USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 565 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 21 GLN : amide:sc= -1.71 X(o=-1.7,f=-1.8) USER MOD Set 1.2: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -22:sc= 0.285 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 0:sc= -1.2 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -3.23! K(o=-3.2!,f=-0.78) USER MOD Single : A 27 ASN : amide:sc=-0.00204 X(o=-0.002,f=0) USER MOD Single : A 30 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.3) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -1.79 K(o=-1.8,f=-15!) USER MOD Single : A 64 THR OG1 : rot -131:sc= 0.349 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.316 K(o=-0.32,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -11.076 5.463 5.215 1.00 0.00 N ATOM 49 CA SER A 6 -9.974 6.373 4.954 1.00 0.00 C ATOM 50 C SER A 6 -10.049 6.886 3.514 1.00 0.00 C ATOM 51 O SER A 6 -9.857 8.075 3.264 1.00 0.00 O ATOM 52 CB SER A 6 -8.627 5.693 5.205 1.00 0.00 C ATOM 53 OG SER A 6 -8.608 4.351 4.726 1.00 0.00 O ATOM 0 HA SER A 6 -10.058 7.217 5.639 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.837 6.263 4.717 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.411 5.699 6.273 1.00 0.00 H new ATOM 0 HG SER A 6 -9.526 4.015 4.659 1.00 0.00 H new ATOM 59 N GLY A 7 -10.328 5.964 2.605 1.00 0.00 N ATOM 60 CA GLY A 7 -10.430 6.308 1.197 1.00 0.00 C ATOM 61 C GLY A 7 -11.300 7.551 0.998 1.00 0.00 C ATOM 62 O GLY A 7 -11.180 8.241 -0.013 1.00 0.00 O ATOM 0 H GLY A 7 -10.487 4.979 2.816 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.435 6.487 0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.855 5.470 0.644 1.00 0.00 H new ATOM 66 N ALA A 8 -12.155 7.798 1.979 1.00 0.00 N ATOM 67 CA ALA A 8 -13.045 8.946 1.925 1.00 0.00 C ATOM 68 C ALA A 8 -12.304 10.184 2.433 1.00 0.00 C ATOM 69 O ALA A 8 -12.453 11.273 1.880 1.00 0.00 O ATOM 70 CB ALA A 8 -14.310 8.651 2.733 1.00 0.00 C ATOM 0 H ALA A 8 -12.251 7.223 2.816 1.00 0.00 H new ATOM 0 HA ALA A 8 -13.354 9.144 0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.977 9.512 2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.815 7.781 2.314 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.041 8.450 3.770 1.00 0.00 H new ATOM 76 N SER A 9 -11.520 9.977 3.481 1.00 0.00 N ATOM 77 CA SER A 9 -10.756 11.063 4.071 1.00 0.00 C ATOM 78 C SER A 9 -9.606 11.457 3.142 1.00 0.00 C ATOM 79 O SER A 9 -9.374 12.642 2.903 1.00 0.00 O ATOM 80 CB SER A 9 -10.215 10.672 5.448 1.00 0.00 C ATOM 81 OG SER A 9 -11.146 9.880 6.181 1.00 0.00 O ATOM 0 H SER A 9 -11.397 9.073 3.937 1.00 0.00 H new ATOM 0 HA SER A 9 -11.420 11.917 4.201 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.284 10.119 5.328 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.980 11.573 6.015 1.00 0.00 H new ATOM 0 HG SER A 9 -10.764 9.649 7.053 1.00 0.00 H new ATOM 87 N LEU A 10 -8.915 10.442 2.643 1.00 0.00 N ATOM 88 CA LEU A 10 -7.795 10.668 1.745 1.00 0.00 C ATOM 89 C LEU A 10 -8.191 11.706 0.693 1.00 0.00 C ATOM 90 O LEU A 10 -7.360 12.499 0.255 1.00 0.00 O ATOM 91 CB LEU A 10 -7.309 9.345 1.151 1.00 0.00 C ATOM 92 CG LEU A 10 -6.393 8.505 2.044 1.00 0.00 C ATOM 93 CD1 LEU A 10 -6.831 8.583 3.507 1.00 0.00 C ATOM 94 CD2 LEU A 10 -6.314 7.061 1.545 1.00 0.00 C ATOM 0 H LEU A 10 -9.109 9.461 2.844 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.945 11.076 2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.181 8.744 0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.781 9.559 0.222 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.387 8.920 1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.163 7.977 4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.792 9.619 3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.850 8.208 3.602 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.657 6.486 2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.310 6.619 1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.919 7.048 0.529 1.00 0.00 H new ATOM 106 N LEU A 11 -9.462 11.667 0.318 1.00 0.00 N ATOM 107 CA LEU A 11 -9.978 12.594 -0.674 1.00 0.00 C ATOM 108 C LEU A 11 -9.883 14.021 -0.131 1.00 0.00 C ATOM 109 O LEU A 11 -9.529 14.945 -0.862 1.00 0.00 O ATOM 110 CB LEU A 11 -11.392 12.191 -1.099 1.00 0.00 C ATOM 111 CG LEU A 11 -11.561 10.750 -1.586 1.00 0.00 C ATOM 112 CD1 LEU A 11 -12.947 10.210 -1.229 1.00 0.00 C ATOM 113 CD2 LEU A 11 -11.271 10.641 -3.085 1.00 0.00 C ATOM 0 H LEU A 11 -10.149 11.008 0.684 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.374 12.557 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.063 12.349 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.716 12.863 -1.894 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.830 10.127 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.041 9.185 -1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.078 10.231 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.711 10.829 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.398 9.607 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.961 11.280 -3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.247 10.959 -3.282 1.00 0.00 H new ATOM 125 N ALA A 12 -10.205 14.156 1.147 1.00 0.00 N ATOM 126 CA ALA A 12 -10.159 15.455 1.796 1.00 0.00 C ATOM 127 C ALA A 12 -8.725 15.749 2.242 1.00 0.00 C ATOM 128 O ALA A 12 -8.189 16.818 1.955 1.00 0.00 O ATOM 129 CB ALA A 12 -11.148 15.477 2.964 1.00 0.00 C ATOM 0 H ALA A 12 -10.499 13.388 1.750 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.455 16.241 1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.114 16.451 3.451 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.156 15.293 2.591 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.880 14.702 3.682 1.00 0.00 H new ATOM 135 N ARG A 13 -8.145 14.780 2.935 1.00 0.00 N ATOM 136 CA ARG A 13 -6.784 14.921 3.422 1.00 0.00 C ATOM 137 C ARG A 13 -5.842 15.280 2.271 1.00 0.00 C ATOM 138 O ARG A 13 -5.143 16.290 2.328 1.00 0.00 O ATOM 139 CB ARG A 13 -6.299 13.630 4.085 1.00 0.00 C ATOM 140 CG ARG A 13 -6.483 13.690 5.603 1.00 0.00 C ATOM 141 CD ARG A 13 -5.205 13.264 6.328 1.00 0.00 C ATOM 142 NE ARG A 13 -5.010 14.092 7.539 1.00 0.00 N ATOM 143 CZ ARG A 13 -4.020 13.910 8.422 1.00 0.00 C ATOM 144 NH1 ARG A 13 -3.128 12.927 8.235 1.00 0.00 N ATOM 145 NH2 ARG A 13 -3.921 14.709 9.493 1.00 0.00 N ATOM 0 H ARG A 13 -8.593 13.894 3.171 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.779 15.721 4.163 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.850 12.781 3.682 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.247 13.469 3.849 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.753 14.703 5.900 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.307 13.041 5.899 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.267 12.211 6.603 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.348 13.370 5.663 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.671 14.849 7.712 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.204 12.318 7.420 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.374 12.788 8.907 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.600 15.457 9.636 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.167 14.570 10.165 1.00 0.00 H new ATOM 159 N TYR A 14 -5.854 14.431 1.253 1.00 0.00 N ATOM 160 CA TYR A 14 -5.009 14.646 0.090 1.00 0.00 C ATOM 161 C TYR A 14 -5.831 15.148 -1.099 1.00 0.00 C ATOM 162 O TYR A 14 -7.026 14.874 -1.192 1.00 0.00 O ATOM 163 CB TYR A 14 -4.415 13.280 -0.257 1.00 0.00 C ATOM 164 CG TYR A 14 -3.530 12.689 0.843 1.00 0.00 C ATOM 165 CD1 TYR A 14 -4.100 11.972 1.876 1.00 0.00 C ATOM 166 CD2 TYR A 14 -2.163 12.871 0.802 1.00 0.00 C ATOM 167 CE1 TYR A 14 -3.267 11.415 2.911 1.00 0.00 C ATOM 168 CE2 TYR A 14 -1.330 12.315 1.837 1.00 0.00 C ATOM 169 CZ TYR A 14 -1.924 11.614 2.840 1.00 0.00 C ATOM 170 OH TYR A 14 -1.138 11.089 3.817 1.00 0.00 O ATOM 0 H TYR A 14 -6.435 13.594 1.210 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.244 15.393 0.303 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.228 12.585 -0.468 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.828 13.372 -1.171 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.170 11.829 1.908 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.717 13.431 -0.007 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.700 10.852 3.725 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.259 12.451 1.817 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.697 10.616 4.468 1.00 0.00 H new ATOM 180 N PRO A 15 -5.139 15.894 -2.001 1.00 0.00 N ATOM 181 CA PRO A 15 -5.792 16.438 -3.180 1.00 0.00 C ATOM 182 C PRO A 15 -6.040 15.345 -4.222 1.00 0.00 C ATOM 183 O PRO A 15 -5.558 14.223 -4.077 1.00 0.00 O ATOM 184 CB PRO A 15 -4.861 17.531 -3.677 1.00 0.00 C ATOM 185 CG PRO A 15 -3.510 17.250 -3.038 1.00 0.00 C ATOM 186 CD PRO A 15 -3.723 16.239 -1.923 1.00 0.00 C ATOM 0 HA PRO A 15 -6.780 16.843 -2.964 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.789 17.518 -4.765 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.230 18.517 -3.394 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.811 16.860 -3.778 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.076 18.169 -2.643 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.093 15.360 -2.060 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.472 16.663 -0.951 1.00 0.00 H new ATOM 194 N PRO A 16 -6.812 15.721 -5.276 1.00 0.00 N ATOM 195 CA PRO A 16 -7.130 14.786 -6.342 1.00 0.00 C ATOM 196 C PRO A 16 -5.924 14.567 -7.258 1.00 0.00 C ATOM 197 O PRO A 16 -5.804 13.521 -7.893 1.00 0.00 O ATOM 198 CB PRO A 16 -8.320 15.399 -7.062 1.00 0.00 C ATOM 199 CG PRO A 16 -8.331 16.868 -6.671 1.00 0.00 C ATOM 200 CD PRO A 16 -7.400 17.041 -5.482 1.00 0.00 C ATOM 0 HA PRO A 16 -7.377 13.792 -5.969 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.226 15.283 -8.142 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.249 14.910 -6.769 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.003 17.488 -7.506 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.341 17.187 -6.414 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.633 17.789 -5.685 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.944 17.374 -4.598 1.00 0.00 H new ATOM 208 N GLU A 17 -5.062 15.573 -7.297 1.00 0.00 N ATOM 209 CA GLU A 17 -3.869 15.504 -8.125 1.00 0.00 C ATOM 210 C GLU A 17 -2.801 14.643 -7.447 1.00 0.00 C ATOM 211 O GLU A 17 -1.737 14.405 -8.016 1.00 0.00 O ATOM 212 CB GLU A 17 -3.333 16.904 -8.431 1.00 0.00 C ATOM 213 CG GLU A 17 -2.798 17.575 -7.164 1.00 0.00 C ATOM 214 CD GLU A 17 -2.998 19.091 -7.221 1.00 0.00 C ATOM 215 OE1 GLU A 17 -4.143 19.522 -6.964 1.00 0.00 O ATOM 216 OE2 GLU A 17 -2.002 19.784 -7.520 1.00 0.00 O ATOM 0 H GLU A 17 -5.166 16.440 -6.769 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.135 15.037 -9.074 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.539 16.839 -9.175 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.126 17.515 -8.863 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.308 17.170 -6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.738 17.348 -7.048 1.00 0.00 H new ATOM 223 N LYS A 18 -3.122 14.200 -6.240 1.00 0.00 N ATOM 224 CA LYS A 18 -2.204 13.371 -5.478 1.00 0.00 C ATOM 225 C LYS A 18 -2.935 12.116 -4.998 1.00 0.00 C ATOM 226 O LYS A 18 -2.378 11.320 -4.243 1.00 0.00 O ATOM 227 CB LYS A 18 -1.563 14.180 -4.349 1.00 0.00 C ATOM 228 CG LYS A 18 -0.971 15.488 -4.878 1.00 0.00 C ATOM 229 CD LYS A 18 -0.245 16.250 -3.767 1.00 0.00 C ATOM 230 CE LYS A 18 0.563 17.416 -4.340 1.00 0.00 C ATOM 231 NZ LYS A 18 0.597 18.543 -3.382 1.00 0.00 N ATOM 0 H LYS A 18 -4.005 14.400 -5.771 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.379 13.038 -6.108 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.309 14.397 -3.584 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.781 13.589 -3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.277 15.275 -5.691 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.765 16.110 -5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.970 16.625 -3.045 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.418 15.572 -3.230 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.579 17.088 -4.561 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.122 17.744 -5.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.149 19.326 -3.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.373 18.866 -3.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.039 18.230 -2.494 1.00 0.00 H new ATOM 245 N LEU A 19 -4.170 11.978 -5.456 1.00 0.00 N ATOM 246 CA LEU A 19 -4.983 10.833 -5.083 1.00 0.00 C ATOM 247 C LEU A 19 -4.717 9.684 -6.058 1.00 0.00 C ATOM 248 O LEU A 19 -5.089 9.759 -7.228 1.00 0.00 O ATOM 249 CB LEU A 19 -6.458 11.230 -4.989 1.00 0.00 C ATOM 250 CG LEU A 19 -6.949 11.664 -3.606 1.00 0.00 C ATOM 251 CD1 LEU A 19 -8.279 12.413 -3.706 1.00 0.00 C ATOM 252 CD2 LEU A 19 -7.034 10.468 -2.655 1.00 0.00 C ATOM 0 H LEU A 19 -4.628 12.640 -6.082 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.708 10.479 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.640 12.045 -5.689 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.063 10.385 -5.319 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.220 12.358 -3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.605 12.710 -2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.151 13.301 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.030 11.763 -4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.385 10.803 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.729 9.732 -3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.048 10.016 -2.550 1.00 0.00 H new ATOM 264 N PHE A 20 -4.075 8.648 -5.540 1.00 0.00 N ATOM 265 CA PHE A 20 -3.754 7.485 -6.350 1.00 0.00 C ATOM 266 C PHE A 20 -4.156 6.192 -5.637 1.00 0.00 C ATOM 267 O PHE A 20 -4.019 6.082 -4.419 1.00 0.00 O ATOM 268 CB PHE A 20 -2.238 7.488 -6.558 1.00 0.00 C ATOM 269 CG PHE A 20 -1.757 8.488 -7.612 1.00 0.00 C ATOM 270 CD1 PHE A 20 -1.472 9.768 -7.255 1.00 0.00 C ATOM 271 CD2 PHE A 20 -1.615 8.095 -8.906 1.00 0.00 C ATOM 272 CE1 PHE A 20 -1.025 10.696 -8.233 1.00 0.00 C ATOM 273 CE2 PHE A 20 -1.169 9.022 -9.885 1.00 0.00 C ATOM 274 CZ PHE A 20 -0.883 10.303 -9.527 1.00 0.00 C ATOM 0 H PHE A 20 -3.768 8.589 -4.569 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.294 7.530 -7.296 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.752 7.714 -5.609 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.919 6.487 -6.849 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.585 10.080 -6.227 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.841 7.078 -9.189 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.798 11.713 -7.949 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.057 8.710 -10.913 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.543 11.008 -10.271 1.00 0.00 H new ATOM 284 N GLN A 21 -4.644 5.246 -6.426 1.00 0.00 N ATOM 285 CA GLN A 21 -5.067 3.965 -5.885 1.00 0.00 C ATOM 286 C GLN A 21 -4.051 2.878 -6.241 1.00 0.00 C ATOM 287 O GLN A 21 -3.153 3.103 -7.051 1.00 0.00 O ATOM 288 CB GLN A 21 -6.465 3.594 -6.384 1.00 0.00 C ATOM 289 CG GLN A 21 -7.233 2.803 -5.324 1.00 0.00 C ATOM 290 CD GLN A 21 -8.744 2.930 -5.532 1.00 0.00 C ATOM 291 OE1 GLN A 21 -9.253 2.848 -6.637 1.00 0.00 O ATOM 292 NE2 GLN A 21 -9.429 3.135 -4.410 1.00 0.00 N ATOM 0 H GLN A 21 -4.756 5.341 -7.435 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.115 4.049 -4.799 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.017 4.499 -6.638 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.384 3.003 -7.296 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.943 1.753 -5.368 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.967 3.166 -4.331 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.939 3.193 -3.517 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.444 3.234 -4.443 1.00 0.00 H new ATOM 301 N ALA A 22 -4.227 1.722 -5.617 1.00 0.00 N ATOM 302 CA ALA A 22 -3.337 0.599 -5.858 1.00 0.00 C ATOM 303 C ALA A 22 -3.799 -0.154 -7.107 1.00 0.00 C ATOM 304 O ALA A 22 -4.830 -0.824 -7.086 1.00 0.00 O ATOM 305 CB ALA A 22 -3.299 -0.297 -4.618 1.00 0.00 C ATOM 0 H ALA A 22 -4.972 1.539 -4.945 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.320 0.947 -6.041 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.631 -1.140 -4.798 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.937 0.277 -3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.302 -0.668 -4.406 1.00 0.00 H new ATOM 311 N GLU A 23 -3.013 -0.019 -8.165 1.00 0.00 N ATOM 312 CA GLU A 23 -3.328 -0.678 -9.421 1.00 0.00 C ATOM 313 C GLU A 23 -3.671 -2.149 -9.177 1.00 0.00 C ATOM 314 O GLU A 23 -4.651 -2.660 -9.718 1.00 0.00 O ATOM 315 CB GLU A 23 -2.174 -0.542 -10.416 1.00 0.00 C ATOM 316 CG GLU A 23 -2.160 0.849 -11.052 1.00 0.00 C ATOM 317 CD GLU A 23 -2.840 0.833 -12.423 1.00 0.00 C ATOM 318 OE1 GLU A 23 -4.090 0.820 -12.436 1.00 0.00 O ATOM 319 OE2 GLU A 23 -2.095 0.833 -13.427 1.00 0.00 O ATOM 0 H GLU A 23 -2.158 0.537 -8.178 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.199 -0.189 -9.857 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.227 -0.723 -9.907 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.268 -1.300 -11.193 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.669 1.557 -10.398 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.132 1.195 -11.156 1.00 0.00 H new ATOM 326 N ARG A 24 -2.846 -2.788 -8.361 1.00 0.00 N ATOM 327 CA ARG A 24 -3.050 -4.190 -8.038 1.00 0.00 C ATOM 328 C ARG A 24 -2.608 -4.474 -6.601 1.00 0.00 C ATOM 329 O ARG A 24 -2.039 -3.607 -5.940 1.00 0.00 O ATOM 330 CB ARG A 24 -2.268 -5.094 -8.993 1.00 0.00 C ATOM 331 CG ARG A 24 -0.857 -4.552 -9.229 1.00 0.00 C ATOM 332 CD ARG A 24 0.085 -5.662 -9.700 1.00 0.00 C ATOM 333 NE ARG A 24 1.021 -5.133 -10.717 1.00 0.00 N ATOM 334 CZ ARG A 24 0.686 -4.886 -11.991 1.00 0.00 C ATOM 335 NH1 ARG A 24 -0.565 -5.118 -12.411 1.00 0.00 N ATOM 336 NH2 ARG A 24 1.601 -4.407 -12.844 1.00 0.00 N ATOM 0 H ARG A 24 -2.035 -2.361 -7.914 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.114 -4.403 -8.143 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.210 -6.101 -8.580 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.796 -5.169 -9.943 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.889 -3.757 -9.974 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.474 -4.111 -8.308 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.643 -6.061 -8.853 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.492 -6.487 -10.119 1.00 0.00 H new ATOM 0 HE ARG A 24 1.982 -4.945 -10.430 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.262 -5.482 -11.761 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.821 -4.930 -13.380 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.553 -4.230 -12.524 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.346 -4.219 -13.813 1.00 0.00 H new ATOM 350 N ASN A 25 -2.887 -5.692 -6.160 1.00 0.00 N ATOM 351 CA ASN A 25 -2.525 -6.101 -4.813 1.00 0.00 C ATOM 352 C ASN A 25 -1.005 -6.034 -4.656 1.00 0.00 C ATOM 353 O ASN A 25 -0.302 -6.994 -4.970 1.00 0.00 O ATOM 354 CB ASN A 25 -2.967 -7.540 -4.537 1.00 0.00 C ATOM 355 CG ASN A 25 -4.230 -7.570 -3.674 1.00 0.00 C ATOM 356 OD1 ASN A 25 -4.299 -8.233 -2.653 1.00 0.00 O ATOM 357 ND2 ASN A 25 -5.221 -6.816 -4.140 1.00 0.00 N ATOM 0 H ASN A 25 -3.359 -6.409 -6.711 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.022 -5.431 -4.112 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.154 -8.054 -5.480 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.165 -8.080 -4.033 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.106 -6.768 -3.635 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.096 -6.285 -5.002 1.00 0.00 H new ATOM 364 N PHE A 26 -0.542 -4.892 -4.170 1.00 0.00 N ATOM 365 CA PHE A 26 0.883 -4.688 -3.967 1.00 0.00 C ATOM 366 C PHE A 26 1.367 -5.413 -2.710 1.00 0.00 C ATOM 367 O PHE A 26 0.668 -5.442 -1.697 1.00 0.00 O ATOM 368 CB PHE A 26 1.098 -3.184 -3.788 1.00 0.00 C ATOM 369 CG PHE A 26 2.555 -2.789 -3.541 1.00 0.00 C ATOM 370 CD1 PHE A 26 3.104 -2.950 -2.307 1.00 0.00 C ATOM 371 CD2 PHE A 26 3.302 -2.276 -4.556 1.00 0.00 C ATOM 372 CE1 PHE A 26 4.456 -2.583 -2.078 1.00 0.00 C ATOM 373 CE2 PHE A 26 4.655 -1.909 -4.326 1.00 0.00 C ATOM 374 CZ PHE A 26 5.203 -2.071 -3.092 1.00 0.00 C ATOM 0 H PHE A 26 -1.128 -4.098 -3.911 1.00 0.00 H new ATOM 0 HA PHE A 26 1.440 -5.081 -4.818 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.738 -2.667 -4.678 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.491 -2.838 -2.951 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.511 -3.357 -1.501 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.867 -2.148 -5.536 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.891 -2.711 -1.098 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.248 -1.501 -5.131 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.232 -1.793 -2.917 1.00 0.00 H new ATOM 384 N ASN A 27 2.559 -5.981 -2.815 1.00 0.00 N ATOM 385 CA ASN A 27 3.145 -6.705 -1.699 1.00 0.00 C ATOM 386 C ASN A 27 4.441 -6.013 -1.273 1.00 0.00 C ATOM 387 O ASN A 27 5.312 -5.754 -2.102 1.00 0.00 O ATOM 388 CB ASN A 27 3.484 -8.144 -2.093 1.00 0.00 C ATOM 389 CG ASN A 27 2.959 -9.135 -1.052 1.00 0.00 C ATOM 390 OD1 ASN A 27 3.469 -9.245 0.051 1.00 0.00 O ATOM 391 ND2 ASN A 27 1.913 -9.847 -1.462 1.00 0.00 N ATOM 0 H ASN A 27 3.136 -5.955 -3.656 1.00 0.00 H new ATOM 0 HA ASN A 27 2.420 -6.716 -0.885 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.050 -8.370 -3.067 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.564 -8.253 -2.192 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.489 -10.535 -0.840 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.535 -9.705 -2.399 1.00 0.00 H new ATOM 398 N ALA A 28 4.529 -5.734 0.019 1.00 0.00 N ATOM 399 CA ALA A 28 5.704 -5.078 0.565 1.00 0.00 C ATOM 400 C ALA A 28 6.959 -5.826 0.110 1.00 0.00 C ATOM 401 O ALA A 28 7.049 -7.043 0.261 1.00 0.00 O ATOM 402 CB ALA A 28 5.588 -5.008 2.089 1.00 0.00 C ATOM 0 H ALA A 28 3.805 -5.951 0.704 1.00 0.00 H new ATOM 0 HA ALA A 28 5.778 -4.055 0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.470 -4.516 2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.697 -4.442 2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.514 -6.017 2.495 1.00 0.00 H new ATOM 408 N ALA A 29 7.895 -5.066 -0.440 1.00 0.00 N ATOM 409 CA ALA A 29 9.140 -5.642 -0.919 1.00 0.00 C ATOM 410 C ALA A 29 10.274 -5.258 0.033 1.00 0.00 C ATOM 411 O ALA A 29 11.070 -6.107 0.432 1.00 0.00 O ATOM 412 CB ALA A 29 9.400 -5.176 -2.353 1.00 0.00 C ATOM 0 H ALA A 29 7.816 -4.057 -0.564 1.00 0.00 H new ATOM 0 HA ALA A 29 9.078 -6.730 -0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.334 -5.608 -2.712 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.580 -5.499 -2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.471 -4.089 -2.375 1.00 0.00 H new ATOM 418 N GLN A 30 10.312 -3.977 0.371 1.00 0.00 N ATOM 419 CA GLN A 30 11.336 -3.470 1.269 1.00 0.00 C ATOM 420 C GLN A 30 10.713 -3.057 2.604 1.00 0.00 C ATOM 421 O GLN A 30 9.520 -3.258 2.825 1.00 0.00 O ATOM 422 CB GLN A 30 12.094 -2.303 0.633 1.00 0.00 C ATOM 423 CG GLN A 30 11.129 -1.325 -0.041 1.00 0.00 C ATOM 424 CD GLN A 30 11.853 -0.045 -0.464 1.00 0.00 C ATOM 425 OE1 GLN A 30 12.918 0.288 0.029 1.00 0.00 O ATOM 426 NE2 GLN A 30 11.218 0.650 -1.404 1.00 0.00 N ATOM 0 H GLN A 30 9.650 -3.275 0.039 1.00 0.00 H new ATOM 0 HA GLN A 30 12.055 -4.268 1.457 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.672 -1.781 1.396 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.804 -2.683 -0.101 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.677 -1.797 -0.914 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.318 -1.079 0.644 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.329 0.314 -1.774 1.00 0.00 H new ATOM 0 HE22 GLN A 30 11.620 1.519 -1.755 1.00 0.00 H new ATOM 435 N ASP A 31 11.549 -2.487 3.459 1.00 0.00 N ATOM 436 CA ASP A 31 11.095 -2.044 4.767 1.00 0.00 C ATOM 437 C ASP A 31 10.336 -0.724 4.618 1.00 0.00 C ATOM 438 O ASP A 31 9.612 -0.314 5.524 1.00 0.00 O ATOM 439 CB ASP A 31 12.278 -1.805 5.708 1.00 0.00 C ATOM 440 CG ASP A 31 11.925 -1.782 7.197 1.00 0.00 C ATOM 441 OD1 ASP A 31 10.823 -2.272 7.526 1.00 0.00 O ATOM 442 OD2 ASP A 31 12.764 -1.275 7.971 1.00 0.00 O ATOM 0 H ASP A 31 12.538 -2.322 3.272 1.00 0.00 H new ATOM 0 HA ASP A 31 10.454 -2.821 5.183 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.021 -2.584 5.538 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.745 -0.856 5.446 1.00 0.00 H new ATOM 447 N LEU A 32 10.526 -0.095 3.467 1.00 0.00 N ATOM 448 CA LEU A 32 9.867 1.170 3.188 1.00 0.00 C ATOM 449 C LEU A 32 8.550 0.904 2.457 1.00 0.00 C ATOM 450 O LEU A 32 7.742 1.813 2.276 1.00 0.00 O ATOM 451 CB LEU A 32 10.810 2.110 2.434 1.00 0.00 C ATOM 452 CG LEU A 32 12.079 2.528 3.180 1.00 0.00 C ATOM 453 CD1 LEU A 32 12.950 3.439 2.313 1.00 0.00 C ATOM 454 CD2 LEU A 32 11.737 3.171 4.525 1.00 0.00 C ATOM 0 H LEU A 32 11.127 -0.438 2.717 1.00 0.00 H new ATOM 0 HA LEU A 32 9.618 1.683 4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.103 1.627 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.256 3.010 2.167 1.00 0.00 H new ATOM 0 HG LEU A 32 12.662 1.632 3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.845 3.721 2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.237 2.910 1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.389 4.335 2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.656 3.459 5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.122 4.055 4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.189 2.458 5.140 1.00 0.00 H new ATOM 466 N ASP A 33 8.375 -0.347 2.057 1.00 0.00 N ATOM 467 CA ASP A 33 7.169 -0.744 1.350 1.00 0.00 C ATOM 468 C ASP A 33 6.161 -1.315 2.349 1.00 0.00 C ATOM 469 O ASP A 33 6.546 -1.843 3.391 1.00 0.00 O ATOM 470 CB ASP A 33 7.471 -1.828 0.312 1.00 0.00 C ATOM 471 CG ASP A 33 8.312 -1.366 -0.879 1.00 0.00 C ATOM 472 OD1 ASP A 33 8.807 -0.220 -0.815 1.00 0.00 O ATOM 473 OD2 ASP A 33 8.440 -2.169 -1.828 1.00 0.00 O ATOM 0 H ASP A 33 9.048 -1.099 2.209 1.00 0.00 H new ATOM 0 HA ASP A 33 6.768 0.136 0.847 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.989 -2.649 0.807 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.527 -2.226 -0.061 1.00 0.00 H new ATOM 478 N VAL A 34 4.890 -1.188 1.997 1.00 0.00 N ATOM 479 CA VAL A 34 3.824 -1.684 2.850 1.00 0.00 C ATOM 480 C VAL A 34 2.732 -2.312 1.982 1.00 0.00 C ATOM 481 O VAL A 34 2.338 -1.742 0.966 1.00 0.00 O ATOM 482 CB VAL A 34 3.303 -0.558 3.745 1.00 0.00 C ATOM 483 CG1 VAL A 34 4.434 0.390 4.148 1.00 0.00 C ATOM 484 CG2 VAL A 34 2.166 0.205 3.061 1.00 0.00 C ATOM 0 H VAL A 34 4.575 -0.749 1.132 1.00 0.00 H new ATOM 0 HA VAL A 34 4.198 -2.463 3.515 1.00 0.00 H new ATOM 0 HB VAL A 34 2.905 -1.010 4.653 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.036 1.181 4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.197 -0.165 4.694 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.875 0.830 3.254 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.814 1.000 3.719 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.528 0.639 2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.345 -0.480 2.848 1.00 0.00 H new ATOM 494 N SER A 35 2.274 -3.478 2.414 1.00 0.00 N ATOM 495 CA SER A 35 1.235 -4.189 1.689 1.00 0.00 C ATOM 496 C SER A 35 0.056 -3.253 1.411 1.00 0.00 C ATOM 497 O SER A 35 -0.370 -2.508 2.292 1.00 0.00 O ATOM 498 CB SER A 35 0.764 -5.419 2.466 1.00 0.00 C ATOM 499 OG SER A 35 0.113 -5.065 3.683 1.00 0.00 O ATOM 0 H SER A 35 2.604 -3.948 3.257 1.00 0.00 H new ATOM 0 HA SER A 35 1.652 -4.529 0.741 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.082 -6.000 1.846 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.619 -6.059 2.685 1.00 0.00 H new ATOM 0 HG SER A 35 -0.174 -5.878 4.149 1.00 0.00 H new ATOM 505 N LEU A 36 -0.437 -3.323 0.183 1.00 0.00 N ATOM 506 CA LEU A 36 -1.558 -2.492 -0.221 1.00 0.00 C ATOM 507 C LEU A 36 -2.539 -3.330 -1.043 1.00 0.00 C ATOM 508 O LEU A 36 -2.136 -4.273 -1.723 1.00 0.00 O ATOM 509 CB LEU A 36 -1.062 -1.239 -0.946 1.00 0.00 C ATOM 510 CG LEU A 36 -0.355 -0.197 -0.077 1.00 0.00 C ATOM 511 CD1 LEU A 36 0.150 0.973 -0.925 1.00 0.00 C ATOM 512 CD2 LEU A 36 -1.261 0.271 1.063 1.00 0.00 C ATOM 0 H LEU A 36 -0.081 -3.942 -0.545 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.100 -2.133 0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.378 -1.548 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.914 -0.762 -1.430 1.00 0.00 H new ATOM 0 HG LEU A 36 0.518 -0.666 0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.648 1.699 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.854 0.604 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.693 1.450 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.735 1.011 1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.166 0.717 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.529 -0.581 1.688 1.00 0.00 H new ATOM 524 N LEU A 37 -3.807 -2.956 -0.954 1.00 0.00 N ATOM 525 CA LEU A 37 -4.848 -3.662 -1.681 1.00 0.00 C ATOM 526 C LEU A 37 -5.175 -2.898 -2.965 1.00 0.00 C ATOM 527 O LEU A 37 -5.265 -1.671 -2.956 1.00 0.00 O ATOM 528 CB LEU A 37 -6.062 -3.901 -0.781 1.00 0.00 C ATOM 529 CG LEU A 37 -5.871 -4.916 0.347 1.00 0.00 C ATOM 530 CD1 LEU A 37 -5.904 -6.348 -0.192 1.00 0.00 C ATOM 531 CD2 LEU A 37 -4.590 -4.628 1.133 1.00 0.00 C ATOM 0 H LEU A 37 -4.137 -2.173 -0.389 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.501 -4.652 -1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.355 -2.948 -0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.892 -4.233 -1.405 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.704 -4.815 1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.766 -7.050 0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.865 -6.535 -0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.104 -6.481 -0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.478 -5.364 1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.732 -4.684 0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.646 -3.630 1.567 1.00 0.00 H new ATOM 543 N GLU A 38 -5.344 -3.654 -4.040 1.00 0.00 N ATOM 544 CA GLU A 38 -5.659 -3.063 -5.329 1.00 0.00 C ATOM 545 C GLU A 38 -6.786 -2.040 -5.183 1.00 0.00 C ATOM 546 O GLU A 38 -6.940 -1.155 -6.024 1.00 0.00 O ATOM 547 CB GLU A 38 -6.027 -4.141 -6.351 1.00 0.00 C ATOM 548 CG GLU A 38 -7.189 -4.999 -5.849 1.00 0.00 C ATOM 549 CD GLU A 38 -7.610 -6.025 -6.904 1.00 0.00 C ATOM 550 OE1 GLU A 38 -6.713 -6.762 -7.368 1.00 0.00 O ATOM 551 OE2 GLU A 38 -8.818 -6.048 -7.222 1.00 0.00 O ATOM 0 H GLU A 38 -5.269 -4.671 -4.044 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.772 -2.547 -5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.298 -3.673 -7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.161 -4.774 -6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.897 -5.513 -4.933 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.036 -4.360 -5.600 1.00 0.00 H new ATOM 558 N GLY A 39 -7.547 -2.194 -4.108 1.00 0.00 N ATOM 559 CA GLY A 39 -8.655 -1.293 -3.841 1.00 0.00 C ATOM 560 C GLY A 39 -8.237 -0.180 -2.879 1.00 0.00 C ATOM 561 O GLY A 39 -8.809 0.909 -2.898 1.00 0.00 O ATOM 0 H GLY A 39 -7.418 -2.929 -3.413 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.007 -0.857 -4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.489 -1.852 -3.416 1.00 0.00 H new ATOM 565 N ASP A 40 -7.242 -0.490 -2.061 1.00 0.00 N ATOM 566 CA ASP A 40 -6.741 0.471 -1.093 1.00 0.00 C ATOM 567 C ASP A 40 -6.390 1.775 -1.812 1.00 0.00 C ATOM 568 O ASP A 40 -5.826 1.753 -2.905 1.00 0.00 O ATOM 569 CB ASP A 40 -5.475 -0.047 -0.407 1.00 0.00 C ATOM 570 CG ASP A 40 -5.719 -0.959 0.797 1.00 0.00 C ATOM 571 OD1 ASP A 40 -6.909 -1.224 1.076 1.00 0.00 O ATOM 572 OD2 ASP A 40 -4.711 -1.370 1.411 1.00 0.00 O ATOM 0 H ASP A 40 -6.769 -1.394 -2.049 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.516 0.632 -0.344 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.879 -0.590 -1.140 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.880 0.807 -0.082 1.00 0.00 H new ATOM 577 N LEU A 41 -6.737 2.880 -1.168 1.00 0.00 N ATOM 578 CA LEU A 41 -6.466 4.191 -1.732 1.00 0.00 C ATOM 579 C LEU A 41 -5.317 4.845 -0.962 1.00 0.00 C ATOM 580 O LEU A 41 -5.104 4.548 0.213 1.00 0.00 O ATOM 581 CB LEU A 41 -7.742 5.035 -1.767 1.00 0.00 C ATOM 582 CG LEU A 41 -7.731 6.228 -2.724 1.00 0.00 C ATOM 583 CD1 LEU A 41 -6.986 7.416 -2.113 1.00 0.00 C ATOM 584 CD2 LEU A 41 -7.159 5.832 -4.087 1.00 0.00 C ATOM 0 H LEU A 41 -7.203 2.894 -0.261 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.144 4.100 -2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.576 4.386 -2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.937 5.404 -0.760 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.761 6.544 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.994 8.250 -2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.477 7.716 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.956 7.130 -1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.162 6.698 -4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.137 5.474 -3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.770 5.041 -4.522 1.00 0.00 H new ATOM 596 N VAL A 42 -4.607 5.724 -1.654 1.00 0.00 N ATOM 597 CA VAL A 42 -3.485 6.422 -1.049 1.00 0.00 C ATOM 598 C VAL A 42 -3.336 7.798 -1.701 1.00 0.00 C ATOM 599 O VAL A 42 -3.854 8.032 -2.791 1.00 0.00 O ATOM 600 CB VAL A 42 -2.219 5.570 -1.156 1.00 0.00 C ATOM 601 CG1 VAL A 42 -2.446 4.175 -0.569 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.737 5.482 -2.606 1.00 0.00 C ATOM 0 H VAL A 42 -4.787 5.969 -2.628 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.663 6.583 0.014 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.438 6.057 -0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.531 3.590 -0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.720 4.263 0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.249 3.678 -1.113 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.836 4.871 -2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.515 5.030 -3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.517 6.483 -2.977 1.00 0.00 H new ATOM 612 N GLY A 43 -2.624 8.673 -1.005 1.00 0.00 N ATOM 613 CA GLY A 43 -2.400 10.020 -1.502 1.00 0.00 C ATOM 614 C GLY A 43 -0.905 10.315 -1.631 1.00 0.00 C ATOM 615 O GLY A 43 -0.229 10.563 -0.633 1.00 0.00 O ATOM 0 H GLY A 43 -2.195 8.475 -0.101 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.883 10.138 -2.472 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.860 10.742 -0.827 1.00 0.00 H new ATOM 619 N VAL A 44 -0.432 10.279 -2.868 1.00 0.00 N ATOM 620 CA VAL A 44 0.972 10.539 -3.140 1.00 0.00 C ATOM 621 C VAL A 44 1.469 11.651 -2.215 1.00 0.00 C ATOM 622 O VAL A 44 0.815 12.684 -2.073 1.00 0.00 O ATOM 623 CB VAL A 44 1.166 10.864 -4.623 1.00 0.00 C ATOM 624 CG1 VAL A 44 2.448 11.668 -4.845 1.00 0.00 C ATOM 625 CG2 VAL A 44 1.165 9.588 -5.468 1.00 0.00 C ATOM 0 H VAL A 44 -0.996 10.074 -3.693 1.00 0.00 H new ATOM 0 HA VAL A 44 1.571 9.652 -2.934 1.00 0.00 H new ATOM 0 HB VAL A 44 0.326 11.479 -4.944 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.562 11.886 -5.907 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.392 12.603 -4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.305 11.090 -4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.304 9.847 -6.518 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.976 8.936 -5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.213 9.071 -5.345 1.00 0.00 H new ATOM 635 N ILE A 45 2.620 11.403 -1.609 1.00 0.00 N ATOM 636 CA ILE A 45 3.212 12.371 -0.701 1.00 0.00 C ATOM 637 C ILE A 45 4.538 12.865 -1.283 1.00 0.00 C ATOM 638 O ILE A 45 4.727 14.065 -1.474 1.00 0.00 O ATOM 639 CB ILE A 45 3.340 11.779 0.704 1.00 0.00 C ATOM 640 CG1 ILE A 45 2.004 11.839 1.448 1.00 0.00 C ATOM 641 CG2 ILE A 45 4.463 12.462 1.487 1.00 0.00 C ATOM 642 CD1 ILE A 45 2.110 11.170 2.820 1.00 0.00 C ATOM 0 H ILE A 45 3.159 10.545 -1.729 1.00 0.00 H new ATOM 0 HA ILE A 45 2.565 13.242 -0.597 1.00 0.00 H new ATOM 0 HB ILE A 45 3.608 10.727 0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.697 12.878 1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.232 11.345 0.857 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.532 12.022 2.482 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.408 12.324 0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.249 13.527 1.575 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.147 11.227 3.328 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.393 10.125 2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.865 11.681 3.417 1.00 0.00 H new ATOM 654 N LYS A 46 5.422 11.914 -1.548 1.00 0.00 N ATOM 655 CA LYS A 46 6.725 12.238 -2.104 1.00 0.00 C ATOM 656 C LYS A 46 6.889 11.532 -3.451 1.00 0.00 C ATOM 657 O LYS A 46 6.362 10.439 -3.652 1.00 0.00 O ATOM 658 CB LYS A 46 7.832 11.912 -1.100 1.00 0.00 C ATOM 659 CG LYS A 46 8.463 13.191 -0.545 1.00 0.00 C ATOM 660 CD LYS A 46 9.411 12.876 0.614 1.00 0.00 C ATOM 661 CE LYS A 46 8.691 12.992 1.959 1.00 0.00 C ATOM 662 NZ LYS A 46 9.013 14.282 2.610 1.00 0.00 N ATOM 0 H LYS A 46 5.262 10.919 -1.388 1.00 0.00 H new ATOM 0 HA LYS A 46 6.803 13.309 -2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.423 11.319 -0.282 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.598 11.304 -1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.009 13.705 -1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.680 13.869 -0.205 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.811 11.869 0.498 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.259 13.561 0.591 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.614 12.912 1.810 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.985 12.167 2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.516 14.344 3.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.039 14.344 2.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.710 15.065 1.997 1.00 0.00 H new ATOM 676 N LYS A 47 7.622 12.186 -4.340 1.00 0.00 N ATOM 677 CA LYS A 47 7.863 11.634 -5.663 1.00 0.00 C ATOM 678 C LYS A 47 9.297 11.107 -5.738 1.00 0.00 C ATOM 679 O LYS A 47 9.834 10.913 -6.828 1.00 0.00 O ATOM 680 CB LYS A 47 7.529 12.666 -6.743 1.00 0.00 C ATOM 681 CG LYS A 47 6.030 12.969 -6.767 1.00 0.00 C ATOM 682 CD LYS A 47 5.440 12.709 -8.154 1.00 0.00 C ATOM 683 CE LYS A 47 3.937 12.994 -8.174 1.00 0.00 C ATOM 684 NZ LYS A 47 3.645 14.176 -9.016 1.00 0.00 N ATOM 0 H LYS A 47 8.057 13.093 -4.170 1.00 0.00 H new ATOM 0 HA LYS A 47 7.202 10.787 -5.849 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.086 13.584 -6.558 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.844 12.293 -7.717 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.519 12.351 -6.029 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.861 14.008 -6.485 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.942 13.337 -8.890 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.621 11.673 -8.442 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.401 12.126 -8.557 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.580 13.166 -7.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.621 14.356 -9.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.141 15.006 -8.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.968 13.998 -9.988 1.00 0.00 H new ATOM 698 N LYS A 48 9.876 10.891 -4.566 1.00 0.00 N ATOM 699 CA LYS A 48 11.238 10.390 -4.486 1.00 0.00 C ATOM 700 C LYS A 48 11.492 9.839 -3.081 1.00 0.00 C ATOM 701 O LYS A 48 10.607 9.874 -2.228 1.00 0.00 O ATOM 702 CB LYS A 48 12.233 11.472 -4.910 1.00 0.00 C ATOM 703 CG LYS A 48 12.437 12.499 -3.794 1.00 0.00 C ATOM 704 CD LYS A 48 13.917 12.625 -3.429 1.00 0.00 C ATOM 705 CE LYS A 48 14.087 13.199 -2.020 1.00 0.00 C ATOM 706 NZ LYS A 48 14.556 14.601 -2.085 1.00 0.00 N ATOM 0 H LYS A 48 9.427 11.054 -3.665 1.00 0.00 H new ATOM 0 HA LYS A 48 11.382 9.565 -5.184 1.00 0.00 H new ATOM 0 HB2 LYS A 48 13.188 11.013 -5.165 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.870 11.973 -5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.053 13.468 -4.112 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.866 12.204 -2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.394 11.647 -3.487 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.420 13.268 -4.151 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.139 13.151 -1.484 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.801 12.596 -1.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.666 14.975 -1.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.471 14.638 -2.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.861 15.176 -2.602 1.00 0.00 H new ATOM 720 N ASP A 49 12.704 9.343 -2.885 1.00 0.00 N ATOM 721 CA ASP A 49 13.086 8.784 -1.599 1.00 0.00 C ATOM 722 C ASP A 49 14.265 9.578 -1.033 1.00 0.00 C ATOM 723 O ASP A 49 14.898 10.352 -1.749 1.00 0.00 O ATOM 724 CB ASP A 49 13.522 7.325 -1.740 1.00 0.00 C ATOM 725 CG ASP A 49 15.024 7.115 -1.941 1.00 0.00 C ATOM 726 OD1 ASP A 49 15.627 7.961 -2.636 1.00 0.00 O ATOM 727 OD2 ASP A 49 15.536 6.114 -1.395 1.00 0.00 O ATOM 0 H ASP A 49 13.435 9.316 -3.596 1.00 0.00 H new ATOM 0 HA ASP A 49 12.222 8.839 -0.937 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.211 6.781 -0.848 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.993 6.883 -2.584 1.00 0.00 H new ATOM 732 N PRO A 50 14.531 9.353 0.281 1.00 0.00 N ATOM 733 CA PRO A 50 15.623 10.038 0.952 1.00 0.00 C ATOM 734 C PRO A 50 16.974 9.448 0.542 1.00 0.00 C ATOM 735 O PRO A 50 17.712 8.935 1.381 1.00 0.00 O ATOM 736 CB PRO A 50 15.333 9.882 2.436 1.00 0.00 C ATOM 737 CG PRO A 50 14.351 8.727 2.550 1.00 0.00 C ATOM 738 CD PRO A 50 13.802 8.443 1.161 1.00 0.00 C ATOM 0 HA PRO A 50 15.688 11.092 0.681 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.247 9.674 2.993 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.909 10.797 2.849 1.00 0.00 H new ATOM 0 HG2 PRO A 50 14.846 7.843 2.953 1.00 0.00 H new ATOM 0 HG3 PRO A 50 13.542 8.980 3.236 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.963 7.403 0.877 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.728 8.623 1.115 1.00 0.00 H new ATOM 746 N MET A 51 17.257 9.542 -0.749 1.00 0.00 N ATOM 747 CA MET A 51 18.506 9.024 -1.281 1.00 0.00 C ATOM 748 C MET A 51 18.711 9.469 -2.731 1.00 0.00 C ATOM 749 O MET A 51 19.792 9.929 -3.096 1.00 0.00 O ATOM 750 CB MET A 51 18.496 7.496 -1.212 1.00 0.00 C ATOM 751 CG MET A 51 19.039 7.004 0.131 1.00 0.00 C ATOM 752 SD MET A 51 20.243 5.712 -0.132 1.00 0.00 S ATOM 753 CE MET A 51 19.369 4.326 0.576 1.00 0.00 C ATOM 0 H MET A 51 16.643 9.969 -1.442 1.00 0.00 H new ATOM 0 HA MET A 51 19.326 9.418 -0.681 1.00 0.00 H new ATOM 0 HB2 MET A 51 17.480 7.129 -1.354 1.00 0.00 H new ATOM 0 HB3 MET A 51 19.099 7.088 -2.023 1.00 0.00 H new ATOM 0 HG2 MET A 51 19.495 7.832 0.673 1.00 0.00 H new ATOM 0 HG3 MET A 51 18.222 6.630 0.748 1.00 0.00 H new ATOM 0 HE1 MET A 51 19.983 3.429 0.495 1.00 0.00 H new ATOM 0 HE2 MET A 51 19.157 4.527 1.626 1.00 0.00 H new ATOM 0 HE3 MET A 51 18.432 4.174 0.040 1.00 0.00 H new ATOM 763 N GLY A 52 17.656 9.316 -3.518 1.00 0.00 N ATOM 764 CA GLY A 52 17.707 9.696 -4.919 1.00 0.00 C ATOM 765 C GLY A 52 17.085 8.613 -5.804 1.00 0.00 C ATOM 766 O GLY A 52 17.777 7.994 -6.611 1.00 0.00 O ATOM 0 H GLY A 52 16.761 8.934 -3.212 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.177 10.638 -5.064 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.742 9.864 -5.217 1.00 0.00 H new ATOM 770 N SER A 53 15.788 8.417 -5.621 1.00 0.00 N ATOM 771 CA SER A 53 15.066 7.420 -6.392 1.00 0.00 C ATOM 772 C SER A 53 13.674 7.944 -6.753 1.00 0.00 C ATOM 773 O SER A 53 12.723 7.762 -5.996 1.00 0.00 O ATOM 774 CB SER A 53 14.953 6.103 -5.621 1.00 0.00 C ATOM 775 OG SER A 53 16.099 5.277 -5.806 1.00 0.00 O ATOM 0 H SER A 53 15.218 8.932 -4.950 1.00 0.00 H new ATOM 0 HA SER A 53 15.624 7.227 -7.308 1.00 0.00 H new ATOM 0 HB2 SER A 53 14.826 6.314 -4.559 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.062 5.566 -5.948 1.00 0.00 H new ATOM 0 HG SER A 53 15.990 4.447 -5.297 1.00 0.00 H new ATOM 781 N GLN A 54 13.600 8.584 -7.911 1.00 0.00 N ATOM 782 CA GLN A 54 12.342 9.136 -8.382 1.00 0.00 C ATOM 783 C GLN A 54 11.437 8.020 -8.909 1.00 0.00 C ATOM 784 O GLN A 54 10.224 8.196 -9.010 1.00 0.00 O ATOM 785 CB GLN A 54 12.577 10.203 -9.453 1.00 0.00 C ATOM 786 CG GLN A 54 13.539 9.696 -10.530 1.00 0.00 C ATOM 787 CD GLN A 54 12.956 9.903 -11.929 1.00 0.00 C ATOM 788 OE1 GLN A 54 13.355 10.785 -12.672 1.00 0.00 O ATOM 789 NE2 GLN A 54 11.991 9.044 -12.245 1.00 0.00 N ATOM 0 H GLN A 54 14.392 8.732 -8.537 1.00 0.00 H new ATOM 0 HA GLN A 54 11.842 9.617 -7.541 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.627 10.480 -9.910 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.983 11.103 -8.992 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.491 10.220 -10.448 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.743 8.637 -10.371 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.705 8.329 -11.576 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.537 9.100 -13.157 1.00 0.00 H new ATOM 798 N ASN A 55 12.062 6.897 -9.230 1.00 0.00 N ATOM 799 CA ASN A 55 11.328 5.753 -9.744 1.00 0.00 C ATOM 800 C ASN A 55 10.284 5.318 -8.714 1.00 0.00 C ATOM 801 O ASN A 55 9.191 4.885 -9.077 1.00 0.00 O ATOM 802 CB ASN A 55 12.263 4.568 -9.998 1.00 0.00 C ATOM 803 CG ASN A 55 11.955 3.907 -11.343 1.00 0.00 C ATOM 804 OD1 ASN A 55 11.023 3.132 -11.484 1.00 0.00 O ATOM 805 ND2 ASN A 55 12.789 4.254 -12.320 1.00 0.00 N ATOM 0 H ASN A 55 13.068 6.755 -9.144 1.00 0.00 H new ATOM 0 HA ASN A 55 10.856 6.048 -10.681 1.00 0.00 H new ATOM 0 HB2 ASN A 55 13.299 4.907 -9.984 1.00 0.00 H new ATOM 0 HB3 ASN A 55 12.156 3.837 -9.196 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.668 3.866 -13.255 1.00 0.00 H new ATOM 0 HD22 ASN A 55 13.549 4.908 -12.134 1.00 0.00 H new ATOM 812 N ARG A 56 10.656 5.449 -7.449 1.00 0.00 N ATOM 813 CA ARG A 56 9.765 5.074 -6.364 1.00 0.00 C ATOM 814 C ARG A 56 9.206 6.324 -5.681 1.00 0.00 C ATOM 815 O ARG A 56 9.938 7.283 -5.438 1.00 0.00 O ATOM 816 CB ARG A 56 10.491 4.216 -5.326 1.00 0.00 C ATOM 817 CG ARG A 56 9.495 3.530 -4.388 1.00 0.00 C ATOM 818 CD ARG A 56 9.963 2.119 -4.030 1.00 0.00 C ATOM 819 NE ARG A 56 8.976 1.123 -4.504 1.00 0.00 N ATOM 820 CZ ARG A 56 9.181 -0.201 -4.493 1.00 0.00 C ATOM 821 NH1 ARG A 56 10.338 -0.697 -4.032 1.00 0.00 N ATOM 822 NH2 ARG A 56 8.229 -1.030 -4.942 1.00 0.00 N ATOM 0 H ARG A 56 11.562 5.810 -7.151 1.00 0.00 H new ATOM 0 HA ARG A 56 8.948 4.493 -6.792 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.098 3.464 -5.831 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.172 4.839 -4.746 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.380 4.120 -3.479 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.515 3.483 -4.864 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.935 1.924 -4.483 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.090 2.032 -2.951 1.00 0.00 H new ATOM 0 HE ARG A 56 8.084 1.466 -4.861 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.063 -0.066 -3.689 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.494 -1.705 -4.024 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.348 -0.653 -5.292 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.385 -2.038 -4.934 1.00 0.00 H new ATOM 836 N TRP A 57 7.914 6.274 -5.392 1.00 0.00 N ATOM 837 CA TRP A 57 7.249 7.390 -4.742 1.00 0.00 C ATOM 838 C TRP A 57 6.778 6.923 -3.363 1.00 0.00 C ATOM 839 O TRP A 57 6.669 5.723 -3.114 1.00 0.00 O ATOM 840 CB TRP A 57 6.111 7.931 -5.610 1.00 0.00 C ATOM 841 CG TRP A 57 6.576 8.558 -6.926 1.00 0.00 C ATOM 842 CD1 TRP A 57 7.832 8.803 -7.325 1.00 0.00 C ATOM 843 CD2 TRP A 57 5.735 9.011 -8.007 1.00 0.00 C ATOM 844 NE1 TRP A 57 7.861 9.379 -8.578 1.00 0.00 N ATOM 845 CE2 TRP A 57 6.545 9.510 -9.007 1.00 0.00 C ATOM 846 CE3 TRP A 57 4.335 9.001 -8.136 1.00 0.00 C ATOM 847 CZ2 TRP A 57 6.049 10.035 -10.206 1.00 0.00 C ATOM 848 CZ3 TRP A 57 3.855 9.529 -9.340 1.00 0.00 C ATOM 849 CH2 TRP A 57 4.657 10.035 -10.356 1.00 0.00 C ATOM 0 H TRP A 57 7.310 5.478 -5.596 1.00 0.00 H new ATOM 0 HA TRP A 57 7.937 8.225 -4.610 1.00 0.00 H new ATOM 0 HB2 TRP A 57 5.419 7.119 -5.831 1.00 0.00 H new ATOM 0 HB3 TRP A 57 5.556 8.676 -5.040 1.00 0.00 H new ATOM 0 HD1 TRP A 57 8.711 8.578 -6.739 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.695 9.658 -9.095 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.682 8.616 -7.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 6.704 10.419 -10.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 2.786 9.544 -9.490 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.208 10.426 -11.257 1.00 0.00 H new ATOM 860 N LEU A 58 6.512 7.895 -2.503 1.00 0.00 N ATOM 861 CA LEU A 58 6.056 7.598 -1.156 1.00 0.00 C ATOM 862 C LEU A 58 4.574 7.959 -1.033 1.00 0.00 C ATOM 863 O LEU A 58 4.159 9.041 -1.443 1.00 0.00 O ATOM 864 CB LEU A 58 6.946 8.292 -0.123 1.00 0.00 C ATOM 865 CG LEU A 58 6.426 8.297 1.316 1.00 0.00 C ATOM 866 CD1 LEU A 58 5.319 9.337 1.495 1.00 0.00 C ATOM 867 CD2 LEU A 58 5.972 6.898 1.740 1.00 0.00 C ATOM 0 H LEU A 58 6.604 8.889 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 58 6.143 6.531 -0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.924 7.810 -0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.096 9.325 -0.438 1.00 0.00 H new ATOM 0 HG LEU A 58 7.246 8.583 1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.967 9.320 2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.709 10.328 1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.491 9.106 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.607 6.929 2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.173 6.560 1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.813 6.207 1.675 1.00 0.00 H new ATOM 879 N ILE A 59 3.817 7.031 -0.465 1.00 0.00 N ATOM 880 CA ILE A 59 2.390 7.238 -0.283 1.00 0.00 C ATOM 881 C ILE A 59 2.004 6.865 1.150 1.00 0.00 C ATOM 882 O ILE A 59 2.735 6.142 1.825 1.00 0.00 O ATOM 883 CB ILE A 59 1.598 6.480 -1.350 1.00 0.00 C ATOM 884 CG1 ILE A 59 1.764 4.968 -1.186 1.00 0.00 C ATOM 885 CG2 ILE A 59 1.983 6.949 -2.755 1.00 0.00 C ATOM 886 CD1 ILE A 59 0.956 4.455 0.008 1.00 0.00 C ATOM 0 H ILE A 59 4.165 6.134 -0.125 1.00 0.00 H new ATOM 0 HA ILE A 59 2.137 8.290 -0.419 1.00 0.00 H new ATOM 0 HB ILE A 59 0.540 6.705 -1.213 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.438 4.462 -2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.818 4.727 -1.047 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.406 6.394 -3.495 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.772 8.014 -2.854 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.046 6.773 -2.919 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.091 3.378 0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.301 4.945 0.918 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.100 4.676 -0.145 1.00 0.00 H new ATOM 898 N ASP A 60 0.857 7.375 1.571 1.00 0.00 N ATOM 899 CA ASP A 60 0.365 7.105 2.911 1.00 0.00 C ATOM 900 C ASP A 60 -0.963 6.350 2.820 1.00 0.00 C ATOM 901 O ASP A 60 -1.899 6.811 2.168 1.00 0.00 O ATOM 902 CB ASP A 60 0.118 8.404 3.680 1.00 0.00 C ATOM 903 CG ASP A 60 -0.011 8.244 5.196 1.00 0.00 C ATOM 904 OD1 ASP A 60 1.044 8.292 5.865 1.00 0.00 O ATOM 905 OD2 ASP A 60 -1.163 8.077 5.653 1.00 0.00 O ATOM 0 H ASP A 60 0.254 7.974 1.008 1.00 0.00 H new ATOM 0 HA ASP A 60 1.118 6.515 3.433 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.936 9.093 3.471 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.793 8.866 3.300 1.00 0.00 H new ATOM 910 N ASN A 61 -1.003 5.204 3.483 1.00 0.00 N ATOM 911 CA ASN A 61 -2.201 4.382 3.485 1.00 0.00 C ATOM 912 C ASN A 61 -3.056 4.736 4.703 1.00 0.00 C ATOM 913 O ASN A 61 -3.609 3.852 5.356 1.00 0.00 O ATOM 914 CB ASN A 61 -1.849 2.895 3.570 1.00 0.00 C ATOM 915 CG ASN A 61 -1.259 2.549 4.939 1.00 0.00 C ATOM 916 OD1 ASN A 61 -0.753 3.396 5.658 1.00 0.00 O ATOM 917 ND2 ASN A 61 -1.351 1.262 5.258 1.00 0.00 N ATOM 0 H ASN A 61 -0.225 4.825 4.023 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.741 4.572 2.558 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.742 2.295 3.393 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.134 2.641 2.787 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.986 0.931 6.151 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.787 0.606 4.610 1.00 0.00 H new ATOM 924 N GLY A 62 -3.136 6.030 4.974 1.00 0.00 N ATOM 925 CA GLY A 62 -3.914 6.512 6.102 1.00 0.00 C ATOM 926 C GLY A 62 -3.589 5.720 7.370 1.00 0.00 C ATOM 927 O GLY A 62 -4.403 5.653 8.291 1.00 0.00 O ATOM 0 H GLY A 62 -2.674 6.760 4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.707 7.569 6.266 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.977 6.427 5.878 1.00 0.00 H new ATOM 931 N VAL A 63 -2.399 5.139 7.378 1.00 0.00 N ATOM 932 CA VAL A 63 -1.956 4.353 8.517 1.00 0.00 C ATOM 933 C VAL A 63 -0.460 4.585 8.741 1.00 0.00 C ATOM 934 O VAL A 63 -0.035 4.883 9.856 1.00 0.00 O ATOM 935 CB VAL A 63 -2.308 2.880 8.306 1.00 0.00 C ATOM 936 CG1 VAL A 63 -1.731 2.012 9.426 1.00 0.00 C ATOM 937 CG2 VAL A 63 -3.822 2.689 8.189 1.00 0.00 C ATOM 0 H VAL A 63 -1.727 5.197 6.613 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.473 4.669 9.423 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.856 2.559 7.367 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.996 0.969 9.251 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.646 2.113 9.442 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.139 2.335 10.384 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.045 1.633 8.039 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.304 3.036 9.103 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.197 3.262 7.341 1.00 0.00 H new ATOM 947 N THR A 64 0.296 4.438 7.663 1.00 0.00 N ATOM 948 CA THR A 64 1.735 4.627 7.727 1.00 0.00 C ATOM 949 C THR A 64 2.261 5.173 6.398 1.00 0.00 C ATOM 950 O THR A 64 1.495 5.700 5.593 1.00 0.00 O ATOM 951 CB THR A 64 2.370 3.295 8.131 1.00 0.00 C ATOM 952 OG1 THR A 64 3.732 3.623 8.390 1.00 0.00 O ATOM 953 CG2 THR A 64 2.440 2.303 6.967 1.00 0.00 C ATOM 0 H THR A 64 -0.061 4.190 6.740 1.00 0.00 H new ATOM 0 HA THR A 64 2.003 5.371 8.477 1.00 0.00 H new ATOM 0 HB THR A 64 1.800 2.855 8.949 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.316 2.991 7.921 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.899 1.375 7.307 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.433 2.098 6.603 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.038 2.729 6.161 1.00 0.00 H new ATOM 961 N LYS A 65 3.565 5.028 6.210 1.00 0.00 N ATOM 962 CA LYS A 65 4.202 5.500 4.993 1.00 0.00 C ATOM 963 C LYS A 65 4.846 4.317 4.268 1.00 0.00 C ATOM 964 O LYS A 65 5.709 3.639 4.823 1.00 0.00 O ATOM 965 CB LYS A 65 5.179 6.635 5.305 1.00 0.00 C ATOM 966 CG LYS A 65 4.571 7.995 4.954 1.00 0.00 C ATOM 967 CD LYS A 65 5.137 9.097 5.851 1.00 0.00 C ATOM 968 CE LYS A 65 6.177 9.933 5.102 1.00 0.00 C ATOM 969 NZ LYS A 65 7.393 10.108 5.927 1.00 0.00 N ATOM 0 H LYS A 65 4.197 4.590 6.880 1.00 0.00 H new ATOM 0 HA LYS A 65 3.461 5.925 4.316 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.442 6.612 6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.102 6.490 4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.776 8.230 3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.487 7.952 5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.328 9.741 6.197 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.591 8.653 6.736 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.435 9.446 4.162 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.757 10.907 4.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.088 10.678 5.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.145 10.593 6.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.802 9.177 6.145 1.00 0.00 H new ATOM 983 N GLY A 66 4.401 4.104 3.038 1.00 0.00 N ATOM 984 CA GLY A 66 4.923 3.015 2.231 1.00 0.00 C ATOM 985 C GLY A 66 5.418 3.524 0.876 1.00 0.00 C ATOM 986 O GLY A 66 4.825 4.432 0.296 1.00 0.00 O ATOM 0 H GLY A 66 3.684 4.668 2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.741 2.525 2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.146 2.265 2.080 1.00 0.00 H new ATOM 990 N PHE A 67 6.500 2.917 0.411 1.00 0.00 N ATOM 991 CA PHE A 67 7.081 3.297 -0.866 1.00 0.00 C ATOM 992 C PHE A 67 6.731 2.280 -1.953 1.00 0.00 C ATOM 993 O PHE A 67 7.035 1.096 -1.822 1.00 0.00 O ATOM 994 CB PHE A 67 8.600 3.321 -0.676 1.00 0.00 C ATOM 995 CG PHE A 67 9.116 4.557 0.063 1.00 0.00 C ATOM 996 CD1 PHE A 67 8.629 4.866 1.294 1.00 0.00 C ATOM 997 CD2 PHE A 67 10.062 5.347 -0.512 1.00 0.00 C ATOM 998 CE1 PHE A 67 9.108 6.013 1.980 1.00 0.00 C ATOM 999 CE2 PHE A 67 10.541 6.495 0.173 1.00 0.00 C ATOM 1000 CZ PHE A 67 10.054 6.803 1.405 1.00 0.00 C ATOM 0 H PHE A 67 6.990 2.165 0.895 1.00 0.00 H new ATOM 0 HA PHE A 67 6.694 4.267 -1.177 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.901 2.430 -0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.079 3.269 -1.654 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.877 4.239 1.750 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.449 5.101 -1.490 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.721 6.258 2.958 1.00 0.00 H new ATOM 0 HE2 PHE A 67 11.291 7.123 -0.284 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.419 7.675 1.927 1.00 0.00 H new ATOM 1010 N VAL A 68 6.095 2.780 -3.003 1.00 0.00 N ATOM 1011 CA VAL A 68 5.699 1.929 -4.113 1.00 0.00 C ATOM 1012 C VAL A 68 5.903 2.685 -5.427 1.00 0.00 C ATOM 1013 O VAL A 68 5.928 3.915 -5.442 1.00 0.00 O ATOM 1014 CB VAL A 68 4.260 1.449 -3.916 1.00 0.00 C ATOM 1015 CG1 VAL A 68 4.154 0.511 -2.712 1.00 0.00 C ATOM 1016 CG2 VAL A 68 3.301 2.633 -3.775 1.00 0.00 C ATOM 0 H VAL A 68 5.844 3.763 -3.108 1.00 0.00 H new ATOM 0 HA VAL A 68 6.323 1.036 -4.152 1.00 0.00 H new ATOM 0 HB VAL A 68 3.970 0.887 -4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.121 0.185 -2.595 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.793 -0.358 -2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.473 1.037 -1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.285 2.264 -3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.590 3.234 -2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.344 3.246 -4.675 1.00 0.00 H new ATOM 1026 N TYR A 69 6.044 1.918 -6.498 1.00 0.00 N ATOM 1027 CA TYR A 69 6.245 2.500 -7.814 1.00 0.00 C ATOM 1028 C TYR A 69 4.922 2.993 -8.404 1.00 0.00 C ATOM 1029 O TYR A 69 3.954 2.238 -8.481 1.00 0.00 O ATOM 1030 CB TYR A 69 6.794 1.375 -8.693 1.00 0.00 C ATOM 1031 CG TYR A 69 8.162 0.852 -8.252 1.00 0.00 C ATOM 1032 CD1 TYR A 69 9.201 1.733 -8.034 1.00 0.00 C ATOM 1033 CD2 TYR A 69 8.357 -0.503 -8.071 1.00 0.00 C ATOM 1034 CE1 TYR A 69 10.489 1.241 -7.619 1.00 0.00 C ATOM 1035 CE2 TYR A 69 9.645 -0.996 -7.655 1.00 0.00 C ATOM 1036 CZ TYR A 69 10.647 -0.100 -7.450 1.00 0.00 C ATOM 1037 OH TYR A 69 11.863 -0.565 -7.057 1.00 0.00 O ATOM 0 H TYR A 69 6.023 0.898 -6.481 1.00 0.00 H new ATOM 0 HA TYR A 69 6.920 3.354 -7.757 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.083 0.548 -8.693 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.867 1.733 -9.720 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.048 2.793 -8.175 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.544 -1.193 -8.241 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.311 1.920 -7.446 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.811 -2.053 -7.509 1.00 0.00 H new ATOM 0 HH TYR A 69 11.829 -1.541 -6.976 1.00 0.00 H new ATOM 1047 N SER A 70 4.923 4.256 -8.805 1.00 0.00 N ATOM 1048 CA SER A 70 3.735 4.858 -9.385 1.00 0.00 C ATOM 1049 C SER A 70 3.050 3.863 -10.324 1.00 0.00 C ATOM 1050 O SER A 70 1.834 3.912 -10.505 1.00 0.00 O ATOM 1051 CB SER A 70 4.081 6.145 -10.136 1.00 0.00 C ATOM 1052 OG SER A 70 5.187 5.969 -11.017 1.00 0.00 O ATOM 0 H SER A 70 5.728 4.879 -8.740 1.00 0.00 H new ATOM 0 HA SER A 70 3.051 5.114 -8.576 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.213 6.477 -10.706 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.311 6.933 -9.418 1.00 0.00 H new ATOM 0 HG SER A 70 5.375 6.813 -11.479 1.00 0.00 H new ATOM 1058 N SER A 71 3.859 2.985 -10.897 1.00 0.00 N ATOM 1059 CA SER A 71 3.346 1.980 -11.812 1.00 0.00 C ATOM 1060 C SER A 71 2.272 1.140 -11.119 1.00 0.00 C ATOM 1061 O SER A 71 1.202 0.909 -11.680 1.00 0.00 O ATOM 1062 CB SER A 71 4.471 1.081 -12.330 1.00 0.00 C ATOM 1063 OG SER A 71 4.466 0.985 -13.752 1.00 0.00 O ATOM 0 H SER A 71 4.867 2.949 -10.745 1.00 0.00 H new ATOM 0 HA SER A 71 2.903 2.491 -12.667 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.432 1.474 -11.997 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.367 0.085 -11.899 1.00 0.00 H new ATOM 0 HG SER A 71 5.200 0.404 -14.043 1.00 0.00 H new ATOM 1069 N PHE A 72 2.594 0.706 -9.910 1.00 0.00 N ATOM 1070 CA PHE A 72 1.669 -0.103 -9.134 1.00 0.00 C ATOM 1071 C PHE A 72 0.494 0.738 -8.631 1.00 0.00 C ATOM 1072 O PHE A 72 -0.439 0.209 -8.028 1.00 0.00 O ATOM 1073 CB PHE A 72 2.447 -0.642 -7.931 1.00 0.00 C ATOM 1074 CG PHE A 72 3.140 -1.981 -8.188 1.00 0.00 C ATOM 1075 CD1 PHE A 72 2.405 -3.124 -8.260 1.00 0.00 C ATOM 1076 CD2 PHE A 72 4.490 -2.030 -8.344 1.00 0.00 C ATOM 1077 CE1 PHE A 72 3.048 -4.367 -8.498 1.00 0.00 C ATOM 1078 CE2 PHE A 72 5.133 -3.273 -8.582 1.00 0.00 C ATOM 1079 CZ PHE A 72 4.398 -4.416 -8.654 1.00 0.00 C ATOM 0 H PHE A 72 3.483 0.899 -9.448 1.00 0.00 H new ATOM 0 HA PHE A 72 1.268 -0.906 -9.752 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.196 0.093 -7.637 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.763 -0.754 -7.090 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.333 -3.085 -8.136 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.073 -1.123 -8.287 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.465 -5.274 -8.555 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.205 -3.312 -8.706 1.00 0.00 H new ATOM 0 HZ PHE A 72 4.887 -5.362 -8.835 1.00 0.00 H new ATOM 1089 N LEU A 73 0.576 2.033 -8.898 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.469 2.951 -8.481 1.00 0.00 C ATOM 1091 C LEU A 73 -1.208 3.471 -9.715 1.00 0.00 C ATOM 1092 O LEU A 73 -0.728 3.324 -10.838 1.00 0.00 O ATOM 1093 CB LEU A 73 0.112 4.059 -7.600 1.00 0.00 C ATOM 1094 CG LEU A 73 0.750 3.606 -6.285 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.489 4.761 -5.607 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.292 2.971 -5.361 1.00 0.00 C ATOM 0 H LEU A 73 1.351 2.468 -9.398 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.204 2.436 -7.863 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.862 4.599 -8.178 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.684 4.767 -7.370 1.00 0.00 H new ATOM 0 HG LEU A 73 1.491 2.839 -6.511 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.933 4.412 -4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.274 5.128 -6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.787 5.567 -5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.187 2.658 -4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.073 3.699 -5.138 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.734 2.104 -5.852 1.00 0.00 H new ATOM 1108 N LYS A 74 -2.364 4.069 -9.465 1.00 0.00 N ATOM 1109 CA LYS A 74 -3.174 4.611 -10.543 1.00 0.00 C ATOM 1110 C LYS A 74 -3.694 5.992 -10.138 1.00 0.00 C ATOM 1111 O LYS A 74 -3.922 6.253 -8.958 1.00 0.00 O ATOM 1112 CB LYS A 74 -4.280 3.627 -10.929 1.00 0.00 C ATOM 1113 CG LYS A 74 -5.042 3.145 -9.693 1.00 0.00 C ATOM 1114 CD LYS A 74 -6.469 3.696 -9.679 1.00 0.00 C ATOM 1115 CE LYS A 74 -7.495 2.562 -9.689 1.00 0.00 C ATOM 1116 NZ LYS A 74 -8.843 3.085 -10.005 1.00 0.00 N ATOM 0 H LYS A 74 -2.759 4.190 -8.532 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.572 4.746 -11.441 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.971 4.105 -11.623 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.846 2.773 -11.449 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.069 2.055 -9.680 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.517 3.462 -8.792 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.615 4.315 -8.794 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.623 4.338 -10.546 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.208 1.811 -10.425 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.509 2.068 -8.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.527 2.302 -10.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.121 3.785 -9.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.829 3.536 -10.942 1.00 0.00 H new ATOM 1130 N PRO A 75 -3.870 6.864 -11.167 1.00 0.00 N ATOM 1131 CA PRO A 75 -4.358 8.212 -10.931 1.00 0.00 C ATOM 1132 C PRO A 75 -5.859 8.207 -10.633 1.00 0.00 C ATOM 1133 O PRO A 75 -6.677 8.117 -11.547 1.00 0.00 O ATOM 1134 CB PRO A 75 -4.006 8.985 -12.192 1.00 0.00 C ATOM 1135 CG PRO A 75 -3.754 7.938 -13.265 1.00 0.00 C ATOM 1136 CD PRO A 75 -3.610 6.590 -12.578 1.00 0.00 C ATOM 0 HA PRO A 75 -3.904 8.676 -10.056 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.818 9.653 -12.481 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.123 9.605 -12.036 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.578 7.917 -13.978 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.852 8.178 -13.828 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.318 5.864 -12.978 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.612 6.176 -12.724 1.00 0.00 H new ATOM 1144 N TYR A 76 -6.175 8.305 -9.350 1.00 0.00 N ATOM 1145 CA TYR A 76 -7.563 8.313 -8.920 1.00 0.00 C ATOM 1146 C TYR A 76 -8.381 9.323 -9.726 1.00 0.00 C ATOM 1147 O TYR A 76 -7.849 9.996 -10.608 1.00 0.00 O ATOM 1148 CB TYR A 76 -7.547 8.743 -7.452 1.00 0.00 C ATOM 1149 CG TYR A 76 -8.818 8.379 -6.683 1.00 0.00 C ATOM 1150 CD1 TYR A 76 -9.011 7.086 -6.240 1.00 0.00 C ATOM 1151 CD2 TYR A 76 -9.773 9.344 -6.431 1.00 0.00 C ATOM 1152 CE1 TYR A 76 -10.208 6.743 -5.516 1.00 0.00 C ATOM 1153 CE2 TYR A 76 -10.970 9.001 -5.707 1.00 0.00 C ATOM 1154 CZ TYR A 76 -11.128 7.718 -5.286 1.00 0.00 C ATOM 1155 OH TYR A 76 -12.258 7.394 -4.602 1.00 0.00 O ATOM 0 H TYR A 76 -5.494 8.380 -8.594 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.015 7.331 -9.063 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.691 8.282 -6.958 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.401 9.822 -7.402 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.264 6.331 -6.436 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.622 10.356 -6.777 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.371 5.735 -5.164 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.725 9.746 -5.503 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.824 8.189 -4.510 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.662 9.398 -9.396 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.559 10.315 -10.078 1.00 0.00 C ATOM 1167 C ASN A 77 -11.848 10.459 -9.267 1.00 0.00 C ATOM 1168 O ASN A 77 -12.770 9.658 -9.411 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.931 9.790 -11.467 1.00 0.00 C ATOM 1170 CG ASN A 77 -10.121 10.498 -12.555 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -9.780 11.665 -12.452 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -9.833 9.729 -13.601 1.00 0.00 N ATOM 0 H ASN A 77 -10.100 8.838 -8.665 1.00 0.00 H new ATOM 0 HA ASN A 77 -10.049 11.273 -10.178 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.750 8.716 -11.514 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -11.996 9.942 -11.644 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.296 10.109 -14.381 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.149 8.760 -13.624 1.00 0.00 H new