USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 794 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 58 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.1) USER MOD Set 1.2: A 60 TYR OH : rot 30:sc= 0.0937 USER MOD Set 1.3: A 96 CYS SG : rot -86:sc= -0.336 USER MOD Set 2.1: A 45 SER OG : rot 180:sc= 0.0171 USER MOD Set 2.2: A 59 HIS : no HE2:sc= -3.62 K(o=-3.6,f=-7.4!) USER MOD Set 3.1: A 35 SER OG : rot 42:sc= 0.491 USER MOD Set 3.2: A 37 THR OG1 : rot 23:sc= -0.388 USER MOD Set 4.1: A 25 ASN : amide:sc= -1.76! X(o=-0.5!,f=-0.53) USER MOD Set 4.2: A 29 SER OG : rot 56:sc= 1.26 USER MOD Set 4.3: A 103 CYS SG : rot 19:sc=-0.00222 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.22 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl -160:sc= -0.085 (180deg=-0.613) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : A 56 THR OG1 : rot -23:sc= 0.322 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00363 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -1.26 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -170:sc= -0.135 USER MOD Single : A 82 GLN : amide:sc= 0.199 K(o=0.2,f=-3.3!) USER MOD Single : A 87 HIS : no HE2:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 88 TYR OH : rot -110:sc= -6.65! USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.827 K(o=-0.83,f=-6.9!) USER MOD Single : A 97 GLN :FLIP amide:sc= -0.954 F(o=-3.2!,f=-0.95) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 176:sc= -2.07! USER MOD Single : A 104 MET CE :methyl 151:sc= -0.194 (180deg=-0.869) USER MOD ----------------------------------------------------------------- ATOM 47 N GLU A 4 8.501 1.072 4.386 1.00 0.00 N ATOM 48 CA GLU A 4 9.342 0.687 5.507 1.00 0.00 C ATOM 49 C GLU A 4 8.899 1.416 6.777 1.00 0.00 C ATOM 50 O GLU A 4 9.050 2.632 6.884 1.00 0.00 O ATOM 51 CB GLU A 4 10.817 0.958 5.205 1.00 0.00 C ATOM 52 CG GLU A 4 11.585 -0.350 5.007 1.00 0.00 C ATOM 53 CD GLU A 4 11.431 -0.866 3.575 1.00 0.00 C ATOM 54 OE1 GLU A 4 12.127 -0.315 2.695 1.00 0.00 O ATOM 55 OE2 GLU A 4 10.620 -1.800 3.393 1.00 0.00 O ATOM 0 HA GLU A 4 9.230 -0.385 5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.901 1.573 4.309 1.00 0.00 H new ATOM 0 HB3 GLU A 4 11.261 1.525 6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.641 -0.193 5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.220 -1.100 5.709 1.00 0.00 H new ATOM 62 N GLU A 5 8.361 0.642 7.709 1.00 0.00 N ATOM 63 CA GLU A 5 7.896 1.199 8.967 1.00 0.00 C ATOM 64 C GLU A 5 8.649 0.566 10.139 1.00 0.00 C ATOM 65 O GLU A 5 8.038 -0.023 11.029 1.00 0.00 O ATOM 66 CB GLU A 5 6.385 1.015 9.123 1.00 0.00 C ATOM 67 CG GLU A 5 5.619 1.926 8.162 1.00 0.00 C ATOM 68 CD GLU A 5 4.114 1.667 8.242 1.00 0.00 C ATOM 69 OE1 GLU A 5 3.749 0.479 8.377 1.00 0.00 O ATOM 70 OE2 GLU A 5 3.361 2.662 8.165 1.00 0.00 O ATOM 0 H GLU A 5 8.237 -0.366 7.617 1.00 0.00 H new ATOM 0 HA GLU A 5 8.100 2.270 8.965 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.120 -0.025 8.932 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.092 1.235 10.150 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.825 2.969 8.402 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.966 1.759 7.142 1.00 0.00 H new ATOM 77 N TRP A 6 9.966 0.710 10.101 1.00 0.00 N ATOM 78 CA TRP A 6 10.809 0.159 11.149 1.00 0.00 C ATOM 79 C TRP A 6 11.073 1.264 12.173 1.00 0.00 C ATOM 80 O TRP A 6 11.479 0.987 13.300 1.00 0.00 O ATOM 81 CB TRP A 6 12.092 -0.434 10.564 1.00 0.00 C ATOM 82 CG TRP A 6 12.818 0.493 9.587 1.00 0.00 C ATOM 83 CD1 TRP A 6 12.872 0.404 8.251 1.00 0.00 C ATOM 84 CD2 TRP A 6 13.596 1.660 9.926 1.00 0.00 C ATOM 85 NE1 TRP A 6 13.624 1.425 7.707 1.00 0.00 N ATOM 86 CE2 TRP A 6 14.079 2.212 8.758 1.00 0.00 C ATOM 87 CE3 TRP A 6 13.883 2.230 11.179 1.00 0.00 C ATOM 88 CZ2 TRP A 6 14.877 3.362 8.726 1.00 0.00 C ATOM 89 CZ3 TRP A 6 14.682 3.378 11.130 1.00 0.00 C ATOM 90 CH2 TRP A 6 15.176 3.947 9.962 1.00 0.00 C ATOM 0 H TRP A 6 10.470 1.200 9.362 1.00 0.00 H new ATOM 0 HA TRP A 6 10.309 -0.669 11.652 1.00 0.00 H new ATOM 0 HB2 TRP A 6 12.769 -0.686 11.381 1.00 0.00 H new ATOM 0 HB3 TRP A 6 11.849 -1.365 10.053 1.00 0.00 H new ATOM 0 HD1 TRP A 6 12.388 -0.369 7.673 1.00 0.00 H new ATOM 0 HE1 TRP A 6 13.811 1.575 6.716 1.00 0.00 H new ATOM 0 HE3 TRP A 6 13.516 1.815 12.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 15.242 3.775 7.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 14.932 3.855 12.066 1.00 0.00 H new ATOM 0 HH2 TRP A 6 15.787 4.836 10.008 1.00 0.00 H new ATOM 101 N PHE A 7 10.833 2.495 11.743 1.00 0.00 N ATOM 102 CA PHE A 7 11.041 3.643 12.609 1.00 0.00 C ATOM 103 C PHE A 7 9.719 4.120 13.214 1.00 0.00 C ATOM 104 O PHE A 7 8.669 4.013 12.582 1.00 0.00 O ATOM 105 CB PHE A 7 11.621 4.760 11.739 1.00 0.00 C ATOM 106 CG PHE A 7 11.599 6.139 12.400 1.00 0.00 C ATOM 107 CD1 PHE A 7 12.253 6.341 13.575 1.00 0.00 C ATOM 108 CD2 PHE A 7 10.924 7.164 11.812 1.00 0.00 C ATOM 109 CE1 PHE A 7 12.232 7.621 14.189 1.00 0.00 C ATOM 110 CE2 PHE A 7 10.903 8.444 12.426 1.00 0.00 C ATOM 111 CZ PHE A 7 11.557 8.646 13.601 1.00 0.00 C ATOM 0 H PHE A 7 10.497 2.722 10.807 1.00 0.00 H new ATOM 0 HA PHE A 7 11.709 3.375 13.427 1.00 0.00 H new ATOM 0 HB2 PHE A 7 12.650 4.509 11.481 1.00 0.00 H new ATOM 0 HB3 PHE A 7 11.061 4.807 10.805 1.00 0.00 H new ATOM 0 HD1 PHE A 7 12.789 5.527 14.041 1.00 0.00 H new ATOM 0 HD2 PHE A 7 10.405 7.004 10.879 1.00 0.00 H new ATOM 0 HE1 PHE A 7 12.751 7.781 15.122 1.00 0.00 H new ATOM 0 HE2 PHE A 7 10.367 9.258 11.960 1.00 0.00 H new ATOM 0 HZ PHE A 7 11.541 9.620 14.068 1.00 0.00 H new ATOM 121 N PHE A 8 9.813 4.635 14.431 1.00 0.00 N ATOM 122 CA PHE A 8 8.638 5.128 15.128 1.00 0.00 C ATOM 123 C PHE A 8 8.910 6.494 15.763 1.00 0.00 C ATOM 124 O PHE A 8 10.063 6.866 15.972 1.00 0.00 O ATOM 125 CB PHE A 8 8.318 4.120 16.233 1.00 0.00 C ATOM 126 CG PHE A 8 7.400 2.979 15.788 1.00 0.00 C ATOM 127 CD1 PHE A 8 7.831 2.083 14.860 1.00 0.00 C ATOM 128 CD2 PHE A 8 6.154 2.862 16.320 1.00 0.00 C ATOM 129 CE1 PHE A 8 6.979 1.024 14.447 1.00 0.00 C ATOM 130 CE2 PHE A 8 5.302 1.804 15.907 1.00 0.00 C ATOM 131 CZ PHE A 8 5.733 0.907 14.979 1.00 0.00 C ATOM 0 H PHE A 8 10.685 4.721 14.952 1.00 0.00 H new ATOM 0 HA PHE A 8 7.810 5.241 14.428 1.00 0.00 H new ATOM 0 HB2 PHE A 8 9.251 3.698 16.606 1.00 0.00 H new ATOM 0 HB3 PHE A 8 7.850 4.645 17.066 1.00 0.00 H new ATOM 0 HD1 PHE A 8 8.820 2.177 14.437 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.812 3.574 17.057 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.321 0.312 13.711 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.312 1.711 16.329 1.00 0.00 H new ATOM 0 HZ PHE A 8 5.085 0.102 14.665 1.00 0.00 H new ATOM 141 N LYS A 9 7.828 7.202 16.051 1.00 0.00 N ATOM 142 CA LYS A 9 7.935 8.518 16.658 1.00 0.00 C ATOM 143 C LYS A 9 8.609 8.391 18.026 1.00 0.00 C ATOM 144 O LYS A 9 9.020 7.301 18.420 1.00 0.00 O ATOM 145 CB LYS A 9 6.565 9.198 16.708 1.00 0.00 C ATOM 146 CG LYS A 9 6.366 10.119 15.502 1.00 0.00 C ATOM 147 CD LYS A 9 5.602 9.403 14.387 1.00 0.00 C ATOM 148 CE LYS A 9 6.237 9.679 13.022 1.00 0.00 C ATOM 149 NZ LYS A 9 6.183 8.470 12.171 1.00 0.00 N ATOM 0 H LYS A 9 6.873 6.889 15.875 1.00 0.00 H new ATOM 0 HA LYS A 9 8.566 9.167 16.051 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.780 8.442 16.726 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.474 9.774 17.629 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.820 11.011 15.807 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.335 10.451 15.129 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.594 8.330 14.578 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.563 9.734 14.382 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.715 10.500 12.531 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.273 9.993 13.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.618 8.675 11.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.701 7.696 12.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.192 8.188 12.031 1.00 0.00 H new ATOM 163 N GLY A 10 8.702 9.521 18.711 1.00 0.00 N ATOM 164 CA GLY A 10 9.319 9.550 20.027 1.00 0.00 C ATOM 165 C GLY A 10 8.471 8.787 21.047 1.00 0.00 C ATOM 166 O GLY A 10 7.856 9.391 21.924 1.00 0.00 O ATOM 0 H GLY A 10 8.361 10.423 18.380 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.315 9.110 19.975 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.443 10.583 20.352 1.00 0.00 H new ATOM 170 N ILE A 11 8.466 7.470 20.897 1.00 0.00 N ATOM 171 CA ILE A 11 7.704 6.619 21.795 1.00 0.00 C ATOM 172 C ILE A 11 8.510 6.381 23.073 1.00 0.00 C ATOM 173 O ILE A 11 9.728 6.553 23.083 1.00 0.00 O ATOM 174 CB ILE A 11 7.284 5.331 21.084 1.00 0.00 C ATOM 175 CG1 ILE A 11 5.909 4.863 21.563 1.00 0.00 C ATOM 176 CG2 ILE A 11 8.348 4.243 21.245 1.00 0.00 C ATOM 177 CD1 ILE A 11 5.475 3.593 20.828 1.00 0.00 C ATOM 0 H ILE A 11 8.977 6.972 20.168 1.00 0.00 H new ATOM 0 HA ILE A 11 6.777 7.110 22.090 1.00 0.00 H new ATOM 0 HB ILE A 11 7.199 5.542 20.018 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.939 4.674 22.636 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.175 5.652 21.398 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.024 3.338 20.730 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.289 4.588 20.816 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.490 4.027 22.304 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.494 3.282 21.188 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.423 3.792 19.758 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.198 2.799 21.015 1.00 0.00 H new ATOM 189 N SER A 12 7.799 5.988 24.119 1.00 0.00 N ATOM 190 CA SER A 12 8.434 5.725 25.399 1.00 0.00 C ATOM 191 C SER A 12 9.073 4.335 25.390 1.00 0.00 C ATOM 192 O SER A 12 8.787 3.522 24.512 1.00 0.00 O ATOM 193 CB SER A 12 7.428 5.839 26.547 1.00 0.00 C ATOM 194 OG SER A 12 6.743 4.611 26.780 1.00 0.00 O ATOM 0 H SER A 12 6.789 5.845 24.106 1.00 0.00 H new ATOM 0 HA SER A 12 9.210 6.474 25.556 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.948 6.142 27.456 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.704 6.621 26.318 1.00 0.00 H new ATOM 0 HG SER A 12 6.111 4.724 27.521 1.00 0.00 H new ATOM 200 N ARG A 13 9.926 4.105 26.377 1.00 0.00 N ATOM 201 CA ARG A 13 10.609 2.827 26.494 1.00 0.00 C ATOM 202 C ARG A 13 9.642 1.753 26.995 1.00 0.00 C ATOM 203 O ARG A 13 9.841 0.566 26.740 1.00 0.00 O ATOM 204 CB ARG A 13 11.796 2.923 27.454 1.00 0.00 C ATOM 205 CG ARG A 13 12.503 1.572 27.588 1.00 0.00 C ATOM 206 CD ARG A 13 11.994 0.805 28.810 1.00 0.00 C ATOM 207 NE ARG A 13 12.757 -0.452 28.973 1.00 0.00 N ATOM 208 CZ ARG A 13 13.936 -0.539 29.603 1.00 0.00 C ATOM 209 NH1 ARG A 13 14.495 0.558 30.133 1.00 0.00 N ATOM 210 NH2 ARG A 13 14.558 -1.722 29.702 1.00 0.00 N ATOM 0 H ARG A 13 10.160 4.782 27.103 1.00 0.00 H new ATOM 0 HA ARG A 13 10.978 2.556 25.505 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.501 3.672 27.093 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.451 3.256 28.433 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.337 0.980 26.688 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.578 1.727 27.674 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.096 1.420 29.704 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.933 0.584 28.695 1.00 0.00 H new ATOM 0 HE ARG A 13 12.360 -1.306 28.581 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.023 1.459 30.057 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.393 0.492 30.613 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.134 -2.557 29.298 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.456 -1.788 30.182 1.00 0.00 H new ATOM 224 N LYS A 14 8.615 2.207 27.699 1.00 0.00 N ATOM 225 CA LYS A 14 7.617 1.299 28.237 1.00 0.00 C ATOM 226 C LYS A 14 6.535 1.054 27.183 1.00 0.00 C ATOM 227 O LYS A 14 5.894 0.004 27.180 1.00 0.00 O ATOM 228 CB LYS A 14 7.072 1.829 29.565 1.00 0.00 C ATOM 229 CG LYS A 14 7.956 1.390 30.735 1.00 0.00 C ATOM 230 CD LYS A 14 7.242 1.602 32.071 1.00 0.00 C ATOM 231 CE LYS A 14 7.592 2.966 32.670 1.00 0.00 C ATOM 232 NZ LYS A 14 7.363 2.965 34.132 1.00 0.00 N ATOM 0 H LYS A 14 8.453 3.192 27.909 1.00 0.00 H new ATOM 0 HA LYS A 14 8.065 0.332 28.465 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.020 2.917 29.532 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.056 1.465 29.716 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.219 0.338 30.622 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.888 1.955 30.723 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.164 1.530 31.927 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.524 0.812 32.767 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.634 3.205 32.460 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.986 3.742 32.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.606 3.898 34.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.363 2.758 34.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.960 2.238 34.576 1.00 0.00 H new ATOM 246 N ASP A 15 6.366 2.040 26.315 1.00 0.00 N ATOM 247 CA ASP A 15 5.373 1.944 25.258 1.00 0.00 C ATOM 248 C ASP A 15 5.899 1.027 24.152 1.00 0.00 C ATOM 249 O ASP A 15 5.137 0.267 23.556 1.00 0.00 O ATOM 250 CB ASP A 15 5.091 3.315 24.641 1.00 0.00 C ATOM 251 CG ASP A 15 3.994 4.124 25.337 1.00 0.00 C ATOM 252 OD1 ASP A 15 2.873 3.581 25.448 1.00 0.00 O ATOM 253 OD2 ASP A 15 4.301 5.266 25.741 1.00 0.00 O ATOM 0 H ASP A 15 6.900 2.909 26.322 1.00 0.00 H new ATOM 0 HA ASP A 15 4.455 1.549 25.693 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.012 3.897 24.650 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.812 3.176 23.596 1.00 0.00 H new ATOM 258 N ALA A 16 7.198 1.129 23.910 1.00 0.00 N ATOM 259 CA ALA A 16 7.834 0.318 22.886 1.00 0.00 C ATOM 260 C ALA A 16 8.000 -1.112 23.403 1.00 0.00 C ATOM 261 O ALA A 16 7.986 -2.063 22.624 1.00 0.00 O ATOM 262 CB ALA A 16 9.169 0.953 22.489 1.00 0.00 C ATOM 0 H ALA A 16 7.827 1.761 24.405 1.00 0.00 H new ATOM 0 HA ALA A 16 7.214 0.274 21.991 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.647 0.345 21.721 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.994 1.956 22.101 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.819 1.010 23.362 1.00 0.00 H new ATOM 268 N GLU A 17 8.152 -1.219 24.715 1.00 0.00 N ATOM 269 CA GLU A 17 8.319 -2.517 25.346 1.00 0.00 C ATOM 270 C GLU A 17 6.989 -3.272 25.368 1.00 0.00 C ATOM 271 O GLU A 17 6.970 -4.502 25.409 1.00 0.00 O ATOM 272 CB GLU A 17 8.890 -2.371 26.758 1.00 0.00 C ATOM 273 CG GLU A 17 10.420 -2.383 26.734 1.00 0.00 C ATOM 274 CD GLU A 17 10.974 -3.494 27.628 1.00 0.00 C ATOM 275 OE1 GLU A 17 10.377 -4.593 27.603 1.00 0.00 O ATOM 276 OE2 GLU A 17 11.980 -3.221 28.317 1.00 0.00 O ATOM 0 H GLU A 17 8.163 -0.428 25.358 1.00 0.00 H new ATOM 0 HA GLU A 17 9.033 -3.095 24.759 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.537 -1.441 27.203 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.526 -3.183 27.387 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.770 -2.526 25.712 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.800 -1.418 27.069 1.00 0.00 H new ATOM 283 N ARG A 18 5.909 -2.505 25.339 1.00 0.00 N ATOM 284 CA ARG A 18 4.578 -3.087 25.355 1.00 0.00 C ATOM 285 C ARG A 18 4.115 -3.394 23.929 1.00 0.00 C ATOM 286 O ARG A 18 3.240 -4.233 23.724 1.00 0.00 O ATOM 287 CB ARG A 18 3.572 -2.143 26.018 1.00 0.00 C ATOM 288 CG ARG A 18 3.390 -2.487 27.497 1.00 0.00 C ATOM 289 CD ARG A 18 2.176 -3.395 27.703 1.00 0.00 C ATOM 290 NE ARG A 18 1.044 -2.612 28.248 1.00 0.00 N ATOM 291 CZ ARG A 18 -0.039 -3.155 28.819 1.00 0.00 C ATOM 292 NH1 ARG A 18 -0.145 -4.487 28.923 1.00 0.00 N ATOM 293 NH2 ARG A 18 -1.017 -2.367 29.285 1.00 0.00 N ATOM 0 H ARG A 18 5.929 -1.486 25.305 1.00 0.00 H new ATOM 0 HA ARG A 18 4.627 -4.011 25.931 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.915 -1.113 25.920 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.613 -2.209 25.505 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.286 -2.981 27.872 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.266 -1.571 28.075 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.890 -3.853 26.756 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.430 -4.206 28.386 1.00 0.00 H new ATOM 0 HE ARG A 18 1.092 -1.595 28.185 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.599 -5.087 28.567 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.970 -4.901 29.358 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.937 -1.353 29.205 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.842 -2.781 29.720 1.00 0.00 H new ATOM 307 N GLN A 19 4.724 -2.697 22.981 1.00 0.00 N ATOM 308 CA GLN A 19 4.386 -2.885 21.580 1.00 0.00 C ATOM 309 C GLN A 19 5.018 -4.174 21.050 1.00 0.00 C ATOM 310 O GLN A 19 4.442 -4.845 20.195 1.00 0.00 O ATOM 311 CB GLN A 19 4.818 -1.678 20.745 1.00 0.00 C ATOM 312 CG GLN A 19 3.838 -0.515 20.914 1.00 0.00 C ATOM 313 CD GLN A 19 3.440 0.068 19.557 1.00 0.00 C ATOM 314 OE1 GLN A 19 2.477 -0.345 18.933 1.00 0.00 O ATOM 315 NE2 GLN A 19 4.234 1.049 19.136 1.00 0.00 N ATOM 0 H GLN A 19 5.449 -2.001 23.155 1.00 0.00 H new ATOM 0 HA GLN A 19 3.303 -2.974 21.496 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.817 -1.363 21.045 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.875 -1.960 19.694 1.00 0.00 H new ATOM 0 HG2 GLN A 19 2.948 -0.858 21.441 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.293 0.262 21.528 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.024 1.347 19.708 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.053 1.503 18.241 1.00 0.00 H new ATOM 324 N LEU A 20 6.193 -4.480 21.579 1.00 0.00 N ATOM 325 CA LEU A 20 6.910 -5.676 21.169 1.00 0.00 C ATOM 326 C LEU A 20 6.365 -6.880 21.939 1.00 0.00 C ATOM 327 O LEU A 20 6.292 -7.984 21.402 1.00 0.00 O ATOM 328 CB LEU A 20 8.419 -5.477 21.326 1.00 0.00 C ATOM 329 CG LEU A 20 9.091 -4.592 20.275 1.00 0.00 C ATOM 330 CD1 LEU A 20 10.389 -3.988 20.815 1.00 0.00 C ATOM 331 CD2 LEU A 20 9.317 -5.362 18.972 1.00 0.00 C ATOM 0 H LEU A 20 6.667 -3.921 22.288 1.00 0.00 H new ATOM 0 HA LEU A 20 6.747 -5.874 20.110 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.608 -5.047 22.309 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.898 -6.456 21.308 1.00 0.00 H new ATOM 0 HG LEU A 20 8.420 -3.764 20.048 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.846 -3.363 20.048 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.170 -3.381 21.694 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.076 -4.788 21.089 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.796 -4.709 18.242 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.957 -6.223 19.164 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.359 -5.703 18.580 1.00 0.00 H new ATOM 343 N LEU A 21 5.996 -6.627 23.186 1.00 0.00 N ATOM 344 CA LEU A 21 5.460 -7.677 24.036 1.00 0.00 C ATOM 345 C LEU A 21 4.039 -8.018 23.583 1.00 0.00 C ATOM 346 O LEU A 21 3.510 -9.073 23.930 1.00 0.00 O ATOM 347 CB LEU A 21 5.556 -7.275 25.509 1.00 0.00 C ATOM 348 CG LEU A 21 6.904 -7.528 26.187 1.00 0.00 C ATOM 349 CD1 LEU A 21 6.963 -6.852 27.559 1.00 0.00 C ATOM 350 CD2 LEU A 21 7.202 -9.026 26.273 1.00 0.00 C ATOM 0 H LEU A 21 6.058 -5.710 23.628 1.00 0.00 H new ATOM 0 HA LEU A 21 6.053 -8.586 23.938 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.324 -6.213 25.591 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.787 -7.813 26.063 1.00 0.00 H new ATOM 0 HG LEU A 21 7.685 -7.079 25.573 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.931 -7.047 28.020 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.828 -5.777 27.441 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.172 -7.250 28.195 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.166 -9.178 26.759 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.422 -9.520 26.852 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.231 -9.449 25.269 1.00 0.00 H new ATOM 362 N ALA A 22 3.463 -7.107 22.813 1.00 0.00 N ATOM 363 CA ALA A 22 2.114 -7.298 22.309 1.00 0.00 C ATOM 364 C ALA A 22 2.036 -8.633 21.565 1.00 0.00 C ATOM 365 O ALA A 22 3.034 -9.104 21.022 1.00 0.00 O ATOM 366 CB ALA A 22 1.727 -6.113 21.421 1.00 0.00 C ATOM 0 H ALA A 22 3.906 -6.234 22.526 1.00 0.00 H new ATOM 0 HA ALA A 22 1.400 -7.336 23.131 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.715 -6.257 21.043 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.770 -5.193 22.003 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.421 -6.044 20.583 1.00 0.00 H new ATOM 372 N PRO A 23 0.810 -9.221 21.565 1.00 0.00 N ATOM 373 CA PRO A 23 0.589 -10.492 20.897 1.00 0.00 C ATOM 374 C PRO A 23 0.542 -10.313 19.379 1.00 0.00 C ATOM 375 O PRO A 23 0.488 -11.292 18.636 1.00 0.00 O ATOM 376 CB PRO A 23 -0.715 -11.019 21.474 1.00 0.00 C ATOM 377 CG PRO A 23 -1.411 -9.818 22.094 1.00 0.00 C ATOM 378 CD PRO A 23 -0.395 -8.692 22.198 1.00 0.00 C ATOM 0 HA PRO A 23 1.399 -11.202 21.066 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.332 -11.470 20.697 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.528 -11.791 22.221 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.260 -9.511 21.483 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.803 -10.071 23.079 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.747 -7.793 21.691 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -0.210 -8.420 23.237 1.00 0.00 H new ATOM 386 N GLY A 24 0.564 -9.055 18.962 1.00 0.00 N ATOM 387 CA GLY A 24 0.524 -8.735 17.546 1.00 0.00 C ATOM 388 C GLY A 24 1.906 -8.895 16.908 1.00 0.00 C ATOM 389 O GLY A 24 2.033 -8.891 15.685 1.00 0.00 O ATOM 0 H GLY A 24 0.609 -8.245 19.581 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.190 -9.386 17.042 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.173 -7.712 17.411 1.00 0.00 H new ATOM 393 N ASN A 25 2.906 -9.033 17.766 1.00 0.00 N ATOM 394 CA ASN A 25 4.273 -9.194 17.302 1.00 0.00 C ATOM 395 C ASN A 25 4.807 -10.552 17.764 1.00 0.00 C ATOM 396 O ASN A 25 4.122 -11.282 18.479 1.00 0.00 O ATOM 397 CB ASN A 25 5.182 -8.108 17.879 1.00 0.00 C ATOM 398 CG ASN A 25 4.861 -6.742 17.268 1.00 0.00 C ATOM 399 OD1 ASN A 25 5.319 -6.390 16.194 1.00 0.00 O ATOM 400 ND2 ASN A 25 4.049 -5.995 18.011 1.00 0.00 N ATOM 0 H ASN A 25 2.797 -9.037 18.780 1.00 0.00 H new ATOM 0 HA ASN A 25 4.271 -9.122 16.214 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.060 -8.064 18.961 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.225 -8.361 17.686 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.774 -5.067 17.690 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.701 -6.351 18.901 1.00 0.00 H new ATOM 407 N MET A 26 6.025 -10.849 17.337 1.00 0.00 N ATOM 408 CA MET A 26 6.659 -12.106 17.698 1.00 0.00 C ATOM 409 C MET A 26 8.181 -11.961 17.737 1.00 0.00 C ATOM 410 O MET A 26 8.732 -11.005 17.193 1.00 0.00 O ATOM 411 CB MET A 26 6.274 -13.182 16.680 1.00 0.00 C ATOM 412 CG MET A 26 6.928 -12.913 15.324 1.00 0.00 C ATOM 413 SD MET A 26 6.496 -14.205 14.170 1.00 0.00 S ATOM 414 CE MET A 26 6.079 -13.219 12.742 1.00 0.00 C ATOM 0 H MET A 26 6.590 -10.241 16.744 1.00 0.00 H new ATOM 0 HA MET A 26 6.315 -12.393 18.692 1.00 0.00 H new ATOM 0 HB2 MET A 26 6.580 -14.161 17.047 1.00 0.00 H new ATOM 0 HB3 MET A 26 5.190 -13.209 16.566 1.00 0.00 H new ATOM 0 HG2 MET A 26 6.602 -11.947 14.939 1.00 0.00 H new ATOM 0 HG3 MET A 26 8.011 -12.862 15.437 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.784 -13.873 11.922 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.253 -12.552 12.989 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.945 -12.629 12.442 1.00 0.00 H new ATOM 424 N LEU A 27 8.819 -12.924 18.386 1.00 0.00 N ATOM 425 CA LEU A 27 10.267 -12.916 18.504 1.00 0.00 C ATOM 426 C LEU A 27 10.880 -12.475 17.173 1.00 0.00 C ATOM 427 O LEU A 27 10.460 -12.931 16.111 1.00 0.00 O ATOM 428 CB LEU A 27 10.773 -14.274 18.993 1.00 0.00 C ATOM 429 CG LEU A 27 11.832 -14.238 20.097 1.00 0.00 C ATOM 430 CD1 LEU A 27 13.215 -13.929 19.519 1.00 0.00 C ATOM 431 CD2 LEU A 27 11.440 -13.254 21.201 1.00 0.00 C ATOM 0 H LEU A 27 8.359 -13.716 18.836 1.00 0.00 H new ATOM 0 HA LEU A 27 10.583 -12.194 19.257 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.920 -14.849 19.354 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.184 -14.815 18.140 1.00 0.00 H new ATOM 0 HG LEU A 27 11.886 -15.227 20.552 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.950 -13.909 20.324 1.00 0.00 H new ATOM 0 HD12 LEU A 27 13.488 -14.699 18.797 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.194 -12.958 19.023 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.210 -13.248 21.973 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.341 -12.254 20.779 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.489 -13.558 21.639 1.00 0.00 H new ATOM 443 N GLY A 28 11.863 -11.593 17.274 1.00 0.00 N ATOM 444 CA GLY A 28 12.538 -11.085 16.092 1.00 0.00 C ATOM 445 C GLY A 28 12.095 -9.654 15.780 1.00 0.00 C ATOM 446 O GLY A 28 12.823 -8.903 15.133 1.00 0.00 O ATOM 0 H GLY A 28 12.209 -11.217 18.157 1.00 0.00 H new ATOM 0 HA2 GLY A 28 13.617 -11.110 16.246 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.322 -11.730 15.240 1.00 0.00 H new ATOM 450 N SER A 29 10.904 -9.321 16.254 1.00 0.00 N ATOM 451 CA SER A 29 10.356 -7.993 16.034 1.00 0.00 C ATOM 452 C SER A 29 11.307 -6.935 16.597 1.00 0.00 C ATOM 453 O SER A 29 11.808 -7.075 17.711 1.00 0.00 O ATOM 454 CB SER A 29 8.972 -7.856 16.671 1.00 0.00 C ATOM 455 OG SER A 29 8.018 -8.726 16.068 1.00 0.00 O ATOM 0 H SER A 29 10.303 -9.947 16.789 1.00 0.00 H new ATOM 0 HA SER A 29 10.248 -7.841 14.960 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.040 -8.075 17.737 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.631 -6.825 16.579 1.00 0.00 H new ATOM 0 HG SER A 29 8.343 -9.649 16.113 1.00 0.00 H new ATOM 461 N PHE A 30 11.526 -5.899 15.800 1.00 0.00 N ATOM 462 CA PHE A 30 12.407 -4.817 16.205 1.00 0.00 C ATOM 463 C PHE A 30 11.835 -3.459 15.792 1.00 0.00 C ATOM 464 O PHE A 30 11.078 -3.369 14.826 1.00 0.00 O ATOM 465 CB PHE A 30 13.741 -5.034 15.488 1.00 0.00 C ATOM 466 CG PHE A 30 13.641 -4.993 13.962 1.00 0.00 C ATOM 467 CD1 PHE A 30 13.393 -6.135 13.266 1.00 0.00 C ATOM 468 CD2 PHE A 30 13.800 -3.815 13.302 1.00 0.00 C ATOM 469 CE1 PHE A 30 13.301 -6.097 11.849 1.00 0.00 C ATOM 470 CE2 PHE A 30 13.707 -3.777 11.885 1.00 0.00 C ATOM 471 CZ PHE A 30 13.459 -4.919 11.189 1.00 0.00 C ATOM 0 H PHE A 30 11.109 -5.786 14.876 1.00 0.00 H new ATOM 0 HA PHE A 30 12.522 -4.818 17.289 1.00 0.00 H new ATOM 0 HB2 PHE A 30 14.447 -4.271 15.816 1.00 0.00 H new ATOM 0 HB3 PHE A 30 14.151 -5.998 15.789 1.00 0.00 H new ATOM 0 HD1 PHE A 30 13.266 -7.070 13.791 1.00 0.00 H new ATOM 0 HD2 PHE A 30 13.997 -2.908 13.855 1.00 0.00 H new ATOM 0 HE1 PHE A 30 13.106 -7.004 11.296 1.00 0.00 H new ATOM 0 HE2 PHE A 30 13.833 -2.841 11.360 1.00 0.00 H new ATOM 0 HZ PHE A 30 13.388 -4.890 10.112 1.00 0.00 H new ATOM 481 N MET A 31 12.218 -2.438 16.543 1.00 0.00 N ATOM 482 CA MET A 31 11.753 -1.089 16.267 1.00 0.00 C ATOM 483 C MET A 31 12.822 -0.056 16.626 1.00 0.00 C ATOM 484 O MET A 31 13.630 -0.280 17.526 1.00 0.00 O ATOM 485 CB MET A 31 10.483 -0.812 17.074 1.00 0.00 C ATOM 486 CG MET A 31 10.731 -1.007 18.571 1.00 0.00 C ATOM 487 SD MET A 31 9.728 0.133 19.510 1.00 0.00 S ATOM 488 CE MET A 31 8.131 -0.647 19.340 1.00 0.00 C ATOM 0 H MET A 31 12.846 -2.517 17.343 1.00 0.00 H new ATOM 0 HA MET A 31 11.541 -1.009 15.201 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.145 0.207 16.888 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.686 -1.478 16.744 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.495 -2.032 18.857 1.00 0.00 H new ATOM 0 HG3 MET A 31 11.785 -0.848 18.797 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.347 0.081 19.546 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.017 -1.026 18.324 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.053 -1.474 20.046 1.00 0.00 H new ATOM 498 N ILE A 32 12.792 1.055 15.905 1.00 0.00 N ATOM 499 CA ILE A 32 13.749 2.124 16.136 1.00 0.00 C ATOM 500 C ILE A 32 13.011 3.359 16.657 1.00 0.00 C ATOM 501 O ILE A 32 11.890 3.641 16.235 1.00 0.00 O ATOM 502 CB ILE A 32 14.573 2.387 14.874 1.00 0.00 C ATOM 503 CG1 ILE A 32 15.658 1.323 14.696 1.00 0.00 C ATOM 504 CG2 ILE A 32 15.155 3.802 14.885 1.00 0.00 C ATOM 505 CD1 ILE A 32 16.190 1.317 13.262 1.00 0.00 C ATOM 0 H ILE A 32 12.120 1.238 15.160 1.00 0.00 H new ATOM 0 HA ILE A 32 14.467 1.834 16.903 1.00 0.00 H new ATOM 0 HB ILE A 32 13.909 2.318 14.012 1.00 0.00 H new ATOM 0 HG12 ILE A 32 16.476 1.513 15.390 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.253 0.341 14.942 1.00 0.00 H new ATOM 0 HG21 ILE A 32 15.736 3.963 13.977 1.00 0.00 H new ATOM 0 HG22 ILE A 32 14.344 4.529 14.931 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.800 3.923 15.755 1.00 0.00 H new ATOM 0 HD11 ILE A 32 16.960 0.552 13.163 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.374 1.102 12.572 1.00 0.00 H new ATOM 0 HD13 ILE A 32 16.616 2.293 13.028 1.00 0.00 H new ATOM 517 N ARG A 33 13.669 4.062 17.567 1.00 0.00 N ATOM 518 CA ARG A 33 13.090 5.260 18.151 1.00 0.00 C ATOM 519 C ARG A 33 14.194 6.197 18.644 1.00 0.00 C ATOM 520 O ARG A 33 15.220 5.743 19.148 1.00 0.00 O ATOM 521 CB ARG A 33 12.166 4.912 19.319 1.00 0.00 C ATOM 522 CG ARG A 33 12.968 4.416 20.524 1.00 0.00 C ATOM 523 CD ARG A 33 12.047 3.807 21.583 1.00 0.00 C ATOM 524 NE ARG A 33 12.849 3.286 22.712 1.00 0.00 N ATOM 525 CZ ARG A 33 13.339 4.047 23.701 1.00 0.00 C ATOM 526 NH1 ARG A 33 13.111 5.367 23.705 1.00 0.00 N ATOM 527 NH2 ARG A 33 14.056 3.488 24.684 1.00 0.00 N ATOM 0 H ARG A 33 14.598 3.825 17.914 1.00 0.00 H new ATOM 0 HA ARG A 33 12.506 5.757 17.377 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.584 5.790 19.601 1.00 0.00 H new ATOM 0 HB3 ARG A 33 11.456 4.145 19.010 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.696 3.673 20.200 1.00 0.00 H new ATOM 0 HG3 ARG A 33 13.529 5.244 20.958 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.345 4.559 21.942 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.456 3.003 21.144 1.00 0.00 H new ATOM 0 HE ARG A 33 13.041 2.285 22.740 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.565 5.792 22.956 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.483 5.947 24.457 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.230 2.483 24.681 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.429 4.067 25.436 1.00 0.00 H new ATOM 541 N ASP A 34 13.946 7.489 18.481 1.00 0.00 N ATOM 542 CA ASP A 34 14.907 8.494 18.904 1.00 0.00 C ATOM 543 C ASP A 34 14.868 8.621 20.428 1.00 0.00 C ATOM 544 O ASP A 34 13.824 8.418 21.045 1.00 0.00 O ATOM 545 CB ASP A 34 14.571 9.862 18.307 1.00 0.00 C ATOM 546 CG ASP A 34 15.782 10.722 17.939 1.00 0.00 C ATOM 547 OD1 ASP A 34 16.341 11.341 18.870 1.00 0.00 O ATOM 548 OD2 ASP A 34 16.120 10.741 16.736 1.00 0.00 O ATOM 0 H ASP A 34 13.094 7.862 18.062 1.00 0.00 H new ATOM 0 HA ASP A 34 15.894 8.183 18.561 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.965 9.713 17.413 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.957 10.412 19.020 1.00 0.00 H new ATOM 553 N SER A 35 16.019 8.956 20.991 1.00 0.00 N ATOM 554 CA SER A 35 16.130 9.113 22.431 1.00 0.00 C ATOM 555 C SER A 35 15.399 10.380 22.878 1.00 0.00 C ATOM 556 O SER A 35 15.613 11.455 22.318 1.00 0.00 O ATOM 557 CB SER A 35 17.596 9.164 22.869 1.00 0.00 C ATOM 558 OG SER A 35 17.731 9.509 24.245 1.00 0.00 O ATOM 0 H SER A 35 16.883 9.123 20.476 1.00 0.00 H new ATOM 0 HA SER A 35 15.667 8.248 22.905 1.00 0.00 H new ATOM 0 HB2 SER A 35 18.061 8.194 22.691 1.00 0.00 H new ATOM 0 HB3 SER A 35 18.131 9.891 22.259 1.00 0.00 H new ATOM 0 HG SER A 35 17.058 9.028 24.770 1.00 0.00 H new ATOM 564 N GLU A 36 14.550 10.213 23.882 1.00 0.00 N ATOM 565 CA GLU A 36 13.786 11.330 24.409 1.00 0.00 C ATOM 566 C GLU A 36 14.630 12.126 25.408 1.00 0.00 C ATOM 567 O GLU A 36 14.254 13.228 25.804 1.00 0.00 O ATOM 568 CB GLU A 36 12.484 10.849 25.053 1.00 0.00 C ATOM 569 CG GLU A 36 12.713 10.431 26.507 1.00 0.00 C ATOM 570 CD GLU A 36 11.505 9.668 27.055 1.00 0.00 C ATOM 571 OE1 GLU A 36 11.140 8.654 26.422 1.00 0.00 O ATOM 572 OE2 GLU A 36 10.975 10.117 28.094 1.00 0.00 O ATOM 0 H GLU A 36 14.375 9.321 24.344 1.00 0.00 H new ATOM 0 HA GLU A 36 13.522 11.987 23.580 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.739 11.644 25.012 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.084 10.007 24.488 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.603 9.806 26.573 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.898 11.314 27.118 1.00 0.00 H new ATOM 579 N THR A 37 15.754 11.536 25.786 1.00 0.00 N ATOM 580 CA THR A 37 16.654 12.176 26.730 1.00 0.00 C ATOM 581 C THR A 37 17.661 13.061 25.992 1.00 0.00 C ATOM 582 O THR A 37 17.426 14.254 25.807 1.00 0.00 O ATOM 583 CB THR A 37 17.311 11.082 27.574 1.00 0.00 C ATOM 584 OG1 THR A 37 17.602 10.049 26.636 1.00 0.00 O ATOM 585 CG2 THR A 37 16.332 10.431 28.553 1.00 0.00 C ATOM 0 H THR A 37 16.062 10.621 25.456 1.00 0.00 H new ATOM 0 HA THR A 37 16.113 12.843 27.401 1.00 0.00 H new ATOM 0 HB THR A 37 18.150 11.504 28.127 1.00 0.00 H new ATOM 0 HG1 THR A 37 17.661 10.432 25.736 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.849 9.662 29.127 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.939 11.188 29.232 1.00 0.00 H new ATOM 0 HG23 THR A 37 15.510 9.979 27.999 1.00 0.00 H new ATOM 593 N THR A 38 18.761 12.441 25.590 1.00 0.00 N ATOM 594 CA THR A 38 19.804 13.157 24.876 1.00 0.00 C ATOM 595 C THR A 38 19.478 13.227 23.383 1.00 0.00 C ATOM 596 O THR A 38 19.854 12.339 22.619 1.00 0.00 O ATOM 597 CB THR A 38 21.138 12.470 25.174 1.00 0.00 C ATOM 598 OG1 THR A 38 21.385 12.771 26.545 1.00 0.00 O ATOM 599 CG2 THR A 38 22.310 13.118 24.434 1.00 0.00 C ATOM 0 H THR A 38 18.952 11.451 25.745 1.00 0.00 H new ATOM 0 HA THR A 38 19.872 14.192 25.211 1.00 0.00 H new ATOM 0 HB THR A 38 21.073 11.417 24.899 1.00 0.00 H new ATOM 0 HG1 THR A 38 22.231 12.362 26.822 1.00 0.00 H new ATOM 0 HG21 THR A 38 23.232 12.592 24.681 1.00 0.00 H new ATOM 0 HG22 THR A 38 22.137 13.062 23.359 1.00 0.00 H new ATOM 0 HG23 THR A 38 22.397 14.162 24.734 1.00 0.00 H new ATOM 607 N LYS A 39 18.781 14.290 23.011 1.00 0.00 N ATOM 608 CA LYS A 39 18.399 14.488 21.623 1.00 0.00 C ATOM 609 C LYS A 39 19.645 14.401 20.739 1.00 0.00 C ATOM 610 O LYS A 39 20.692 14.948 21.081 1.00 0.00 O ATOM 611 CB LYS A 39 17.620 15.795 21.462 1.00 0.00 C ATOM 612 CG LYS A 39 16.126 15.576 21.710 1.00 0.00 C ATOM 613 CD LYS A 39 15.285 16.552 20.884 1.00 0.00 C ATOM 614 CE LYS A 39 14.406 17.419 21.788 1.00 0.00 C ATOM 615 NZ LYS A 39 14.060 18.689 21.111 1.00 0.00 N ATOM 0 H LYS A 39 18.470 15.024 23.647 1.00 0.00 H new ATOM 0 HA LYS A 39 17.721 13.699 21.298 1.00 0.00 H new ATOM 0 HB2 LYS A 39 18.003 16.539 22.160 1.00 0.00 H new ATOM 0 HB3 LYS A 39 17.772 16.192 20.458 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.857 14.551 21.453 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.906 15.707 22.770 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.940 17.188 20.289 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.659 15.997 20.185 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.496 16.878 22.047 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.929 17.628 22.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.463 19.265 21.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.931 19.211 20.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.542 18.484 20.233 1.00 0.00 H new ATOM 629 N GLY A 40 19.490 13.711 19.619 1.00 0.00 N ATOM 630 CA GLY A 40 20.589 13.546 18.683 1.00 0.00 C ATOM 631 C GLY A 40 21.054 12.089 18.634 1.00 0.00 C ATOM 632 O GLY A 40 21.724 11.679 17.688 1.00 0.00 O ATOM 0 H GLY A 40 18.620 13.259 19.338 1.00 0.00 H new ATOM 0 HA2 GLY A 40 20.276 13.865 17.689 1.00 0.00 H new ATOM 0 HA3 GLY A 40 21.420 14.187 18.976 1.00 0.00 H new ATOM 636 N SER A 41 20.680 11.347 19.666 1.00 0.00 N ATOM 637 CA SER A 41 21.050 9.945 19.753 1.00 0.00 C ATOM 638 C SER A 41 19.826 9.064 19.494 1.00 0.00 C ATOM 639 O SER A 41 18.700 9.456 19.794 1.00 0.00 O ATOM 640 CB SER A 41 21.659 9.620 21.119 1.00 0.00 C ATOM 641 OG SER A 41 22.914 10.266 21.311 1.00 0.00 O ATOM 0 H SER A 41 20.124 11.691 20.449 1.00 0.00 H new ATOM 0 HA SER A 41 21.803 9.742 18.992 1.00 0.00 H new ATOM 0 HB2 SER A 41 20.969 9.926 21.906 1.00 0.00 H new ATOM 0 HB3 SER A 41 21.788 8.542 21.211 1.00 0.00 H new ATOM 0 HG SER A 41 23.269 10.035 22.195 1.00 0.00 H new ATOM 647 N TYR A 42 20.089 7.889 18.940 1.00 0.00 N ATOM 648 CA TYR A 42 19.024 6.949 18.638 1.00 0.00 C ATOM 649 C TYR A 42 19.102 5.720 19.546 1.00 0.00 C ATOM 650 O TYR A 42 20.159 5.419 20.098 1.00 0.00 O ATOM 651 CB TYR A 42 19.246 6.512 17.188 1.00 0.00 C ATOM 652 CG TYR A 42 18.543 7.397 16.157 1.00 0.00 C ATOM 653 CD1 TYR A 42 19.097 8.608 15.794 1.00 0.00 C ATOM 654 CD2 TYR A 42 17.354 6.985 15.590 1.00 0.00 C ATOM 655 CE1 TYR A 42 18.436 9.441 14.823 1.00 0.00 C ATOM 656 CE2 TYR A 42 16.692 7.818 14.619 1.00 0.00 C ATOM 657 CZ TYR A 42 17.266 9.005 14.284 1.00 0.00 C ATOM 658 OH TYR A 42 16.641 9.792 13.367 1.00 0.00 O ATOM 0 H TYR A 42 21.025 7.567 18.693 1.00 0.00 H new ATOM 0 HA TYR A 42 18.049 7.412 18.791 1.00 0.00 H new ATOM 0 HB2 TYR A 42 20.316 6.509 16.980 1.00 0.00 H new ATOM 0 HB3 TYR A 42 18.896 5.487 17.071 1.00 0.00 H new ATOM 0 HD1 TYR A 42 20.027 8.931 16.238 1.00 0.00 H new ATOM 0 HD2 TYR A 42 16.920 6.038 15.874 1.00 0.00 H new ATOM 0 HE1 TYR A 42 18.860 10.390 14.530 1.00 0.00 H new ATOM 0 HE2 TYR A 42 15.761 7.507 14.167 1.00 0.00 H new ATOM 0 HH TYR A 42 15.817 9.354 13.067 1.00 0.00 H new ATOM 668 N SER A 43 17.970 5.044 19.672 1.00 0.00 N ATOM 669 CA SER A 43 17.897 3.855 20.504 1.00 0.00 C ATOM 670 C SER A 43 17.092 2.766 19.791 1.00 0.00 C ATOM 671 O SER A 43 15.939 2.983 19.421 1.00 0.00 O ATOM 672 CB SER A 43 17.273 4.172 21.864 1.00 0.00 C ATOM 673 OG SER A 43 17.742 5.409 22.392 1.00 0.00 O ATOM 0 H SER A 43 17.096 5.297 19.212 1.00 0.00 H new ATOM 0 HA SER A 43 18.911 3.495 20.675 1.00 0.00 H new ATOM 0 HB2 SER A 43 16.188 4.208 21.765 1.00 0.00 H new ATOM 0 HB3 SER A 43 17.503 3.369 22.564 1.00 0.00 H new ATOM 0 HG SER A 43 17.319 5.576 23.260 1.00 0.00 H new ATOM 679 N LEU A 44 17.732 1.619 19.619 1.00 0.00 N ATOM 680 CA LEU A 44 17.090 0.496 18.957 1.00 0.00 C ATOM 681 C LEU A 44 16.526 -0.458 20.012 1.00 0.00 C ATOM 682 O LEU A 44 17.099 -0.606 21.090 1.00 0.00 O ATOM 683 CB LEU A 44 18.057 -0.173 17.978 1.00 0.00 C ATOM 684 CG LEU A 44 17.635 -1.546 17.451 1.00 0.00 C ATOM 685 CD1 LEU A 44 16.513 -1.416 16.419 1.00 0.00 C ATOM 686 CD2 LEU A 44 18.837 -2.314 16.897 1.00 0.00 C ATOM 0 H LEU A 44 18.688 1.443 19.927 1.00 0.00 H new ATOM 0 HA LEU A 44 16.249 0.839 18.355 1.00 0.00 H new ATOM 0 HB2 LEU A 44 18.199 0.493 17.127 1.00 0.00 H new ATOM 0 HB3 LEU A 44 19.025 -0.276 18.468 1.00 0.00 H new ATOM 0 HG LEU A 44 17.240 -2.125 18.285 1.00 0.00 H new ATOM 0 HD11 LEU A 44 16.232 -2.406 16.061 1.00 0.00 H new ATOM 0 HD12 LEU A 44 15.649 -0.938 16.880 1.00 0.00 H new ATOM 0 HD13 LEU A 44 16.858 -0.811 15.581 1.00 0.00 H new ATOM 0 HD21 LEU A 44 18.509 -3.286 16.529 1.00 0.00 H new ATOM 0 HD22 LEU A 44 19.285 -1.749 16.080 1.00 0.00 H new ATOM 0 HD23 LEU A 44 19.574 -2.455 17.687 1.00 0.00 H new ATOM 698 N SER A 45 15.408 -1.079 19.664 1.00 0.00 N ATOM 699 CA SER A 45 14.760 -2.015 20.568 1.00 0.00 C ATOM 700 C SER A 45 14.337 -3.271 19.805 1.00 0.00 C ATOM 701 O SER A 45 13.750 -3.180 18.728 1.00 0.00 O ATOM 702 CB SER A 45 13.549 -1.374 21.249 1.00 0.00 C ATOM 703 OG SER A 45 13.736 0.022 21.467 1.00 0.00 O ATOM 0 H SER A 45 14.935 -0.953 18.769 1.00 0.00 H new ATOM 0 HA SER A 45 15.474 -2.292 21.343 1.00 0.00 H new ATOM 0 HB2 SER A 45 12.663 -1.529 20.634 1.00 0.00 H new ATOM 0 HB3 SER A 45 13.366 -1.869 22.203 1.00 0.00 H new ATOM 0 HG SER A 45 12.941 0.395 21.902 1.00 0.00 H new ATOM 709 N VAL A 46 14.651 -4.416 20.393 1.00 0.00 N ATOM 710 CA VAL A 46 14.310 -5.690 19.783 1.00 0.00 C ATOM 711 C VAL A 46 13.693 -6.608 20.839 1.00 0.00 C ATOM 712 O VAL A 46 13.963 -6.460 22.030 1.00 0.00 O ATOM 713 CB VAL A 46 15.545 -6.295 19.111 1.00 0.00 C ATOM 714 CG1 VAL A 46 15.166 -7.508 18.259 1.00 0.00 C ATOM 715 CG2 VAL A 46 16.284 -5.247 18.277 1.00 0.00 C ATOM 0 H VAL A 46 15.138 -4.488 21.286 1.00 0.00 H new ATOM 0 HA VAL A 46 13.565 -5.551 18.999 1.00 0.00 H new ATOM 0 HB VAL A 46 16.221 -6.635 19.895 1.00 0.00 H new ATOM 0 HG11 VAL A 46 16.061 -7.919 17.793 1.00 0.00 H new ATOM 0 HG12 VAL A 46 14.705 -8.267 18.891 1.00 0.00 H new ATOM 0 HG13 VAL A 46 14.461 -7.203 17.485 1.00 0.00 H new ATOM 0 HG21 VAL A 46 17.157 -5.703 17.810 1.00 0.00 H new ATOM 0 HG22 VAL A 46 15.619 -4.862 17.504 1.00 0.00 H new ATOM 0 HG23 VAL A 46 16.603 -4.428 18.922 1.00 0.00 H new ATOM 725 N ARG A 47 12.876 -7.538 20.365 1.00 0.00 N ATOM 726 CA ARG A 47 12.219 -8.480 21.254 1.00 0.00 C ATOM 727 C ARG A 47 13.074 -9.738 21.420 1.00 0.00 C ATOM 728 O ARG A 47 13.577 -10.285 20.440 1.00 0.00 O ATOM 729 CB ARG A 47 10.842 -8.875 20.717 1.00 0.00 C ATOM 730 CG ARG A 47 9.899 -9.265 21.857 1.00 0.00 C ATOM 731 CD ARG A 47 9.534 -10.749 21.785 1.00 0.00 C ATOM 732 NE ARG A 47 8.119 -10.941 22.173 1.00 0.00 N ATOM 733 CZ ARG A 47 7.081 -10.757 21.345 1.00 0.00 C ATOM 734 NH1 ARG A 47 7.294 -10.375 20.079 1.00 0.00 N ATOM 735 NH2 ARG A 47 5.831 -10.955 21.784 1.00 0.00 N ATOM 0 H ARG A 47 12.655 -7.659 19.377 1.00 0.00 H new ATOM 0 HA ARG A 47 12.093 -7.992 22.220 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.415 -8.044 20.155 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.944 -9.710 20.023 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.373 -9.050 22.815 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.993 -8.661 21.806 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.697 -11.123 20.774 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.182 -11.324 22.446 1.00 0.00 H new ATOM 0 HE ARG A 47 7.921 -11.232 23.130 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.246 -10.224 19.745 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.504 -10.235 19.449 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.669 -11.246 22.748 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.041 -10.815 21.154 1.00 0.00 H new ATOM 749 N ASP A 48 13.212 -10.161 22.668 1.00 0.00 N ATOM 750 CA ASP A 48 13.997 -11.344 22.975 1.00 0.00 C ATOM 751 C ASP A 48 13.307 -12.133 24.090 1.00 0.00 C ATOM 752 O ASP A 48 12.481 -11.590 24.821 1.00 0.00 O ATOM 753 CB ASP A 48 15.397 -10.965 23.462 1.00 0.00 C ATOM 754 CG ASP A 48 16.407 -12.114 23.487 1.00 0.00 C ATOM 755 OD1 ASP A 48 16.187 -13.079 22.724 1.00 0.00 O ATOM 756 OD2 ASP A 48 17.375 -12.002 24.269 1.00 0.00 O ATOM 0 H ASP A 48 12.793 -9.705 23.479 1.00 0.00 H new ATOM 0 HA ASP A 48 14.080 -11.939 22.065 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.786 -10.173 22.822 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.316 -10.551 24.467 1.00 0.00 H new ATOM 761 N TYR A 49 13.672 -13.404 24.184 1.00 0.00 N ATOM 762 CA TYR A 49 13.099 -14.274 25.197 1.00 0.00 C ATOM 763 C TYR A 49 14.189 -15.069 25.917 1.00 0.00 C ATOM 764 O TYR A 49 15.237 -15.357 25.340 1.00 0.00 O ATOM 765 CB TYR A 49 12.184 -15.246 24.449 1.00 0.00 C ATOM 766 CG TYR A 49 11.229 -16.024 25.356 1.00 0.00 C ATOM 767 CD1 TYR A 49 11.645 -17.199 25.949 1.00 0.00 C ATOM 768 CD2 TYR A 49 9.952 -15.552 25.581 1.00 0.00 C ATOM 769 CE1 TYR A 49 10.746 -17.932 26.803 1.00 0.00 C ATOM 770 CE2 TYR A 49 9.053 -16.284 26.435 1.00 0.00 C ATOM 771 CZ TYR A 49 9.494 -17.438 27.003 1.00 0.00 C ATOM 772 OH TYR A 49 8.645 -18.130 27.810 1.00 0.00 O ATOM 0 H TYR A 49 14.357 -13.852 23.575 1.00 0.00 H new ATOM 0 HA TYR A 49 12.565 -13.691 25.947 1.00 0.00 H new ATOM 0 HB2 TYR A 49 11.600 -14.689 23.717 1.00 0.00 H new ATOM 0 HB3 TYR A 49 12.799 -15.954 23.894 1.00 0.00 H new ATOM 0 HD1 TYR A 49 12.644 -17.569 25.773 1.00 0.00 H new ATOM 0 HD2 TYR A 49 9.627 -14.633 25.116 1.00 0.00 H new ATOM 0 HE1 TYR A 49 11.058 -18.852 27.274 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.051 -15.925 26.620 1.00 0.00 H new ATOM 0 HH TYR A 49 7.787 -17.659 27.862 1.00 0.00 H new ATOM 782 N ASP A 50 13.905 -15.403 27.168 1.00 0.00 N ATOM 783 CA ASP A 50 14.849 -16.160 27.973 1.00 0.00 C ATOM 784 C ASP A 50 14.129 -17.350 28.610 1.00 0.00 C ATOM 785 O ASP A 50 12.965 -17.243 28.993 1.00 0.00 O ATOM 786 CB ASP A 50 15.427 -15.299 29.098 1.00 0.00 C ATOM 787 CG ASP A 50 16.824 -14.736 28.829 1.00 0.00 C ATOM 788 OD1 ASP A 50 17.613 -15.459 28.183 1.00 0.00 O ATOM 789 OD2 ASP A 50 17.071 -13.595 29.275 1.00 0.00 O ATOM 0 H ASP A 50 13.035 -15.163 27.643 1.00 0.00 H new ATOM 0 HA ASP A 50 15.657 -16.493 27.322 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.747 -14.468 29.285 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.461 -15.895 30.010 1.00 0.00 H new ATOM 794 N PRO A 51 14.870 -18.486 28.707 1.00 0.00 N ATOM 795 CA PRO A 51 14.315 -19.695 29.291 1.00 0.00 C ATOM 796 C PRO A 51 14.231 -19.579 30.814 1.00 0.00 C ATOM 797 O PRO A 51 13.715 -20.475 31.481 1.00 0.00 O ATOM 798 CB PRO A 51 15.235 -20.813 28.830 1.00 0.00 C ATOM 799 CG PRO A 51 16.526 -20.138 28.395 1.00 0.00 C ATOM 800 CD PRO A 51 16.252 -18.649 28.263 1.00 0.00 C ATOM 0 HA PRO A 51 13.290 -19.884 28.972 1.00 0.00 H new ATOM 0 HB2 PRO A 51 15.418 -21.525 29.635 1.00 0.00 H new ATOM 0 HB3 PRO A 51 14.789 -21.371 28.007 1.00 0.00 H new ATOM 0 HG2 PRO A 51 17.315 -20.318 29.125 1.00 0.00 H new ATOM 0 HG3 PRO A 51 16.870 -20.548 27.446 1.00 0.00 H new ATOM 0 HD2 PRO A 51 16.937 -18.064 28.877 1.00 0.00 H new ATOM 0 HD3 PRO A 51 16.380 -18.312 27.234 1.00 0.00 H new ATOM 808 N ARG A 52 14.747 -18.469 31.321 1.00 0.00 N ATOM 809 CA ARG A 52 14.737 -18.224 32.753 1.00 0.00 C ATOM 810 C ARG A 52 13.575 -17.301 33.126 1.00 0.00 C ATOM 811 O ARG A 52 12.725 -17.664 33.937 1.00 0.00 O ATOM 812 CB ARG A 52 16.051 -17.590 33.212 1.00 0.00 C ATOM 813 CG ARG A 52 17.139 -18.651 33.392 1.00 0.00 C ATOM 814 CD ARG A 52 18.064 -18.698 32.174 1.00 0.00 C ATOM 815 NE ARG A 52 18.424 -20.100 31.866 1.00 0.00 N ATOM 816 CZ ARG A 52 19.368 -20.794 32.517 1.00 0.00 C ATOM 817 NH1 ARG A 52 20.053 -20.220 33.516 1.00 0.00 N ATOM 818 NH2 ARG A 52 19.628 -22.062 32.170 1.00 0.00 N ATOM 0 H ARG A 52 15.175 -17.729 30.765 1.00 0.00 H new ATOM 0 HA ARG A 52 14.616 -19.185 33.253 1.00 0.00 H new ATOM 0 HB2 ARG A 52 16.377 -16.850 32.481 1.00 0.00 H new ATOM 0 HB3 ARG A 52 15.895 -17.061 34.152 1.00 0.00 H new ATOM 0 HG2 ARG A 52 17.721 -18.432 34.287 1.00 0.00 H new ATOM 0 HG3 ARG A 52 16.679 -19.628 33.542 1.00 0.00 H new ATOM 0 HD2 ARG A 52 17.571 -18.243 31.315 1.00 0.00 H new ATOM 0 HD3 ARG A 52 18.965 -18.117 32.369 1.00 0.00 H new ATOM 0 HE ARG A 52 17.922 -20.568 31.111 1.00 0.00 H new ATOM 0 HH11 ARG A 52 19.856 -19.255 33.781 1.00 0.00 H new ATOM 0 HH12 ARG A 52 20.771 -20.748 34.011 1.00 0.00 H new ATOM 0 HH21 ARG A 52 19.107 -22.500 31.410 1.00 0.00 H new ATOM 0 HH22 ARG A 52 20.347 -22.589 32.666 1.00 0.00 H new ATOM 832 N GLN A 53 13.577 -16.125 32.516 1.00 0.00 N ATOM 833 CA GLN A 53 12.533 -15.147 32.774 1.00 0.00 C ATOM 834 C GLN A 53 11.342 -15.384 31.843 1.00 0.00 C ATOM 835 O GLN A 53 10.212 -15.541 32.303 1.00 0.00 O ATOM 836 CB GLN A 53 13.069 -13.721 32.626 1.00 0.00 C ATOM 837 CG GLN A 53 14.039 -13.380 33.759 1.00 0.00 C ATOM 838 CD GLN A 53 13.686 -12.035 34.396 1.00 0.00 C ATOM 839 OE1 GLN A 53 13.795 -10.983 33.788 1.00 0.00 O ATOM 840 NE2 GLN A 53 13.259 -12.127 35.652 1.00 0.00 N ATOM 0 H GLN A 53 14.284 -15.827 31.844 1.00 0.00 H new ATOM 0 HA GLN A 53 12.195 -15.268 33.803 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.574 -13.616 31.666 1.00 0.00 H new ATOM 0 HB3 GLN A 53 12.239 -13.015 32.628 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.010 -14.164 34.516 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.058 -13.347 33.373 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.191 -13.040 36.102 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.999 -11.285 36.165 1.00 0.00 H new ATOM 849 N GLY A 54 11.636 -15.402 30.551 1.00 0.00 N ATOM 850 CA GLY A 54 10.603 -15.617 29.552 1.00 0.00 C ATOM 851 C GLY A 54 10.643 -14.528 28.478 1.00 0.00 C ATOM 852 O GLY A 54 11.638 -14.388 27.768 1.00 0.00 O ATOM 0 H GLY A 54 12.574 -15.271 30.173 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.738 -16.594 29.089 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.624 -15.624 30.032 1.00 0.00 H new ATOM 856 N ASP A 55 9.550 -13.784 28.393 1.00 0.00 N ATOM 857 CA ASP A 55 9.448 -12.712 27.418 1.00 0.00 C ATOM 858 C ASP A 55 10.244 -11.502 27.911 1.00 0.00 C ATOM 859 O ASP A 55 10.102 -11.089 29.061 1.00 0.00 O ATOM 860 CB ASP A 55 7.994 -12.276 27.228 1.00 0.00 C ATOM 861 CG ASP A 55 7.008 -13.415 26.959 1.00 0.00 C ATOM 862 OD1 ASP A 55 7.028 -13.926 25.818 1.00 0.00 O ATOM 863 OD2 ASP A 55 6.255 -13.748 27.899 1.00 0.00 O ATOM 0 H ASP A 55 8.727 -13.903 28.984 1.00 0.00 H new ATOM 0 HA ASP A 55 9.840 -13.080 26.470 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.672 -11.739 28.120 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.947 -11.571 26.398 1.00 0.00 H new ATOM 868 N THR A 56 11.063 -10.968 27.017 1.00 0.00 N ATOM 869 CA THR A 56 11.881 -9.813 27.348 1.00 0.00 C ATOM 870 C THR A 56 12.063 -8.920 26.119 1.00 0.00 C ATOM 871 O THR A 56 11.730 -9.316 25.004 1.00 0.00 O ATOM 872 CB THR A 56 13.201 -10.321 27.932 1.00 0.00 C ATOM 873 OG1 THR A 56 13.900 -10.843 26.806 1.00 0.00 O ATOM 874 CG2 THR A 56 13.009 -11.532 28.847 1.00 0.00 C ATOM 0 H THR A 56 11.178 -11.313 26.064 1.00 0.00 H new ATOM 0 HA THR A 56 11.398 -9.186 28.097 1.00 0.00 H new ATOM 0 HB THR A 56 13.684 -9.519 28.490 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.259 -11.082 26.105 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.976 -11.852 29.234 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.357 -11.261 29.677 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.557 -12.347 28.282 1.00 0.00 H new ATOM 882 N VAL A 57 12.593 -7.730 26.366 1.00 0.00 N ATOM 883 CA VAL A 57 12.824 -6.778 25.294 1.00 0.00 C ATOM 884 C VAL A 57 14.175 -6.093 25.508 1.00 0.00 C ATOM 885 O VAL A 57 14.427 -5.527 26.570 1.00 0.00 O ATOM 886 CB VAL A 57 11.659 -5.789 25.212 1.00 0.00 C ATOM 887 CG1 VAL A 57 11.641 -5.072 23.860 1.00 0.00 C ATOM 888 CG2 VAL A 57 10.325 -6.489 25.479 1.00 0.00 C ATOM 0 H VAL A 57 12.869 -7.405 27.293 1.00 0.00 H new ATOM 0 HA VAL A 57 12.867 -7.289 24.332 1.00 0.00 H new ATOM 0 HB VAL A 57 11.804 -5.037 25.988 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.803 -4.375 23.829 1.00 0.00 H new ATOM 0 HG12 VAL A 57 12.574 -4.524 23.726 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.533 -5.805 23.061 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.514 -5.763 25.415 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.170 -7.273 24.737 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.339 -6.930 26.476 1.00 0.00 H new ATOM 898 N LYS A 58 15.010 -6.168 24.481 1.00 0.00 N ATOM 899 CA LYS A 58 16.329 -5.563 24.544 1.00 0.00 C ATOM 900 C LYS A 58 16.250 -4.123 24.031 1.00 0.00 C ATOM 901 O LYS A 58 15.264 -3.736 23.407 1.00 0.00 O ATOM 902 CB LYS A 58 17.350 -6.425 23.800 1.00 0.00 C ATOM 903 CG LYS A 58 17.727 -7.660 24.621 1.00 0.00 C ATOM 904 CD LYS A 58 18.831 -7.334 25.628 1.00 0.00 C ATOM 905 CE LYS A 58 20.210 -7.391 24.968 1.00 0.00 C ATOM 906 NZ LYS A 58 20.628 -8.796 24.763 1.00 0.00 N ATOM 0 H LYS A 58 14.798 -6.639 23.601 1.00 0.00 H new ATOM 0 HA LYS A 58 16.677 -5.516 25.576 1.00 0.00 H new ATOM 0 HB2 LYS A 58 16.939 -6.734 22.839 1.00 0.00 H new ATOM 0 HB3 LYS A 58 18.243 -5.837 23.590 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.848 -8.033 25.148 1.00 0.00 H new ATOM 0 HG3 LYS A 58 18.061 -8.456 23.955 1.00 0.00 H new ATOM 0 HD2 LYS A 58 18.665 -6.341 26.046 1.00 0.00 H new ATOM 0 HD3 LYS A 58 18.792 -8.040 26.457 1.00 0.00 H new ATOM 0 HE2 LYS A 58 20.184 -6.870 24.011 1.00 0.00 H new ATOM 0 HE3 LYS A 58 20.940 -6.875 25.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 21.647 -8.829 24.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 20.431 -9.346 25.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 20.100 -9.202 23.964 1.00 0.00 H new ATOM 920 N HIS A 59 17.302 -3.369 24.315 1.00 0.00 N ATOM 921 CA HIS A 59 17.364 -1.981 23.890 1.00 0.00 C ATOM 922 C HIS A 59 18.822 -1.582 23.651 1.00 0.00 C ATOM 923 O HIS A 59 19.586 -1.410 24.599 1.00 0.00 O ATOM 924 CB HIS A 59 16.659 -1.072 24.898 1.00 0.00 C ATOM 925 CG HIS A 59 15.174 -1.319 25.013 1.00 0.00 C ATOM 926 ND1 HIS A 59 14.234 -0.576 24.320 1.00 0.00 N ATOM 927 CD2 HIS A 59 14.476 -2.234 25.747 1.00 0.00 C ATOM 928 CE1 HIS A 59 13.029 -1.031 24.630 1.00 0.00 C ATOM 929 NE2 HIS A 59 13.181 -2.058 25.515 1.00 0.00 N ATOM 0 H HIS A 59 18.118 -3.693 24.834 1.00 0.00 H new ATOM 0 HA HIS A 59 16.831 -1.862 22.947 1.00 0.00 H new ATOM 0 HB2 HIS A 59 17.117 -1.209 25.878 1.00 0.00 H new ATOM 0 HB3 HIS A 59 16.823 -0.033 24.612 1.00 0.00 H new ATOM 0 HD1 HIS A 59 14.435 0.192 23.679 1.00 0.00 H new ATOM 0 HD2 HIS A 59 14.905 -2.975 26.405 1.00 0.00 H new ATOM 0 HE1 HIS A 59 12.091 -0.655 24.249 1.00 0.00 H new ATOM 937 N TYR A 60 19.164 -1.447 22.378 1.00 0.00 N ATOM 938 CA TYR A 60 20.516 -1.072 22.002 1.00 0.00 C ATOM 939 C TYR A 60 20.615 0.432 21.739 1.00 0.00 C ATOM 940 O TYR A 60 19.617 1.077 21.417 1.00 0.00 O ATOM 941 CB TYR A 60 20.818 -1.825 20.705 1.00 0.00 C ATOM 942 CG TYR A 60 20.908 -3.343 20.874 1.00 0.00 C ATOM 943 CD1 TYR A 60 21.872 -3.890 21.696 1.00 0.00 C ATOM 944 CD2 TYR A 60 20.025 -4.166 20.203 1.00 0.00 C ATOM 945 CE1 TYR A 60 21.957 -5.319 21.855 1.00 0.00 C ATOM 946 CE2 TYR A 60 20.110 -5.594 20.362 1.00 0.00 C ATOM 947 CZ TYR A 60 21.072 -6.100 21.180 1.00 0.00 C ATOM 948 OH TYR A 60 21.152 -7.450 21.330 1.00 0.00 O ATOM 0 H TYR A 60 18.528 -1.591 21.594 1.00 0.00 H new ATOM 0 HA TYR A 60 21.217 -1.316 22.800 1.00 0.00 H new ATOM 0 HB2 TYR A 60 20.042 -1.596 19.975 1.00 0.00 H new ATOM 0 HB3 TYR A 60 21.759 -1.459 20.295 1.00 0.00 H new ATOM 0 HD1 TYR A 60 22.563 -3.246 22.220 1.00 0.00 H new ATOM 0 HD2 TYR A 60 19.271 -3.738 19.559 1.00 0.00 H new ATOM 0 HE1 TYR A 60 22.706 -5.760 22.496 1.00 0.00 H new ATOM 0 HE2 TYR A 60 19.425 -6.249 19.844 1.00 0.00 H new ATOM 0 HH TYR A 60 21.498 -7.660 22.222 1.00 0.00 H new ATOM 958 N LYS A 61 21.826 0.948 21.885 1.00 0.00 N ATOM 959 CA LYS A 61 22.068 2.364 21.667 1.00 0.00 C ATOM 960 C LYS A 61 22.689 2.564 20.283 1.00 0.00 C ATOM 961 O LYS A 61 23.401 1.693 19.787 1.00 0.00 O ATOM 962 CB LYS A 61 22.906 2.946 22.807 1.00 0.00 C ATOM 963 CG LYS A 61 22.025 3.320 24.001 1.00 0.00 C ATOM 964 CD LYS A 61 21.628 4.796 23.948 1.00 0.00 C ATOM 965 CE LYS A 61 21.625 5.414 25.348 1.00 0.00 C ATOM 966 NZ LYS A 61 20.395 6.208 25.561 1.00 0.00 N ATOM 0 H LYS A 61 22.651 0.411 22.152 1.00 0.00 H new ATOM 0 HA LYS A 61 21.129 2.917 21.678 1.00 0.00 H new ATOM 0 HB2 LYS A 61 23.657 2.220 23.118 1.00 0.00 H new ATOM 0 HB3 LYS A 61 23.442 3.828 22.456 1.00 0.00 H new ATOM 0 HG2 LYS A 61 21.129 2.699 24.005 1.00 0.00 H new ATOM 0 HG3 LYS A 61 22.559 3.116 24.929 1.00 0.00 H new ATOM 0 HD2 LYS A 61 22.322 5.340 23.308 1.00 0.00 H new ATOM 0 HD3 LYS A 61 20.639 4.894 23.501 1.00 0.00 H new ATOM 0 HE2 LYS A 61 21.692 4.627 26.099 1.00 0.00 H new ATOM 0 HE3 LYS A 61 22.502 6.050 25.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 20.409 6.620 26.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 20.347 6.970 24.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 19.563 5.592 25.462 1.00 0.00 H new ATOM 980 N ILE A 62 22.395 3.717 19.699 1.00 0.00 N ATOM 981 CA ILE A 62 22.916 4.043 18.382 1.00 0.00 C ATOM 982 C ILE A 62 23.625 5.397 18.439 1.00 0.00 C ATOM 983 O ILE A 62 22.975 6.441 18.463 1.00 0.00 O ATOM 984 CB ILE A 62 21.803 3.975 17.335 1.00 0.00 C ATOM 985 CG1 ILE A 62 21.327 2.535 17.133 1.00 0.00 C ATOM 986 CG2 ILE A 62 22.246 4.621 16.021 1.00 0.00 C ATOM 987 CD1 ILE A 62 19.853 2.497 16.724 1.00 0.00 C ATOM 0 H ILE A 62 21.803 4.437 20.114 1.00 0.00 H new ATOM 0 HA ILE A 62 23.659 3.307 18.073 1.00 0.00 H new ATOM 0 HB ILE A 62 20.952 4.547 17.704 1.00 0.00 H new ATOM 0 HG12 ILE A 62 21.933 2.052 16.367 1.00 0.00 H new ATOM 0 HG13 ILE A 62 21.467 1.969 18.054 1.00 0.00 H new ATOM 0 HG21 ILE A 62 21.436 4.559 15.294 1.00 0.00 H new ATOM 0 HG22 ILE A 62 22.497 5.667 16.196 1.00 0.00 H new ATOM 0 HG23 ILE A 62 23.121 4.098 15.635 1.00 0.00 H new ATOM 0 HD11 ILE A 62 19.540 1.462 16.587 1.00 0.00 H new ATOM 0 HD12 ILE A 62 19.247 2.959 17.503 1.00 0.00 H new ATOM 0 HD13 ILE A 62 19.720 3.043 15.790 1.00 0.00 H new ATOM 999 N ARG A 63 24.948 5.336 18.460 1.00 0.00 N ATOM 1000 CA ARG A 63 25.753 6.545 18.514 1.00 0.00 C ATOM 1001 C ARG A 63 26.126 6.997 17.101 1.00 0.00 C ATOM 1002 O ARG A 63 26.136 6.193 16.170 1.00 0.00 O ATOM 1003 CB ARG A 63 27.031 6.320 19.324 1.00 0.00 C ATOM 1004 CG ARG A 63 26.775 6.522 20.819 1.00 0.00 C ATOM 1005 CD ARG A 63 27.268 7.895 21.279 1.00 0.00 C ATOM 1006 NE ARG A 63 27.660 7.841 22.705 1.00 0.00 N ATOM 1007 CZ ARG A 63 28.451 8.742 23.302 1.00 0.00 C ATOM 1008 NH1 ARG A 63 28.941 9.773 22.599 1.00 0.00 N ATOM 1009 NH2 ARG A 63 28.754 8.613 24.601 1.00 0.00 N ATOM 0 H ARG A 63 25.483 4.468 18.441 1.00 0.00 H new ATOM 0 HA ARG A 63 25.159 7.318 19.002 1.00 0.00 H new ATOM 0 HB2 ARG A 63 27.404 5.311 19.148 1.00 0.00 H new ATOM 0 HB3 ARG A 63 27.805 7.009 18.988 1.00 0.00 H new ATOM 0 HG2 ARG A 63 25.709 6.427 21.025 1.00 0.00 H new ATOM 0 HG3 ARG A 63 27.281 5.741 21.387 1.00 0.00 H new ATOM 0 HD2 ARG A 63 28.117 8.208 20.672 1.00 0.00 H new ATOM 0 HD3 ARG A 63 26.484 8.638 21.137 1.00 0.00 H new ATOM 0 HE ARG A 63 27.305 7.069 23.269 1.00 0.00 H new ATOM 0 HH11 ARG A 63 28.711 9.871 21.610 1.00 0.00 H new ATOM 0 HH12 ARG A 63 29.543 10.459 23.053 1.00 0.00 H new ATOM 0 HH21 ARG A 63 28.382 7.828 25.136 1.00 0.00 H new ATOM 0 HH22 ARG A 63 29.356 9.300 25.055 1.00 0.00 H new ATOM 1023 N THR A 64 26.423 8.283 16.985 1.00 0.00 N ATOM 1024 CA THR A 64 26.795 8.853 15.701 1.00 0.00 C ATOM 1025 C THR A 64 28.274 9.243 15.700 1.00 0.00 C ATOM 1026 O THR A 64 28.888 9.369 16.759 1.00 0.00 O ATOM 1027 CB THR A 64 25.857 10.026 15.414 1.00 0.00 C ATOM 1028 OG1 THR A 64 26.017 10.883 16.542 1.00 0.00 O ATOM 1029 CG2 THR A 64 24.382 9.622 15.460 1.00 0.00 C ATOM 0 H THR A 64 26.414 8.947 17.759 1.00 0.00 H new ATOM 0 HA THR A 64 26.682 8.125 14.898 1.00 0.00 H new ATOM 0 HB THR A 64 26.088 10.444 14.434 1.00 0.00 H new ATOM 0 HG1 THR A 64 25.445 11.672 16.437 1.00 0.00 H new ATOM 0 HG21 THR A 64 23.760 10.492 15.249 1.00 0.00 H new ATOM 0 HG22 THR A 64 24.193 8.851 14.713 1.00 0.00 H new ATOM 0 HG23 THR A 64 24.141 9.235 16.450 1.00 0.00 H new ATOM 1037 N LEU A 65 28.805 9.425 14.499 1.00 0.00 N ATOM 1038 CA LEU A 65 30.200 9.799 14.346 1.00 0.00 C ATOM 1039 C LEU A 65 30.336 11.316 14.490 1.00 0.00 C ATOM 1040 O LEU A 65 29.347 12.013 14.707 1.00 0.00 O ATOM 1041 CB LEU A 65 30.760 9.253 13.031 1.00 0.00 C ATOM 1042 CG LEU A 65 31.197 7.787 13.045 1.00 0.00 C ATOM 1043 CD1 LEU A 65 31.329 7.240 11.622 1.00 0.00 C ATOM 1044 CD2 LEU A 65 32.486 7.606 13.850 1.00 0.00 C ATOM 0 H LEU A 65 28.293 9.320 13.623 1.00 0.00 H new ATOM 0 HA LEU A 65 30.804 9.349 15.134 1.00 0.00 H new ATOM 0 HB2 LEU A 65 30.003 9.378 12.257 1.00 0.00 H new ATOM 0 HB3 LEU A 65 31.615 9.864 12.742 1.00 0.00 H new ATOM 0 HG LEU A 65 30.422 7.205 13.543 1.00 0.00 H new ATOM 0 HD11 LEU A 65 31.641 6.196 11.661 1.00 0.00 H new ATOM 0 HD12 LEU A 65 30.368 7.313 11.114 1.00 0.00 H new ATOM 0 HD13 LEU A 65 32.073 7.821 11.077 1.00 0.00 H new ATOM 0 HD21 LEU A 65 32.774 6.555 13.844 1.00 0.00 H new ATOM 0 HD22 LEU A 65 33.281 8.203 13.403 1.00 0.00 H new ATOM 0 HD23 LEU A 65 32.322 7.931 14.877 1.00 0.00 H new ATOM 1056 N ASP A 66 31.570 11.782 14.363 1.00 0.00 N ATOM 1057 CA ASP A 66 31.848 13.204 14.476 1.00 0.00 C ATOM 1058 C ASP A 66 31.892 13.823 13.078 1.00 0.00 C ATOM 1059 O ASP A 66 32.640 14.769 12.837 1.00 0.00 O ATOM 1060 CB ASP A 66 33.202 13.449 15.144 1.00 0.00 C ATOM 1061 CG ASP A 66 33.220 13.251 16.661 1.00 0.00 C ATOM 1062 OD1 ASP A 66 32.409 13.926 17.331 1.00 0.00 O ATOM 1063 OD2 ASP A 66 34.045 12.429 17.117 1.00 0.00 O ATOM 0 H ASP A 66 32.388 11.200 14.183 1.00 0.00 H new ATOM 0 HA ASP A 66 31.061 13.654 15.081 1.00 0.00 H new ATOM 0 HB2 ASP A 66 33.937 12.780 14.697 1.00 0.00 H new ATOM 0 HB3 ASP A 66 33.521 14.467 14.922 1.00 0.00 H new ATOM 1068 N ASN A 67 31.080 13.265 12.193 1.00 0.00 N ATOM 1069 CA ASN A 67 31.016 13.750 10.825 1.00 0.00 C ATOM 1070 C ASN A 67 29.696 13.307 10.191 1.00 0.00 C ATOM 1071 O ASN A 67 29.024 14.097 9.530 1.00 0.00 O ATOM 1072 CB ASN A 67 32.159 13.179 9.984 1.00 0.00 C ATOM 1073 CG ASN A 67 32.246 13.881 8.627 1.00 0.00 C ATOM 1074 OD1 ASN A 67 31.778 14.993 8.443 1.00 0.00 O ATOM 1075 ND2 ASN A 67 32.868 13.172 7.690 1.00 0.00 N ATOM 0 H ASN A 67 30.460 12.481 12.397 1.00 0.00 H new ATOM 0 HA ASN A 67 31.094 14.837 10.850 1.00 0.00 H new ATOM 0 HB2 ASN A 67 33.102 13.295 10.519 1.00 0.00 H new ATOM 0 HB3 ASN A 67 32.007 12.110 9.835 1.00 0.00 H new ATOM 0 HD21 ASN A 67 32.977 13.553 6.750 1.00 0.00 H new ATOM 0 HD22 ASN A 67 33.237 12.247 7.911 1.00 0.00 H new ATOM 1082 N GLY A 68 29.364 12.044 10.415 1.00 0.00 N ATOM 1083 CA GLY A 68 28.136 11.486 9.875 1.00 0.00 C ATOM 1084 C GLY A 68 28.197 9.957 9.840 1.00 0.00 C ATOM 1085 O GLY A 68 29.183 9.382 9.383 1.00 0.00 O ATOM 0 H GLY A 68 29.924 11.391 10.963 1.00 0.00 H new ATOM 0 HA2 GLY A 68 27.289 11.806 10.482 1.00 0.00 H new ATOM 0 HA3 GLY A 68 27.970 11.870 8.869 1.00 0.00 H new ATOM 1089 N GLY A 69 27.130 9.343 10.330 1.00 0.00 N ATOM 1090 CA GLY A 69 27.050 7.893 10.361 1.00 0.00 C ATOM 1091 C GLY A 69 26.697 7.393 11.763 1.00 0.00 C ATOM 1092 O GLY A 69 27.029 8.037 12.757 1.00 0.00 O ATOM 0 H GLY A 69 26.314 9.823 10.709 1.00 0.00 H new ATOM 0 HA2 GLY A 69 26.298 7.551 9.649 1.00 0.00 H new ATOM 0 HA3 GLY A 69 28.003 7.466 10.048 1.00 0.00 H new ATOM 1096 N PHE A 70 26.030 6.249 11.799 1.00 0.00 N ATOM 1097 CA PHE A 70 25.629 5.655 13.063 1.00 0.00 C ATOM 1098 C PHE A 70 26.222 4.254 13.223 1.00 0.00 C ATOM 1099 O PHE A 70 26.270 3.483 12.266 1.00 0.00 O ATOM 1100 CB PHE A 70 24.102 5.551 13.044 1.00 0.00 C ATOM 1101 CG PHE A 70 23.393 6.864 12.708 1.00 0.00 C ATOM 1102 CD1 PHE A 70 23.494 7.392 11.459 1.00 0.00 C ATOM 1103 CD2 PHE A 70 22.661 7.504 13.659 1.00 0.00 C ATOM 1104 CE1 PHE A 70 22.836 8.611 11.147 1.00 0.00 C ATOM 1105 CE2 PHE A 70 22.002 8.723 13.348 1.00 0.00 C ATOM 1106 CZ PHE A 70 22.104 9.250 12.098 1.00 0.00 C ATOM 0 H PHE A 70 25.757 5.717 10.973 1.00 0.00 H new ATOM 0 HA PHE A 70 25.985 6.268 13.891 1.00 0.00 H new ATOM 0 HB2 PHE A 70 23.809 4.795 12.316 1.00 0.00 H new ATOM 0 HB3 PHE A 70 23.760 5.204 14.019 1.00 0.00 H new ATOM 0 HD1 PHE A 70 24.075 6.884 10.704 1.00 0.00 H new ATOM 0 HD2 PHE A 70 22.581 7.085 14.651 1.00 0.00 H new ATOM 0 HE1 PHE A 70 22.917 9.030 10.155 1.00 0.00 H new ATOM 0 HE2 PHE A 70 21.421 9.231 14.103 1.00 0.00 H new ATOM 0 HZ PHE A 70 21.603 10.177 11.861 1.00 0.00 H new ATOM 1116 N TYR A 71 26.659 3.967 14.440 1.00 0.00 N ATOM 1117 CA TYR A 71 27.247 2.672 14.738 1.00 0.00 C ATOM 1118 C TYR A 71 26.901 2.227 16.161 1.00 0.00 C ATOM 1119 O TYR A 71 26.825 3.051 17.071 1.00 0.00 O ATOM 1120 CB TYR A 71 28.761 2.862 14.630 1.00 0.00 C ATOM 1121 CG TYR A 71 29.341 3.837 15.656 1.00 0.00 C ATOM 1122 CD1 TYR A 71 29.249 5.198 15.444 1.00 0.00 C ATOM 1123 CD2 TYR A 71 29.957 3.357 16.794 1.00 0.00 C ATOM 1124 CE1 TYR A 71 29.795 6.116 16.410 1.00 0.00 C ATOM 1125 CE2 TYR A 71 30.502 4.275 17.760 1.00 0.00 C ATOM 1126 CZ TYR A 71 30.395 5.609 17.520 1.00 0.00 C ATOM 1127 OH TYR A 71 30.910 6.476 18.432 1.00 0.00 O ATOM 0 H TYR A 71 26.618 4.609 15.232 1.00 0.00 H new ATOM 0 HA TYR A 71 26.871 1.913 14.053 1.00 0.00 H new ATOM 0 HB2 TYR A 71 29.248 1.894 14.749 1.00 0.00 H new ATOM 0 HB3 TYR A 71 29.001 3.219 13.629 1.00 0.00 H new ATOM 0 HD1 TYR A 71 28.767 5.574 14.554 1.00 0.00 H new ATOM 0 HD2 TYR A 71 30.030 2.292 16.960 1.00 0.00 H new ATOM 0 HE1 TYR A 71 29.729 7.183 16.256 1.00 0.00 H new ATOM 0 HE2 TYR A 71 30.985 3.912 18.655 1.00 0.00 H new ATOM 0 HH TYR A 71 31.307 5.973 19.174 1.00 0.00 H new ATOM 1137 N ILE A 72 26.702 0.926 16.307 1.00 0.00 N ATOM 1138 CA ILE A 72 26.366 0.361 17.604 1.00 0.00 C ATOM 1139 C ILE A 72 27.630 -0.211 18.249 1.00 0.00 C ATOM 1140 O ILE A 72 27.872 -0.006 19.437 1.00 0.00 O ATOM 1141 CB ILE A 72 25.230 -0.655 17.467 1.00 0.00 C ATOM 1142 CG1 ILE A 72 23.958 0.011 16.940 1.00 0.00 C ATOM 1143 CG2 ILE A 72 24.989 -1.387 18.789 1.00 0.00 C ATOM 1144 CD1 ILE A 72 22.840 -1.015 16.749 1.00 0.00 C ATOM 0 H ILE A 72 26.767 0.246 15.549 1.00 0.00 H new ATOM 0 HA ILE A 72 25.990 1.136 18.272 1.00 0.00 H new ATOM 0 HB ILE A 72 25.528 -1.404 16.733 1.00 0.00 H new ATOM 0 HG12 ILE A 72 23.632 0.783 17.637 1.00 0.00 H new ATOM 0 HG13 ILE A 72 24.168 0.505 15.992 1.00 0.00 H new ATOM 0 HG21 ILE A 72 24.177 -2.103 18.665 1.00 0.00 H new ATOM 0 HG22 ILE A 72 25.896 -1.914 19.084 1.00 0.00 H new ATOM 0 HG23 ILE A 72 24.722 -0.665 19.561 1.00 0.00 H new ATOM 0 HD11 ILE A 72 21.947 -0.515 16.374 1.00 0.00 H new ATOM 0 HD12 ILE A 72 23.160 -1.772 16.033 1.00 0.00 H new ATOM 0 HD13 ILE A 72 22.615 -1.490 17.704 1.00 0.00 H new ATOM 1156 N SER A 73 28.402 -0.918 17.437 1.00 0.00 N ATOM 1157 CA SER A 73 29.634 -1.522 17.913 1.00 0.00 C ATOM 1158 C SER A 73 30.825 -0.972 17.126 1.00 0.00 C ATOM 1159 O SER A 73 30.704 -0.671 15.940 1.00 0.00 O ATOM 1160 CB SER A 73 29.581 -3.047 17.799 1.00 0.00 C ATOM 1161 OG SER A 73 30.718 -3.667 18.395 1.00 0.00 O ATOM 0 H SER A 73 28.198 -1.086 16.452 1.00 0.00 H new ATOM 0 HA SER A 73 29.754 -1.268 18.966 1.00 0.00 H new ATOM 0 HB2 SER A 73 28.674 -3.415 18.279 1.00 0.00 H new ATOM 0 HB3 SER A 73 29.523 -3.330 16.748 1.00 0.00 H new ATOM 0 HG SER A 73 30.646 -4.640 18.303 1.00 0.00 H new ATOM 1167 N PRO A 74 31.979 -0.854 17.836 1.00 0.00 N ATOM 1168 CA PRO A 74 33.191 -0.345 17.216 1.00 0.00 C ATOM 1169 C PRO A 74 33.821 -1.396 16.301 1.00 0.00 C ATOM 1170 O PRO A 74 34.987 -1.751 16.467 1.00 0.00 O ATOM 1171 CB PRO A 74 34.091 0.048 18.376 1.00 0.00 C ATOM 1172 CG PRO A 74 33.544 -0.680 19.594 1.00 0.00 C ATOM 1173 CD PRO A 74 32.160 -1.201 19.243 1.00 0.00 C ATOM 0 HA PRO A 74 33.004 0.510 16.567 1.00 0.00 H new ATOM 0 HB2 PRO A 74 35.125 -0.238 18.182 1.00 0.00 H new ATOM 0 HB3 PRO A 74 34.082 1.127 18.529 1.00 0.00 H new ATOM 0 HG2 PRO A 74 34.202 -1.503 19.874 1.00 0.00 H new ATOM 0 HG3 PRO A 74 33.493 -0.007 20.450 1.00 0.00 H new ATOM 0 HD2 PRO A 74 32.091 -2.278 19.397 1.00 0.00 H new ATOM 0 HD3 PRO A 74 31.394 -0.740 19.866 1.00 0.00 H new ATOM 1181 N ARG A 75 33.022 -1.865 15.354 1.00 0.00 N ATOM 1182 CA ARG A 75 33.487 -2.869 14.411 1.00 0.00 C ATOM 1183 C ARG A 75 32.985 -2.547 13.002 1.00 0.00 C ATOM 1184 O ARG A 75 33.782 -2.318 12.093 1.00 0.00 O ATOM 1185 CB ARG A 75 33.005 -4.265 14.810 1.00 0.00 C ATOM 1186 CG ARG A 75 33.483 -4.629 16.217 1.00 0.00 C ATOM 1187 CD ARG A 75 34.841 -5.333 16.169 1.00 0.00 C ATOM 1188 NE ARG A 75 34.691 -6.750 16.570 1.00 0.00 N ATOM 1189 CZ ARG A 75 35.678 -7.655 16.514 1.00 0.00 C ATOM 1190 NH1 ARG A 75 36.892 -7.296 16.074 1.00 0.00 N ATOM 1191 NH2 ARG A 75 35.451 -8.918 16.899 1.00 0.00 N ATOM 0 H ARG A 75 32.055 -1.569 15.219 1.00 0.00 H new ATOM 0 HA ARG A 75 34.577 -2.856 14.424 1.00 0.00 H new ATOM 0 HB2 ARG A 75 31.916 -4.303 14.771 1.00 0.00 H new ATOM 0 HB3 ARG A 75 33.375 -5.000 14.095 1.00 0.00 H new ATOM 0 HG2 ARG A 75 33.558 -3.727 16.824 1.00 0.00 H new ATOM 0 HG3 ARG A 75 32.750 -5.277 16.698 1.00 0.00 H new ATOM 0 HD2 ARG A 75 35.256 -5.273 15.163 1.00 0.00 H new ATOM 0 HD3 ARG A 75 35.544 -4.831 16.834 1.00 0.00 H new ATOM 0 HE ARG A 75 33.780 -7.057 16.910 1.00 0.00 H new ATOM 0 HH11 ARG A 75 37.065 -6.334 15.782 1.00 0.00 H new ATOM 0 HH12 ARG A 75 37.643 -7.985 16.031 1.00 0.00 H new ATOM 0 HH21 ARG A 75 34.527 -9.191 17.235 1.00 0.00 H new ATOM 0 HH22 ARG A 75 36.202 -9.607 16.856 1.00 0.00 H new ATOM 1205 N SER A 76 31.668 -2.539 12.865 1.00 0.00 N ATOM 1206 CA SER A 76 31.050 -2.249 11.582 1.00 0.00 C ATOM 1207 C SER A 76 30.074 -1.079 11.724 1.00 0.00 C ATOM 1208 O SER A 76 29.001 -1.228 12.307 1.00 0.00 O ATOM 1209 CB SER A 76 30.328 -3.478 11.028 1.00 0.00 C ATOM 1210 OG SER A 76 31.159 -4.636 11.042 1.00 0.00 O ATOM 0 H SER A 76 31.011 -2.729 13.622 1.00 0.00 H new ATOM 0 HA SER A 76 31.836 -1.975 10.878 1.00 0.00 H new ATOM 0 HB2 SER A 76 29.431 -3.668 11.617 1.00 0.00 H new ATOM 0 HB3 SER A 76 30.002 -3.278 10.007 1.00 0.00 H new ATOM 0 HG SER A 76 30.662 -5.400 10.682 1.00 0.00 H new ATOM 1216 N THR A 77 30.481 0.059 11.181 1.00 0.00 N ATOM 1217 CA THR A 77 29.656 1.253 11.239 1.00 0.00 C ATOM 1218 C THR A 77 28.863 1.418 9.941 1.00 0.00 C ATOM 1219 O THR A 77 29.116 0.718 8.962 1.00 0.00 O ATOM 1220 CB THR A 77 30.567 2.443 11.550 1.00 0.00 C ATOM 1221 OG1 THR A 77 31.326 2.619 10.357 1.00 0.00 O ATOM 1222 CG2 THR A 77 31.616 2.114 12.614 1.00 0.00 C ATOM 0 H THR A 77 31.372 0.179 10.699 1.00 0.00 H new ATOM 0 HA THR A 77 28.911 1.180 12.031 1.00 0.00 H new ATOM 0 HB THR A 77 29.963 3.286 11.885 1.00 0.00 H new ATOM 0 HG1 THR A 77 31.943 3.372 10.470 1.00 0.00 H new ATOM 0 HG21 THR A 77 32.236 2.992 12.797 1.00 0.00 H new ATOM 0 HG22 THR A 77 31.118 1.822 13.538 1.00 0.00 H new ATOM 0 HG23 THR A 77 32.243 1.293 12.265 1.00 0.00 H new ATOM 1230 N PHE A 78 27.919 2.347 9.976 1.00 0.00 N ATOM 1231 CA PHE A 78 27.088 2.613 8.814 1.00 0.00 C ATOM 1232 C PHE A 78 26.806 4.110 8.672 1.00 0.00 C ATOM 1233 O PHE A 78 26.583 4.800 9.665 1.00 0.00 O ATOM 1234 CB PHE A 78 25.765 1.876 9.033 1.00 0.00 C ATOM 1235 CG PHE A 78 25.928 0.399 9.397 1.00 0.00 C ATOM 1236 CD1 PHE A 78 26.355 0.047 10.639 1.00 0.00 C ATOM 1237 CD2 PHE A 78 25.647 -0.563 8.477 1.00 0.00 C ATOM 1238 CE1 PHE A 78 26.506 -1.324 10.977 1.00 0.00 C ATOM 1239 CE2 PHE A 78 25.798 -1.934 8.815 1.00 0.00 C ATOM 1240 CZ PHE A 78 26.225 -2.285 10.057 1.00 0.00 C ATOM 0 H PHE A 78 27.711 2.925 10.790 1.00 0.00 H new ATOM 0 HA PHE A 78 27.596 2.279 7.909 1.00 0.00 H new ATOM 0 HB2 PHE A 78 25.210 2.376 9.826 1.00 0.00 H new ATOM 0 HB3 PHE A 78 25.164 1.952 8.127 1.00 0.00 H new ATOM 0 HD1 PHE A 78 26.579 0.811 11.369 1.00 0.00 H new ATOM 0 HD2 PHE A 78 25.309 -0.284 7.490 1.00 0.00 H new ATOM 0 HE1 PHE A 78 26.844 -1.603 11.964 1.00 0.00 H new ATOM 0 HE2 PHE A 78 25.574 -2.698 8.085 1.00 0.00 H new ATOM 0 HZ PHE A 78 26.341 -3.328 10.313 1.00 0.00 H new ATOM 1250 N SER A 79 26.826 4.568 7.428 1.00 0.00 N ATOM 1251 CA SER A 79 26.576 5.970 7.143 1.00 0.00 C ATOM 1252 C SER A 79 25.087 6.279 7.304 1.00 0.00 C ATOM 1253 O SER A 79 24.709 7.425 7.542 1.00 0.00 O ATOM 1254 CB SER A 79 27.046 6.338 5.734 1.00 0.00 C ATOM 1255 OG SER A 79 28.442 6.618 5.693 1.00 0.00 O ATOM 0 H SER A 79 27.012 3.992 6.607 1.00 0.00 H new ATOM 0 HA SER A 79 27.144 6.570 7.854 1.00 0.00 H new ATOM 0 HB2 SER A 79 26.820 5.519 5.051 1.00 0.00 H new ATOM 0 HB3 SER A 79 26.491 7.208 5.383 1.00 0.00 H new ATOM 0 HG SER A 79 28.703 6.847 4.777 1.00 0.00 H new ATOM 1261 N THR A 80 24.280 5.237 7.167 1.00 0.00 N ATOM 1262 CA THR A 80 22.840 5.382 7.294 1.00 0.00 C ATOM 1263 C THR A 80 22.270 4.284 8.194 1.00 0.00 C ATOM 1264 O THR A 80 22.873 3.221 8.340 1.00 0.00 O ATOM 1265 CB THR A 80 22.240 5.388 5.887 1.00 0.00 C ATOM 1266 OG1 THR A 80 22.982 4.391 5.189 1.00 0.00 O ATOM 1267 CG2 THR A 80 22.544 6.680 5.126 1.00 0.00 C ATOM 0 H THR A 80 24.597 4.288 6.969 1.00 0.00 H new ATOM 0 HA THR A 80 22.578 6.323 7.778 1.00 0.00 H new ATOM 0 HB THR A 80 21.161 5.251 5.952 1.00 0.00 H new ATOM 0 HG1 THR A 80 22.771 4.435 4.233 1.00 0.00 H new ATOM 0 HG21 THR A 80 22.095 6.632 4.134 1.00 0.00 H new ATOM 0 HG22 THR A 80 22.130 7.529 5.671 1.00 0.00 H new ATOM 0 HG23 THR A 80 23.623 6.801 5.031 1.00 0.00 H new ATOM 1275 N LEU A 81 21.116 4.578 8.773 1.00 0.00 N ATOM 1276 CA LEU A 81 20.458 3.628 9.655 1.00 0.00 C ATOM 1277 C LEU A 81 19.736 2.574 8.813 1.00 0.00 C ATOM 1278 O LEU A 81 19.494 1.462 9.279 1.00 0.00 O ATOM 1279 CB LEU A 81 19.545 4.358 10.642 1.00 0.00 C ATOM 1280 CG LEU A 81 20.204 4.834 11.938 1.00 0.00 C ATOM 1281 CD1 LEU A 81 19.376 5.938 12.601 1.00 0.00 C ATOM 1282 CD2 LEU A 81 20.459 3.662 12.887 1.00 0.00 C ATOM 0 H LEU A 81 20.619 5.460 8.649 1.00 0.00 H new ATOM 0 HA LEU A 81 21.192 3.102 10.265 1.00 0.00 H new ATOM 0 HB2 LEU A 81 19.115 5.223 10.137 1.00 0.00 H new ATOM 0 HB3 LEU A 81 18.718 3.696 10.900 1.00 0.00 H new ATOM 0 HG LEU A 81 21.174 5.264 11.689 1.00 0.00 H new ATOM 0 HD11 LEU A 81 19.866 6.258 13.520 1.00 0.00 H new ATOM 0 HD12 LEU A 81 19.289 6.786 11.921 1.00 0.00 H new ATOM 0 HD13 LEU A 81 18.382 5.557 12.834 1.00 0.00 H new ATOM 0 HD21 LEU A 81 20.928 4.029 13.800 1.00 0.00 H new ATOM 0 HD22 LEU A 81 19.513 3.181 13.133 1.00 0.00 H new ATOM 0 HD23 LEU A 81 21.118 2.940 12.405 1.00 0.00 H new ATOM 1294 N GLN A 82 19.411 2.961 7.588 1.00 0.00 N ATOM 1295 CA GLN A 82 18.722 2.063 6.678 1.00 0.00 C ATOM 1296 C GLN A 82 19.655 0.932 6.239 1.00 0.00 C ATOM 1297 O GLN A 82 19.200 -0.168 5.929 1.00 0.00 O ATOM 1298 CB GLN A 82 18.175 2.823 5.468 1.00 0.00 C ATOM 1299 CG GLN A 82 17.356 1.899 4.564 1.00 0.00 C ATOM 1300 CD GLN A 82 15.963 1.654 5.148 1.00 0.00 C ATOM 1301 OE1 GLN A 82 15.269 2.565 5.569 1.00 0.00 O ATOM 1302 NE2 GLN A 82 15.595 0.376 5.151 1.00 0.00 N ATOM 0 H GLN A 82 19.612 3.885 7.205 1.00 0.00 H new ATOM 0 HA GLN A 82 17.874 1.624 7.204 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.553 3.652 5.806 1.00 0.00 H new ATOM 0 HB3 GLN A 82 19.000 3.254 4.901 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.266 2.342 3.572 1.00 0.00 H new ATOM 0 HG3 GLN A 82 17.876 0.949 4.443 1.00 0.00 H new ATOM 0 HE21 GLN A 82 16.225 -0.337 4.783 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.683 0.109 5.521 1.00 0.00 H new ATOM 1311 N GLU A 83 20.943 1.242 6.227 1.00 0.00 N ATOM 1312 CA GLU A 83 21.944 0.266 5.832 1.00 0.00 C ATOM 1313 C GLU A 83 22.291 -0.646 7.010 1.00 0.00 C ATOM 1314 O GLU A 83 22.774 -1.760 6.816 1.00 0.00 O ATOM 1315 CB GLU A 83 23.195 0.955 5.284 1.00 0.00 C ATOM 1316 CG GLU A 83 22.914 1.607 3.929 1.00 0.00 C ATOM 1317 CD GLU A 83 23.116 0.608 2.788 1.00 0.00 C ATOM 1318 OE1 GLU A 83 22.243 -0.276 2.646 1.00 0.00 O ATOM 1319 OE2 GLU A 83 24.138 0.750 2.082 1.00 0.00 O ATOM 0 H GLU A 83 21.316 2.156 6.485 1.00 0.00 H new ATOM 0 HA GLU A 83 21.529 -0.348 5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 83 23.537 1.711 5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 83 24.000 0.227 5.181 1.00 0.00 H new ATOM 0 HG2 GLU A 83 21.892 1.986 3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 83 23.574 2.463 3.789 1.00 0.00 H new ATOM 1326 N LEU A 84 22.030 -0.139 8.206 1.00 0.00 N ATOM 1327 CA LEU A 84 22.308 -0.893 9.416 1.00 0.00 C ATOM 1328 C LEU A 84 21.126 -1.816 9.720 1.00 0.00 C ATOM 1329 O LEU A 84 21.303 -2.885 10.303 1.00 0.00 O ATOM 1330 CB LEU A 84 22.663 0.051 10.567 1.00 0.00 C ATOM 1331 CG LEU A 84 22.806 -0.597 11.946 1.00 0.00 C ATOM 1332 CD1 LEU A 84 23.798 0.178 12.815 1.00 0.00 C ATOM 1333 CD2 LEU A 84 21.443 -0.745 12.625 1.00 0.00 C ATOM 0 H LEU A 84 21.629 0.786 8.363 1.00 0.00 H new ATOM 0 HA LEU A 84 23.182 -1.529 9.275 1.00 0.00 H new ATOM 0 HB2 LEU A 84 23.600 0.552 10.324 1.00 0.00 H new ATOM 0 HB3 LEU A 84 21.895 0.823 10.628 1.00 0.00 H new ATOM 0 HG LEU A 84 23.210 -1.600 11.813 1.00 0.00 H new ATOM 0 HD11 LEU A 84 23.881 -0.303 13.789 1.00 0.00 H new ATOM 0 HD12 LEU A 84 24.775 0.189 12.331 1.00 0.00 H new ATOM 0 HD13 LEU A 84 23.446 1.201 12.945 1.00 0.00 H new ATOM 0 HD21 LEU A 84 21.572 -1.208 13.603 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.988 0.238 12.746 1.00 0.00 H new ATOM 0 HD23 LEU A 84 20.796 -1.371 12.010 1.00 0.00 H new ATOM 1345 N VAL A 85 19.948 -1.370 9.311 1.00 0.00 N ATOM 1346 CA VAL A 85 18.737 -2.142 9.532 1.00 0.00 C ATOM 1347 C VAL A 85 18.709 -3.327 8.564 1.00 0.00 C ATOM 1348 O VAL A 85 18.224 -4.403 8.909 1.00 0.00 O ATOM 1349 CB VAL A 85 17.509 -1.238 9.406 1.00 0.00 C ATOM 1350 CG1 VAL A 85 16.252 -2.059 9.115 1.00 0.00 C ATOM 1351 CG2 VAL A 85 17.328 -0.382 10.661 1.00 0.00 C ATOM 0 H VAL A 85 19.806 -0.483 8.827 1.00 0.00 H new ATOM 0 HA VAL A 85 18.722 -2.548 10.544 1.00 0.00 H new ATOM 0 HB VAL A 85 17.672 -0.566 8.563 1.00 0.00 H new ATOM 0 HG11 VAL A 85 15.394 -1.393 9.030 1.00 0.00 H new ATOM 0 HG12 VAL A 85 16.382 -2.604 8.180 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.083 -2.766 9.927 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.448 0.251 10.546 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.197 -1.030 11.528 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.209 0.243 10.805 1.00 0.00 H new ATOM 1361 N ASP A 86 19.236 -3.088 7.372 1.00 0.00 N ATOM 1362 CA ASP A 86 19.277 -4.122 6.352 1.00 0.00 C ATOM 1363 C ASP A 86 20.338 -5.159 6.726 1.00 0.00 C ATOM 1364 O ASP A 86 20.124 -6.359 6.560 1.00 0.00 O ATOM 1365 CB ASP A 86 19.648 -3.536 4.988 1.00 0.00 C ATOM 1366 CG ASP A 86 18.529 -2.760 4.292 1.00 0.00 C ATOM 1367 OD1 ASP A 86 17.446 -2.652 4.906 1.00 0.00 O ATOM 1368 OD2 ASP A 86 18.782 -2.292 3.160 1.00 0.00 O ATOM 0 H ASP A 86 19.638 -2.194 7.090 1.00 0.00 H new ATOM 0 HA ASP A 86 18.288 -4.576 6.292 1.00 0.00 H new ATOM 0 HB2 ASP A 86 20.504 -2.874 5.115 1.00 0.00 H new ATOM 0 HB3 ASP A 86 19.967 -4.348 4.335 1.00 0.00 H new ATOM 1373 N HIS A 87 21.460 -4.658 7.222 1.00 0.00 N ATOM 1374 CA HIS A 87 22.555 -5.526 7.621 1.00 0.00 C ATOM 1375 C HIS A 87 22.099 -6.435 8.765 1.00 0.00 C ATOM 1376 O HIS A 87 22.540 -7.579 8.867 1.00 0.00 O ATOM 1377 CB HIS A 87 23.797 -4.706 7.974 1.00 0.00 C ATOM 1378 CG HIS A 87 25.046 -5.534 8.166 1.00 0.00 C ATOM 1379 ND1 HIS A 87 25.932 -5.803 7.137 1.00 0.00 N ATOM 1380 CD2 HIS A 87 25.546 -6.148 9.276 1.00 0.00 C ATOM 1381 CE1 HIS A 87 26.917 -6.547 7.618 1.00 0.00 C ATOM 1382 NE2 HIS A 87 26.676 -6.760 8.944 1.00 0.00 N ATOM 0 H HIS A 87 21.634 -3.662 7.357 1.00 0.00 H new ATOM 0 HA HIS A 87 22.839 -6.166 6.786 1.00 0.00 H new ATOM 0 HB2 HIS A 87 23.975 -3.977 7.184 1.00 0.00 H new ATOM 0 HB3 HIS A 87 23.602 -4.145 8.888 1.00 0.00 H new ATOM 0 HD1 HIS A 87 25.842 -5.483 6.173 1.00 0.00 H new ATOM 0 HD2 HIS A 87 25.098 -6.138 10.259 1.00 0.00 H new ATOM 0 HE1 HIS A 87 27.762 -6.920 7.059 1.00 0.00 H new ATOM 1390 N TYR A 88 21.223 -5.891 9.596 1.00 0.00 N ATOM 1391 CA TYR A 88 20.703 -6.638 10.729 1.00 0.00 C ATOM 1392 C TYR A 88 19.654 -7.657 10.279 1.00 0.00 C ATOM 1393 O TYR A 88 19.467 -8.688 10.924 1.00 0.00 O ATOM 1394 CB TYR A 88 20.037 -5.609 11.644 1.00 0.00 C ATOM 1395 CG TYR A 88 21.014 -4.856 12.549 1.00 0.00 C ATOM 1396 CD1 TYR A 88 22.323 -4.673 12.150 1.00 0.00 C ATOM 1397 CD2 TYR A 88 20.588 -4.361 13.765 1.00 0.00 C ATOM 1398 CE1 TYR A 88 23.243 -3.964 13.002 1.00 0.00 C ATOM 1399 CE2 TYR A 88 21.508 -3.653 14.617 1.00 0.00 C ATOM 1400 CZ TYR A 88 22.790 -3.490 14.194 1.00 0.00 C ATOM 1401 OH TYR A 88 23.658 -2.821 14.998 1.00 0.00 O ATOM 0 H TYR A 88 20.860 -4.942 9.508 1.00 0.00 H new ATOM 0 HA TYR A 88 21.504 -7.184 11.228 1.00 0.00 H new ATOM 0 HB2 TYR A 88 19.497 -4.888 11.030 1.00 0.00 H new ATOM 0 HB3 TYR A 88 19.298 -6.115 12.266 1.00 0.00 H new ATOM 0 HD1 TYR A 88 22.657 -5.061 11.199 1.00 0.00 H new ATOM 0 HD2 TYR A 88 19.564 -4.505 14.078 1.00 0.00 H new ATOM 0 HE1 TYR A 88 24.269 -3.812 12.701 1.00 0.00 H new ATOM 0 HE2 TYR A 88 21.187 -3.260 15.570 1.00 0.00 H new ATOM 0 HH TYR A 88 23.859 -3.366 15.787 1.00 0.00 H new ATOM 1411 N LYS A 89 18.996 -7.333 9.175 1.00 0.00 N ATOM 1412 CA LYS A 89 17.971 -8.207 8.631 1.00 0.00 C ATOM 1413 C LYS A 89 18.635 -9.420 7.977 1.00 0.00 C ATOM 1414 O LYS A 89 18.014 -10.473 7.839 1.00 0.00 O ATOM 1415 CB LYS A 89 17.048 -7.429 7.690 1.00 0.00 C ATOM 1416 CG LYS A 89 16.007 -6.632 8.478 1.00 0.00 C ATOM 1417 CD LYS A 89 14.757 -6.378 7.633 1.00 0.00 C ATOM 1418 CE LYS A 89 14.769 -4.965 7.047 1.00 0.00 C ATOM 1419 NZ LYS A 89 15.103 -5.005 5.605 1.00 0.00 N ATOM 0 H LYS A 89 19.153 -6.477 8.643 1.00 0.00 H new ATOM 0 HA LYS A 89 17.331 -8.585 9.428 1.00 0.00 H new ATOM 0 HB2 LYS A 89 17.639 -6.752 7.073 1.00 0.00 H new ATOM 0 HB3 LYS A 89 16.546 -8.121 7.013 1.00 0.00 H new ATOM 0 HG2 LYS A 89 15.735 -7.177 9.382 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.435 -5.681 8.795 1.00 0.00 H new ATOM 0 HD2 LYS A 89 14.704 -7.109 6.827 1.00 0.00 H new ATOM 0 HD3 LYS A 89 13.866 -6.514 8.246 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.794 -4.498 7.188 1.00 0.00 H new ATOM 0 HE3 LYS A 89 15.496 -4.351 7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 15.107 -4.038 5.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 16.043 -5.431 5.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.394 -5.574 5.100 1.00 0.00 H new ATOM 1433 N LYS A 90 19.889 -9.232 7.592 1.00 0.00 N ATOM 1434 CA LYS A 90 20.644 -10.298 6.957 1.00 0.00 C ATOM 1435 C LYS A 90 21.270 -11.186 8.034 1.00 0.00 C ATOM 1436 O LYS A 90 21.495 -12.375 7.810 1.00 0.00 O ATOM 1437 CB LYS A 90 21.659 -9.720 5.969 1.00 0.00 C ATOM 1438 CG LYS A 90 21.010 -9.454 4.609 1.00 0.00 C ATOM 1439 CD LYS A 90 21.914 -9.928 3.468 1.00 0.00 C ATOM 1440 CE LYS A 90 21.107 -10.671 2.402 1.00 0.00 C ATOM 1441 NZ LYS A 90 21.861 -10.731 1.130 1.00 0.00 N ATOM 0 H LYS A 90 20.401 -8.357 7.708 1.00 0.00 H new ATOM 0 HA LYS A 90 19.984 -10.932 6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 90 22.072 -8.793 6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 90 22.491 -10.414 5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 90 20.050 -9.967 4.554 1.00 0.00 H new ATOM 0 HG3 LYS A 90 20.809 -8.388 4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 90 22.417 -9.072 3.018 1.00 0.00 H new ATOM 0 HD3 LYS A 90 22.691 -10.582 3.863 1.00 0.00 H new ATOM 0 HE2 LYS A 90 20.881 -11.680 2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 90 20.153 -10.168 2.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 21.299 -11.239 0.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 22.054 -9.766 0.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 22.760 -11.231 1.283 1.00 0.00 H new ATOM 1455 N GLY A 91 21.535 -10.575 9.179 1.00 0.00 N ATOM 1456 CA GLY A 91 22.131 -11.295 10.291 1.00 0.00 C ATOM 1457 C GLY A 91 22.412 -10.355 11.465 1.00 0.00 C ATOM 1458 O GLY A 91 22.553 -9.147 11.279 1.00 0.00 O ATOM 0 H GLY A 91 21.348 -9.589 9.361 1.00 0.00 H new ATOM 0 HA2 GLY A 91 21.462 -12.094 10.612 1.00 0.00 H new ATOM 0 HA3 GLY A 91 23.059 -11.767 9.968 1.00 0.00 H new ATOM 1462 N ASN A 92 22.485 -10.945 12.650 1.00 0.00 N ATOM 1463 CA ASN A 92 22.746 -10.175 13.854 1.00 0.00 C ATOM 1464 C ASN A 92 24.106 -9.485 13.728 1.00 0.00 C ATOM 1465 O ASN A 92 24.221 -8.283 13.965 1.00 0.00 O ATOM 1466 CB ASN A 92 22.787 -11.079 15.088 1.00 0.00 C ATOM 1467 CG ASN A 92 23.624 -12.332 14.821 1.00 0.00 C ATOM 1468 OD1 ASN A 92 23.477 -13.006 13.815 1.00 0.00 O ATOM 1469 ND2 ASN A 92 24.508 -12.606 15.777 1.00 0.00 N ATOM 0 H ASN A 92 22.368 -11.947 12.801 1.00 0.00 H new ATOM 0 HA ASN A 92 21.944 -9.445 13.968 1.00 0.00 H new ATOM 0 HB2 ASN A 92 23.206 -10.530 15.932 1.00 0.00 H new ATOM 0 HB3 ASN A 92 21.773 -11.367 15.366 1.00 0.00 H new ATOM 0 HD21 ASN A 92 25.114 -13.422 15.693 1.00 0.00 H new ATOM 0 HD22 ASN A 92 24.580 -12.000 16.594 1.00 0.00 H new ATOM 1476 N ASP A 93 25.103 -10.275 13.356 1.00 0.00 N ATOM 1477 CA ASP A 93 26.450 -9.755 13.196 1.00 0.00 C ATOM 1478 C ASP A 93 26.778 -8.831 14.370 1.00 0.00 C ATOM 1479 O ASP A 93 27.124 -7.667 14.171 1.00 0.00 O ATOM 1480 CB ASP A 93 26.577 -8.943 11.905 1.00 0.00 C ATOM 1481 CG ASP A 93 28.012 -8.712 11.426 1.00 0.00 C ATOM 1482 OD1 ASP A 93 28.554 -9.642 10.790 1.00 0.00 O ATOM 1483 OD2 ASP A 93 28.533 -7.611 11.706 1.00 0.00 O ATOM 0 H ASP A 93 25.004 -11.271 13.161 1.00 0.00 H new ATOM 0 HA ASP A 93 27.136 -10.601 13.159 1.00 0.00 H new ATOM 0 HB2 ASP A 93 26.024 -9.453 11.116 1.00 0.00 H new ATOM 0 HB3 ASP A 93 26.099 -7.975 12.054 1.00 0.00 H new ATOM 1488 N GLY A 94 26.658 -9.384 15.568 1.00 0.00 N ATOM 1489 CA GLY A 94 26.938 -8.623 16.775 1.00 0.00 C ATOM 1490 C GLY A 94 25.771 -8.710 17.760 1.00 0.00 C ATOM 1491 O GLY A 94 25.975 -8.934 18.952 1.00 0.00 O ATOM 0 H GLY A 94 26.371 -10.349 15.729 1.00 0.00 H new ATOM 0 HA2 GLY A 94 27.845 -9.002 17.246 1.00 0.00 H new ATOM 0 HA3 GLY A 94 27.124 -7.580 16.517 1.00 0.00 H new ATOM 1495 N LEU A 95 24.572 -8.527 17.226 1.00 0.00 N ATOM 1496 CA LEU A 95 23.372 -8.582 18.044 1.00 0.00 C ATOM 1497 C LEU A 95 23.228 -9.984 18.637 1.00 0.00 C ATOM 1498 O LEU A 95 24.085 -10.841 18.429 1.00 0.00 O ATOM 1499 CB LEU A 95 22.154 -8.126 17.238 1.00 0.00 C ATOM 1500 CG LEU A 95 22.200 -6.693 16.704 1.00 0.00 C ATOM 1501 CD1 LEU A 95 20.945 -6.370 15.891 1.00 0.00 C ATOM 1502 CD2 LEU A 95 22.421 -5.692 17.840 1.00 0.00 C ATOM 0 H LEU A 95 24.406 -8.341 16.237 1.00 0.00 H new ATOM 0 HA LEU A 95 23.449 -7.889 18.881 1.00 0.00 H new ATOM 0 HB2 LEU A 95 22.028 -8.803 16.393 1.00 0.00 H new ATOM 0 HB3 LEU A 95 21.269 -8.230 17.865 1.00 0.00 H new ATOM 0 HG LEU A 95 23.051 -6.607 16.029 1.00 0.00 H new ATOM 0 HD11 LEU A 95 21.003 -5.346 15.523 1.00 0.00 H new ATOM 0 HD12 LEU A 95 20.872 -7.055 15.046 1.00 0.00 H new ATOM 0 HD13 LEU A 95 20.064 -6.479 16.523 1.00 0.00 H new ATOM 0 HD21 LEU A 95 22.450 -4.681 17.434 1.00 0.00 H new ATOM 0 HD22 LEU A 95 21.605 -5.771 18.559 1.00 0.00 H new ATOM 0 HD23 LEU A 95 23.366 -5.910 18.338 1.00 0.00 H new ATOM 1514 N CYS A 96 22.136 -10.176 19.363 1.00 0.00 N ATOM 1515 CA CYS A 96 21.869 -11.460 19.988 1.00 0.00 C ATOM 1516 C CYS A 96 21.120 -12.336 18.982 1.00 0.00 C ATOM 1517 O CYS A 96 21.413 -13.524 18.849 1.00 0.00 O ATOM 1518 CB CYS A 96 21.092 -11.301 21.297 1.00 0.00 C ATOM 1519 SG CYS A 96 19.517 -10.421 20.987 1.00 0.00 S ATOM 0 H CYS A 96 21.426 -9.464 19.532 1.00 0.00 H new ATOM 0 HA CYS A 96 22.810 -11.940 20.257 1.00 0.00 H new ATOM 0 HB2 CYS A 96 20.892 -12.280 21.732 1.00 0.00 H new ATOM 0 HB3 CYS A 96 21.691 -10.748 22.020 1.00 0.00 H new ATOM 0 HG CYS A 96 19.720 -9.138 21.037 1.00 0.00 H new ATOM 1525 N GLN A 97 20.168 -11.717 18.300 1.00 0.00 N ATOM 1526 CA GLN A 97 19.374 -12.427 17.310 1.00 0.00 C ATOM 1527 C GLN A 97 19.099 -11.525 16.106 1.00 0.00 C ATOM 1528 O GLN A 97 18.765 -10.352 16.268 1.00 0.00 O ATOM 1529 CB GLN A 97 18.069 -12.941 17.920 1.00 0.00 C ATOM 1530 CG GLN A 97 18.346 -13.884 19.093 1.00 0.00 C ATOM 1531 CD GLN A 97 17.167 -14.831 19.326 1.00 0.00 C ATOM 1532 OE1 GLN A 97 16.140 -14.271 19.959 1.00 0.00 O flip ATOM 1533 NE2 GLN A 97 17.189 -15.993 18.955 1.00 0.00 N flip ATOM 0 H GLN A 97 19.928 -10.732 18.413 1.00 0.00 H new ATOM 0 HA GLN A 97 19.942 -13.292 16.969 1.00 0.00 H new ATOM 0 HB2 GLN A 97 17.466 -12.099 18.260 1.00 0.00 H new ATOM 0 HB3 GLN A 97 17.488 -13.462 17.159 1.00 0.00 H new ATOM 0 HG2 GLN A 97 19.248 -14.463 18.894 1.00 0.00 H new ATOM 0 HG3 GLN A 97 18.533 -13.302 19.995 1.00 0.00 H new ATOM 0 HE21 GLN A 97 18.010 -16.359 18.474 1.00 0.00 H new ATOM 0 HE22 GLN A 97 16.386 -16.598 19.126 1.00 0.00 H new ATOM 1542 N LYS A 98 19.248 -12.106 14.925 1.00 0.00 N ATOM 1543 CA LYS A 98 19.020 -11.369 13.693 1.00 0.00 C ATOM 1544 C LYS A 98 17.628 -10.736 13.735 1.00 0.00 C ATOM 1545 O LYS A 98 16.779 -11.144 14.526 1.00 0.00 O ATOM 1546 CB LYS A 98 19.249 -12.271 12.479 1.00 0.00 C ATOM 1547 CG LYS A 98 18.214 -13.397 12.428 1.00 0.00 C ATOM 1548 CD LYS A 98 18.865 -14.724 12.033 1.00 0.00 C ATOM 1549 CE LYS A 98 17.907 -15.578 11.201 1.00 0.00 C ATOM 1550 NZ LYS A 98 18.652 -16.621 10.461 1.00 0.00 N ATOM 0 H LYS A 98 19.524 -13.079 14.795 1.00 0.00 H new ATOM 0 HA LYS A 98 19.739 -10.555 13.596 1.00 0.00 H new ATOM 0 HB2 LYS A 98 19.192 -11.679 11.566 1.00 0.00 H new ATOM 0 HB3 LYS A 98 20.252 -12.696 12.521 1.00 0.00 H new ATOM 0 HG2 LYS A 98 17.734 -13.499 13.401 1.00 0.00 H new ATOM 0 HG3 LYS A 98 17.432 -13.144 11.712 1.00 0.00 H new ATOM 0 HD2 LYS A 98 19.774 -14.532 11.464 1.00 0.00 H new ATOM 0 HD3 LYS A 98 19.159 -15.270 12.929 1.00 0.00 H new ATOM 0 HE2 LYS A 98 17.167 -16.044 11.852 1.00 0.00 H new ATOM 0 HE3 LYS A 98 17.362 -14.946 10.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 17.987 -17.192 9.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 19.341 -16.171 9.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 19.152 -17.235 11.135 1.00 0.00 H new ATOM 1564 N LEU A 99 17.437 -9.748 12.872 1.00 0.00 N ATOM 1565 CA LEU A 99 16.162 -9.054 12.800 1.00 0.00 C ATOM 1566 C LEU A 99 15.209 -9.838 11.896 1.00 0.00 C ATOM 1567 O LEU A 99 15.622 -10.370 10.866 1.00 0.00 O ATOM 1568 CB LEU A 99 16.367 -7.601 12.365 1.00 0.00 C ATOM 1569 CG LEU A 99 16.961 -6.663 13.418 1.00 0.00 C ATOM 1570 CD1 LEU A 99 16.921 -5.210 12.941 1.00 0.00 C ATOM 1571 CD2 LEU A 99 16.264 -6.843 14.768 1.00 0.00 C ATOM 0 H LEU A 99 18.143 -9.412 12.217 1.00 0.00 H new ATOM 0 HA LEU A 99 15.699 -9.005 13.785 1.00 0.00 H new ATOM 0 HB2 LEU A 99 17.018 -7.593 11.491 1.00 0.00 H new ATOM 0 HB3 LEU A 99 15.405 -7.198 12.049 1.00 0.00 H new ATOM 0 HG LEU A 99 18.009 -6.927 13.560 1.00 0.00 H new ATOM 0 HD11 LEU A 99 17.349 -4.564 13.707 1.00 0.00 H new ATOM 0 HD12 LEU A 99 17.498 -5.113 12.021 1.00 0.00 H new ATOM 0 HD13 LEU A 99 15.888 -4.917 12.754 1.00 0.00 H new ATOM 0 HD21 LEU A 99 16.705 -6.165 15.498 1.00 0.00 H new ATOM 0 HD22 LEU A 99 15.202 -6.621 14.662 1.00 0.00 H new ATOM 0 HD23 LEU A 99 16.388 -7.872 15.107 1.00 0.00 H new ATOM 1583 N SER A 100 13.953 -9.886 12.313 1.00 0.00 N ATOM 1584 CA SER A 100 12.938 -10.596 11.554 1.00 0.00 C ATOM 1585 C SER A 100 12.096 -9.604 10.750 1.00 0.00 C ATOM 1586 O SER A 100 12.278 -9.466 9.541 1.00 0.00 O ATOM 1587 CB SER A 100 12.043 -11.429 12.475 1.00 0.00 C ATOM 1588 OG SER A 100 11.341 -10.618 13.412 1.00 0.00 O ATOM 0 H SER A 100 13.615 -9.444 13.168 1.00 0.00 H new ATOM 0 HA SER A 100 13.439 -11.277 10.867 1.00 0.00 H new ATOM 0 HB2 SER A 100 11.328 -11.991 11.874 1.00 0.00 H new ATOM 0 HB3 SER A 100 12.652 -12.158 13.010 1.00 0.00 H new ATOM 0 HG SER A 100 10.732 -11.178 13.938 1.00 0.00 H new ATOM 1594 N VAL A 101 11.191 -8.939 11.453 1.00 0.00 N ATOM 1595 CA VAL A 101 10.320 -7.963 10.820 1.00 0.00 C ATOM 1596 C VAL A 101 10.126 -6.773 11.761 1.00 0.00 C ATOM 1597 O VAL A 101 10.208 -6.920 12.979 1.00 0.00 O ATOM 1598 CB VAL A 101 9.002 -8.625 10.413 1.00 0.00 C ATOM 1599 CG1 VAL A 101 9.229 -9.676 9.324 1.00 0.00 C ATOM 1600 CG2 VAL A 101 8.298 -9.236 11.626 1.00 0.00 C ATOM 0 H VAL A 101 11.042 -9.057 12.455 1.00 0.00 H new ATOM 0 HA VAL A 101 10.774 -7.583 9.905 1.00 0.00 H new ATOM 0 HB VAL A 101 8.352 -7.852 10.002 1.00 0.00 H new ATOM 0 HG11 VAL A 101 8.276 -10.131 9.053 1.00 0.00 H new ATOM 0 HG12 VAL A 101 9.667 -9.201 8.446 1.00 0.00 H new ATOM 0 HG13 VAL A 101 9.906 -10.445 9.696 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.364 -9.700 11.309 1.00 0.00 H new ATOM 0 HG22 VAL A 101 8.942 -9.990 12.079 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.086 -8.454 12.355 1.00 0.00 H new ATOM 1610 N PRO A 102 9.865 -5.589 11.144 1.00 0.00 N ATOM 1611 CA PRO A 102 9.658 -4.374 11.913 1.00 0.00 C ATOM 1612 C PRO A 102 8.279 -4.372 12.575 1.00 0.00 C ATOM 1613 O PRO A 102 7.329 -4.942 12.040 1.00 0.00 O ATOM 1614 CB PRO A 102 9.840 -3.241 10.915 1.00 0.00 C ATOM 1615 CG PRO A 102 9.681 -3.868 9.539 1.00 0.00 C ATOM 1616 CD PRO A 102 9.760 -5.377 9.703 1.00 0.00 C ATOM 0 HA PRO A 102 10.361 -4.275 12.740 1.00 0.00 H new ATOM 0 HB2 PRO A 102 9.100 -2.457 11.075 1.00 0.00 H new ATOM 0 HB3 PRO A 102 10.822 -2.779 11.023 1.00 0.00 H new ATOM 0 HG2 PRO A 102 8.727 -3.581 9.097 1.00 0.00 H new ATOM 0 HG3 PRO A 102 10.463 -3.516 8.866 1.00 0.00 H new ATOM 0 HD2 PRO A 102 8.876 -5.866 9.294 1.00 0.00 H new ATOM 0 HD3 PRO A 102 10.623 -5.788 9.179 1.00 0.00 H new ATOM 1624 N CYS A 103 8.213 -3.725 13.729 1.00 0.00 N ATOM 1625 CA CYS A 103 6.966 -3.642 14.470 1.00 0.00 C ATOM 1626 C CYS A 103 5.838 -3.346 13.480 1.00 0.00 C ATOM 1627 O CYS A 103 6.069 -2.749 12.430 1.00 0.00 O ATOM 1628 CB CYS A 103 7.038 -2.594 15.583 1.00 0.00 C ATOM 1629 SG CYS A 103 5.744 -2.921 16.835 1.00 0.00 S ATOM 0 H CYS A 103 9.003 -3.253 14.169 1.00 0.00 H new ATOM 0 HA CYS A 103 6.772 -4.592 14.967 1.00 0.00 H new ATOM 0 HB2 CYS A 103 8.022 -2.616 16.051 1.00 0.00 H new ATOM 0 HB3 CYS A 103 6.906 -1.597 15.164 1.00 0.00 H new ATOM 0 HG CYS A 103 5.331 -4.148 16.722 1.00 0.00 H new ATOM 1635 N MET A 104 4.641 -3.778 13.850 1.00 0.00 N ATOM 1636 CA MET A 104 3.476 -3.567 13.007 1.00 0.00 C ATOM 1637 C MET A 104 2.852 -2.195 13.268 1.00 0.00 C ATOM 1638 O MET A 104 2.729 -1.774 14.417 1.00 0.00 O ATOM 1639 CB MET A 104 2.442 -4.660 13.283 1.00 0.00 C ATOM 1640 CG MET A 104 2.907 -6.008 12.728 1.00 0.00 C ATOM 1641 SD MET A 104 2.325 -6.212 11.053 1.00 0.00 S ATOM 1642 CE MET A 104 3.821 -5.831 10.157 1.00 0.00 C ATOM 0 H MET A 104 4.453 -4.273 14.722 1.00 0.00 H new ATOM 0 HA MET A 104 3.792 -3.609 11.965 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.274 -4.743 14.357 1.00 0.00 H new ATOM 0 HB3 MET A 104 1.489 -4.386 12.831 1.00 0.00 H new ATOM 0 HG2 MET A 104 3.995 -6.065 12.753 1.00 0.00 H new ATOM 0 HG3 MET A 104 2.531 -6.817 13.354 1.00 0.00 H new ATOM 0 HE1 MET A 104 3.826 -6.372 9.211 1.00 0.00 H new ATOM 0 HE2 MET A 104 3.866 -4.759 9.963 1.00 0.00 H new ATOM 0 HE3 MET A 104 4.686 -6.129 10.750 1.00 0.00 H new