A 64 1.677 -16.622 7.432 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.981 -17.383 9.267 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.482 -17.237 8.374 1.00 0.00 H new ATOM 0 HG LEU A 64 4.227 -14.755 8.410 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.603 -13.763 9.974 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.797 -14.637 8.650 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.906 -15.374 10.265 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.812 -14.497 10.791 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.203 -16.137 11.114 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.619 -15.906 10.062 1.00 0.00 H new ATOM 986 N LYS A 65 4.330 -15.960 5.602 1.00 0.00 N ATOM 987 CA LYS A 65 4.909 -14.990 4.681 1.00 0.00 C ATOM 988 C LYS A 65 3.900 -14.586 3.611 1.00 0.00 C ATOM 989 O LYS A 65 3.795 -13.412 3.254 1.00 0.00 O ATOM 990 CB LYS A 65 6.163 -15.569 4.021 1.00 0.00 C ATOM 991 CG LYS A 65 7.436 -15.320 4.811 1.00 0.00 C ATOM 992 CD LYS A 65 8.674 -15.592 3.974 1.00 0.00 C ATOM 993 CE LYS A 65 9.847 -16.029 4.839 1.00 0.00 C ATOM 994 NZ LYS A 65 9.626 -17.377 5.434 1.00 0.00 N ATOM 0 H LYS A 65 4.836 -16.844 5.656 1.00 0.00 H new ATOM 0 HA LYS A 65 5.182 -14.102 5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.031 -16.643 3.889 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.272 -15.137 3.026 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.452 -14.288 5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.447 -15.957 5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.454 -16.366 3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.944 -14.693 3.420 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.756 -16.042 4.238 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.002 -15.301 5.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.119 -17.438 6.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.608 -17.530 5.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.997 -18.105 4.791 1.00 0.00 H new ATOM 1008 N VAL A 66 3.157 -15.565 3.104 1.00 0.00 N ATOM 1009 CA VAL A 66 2.154 -15.310 2.077 1.00 0.00 C ATOM 1010 C VAL A 66 1.073 -14.365 2.587 1.00 0.00 C ATOM 1011 O VAL A 66 0.637 -13.460 1.875 1.00 0.00 O ATOM 1012 CB VAL A 66 1.494 -16.618 1.600 1.00 0.00 C ATOM 1013 CG1 VAL A 66 0.507 -16.340 0.477 1.00 0.00 C ATOM 1014 CG2 VAL A 66 2.552 -17.617 1.156 1.00 0.00 C ATOM 0 H VAL A 66 3.231 -16.542 3.388 1.00 0.00 H new ATOM 0 HA VAL A 66 2.672 -14.846 1.238 1.00 0.00 H new ATOM 0 HB VAL A 66 0.944 -17.052 2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.051 -17.276 0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.269 -15.663 0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.030 -15.882 -0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.068 -18.535 0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.131 -17.193 0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.216 -17.840 1.992 1.00 0.00 H new ATOM 1024 N TYR A 67 0.644 -14.580 3.826 1.00 0.00 N ATOM 1025 CA TYR A 67 -0.389 -13.749 4.432 1.00 0.00 C ATOM 1026 C TYR A 67 0.085 -12.305 4.571 1.00 0.00 C ATOM 1027 O TYR A 67 -0.692 -11.366 4.404 1.00 0.00 O ATOM 1028 CB TYR A 67 -0.780 -14.303 5.804 1.00 0.00 C ATOM 1029 CG TYR A 67 -1.981 -13.616 6.414 1.00 0.00 C ATOM 1030 CD1 TYR A 67 -3.244 -13.755 5.854 1.00 0.00 C ATOM 1031 CD2 TYR A 67 -1.851 -12.830 7.553 1.00 0.00 C ATOM 1032 CE1 TYR A 67 -4.344 -13.129 6.408 1.00 0.00 C ATOM 1033 CE2 TYR A 67 -2.946 -12.202 8.115 1.00 0.00 C ATOM 1034 CZ TYR A 67 -4.190 -12.354 7.539 1.00 0.00 C ATOM 1035 OH TYR A 67 -5.283 -11.730 8.095 1.00 0.00 O ATOM 0 H TYR A 67 0.996 -15.323 4.430 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.261 -13.765 3.779 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.990 -15.368 5.710 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.068 -14.204 6.482 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.369 -14.363 4.970 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.878 -12.708 8.006 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.319 -13.246 5.958 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.828 -11.595 9.001 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.004 -11.225 8.887 1.00 0.00 H new ATOM 1045 N ASN A 68 1.368 -12.138 4.876 1.00 0.00 N ATOM 1046 CA ASN A 68 1.948 -10.809 5.037 1.00 0.00 C ATOM 1047 C ASN A 68 1.910 -10.036 3.722 1.00 0.00 C ATOM 1048 O ASN A 68 1.564 -8.855 3.695 1.00 0.00 O ATOM 1049 CB ASN A 68 3.390 -10.917 5.537 1.00 0.00 C ATOM 1050 CG ASN A 68 3.474 -10.978 7.050 1.00 0.00 C ATOM 1051 OD1 ASN A 68 3.299 -9.969 7.734 1.00 0.00 O ATOM 1052 ND2 ASN A 68 3.744 -12.165 7.580 1.00 0.00 N ATOM 0 H ASN A 68 2.025 -12.905 5.017 1.00 0.00 H new ATOM 0 HA ASN A 68 1.355 -10.267 5.773 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.853 -11.809 5.114 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.961 -10.061 5.178 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.814 -12.268 8.592 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.882 -12.974 6.975 1.00 0.00 H new ATOM 1059 N TRP A 69 2.268 -10.711 2.636 1.00 0.00 N ATOM 1060 CA TRP A 69 2.274 -10.088 1.317 1.00 0.00 C ATOM 1061 C TRP A 69 0.853 -9.815 0.837 1.00 0.00 C ATOM 1062 O TRP A 69 0.558 -8.737 0.320 1.00 0.00 O ATOM 1063 CB TRP A 69 3.003 -10.981 0.312 1.00 0.00 C ATOM 1064 CG TRP A 69 3.071 -10.393 -1.065 1.00 0.00 C ATOM 1065 CD1 TRP A 69 4.109 -9.689 -1.605 1.00 0.00 C ATOM 1066 CD2 TRP A 69 2.058 -10.456 -2.075 1.00 0.00 C ATOM 1067 NE1 TRP A 69 3.802 -9.311 -2.890 1.00 0.00 N ATOM 1068 CE2 TRP A 69 2.550 -9.770 -3.203 1.00 0.00 C ATOM 1069 CE3 TRP A 69 0.784 -11.027 -2.138 1.00 0.00 C ATOM 1070 CZ2 TRP A 69 1.812 -9.640 -4.376 1.00 0.00 C ATOM 1071 CZ3 TRP A 69 0.052 -10.897 -3.303 1.00 0.00 C ATOM 1072 CH2 TRP A 69 0.568 -10.209 -4.409 1.00 0.00 C ATOM 0 H TRP A 69 2.558 -11.689 2.642 1.00 0.00 H new ATOM 0 HA TRP A 69 2.800 -9.136 1.395 1.00 0.00 H new ATOM 0 HB2 TRP A 69 4.015 -11.167 0.670 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.500 -11.946 0.263 1.00 0.00 H new ATOM 0 HD1 TRP A 69 5.035 -9.463 -1.097 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.409 -8.775 -3.511 1.00 0.00 H new ATOM 0 HE3 TRP A 69 0.379 -11.561 -1.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.207 -9.109 -5.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.934 -11.333 -3.362 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -0.028 -10.126 -5.306 1.00 0.00 H new ATOM 1083 N PHE A 70 -0.025 -10.798 1.011 1.00 0.00 N ATOM 1084 CA PHE A 70 -1.416 -10.663 0.594 1.00 0.00 C ATOM 1085 C PHE A 70 -2.093 -9.506 1.324 1.00 0.00 C ATOM 1086 O PHE A 70 -2.830 -8.726 0.722 1.00 0.00 O ATOM 1087 CB PHE A 70 -2.178 -11.963 0.859 1.00 0.00 C ATOM 1088 CG PHE A 70 -2.137 -12.927 -0.292 1.00 0.00 C ATOM 1089 CD1 PHE A 70 -0.935 -13.471 -0.715 1.00 0.00 C ATOM 1090 CD2 PHE A 70 -3.301 -13.288 -0.952 1.00 0.00 C ATOM 1091 CE1 PHE A 70 -0.895 -14.359 -1.774 1.00 0.00 C ATOM 1092 CE2 PHE A 70 -3.266 -14.175 -2.011 1.00 0.00 C ATOM 1093 CZ PHE A 70 -2.062 -14.711 -2.423 1.00 0.00 C ATOM 0 H PHE A 70 0.202 -11.696 1.438 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.430 -10.453 -0.475 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.760 -12.446 1.742 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.217 -11.726 1.087 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.019 -13.198 -0.212 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.246 -12.872 -0.635 1.00 0.00 H new ATOM 0 HE1 PHE A 70 0.048 -14.777 -2.093 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.180 -14.449 -2.516 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.033 -15.404 -3.251 1.00 0.00 H new ATOM 1103 N ALA A 71 -1.836 -9.403 2.624 1.00 0.00 N ATOM 1104 CA ALA A 71 -2.419 -8.342 3.435 1.00 0.00 C ATOM 1105 C ALA A 71 -1.990 -6.968 2.932 1.00 0.00 C ATOM 1106 O ALA A 71 -2.769 -6.016 2.958 1.00 0.00 O ATOM 1107 CB ALA A 71 -2.026 -8.518 4.895 1.00 0.00 C ATOM 0 H ALA A 71 -1.228 -10.041 3.137 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.504 -8.408 3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.468 -7.719 5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.387 -9.481 5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.941 -8.480 4.987 1.00 0.00 H new ATOM 1113 N ASN A 72 -0.746 -6.872 2.475 1.00 0.00 N ATOM 1114 CA ASN A 72 -0.213 -5.613 1.967 1.00 0.00 C ATOM 1115 C ASN A 72 -0.973 -5.164 0.722 1.00 0.00 C ATOM 1116 O ASN A 72 -1.217 -3.973 0.527 1.00 0.00 O ATOM 1117 CB ASN A 72 1.275 -5.757 1.645 1.00 0.00 C ATOM 1118 CG ASN A 72 2.002 -4.426 1.660 1.00 0.00 C ATOM 1119 OD1 ASN A 72 2.796 -4.150 2.559 1.00 0.00 O ATOM 1120 ND2 ASN A 72 1.733 -3.594 0.660 1.00 0.00 N ATOM 0 H ASN A 72 -0.088 -7.651 2.446 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.338 -4.856 2.741 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.737 -6.428 2.369 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.389 -6.219 0.664 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.192 -2.684 0.616 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.067 -3.865 -0.064 1.00 0.00 H new ATOM 1127 N ARG A 73 -1.344 -6.126 -0.117 1.00 0.00 N ATOM 1128 CA ARG A 73 -2.075 -5.830 -1.343 1.00 0.00 C ATOM 1129 C ARG A 73 -3.528 -5.479 -1.038 1.00 0.00 C ATOM 1130 O ARG A 73 -4.096 -4.565 -1.638 1.00 0.00 O ATOM 1131 CB ARG A 73 -2.017 -7.024 -2.297 1.00 0.00 C ATOM 1132 CG ARG A 73 -2.928 -6.883 -3.506 1.00 0.00 C ATOM 1133 CD ARG A 73 -2.373 -5.884 -4.508 1.00 0.00 C ATOM 1134 NE ARG A 73 -3.421 -5.309 -5.347 1.00 0.00 N ATOM 1135 CZ ARG A 73 -3.179 -4.615 -6.454 1.00 0.00 C ATOM 1136 NH1 ARG A 73 -1.932 -4.411 -6.853 1.00 0.00 N ATOM 1137 NH2 ARG A 73 -4.187 -4.124 -7.164 1.00 0.00 N ATOM 0 H ARG A 73 -1.150 -7.117 0.030 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.604 -4.970 -1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.991 -7.155 -2.640 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.289 -7.928 -1.751 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.049 -7.854 -3.987 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.918 -6.563 -3.182 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.857 -5.086 -3.975 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.633 -6.377 -5.139 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.392 -5.448 -5.068 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.155 -4.787 -6.310 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.749 -3.878 -7.703 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.148 -4.279 -6.860 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.001 -3.591 -8.014 1.00 0.00 H new ATOM 1151 N ARG A 74 -4.125 -6.211 -0.103 1.00 0.00 N ATOM 1152 CA ARG A 74 -5.512 -5.978 0.280 1.00 0.00 C ATOM 1153 C ARG A 74 -5.675 -4.604 0.924 1.00 0.00 C ATOM 1154 O ARG A 74 -6.602 -3.860 0.600 1.00 0.00 O ATOM 1155 CB ARG A 74 -5.986 -7.065 1.247 1.00 0.00 C ATOM 1156 CG ARG A 74 -5.996 -8.458 0.639 1.00 0.00 C ATOM 1157 CD ARG A 74 -7.079 -9.328 1.257 1.00 0.00 C ATOM 1158 NE ARG A 74 -6.750 -9.722 2.625 1.00 0.00 N ATOM 1159 CZ ARG A 74 -5.987 -10.767 2.925 1.00 0.00 C ATOM 1160 NH1 ARG A 74 -5.477 -11.519 1.960 1.00 0.00 N ATOM 1161 NH2 ARG A 74 -5.734 -11.062 4.194 1.00 0.00 N ATOM 0 H ARG A 74 -3.670 -6.970 0.403 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.122 -6.012 -0.623 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.340 -7.065 2.125 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.991 -6.821 1.591 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.156 -8.385 -0.437 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.023 -8.927 0.786 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.025 -8.787 1.253 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.220 -10.220 0.647 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.127 -9.164 3.391 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.670 -11.296 0.984 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.891 -12.321 2.194 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.126 -10.486 4.939 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.148 -11.865 4.424 1.00 0.00 H new ATOM 1175 N LYS A 75 -4.769 -4.273 1.837 1.00 0.00 N ATOM 1176 CA LYS A 75 -4.810 -2.989 2.526 1.00 0.00 C ATOM 1177 C LYS A 75 -4.532 -1.842 1.559 1.00 0.00 C ATOM 1178 O LYS A 75 -5.071 -0.747 1.709 1.00 0.00 O ATOM 1179 CB LYS A 75 -3.791 -2.966 3.668 1.00 0.00 C ATOM 1180 CG LYS A 75 -2.405 -2.522 3.236 1.00 0.00 C ATOM 1181 CD LYS A 75 -1.331 -3.063 4.166 1.00 0.00 C ATOM 1182 CE LYS A 75 -1.446 -2.462 5.559 1.00 0.00 C ATOM 1183 NZ LYS A 75 -0.213 -2.685 6.362 1.00 0.00 N ATOM 0 H LYS A 75 -3.996 -4.877 2.117 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.811 -2.859 2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.150 -2.298 4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.725 -3.962 4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.213 -2.864 2.219 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.359 -1.433 3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.415 -4.148 4.229 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.346 -2.843 3.754 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.638 -1.392 5.478 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.300 -2.901 6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.331 -2.261 7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.043 -3.706 6.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.598 -2.244 5.883 1.00 0.00 H new ATOM 1197 N GLU A 76 -3.687 -2.104 0.566 1.00 0.00 N ATOM 1198 CA GLU A 76 -3.339 -1.094 -0.426 1.00 0.00 C ATOM 1199 C GLU A 76 -4.550 -0.727 -1.278 1.00 0.00 C ATOM 1200 O GLU A 76 -4.775 0.444 -1.585 1.00 0.00 O ATOM 1201 CB GLU A 76 -2.204 -1.596 -1.321 1.00 0.00 C ATOM 1202 CG GLU A 76 -0.819 -1.295 -0.774 1.00 0.00 C ATOM 1203 CD GLU A 76 0.280 -1.984 -1.560 1.00 0.00 C ATOM 1204 OE1 GLU A 76 0.234 -3.227 -1.679 1.00 0.00 O ATOM 1205 OE2 GLU A 76 1.187 -1.282 -2.054 1.00 0.00 O ATOM 0 H GLU A 76 -3.232 -3.006 0.428 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.006 -0.201 0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.307 -2.673 -1.454 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.302 -1.142 -2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.652 -0.218 -0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.768 -1.610 0.268 1.00 0.00 H new ATOM 1212 N ILE A 77 -5.326 -1.737 -1.658 1.00 0.00 N ATOM 1213 CA ILE A 77 -6.514 -1.521 -2.474 1.00 0.00 C ATOM 1214 C ILE A 77 -7.668 -0.985 -1.634 1.00 0.00 C ATOM 1215 O ILE A 77 -8.400 -0.092 -2.062 1.00 0.00 O ATOM 1216 CB ILE A 77 -6.962 -2.820 -3.171 1.00 0.00 C ATOM 1217 CG1 ILE A 77 -7.200 -3.923 -2.137 1.00 0.00 C ATOM 1218 CG2 ILE A 77 -5.922 -3.259 -4.191 1.00 0.00 C ATOM 1219 CD1 ILE A 77 -7.722 -5.210 -2.737 1.00 0.00 C ATOM 0 H ILE A 77 -5.153 -2.712 -1.414 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.246 -0.785 -3.232 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.899 -2.630 -3.695 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.266 -4.128 -1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.910 -3.564 -1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.252 -4.178 -4.675 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.796 -2.478 -4.941 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.971 -3.436 -3.688 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.868 -5.947 -1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.672 -5.020 -3.235 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -7.003 -5.592 -3.461 1.00 0.00 H new ATOM 1231 N LYS A 78 -7.825 -1.534 -0.434 1.00 0.00 N ATOM 1232 CA LYS A 78 -8.888 -1.110 0.469 1.00 0.00 C ATOM 1233 C LYS A 78 -8.711 0.351 0.870 1.00 0.00 C ATOM 1234 O LYS A 78 -9.680 1.107 0.944 1.00 0.00 O ATOM 1235 CB LYS A 78 -8.907 -1.994 1.718 1.00 0.00 C ATOM 1236 CG LYS A 78 -9.999 -1.625 2.707 1.00 0.00 C ATOM 1237 CD LYS A 78 -9.522 -0.579 3.701 1.00 0.00 C ATOM 1238 CE LYS A 78 -10.514 -0.399 4.840 1.00 0.00 C ATOM 1239 NZ LYS A 78 -10.107 0.698 5.761 1.00 0.00 N ATOM 0 H LYS A 78 -7.229 -2.274 -0.064 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.838 -1.212 -0.055 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.038 -3.033 1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.940 -1.926 2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.867 -1.246 2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.322 -2.517 3.243 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.553 -0.874 4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.378 0.372 3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.501 -0.183 4.431 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.598 -1.331 5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.808 0.789 6.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.176 0.480 6.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.052 1.592 5.233 1.00 0.00 H new ATOM 1253 N ARG A 79 -7.467 0.743 1.126 1.00 0.00 N ATOM 1254 CA ARG A 79 -7.163 2.114 1.519 1.00 0.00 C ATOM 1255 C ARG A 79 -7.340 3.068 0.342 1.00 0.00 C ATOM 1256 O ARG A 79 -7.778 4.206 0.513 1.00 0.00 O ATOM 1257 CB ARG A 79 -5.733 2.208 2.055 1.00 0.00 C ATOM 1258 CG ARG A 79 -5.342 3.607 2.503 1.00 0.00 C ATOM 1259 CD ARG A 79 -3.841 3.827 2.393 1.00 0.00 C ATOM 1260 NE ARG A 79 -3.404 3.940 1.004 1.00 0.00 N ATOM 1261 CZ ARG A 79 -2.137 3.834 0.621 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -1.186 3.612 1.518 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -1.819 3.948 -0.662 1.00 0.00 N ATOM 0 H ARG A 79 -6.653 0.131 1.068 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.859 2.403 2.307 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -5.623 1.522 2.895 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.041 1.877 1.281 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.865 4.345 1.894 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.659 3.762 3.534 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -3.567 4.733 2.934 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.317 2.999 2.871 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.111 4.110 0.289 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.427 3.522 2.505 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.214 3.531 1.221 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.548 4.117 -1.355 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.845 3.866 -0.955 1.00 0.00 H new ATOM 1277 N ARG A 80 -6.995 2.598 -0.853 1.00 0.00 N ATOM 1278 CA ARG A 80 -7.115 3.410 -2.057 1.00 0.00 C ATOM 1279 C ARG A 80 -8.573 3.529 -2.491 1.00 0.00 C ATOM 1280 O ARG A 80 -8.918 4.372 -3.318 1.00 0.00 O ATOM 1281 CB ARG A 80 -6.282 2.806 -3.190 1.00 0.00 C ATOM 1282 CG ARG A 80 -6.039 3.763 -4.345 1.00 0.00 C ATOM 1283 CD ARG A 80 -5.832 3.017 -5.653 1.00 0.00 C ATOM 1284 NE ARG A 80 -4.444 2.600 -5.832 1.00 0.00 N ATOM 1285 CZ ARG A 80 -4.060 1.680 -6.709 1.00 0.00 C ATOM 1286 NH1 ARG A 80 -4.956 1.083 -7.483 1.00 0.00 N ATOM 1287 NH2 ARG A 80 -2.778 1.354 -6.813 1.00 0.00 N ATOM 0 H ARG A 80 -6.630 1.659 -1.012 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.739 4.408 -1.830 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.321 2.482 -2.790 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -6.787 1.917 -3.567 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -6.887 4.441 -4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -5.163 4.376 -4.132 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -6.480 2.141 -5.677 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -6.129 3.655 -6.485 1.00 0.00 H new ATOM 0 HE ARG A 80 -3.730 3.040 -5.251 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -5.943 1.330 -7.405 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.659 0.377 -8.156 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -2.086 1.810 -6.219 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.485 0.647 -7.487 1.00 0.00 H new ATOM 1301 N ALA A 81 -9.424 2.678 -1.927 1.00 0.00 N ATOM 1302 CA ALA A 81 -10.844 2.688 -2.254 1.00 0.00 C ATOM 1303 C ALA A 81 -11.652 3.394 -1.170 1.00 0.00 C ATOM 1304 O ALA A 81 -12.751 3.885 -1.422 1.00 0.00 O ATOM 1305 CB ALA A 81 -11.351 1.267 -2.451 1.00 0.00 C ATOM 0 H ALA A 81 -9.154 1.973 -1.241 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.973 3.240 -3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.413 1.290 -2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.802 0.794 -3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.201 0.697 -1.534 1.00 0.00 H new ATOM 1311 N ASN A 82 -11.099 3.440 0.038 1.00 0.00 N ATOM 1312 CA ASN A 82 -11.769 4.085 1.161 1.00 0.00 C ATOM 1313 C ASN A 82 -11.174 5.464 1.431 1.00 0.00 C ATOM 1314 O ASN A 82 -11.324 6.013 2.523 1.00 0.00 O ATOM 1315 CB ASN A 82 -11.659 3.216 2.416 1.00 0.00 C ATOM 1316 CG ASN A 82 -12.817 2.245 2.550 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -13.982 2.642 2.504 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -12.500 0.967 2.717 1.00 0.00 N ATOM 0 H ASN A 82 -10.189 3.038 0.264 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.821 4.207 0.902 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -10.723 2.659 2.388 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -11.622 3.857 3.297 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -13.236 0.267 2.813 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -11.520 0.684 2.749 1.00 0.00 H new ATOM 1325 N ILE A 83 -10.499 6.017 0.429 1.00 0.00 N ATOM 1326 CA ILE A 83 -9.883 7.332 0.557 1.00 0.00 C ATOM 1327 C ILE A 83 -10.911 8.383 0.963 1.00 0.00 C ATOM 1328 O ILE A 83 -10.835 8.952 2.052 1.00 0.00 O ATOM 1329 CB ILE A 83 -9.210 7.769 -0.757 1.00 0.00 C ATOM 1330 CG1 ILE A 83 -7.985 6.899 -1.042 1.00 0.00 C ATOM 1331 CG2 ILE A 83 -8.819 9.238 -0.688 1.00 0.00 C ATOM 1332 CD1 ILE A 83 -7.416 7.092 -2.430 1.00 0.00 C ATOM 0 H ILE A 83 -10.365 5.575 -0.480 1.00 0.00 H new ATOM 0 HA ILE A 83 -9.123 7.250 1.335 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.921 7.640 -1.573 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -7.212 7.123 -0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -8.255 5.851 -0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -8.344 9.533 -1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -9.710 9.845 -0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -8.122 9.391 0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.550 6.444 -2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -8.174 6.840 -3.172 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.114 8.131 -2.558 1.00 0.00 H new ATOM 1344 N ALA A 84 -11.872 8.635 0.081 1.00 0.00 N ATOM 1345 CA ALA A 84 -12.918 9.615 0.348 1.00 0.00 C ATOM 1346 C ALA A 84 -12.337 11.020 0.460 1.00 0.00 C ATOM 1347 O ALA A 84 -12.750 11.807 1.312 1.00 0.00 O ATOM 1348 CB ALA A 84 -13.670 9.250 1.619 1.00 0.00 C ATOM 0 H ALA A 84 -11.948 8.174 -0.826 1.00 0.00 H new ATOM 0 HA ALA A 84 -13.615 9.604 -0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -14.448 9.990 1.807 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.125 8.266 1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.976 9.232 2.460 1.00 0.00 H new ATOM 1354 N ALA A 85 -11.376 11.329 -0.405 1.00 0.00 N ATOM 1355 CA ALA A 85 -10.740 12.641 -0.404 1.00 0.00 C ATOM 1356 C ALA A 85 -11.246 13.497 -1.560 1.00 0.00 C ATOM 1357 O ALA A 85 -11.094 13.134 -2.726 1.00 0.00 O ATOM 1358 CB ALA A 85 -9.228 12.494 -0.475 1.00 0.00 C ATOM 0 H ALA A 85 -11.021 10.689 -1.115 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.001 13.144 0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.766 13.481 -0.474 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -8.877 11.928 0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.956 11.968 -1.390 1.00 0.00 H new ATOM 1364 N ILE A 86 -11.847 14.635 -1.228 1.00 0.00 N ATOM 1365 CA ILE A 86 -12.374 15.542 -2.240 1.00 0.00 C ATOM 1366 C ILE A 86 -11.507 16.791 -2.364 1.00 0.00 C ATOM 1367 O ILE A 86 -11.257 17.279 -3.466 1.00 0.00 O ATOM 1368 CB ILE A 86 -13.820 15.965 -1.919 1.00 0.00 C ATOM 1369 CG1 ILE A 86 -14.734 14.739 -1.872 1.00 0.00 C ATOM 1370 CG2 ILE A 86 -14.320 16.967 -2.948 1.00 0.00 C ATOM 1371 CD1 ILE A 86 -14.709 13.917 -3.142 1.00 0.00 C ATOM 0 H ILE A 86 -11.981 14.950 -0.267 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.364 15.000 -3.185 1.00 0.00 H new ATOM 0 HB ILE A 86 -13.834 16.443 -0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -14.438 14.107 -1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -15.756 15.065 -1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -15.343 17.256 -2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.681 17.850 -2.936 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -14.295 16.514 -3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -15.380 13.064 -3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -15.034 14.533 -3.981 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.695 13.560 -3.325 1.00 0.00 H new ATOM 1383 N LEU A 87 -11.050 17.302 -1.226 1.00 0.00 N ATOM 1384 CA LEU A 87 -10.209 18.493 -1.206 1.00 0.00 C ATOM 1385 C LEU A 87 -9.030 18.343 -2.163 1.00 0.00 C ATOM 1386 O LEU A 87 -8.487 17.252 -2.326 1.00 0.00 O ATOM 1387 CB LEU A 87 -9.699 18.758 0.212 1.00 0.00 C ATOM 1388 CG LEU A 87 -8.930 20.064 0.415 1.00 0.00 C ATOM 1389 CD1 LEU A 87 -9.891 21.226 0.605 1.00 0.00 C ATOM 1390 CD2 LEU A 87 -7.989 19.948 1.606 1.00 0.00 C ATOM 0 H LEU A 87 -11.248 16.910 -0.305 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.813 19.340 -1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.552 18.753 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.053 17.930 0.505 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.334 20.255 -0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -9.325 22.147 0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -10.524 21.323 -0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.514 21.043 1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.450 20.886 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.566 19.733 2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.277 19.142 1.430 1.00 0.00 H new ATOM 1402 N GLU A 88 -8.640 19.448 -2.790 1.00 0.00 N ATOM 1403 CA GLU A 88 -7.524 19.439 -3.730 1.00 0.00 C ATOM 1404 C GLU A 88 -6.190 19.406 -2.989 1.00 0.00 C ATOM 1405 O GLU A 88 -5.630 20.448 -2.651 1.00 0.00 O ATOM 1406 CB GLU A 88 -7.584 20.667 -4.640 1.00 0.00 C ATOM 1407 CG GLU A 88 -8.462 20.474 -5.865 1.00 0.00 C ATOM 1408 CD GLU A 88 -9.941 20.521 -5.536 1.00 0.00 C ATOM 1409 OE1 GLU A 88 -10.424 21.596 -5.124 1.00 0.00 O ATOM 1410 OE2 GLU A 88 -10.616 19.482 -5.692 1.00 0.00 O ATOM 0 H GLU A 88 -9.079 20.360 -2.665 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.604 18.540 -4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.956 21.516 -4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.574 20.919 -4.963 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.232 21.247 -6.598 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.227 19.516 -6.328 1.00 0.00 H new ATOM 1417 N SER A 89 -5.688 18.200 -2.740 1.00 0.00 N ATOM 1418 CA SER A 89 -4.422 18.030 -2.036 1.00 0.00 C ATOM 1419 C SER A 89 -3.245 18.372 -2.945 1.00 0.00 C ATOM 1420 O SER A 89 -3.371 18.371 -4.169 1.00 0.00 O ATOM 1421 CB SER A 89 -4.287 16.594 -1.527 1.00 0.00 C ATOM 1422 OG SER A 89 -3.949 15.708 -2.580 1.00 0.00 O ATOM 0 H SER A 89 -6.138 17.327 -3.015 1.00 0.00 H new ATOM 0 HA SER A 89 -4.412 18.712 -1.186 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.522 16.550 -0.752 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.224 16.278 -1.069 1.00 0.00 H new ATOM 0 HG SER A 89 -3.867 14.797 -2.228 1.00 0.00 H new ATOM 1428 N SER A 90 -2.101 18.665 -2.335 1.00 0.00 N ATOM 1429 CA SER A 90 -0.901 19.013 -3.087 1.00 0.00 C ATOM 1430 C SER A 90 -0.445 17.843 -3.954 1.00 0.00 C ATOM 1431 O SER A 90 -0.083 18.022 -5.116 1.00 0.00 O ATOM 1432 CB SER A 90 0.222 19.425 -2.134 1.00 0.00 C ATOM 1433 OG SER A 90 0.649 18.328 -1.344 1.00 0.00 O ATOM 0 H SER A 90 -1.980 18.668 -1.322 1.00 0.00 H new ATOM 0 HA SER A 90 -1.141 19.853 -3.738 1.00 0.00 H new ATOM 0 HB2 SER A 90 1.064 19.815 -2.706 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.124 20.231 -1.486 1.00 0.00 H new ATOM 0 HG SER A 90 1.368 18.617 -0.745 1.00 0.00 H new ATOM 1439 N GLY A 91 -0.465 16.645 -3.379 1.00 0.00 N ATOM 1440 CA GLY A 91 -0.052 15.463 -4.112 1.00 0.00 C ATOM 1441 C GLY A 91 0.916 14.601 -3.324 1.00 0.00 C ATOM 1442 O GLY A 91 1.404 14.990 -2.263 1.00 0.00 O ATOM 0 H GLY A 91 -0.760 16.472 -2.418 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.932 14.873 -4.370 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.415 15.765 -5.049 1.00 0.00 H new ATOM 1446 N PRO A 92 1.206 13.401 -3.847 1.00 0.00 N ATOM 1447 CA PRO A 92 2.122 12.457 -3.202 1.00 0.00 C ATOM 1448 C PRO A 92 3.570 12.933 -3.244 1.00 0.00 C ATOM 1449 O PRO A 92 4.258 12.771 -4.252 1.00 0.00 O ATOM 1450 CB PRO A 92 1.956 11.179 -4.029 1.00 0.00 C ATOM 1451 CG PRO A 92 1.498 11.650 -5.366 1.00 0.00 C ATOM 1452 CD PRO A 92 0.661 12.873 -5.109 1.00 0.00 C ATOM 0 HA PRO A 92 1.895 12.329 -2.144 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.895 10.630 -4.103 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.228 10.506 -3.576 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.346 11.886 -6.009 1.00 0.00 H new ATOM 0 HG3 PRO A 92 0.918 10.879 -5.874 1.00 0.00 H new ATOM 0 HD2 PRO A 92 0.749 13.597 -5.919 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.396 12.624 -5.017 1.00 0.00 H new ATOM 1460 N SER A 93 4.027 13.522 -2.144 1.00 0.00 N ATOM 1461 CA SER A 93 5.393 14.025 -2.057 1.00 0.00 C ATOM 1462 C SER A 93 5.709 14.495 -0.640 1.00 0.00 C ATOM 1463 O SER A 93 4.851 15.044 0.050 1.00 0.00 O ATOM 1464 CB SER A 93 5.599 15.174 -3.046 1.00 0.00 C ATOM 1465 OG SER A 93 4.991 16.365 -2.577 1.00 0.00 O ATOM 0 H SER A 93 3.471 13.663 -1.300 1.00 0.00 H new ATOM 0 HA SER A 93 6.072 13.211 -2.311 1.00 0.00 H new ATOM 0 HB2 SER A 93 6.665 15.341 -3.197 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.178 14.904 -4.015 1.00 0.00 H new ATOM 0 HG SER A 93 5.138 17.085 -3.226 1.00 0.00 H new ATOM 1471 N SER A 94 6.949 14.275 -0.214 1.00 0.00 N ATOM 1472 CA SER A 94 7.380 14.672 1.122 1.00 0.00 C ATOM 1473 C SER A 94 6.755 16.006 1.520 1.00 0.00 C ATOM 1474 O SER A 94 6.180 16.137 2.599 1.00 0.00 O ATOM 1475 CB SER A 94 8.905 14.773 1.180 1.00 0.00 C ATOM 1476 OG SER A 94 9.506 13.498 1.034 1.00 0.00 O ATOM 0 H SER A 94 7.673 13.824 -0.774 1.00 0.00 H new ATOM 0 HA SER A 94 7.047 13.910 1.826 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.259 15.438 0.392 1.00 0.00 H new ATOM 0 HB3 SER A 94 9.208 15.215 2.129 1.00 0.00 H new ATOM 0 HG SER A 94 10.481 13.590 1.073 1.00 0.00 H new ATOM 1482 N GLY A 95 6.874 16.995 0.639 1.00 0.00 N ATOM 1483 CA GLY A 95 6.317 18.306 0.915 1.00 0.00 C ATOM 1484 C GLY A 95 5.352 18.765 -0.161 1.00 0.00 C ATOM 1485 O GLY A 95 4.338 18.114 -0.413 1.00 0.00 O ATOM 0 H GLY A 95 7.346 16.911 -0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.802 18.283 1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.127 19.030 1.005 1.00 0.00 H new TER 1489 GLY A 95