USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 617 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 10 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 82 ASN :FLIP amide:sc= -1.03 F(o=-2.4!,f=-1) USER MOD Single : A 4 SER OG : rot 23:sc= 0.503 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00771 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.644 K(o=0.64,f=-12!) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.165 F(o=-1.4!,f=-0.17) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 151:sc= -0.151 (180deg=-0.809) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.088 K(o=-0.088,f=-0.78) USER MOD Single : A 62 SER OG : rot 3:sc= 0.503 USER MOD Single : A 67 ASN : amide:sc= -0.499 X(o=-0.5,f=-0.053) USER MOD Single : A 70 LYS NZ :NH3+ 137:sc= -1.13 (180deg=-3.21!) USER MOD Single : A 72 MET CE :methyl -134:sc= -2 (180deg=-6.93!) USER MOD Single : A 76 ASN : amide:sc= -4.13! C(o=-4.1!,f=-13!) USER MOD Single : A 77 ASN : amide:sc= -0.0207 X(o=-0.021,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= -0.385 (180deg=-0.669) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N SER A 4 4.916 -6.944 -4.435 1.00 13.42 N ATOM 42 CA SER A 4 4.226 -8.152 -4.854 1.00 24.23 C ATOM 43 C SER A 4 3.216 -8.575 -3.786 1.00 34.02 C ATOM 44 O SER A 4 2.974 -7.840 -2.829 1.00 73.43 O ATOM 45 CB SER A 4 5.218 -9.286 -5.125 1.00 15.32 C ATOM 46 OG SER A 4 6.477 -8.797 -5.577 1.00 42.54 O ATOM 0 HA SER A 4 3.696 -7.939 -5.782 1.00 24.23 H new ATOM 0 HB2 SER A 4 5.361 -9.868 -4.215 1.00 15.32 H new ATOM 0 HB3 SER A 4 4.802 -9.961 -5.873 1.00 15.32 H new ATOM 0 HG SER A 4 6.591 -7.869 -5.285 1.00 42.54 H new ATOM 52 N ILE A 5 2.652 -9.758 -3.985 1.00 5.31 N ATOM 53 CA ILE A 5 1.673 -10.287 -3.051 1.00 24.12 C ATOM 54 C ILE A 5 2.018 -11.742 -2.727 1.00 64.23 C ATOM 55 O ILE A 5 2.541 -12.463 -3.576 1.00 22.34 O ATOM 56 CB ILE A 5 0.256 -10.098 -3.595 1.00 42.45 C ATOM 57 CG1 ILE A 5 -0.158 -8.625 -3.546 1.00 30.54 C ATOM 58 CG2 ILE A 5 -0.739 -10.998 -2.860 1.00 64.25 C ATOM 59 CD1 ILE A 5 -1.326 -8.352 -4.496 1.00 21.15 C ATOM 0 H ILE A 5 2.855 -10.365 -4.779 1.00 5.31 H new ATOM 0 HA ILE A 5 1.705 -9.734 -2.112 1.00 24.12 H new ATOM 0 HB ILE A 5 0.249 -10.400 -4.642 1.00 42.45 H new ATOM 0 HG12 ILE A 5 -0.442 -8.357 -2.528 1.00 30.54 H new ATOM 0 HG13 ILE A 5 0.690 -7.996 -3.816 1.00 30.54 H new ATOM 0 HG21 ILE A 5 -1.738 -10.844 -3.267 1.00 64.25 H new ATOM 0 HG22 ILE A 5 -0.451 -12.041 -2.991 1.00 64.25 H new ATOM 0 HG23 ILE A 5 -0.737 -10.751 -1.798 1.00 64.25 H new ATOM 0 HD11 ILE A 5 -1.600 -7.299 -4.442 1.00 21.15 H new ATOM 0 HD12 ILE A 5 -1.031 -8.598 -5.516 1.00 21.15 H new ATOM 0 HD13 ILE A 5 -2.180 -8.965 -4.208 1.00 21.15 H new ATOM 71 N LEU A 6 1.712 -12.130 -1.498 1.00 72.32 N ATOM 72 CA LEU A 6 1.983 -13.486 -1.052 1.00 71.41 C ATOM 73 C LEU A 6 0.722 -14.336 -1.221 1.00 14.23 C ATOM 74 O LEU A 6 -0.393 -13.827 -1.111 1.00 61.20 O ATOM 75 CB LEU A 6 2.534 -13.481 0.375 1.00 3.31 C ATOM 76 CG LEU A 6 2.934 -14.843 0.945 1.00 35.33 C ATOM 77 CD1 LEU A 6 1.699 -15.699 1.235 1.00 21.24 C ATOM 78 CD2 LEU A 6 3.921 -15.557 0.020 1.00 41.11 C ATOM 0 H LEU A 6 1.279 -11.529 -0.797 1.00 72.32 H new ATOM 0 HA LEU A 6 2.759 -13.941 -1.667 1.00 71.41 H new ATOM 0 HB2 LEU A 6 3.406 -12.827 0.404 1.00 3.31 H new ATOM 0 HB3 LEU A 6 1.783 -13.041 1.031 1.00 3.31 H new ATOM 0 HG LEU A 6 3.444 -14.679 1.894 1.00 35.33 H new ATOM 0 HD11 LEU A 6 2.011 -16.662 1.639 1.00 21.24 H new ATOM 0 HD12 LEU A 6 1.065 -15.189 1.960 1.00 21.24 H new ATOM 0 HD13 LEU A 6 1.141 -15.856 0.312 1.00 21.24 H new ATOM 0 HD21 LEU A 6 4.189 -16.523 0.449 1.00 41.11 H new ATOM 0 HD22 LEU A 6 3.460 -15.709 -0.956 1.00 41.11 H new ATOM 0 HD23 LEU A 6 4.819 -14.949 -0.093 1.00 41.11 H new ATOM 90 N PHE A 7 0.940 -15.616 -1.485 1.00 13.34 N ATOM 91 CA PHE A 7 -0.166 -16.541 -1.669 1.00 44.34 C ATOM 92 C PHE A 7 -0.082 -17.701 -0.675 1.00 42.15 C ATOM 93 O PHE A 7 0.881 -18.466 -0.689 1.00 70.32 O ATOM 94 CB PHE A 7 -0.053 -17.094 -3.091 1.00 41.24 C ATOM 95 CG PHE A 7 -1.018 -16.449 -4.088 1.00 42.43 C ATOM 96 CD1 PHE A 7 -1.278 -15.116 -4.017 1.00 51.44 C ATOM 97 CD2 PHE A 7 -1.615 -17.208 -5.045 1.00 71.14 C ATOM 98 CE1 PHE A 7 -2.173 -14.517 -4.943 1.00 15.23 C ATOM 99 CE2 PHE A 7 -2.511 -16.609 -5.971 1.00 25.34 C ATOM 100 CZ PHE A 7 -2.771 -15.276 -5.900 1.00 22.42 C ATOM 0 H PHE A 7 1.866 -16.034 -1.576 1.00 13.34 H new ATOM 0 HA PHE A 7 -1.113 -16.027 -1.506 1.00 44.34 H new ATOM 0 HB2 PHE A 7 0.968 -16.952 -3.445 1.00 41.24 H new ATOM 0 HB3 PHE A 7 -0.235 -18.168 -3.068 1.00 41.24 H new ATOM 0 HD1 PHE A 7 -0.804 -14.513 -3.257 1.00 51.44 H new ATOM 0 HD2 PHE A 7 -1.408 -18.267 -5.101 1.00 71.14 H new ATOM 0 HE1 PHE A 7 -2.379 -13.458 -4.887 1.00 15.23 H new ATOM 0 HE2 PHE A 7 -2.985 -17.212 -6.731 1.00 25.34 H new ATOM 0 HZ PHE A 7 -3.452 -14.820 -6.603 1.00 22.42 H new ATOM 110 N ARG A 8 -1.103 -17.795 0.163 1.00 11.42 N ATOM 111 CA ARG A 8 -1.157 -18.849 1.162 1.00 10.51 C ATOM 112 C ARG A 8 -1.817 -20.100 0.579 1.00 42.44 C ATOM 113 O ARG A 8 -3.017 -20.308 0.747 1.00 73.41 O ATOM 114 CB ARG A 8 -1.939 -18.397 2.397 1.00 23.14 C ATOM 115 CG ARG A 8 -0.992 -17.922 3.502 1.00 72.22 C ATOM 116 CD ARG A 8 -1.544 -18.274 4.885 1.00 4.40 C ATOM 117 NE ARG A 8 -1.913 -19.706 4.934 1.00 53.24 N ATOM 118 CZ ARG A 8 -2.810 -20.227 5.798 1.00 63.30 C ATOM 119 NH1 ARG A 8 -3.437 -19.437 6.695 1.00 44.32 N ATOM 120 NH2 ARG A 8 -3.064 -21.522 5.753 1.00 2.21 N ATOM 0 H ARG A 8 -1.900 -17.159 0.171 1.00 11.42 H new ATOM 0 HA ARG A 8 -0.133 -19.079 1.458 1.00 10.51 H new ATOM 0 HB2 ARG A 8 -2.620 -17.591 2.125 1.00 23.14 H new ATOM 0 HB3 ARG A 8 -2.551 -19.220 2.766 1.00 23.14 H new ATOM 0 HG2 ARG A 8 -0.013 -18.382 3.369 1.00 72.22 H new ATOM 0 HG3 ARG A 8 -0.851 -16.844 3.426 1.00 72.22 H new ATOM 0 HD2 ARG A 8 -0.798 -18.056 5.649 1.00 4.40 H new ATOM 0 HD3 ARG A 8 -2.416 -17.658 5.105 1.00 4.40 H new ATOM 0 HE ARG A 8 -1.462 -20.339 4.274 1.00 53.24 H new ATOM 0 HH11 ARG A 8 -3.235 -18.438 6.724 1.00 44.32 H new ATOM 0 HH12 ARG A 8 -4.113 -19.839 7.344 1.00 44.32 H new ATOM 0 HH21 ARG A 8 -2.585 -22.112 5.073 1.00 2.21 H new ATOM 0 HH22 ARG A 8 -3.739 -21.932 6.399 1.00 2.21 H new ATOM 133 N ILE A 9 -1.003 -20.899 -0.095 1.00 73.14 N ATOM 134 CA ILE A 9 -1.493 -22.124 -0.705 1.00 11.03 C ATOM 135 C ILE A 9 -1.865 -23.122 0.394 1.00 44.11 C ATOM 136 O ILE A 9 -0.989 -23.664 1.067 1.00 73.34 O ATOM 137 CB ILE A 9 -0.475 -22.667 -1.710 1.00 11.42 C ATOM 138 CG1 ILE A 9 -0.480 -21.839 -2.997 1.00 12.14 C ATOM 139 CG2 ILE A 9 -0.713 -24.153 -1.983 1.00 75.04 C ATOM 140 CD1 ILE A 9 0.890 -21.207 -3.248 1.00 24.05 C ATOM 0 H ILE A 9 -0.008 -20.722 -0.232 1.00 73.14 H new ATOM 0 HA ILE A 9 -2.399 -21.928 -1.279 1.00 11.03 H new ATOM 0 HB ILE A 9 0.519 -22.576 -1.273 1.00 11.42 H new ATOM 0 HG12 ILE A 9 -0.752 -22.473 -3.841 1.00 12.14 H new ATOM 0 HG13 ILE A 9 -1.237 -21.058 -2.928 1.00 12.14 H new ATOM 0 HG21 ILE A 9 0.024 -24.514 -2.700 1.00 75.04 H new ATOM 0 HG22 ILE A 9 -0.619 -24.713 -1.053 1.00 75.04 H new ATOM 0 HG23 ILE A 9 -1.714 -24.292 -2.390 1.00 75.04 H new ATOM 0 HD11 ILE A 9 0.859 -20.624 -4.169 1.00 24.05 H new ATOM 0 HD12 ILE A 9 1.148 -20.554 -2.414 1.00 24.05 H new ATOM 0 HD13 ILE A 9 1.641 -21.991 -3.341 1.00 24.05 H new ATOM 152 N SER A 10 -3.164 -23.334 0.542 1.00 51.23 N ATOM 153 CA SER A 10 -3.662 -24.257 1.547 1.00 13.12 C ATOM 154 C SER A 10 -3.797 -25.659 0.949 1.00 14.24 C ATOM 155 O SER A 10 -4.212 -25.811 -0.199 1.00 13.34 O ATOM 156 CB SER A 10 -5.006 -23.787 2.108 1.00 21.44 C ATOM 157 OG SER A 10 -4.865 -22.639 2.940 1.00 0.21 O ATOM 0 H SER A 10 -3.887 -22.882 -0.018 1.00 51.23 H new ATOM 0 HA SER A 10 -2.946 -24.287 2.369 1.00 13.12 H new ATOM 0 HB2 SER A 10 -5.682 -23.557 1.285 1.00 21.44 H new ATOM 0 HB3 SER A 10 -5.463 -24.595 2.679 1.00 21.44 H new ATOM 0 HG SER A 10 -5.745 -22.369 3.277 1.00 0.21 H new ATOM 225 N ILE A 15 0.439 -26.557 4.300 1.00 44.42 N ATOM 226 CA ILE A 15 0.442 -25.161 3.894 1.00 61.43 C ATOM 227 C ILE A 15 1.711 -24.871 3.089 1.00 31.44 C ATOM 228 O ILE A 15 2.782 -25.388 3.405 1.00 73.24 O ATOM 229 CB ILE A 15 0.262 -24.249 5.109 1.00 62.32 C ATOM 230 CG1 ILE A 15 -0.808 -24.799 6.054 1.00 72.44 C ATOM 231 CG2 ILE A 15 -0.038 -22.813 4.676 1.00 14.23 C ATOM 232 CD1 ILE A 15 -2.197 -24.714 5.418 1.00 52.13 C ATOM 0 HA ILE A 15 -0.405 -24.953 3.240 1.00 61.43 H new ATOM 0 HB ILE A 15 1.200 -24.229 5.663 1.00 62.32 H new ATOM 0 HG12 ILE A 15 -0.581 -25.836 6.303 1.00 72.44 H new ATOM 0 HG13 ILE A 15 -0.797 -24.237 6.988 1.00 72.44 H new ATOM 0 HG21 ILE A 15 -0.162 -22.185 5.558 1.00 14.23 H new ATOM 0 HG22 ILE A 15 0.788 -22.434 4.074 1.00 14.23 H new ATOM 0 HG23 ILE A 15 -0.955 -22.795 4.086 1.00 14.23 H new ATOM 0 HD11 ILE A 15 -2.939 -25.111 6.110 1.00 52.13 H new ATOM 0 HD12 ILE A 15 -2.431 -23.673 5.193 1.00 52.13 H new ATOM 0 HD13 ILE A 15 -2.212 -25.297 4.497 1.00 52.13 H new ATOM 244 N PHE A 16 1.549 -24.046 2.066 1.00 13.42 N ATOM 245 CA PHE A 16 2.668 -23.681 1.214 1.00 12.53 C ATOM 246 C PHE A 16 2.634 -22.189 0.874 1.00 24.21 C ATOM 247 O PHE A 16 1.571 -21.570 0.884 1.00 25.21 O ATOM 248 CB PHE A 16 2.529 -24.489 -0.077 1.00 24.30 C ATOM 249 CG PHE A 16 3.822 -24.592 -0.889 1.00 3.42 C ATOM 250 CD1 PHE A 16 4.254 -23.527 -1.617 1.00 60.30 C ATOM 251 CD2 PHE A 16 4.540 -25.747 -0.882 1.00 11.10 C ATOM 252 CE1 PHE A 16 5.454 -23.622 -2.370 1.00 60.23 C ATOM 253 CE2 PHE A 16 5.740 -25.842 -1.635 1.00 52.23 C ATOM 254 CZ PHE A 16 6.172 -24.777 -2.364 1.00 34.55 C ATOM 0 H PHE A 16 0.659 -23.619 1.807 1.00 13.42 H new ATOM 0 HA PHE A 16 3.608 -23.889 1.725 1.00 12.53 H new ATOM 0 HB2 PHE A 16 2.186 -25.494 0.170 1.00 24.30 H new ATOM 0 HB3 PHE A 16 1.758 -24.033 -0.698 1.00 24.30 H new ATOM 0 HD1 PHE A 16 3.684 -22.609 -1.622 1.00 60.30 H new ATOM 0 HD2 PHE A 16 4.197 -26.592 -0.304 1.00 11.10 H new ATOM 0 HE1 PHE A 16 5.797 -22.776 -2.948 1.00 60.23 H new ATOM 0 HE2 PHE A 16 6.310 -26.759 -1.629 1.00 52.23 H new ATOM 0 HZ PHE A 16 7.084 -24.849 -2.937 1.00 34.55 H new ATOM 264 N THR A 17 3.811 -21.655 0.581 1.00 70.20 N ATOM 265 CA THR A 17 3.930 -20.248 0.238 1.00 32.13 C ATOM 266 C THR A 17 4.413 -20.090 -1.205 1.00 12.33 C ATOM 267 O THR A 17 5.126 -20.948 -1.722 1.00 51.12 O ATOM 268 CB THR A 17 4.853 -19.588 1.264 1.00 22.12 C ATOM 269 OG1 THR A 17 5.864 -20.564 1.500 1.00 45.04 O ATOM 270 CG2 THR A 17 4.182 -19.411 2.628 1.00 50.24 C ATOM 0 H THR A 17 4.691 -22.172 0.574 1.00 70.20 H new ATOM 0 HA THR A 17 2.963 -19.747 0.280 1.00 32.13 H new ATOM 0 HB THR A 17 5.176 -18.617 0.889 1.00 22.12 H new ATOM 0 HG1 THR A 17 6.507 -20.217 2.153 1.00 45.04 H new ATOM 0 HG21 THR A 17 4.880 -18.938 3.318 1.00 50.24 H new ATOM 0 HG22 THR A 17 3.298 -18.783 2.520 1.00 50.24 H new ATOM 0 HG23 THR A 17 3.889 -20.386 3.019 1.00 50.24 H new ATOM 278 N LEU A 18 4.005 -18.986 -1.814 1.00 11.14 N ATOM 279 CA LEU A 18 4.387 -18.704 -3.187 1.00 1.22 C ATOM 280 C LEU A 18 4.285 -17.199 -3.441 1.00 52.41 C ATOM 281 O LEU A 18 3.294 -16.569 -3.073 1.00 24.14 O ATOM 282 CB LEU A 18 3.560 -19.549 -4.158 1.00 22.25 C ATOM 283 CG LEU A 18 3.955 -19.455 -5.633 1.00 33.02 C ATOM 284 CD1 LEU A 18 3.429 -20.658 -6.419 1.00 12.41 C ATOM 285 CD2 LEU A 18 3.495 -18.128 -6.240 1.00 12.03 C ATOM 0 H LEU A 18 3.414 -18.276 -1.381 1.00 11.14 H new ATOM 0 HA LEU A 18 5.425 -18.987 -3.359 1.00 1.22 H new ATOM 0 HB2 LEU A 18 3.629 -20.592 -3.850 1.00 22.25 H new ATOM 0 HB3 LEU A 18 2.514 -19.257 -4.063 1.00 22.25 H new ATOM 0 HG LEU A 18 5.043 -19.479 -5.698 1.00 33.02 H new ATOM 0 HD11 LEU A 18 3.724 -20.567 -7.464 1.00 12.41 H new ATOM 0 HD12 LEU A 18 3.847 -21.575 -6.003 1.00 12.41 H new ATOM 0 HD13 LEU A 18 2.342 -20.691 -6.350 1.00 12.41 H new ATOM 0 HD21 LEU A 18 3.788 -18.087 -7.289 1.00 12.03 H new ATOM 0 HD22 LEU A 18 2.411 -18.049 -6.163 1.00 12.03 H new ATOM 0 HD23 LEU A 18 3.958 -17.301 -5.701 1.00 12.03 H new ATOM 297 N LEU A 19 5.322 -16.665 -4.069 1.00 61.14 N ATOM 298 CA LEU A 19 5.361 -15.246 -4.377 1.00 45.43 C ATOM 299 C LEU A 19 4.676 -15.001 -5.723 1.00 51.01 C ATOM 300 O LEU A 19 5.126 -15.500 -6.753 1.00 65.11 O ATOM 301 CB LEU A 19 6.798 -14.723 -4.315 1.00 63.51 C ATOM 302 CG LEU A 19 6.958 -13.233 -4.008 1.00 74.01 C ATOM 303 CD1 LEU A 19 6.108 -12.384 -4.956 1.00 65.23 C ATOM 304 CD2 LEU A 19 6.644 -12.939 -2.540 1.00 24.13 C ATOM 0 H LEU A 19 6.142 -17.190 -4.373 1.00 61.14 H new ATOM 0 HA LEU A 19 4.807 -14.679 -3.629 1.00 45.43 H new ATOM 0 HB2 LEU A 19 7.337 -15.290 -3.556 1.00 63.51 H new ATOM 0 HB3 LEU A 19 7.280 -14.930 -5.270 1.00 63.51 H new ATOM 0 HG LEU A 19 8.000 -12.960 -4.176 1.00 74.01 H new ATOM 0 HD11 LEU A 19 6.240 -11.329 -4.717 1.00 65.23 H new ATOM 0 HD12 LEU A 19 6.420 -12.564 -5.985 1.00 65.23 H new ATOM 0 HD13 LEU A 19 5.058 -12.653 -4.843 1.00 65.23 H new ATOM 0 HD21 LEU A 19 6.765 -11.873 -2.348 1.00 24.13 H new ATOM 0 HD22 LEU A 19 5.617 -13.232 -2.322 1.00 24.13 H new ATOM 0 HD23 LEU A 19 7.325 -13.502 -1.902 1.00 24.13 H new ATOM 316 N VAL A 20 3.598 -14.233 -5.671 1.00 13.23 N ATOM 317 CA VAL A 20 2.846 -13.916 -6.873 1.00 15.11 C ATOM 318 C VAL A 20 2.950 -12.416 -7.154 1.00 44.42 C ATOM 319 O VAL A 20 2.469 -11.598 -6.371 1.00 72.41 O ATOM 320 CB VAL A 20 1.400 -14.397 -6.728 1.00 65.42 C ATOM 321 CG1 VAL A 20 0.622 -14.195 -8.030 1.00 1.43 C ATOM 322 CG2 VAL A 20 1.352 -15.860 -6.282 1.00 61.25 C ATOM 0 H VAL A 20 3.227 -13.821 -4.815 1.00 13.23 H new ATOM 0 HA VAL A 20 3.264 -14.438 -7.733 1.00 15.11 H new ATOM 0 HB VAL A 20 0.922 -13.795 -5.955 1.00 65.42 H new ATOM 0 HG11 VAL A 20 -0.402 -14.545 -7.900 1.00 1.43 H new ATOM 0 HG12 VAL A 20 0.614 -13.136 -8.288 1.00 1.43 H new ATOM 0 HG13 VAL A 20 1.099 -14.760 -8.831 1.00 1.43 H new ATOM 0 HG21 VAL A 20 0.314 -16.177 -6.186 1.00 61.25 H new ATOM 0 HG22 VAL A 20 1.855 -16.483 -7.022 1.00 61.25 H new ATOM 0 HG23 VAL A 20 1.853 -15.964 -5.320 1.00 61.25 H new ATOM 332 N GLU A 21 3.583 -12.099 -8.274 1.00 40.14 N ATOM 333 CA GLU A 21 3.757 -10.711 -8.669 1.00 23.32 C ATOM 334 C GLU A 21 2.407 -10.089 -9.030 1.00 42.40 C ATOM 335 O GLU A 21 1.419 -10.799 -9.207 1.00 21.52 O ATOM 336 CB GLU A 21 4.745 -10.592 -9.831 1.00 52.42 C ATOM 337 CG GLU A 21 6.184 -10.792 -9.351 1.00 53.41 C ATOM 338 CD GLU A 21 7.180 -10.160 -10.326 1.00 33.20 C ATOM 339 OE1 GLU A 21 7.447 -10.729 -11.395 1.00 34.21 O ATOM 340 OE2 GLU A 21 7.683 -9.037 -9.940 1.00 54.42 O ATOM 0 H GLU A 21 3.982 -12.780 -8.921 1.00 40.14 H new ATOM 0 HA GLU A 21 4.173 -10.162 -7.824 1.00 23.32 H new ATOM 0 HB2 GLU A 21 4.506 -11.333 -10.593 1.00 52.42 H new ATOM 0 HB3 GLU A 21 4.647 -9.612 -10.298 1.00 52.42 H new ATOM 0 HG2 GLU A 21 6.306 -10.349 -8.363 1.00 53.41 H new ATOM 0 HG3 GLU A 21 6.393 -11.857 -9.251 1.00 53.41 H new ATOM 348 N LYS A 22 2.408 -8.767 -9.129 1.00 25.41 N ATOM 349 CA LYS A 22 1.196 -8.041 -9.466 1.00 10.12 C ATOM 350 C LYS A 22 1.099 -7.897 -10.986 1.00 13.21 C ATOM 351 O LYS A 22 0.322 -7.085 -11.488 1.00 23.44 O ATOM 352 CB LYS A 22 1.145 -6.708 -8.717 1.00 53.41 C ATOM 353 CG LYS A 22 1.778 -6.833 -7.330 1.00 34.13 C ATOM 354 CD LYS A 22 1.625 -5.533 -6.538 1.00 12.12 C ATOM 355 CE LYS A 22 0.369 -5.567 -5.664 1.00 62.33 C ATOM 356 NZ LYS A 22 -0.123 -4.195 -5.410 1.00 1.11 N ATOM 0 H LYS A 22 3.229 -8.180 -8.982 1.00 25.41 H new ATOM 0 HA LYS A 22 0.316 -8.596 -9.142 1.00 10.12 H new ATOM 0 HB2 LYS A 22 1.668 -5.944 -9.292 1.00 53.41 H new ATOM 0 HB3 LYS A 22 0.110 -6.381 -8.620 1.00 53.41 H new ATOM 0 HG2 LYS A 22 1.309 -7.652 -6.785 1.00 34.13 H new ATOM 0 HG3 LYS A 22 2.835 -7.080 -7.430 1.00 34.13 H new ATOM 0 HD2 LYS A 22 2.504 -5.379 -5.912 1.00 12.12 H new ATOM 0 HD3 LYS A 22 1.571 -4.689 -7.225 1.00 12.12 H new ATOM 0 HE2 LYS A 22 -0.408 -6.153 -6.156 1.00 62.33 H new ATOM 0 HE3 LYS A 22 0.590 -6.061 -4.718 1.00 62.33 H new ATOM 0 HZ1 LYS A 22 -0.975 -4.236 -4.816 1.00 1.11 H new ATOM 0 HZ2 LYS A 22 0.614 -3.647 -4.921 1.00 1.11 H new ATOM 0 HZ3 LYS A 22 -0.353 -3.736 -6.314 1.00 1.11 H new ATOM 369 N VAL A 23 1.898 -8.697 -11.676 1.00 53.14 N ATOM 370 CA VAL A 23 1.911 -8.669 -13.129 1.00 44.31 C ATOM 371 C VAL A 23 1.437 -10.021 -13.666 1.00 13.44 C ATOM 372 O VAL A 23 0.717 -10.079 -14.661 1.00 61.34 O ATOM 373 CB VAL A 23 3.304 -8.281 -13.632 1.00 33.51 C ATOM 374 CG1 VAL A 23 4.392 -8.824 -12.704 1.00 22.12 C ATOM 375 CG2 VAL A 23 3.520 -8.759 -15.069 1.00 70.32 C ATOM 0 H VAL A 23 2.541 -9.368 -11.256 1.00 53.14 H new ATOM 0 HA VAL A 23 1.222 -7.912 -13.502 1.00 44.31 H new ATOM 0 HB VAL A 23 3.372 -7.193 -13.627 1.00 33.51 H new ATOM 0 HG11 VAL A 23 5.372 -8.535 -13.084 1.00 22.12 H new ATOM 0 HG12 VAL A 23 4.255 -8.414 -11.703 1.00 22.12 H new ATOM 0 HG13 VAL A 23 4.326 -9.911 -12.663 1.00 22.12 H new ATOM 0 HG21 VAL A 23 4.517 -8.471 -15.402 1.00 70.32 H new ATOM 0 HG22 VAL A 23 3.423 -9.844 -15.110 1.00 70.32 H new ATOM 0 HG23 VAL A 23 2.774 -8.303 -15.720 1.00 70.32 H new ATOM 385 N TRP A 24 1.859 -11.074 -12.982 1.00 11.13 N ATOM 386 CA TRP A 24 1.486 -12.422 -13.377 1.00 51.50 C ATOM 387 C TRP A 24 -0.012 -12.425 -13.688 1.00 32.52 C ATOM 388 O TRP A 24 -0.759 -11.596 -13.172 1.00 11.44 O ATOM 389 CB TRP A 24 1.876 -13.436 -12.301 1.00 32.34 C ATOM 390 CG TRP A 24 3.367 -13.438 -11.958 1.00 60.42 C ATOM 391 CD1 TRP A 24 4.340 -12.694 -12.503 1.00 34.44 C ATOM 392 CD2 TRP A 24 4.020 -14.257 -10.965 1.00 61.55 C ATOM 393 NE1 TRP A 24 5.567 -12.973 -11.936 1.00 13.22 N ATOM 394 CE2 TRP A 24 5.366 -13.953 -10.971 1.00 61.53 C ATOM 395 CE3 TRP A 24 3.491 -15.223 -10.091 1.00 71.23 C ATOM 396 CZ2 TRP A 24 6.295 -14.570 -10.124 1.00 50.14 C ATOM 397 CZ3 TRP A 24 4.432 -15.830 -9.251 1.00 62.24 C ATOM 398 CH2 TRP A 24 5.791 -15.535 -9.245 1.00 75.50 C ATOM 0 H TRP A 24 2.456 -11.021 -12.156 1.00 11.13 H new ATOM 0 HA TRP A 24 2.028 -12.726 -14.272 1.00 51.50 H new ATOM 0 HB2 TRP A 24 1.306 -13.227 -11.396 1.00 32.34 H new ATOM 0 HB3 TRP A 24 1.589 -14.433 -12.635 1.00 32.34 H new ATOM 0 HD1 TRP A 24 4.183 -11.968 -13.287 1.00 34.44 H new ATOM 0 HE1 TRP A 24 6.458 -12.540 -12.180 1.00 13.22 H new ATOM 0 HE3 TRP A 24 2.441 -15.477 -10.069 1.00 71.23 H new ATOM 0 HZ2 TRP A 24 7.344 -14.315 -10.148 1.00 50.14 H new ATOM 0 HZ3 TRP A 24 4.078 -16.580 -8.559 1.00 62.24 H new ATOM 0 HH2 TRP A 24 6.454 -16.048 -8.565 1.00 75.50 H new ATOM 409 N ASN A 25 -0.407 -13.369 -14.530 1.00 62.01 N ATOM 410 CA ASN A 25 -1.802 -13.492 -14.916 1.00 33.01 C ATOM 411 C ASN A 25 -2.368 -14.799 -14.357 1.00 70.21 C ATOM 412 O ASN A 25 -1.692 -15.503 -13.608 1.00 43.53 O ATOM 413 CB ASN A 25 -1.952 -13.524 -16.438 1.00 71.51 C ATOM 414 CG ASN A 25 -1.083 -14.624 -17.051 1.00 63.03 C ATOM 415 OD1 ASN A 25 -0.085 -15.047 -16.491 1.00 45.34 O ATOM 416 ND2 ASN A 25 -1.516 -15.062 -18.230 1.00 20.01 N ATOM 0 H ASN A 25 0.215 -14.056 -14.956 1.00 62.01 H new ATOM 0 HA ASN A 25 -2.339 -12.630 -14.519 1.00 33.01 H new ATOM 0 HB2 ASN A 25 -2.996 -13.692 -16.701 1.00 71.51 H new ATOM 0 HB3 ASN A 25 -1.670 -12.557 -16.855 1.00 71.51 H new ATOM 0 HD21 ASN A 25 -1.004 -15.795 -18.721 1.00 20.01 H new ATOM 0 HD22 ASN A 25 -2.360 -14.665 -18.643 1.00 20.01 H new ATOM 423 N PHE A 26 -3.603 -15.085 -14.743 1.00 1.12 N ATOM 424 CA PHE A 26 -4.267 -16.295 -14.290 1.00 34.12 C ATOM 425 C PHE A 26 -3.496 -17.541 -14.729 1.00 71.41 C ATOM 426 O PHE A 26 -3.538 -18.571 -14.057 1.00 40.30 O ATOM 427 CB PHE A 26 -5.654 -16.313 -14.937 1.00 24.22 C ATOM 428 CG PHE A 26 -5.667 -16.868 -16.363 1.00 15.22 C ATOM 429 CD1 PHE A 26 -5.843 -18.200 -16.573 1.00 32.14 C ATOM 430 CD2 PHE A 26 -5.504 -16.029 -17.420 1.00 50.34 C ATOM 431 CE1 PHE A 26 -5.856 -18.715 -17.896 1.00 0.21 C ATOM 432 CE2 PHE A 26 -5.517 -16.543 -18.744 1.00 22.42 C ATOM 433 CZ PHE A 26 -5.693 -17.876 -18.954 1.00 5.44 C ATOM 0 H PHE A 26 -4.161 -14.499 -15.364 1.00 1.12 H new ATOM 0 HA PHE A 26 -4.326 -16.302 -13.202 1.00 34.12 H new ATOM 0 HB2 PHE A 26 -6.324 -16.910 -14.319 1.00 24.22 H new ATOM 0 HB3 PHE A 26 -6.051 -15.298 -14.949 1.00 24.22 H new ATOM 0 HD1 PHE A 26 -5.973 -18.866 -15.733 1.00 32.14 H new ATOM 0 HD2 PHE A 26 -5.365 -14.971 -17.253 1.00 50.34 H new ATOM 0 HE1 PHE A 26 -5.995 -19.773 -18.062 1.00 0.21 H new ATOM 0 HE2 PHE A 26 -5.387 -15.876 -19.584 1.00 22.42 H new ATOM 0 HZ PHE A 26 -5.703 -18.268 -19.960 1.00 5.44 H new ATOM 443 N ASP A 27 -2.810 -17.407 -15.855 1.00 21.45 N ATOM 444 CA ASP A 27 -2.030 -18.510 -16.392 1.00 14.24 C ATOM 445 C ASP A 27 -0.783 -18.714 -15.530 1.00 21.04 C ATOM 446 O ASP A 27 -0.623 -19.758 -14.900 1.00 34.44 O ATOM 447 CB ASP A 27 -1.574 -18.216 -17.822 1.00 22.11 C ATOM 448 CG ASP A 27 -1.089 -19.435 -18.609 1.00 75.23 C ATOM 449 OD1 ASP A 27 -1.690 -20.518 -18.543 1.00 22.11 O ATOM 450 OD2 ASP A 27 -0.034 -19.238 -19.324 1.00 71.25 O ATOM 0 H ASP A 27 -2.778 -16.552 -16.410 1.00 21.45 H new ATOM 0 HA ASP A 27 -2.658 -19.401 -16.390 1.00 14.24 H new ATOM 0 HB2 ASP A 27 -2.401 -17.758 -18.364 1.00 22.11 H new ATOM 0 HB3 ASP A 27 -0.770 -17.481 -17.787 1.00 22.11 H new ATOM 456 N ASP A 28 0.070 -17.700 -15.530 1.00 12.04 N ATOM 457 CA ASP A 28 1.298 -17.755 -14.755 1.00 62.14 C ATOM 458 C ASP A 28 0.965 -18.093 -13.301 1.00 74.40 C ATOM 459 O ASP A 28 1.739 -18.768 -12.624 1.00 15.04 O ATOM 460 CB ASP A 28 2.021 -16.407 -14.773 1.00 65.13 C ATOM 461 CG ASP A 28 2.737 -16.075 -16.084 1.00 5.31 C ATOM 462 OD1 ASP A 28 3.301 -14.982 -16.245 1.00 11.25 O ATOM 463 OD2 ASP A 28 2.702 -17.006 -16.976 1.00 55.20 O ATOM 0 H ASP A 28 -0.065 -16.836 -16.054 1.00 12.04 H new ATOM 0 HA ASP A 28 1.941 -18.516 -15.197 1.00 62.14 H new ATOM 0 HB2 ASP A 28 1.296 -15.620 -14.563 1.00 65.13 H new ATOM 0 HB3 ASP A 28 2.751 -16.392 -13.964 1.00 65.13 H new ATOM 469 N LEU A 29 -0.189 -17.609 -12.864 1.00 24.21 N ATOM 470 CA LEU A 29 -0.634 -17.852 -11.502 1.00 52.23 C ATOM 471 C LEU A 29 -0.769 -19.359 -11.275 1.00 41.12 C ATOM 472 O LEU A 29 -0.071 -19.929 -10.438 1.00 14.23 O ATOM 473 CB LEU A 29 -1.916 -17.069 -11.211 1.00 0.15 C ATOM 474 CG LEU A 29 -2.786 -17.607 -10.073 1.00 11.33 C ATOM 475 CD1 LEU A 29 -1.948 -17.873 -8.821 1.00 13.25 C ATOM 476 CD2 LEU A 29 -3.959 -16.667 -9.788 1.00 53.22 C ATOM 0 H LEU A 29 -0.829 -17.050 -13.429 1.00 24.21 H new ATOM 0 HA LEU A 29 0.105 -17.487 -10.788 1.00 52.23 H new ATOM 0 HB2 LEU A 29 -1.645 -16.039 -10.979 1.00 0.15 H new ATOM 0 HB3 LEU A 29 -2.517 -17.043 -12.120 1.00 0.15 H new ATOM 0 HG LEU A 29 -3.207 -18.562 -10.388 1.00 11.33 H new ATOM 0 HD11 LEU A 29 -2.590 -18.255 -8.027 1.00 13.25 H new ATOM 0 HD12 LEU A 29 -1.177 -18.609 -9.049 1.00 13.25 H new ATOM 0 HD13 LEU A 29 -1.479 -16.945 -8.493 1.00 13.25 H new ATOM 0 HD21 LEU A 29 -4.561 -17.073 -8.975 1.00 53.22 H new ATOM 0 HD22 LEU A 29 -3.578 -15.686 -9.503 1.00 53.22 H new ATOM 0 HD23 LEU A 29 -4.574 -16.571 -10.683 1.00 53.22 H new ATOM 488 N ILE A 30 -1.671 -19.961 -12.036 1.00 62.32 N ATOM 489 CA ILE A 30 -1.906 -21.391 -11.928 1.00 60.25 C ATOM 490 C ILE A 30 -0.577 -22.135 -12.076 1.00 1.33 C ATOM 491 O ILE A 30 -0.270 -23.028 -11.287 1.00 54.42 O ATOM 492 CB ILE A 30 -2.973 -21.836 -12.930 1.00 55.54 C ATOM 493 CG1 ILE A 30 -4.339 -21.243 -12.576 1.00 21.14 C ATOM 494 CG2 ILE A 30 -3.021 -23.361 -13.040 1.00 54.10 C ATOM 495 CD1 ILE A 30 -4.848 -21.798 -11.244 1.00 1.13 C ATOM 0 H ILE A 30 -2.248 -19.485 -12.730 1.00 62.32 H new ATOM 0 HA ILE A 30 -2.303 -21.638 -10.943 1.00 60.25 H new ATOM 0 HB ILE A 30 -2.700 -21.451 -13.913 1.00 55.54 H new ATOM 0 HG12 ILE A 30 -4.264 -20.157 -12.517 1.00 21.14 H new ATOM 0 HG13 ILE A 30 -5.054 -21.471 -13.366 1.00 21.14 H new ATOM 0 HG21 ILE A 30 -3.788 -23.650 -13.759 1.00 54.10 H new ATOM 0 HG22 ILE A 30 -2.052 -23.732 -13.374 1.00 54.10 H new ATOM 0 HG23 ILE A 30 -3.257 -23.789 -12.066 1.00 54.10 H new ATOM 0 HD11 ILE A 30 -5.820 -21.361 -11.015 1.00 1.13 H new ATOM 0 HD12 ILE A 30 -4.945 -22.881 -11.314 1.00 1.13 H new ATOM 0 HD13 ILE A 30 -4.142 -21.548 -10.452 1.00 1.13 H new ATOM 507 N MET A 31 0.177 -21.739 -13.091 1.00 54.10 N ATOM 508 CA MET A 31 1.466 -22.357 -13.352 1.00 13.43 C ATOM 509 C MET A 31 2.415 -22.165 -12.167 1.00 61.12 C ATOM 510 O MET A 31 3.247 -23.027 -11.888 1.00 61.03 O ATOM 511 CB MET A 31 2.084 -21.738 -14.607 1.00 0.20 C ATOM 512 CG MET A 31 1.159 -21.906 -15.814 1.00 33.21 C ATOM 513 SD MET A 31 1.565 -20.702 -17.067 1.00 15.51 S ATOM 514 CE MET A 31 2.817 -21.600 -17.966 1.00 44.05 C ATOM 0 H MET A 31 -0.080 -20.998 -13.743 1.00 54.10 H new ATOM 0 HA MET A 31 1.313 -23.426 -13.501 1.00 13.43 H new ATOM 0 HB2 MET A 31 2.277 -20.679 -14.437 1.00 0.20 H new ATOM 0 HB3 MET A 31 3.046 -22.208 -14.813 1.00 0.20 H new ATOM 0 HG2 MET A 31 1.257 -22.913 -16.220 1.00 33.21 H new ATOM 0 HG3 MET A 31 0.120 -21.786 -15.506 1.00 33.21 H new ATOM 0 HE1 MET A 31 3.182 -20.988 -18.791 1.00 44.05 H new ATOM 0 HE2 MET A 31 3.644 -21.839 -17.297 1.00 44.05 H new ATOM 0 HE3 MET A 31 2.391 -22.522 -18.360 1.00 44.05 H new ATOM 524 N ALA A 32 2.259 -21.030 -11.502 1.00 52.12 N ATOM 525 CA ALA A 32 3.092 -20.714 -10.354 1.00 73.22 C ATOM 526 C ALA A 32 2.888 -21.778 -9.274 1.00 23.40 C ATOM 527 O ALA A 32 3.853 -22.370 -8.791 1.00 14.33 O ATOM 528 CB ALA A 32 2.761 -19.306 -9.855 1.00 61.21 C ATOM 0 H ALA A 32 1.568 -20.317 -11.736 1.00 52.12 H new ATOM 0 HA ALA A 32 4.146 -20.722 -10.631 1.00 73.22 H new ATOM 0 HB1 ALA A 32 3.386 -19.069 -8.994 1.00 61.21 H new ATOM 0 HB2 ALA A 32 2.950 -18.585 -10.650 1.00 61.21 H new ATOM 0 HB3 ALA A 32 1.711 -19.260 -9.565 1.00 61.21 H new ATOM 534 N ILE A 33 1.627 -21.990 -8.927 1.00 4.03 N ATOM 535 CA ILE A 33 1.285 -22.973 -7.913 1.00 1.45 C ATOM 536 C ILE A 33 1.655 -24.369 -8.416 1.00 64.12 C ATOM 537 O ILE A 33 2.148 -25.198 -7.652 1.00 41.15 O ATOM 538 CB ILE A 33 -0.184 -22.835 -7.507 1.00 4.42 C ATOM 539 CG1 ILE A 33 -0.406 -21.570 -6.675 1.00 52.43 C ATOM 540 CG2 ILE A 33 -0.673 -24.090 -6.782 1.00 64.21 C ATOM 541 CD1 ILE A 33 -0.506 -20.334 -7.573 1.00 32.34 C ATOM 0 H ILE A 33 0.830 -21.498 -9.330 1.00 4.03 H new ATOM 0 HA ILE A 33 1.861 -22.799 -7.004 1.00 1.45 H new ATOM 0 HB ILE A 33 -0.781 -22.734 -8.414 1.00 4.42 H new ATOM 0 HG12 ILE A 33 -1.319 -21.672 -6.088 1.00 52.43 H new ATOM 0 HG13 ILE A 33 0.415 -21.446 -5.969 1.00 52.43 H new ATOM 0 HG21 ILE A 33 -1.720 -23.965 -6.505 1.00 64.21 H new ATOM 0 HG22 ILE A 33 -0.572 -24.953 -7.440 1.00 64.21 H new ATOM 0 HG23 ILE A 33 -0.076 -24.247 -5.884 1.00 64.21 H new ATOM 0 HD11 ILE A 33 -0.664 -19.449 -6.957 1.00 32.34 H new ATOM 0 HD12 ILE A 33 0.417 -20.221 -8.141 1.00 32.34 H new ATOM 0 HD13 ILE A 33 -1.343 -20.451 -8.261 1.00 32.34 H new ATOM 553 N ASN A 34 1.404 -24.587 -9.699 1.00 13.24 N ATOM 554 CA ASN A 34 1.704 -25.869 -10.313 1.00 44.43 C ATOM 555 C ASN A 34 3.221 -26.059 -10.369 1.00 24.32 C ATOM 556 O ASN A 34 3.704 -27.171 -10.579 1.00 74.25 O ATOM 557 CB ASN A 34 1.167 -25.933 -11.744 1.00 42.23 C ATOM 558 CG ASN A 34 -0.321 -26.286 -11.756 1.00 15.11 C ATOM 559 OD1 ASN A 34 -1.019 -25.722 -10.774 1.00 20.42 O flip ATOM 560 ND2 ASN A 34 -0.805 -27.021 -12.601 1.00 23.44 N flip ATOM 0 H ASN A 34 0.996 -23.897 -10.330 1.00 13.24 H new ATOM 0 HA ASN A 34 1.232 -26.649 -9.715 1.00 44.43 H new ATOM 0 HB2 ASN A 34 1.321 -24.973 -12.237 1.00 42.23 H new ATOM 0 HB3 ASN A 34 1.725 -26.677 -12.313 1.00 42.23 H new ATOM 0 HD21 ASN A 34 -0.213 -27.421 -13.328 1.00 23.44 H new ATOM 0 HD22 ASN A 34 -1.802 -27.235 -12.580 1.00 23.44 H new ATOM 567 N SER A 35 3.932 -24.958 -10.176 1.00 53.40 N ATOM 568 CA SER A 35 5.384 -24.990 -10.201 1.00 42.55 C ATOM 569 C SER A 35 5.927 -25.225 -8.791 1.00 22.53 C ATOM 570 O SER A 35 6.915 -25.937 -8.613 1.00 11.44 O ATOM 571 CB SER A 35 5.953 -23.692 -10.779 1.00 65.43 C ATOM 572 OG SER A 35 7.288 -23.454 -10.341 1.00 44.54 O ATOM 0 H SER A 35 3.529 -24.037 -10.001 1.00 53.40 H new ATOM 0 HA SER A 35 5.697 -25.812 -10.845 1.00 42.55 H new ATOM 0 HB2 SER A 35 5.931 -23.740 -11.868 1.00 65.43 H new ATOM 0 HB3 SER A 35 5.320 -22.855 -10.484 1.00 65.43 H new ATOM 0 HG SER A 35 7.616 -22.618 -10.732 1.00 44.54 H new ATOM 578 N LYS A 36 5.258 -24.615 -7.824 1.00 31.02 N ATOM 579 CA LYS A 36 5.661 -24.750 -6.434 1.00 51.33 C ATOM 580 C LYS A 36 5.278 -26.142 -5.929 1.00 63.45 C ATOM 581 O LYS A 36 5.996 -26.734 -5.124 1.00 41.43 O ATOM 582 CB LYS A 36 5.079 -23.610 -5.595 1.00 24.20 C ATOM 583 CG LYS A 36 6.082 -22.463 -5.459 1.00 3.34 C ATOM 584 CD LYS A 36 6.697 -22.108 -6.814 1.00 51.30 C ATOM 585 CE LYS A 36 7.397 -20.749 -6.759 1.00 44.43 C ATOM 586 NZ LYS A 36 7.268 -20.046 -8.056 1.00 21.33 N ATOM 0 H LYS A 36 4.439 -24.026 -7.975 1.00 31.02 H new ATOM 0 HA LYS A 36 6.744 -24.664 -6.341 1.00 51.33 H new ATOM 0 HB2 LYS A 36 4.163 -23.244 -6.058 1.00 24.20 H new ATOM 0 HB3 LYS A 36 4.810 -23.982 -4.606 1.00 24.20 H new ATOM 0 HG2 LYS A 36 5.584 -21.588 -5.041 1.00 3.34 H new ATOM 0 HG3 LYS A 36 6.870 -22.745 -4.761 1.00 3.34 H new ATOM 0 HD2 LYS A 36 7.412 -22.878 -7.106 1.00 51.30 H new ATOM 0 HD3 LYS A 36 5.919 -22.090 -7.577 1.00 51.30 H new ATOM 0 HE2 LYS A 36 6.963 -20.142 -5.965 1.00 44.43 H new ATOM 0 HE3 LYS A 36 8.451 -20.886 -6.516 1.00 44.43 H new ATOM 0 HZ1 LYS A 36 7.749 -19.125 -8.001 1.00 21.33 H new ATOM 0 HZ2 LYS A 36 7.703 -20.620 -8.807 1.00 21.33 H new ATOM 0 HZ3 LYS A 36 6.261 -19.899 -8.272 1.00 21.33 H new ATOM 599 N ILE A 37 4.148 -26.626 -6.424 1.00 22.24 N ATOM 600 CA ILE A 37 3.662 -27.938 -6.033 1.00 34.33 C ATOM 601 C ILE A 37 4.148 -28.979 -7.043 1.00 75.50 C ATOM 602 O ILE A 37 3.900 -30.173 -6.877 1.00 44.04 O ATOM 603 CB ILE A 37 2.142 -27.915 -5.856 1.00 20.52 C ATOM 604 CG1 ILE A 37 1.431 -28.149 -7.190 1.00 41.45 C ATOM 605 CG2 ILE A 37 1.688 -26.618 -5.183 1.00 72.43 C ATOM 606 CD1 ILE A 37 -0.087 -28.194 -7.003 1.00 24.45 C ATOM 0 H ILE A 37 3.555 -26.133 -7.092 1.00 22.24 H new ATOM 0 HA ILE A 37 4.069 -28.221 -5.062 1.00 34.33 H new ATOM 0 HB ILE A 37 1.862 -28.735 -5.195 1.00 20.52 H new ATOM 0 HG12 ILE A 37 1.691 -27.354 -7.889 1.00 41.45 H new ATOM 0 HG13 ILE A 37 1.775 -29.085 -7.630 1.00 41.45 H new ATOM 0 HG21 ILE A 37 0.604 -26.627 -5.069 1.00 72.43 H new ATOM 0 HG22 ILE A 37 2.155 -26.534 -4.202 1.00 72.43 H new ATOM 0 HG23 ILE A 37 1.981 -25.767 -5.798 1.00 72.43 H new ATOM 0 HD11 ILE A 37 -0.568 -28.361 -7.967 1.00 24.45 H new ATOM 0 HD12 ILE A 37 -0.346 -29.005 -6.323 1.00 24.45 H new ATOM 0 HD13 ILE A 37 -0.430 -27.247 -6.586 1.00 24.45 H new ATOM 618 N SER A 38 4.830 -28.490 -8.068 1.00 10.45 N ATOM 619 CA SER A 38 5.353 -29.363 -9.105 1.00 12.34 C ATOM 620 C SER A 38 6.046 -30.571 -8.471 1.00 52.13 C ATOM 621 O SER A 38 6.148 -31.628 -9.091 1.00 72.25 O ATOM 622 CB SER A 38 6.324 -28.613 -10.018 1.00 51.53 C ATOM 623 OG SER A 38 7.684 -28.870 -9.679 1.00 33.43 O ATOM 0 H SER A 38 5.033 -27.499 -8.203 1.00 10.45 H new ATOM 0 HA SER A 38 4.518 -29.709 -9.714 1.00 12.34 H new ATOM 0 HB2 SER A 38 6.147 -28.905 -11.053 1.00 51.53 H new ATOM 0 HB3 SER A 38 6.130 -27.542 -9.952 1.00 51.53 H new ATOM 0 HG SER A 38 8.272 -28.374 -10.286 1.00 33.43 H new ATOM 704 N PRO A 44 -0.956 -32.702 -10.360 1.00 0.30 N ATOM 705 CA PRO A 44 -1.104 -31.436 -9.662 1.00 22.25 C ATOM 706 C PRO A 44 -2.556 -30.955 -9.701 1.00 4.35 C ATOM 707 O PRO A 44 -3.466 -31.737 -9.971 1.00 3.34 O ATOM 708 CB PRO A 44 -0.144 -30.487 -10.360 1.00 51.20 C ATOM 709 CG PRO A 44 0.160 -31.119 -11.709 1.00 31.04 C ATOM 710 CD PRO A 44 -0.317 -32.562 -11.665 1.00 43.31 C ATOM 0 HA PRO A 44 -0.867 -31.510 -8.601 1.00 22.25 H new ATOM 0 HB2 PRO A 44 -0.590 -29.500 -10.483 1.00 51.20 H new ATOM 0 HB3 PRO A 44 0.767 -30.354 -9.777 1.00 51.20 H new ATOM 0 HG2 PRO A 44 -0.343 -30.575 -12.508 1.00 31.04 H new ATOM 0 HG3 PRO A 44 1.229 -31.076 -11.919 1.00 31.04 H new ATOM 0 HD2 PRO A 44 -1.017 -32.772 -12.473 1.00 43.31 H new ATOM 0 HD3 PRO A 44 0.515 -33.258 -11.775 1.00 43.31 H new ATOM 718 N ILE A 45 -2.727 -29.670 -9.427 1.00 2.30 N ATOM 719 CA ILE A 45 -4.052 -29.074 -9.428 1.00 34.54 C ATOM 720 C ILE A 45 -4.137 -28.030 -10.542 1.00 10.51 C ATOM 721 O ILE A 45 -3.327 -27.105 -10.594 1.00 33.04 O ATOM 722 CB ILE A 45 -4.393 -28.524 -8.041 1.00 72.22 C ATOM 723 CG1 ILE A 45 -3.134 -28.042 -7.318 1.00 11.00 C ATOM 724 CG2 ILE A 45 -5.168 -29.555 -7.218 1.00 12.34 C ATOM 725 CD1 ILE A 45 -2.556 -26.797 -7.994 1.00 70.33 C ATOM 0 H ILE A 45 -1.969 -29.025 -9.203 1.00 2.30 H new ATOM 0 HA ILE A 45 -4.809 -29.829 -9.641 1.00 34.54 H new ATOM 0 HB ILE A 45 -5.043 -27.658 -8.167 1.00 72.22 H new ATOM 0 HG12 ILE A 45 -3.371 -27.818 -6.278 1.00 11.00 H new ATOM 0 HG13 ILE A 45 -2.388 -28.836 -7.311 1.00 11.00 H new ATOM 0 HG21 ILE A 45 -5.398 -29.139 -6.237 1.00 12.34 H new ATOM 0 HG22 ILE A 45 -6.096 -29.807 -7.732 1.00 12.34 H new ATOM 0 HG23 ILE A 45 -4.563 -30.454 -7.098 1.00 12.34 H new ATOM 0 HD11 ILE A 45 -1.662 -26.475 -7.460 1.00 70.33 H new ATOM 0 HD12 ILE A 45 -2.298 -27.031 -9.027 1.00 70.33 H new ATOM 0 HD13 ILE A 45 -3.296 -25.997 -7.977 1.00 70.33 H new ATOM 737 N THR A 46 -5.124 -28.211 -11.406 1.00 75.53 N ATOM 738 CA THR A 46 -5.325 -27.296 -12.517 1.00 15.14 C ATOM 739 C THR A 46 -6.349 -26.222 -12.143 1.00 52.15 C ATOM 740 O THR A 46 -6.701 -25.381 -12.969 1.00 41.23 O ATOM 741 CB THR A 46 -5.728 -28.119 -13.742 1.00 23.44 C ATOM 742 OG1 THR A 46 -7.091 -28.458 -13.500 1.00 25.31 O ATOM 743 CG2 THR A 46 -5.012 -29.471 -13.799 1.00 54.34 C ATOM 0 H THR A 46 -5.794 -28.978 -11.359 1.00 75.53 H new ATOM 0 HA THR A 46 -4.408 -26.758 -12.757 1.00 15.14 H new ATOM 0 HB THR A 46 -5.509 -27.553 -14.648 1.00 23.44 H new ATOM 0 HG1 THR A 46 -7.433 -28.992 -14.247 1.00 25.31 H new ATOM 0 HG21 THR A 46 -5.333 -30.016 -14.687 1.00 54.34 H new ATOM 0 HG22 THR A 46 -3.935 -29.311 -13.842 1.00 54.34 H new ATOM 0 HG23 THR A 46 -5.258 -30.051 -12.909 1.00 54.34 H new ATOM 751 N LYS A 47 -6.799 -26.285 -10.899 1.00 23.32 N ATOM 752 CA LYS A 47 -7.775 -25.329 -10.406 1.00 52.41 C ATOM 753 C LYS A 47 -7.455 -24.983 -8.951 1.00 4.14 C ATOM 754 O LYS A 47 -7.126 -25.864 -8.158 1.00 10.25 O ATOM 755 CB LYS A 47 -9.196 -25.858 -10.614 1.00 43.30 C ATOM 756 CG LYS A 47 -9.429 -27.134 -9.804 1.00 33.51 C ATOM 757 CD LYS A 47 -9.986 -26.809 -8.416 1.00 64.22 C ATOM 758 CE LYS A 47 -11.511 -26.693 -8.450 1.00 43.24 C ATOM 759 NZ LYS A 47 -12.122 -27.991 -8.813 1.00 24.34 N ATOM 0 H LYS A 47 -6.505 -26.984 -10.217 1.00 23.32 H new ATOM 0 HA LYS A 47 -7.719 -24.401 -10.974 1.00 52.41 H new ATOM 0 HB2 LYS A 47 -9.918 -25.097 -10.317 1.00 43.30 H new ATOM 0 HB3 LYS A 47 -9.362 -26.059 -11.672 1.00 43.30 H new ATOM 0 HG2 LYS A 47 -10.124 -27.784 -10.335 1.00 33.51 H new ATOM 0 HG3 LYS A 47 -8.492 -27.682 -9.705 1.00 33.51 H new ATOM 0 HD2 LYS A 47 -9.693 -27.587 -7.711 1.00 64.22 H new ATOM 0 HD3 LYS A 47 -9.555 -25.875 -8.057 1.00 64.22 H new ATOM 0 HE2 LYS A 47 -11.879 -26.371 -7.476 1.00 43.24 H new ATOM 0 HE3 LYS A 47 -11.808 -25.931 -9.170 1.00 43.24 H new ATOM 0 HZ1 LYS A 47 -13.065 -28.064 -8.380 1.00 24.34 H new ATOM 0 HZ2 LYS A 47 -12.210 -28.056 -9.847 1.00 24.34 H new ATOM 0 HZ3 LYS A 47 -11.521 -28.766 -8.467 1.00 24.34 H new ATOM 772 N ILE A 48 -7.561 -23.698 -8.644 1.00 33.53 N ATOM 773 CA ILE A 48 -7.287 -23.225 -7.297 1.00 62.45 C ATOM 774 C ILE A 48 -8.478 -22.407 -6.796 1.00 54.24 C ATOM 775 O ILE A 48 -9.105 -21.681 -7.567 1.00 12.15 O ATOM 776 CB ILE A 48 -5.959 -22.467 -7.257 1.00 2.25 C ATOM 777 CG1 ILE A 48 -6.017 -21.212 -8.131 1.00 23.43 C ATOM 778 CG2 ILE A 48 -4.793 -23.380 -7.641 1.00 74.55 C ATOM 779 CD1 ILE A 48 -4.741 -20.381 -7.982 1.00 63.21 C ATOM 0 H ILE A 48 -7.833 -22.970 -9.305 1.00 33.53 H new ATOM 0 HA ILE A 48 -7.169 -24.066 -6.614 1.00 62.45 H new ATOM 0 HB ILE A 48 -5.785 -22.138 -6.232 1.00 2.25 H new ATOM 0 HG12 ILE A 48 -6.150 -21.497 -9.175 1.00 23.43 H new ATOM 0 HG13 ILE A 48 -6.882 -20.610 -7.852 1.00 23.43 H new ATOM 0 HG21 ILE A 48 -3.861 -22.815 -7.604 1.00 74.55 H new ATOM 0 HG22 ILE A 48 -4.739 -24.215 -6.942 1.00 74.55 H new ATOM 0 HG23 ILE A 48 -4.947 -23.761 -8.651 1.00 74.55 H new ATOM 0 HD11 ILE A 48 -4.808 -19.495 -8.613 1.00 63.21 H new ATOM 0 HD12 ILE A 48 -4.624 -20.077 -6.942 1.00 63.21 H new ATOM 0 HD13 ILE A 48 -3.881 -20.978 -8.285 1.00 63.21 H new ATOM 791 N LYS A 49 -8.755 -22.551 -5.509 1.00 31.32 N ATOM 792 CA LYS A 49 -9.860 -21.834 -4.896 1.00 33.32 C ATOM 793 C LYS A 49 -9.308 -20.774 -3.941 1.00 62.10 C ATOM 794 O LYS A 49 -8.986 -21.075 -2.793 1.00 12.05 O ATOM 795 CB LYS A 49 -10.832 -22.813 -4.233 1.00 3.24 C ATOM 796 CG LYS A 49 -12.272 -22.306 -4.329 1.00 10.30 C ATOM 797 CD LYS A 49 -13.222 -23.198 -3.528 1.00 73.32 C ATOM 798 CE LYS A 49 -13.640 -24.424 -4.343 1.00 24.44 C ATOM 799 NZ LYS A 49 -14.822 -25.073 -3.733 1.00 60.44 N ATOM 0 H LYS A 49 -8.233 -23.154 -4.873 1.00 31.32 H new ATOM 0 HA LYS A 49 -10.440 -21.309 -5.654 1.00 33.32 H new ATOM 0 HB2 LYS A 49 -10.754 -23.789 -4.712 1.00 3.24 H new ATOM 0 HB3 LYS A 49 -10.560 -22.949 -3.186 1.00 3.24 H new ATOM 0 HG2 LYS A 49 -12.327 -21.283 -3.956 1.00 10.30 H new ATOM 0 HG3 LYS A 49 -12.584 -22.282 -5.373 1.00 10.30 H new ATOM 0 HD2 LYS A 49 -12.736 -23.518 -2.606 1.00 73.32 H new ATOM 0 HD3 LYS A 49 -14.106 -22.629 -3.241 1.00 73.32 H new ATOM 0 HE2 LYS A 49 -13.869 -24.127 -5.367 1.00 24.44 H new ATOM 0 HE3 LYS A 49 -12.814 -25.133 -4.394 1.00 24.44 H new ATOM 0 HZ1 LYS A 49 -15.093 -25.903 -4.298 1.00 60.44 H new ATOM 0 HZ2 LYS A 49 -14.592 -25.374 -2.764 1.00 60.44 H new ATOM 0 HZ3 LYS A 49 -15.613 -24.399 -3.707 1.00 60.44 H new ATOM 812 N TYR A 50 -9.215 -19.555 -4.451 1.00 65.05 N ATOM 813 CA TYR A 50 -8.706 -18.448 -3.659 1.00 35.55 C ATOM 814 C TYR A 50 -9.810 -17.847 -2.786 1.00 20.23 C ATOM 815 O TYR A 50 -10.988 -17.920 -3.131 1.00 34.31 O ATOM 816 CB TYR A 50 -8.234 -17.394 -4.661 1.00 2.42 C ATOM 817 CG TYR A 50 -9.351 -16.489 -5.186 1.00 23.42 C ATOM 818 CD1 TYR A 50 -10.175 -16.930 -6.201 1.00 51.22 C ATOM 819 CD2 TYR A 50 -9.534 -15.233 -4.644 1.00 20.31 C ATOM 820 CE1 TYR A 50 -11.226 -16.079 -6.695 1.00 54.23 C ATOM 821 CE2 TYR A 50 -10.585 -14.382 -5.138 1.00 73.30 C ATOM 822 CZ TYR A 50 -11.380 -14.847 -6.139 1.00 64.04 C ATOM 823 OH TYR A 50 -12.372 -14.043 -6.606 1.00 74.31 O ATOM 0 H TYR A 50 -9.484 -19.309 -5.404 1.00 65.05 H new ATOM 0 HA TYR A 50 -7.906 -18.784 -2.999 1.00 35.55 H new ATOM 0 HB2 TYR A 50 -7.471 -16.775 -4.189 1.00 2.42 H new ATOM 0 HB3 TYR A 50 -7.761 -17.896 -5.505 1.00 2.42 H new ATOM 0 HD1 TYR A 50 -10.032 -17.913 -6.625 1.00 51.22 H new ATOM 0 HD2 TYR A 50 -8.889 -14.889 -3.849 1.00 20.31 H new ATOM 0 HE1 TYR A 50 -11.878 -16.411 -7.489 1.00 54.23 H new ATOM 0 HE2 TYR A 50 -10.739 -13.397 -4.723 1.00 73.30 H new ATOM 0 HH TYR A 50 -12.364 -13.195 -6.115 1.00 74.31 H new ATOM 833 N GLN A 51 -9.389 -17.266 -1.672 1.00 21.52 N ATOM 834 CA GLN A 51 -10.327 -16.653 -0.747 1.00 2.10 C ATOM 835 C GLN A 51 -10.726 -15.261 -1.241 1.00 60.12 C ATOM 836 O GLN A 51 -9.957 -14.602 -1.939 1.00 62.00 O ATOM 837 CB GLN A 51 -9.741 -16.586 0.665 1.00 64.34 C ATOM 838 CG GLN A 51 -10.775 -16.065 1.664 1.00 52.21 C ATOM 839 CD GLN A 51 -10.326 -16.323 3.103 1.00 4.25 C ATOM 840 OE1 GLN A 51 -9.765 -17.356 3.430 1.00 32.14 O ATOM 841 NE2 GLN A 51 -10.601 -15.329 3.943 1.00 55.42 N ATOM 0 H GLN A 51 -8.411 -17.207 -1.389 1.00 21.52 H new ATOM 0 HA GLN A 51 -11.222 -17.273 -0.704 1.00 2.10 H new ATOM 0 HB2 GLN A 51 -9.403 -17.576 0.970 1.00 64.34 H new ATOM 0 HB3 GLN A 51 -8.866 -15.935 0.669 1.00 64.34 H new ATOM 0 HG2 GLN A 51 -10.926 -14.996 1.513 1.00 52.21 H new ATOM 0 HG3 GLN A 51 -11.735 -16.551 1.486 1.00 52.21 H new ATOM 0 HE21 GLN A 51 -11.073 -14.491 3.604 1.00 55.42 H new ATOM 0 HE22 GLN A 51 -10.340 -15.405 4.926 1.00 55.42 H new ATOM 850 N ASP A 52 -11.928 -14.855 -0.860 1.00 10.12 N ATOM 851 CA ASP A 52 -12.439 -13.553 -1.255 1.00 64.34 C ATOM 852 C ASP A 52 -12.560 -12.661 -0.019 1.00 11.51 C ATOM 853 O ASP A 52 -12.189 -13.065 1.082 1.00 41.21 O ATOM 854 CB ASP A 52 -13.826 -13.675 -1.889 1.00 30.23 C ATOM 855 CG ASP A 52 -14.168 -12.589 -2.911 1.00 61.50 C ATOM 856 OD1 ASP A 52 -13.319 -11.759 -3.268 1.00 55.32 O ATOM 857 OD2 ASP A 52 -15.380 -12.618 -3.352 1.00 1.12 O ATOM 0 H ASP A 52 -12.563 -15.405 -0.282 1.00 10.12 H new ATOM 0 HA ASP A 52 -11.747 -13.125 -1.981 1.00 64.34 H new ATOM 0 HB2 ASP A 52 -13.902 -14.647 -2.375 1.00 30.23 H new ATOM 0 HB3 ASP A 52 -14.574 -13.655 -1.097 1.00 30.23 H new ATOM 863 N GLU A 53 -13.081 -11.463 -0.242 1.00 33.01 N ATOM 864 CA GLU A 53 -13.256 -10.510 0.841 1.00 53.44 C ATOM 865 C GLU A 53 -14.439 -10.918 1.721 1.00 0.34 C ATOM 866 O GLU A 53 -14.579 -10.433 2.843 1.00 4.31 O ATOM 867 CB GLU A 53 -13.441 -9.091 0.298 1.00 61.35 C ATOM 868 CG GLU A 53 -14.646 -9.017 -0.642 1.00 41.44 C ATOM 869 CD GLU A 53 -15.100 -7.569 -0.837 1.00 15.40 C ATOM 870 OE1 GLU A 53 -14.399 -6.637 -0.415 1.00 54.23 O ATOM 871 OE2 GLU A 53 -16.226 -7.428 -1.452 1.00 64.43 O ATOM 0 H GLU A 53 -13.387 -11.131 -1.156 1.00 33.01 H new ATOM 0 HA GLU A 53 -12.354 -10.515 1.453 1.00 53.44 H new ATOM 0 HB2 GLU A 53 -13.578 -8.396 1.126 1.00 61.35 H new ATOM 0 HB3 GLU A 53 -12.541 -8.781 -0.233 1.00 61.35 H new ATOM 0 HG2 GLU A 53 -14.387 -9.454 -1.606 1.00 41.44 H new ATOM 0 HG3 GLU A 53 -15.467 -9.608 -0.235 1.00 41.44 H new ATOM 879 N ASP A 54 -15.260 -11.805 1.180 1.00 33.30 N ATOM 880 CA ASP A 54 -16.426 -12.284 1.903 1.00 74.14 C ATOM 881 C ASP A 54 -16.053 -13.543 2.688 1.00 71.24 C ATOM 882 O ASP A 54 -16.928 -14.292 3.119 1.00 71.40 O ATOM 883 CB ASP A 54 -17.560 -12.645 0.941 1.00 32.30 C ATOM 884 CG ASP A 54 -18.900 -11.969 1.238 1.00 33.43 C ATOM 885 OD1 ASP A 54 -19.915 -12.641 1.477 1.00 52.32 O ATOM 886 OD2 ASP A 54 -18.877 -10.680 1.218 1.00 4.22 O ATOM 0 H ASP A 54 -15.141 -12.205 0.249 1.00 33.30 H new ATOM 0 HA ASP A 54 -16.758 -11.489 2.571 1.00 74.14 H new ATOM 0 HB2 ASP A 54 -17.254 -12.382 -0.072 1.00 32.30 H new ATOM 0 HB3 ASP A 54 -17.703 -13.725 0.961 1.00 32.30 H new ATOM 892 N GLY A 55 -14.752 -13.737 2.849 1.00 35.30 N ATOM 893 CA GLY A 55 -14.253 -14.893 3.575 1.00 44.25 C ATOM 894 C GLY A 55 -14.864 -16.187 3.033 1.00 1.32 C ATOM 895 O GLY A 55 -15.164 -17.103 3.797 1.00 1.22 O ATOM 0 H GLY A 55 -14.029 -13.114 2.490 1.00 35.30 H new ATOM 0 HA2 GLY A 55 -13.167 -14.937 3.493 1.00 44.25 H new ATOM 0 HA3 GLY A 55 -14.489 -14.791 4.634 1.00 44.25 H new ATOM 899 N ASP A 56 -15.030 -16.220 1.719 1.00 33.42 N ATOM 900 CA ASP A 56 -15.601 -17.387 1.067 1.00 45.12 C ATOM 901 C ASP A 56 -14.690 -17.818 -0.084 1.00 64.14 C ATOM 902 O ASP A 56 -14.317 -17.001 -0.925 1.00 61.32 O ATOM 903 CB ASP A 56 -16.981 -17.073 0.486 1.00 64.34 C ATOM 904 CG ASP A 56 -18.162 -17.579 1.316 1.00 60.11 C ATOM 905 OD1 ASP A 56 -19.325 -17.486 0.895 1.00 64.51 O ATOM 906 OD2 ASP A 56 -17.846 -18.093 2.456 1.00 35.42 O ATOM 0 H ASP A 56 -14.780 -15.458 1.088 1.00 33.42 H new ATOM 0 HA ASP A 56 -15.695 -18.178 1.811 1.00 45.12 H new ATOM 0 HB2 ASP A 56 -17.073 -15.993 0.371 1.00 64.34 H new ATOM 0 HB3 ASP A 56 -17.046 -17.506 -0.512 1.00 64.34 H new ATOM 912 N PHE A 57 -14.358 -19.101 -0.085 1.00 44.34 N ATOM 913 CA PHE A 57 -13.497 -19.650 -1.120 1.00 34.35 C ATOM 914 C PHE A 57 -14.167 -19.564 -2.493 1.00 3.23 C ATOM 915 O PHE A 57 -15.367 -19.802 -2.618 1.00 62.34 O ATOM 916 CB PHE A 57 -13.263 -21.122 -0.771 1.00 53.42 C ATOM 917 CG PHE A 57 -12.514 -21.338 0.545 1.00 12.13 C ATOM 918 CD1 PHE A 57 -12.057 -20.269 1.251 1.00 42.11 C ATOM 919 CD2 PHE A 57 -12.306 -22.599 1.010 1.00 43.12 C ATOM 920 CE1 PHE A 57 -11.362 -20.470 2.473 1.00 44.44 C ATOM 921 CE2 PHE A 57 -11.610 -22.800 2.232 1.00 54.44 C ATOM 922 CZ PHE A 57 -11.153 -21.731 2.937 1.00 10.42 C ATOM 0 H PHE A 57 -14.669 -19.776 0.614 1.00 44.34 H new ATOM 0 HA PHE A 57 -12.564 -19.089 -1.165 1.00 34.35 H new ATOM 0 HB2 PHE A 57 -14.226 -21.629 -0.716 1.00 53.42 H new ATOM 0 HB3 PHE A 57 -12.701 -21.591 -1.578 1.00 53.42 H new ATOM 0 HD1 PHE A 57 -12.223 -19.267 0.882 1.00 42.11 H new ATOM 0 HD2 PHE A 57 -12.670 -23.448 0.450 1.00 43.12 H new ATOM 0 HE1 PHE A 57 -10.999 -19.621 3.034 1.00 44.44 H new ATOM 0 HE2 PHE A 57 -11.444 -23.801 2.601 1.00 54.44 H new ATOM 0 HZ PHE A 57 -10.624 -21.883 3.866 1.00 10.42 H new ATOM 932 N VAL A 58 -13.361 -19.222 -3.488 1.00 13.14 N ATOM 933 CA VAL A 58 -13.861 -19.101 -4.847 1.00 4.12 C ATOM 934 C VAL A 58 -12.836 -19.692 -5.816 1.00 64.55 C ATOM 935 O VAL A 58 -11.633 -19.496 -5.650 1.00 22.52 O ATOM 936 CB VAL A 58 -14.199 -17.640 -5.152 1.00 64.20 C ATOM 937 CG1 VAL A 58 -15.640 -17.316 -4.753 1.00 24.01 C ATOM 938 CG2 VAL A 58 -13.213 -16.694 -4.464 1.00 2.02 C ATOM 0 H VAL A 58 -12.366 -19.025 -3.380 1.00 13.14 H new ATOM 0 HA VAL A 58 -14.785 -19.666 -4.966 1.00 4.12 H new ATOM 0 HB VAL A 58 -14.109 -17.493 -6.228 1.00 64.20 H new ATOM 0 HG11 VAL A 58 -15.854 -16.272 -4.980 1.00 24.01 H new ATOM 0 HG12 VAL A 58 -16.324 -17.956 -5.309 1.00 24.01 H new ATOM 0 HG13 VAL A 58 -15.769 -17.489 -3.685 1.00 24.01 H new ATOM 0 HG21 VAL A 58 -13.476 -15.662 -4.697 1.00 2.02 H new ATOM 0 HG22 VAL A 58 -13.257 -16.845 -3.385 1.00 2.02 H new ATOM 0 HG23 VAL A 58 -12.203 -16.900 -4.819 1.00 2.02 H new ATOM 948 N VAL A 59 -13.350 -20.405 -6.809 1.00 5.44 N ATOM 949 CA VAL A 59 -12.494 -21.026 -7.805 1.00 61.11 C ATOM 950 C VAL A 59 -11.734 -19.939 -8.568 1.00 72.21 C ATOM 951 O VAL A 59 -12.209 -18.810 -8.685 1.00 21.44 O ATOM 952 CB VAL A 59 -13.325 -21.928 -8.719 1.00 74.34 C ATOM 953 CG1 VAL A 59 -12.497 -22.415 -9.910 1.00 0.10 C ATOM 954 CG2 VAL A 59 -13.911 -23.107 -7.940 1.00 74.53 C ATOM 0 H VAL A 59 -14.348 -20.566 -6.944 1.00 5.44 H new ATOM 0 HA VAL A 59 -11.752 -21.665 -7.326 1.00 61.11 H new ATOM 0 HB VAL A 59 -14.155 -21.337 -9.107 1.00 74.34 H new ATOM 0 HG11 VAL A 59 -13.112 -23.054 -10.544 1.00 0.10 H new ATOM 0 HG12 VAL A 59 -12.150 -21.558 -10.487 1.00 0.10 H new ATOM 0 HG13 VAL A 59 -11.638 -22.980 -9.549 1.00 0.10 H new ATOM 0 HG21 VAL A 59 -14.497 -23.732 -8.613 1.00 74.53 H new ATOM 0 HG22 VAL A 59 -13.102 -23.697 -7.509 1.00 74.53 H new ATOM 0 HG23 VAL A 59 -14.552 -22.733 -7.142 1.00 74.53 H new ATOM 964 N LEU A 60 -10.567 -20.318 -9.068 1.00 11.31 N ATOM 965 CA LEU A 60 -9.737 -19.389 -9.817 1.00 20.35 C ATOM 966 C LEU A 60 -9.103 -20.120 -11.002 1.00 21.34 C ATOM 967 O LEU A 60 -8.346 -21.072 -10.816 1.00 35.34 O ATOM 968 CB LEU A 60 -8.719 -18.716 -8.893 1.00 74.13 C ATOM 969 CG LEU A 60 -7.409 -18.274 -9.548 1.00 54.43 C ATOM 970 CD1 LEU A 60 -7.663 -17.677 -10.934 1.00 15.32 C ATOM 971 CD2 LEU A 60 -6.641 -17.310 -8.641 1.00 60.34 C ATOM 0 H LEU A 60 -10.176 -21.255 -8.969 1.00 11.31 H new ATOM 0 HA LEU A 60 -10.343 -18.582 -10.228 1.00 20.35 H new ATOM 0 HB2 LEU A 60 -9.189 -17.842 -8.442 1.00 74.13 H new ATOM 0 HB3 LEU A 60 -8.482 -19.405 -8.082 1.00 74.13 H new ATOM 0 HG LEU A 60 -6.782 -19.155 -9.687 1.00 54.43 H new ATOM 0 HD11 LEU A 60 -6.716 -17.371 -11.378 1.00 15.32 H new ATOM 0 HD12 LEU A 60 -8.137 -18.424 -11.571 1.00 15.32 H new ATOM 0 HD13 LEU A 60 -8.318 -16.810 -10.842 1.00 15.32 H new ATOM 0 HD21 LEU A 60 -5.714 -17.011 -9.130 1.00 60.34 H new ATOM 0 HD22 LEU A 60 -7.251 -16.427 -8.449 1.00 60.34 H new ATOM 0 HD23 LEU A 60 -6.410 -17.804 -7.697 1.00 60.34 H new ATOM 983 N GLY A 61 -9.435 -19.647 -12.194 1.00 24.12 N ATOM 984 CA GLY A 61 -8.907 -20.244 -13.409 1.00 51.21 C ATOM 985 C GLY A 61 -8.963 -19.254 -14.575 1.00 22.32 C ATOM 986 O GLY A 61 -9.000 -19.659 -15.736 1.00 14.12 O ATOM 0 H GLY A 61 -10.063 -18.857 -12.345 1.00 24.12 H new ATOM 0 HA2 GLY A 61 -7.877 -20.561 -13.245 1.00 51.21 H new ATOM 0 HA3 GLY A 61 -9.479 -21.138 -13.658 1.00 51.21 H new ATOM 990 N SER A 62 -8.966 -17.977 -14.225 1.00 14.51 N ATOM 991 CA SER A 62 -9.017 -16.926 -15.228 1.00 20.14 C ATOM 992 C SER A 62 -8.411 -15.638 -14.667 1.00 15.33 C ATOM 993 O SER A 62 -8.024 -15.586 -13.501 1.00 24.24 O ATOM 994 CB SER A 62 -10.453 -16.679 -15.694 1.00 1.51 C ATOM 995 OG SER A 62 -10.990 -17.802 -16.387 1.00 52.33 O ATOM 0 H SER A 62 -8.934 -17.645 -13.261 1.00 14.51 H new ATOM 0 HA SER A 62 -8.434 -17.248 -16.091 1.00 20.14 H new ATOM 0 HB2 SER A 62 -11.080 -16.451 -14.832 1.00 1.51 H new ATOM 0 HB3 SER A 62 -10.478 -15.805 -16.345 1.00 1.51 H new ATOM 0 HG SER A 62 -10.334 -18.530 -16.388 1.00 52.33 H new ATOM 1001 N ASP A 63 -8.349 -14.629 -15.524 1.00 35.15 N ATOM 1002 CA ASP A 63 -7.798 -13.344 -15.128 1.00 62.23 C ATOM 1003 C ASP A 63 -8.880 -12.524 -14.424 1.00 34.23 C ATOM 1004 O ASP A 63 -8.574 -11.596 -13.678 1.00 2.53 O ATOM 1005 CB ASP A 63 -7.322 -12.551 -16.347 1.00 2.13 C ATOM 1006 CG ASP A 63 -7.021 -11.075 -16.080 1.00 3.30 C ATOM 1007 OD1 ASP A 63 -6.390 -10.724 -15.072 1.00 10.42 O ATOM 1008 OD2 ASP A 63 -7.469 -10.257 -16.971 1.00 71.25 O ATOM 0 H ASP A 63 -8.671 -14.675 -16.491 1.00 35.15 H new ATOM 0 HA ASP A 63 -6.953 -13.529 -14.465 1.00 62.23 H new ATOM 0 HB2 ASP A 63 -6.423 -13.024 -16.741 1.00 2.13 H new ATOM 0 HB3 ASP A 63 -8.083 -12.616 -17.124 1.00 2.13 H new ATOM 1014 N GLU A 64 -10.124 -12.897 -14.685 1.00 75.33 N ATOM 1015 CA GLU A 64 -11.254 -12.208 -14.086 1.00 13.05 C ATOM 1016 C GLU A 64 -11.476 -12.698 -12.653 1.00 62.32 C ATOM 1017 O GLU A 64 -12.285 -12.134 -11.918 1.00 43.13 O ATOM 1018 CB GLU A 64 -12.518 -12.390 -14.929 1.00 1.52 C ATOM 1019 CG GLU A 64 -13.772 -12.062 -14.115 1.00 43.35 C ATOM 1020 CD GLU A 64 -14.948 -11.723 -15.034 1.00 22.23 C ATOM 1021 OE1 GLU A 64 -15.474 -10.602 -14.979 1.00 41.44 O ATOM 1022 OE2 GLU A 64 -15.312 -12.674 -15.826 1.00 12.11 O ATOM 0 H GLU A 64 -10.374 -13.668 -15.304 1.00 75.33 H new ATOM 0 HA GLU A 64 -11.028 -11.142 -14.054 1.00 13.05 H new ATOM 0 HB2 GLU A 64 -12.470 -11.745 -15.806 1.00 1.52 H new ATOM 0 HB3 GLU A 64 -12.573 -13.417 -15.291 1.00 1.52 H new ATOM 0 HG2 GLU A 64 -14.032 -12.911 -13.483 1.00 43.35 H new ATOM 0 HG3 GLU A 64 -13.570 -11.221 -13.452 1.00 43.35 H new ATOM 1030 N ASP A 65 -10.743 -13.744 -12.300 1.00 0.13 N ATOM 1031 CA ASP A 65 -10.849 -14.317 -10.968 1.00 53.45 C ATOM 1032 C ASP A 65 -9.565 -14.027 -10.189 1.00 64.35 C ATOM 1033 O ASP A 65 -9.558 -14.064 -8.960 1.00 14.10 O ATOM 1034 CB ASP A 65 -11.030 -15.834 -11.035 1.00 34.33 C ATOM 1035 CG ASP A 65 -12.483 -16.310 -11.108 1.00 2.32 C ATOM 1036 OD1 ASP A 65 -12.756 -17.516 -11.193 1.00 74.13 O ATOM 1037 OD2 ASP A 65 -13.366 -15.370 -11.074 1.00 32.35 O ATOM 0 H ASP A 65 -10.074 -14.210 -12.913 1.00 0.13 H new ATOM 0 HA ASP A 65 -11.714 -13.872 -10.477 1.00 53.45 H new ATOM 0 HB2 ASP A 65 -10.496 -16.210 -11.908 1.00 34.33 H new ATOM 0 HB3 ASP A 65 -10.561 -16.280 -10.158 1.00 34.33 H new ATOM 1043 N TRP A 66 -8.508 -13.746 -10.937 1.00 64.32 N ATOM 1044 CA TRP A 66 -7.220 -13.451 -10.332 1.00 50.11 C ATOM 1045 C TRP A 66 -7.109 -11.933 -10.174 1.00 32.14 C ATOM 1046 O TRP A 66 -6.357 -11.447 -9.331 1.00 11.25 O ATOM 1047 CB TRP A 66 -6.078 -14.051 -11.154 1.00 25.12 C ATOM 1048 CG TRP A 66 -4.725 -13.371 -10.929 1.00 74.13 C ATOM 1049 CD1 TRP A 66 -3.820 -13.012 -11.849 1.00 42.33 C ATOM 1050 CD2 TRP A 66 -4.159 -12.981 -9.660 1.00 55.13 C ATOM 1051 NE1 TRP A 66 -2.716 -12.421 -11.269 1.00 10.24 N ATOM 1052 CE2 TRP A 66 -2.929 -12.401 -9.895 1.00 73.42 C ATOM 1053 CE3 TRP A 66 -4.670 -13.113 -8.357 1.00 53.01 C ATOM 1054 CZ2 TRP A 66 -2.107 -11.908 -8.875 1.00 62.41 C ATOM 1055 CZ3 TRP A 66 -3.836 -12.615 -7.349 1.00 31.43 C ATOM 1056 CH2 TRP A 66 -2.595 -12.029 -7.569 1.00 31.53 C ATOM 0 H TRP A 66 -8.517 -13.716 -11.957 1.00 64.32 H new ATOM 0 HA TRP A 66 -7.142 -13.911 -9.347 1.00 50.11 H new ATOM 0 HB2 TRP A 66 -5.986 -15.110 -10.911 1.00 25.12 H new ATOM 0 HB3 TRP A 66 -6.333 -13.988 -12.212 1.00 25.12 H new ATOM 0 HD1 TRP A 66 -3.939 -13.166 -12.911 1.00 42.33 H new ATOM 0 HE1 TRP A 66 -1.895 -12.065 -11.758 1.00 10.24 H new ATOM 0 HE3 TRP A 66 -5.630 -13.563 -8.150 1.00 53.01 H new ATOM 0 HZ2 TRP A 66 -1.148 -11.458 -9.085 1.00 62.41 H new ATOM 0 HZ3 TRP A 66 -4.181 -12.692 -6.329 1.00 31.43 H new ATOM 0 HH2 TRP A 66 -2.010 -11.669 -6.736 1.00 31.53 H new ATOM 1067 N ASN A 67 -7.870 -11.227 -10.997 1.00 65.14 N ATOM 1068 CA ASN A 67 -7.866 -9.775 -10.959 1.00 52.43 C ATOM 1069 C ASN A 67 -8.913 -9.293 -9.953 1.00 52.21 C ATOM 1070 O ASN A 67 -8.621 -8.455 -9.101 1.00 32.10 O ATOM 1071 CB ASN A 67 -8.219 -9.187 -12.327 1.00 13.10 C ATOM 1072 CG ASN A 67 -8.477 -7.682 -12.227 1.00 62.02 C ATOM 1073 OD1 ASN A 67 -7.576 -6.865 -12.317 1.00 5.51 O ATOM 1074 ND2 ASN A 67 -9.754 -7.363 -12.037 1.00 62.11 N ATOM 0 H ASN A 67 -8.494 -11.634 -11.694 1.00 65.14 H new ATOM 0 HA ASN A 67 -6.866 -9.448 -10.673 1.00 52.43 H new ATOM 0 HB2 ASN A 67 -7.406 -9.374 -13.028 1.00 13.10 H new ATOM 0 HB3 ASN A 67 -9.103 -9.686 -12.724 1.00 13.10 H new ATOM 0 HD21 ASN A 67 -10.029 -6.384 -11.958 1.00 62.11 H new ATOM 0 HD22 ASN A 67 -10.459 -8.097 -11.971 1.00 62.11 H new ATOM 1081 N VAL A 68 -10.111 -9.843 -10.085 1.00 54.31 N ATOM 1082 CA VAL A 68 -11.203 -9.480 -9.198 1.00 14.50 C ATOM 1083 C VAL A 68 -10.787 -9.743 -7.749 1.00 51.24 C ATOM 1084 O VAL A 68 -11.277 -9.089 -6.830 1.00 54.23 O ATOM 1085 CB VAL A 68 -12.475 -10.229 -9.600 1.00 55.30 C ATOM 1086 CG1 VAL A 68 -13.549 -10.108 -8.516 1.00 44.34 C ATOM 1087 CG2 VAL A 68 -13.000 -9.733 -10.949 1.00 71.53 C ATOM 0 H VAL A 68 -10.349 -10.537 -10.793 1.00 54.31 H new ATOM 0 HA VAL A 68 -11.427 -8.417 -9.284 1.00 14.50 H new ATOM 0 HB VAL A 68 -12.223 -11.284 -9.706 1.00 55.30 H new ATOM 0 HG11 VAL A 68 -14.443 -10.649 -8.827 1.00 44.34 H new ATOM 0 HG12 VAL A 68 -13.174 -10.531 -7.584 1.00 44.34 H new ATOM 0 HG13 VAL A 68 -13.796 -9.057 -8.364 1.00 44.34 H new ATOM 0 HG21 VAL A 68 -13.905 -10.282 -11.211 1.00 71.53 H new ATOM 0 HG22 VAL A 68 -13.227 -8.669 -10.882 1.00 71.53 H new ATOM 0 HG23 VAL A 68 -12.242 -9.894 -11.716 1.00 71.53 H new ATOM 1097 N ALA A 69 -9.887 -10.702 -7.591 1.00 42.21 N ATOM 1098 CA ALA A 69 -9.399 -11.060 -6.270 1.00 10.41 C ATOM 1099 C ALA A 69 -8.382 -10.015 -5.806 1.00 51.23 C ATOM 1100 O ALA A 69 -8.298 -9.710 -4.618 1.00 13.43 O ATOM 1101 CB ALA A 69 -8.809 -12.471 -6.308 1.00 41.34 C ATOM 0 H ALA A 69 -9.483 -11.242 -8.356 1.00 42.21 H new ATOM 0 HA ALA A 69 -10.216 -11.068 -5.549 1.00 10.41 H new ATOM 0 HB1 ALA A 69 -8.443 -12.739 -5.317 1.00 41.34 H new ATOM 0 HB2 ALA A 69 -9.579 -13.179 -6.614 1.00 41.34 H new ATOM 0 HB3 ALA A 69 -7.984 -12.501 -7.020 1.00 41.34 H new ATOM 1107 N LYS A 70 -7.635 -9.495 -6.769 1.00 23.10 N ATOM 1108 CA LYS A 70 -6.627 -8.491 -6.474 1.00 43.23 C ATOM 1109 C LYS A 70 -7.316 -7.180 -6.091 1.00 50.21 C ATOM 1110 O LYS A 70 -7.061 -6.630 -5.021 1.00 4.21 O ATOM 1111 CB LYS A 70 -5.650 -8.353 -7.644 1.00 22.13 C ATOM 1112 CG LYS A 70 -4.453 -9.291 -7.472 1.00 11.11 C ATOM 1113 CD LYS A 70 -3.223 -8.749 -8.202 1.00 4.11 C ATOM 1114 CE LYS A 70 -3.556 -8.400 -9.654 1.00 22.41 C ATOM 1115 NZ LYS A 70 -4.042 -7.006 -9.754 1.00 21.02 N ATOM 0 H LYS A 70 -7.708 -9.750 -7.754 1.00 23.10 H new ATOM 0 HA LYS A 70 -6.024 -8.796 -5.619 1.00 43.23 H new ATOM 0 HB2 LYS A 70 -6.162 -8.579 -8.579 1.00 22.13 H new ATOM 0 HB3 LYS A 70 -5.302 -7.322 -7.712 1.00 22.13 H new ATOM 0 HG2 LYS A 70 -4.228 -9.409 -6.412 1.00 11.11 H new ATOM 0 HG3 LYS A 70 -4.703 -10.280 -7.857 1.00 11.11 H new ATOM 0 HD2 LYS A 70 -2.852 -7.863 -7.687 1.00 4.11 H new ATOM 0 HD3 LYS A 70 -2.425 -9.491 -8.177 1.00 4.11 H new ATOM 0 HE2 LYS A 70 -2.671 -8.528 -10.277 1.00 22.41 H new ATOM 0 HE3 LYS A 70 -4.315 -9.084 -10.034 1.00 22.41 H new ATOM 0 HZ1 LYS A 70 -3.607 -6.545 -10.579 1.00 21.02 H new ATOM 0 HZ2 LYS A 70 -5.076 -7.006 -9.863 1.00 21.02 H new ATOM 0 HZ3 LYS A 70 -3.784 -6.486 -8.891 1.00 21.02 H new ATOM 1128 N GLU A 71 -8.176 -6.717 -6.986 1.00 74.11 N ATOM 1129 CA GLU A 71 -8.904 -5.481 -6.755 1.00 53.11 C ATOM 1130 C GLU A 71 -9.595 -5.519 -5.390 1.00 44.51 C ATOM 1131 O GLU A 71 -9.929 -4.475 -4.831 1.00 24.34 O ATOM 1132 CB GLU A 71 -9.916 -5.223 -7.874 1.00 5.21 C ATOM 1133 CG GLU A 71 -11.162 -6.093 -7.698 1.00 64.23 C ATOM 1134 CD GLU A 71 -12.224 -5.747 -8.743 1.00 51.43 C ATOM 1135 OE1 GLU A 71 -13.425 -5.914 -8.485 1.00 73.01 O ATOM 1136 OE2 GLU A 71 -11.764 -5.287 -9.857 1.00 43.02 O ATOM 0 H GLU A 71 -8.385 -7.176 -7.873 1.00 74.11 H new ATOM 0 HA GLU A 71 -8.191 -4.657 -6.757 1.00 53.11 H new ATOM 0 HB2 GLU A 71 -10.200 -4.171 -7.876 1.00 5.21 H new ATOM 0 HB3 GLU A 71 -9.456 -5.431 -8.840 1.00 5.21 H new ATOM 0 HG2 GLU A 71 -10.891 -7.145 -7.785 1.00 64.23 H new ATOM 0 HG3 GLU A 71 -11.571 -5.951 -6.698 1.00 64.23 H new ATOM 1144 N MET A 72 -9.788 -6.732 -4.894 1.00 1.44 N ATOM 1145 CA MET A 72 -10.432 -6.919 -3.605 1.00 13.32 C ATOM 1146 C MET A 72 -9.425 -6.775 -2.462 1.00 51.41 C ATOM 1147 O MET A 72 -9.779 -6.331 -1.371 1.00 5.33 O ATOM 1148 CB MET A 72 -11.071 -8.308 -3.550 1.00 52.13 C ATOM 1149 CG MET A 72 -12.316 -8.304 -2.661 1.00 32.21 C ATOM 1150 SD MET A 72 -13.747 -7.829 -3.616 1.00 53.00 S ATOM 1151 CE MET A 72 -13.799 -6.083 -3.249 1.00 41.22 C ATOM 0 H MET A 72 -9.510 -7.595 -5.361 1.00 1.44 H new ATOM 0 HA MET A 72 -11.198 -6.152 -3.488 1.00 13.32 H new ATOM 0 HB2 MET A 72 -11.340 -8.629 -4.557 1.00 52.13 H new ATOM 0 HB3 MET A 72 -10.349 -9.029 -3.168 1.00 52.13 H new ATOM 0 HG2 MET A 72 -12.468 -9.294 -2.230 1.00 32.21 H new ATOM 0 HG3 MET A 72 -12.177 -7.612 -1.830 1.00 32.21 H new ATOM 0 HE1 MET A 72 -14.821 -5.793 -3.005 1.00 41.22 H new ATOM 0 HE2 MET A 72 -13.149 -5.870 -2.400 1.00 41.22 H new ATOM 0 HE3 MET A 72 -13.459 -5.518 -4.117 1.00 41.22 H new ATOM 1161 N LEU A 73 -8.191 -7.158 -2.752 1.00 64.21 N ATOM 1162 CA LEU A 73 -7.130 -7.077 -1.762 1.00 62.34 C ATOM 1163 C LEU A 73 -6.999 -5.632 -1.278 1.00 41.34 C ATOM 1164 O LEU A 73 -6.909 -5.381 -0.078 1.00 20.14 O ATOM 1165 CB LEU A 73 -5.830 -7.659 -2.322 1.00 3.33 C ATOM 1166 CG LEU A 73 -5.840 -9.159 -2.621 1.00 72.10 C ATOM 1167 CD1 LEU A 73 -4.448 -9.765 -2.434 1.00 61.11 C ATOM 1168 CD2 LEU A 73 -6.896 -9.879 -1.780 1.00 12.33 C ATOM 0 H LEU A 73 -7.901 -7.525 -3.658 1.00 64.21 H new ATOM 0 HA LEU A 73 -7.375 -7.684 -0.890 1.00 62.34 H new ATOM 0 HB2 LEU A 73 -5.584 -7.127 -3.241 1.00 3.33 H new ATOM 0 HB3 LEU A 73 -5.029 -7.456 -1.612 1.00 3.33 H new ATOM 0 HG LEU A 73 -6.113 -9.296 -3.667 1.00 72.10 H new ATOM 0 HD11 LEU A 73 -4.483 -10.832 -2.653 1.00 61.11 H new ATOM 0 HD12 LEU A 73 -3.746 -9.279 -3.111 1.00 61.11 H new ATOM 0 HD13 LEU A 73 -4.122 -9.616 -1.405 1.00 61.11 H new ATOM 0 HD21 LEU A 73 -6.882 -10.944 -2.012 1.00 12.33 H new ATOM 0 HD22 LEU A 73 -6.678 -9.735 -0.722 1.00 12.33 H new ATOM 0 HD23 LEU A 73 -7.881 -9.471 -2.006 1.00 12.33 H new ATOM 1180 N ALA A 74 -6.992 -4.718 -2.238 1.00 73.42 N ATOM 1181 CA ALA A 74 -6.874 -3.304 -1.925 1.00 21.40 C ATOM 1182 C ALA A 74 -8.054 -2.880 -1.049 1.00 32.13 C ATOM 1183 O ALA A 74 -8.020 -1.820 -0.426 1.00 23.14 O ATOM 1184 CB ALA A 74 -6.792 -2.499 -3.223 1.00 53.12 C ATOM 0 H ALA A 74 -7.066 -4.930 -3.233 1.00 73.42 H new ATOM 0 HA ALA A 74 -5.960 -3.110 -1.363 1.00 21.40 H new ATOM 0 HB1 ALA A 74 -6.704 -1.438 -2.988 1.00 53.12 H new ATOM 0 HB2 ALA A 74 -5.920 -2.818 -3.795 1.00 53.12 H new ATOM 0 HB3 ALA A 74 -7.694 -2.666 -3.812 1.00 53.12 H new ATOM 1190 N GLU A 75 -9.071 -3.730 -1.029 1.00 2.50 N ATOM 1191 CA GLU A 75 -10.259 -3.456 -0.239 1.00 55.24 C ATOM 1192 C GLU A 75 -10.183 -4.183 1.104 1.00 33.34 C ATOM 1193 O GLU A 75 -10.755 -3.728 2.094 1.00 70.41 O ATOM 1194 CB GLU A 75 -11.527 -3.846 -1.003 1.00 4.21 C ATOM 1195 CG GLU A 75 -11.829 -2.839 -2.115 1.00 24.12 C ATOM 1196 CD GLU A 75 -13.319 -2.835 -2.461 1.00 61.31 C ATOM 1197 OE1 GLU A 75 -14.159 -3.100 -1.588 1.00 61.42 O ATOM 1198 OE2 GLU A 75 -13.593 -2.543 -3.687 1.00 51.41 O ATOM 0 H GLU A 75 -9.096 -4.608 -1.547 1.00 2.50 H new ATOM 0 HA GLU A 75 -10.305 -2.384 -0.047 1.00 55.24 H new ATOM 0 HB2 GLU A 75 -11.406 -4.841 -1.432 1.00 4.21 H new ATOM 0 HB3 GLU A 75 -12.370 -3.896 -0.314 1.00 4.21 H new ATOM 0 HG2 GLU A 75 -11.522 -1.841 -1.800 1.00 24.12 H new ATOM 0 HG3 GLU A 75 -11.247 -3.086 -3.003 1.00 24.12 H new ATOM 1206 N ASN A 76 -9.472 -5.301 1.096 1.00 34.43 N ATOM 1207 CA ASN A 76 -9.314 -6.096 2.302 1.00 31.24 C ATOM 1208 C ASN A 76 -8.084 -5.609 3.071 1.00 60.40 C ATOM 1209 O ASN A 76 -7.607 -6.287 3.980 1.00 70.32 O ATOM 1210 CB ASN A 76 -9.106 -7.574 1.965 1.00 53.13 C ATOM 1211 CG ASN A 76 -10.292 -8.127 1.172 1.00 70.13 C ATOM 1212 OD1 ASN A 76 -11.446 -7.953 1.528 1.00 42.11 O ATOM 1213 ND2 ASN A 76 -9.945 -8.802 0.080 1.00 43.15 N ATOM 0 H ASN A 76 -8.999 -5.675 0.273 1.00 34.43 H new ATOM 0 HA ASN A 76 -10.220 -5.986 2.899 1.00 31.24 H new ATOM 0 HB2 ASN A 76 -8.190 -7.694 1.387 1.00 53.13 H new ATOM 0 HB3 ASN A 76 -8.980 -8.146 2.884 1.00 53.13 H new ATOM 0 HD21 ASN A 76 -10.664 -9.211 -0.517 1.00 43.15 H new ATOM 0 HD22 ASN A 76 -8.960 -8.911 -0.161 1.00 43.15 H new ATOM 1220 N ASN A 77 -7.606 -4.438 2.678 1.00 65.11 N ATOM 1221 CA ASN A 77 -6.440 -3.853 3.319 1.00 51.44 C ATOM 1222 C ASN A 77 -5.411 -4.950 3.597 1.00 34.32 C ATOM 1223 O ASN A 77 -4.673 -4.879 4.578 1.00 31.55 O ATOM 1224 CB ASN A 77 -6.813 -3.204 4.653 1.00 21.32 C ATOM 1225 CG ASN A 77 -7.948 -2.195 4.474 1.00 14.32 C ATOM 1226 OD1 ASN A 77 -7.736 -1.024 4.203 1.00 32.22 O ATOM 1227 ND2 ASN A 77 -9.163 -2.711 4.640 1.00 23.23 N ATOM 0 H ASN A 77 -8.004 -3.878 1.924 1.00 65.11 H new ATOM 0 HA ASN A 77 -6.033 -3.094 2.651 1.00 51.44 H new ATOM 0 HB2 ASN A 77 -7.114 -3.973 5.364 1.00 21.32 H new ATOM 0 HB3 ASN A 77 -5.941 -2.704 5.075 1.00 21.32 H new ATOM 0 HD21 ASN A 77 -9.987 -2.118 4.541 1.00 23.23 H new ATOM 0 HD22 ASN A 77 -9.271 -3.700 4.866 1.00 23.23 H new ATOM 1234 N GLU A 78 -5.396 -5.940 2.716 1.00 3.32 N ATOM 1235 CA GLU A 78 -4.470 -7.051 2.855 1.00 43.20 C ATOM 1236 C GLU A 78 -3.470 -7.056 1.697 1.00 25.02 C ATOM 1237 O GLU A 78 -3.813 -6.690 0.574 1.00 23.11 O ATOM 1238 CB GLU A 78 -5.219 -8.382 2.938 1.00 32.10 C ATOM 1239 CG GLU A 78 -5.665 -8.848 1.550 1.00 25.14 C ATOM 1240 CD GLU A 78 -6.602 -10.053 1.651 1.00 24.44 C ATOM 1241 OE1 GLU A 78 -7.829 -9.883 1.694 1.00 50.51 O ATOM 1242 OE2 GLU A 78 -6.013 -11.201 1.685 1.00 44.43 O ATOM 0 H GLU A 78 -6.010 -5.996 1.904 1.00 3.32 H new ATOM 0 HA GLU A 78 -3.918 -6.924 3.786 1.00 43.20 H new ATOM 0 HB2 GLU A 78 -4.576 -9.137 3.390 1.00 32.10 H new ATOM 0 HB3 GLU A 78 -6.089 -8.274 3.586 1.00 32.10 H new ATOM 0 HG2 GLU A 78 -6.171 -8.032 1.034 1.00 25.14 H new ATOM 0 HG3 GLU A 78 -4.792 -9.111 0.953 1.00 25.14 H new ATOM 1250 N LYS A 79 -2.252 -7.475 2.011 1.00 53.04 N ATOM 1251 CA LYS A 79 -1.200 -7.533 1.010 1.00 0.43 C ATOM 1252 C LYS A 79 -0.853 -8.995 0.725 1.00 21.21 C ATOM 1253 O LYS A 79 0.184 -9.286 0.130 1.00 33.34 O ATOM 1254 CB LYS A 79 0.000 -6.689 1.446 1.00 61.41 C ATOM 1255 CG LYS A 79 -0.449 -5.319 1.956 1.00 12.31 C ATOM 1256 CD LYS A 79 -0.967 -4.449 0.809 1.00 72.34 C ATOM 1257 CE LYS A 79 -1.890 -3.346 1.330 1.00 73.30 C ATOM 1258 NZ LYS A 79 -3.264 -3.864 1.514 1.00 75.34 N ATOM 0 H LYS A 79 -1.971 -7.777 2.944 1.00 53.04 H new ATOM 0 HA LYS A 79 -1.542 -7.098 0.071 1.00 0.43 H new ATOM 0 HB2 LYS A 79 0.550 -7.210 2.230 1.00 61.41 H new ATOM 0 HB3 LYS A 79 0.684 -6.562 0.607 1.00 61.41 H new ATOM 0 HG2 LYS A 79 -1.232 -5.444 2.704 1.00 12.31 H new ATOM 0 HG3 LYS A 79 0.385 -4.819 2.448 1.00 12.31 H new ATOM 0 HD2 LYS A 79 -0.126 -4.003 0.278 1.00 72.34 H new ATOM 0 HD3 LYS A 79 -1.505 -5.069 0.092 1.00 72.34 H new ATOM 0 HE2 LYS A 79 -1.510 -2.963 2.277 1.00 73.30 H new ATOM 0 HE3 LYS A 79 -1.901 -2.511 0.629 1.00 73.30 H new ATOM 0 HZ1 LYS A 79 -3.922 -3.068 1.636 1.00 75.34 H new ATOM 0 HZ2 LYS A 79 -3.541 -4.417 0.678 1.00 75.34 H new ATOM 0 HZ3 LYS A 79 -3.296 -4.471 2.358 1.00 75.34 H new ATOM 1271 N PHE A 80 -1.740 -9.877 1.163 1.00 41.32 N ATOM 1272 CA PHE A 80 -1.540 -11.302 0.962 1.00 14.11 C ATOM 1273 C PHE A 80 -2.765 -11.940 0.303 1.00 12.41 C ATOM 1274 O PHE A 80 -3.707 -11.242 -0.070 1.00 71.44 O ATOM 1275 CB PHE A 80 -1.338 -11.924 2.345 1.00 70.30 C ATOM 1276 CG PHE A 80 -2.508 -11.702 3.305 1.00 55.41 C ATOM 1277 CD1 PHE A 80 -3.631 -12.462 3.196 1.00 10.54 C ATOM 1278 CD2 PHE A 80 -2.426 -10.744 4.267 1.00 52.42 C ATOM 1279 CE1 PHE A 80 -4.717 -12.255 4.087 1.00 13.13 C ATOM 1280 CE2 PHE A 80 -3.512 -10.537 5.158 1.00 54.13 C ATOM 1281 CZ PHE A 80 -4.635 -11.297 5.049 1.00 0.12 C ATOM 0 H PHE A 80 -2.599 -9.632 1.656 1.00 41.32 H new ATOM 0 HA PHE A 80 -0.682 -11.469 0.311 1.00 14.11 H new ATOM 0 HB2 PHE A 80 -1.175 -12.995 2.230 1.00 70.30 H new ATOM 0 HB3 PHE A 80 -0.433 -11.510 2.790 1.00 70.30 H new ATOM 0 HD1 PHE A 80 -3.697 -13.223 2.432 1.00 10.54 H new ATOM 0 HD2 PHE A 80 -1.535 -10.141 4.353 1.00 52.42 H new ATOM 0 HE1 PHE A 80 -5.608 -12.858 4.001 1.00 13.13 H new ATOM 0 HE2 PHE A 80 -3.446 -9.776 5.922 1.00 54.13 H new ATOM 0 HZ PHE A 80 -5.461 -11.140 5.726 1.00 0.12 H new ATOM 1291 N LEU A 81 -2.712 -13.258 0.181 1.00 54.24 N ATOM 1292 CA LEU A 81 -3.806 -13.997 -0.427 1.00 22.32 C ATOM 1293 C LEU A 81 -3.872 -15.397 0.187 1.00 33.14 C ATOM 1294 O LEU A 81 -2.918 -15.848 0.819 1.00 2.40 O ATOM 1295 CB LEU A 81 -3.669 -14.000 -1.951 1.00 34.23 C ATOM 1296 CG LEU A 81 -4.955 -14.262 -2.739 1.00 4.43 C ATOM 1297 CD1 LEU A 81 -5.238 -15.761 -2.844 1.00 64.41 C ATOM 1298 CD2 LEU A 81 -6.134 -13.497 -2.134 1.00 3.02 C ATOM 0 H LEU A 81 -1.929 -13.833 0.492 1.00 54.24 H new ATOM 0 HA LEU A 81 -4.758 -13.510 -0.217 1.00 22.32 H new ATOM 0 HB2 LEU A 81 -3.266 -13.036 -2.262 1.00 34.23 H new ATOM 0 HB3 LEU A 81 -2.935 -14.757 -2.229 1.00 34.23 H new ATOM 0 HG LEU A 81 -4.816 -13.889 -3.754 1.00 4.43 H new ATOM 0 HD11 LEU A 81 -6.157 -15.919 -3.408 1.00 64.41 H new ATOM 0 HD12 LEU A 81 -4.410 -16.253 -3.354 1.00 64.41 H new ATOM 0 HD13 LEU A 81 -5.349 -16.181 -1.844 1.00 64.41 H new ATOM 0 HD21 LEU A 81 -7.035 -13.701 -2.713 1.00 3.02 H new ATOM 0 HD22 LEU A 81 -6.285 -13.817 -1.103 1.00 3.02 H new ATOM 0 HD23 LEU A 81 -5.923 -12.428 -2.155 1.00 3.02 H new ATOM 1310 N ASN A 82 -5.009 -16.046 -0.020 1.00 3.14 N ATOM 1311 CA ASN A 82 -5.212 -17.385 0.506 1.00 72.31 C ATOM 1312 C ASN A 82 -5.766 -18.284 -0.601 1.00 73.13 C ATOM 1313 O ASN A 82 -6.826 -18.006 -1.160 1.00 14.44 O ATOM 1314 CB ASN A 82 -6.220 -17.378 1.657 1.00 5.04 C ATOM 1315 CG ASN A 82 -6.674 -18.799 1.998 1.00 42.25 C ATOM 1316 OD1 ASN A 82 -7.560 -19.302 1.143 1.00 22.21 O flip ATOM 1317 ND2 ASN A 82 -6.248 -19.398 2.971 1.00 31.53 N flip ATOM 0 H ASN A 82 -5.799 -15.669 -0.545 1.00 3.14 H new ATOM 0 HA ASN A 82 -4.253 -17.754 0.869 1.00 72.31 H new ATOM 0 HB2 ASN A 82 -5.771 -16.915 2.536 1.00 5.04 H new ATOM 0 HB3 ASN A 82 -7.084 -16.772 1.385 1.00 5.04 H new ATOM 0 HD21 ASN A 82 -5.568 -18.952 3.587 1.00 31.53 H new ATOM 0 HD22 ASN A 82 -6.571 -20.345 3.169 1.00 31.53 H new ATOM 1324 N ILE A 83 -5.024 -19.344 -0.886 1.00 32.22 N ATOM 1325 CA ILE A 83 -5.428 -20.286 -1.916 1.00 50.43 C ATOM 1326 C ILE A 83 -5.761 -21.632 -1.269 1.00 43.43 C ATOM 1327 O ILE A 83 -5.366 -21.893 -0.134 1.00 63.22 O ATOM 1328 CB ILE A 83 -4.360 -20.375 -3.008 1.00 71.43 C ATOM 1329 CG1 ILE A 83 -4.018 -18.988 -3.556 1.00 24.24 C ATOM 1330 CG2 ILE A 83 -4.789 -21.339 -4.117 1.00 21.14 C ATOM 1331 CD1 ILE A 83 -5.164 -18.436 -4.406 1.00 3.14 C ATOM 0 H ILE A 83 -4.145 -19.571 -0.421 1.00 32.22 H new ATOM 0 HA ILE A 83 -6.333 -19.940 -2.415 1.00 50.43 H new ATOM 0 HB ILE A 83 -3.450 -20.779 -2.563 1.00 71.43 H new ATOM 0 HG12 ILE A 83 -3.813 -18.307 -2.730 1.00 24.24 H new ATOM 0 HG13 ILE A 83 -3.110 -19.044 -4.156 1.00 24.24 H new ATOM 0 HG21 ILE A 83 -4.012 -21.384 -4.881 1.00 21.14 H new ATOM 0 HG22 ILE A 83 -4.942 -22.333 -3.696 1.00 21.14 H new ATOM 0 HG23 ILE A 83 -5.718 -20.988 -4.565 1.00 21.14 H new ATOM 0 HD11 ILE A 83 -4.895 -17.449 -4.783 1.00 3.14 H new ATOM 0 HD12 ILE A 83 -5.351 -19.107 -5.245 1.00 3.14 H new ATOM 0 HD13 ILE A 83 -6.064 -18.358 -3.797 1.00 3.14 H new ATOM 1343 N ARG A 84 -6.484 -22.450 -2.020 1.00 2.04 N ATOM 1344 CA ARG A 84 -6.874 -23.762 -1.533 1.00 71.53 C ATOM 1345 C ARG A 84 -6.465 -24.843 -2.536 1.00 60.21 C ATOM 1346 O ARG A 84 -6.634 -24.672 -3.742 1.00 41.33 O ATOM 1347 CB ARG A 84 -8.385 -23.837 -1.301 1.00 65.14 C ATOM 1348 CG ARG A 84 -8.837 -25.284 -1.098 1.00 72.54 C ATOM 1349 CD ARG A 84 -10.140 -25.344 -0.298 1.00 60.43 C ATOM 1350 NE ARG A 84 -10.304 -26.687 0.302 1.00 22.12 N ATOM 1351 CZ ARG A 84 -11.495 -27.226 0.637 1.00 33.21 C ATOM 1352 NH1 ARG A 84 -12.640 -26.540 0.433 1.00 44.15 N ATOM 1353 NH2 ARG A 84 -11.525 -28.435 1.168 1.00 44.52 N ATOM 0 H ARG A 84 -6.810 -22.230 -2.961 1.00 2.04 H new ATOM 0 HA ARG A 84 -6.364 -23.929 -0.584 1.00 71.53 H new ATOM 0 HB2 ARG A 84 -8.652 -23.243 -0.427 1.00 65.14 H new ATOM 0 HB3 ARG A 84 -8.909 -23.405 -2.153 1.00 65.14 H new ATOM 0 HG2 ARG A 84 -8.978 -25.764 -2.066 1.00 72.54 H new ATOM 0 HG3 ARG A 84 -8.060 -25.842 -0.576 1.00 72.54 H new ATOM 0 HD2 ARG A 84 -10.131 -24.586 0.485 1.00 60.43 H new ATOM 0 HD3 ARG A 84 -10.986 -25.121 -0.948 1.00 60.43 H new ATOM 0 HE ARG A 84 -9.464 -27.240 0.473 1.00 22.12 H new ATOM 0 HH11 ARG A 84 -12.609 -25.607 0.023 1.00 44.15 H new ATOM 0 HH12 ARG A 84 -13.536 -26.955 0.689 1.00 44.15 H new ATOM 0 HH21 ARG A 84 -10.656 -28.947 1.319 1.00 44.52 H new ATOM 0 HH22 ARG A 84 -12.417 -28.856 1.427 1.00 44.52 H new ATOM 1366 N LEU A 85 -5.935 -25.933 -2.000 1.00 2.30 N ATOM 1367 CA LEU A 85 -5.500 -27.041 -2.833 1.00 33.21 C ATOM 1368 C LEU A 85 -5.925 -28.359 -2.182 1.00 61.33 C ATOM 1369 O LEU A 85 -5.239 -28.868 -1.297 1.00 63.34 O ATOM 1370 CB LEU A 85 -3.998 -26.947 -3.109 1.00 33.52 C ATOM 1371 CG LEU A 85 -3.560 -25.835 -4.063 1.00 61.05 C ATOM 1372 CD1 LEU A 85 -2.059 -25.919 -4.350 1.00 55.54 C ATOM 1373 CD2 LEU A 85 -4.391 -25.856 -5.348 1.00 11.52 C ATOM 0 H LEU A 85 -5.797 -26.072 -0.999 1.00 2.30 H new ATOM 0 HA LEU A 85 -5.983 -26.997 -3.809 1.00 33.21 H new ATOM 0 HB2 LEU A 85 -3.482 -26.808 -2.159 1.00 33.52 H new ATOM 0 HB3 LEU A 85 -3.663 -27.901 -3.516 1.00 33.52 H new ATOM 0 HG LEU A 85 -3.742 -24.876 -3.577 1.00 61.05 H new ATOM 0 HD11 LEU A 85 -1.773 -25.117 -5.031 1.00 55.54 H new ATOM 0 HD12 LEU A 85 -1.504 -25.818 -3.417 1.00 55.54 H new ATOM 0 HD13 LEU A 85 -1.829 -26.882 -4.807 1.00 55.54 H new ATOM 0 HD21 LEU A 85 -4.059 -25.055 -6.009 1.00 11.52 H new ATOM 0 HD22 LEU A 85 -4.263 -26.816 -5.848 1.00 11.52 H new ATOM 0 HD23 LEU A 85 -5.443 -25.712 -5.103 1.00 11.52 H new ATOM 1385 N TYR A 86 -7.054 -28.874 -2.646 1.00 71.30 N ATOM 1386 CA TYR A 86 -7.578 -30.123 -2.120 1.00 74.43 C ATOM 1387 C TYR A 86 -6.499 -31.208 -2.106 1.00 35.10 C ATOM 1388 O TYR A 86 -6.406 -32.008 -3.035 1.00 75.44 O ATOM 1389 CB TYR A 86 -8.697 -30.546 -3.075 1.00 30.03 C ATOM 1390 CG TYR A 86 -9.738 -31.472 -2.442 1.00 51.51 C ATOM 1391 CD1 TYR A 86 -10.357 -31.110 -1.263 1.00 1.05 C ATOM 1392 CD2 TYR A 86 -10.059 -32.668 -3.051 1.00 4.12 C ATOM 1393 CE1 TYR A 86 -11.337 -31.981 -0.667 1.00 61.01 C ATOM 1394 CE2 TYR A 86 -11.039 -33.539 -2.455 1.00 45.04 C ATOM 1395 CZ TYR A 86 -11.629 -33.153 -1.293 1.00 13.51 C ATOM 1396 OH TYR A 86 -12.555 -33.975 -0.731 1.00 22.24 O ATOM 0 H TYR A 86 -7.620 -28.449 -3.380 1.00 71.30 H new ATOM 0 HA TYR A 86 -7.929 -29.991 -1.096 1.00 74.43 H new ATOM 0 HB2 TYR A 86 -9.199 -29.653 -3.448 1.00 30.03 H new ATOM 0 HB3 TYR A 86 -8.256 -31.047 -3.936 1.00 30.03 H new ATOM 0 HD1 TYR A 86 -10.107 -30.173 -0.787 1.00 1.05 H new ATOM 0 HD2 TYR A 86 -9.575 -32.951 -3.974 1.00 4.12 H new ATOM 0 HE1 TYR A 86 -11.829 -31.710 0.256 1.00 61.01 H new ATOM 0 HE2 TYR A 86 -11.299 -34.478 -2.921 1.00 45.04 H new ATOM 0 HH TYR A 86 -12.663 -34.775 -1.287 1.00 22.24 H new