USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 858 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: B 19 TYR OH : rot -75:sc= -0.916 USER MOD Set 1.2: B 24 ASN :FLIP amide:sc= -1.54 F(o=-4.1,f=-2.5) USER MOD Set 2.1: A 19 TYR OH : rot -74:sc= -0.822 USER MOD Set 2.2: A 24 ASN :FLIP amide:sc= -1.54 F(o=-3.9,f=-2.4) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= -0.653 K(o=-0.65,f=-5.8!) USER MOD Single : A 26 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.055) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 53:sc= -1.96 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 160:sc= -2.66! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 21 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 HIS : no HE2:sc= -0.54 K(o=-0.54,f=-5.4!) USER MOD Single : B 26 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.061) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 52:sc= -1.94 USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 TYR OH : rot 156:sc= -2.6! USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 12 -21.948 14.629 5.247 1.00 0.00 N ATOM 2 CA SER A 12 -20.711 15.463 5.285 1.00 0.00 C ATOM 3 C SER A 12 -19.552 14.663 5.886 1.00 0.00 C ATOM 4 O SER A 12 -19.546 14.349 7.059 1.00 0.00 O ATOM 5 CB SER A 12 -21.063 16.650 6.180 1.00 0.00 C ATOM 6 OG SER A 12 -21.141 17.828 5.387 1.00 0.00 O ATOM 0 HA SER A 12 -20.396 15.780 4.291 1.00 0.00 H new ATOM 0 HB2 SER A 12 -22.014 16.472 6.683 1.00 0.00 H new ATOM 0 HB3 SER A 12 -20.309 16.770 6.958 1.00 0.00 H new ATOM 0 HG SER A 12 -21.368 18.592 5.957 1.00 0.00 H new ATOM 14 N LEU A 13 -18.570 14.335 5.091 1.00 0.00 N ATOM 15 CA LEU A 13 -17.413 13.557 5.620 1.00 0.00 C ATOM 16 C LEU A 13 -16.318 14.503 6.125 1.00 0.00 C ATOM 17 O LEU A 13 -15.178 14.115 6.290 1.00 0.00 O ATOM 18 CB LEU A 13 -16.908 12.737 4.433 1.00 0.00 C ATOM 19 CG LEU A 13 -16.270 11.443 4.942 1.00 0.00 C ATOM 20 CD1 LEU A 13 -17.175 10.258 4.603 1.00 0.00 C ATOM 21 CD2 LEU A 13 -14.907 11.250 4.273 1.00 0.00 C ATOM 0 H LEU A 13 -18.519 14.571 4.100 1.00 0.00 H new ATOM 0 HA LEU A 13 -17.695 12.925 6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -17.733 12.508 3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -16.180 13.314 3.862 1.00 0.00 H new ATOM 0 HG LEU A 13 -16.141 11.503 6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -16.719 9.337 4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -18.146 10.394 5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -17.305 10.197 3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.451 10.328 4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -15.037 11.191 3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -14.260 12.094 4.515 1.00 0.00 H new ATOM 33 N ARG A 14 -16.652 15.740 6.375 1.00 0.00 N ATOM 34 CA ARG A 14 -15.626 16.703 6.871 1.00 0.00 C ATOM 35 C ARG A 14 -15.396 16.500 8.371 1.00 0.00 C ATOM 36 O ARG A 14 -14.362 16.849 8.904 1.00 0.00 O ATOM 37 CB ARG A 14 -16.218 18.088 6.602 1.00 0.00 C ATOM 38 CG ARG A 14 -15.108 19.040 6.147 1.00 0.00 C ATOM 39 CD ARG A 14 -15.701 20.114 5.230 1.00 0.00 C ATOM 40 NE ARG A 14 -15.359 19.672 3.850 1.00 0.00 N ATOM 41 CZ ARG A 14 -16.228 19.818 2.886 1.00 0.00 C ATOM 42 NH1 ARG A 14 -16.414 20.991 2.348 1.00 0.00 N ATOM 43 NH2 ARG A 14 -16.907 18.787 2.461 1.00 0.00 N ATOM 0 H ARG A 14 -17.589 16.125 6.258 1.00 0.00 H new ATOM 0 HA ARG A 14 -14.662 16.570 6.379 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -16.991 18.022 5.836 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -16.694 18.473 7.504 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -14.636 19.505 7.012 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -14.331 18.485 5.620 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -16.780 20.195 5.363 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -15.279 21.095 5.446 1.00 0.00 H new ATOM 0 HE ARG A 14 -14.448 19.256 3.658 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -15.881 21.795 2.680 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -17.093 21.105 1.595 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -16.758 17.870 2.882 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -17.586 18.899 1.708 1.00 0.00 H new ATOM 57 N GLU A 15 -16.355 15.936 9.055 1.00 0.00 N ATOM 58 CA GLU A 15 -16.193 15.707 10.520 1.00 0.00 C ATOM 59 C GLU A 15 -15.430 14.401 10.783 1.00 0.00 C ATOM 60 O GLU A 15 -15.043 14.115 11.898 1.00 0.00 O ATOM 61 CB GLU A 15 -17.619 15.614 11.067 1.00 0.00 C ATOM 62 CG GLU A 15 -18.363 14.473 10.367 1.00 0.00 C ATOM 63 CD GLU A 15 -19.376 13.855 11.332 1.00 0.00 C ATOM 64 OE1 GLU A 15 -18.950 13.242 12.297 1.00 0.00 O ATOM 65 OE2 GLU A 15 -20.563 14.006 11.089 1.00 0.00 O ATOM 0 H GLU A 15 -17.243 15.624 8.663 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.622 16.504 10.997 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -17.596 15.441 12.143 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -18.143 16.556 10.907 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -18.873 14.848 9.479 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -17.655 13.715 10.032 1.00 0.00 H new ATOM 72 N CYS A 16 -15.213 13.607 9.768 1.00 0.00 N ATOM 73 CA CYS A 16 -14.477 12.326 9.973 1.00 0.00 C ATOM 74 C CYS A 16 -12.976 12.585 10.136 1.00 0.00 C ATOM 75 O CYS A 16 -12.235 11.725 10.572 1.00 0.00 O ATOM 76 CB CYS A 16 -14.745 11.517 8.704 1.00 0.00 C ATOM 77 SG CYS A 16 -13.949 9.898 8.842 1.00 0.00 S ATOM 0 H CYS A 16 -15.512 13.789 8.810 1.00 0.00 H new ATOM 0 HA CYS A 16 -14.802 11.805 10.873 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -15.818 11.395 8.557 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -14.363 12.049 7.833 1.00 0.00 H new ATOM 82 N GLU A 17 -12.520 13.759 9.792 1.00 0.00 N ATOM 83 CA GLU A 17 -11.067 14.065 9.928 1.00 0.00 C ATOM 84 C GLU A 17 -10.643 14.011 11.402 1.00 0.00 C ATOM 85 O GLU A 17 -9.472 13.932 11.715 1.00 0.00 O ATOM 86 CB GLU A 17 -10.908 15.482 9.376 1.00 0.00 C ATOM 87 CG GLU A 17 -9.488 15.662 8.834 1.00 0.00 C ATOM 88 CD GLU A 17 -9.378 14.997 7.462 1.00 0.00 C ATOM 89 OE1 GLU A 17 -10.407 14.795 6.839 1.00 0.00 O ATOM 90 OE2 GLU A 17 -8.265 14.701 7.057 1.00 0.00 O ATOM 0 H GLU A 17 -13.091 14.519 9.423 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.444 13.346 9.396 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.636 15.659 8.584 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.105 16.213 10.160 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.249 16.723 8.756 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.766 15.222 9.522 1.00 0.00 H new ATOM 97 N LEU A 18 -11.582 14.053 12.309 1.00 0.00 N ATOM 98 CA LEU A 18 -11.225 14.004 13.756 1.00 0.00 C ATOM 99 C LEU A 18 -10.594 12.654 14.108 1.00 0.00 C ATOM 100 O LEU A 18 -9.966 12.503 15.137 1.00 0.00 O ATOM 101 CB LEU A 18 -12.546 14.191 14.503 1.00 0.00 C ATOM 102 CG LEU A 18 -12.316 15.075 15.731 1.00 0.00 C ATOM 103 CD1 LEU A 18 -11.916 16.482 15.281 1.00 0.00 C ATOM 104 CD2 LEU A 18 -13.602 15.151 16.556 1.00 0.00 C ATOM 0 H LEU A 18 -12.580 14.119 12.110 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.496 14.770 14.022 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.286 14.648 13.846 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.944 13.223 14.808 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.519 14.647 16.340 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.752 17.111 16.156 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.998 16.429 14.695 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.712 16.909 14.671 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.437 15.781 17.430 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -14.400 15.577 15.948 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.887 14.150 16.879 1.00 0.00 H new ATOM 116 N TYR A 19 -10.751 11.667 13.264 1.00 0.00 N ATOM 117 CA TYR A 19 -10.154 10.330 13.560 1.00 0.00 C ATOM 118 C TYR A 19 -8.670 10.481 13.896 1.00 0.00 C ATOM 119 O TYR A 19 -8.235 10.165 14.985 1.00 0.00 O ATOM 120 CB TYR A 19 -10.331 9.522 12.274 1.00 0.00 C ATOM 121 CG TYR A 19 -9.878 8.101 12.508 1.00 0.00 C ATOM 122 CD1 TYR A 19 -10.334 7.391 13.640 1.00 0.00 C ATOM 123 CD2 TYR A 19 -8.998 7.481 11.593 1.00 0.00 C ATOM 124 CE1 TYR A 19 -9.911 6.062 13.859 1.00 0.00 C ATOM 125 CE2 TYR A 19 -8.574 6.151 11.813 1.00 0.00 C ATOM 126 CZ TYR A 19 -9.031 5.442 12.945 1.00 0.00 C ATOM 127 OH TYR A 19 -8.617 4.142 13.159 1.00 0.00 O ATOM 0 H TYR A 19 -11.265 11.728 12.385 1.00 0.00 H new ATOM 0 HA TYR A 19 -10.628 9.845 14.414 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -11.376 9.536 11.964 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -9.753 9.971 11.467 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.007 7.865 14.339 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.650 8.023 10.726 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -10.260 5.520 14.725 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.900 5.677 11.115 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.960 4.123 13.886 1.00 0.00 H new ATOM 137 N VAL A 20 -7.896 10.971 12.970 1.00 0.00 N ATOM 138 CA VAL A 20 -6.436 11.159 13.221 1.00 0.00 C ATOM 139 C VAL A 20 -6.217 12.282 14.240 1.00 0.00 C ATOM 140 O VAL A 20 -5.566 13.266 13.953 1.00 0.00 O ATOM 141 CB VAL A 20 -5.851 11.554 11.862 1.00 0.00 C ATOM 142 CG1 VAL A 20 -6.172 10.470 10.832 1.00 0.00 C ATOM 143 CG2 VAL A 20 -6.464 12.882 11.404 1.00 0.00 C ATOM 0 H VAL A 20 -8.212 11.252 12.042 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.967 10.262 13.626 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.770 11.663 11.954 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.755 10.752 9.865 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.737 9.523 11.152 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.253 10.361 10.743 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.046 13.161 10.437 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.545 12.772 11.314 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.238 13.658 12.135 1.00 0.00 H new ATOM 153 N GLN A 21 -6.740 12.144 15.434 1.00 0.00 N ATOM 154 CA GLN A 21 -6.533 13.212 16.458 1.00 0.00 C ATOM 155 C GLN A 21 -5.037 13.508 16.561 1.00 0.00 C ATOM 156 O GLN A 21 -4.529 14.414 15.933 1.00 0.00 O ATOM 157 CB GLN A 21 -7.068 12.627 17.766 1.00 0.00 C ATOM 158 CG GLN A 21 -8.419 13.267 18.096 1.00 0.00 C ATOM 159 CD GLN A 21 -8.668 13.187 19.604 1.00 0.00 C ATOM 160 OE1 GLN A 21 -8.116 12.341 20.278 1.00 0.00 O ATOM 161 NE2 GLN A 21 -9.478 14.042 20.163 1.00 0.00 N ATOM 0 H GLN A 21 -7.296 11.346 15.741 1.00 0.00 H new ATOM 0 HA GLN A 21 -7.040 14.146 16.213 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.178 11.546 17.675 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.360 12.809 18.575 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.430 14.307 17.770 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.217 12.756 17.557 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.941 14.752 19.596 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.649 14.001 21.168 1.00 0.00 H new ATOM 170 N LYS A 22 -4.320 12.714 17.301 1.00 0.00 N ATOM 171 CA LYS A 22 -2.853 12.917 17.385 1.00 0.00 C ATOM 172 C LYS A 22 -2.224 12.181 16.204 1.00 0.00 C ATOM 173 O LYS A 22 -1.453 12.731 15.441 1.00 0.00 O ATOM 174 CB LYS A 22 -2.429 12.290 18.715 1.00 0.00 C ATOM 175 CG LYS A 22 -3.195 12.957 19.860 1.00 0.00 C ATOM 176 CD LYS A 22 -2.208 13.668 20.788 1.00 0.00 C ATOM 177 CE LYS A 22 -1.916 15.069 20.248 1.00 0.00 C ATOM 178 NZ LYS A 22 -0.435 15.208 20.319 1.00 0.00 N ATOM 0 H LYS A 22 -4.686 11.936 17.849 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.548 13.963 17.345 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.629 11.219 18.705 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.356 12.412 18.861 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.916 13.671 19.462 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.761 12.210 20.417 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.622 13.734 21.794 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.284 13.095 20.860 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.274 15.180 19.225 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.413 15.834 20.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.157 16.145 19.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.124 15.104 21.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.011 14.471 19.736 1.00 0.00 H new ATOM 192 N HIS A 23 -2.583 10.936 16.040 1.00 0.00 N ATOM 193 CA HIS A 23 -2.059 10.136 14.898 1.00 0.00 C ATOM 194 C HIS A 23 -2.787 8.793 14.829 1.00 0.00 C ATOM 195 O HIS A 23 -2.177 7.751 14.696 1.00 0.00 O ATOM 196 CB HIS A 23 -0.578 9.934 15.189 1.00 0.00 C ATOM 197 CG HIS A 23 -0.404 9.300 16.542 1.00 0.00 C ATOM 198 ND1 HIS A 23 -0.731 7.976 16.786 1.00 0.00 N ATOM 199 CD2 HIS A 23 0.062 9.797 17.735 1.00 0.00 C ATOM 200 CE1 HIS A 23 -0.458 7.721 18.079 1.00 0.00 C ATOM 201 NE2 HIS A 23 0.029 8.799 18.702 1.00 0.00 N ATOM 0 H HIS A 23 -3.224 10.435 16.656 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.211 10.633 13.940 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.131 9.302 14.422 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.058 10.892 15.157 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -1.110 7.314 16.108 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.402 10.809 17.897 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -0.613 6.764 18.555 1.00 0.00 H new ATOM 209 N ASN A 24 -4.088 8.810 14.928 1.00 0.00 N ATOM 210 CA ASN A 24 -4.864 7.534 14.877 1.00 0.00 C ATOM 211 C ASN A 24 -4.412 6.667 13.697 1.00 0.00 C ATOM 212 O ASN A 24 -4.091 5.505 13.854 1.00 0.00 O ATOM 213 CB ASN A 24 -6.318 7.969 14.703 1.00 0.00 C ATOM 214 CG ASN A 24 -7.241 6.938 15.352 1.00 0.00 C ATOM 215 OD1 ASN A 24 -7.036 5.668 15.135 1.00 0.00 O flip ATOM 216 ND2 ASN A 24 -8.160 7.290 16.066 1.00 0.00 N flip ATOM 0 H ASN A 24 -4.650 9.653 15.042 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.719 6.930 15.773 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.473 8.948 15.157 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.554 8.068 13.644 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.322 8.282 16.237 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.769 6.593 16.494 1.00 0.00 H new ATOM 223 N ILE A 25 -4.385 7.220 12.519 1.00 0.00 N ATOM 224 CA ILE A 25 -3.955 6.427 11.331 1.00 0.00 C ATOM 225 C ILE A 25 -2.442 6.559 11.127 1.00 0.00 C ATOM 226 O ILE A 25 -1.758 5.608 10.809 1.00 0.00 O ATOM 227 CB ILE A 25 -4.730 7.038 10.154 1.00 0.00 C ATOM 228 CG1 ILE A 25 -4.622 6.111 8.939 1.00 0.00 C ATOM 229 CG2 ILE A 25 -4.165 8.418 9.797 1.00 0.00 C ATOM 230 CD1 ILE A 25 -5.602 4.948 9.097 1.00 0.00 C ATOM 0 H ILE A 25 -4.642 8.188 12.325 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.159 5.362 11.439 1.00 0.00 H new ATOM 0 HB ILE A 25 -5.775 7.152 10.442 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.841 6.664 8.026 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.604 5.733 8.846 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.726 8.836 8.961 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.251 9.080 10.659 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.116 8.320 9.517 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.526 4.288 8.233 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.362 4.390 10.002 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.618 5.336 9.169 1.00 0.00 H new ATOM 242 N GLN A 26 -1.924 7.741 11.312 1.00 0.00 N ATOM 243 CA GLN A 26 -0.461 7.957 11.133 1.00 0.00 C ATOM 244 C GLN A 26 0.339 6.987 12.010 1.00 0.00 C ATOM 245 O GLN A 26 1.504 6.739 11.771 1.00 0.00 O ATOM 246 CB GLN A 26 -0.216 9.399 11.578 1.00 0.00 C ATOM 247 CG GLN A 26 -0.357 10.337 10.378 1.00 0.00 C ATOM 248 CD GLN A 26 0.401 11.635 10.653 1.00 0.00 C ATOM 249 OE1 GLN A 26 -0.134 12.713 10.492 1.00 0.00 O ATOM 250 NE2 GLN A 26 1.640 11.577 11.064 1.00 0.00 N ATOM 0 H GLN A 26 -2.453 8.570 11.581 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.147 7.784 10.104 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.928 9.676 12.355 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.780 9.493 12.011 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.035 9.858 9.481 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.410 10.551 10.192 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.090 10.672 11.200 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.157 12.437 11.249 1.00 0.00 H new ATOM 259 N ALA A 27 -0.274 6.441 13.028 1.00 0.00 N ATOM 260 CA ALA A 27 0.451 5.490 13.926 1.00 0.00 C ATOM 261 C ALA A 27 1.222 4.447 13.110 1.00 0.00 C ATOM 262 O ALA A 27 2.365 4.144 13.392 1.00 0.00 O ATOM 263 CB ALA A 27 -0.645 4.815 14.752 1.00 0.00 C ATOM 0 H ALA A 27 -1.248 6.613 13.278 1.00 0.00 H new ATOM 0 HA ALA A 27 1.185 6.001 14.549 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.194 4.099 15.439 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.189 5.569 15.320 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.334 4.295 14.087 1.00 0.00 H new ATOM 269 N LEU A 28 0.606 3.895 12.101 1.00 0.00 N ATOM 270 CA LEU A 28 1.305 2.871 11.272 1.00 0.00 C ATOM 271 C LEU A 28 2.264 3.548 10.287 1.00 0.00 C ATOM 272 O LEU A 28 3.212 2.949 9.814 1.00 0.00 O ATOM 273 CB LEU A 28 0.190 2.142 10.523 1.00 0.00 C ATOM 274 CG LEU A 28 -0.559 3.133 9.630 1.00 0.00 C ATOM 275 CD1 LEU A 28 -0.233 2.848 8.165 1.00 0.00 C ATOM 276 CD2 LEU A 28 -2.065 2.982 9.856 1.00 0.00 C ATOM 0 H LEU A 28 -0.350 4.108 11.815 1.00 0.00 H new ATOM 0 HA LEU A 28 1.904 2.189 11.876 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.609 1.337 9.919 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.499 1.683 11.232 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.253 4.149 9.878 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.767 3.554 7.529 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.840 2.954 8.004 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.539 1.832 7.915 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.601 3.687 9.221 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.370 1.966 9.607 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.298 3.186 10.901 1.00 0.00 H new ATOM 288 N LEU A 29 2.029 4.792 9.971 1.00 0.00 N ATOM 289 CA LEU A 29 2.927 5.502 9.016 1.00 0.00 C ATOM 290 C LEU A 29 4.238 5.891 9.705 1.00 0.00 C ATOM 291 O LEU A 29 5.235 6.145 9.060 1.00 0.00 O ATOM 292 CB LEU A 29 2.151 6.751 8.591 1.00 0.00 C ATOM 293 CG LEU A 29 1.898 6.704 7.082 1.00 0.00 C ATOM 294 CD1 LEU A 29 1.107 5.442 6.734 1.00 0.00 C ATOM 295 CD2 LEU A 29 1.099 7.940 6.660 1.00 0.00 C ATOM 0 H LEU A 29 1.254 5.348 10.333 1.00 0.00 H new ATOM 0 HA LEU A 29 3.193 4.878 8.162 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.204 6.804 9.128 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.715 7.648 8.849 1.00 0.00 H new ATOM 0 HG LEU A 29 2.852 6.690 6.555 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.928 5.410 5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.676 4.562 7.033 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.153 5.454 7.261 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.919 7.907 5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.145 7.955 7.188 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.663 8.839 6.906 1.00 0.00 H new ATOM 307 N LYS A 30 4.245 5.937 11.010 1.00 0.00 N ATOM 308 CA LYS A 30 5.496 6.310 11.731 1.00 0.00 C ATOM 309 C LYS A 30 6.642 5.384 11.317 1.00 0.00 C ATOM 310 O LYS A 30 7.631 5.814 10.757 1.00 0.00 O ATOM 311 CB LYS A 30 5.169 6.126 13.214 1.00 0.00 C ATOM 312 CG LYS A 30 4.814 7.480 13.833 1.00 0.00 C ATOM 313 CD LYS A 30 4.394 7.278 15.290 1.00 0.00 C ATOM 314 CE LYS A 30 4.735 8.531 16.100 1.00 0.00 C ATOM 315 NZ LYS A 30 3.648 8.638 17.112 1.00 0.00 N ATOM 0 H LYS A 30 3.442 5.733 11.606 1.00 0.00 H new ATOM 0 HA LYS A 30 5.813 7.328 11.506 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.336 5.432 13.330 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.022 5.690 13.734 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.670 8.152 13.780 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.006 7.948 13.272 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.324 7.076 15.346 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.905 6.411 15.710 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.711 8.440 16.576 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.772 9.415 15.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.810 9.475 17.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.732 8.729 16.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.642 7.785 17.707 1.00 0.00 H new ATOM 329 N ASP A 31 6.517 4.111 11.588 1.00 0.00 N ATOM 330 CA ASP A 31 7.597 3.157 11.208 1.00 0.00 C ATOM 331 C ASP A 31 7.659 2.999 9.686 1.00 0.00 C ATOM 332 O ASP A 31 8.703 2.735 9.122 1.00 0.00 O ATOM 333 CB ASP A 31 7.205 1.834 11.866 1.00 0.00 C ATOM 334 CG ASP A 31 8.361 1.333 12.736 1.00 0.00 C ATOM 335 OD1 ASP A 31 9.486 1.368 12.267 1.00 0.00 O ATOM 336 OD2 ASP A 31 8.100 0.922 13.855 1.00 0.00 O ATOM 0 H ASP A 31 5.713 3.692 12.056 1.00 0.00 H new ATOM 0 HA ASP A 31 8.580 3.500 11.530 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.311 1.969 12.474 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.963 1.094 11.103 1.00 0.00 H new ATOM 341 N SER A 32 6.550 3.155 9.017 1.00 0.00 N ATOM 342 CA SER A 32 6.547 3.010 7.532 1.00 0.00 C ATOM 343 C SER A 32 7.420 4.092 6.892 1.00 0.00 C ATOM 344 O SER A 32 8.305 3.807 6.111 1.00 0.00 O ATOM 345 CB SER A 32 5.087 3.185 7.120 1.00 0.00 C ATOM 346 OG SER A 32 4.758 2.218 6.133 1.00 0.00 O ATOM 0 H SER A 32 5.646 3.377 9.433 1.00 0.00 H new ATOM 0 HA SER A 32 6.948 2.049 7.211 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.437 3.072 7.987 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.925 4.190 6.729 1.00 0.00 H new ATOM 0 HG SER A 32 4.989 1.324 6.461 1.00 0.00 H new ATOM 352 N ILE A 33 7.178 5.332 7.216 1.00 0.00 N ATOM 353 CA ILE A 33 7.995 6.430 6.625 1.00 0.00 C ATOM 354 C ILE A 33 9.479 6.214 6.938 1.00 0.00 C ATOM 355 O ILE A 33 10.340 6.505 6.134 1.00 0.00 O ATOM 356 CB ILE A 33 7.482 7.709 7.293 1.00 0.00 C ATOM 357 CG1 ILE A 33 6.032 7.959 6.869 1.00 0.00 C ATOM 358 CG2 ILE A 33 8.345 8.898 6.864 1.00 0.00 C ATOM 359 CD1 ILE A 33 5.442 9.091 7.711 1.00 0.00 C ATOM 0 H ILE A 33 6.450 5.633 7.864 1.00 0.00 H new ATOM 0 HA ILE A 33 7.905 6.474 5.540 1.00 0.00 H new ATOM 0 HB ILE A 33 7.534 7.595 8.376 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.991 8.219 5.811 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.443 7.051 6.997 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.977 9.806 7.341 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.379 8.724 7.163 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.295 9.012 5.781 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.410 9.269 7.409 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.469 8.813 8.765 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.026 9.999 7.560 1.00 0.00 H new ATOM 371 N VAL A 34 9.783 5.706 8.101 1.00 0.00 N ATOM 372 CA VAL A 34 11.211 5.473 8.462 1.00 0.00 C ATOM 373 C VAL A 34 11.858 4.514 7.460 1.00 0.00 C ATOM 374 O VAL A 34 13.014 4.653 7.109 1.00 0.00 O ATOM 375 CB VAL A 34 11.171 4.852 9.858 1.00 0.00 C ATOM 376 CG1 VAL A 34 12.591 4.482 10.293 1.00 0.00 C ATOM 377 CG2 VAL A 34 10.585 5.863 10.847 1.00 0.00 C ATOM 0 H VAL A 34 9.105 5.442 8.816 1.00 0.00 H new ATOM 0 HA VAL A 34 11.798 6.391 8.445 1.00 0.00 H new ATOM 0 HB VAL A 34 10.551 3.956 9.840 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.563 4.039 11.289 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.012 3.765 9.589 1.00 0.00 H new ATOM 0 HG13 VAL A 34 13.211 5.378 10.312 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.556 5.422 11.843 1.00 0.00 H new ATOM 0 HG22 VAL A 34 11.207 6.758 10.864 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.574 6.130 10.538 1.00 0.00 H new ATOM 387 N GLN A 35 11.123 3.542 6.994 1.00 0.00 N ATOM 388 CA GLN A 35 11.693 2.578 6.010 1.00 0.00 C ATOM 389 C GLN A 35 11.293 2.982 4.589 1.00 0.00 C ATOM 390 O GLN A 35 11.942 2.627 3.627 1.00 0.00 O ATOM 391 CB GLN A 35 11.080 1.226 6.379 1.00 0.00 C ATOM 392 CG GLN A 35 12.170 0.305 6.932 1.00 0.00 C ATOM 393 CD GLN A 35 11.520 -0.904 7.609 1.00 0.00 C ATOM 394 OE1 GLN A 35 11.498 -1.987 7.057 1.00 0.00 O ATOM 395 NE2 GLN A 35 10.984 -0.766 8.791 1.00 0.00 N ATOM 0 H GLN A 35 10.151 3.373 7.252 1.00 0.00 H new ATOM 0 HA GLN A 35 12.782 2.550 6.038 1.00 0.00 H new ATOM 0 HB2 GLN A 35 10.293 1.362 7.121 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.617 0.773 5.502 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.826 -0.025 6.126 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.790 0.846 7.647 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.001 0.142 9.256 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.548 -1.566 9.250 1.00 0.00 H new ATOM 404 N LEU A 36 10.229 3.724 4.452 1.00 0.00 N ATOM 405 CA LEU A 36 9.788 4.155 3.096 1.00 0.00 C ATOM 406 C LEU A 36 10.614 5.356 2.623 1.00 0.00 C ATOM 407 O LEU A 36 10.648 5.673 1.450 1.00 0.00 O ATOM 408 CB LEU A 36 8.317 4.546 3.263 1.00 0.00 C ATOM 409 CG LEU A 36 7.439 3.298 3.136 1.00 0.00 C ATOM 410 CD1 LEU A 36 6.374 3.302 4.234 1.00 0.00 C ATOM 411 CD2 LEU A 36 6.757 3.294 1.765 1.00 0.00 C ATOM 0 H LEU A 36 9.645 4.051 5.222 1.00 0.00 H new ATOM 0 HA LEU A 36 9.920 3.370 2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.162 5.015 4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.037 5.279 2.507 1.00 0.00 H new ATOM 0 HG LEU A 36 8.060 2.408 3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.751 2.412 4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.858 3.305 5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.753 4.192 4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.131 2.406 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.139 4.186 1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.515 3.287 0.982 1.00 0.00 H new ATOM 423 N CYS A 37 11.284 6.027 3.525 1.00 0.00 N ATOM 424 CA CYS A 37 12.109 7.203 3.116 1.00 0.00 C ATOM 425 C CYS A 37 13.049 6.812 1.972 1.00 0.00 C ATOM 426 O CYS A 37 13.336 7.600 1.094 1.00 0.00 O ATOM 427 CB CYS A 37 12.908 7.586 4.364 1.00 0.00 C ATOM 428 SG CYS A 37 13.749 9.166 4.083 1.00 0.00 S ATOM 0 H CYS A 37 11.296 5.813 4.522 1.00 0.00 H new ATOM 0 HA CYS A 37 11.499 8.032 2.758 1.00 0.00 H new ATOM 0 HB2 CYS A 37 12.243 7.664 5.224 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.638 6.810 4.594 1.00 0.00 H new ATOM 433 N THR A 38 13.521 5.596 1.975 1.00 0.00 N ATOM 434 CA THR A 38 14.435 5.149 0.883 1.00 0.00 C ATOM 435 C THR A 38 13.752 5.341 -0.475 1.00 0.00 C ATOM 436 O THR A 38 14.401 5.435 -1.499 1.00 0.00 O ATOM 437 CB THR A 38 14.688 3.666 1.164 1.00 0.00 C ATOM 438 OG1 THR A 38 15.362 3.531 2.409 1.00 0.00 O ATOM 439 CG2 THR A 38 15.551 3.069 0.050 1.00 0.00 C ATOM 0 H THR A 38 13.315 4.893 2.684 1.00 0.00 H new ATOM 0 HA THR A 38 15.365 5.716 0.853 1.00 0.00 H new ATOM 0 HB THR A 38 13.735 3.138 1.203 1.00 0.00 H new ATOM 0 HG1 THR A 38 15.524 2.582 2.592 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.729 2.013 0.254 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.035 3.172 -0.905 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.504 3.596 0.006 1.00 0.00 H new ATOM 447 N ALA A 39 12.449 5.408 -0.489 1.00 0.00 N ATOM 448 CA ALA A 39 11.718 5.604 -1.776 1.00 0.00 C ATOM 449 C ALA A 39 12.127 4.540 -2.797 1.00 0.00 C ATOM 450 O ALA A 39 11.969 4.719 -3.988 1.00 0.00 O ATOM 451 CB ALA A 39 12.131 6.995 -2.257 1.00 0.00 C ATOM 0 H ALA A 39 11.856 5.335 0.338 1.00 0.00 H new ATOM 0 HA ALA A 39 10.639 5.516 -1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.634 7.216 -3.202 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.842 7.738 -1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.211 7.025 -2.399 1.00 0.00 H new ATOM 457 N ARG A 40 12.646 3.431 -2.343 1.00 0.00 N ATOM 458 CA ARG A 40 13.057 2.363 -3.296 1.00 0.00 C ATOM 459 C ARG A 40 12.557 0.993 -2.814 1.00 0.00 C ATOM 460 O ARG A 40 13.321 0.053 -2.734 1.00 0.00 O ATOM 461 CB ARG A 40 14.586 2.405 -3.303 1.00 0.00 C ATOM 462 CG ARG A 40 15.089 2.414 -4.748 1.00 0.00 C ATOM 463 CD ARG A 40 16.468 1.752 -4.812 1.00 0.00 C ATOM 464 NE ARG A 40 16.628 1.338 -6.234 1.00 0.00 N ATOM 465 CZ ARG A 40 17.773 1.503 -6.835 1.00 0.00 C ATOM 466 NH1 ARG A 40 18.394 2.649 -6.758 1.00 0.00 N ATOM 467 NH2 ARG A 40 18.301 0.522 -7.515 1.00 0.00 N ATOM 0 H ARG A 40 12.802 3.220 -1.357 1.00 0.00 H new ATOM 0 HA ARG A 40 12.640 2.517 -4.291 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.939 3.293 -2.778 1.00 0.00 H new ATOM 0 HB3 ARG A 40 14.987 1.541 -2.772 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.388 1.882 -5.392 1.00 0.00 H new ATOM 0 HG3 ARG A 40 15.148 3.438 -5.118 1.00 0.00 H new ATOM 0 HD2 ARG A 40 17.254 2.445 -4.511 1.00 0.00 H new ATOM 0 HD3 ARG A 40 16.526 0.894 -4.142 1.00 0.00 H new ATOM 0 HE ARG A 40 15.842 0.926 -6.737 1.00 0.00 H new ATOM 0 HH11 ARG A 40 17.983 3.417 -6.227 1.00 0.00 H new ATOM 0 HH12 ARG A 40 19.290 2.776 -7.229 1.00 0.00 H new ATOM 0 HH21 ARG A 40 17.818 -0.374 -7.576 1.00 0.00 H new ATOM 0 HH22 ARG A 40 19.197 0.652 -7.985 1.00 0.00 H new ATOM 481 N PRO A 41 11.282 0.921 -2.510 1.00 0.00 N ATOM 482 CA PRO A 41 10.689 -0.353 -2.038 1.00 0.00 C ATOM 483 C PRO A 41 10.527 -1.330 -3.206 1.00 0.00 C ATOM 484 O PRO A 41 9.805 -1.070 -4.149 1.00 0.00 O ATOM 485 CB PRO A 41 9.328 0.064 -1.492 1.00 0.00 C ATOM 486 CG PRO A 41 8.987 1.328 -2.217 1.00 0.00 C ATOM 487 CD PRO A 41 10.286 2.003 -2.574 1.00 0.00 C ATOM 0 HA PRO A 41 11.304 -0.861 -1.295 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.579 -0.707 -1.671 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.368 0.226 -0.415 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.407 1.112 -3.114 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.376 1.978 -1.591 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.244 2.448 -3.568 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.524 2.805 -1.875 1.00 0.00 H new ATOM 495 N GLU A 42 11.186 -2.455 -3.151 1.00 0.00 N ATOM 496 CA GLU A 42 11.061 -3.447 -4.259 1.00 0.00 C ATOM 497 C GLU A 42 9.610 -3.924 -4.372 1.00 0.00 C ATOM 498 O GLU A 42 9.186 -4.415 -5.399 1.00 0.00 O ATOM 499 CB GLU A 42 11.981 -4.602 -3.866 1.00 0.00 C ATOM 500 CG GLU A 42 11.533 -5.180 -2.522 1.00 0.00 C ATOM 501 CD GLU A 42 12.633 -4.963 -1.480 1.00 0.00 C ATOM 502 OE1 GLU A 42 12.727 -3.861 -0.966 1.00 0.00 O ATOM 503 OE2 GLU A 42 13.360 -5.905 -1.211 1.00 0.00 O ATOM 0 H GLU A 42 11.805 -2.731 -2.389 1.00 0.00 H new ATOM 0 HA GLU A 42 11.334 -3.026 -5.227 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.957 -5.376 -4.633 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.011 -4.253 -3.798 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.610 -4.700 -2.197 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.320 -6.244 -2.625 1.00 0.00 H new ATOM 510 N ARG A 43 8.847 -3.784 -3.321 1.00 0.00 N ATOM 511 CA ARG A 43 7.424 -4.228 -3.365 1.00 0.00 C ATOM 512 C ARG A 43 6.656 -3.642 -2.174 1.00 0.00 C ATOM 513 O ARG A 43 6.414 -4.328 -1.200 1.00 0.00 O ATOM 514 CB ARG A 43 7.478 -5.754 -3.275 1.00 0.00 C ATOM 515 CG ARG A 43 8.207 -6.170 -1.996 1.00 0.00 C ATOM 516 CD ARG A 43 8.994 -7.457 -2.255 1.00 0.00 C ATOM 517 NE ARG A 43 8.030 -8.556 -1.983 1.00 0.00 N ATOM 518 CZ ARG A 43 8.456 -9.702 -1.525 1.00 0.00 C ATOM 519 NH1 ARG A 43 9.168 -9.742 -0.431 1.00 0.00 N ATOM 520 NH2 ARG A 43 8.173 -10.806 -2.160 1.00 0.00 N ATOM 0 H ARG A 43 9.148 -3.381 -2.434 1.00 0.00 H new ATOM 0 HA ARG A 43 6.913 -3.896 -4.269 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.468 -6.164 -3.279 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.991 -6.161 -4.146 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.882 -5.377 -1.674 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.490 -6.325 -1.190 1.00 0.00 H new ATOM 0 HD2 ARG A 43 9.359 -7.497 -3.281 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.865 -7.525 -1.603 1.00 0.00 H new ATOM 0 HE ARG A 43 7.035 -8.414 -2.154 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.391 -8.879 0.064 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.501 -10.637 -0.072 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.618 -10.774 -3.015 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.506 -11.701 -1.801 1.00 0.00 H new ATOM 534 N PRO A 44 6.296 -2.386 -2.285 1.00 0.00 N ATOM 535 CA PRO A 44 5.551 -1.712 -1.194 1.00 0.00 C ATOM 536 C PRO A 44 4.105 -2.213 -1.141 1.00 0.00 C ATOM 537 O PRO A 44 3.500 -2.284 -0.087 1.00 0.00 O ATOM 538 CB PRO A 44 5.601 -0.236 -1.581 1.00 0.00 C ATOM 539 CG PRO A 44 5.790 -0.230 -3.064 1.00 0.00 C ATOM 540 CD PRO A 44 6.546 -1.486 -3.420 1.00 0.00 C ATOM 0 HA PRO A 44 5.974 -1.903 -0.208 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.682 0.277 -1.298 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.420 0.277 -1.077 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.828 -0.202 -3.575 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.344 0.655 -3.378 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.188 -1.915 -4.356 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.611 -1.289 -3.546 1.00 0.00 H new ATOM 548 N MET A 45 3.542 -2.562 -2.267 1.00 0.00 N ATOM 549 CA MET A 45 2.134 -3.059 -2.278 1.00 0.00 C ATOM 550 C MET A 45 1.960 -4.178 -1.247 1.00 0.00 C ATOM 551 O MET A 45 1.082 -4.132 -0.409 1.00 0.00 O ATOM 552 CB MET A 45 1.915 -3.594 -3.695 1.00 0.00 C ATOM 553 CG MET A 45 1.434 -2.459 -4.599 1.00 0.00 C ATOM 554 SD MET A 45 1.744 -2.893 -6.329 1.00 0.00 S ATOM 555 CE MET A 45 0.862 -1.500 -7.073 1.00 0.00 C ATOM 0 H MET A 45 3.996 -2.525 -3.180 1.00 0.00 H new ATOM 0 HA MET A 45 1.417 -2.279 -2.022 1.00 0.00 H new ATOM 0 HB2 MET A 45 2.842 -4.015 -4.084 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.180 -4.399 -3.682 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.370 -2.281 -4.443 1.00 0.00 H new ATOM 0 HG3 MET A 45 1.952 -1.534 -4.346 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.925 -1.568 -8.159 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.184 -1.527 -6.768 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.313 -0.565 -6.741 1.00 0.00 H new ATOM 565 N ALA A 46 2.793 -5.179 -1.301 1.00 0.00 N ATOM 566 CA ALA A 46 2.682 -6.299 -0.322 1.00 0.00 C ATOM 567 C ALA A 46 3.470 -5.973 0.953 1.00 0.00 C ATOM 568 O ALA A 46 3.333 -6.634 1.963 1.00 0.00 O ATOM 569 CB ALA A 46 3.287 -7.507 -1.035 1.00 0.00 C ATOM 0 H ALA A 46 3.547 -5.271 -1.981 1.00 0.00 H new ATOM 0 HA ALA A 46 1.651 -6.480 -0.016 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.243 -8.376 -0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.724 -7.711 -1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.326 -7.297 -1.290 1.00 0.00 H new ATOM 575 N PHE A 47 4.298 -4.961 0.915 1.00 0.00 N ATOM 576 CA PHE A 47 5.093 -4.600 2.124 1.00 0.00 C ATOM 577 C PHE A 47 4.163 -4.292 3.302 1.00 0.00 C ATOM 578 O PHE A 47 4.386 -4.733 4.413 1.00 0.00 O ATOM 579 CB PHE A 47 5.880 -3.354 1.721 1.00 0.00 C ATOM 580 CG PHE A 47 6.684 -2.862 2.900 1.00 0.00 C ATOM 581 CD1 PHE A 47 7.458 -3.769 3.658 1.00 0.00 C ATOM 582 CD2 PHE A 47 6.665 -1.491 3.245 1.00 0.00 C ATOM 583 CE1 PHE A 47 8.211 -3.306 4.760 1.00 0.00 C ATOM 584 CE2 PHE A 47 7.416 -1.028 4.347 1.00 0.00 C ATOM 585 CZ PHE A 47 8.189 -1.936 5.105 1.00 0.00 C ATOM 0 H PHE A 47 4.457 -4.370 0.099 1.00 0.00 H new ATOM 0 HA PHE A 47 5.747 -5.411 2.444 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.542 -3.584 0.886 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.198 -2.574 1.382 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.474 -4.816 3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.075 -0.797 2.665 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.803 -3.999 5.339 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.400 0.019 4.610 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.763 -1.583 5.949 1.00 0.00 H new ATOM 595 N LEU A 48 3.123 -3.538 3.070 1.00 0.00 N ATOM 596 CA LEU A 48 2.181 -3.203 4.180 1.00 0.00 C ATOM 597 C LEU A 48 1.724 -4.480 4.889 1.00 0.00 C ATOM 598 O LEU A 48 1.610 -4.525 6.100 1.00 0.00 O ATOM 599 CB LEU A 48 0.997 -2.512 3.503 1.00 0.00 C ATOM 600 CG LEU A 48 0.237 -1.676 4.534 1.00 0.00 C ATOM 601 CD1 LEU A 48 1.011 -0.389 4.821 1.00 0.00 C ATOM 602 CD2 LEU A 48 -1.146 -1.324 3.983 1.00 0.00 C ATOM 0 H LEU A 48 2.884 -3.139 2.162 1.00 0.00 H new ATOM 0 HA LEU A 48 2.644 -2.568 4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.349 -1.876 2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.333 -3.255 3.061 1.00 0.00 H new ATOM 0 HG LEU A 48 0.129 -2.248 5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.468 0.206 5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.998 -0.637 5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.120 0.183 3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.689 -0.728 4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.036 -0.753 3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.700 -2.240 3.778 1.00 0.00 H new ATOM 614 N ARG A 49 1.465 -5.522 4.147 1.00 0.00 N ATOM 615 CA ARG A 49 1.020 -6.794 4.782 1.00 0.00 C ATOM 616 C ARG A 49 2.077 -7.279 5.776 1.00 0.00 C ATOM 617 O ARG A 49 1.819 -7.415 6.955 1.00 0.00 O ATOM 618 CB ARG A 49 0.875 -7.784 3.625 1.00 0.00 C ATOM 619 CG ARG A 49 0.371 -9.126 4.158 1.00 0.00 C ATOM 620 CD ARG A 49 1.478 -10.173 4.033 1.00 0.00 C ATOM 621 NE ARG A 49 1.005 -11.108 2.976 1.00 0.00 N ATOM 622 CZ ARG A 49 0.984 -12.394 3.201 1.00 0.00 C ATOM 623 NH1 ARG A 49 0.004 -12.922 3.879 1.00 0.00 N ATOM 624 NH2 ARG A 49 1.948 -13.149 2.750 1.00 0.00 N ATOM 0 H ARG A 49 1.542 -5.547 3.130 1.00 0.00 H new ATOM 0 HA ARG A 49 0.089 -6.679 5.337 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.180 -7.392 2.883 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.834 -7.917 3.125 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.068 -9.025 5.200 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.509 -9.444 3.599 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.427 -9.713 3.757 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.638 -10.693 4.977 1.00 0.00 H new ATOM 0 HE ARG A 49 0.697 -10.744 2.075 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.747 -12.330 4.234 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.012 -13.927 4.054 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.716 -12.734 2.223 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.933 -14.154 2.925 1.00 0.00 H new ATOM 638 N GLU A 50 3.266 -7.540 5.308 1.00 0.00 N ATOM 639 CA GLU A 50 4.344 -8.013 6.224 1.00 0.00 C ATOM 640 C GLU A 50 4.853 -6.859 7.099 1.00 0.00 C ATOM 641 O GLU A 50 5.575 -7.068 8.054 1.00 0.00 O ATOM 642 CB GLU A 50 5.453 -8.519 5.301 1.00 0.00 C ATOM 643 CG GLU A 50 6.249 -9.617 6.012 1.00 0.00 C ATOM 644 CD GLU A 50 6.612 -10.711 5.006 1.00 0.00 C ATOM 645 OE1 GLU A 50 6.626 -10.422 3.823 1.00 0.00 O ATOM 646 OE2 GLU A 50 6.871 -11.823 5.440 1.00 0.00 O ATOM 0 H GLU A 50 3.539 -7.446 4.330 1.00 0.00 H new ATOM 0 HA GLU A 50 3.993 -8.788 6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.023 -8.907 4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.114 -7.697 5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.153 -9.198 6.453 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.661 -10.038 6.828 1.00 0.00 H new ATOM 653 N TYR A 51 4.490 -5.645 6.778 1.00 0.00 N ATOM 654 CA TYR A 51 4.960 -4.484 7.591 1.00 0.00 C ATOM 655 C TYR A 51 4.380 -4.553 9.011 1.00 0.00 C ATOM 656 O TYR A 51 5.079 -4.845 9.962 1.00 0.00 O ATOM 657 CB TYR A 51 4.440 -3.251 6.840 1.00 0.00 C ATOM 658 CG TYR A 51 4.615 -2.012 7.691 1.00 0.00 C ATOM 659 CD1 TYR A 51 5.842 -1.311 7.681 1.00 0.00 C ATOM 660 CD2 TYR A 51 3.549 -1.559 8.500 1.00 0.00 C ATOM 661 CE1 TYR A 51 6.002 -0.156 8.482 1.00 0.00 C ATOM 662 CE2 TYR A 51 3.710 -0.407 9.300 1.00 0.00 C ATOM 663 CZ TYR A 51 4.935 0.293 9.292 1.00 0.00 C ATOM 664 OH TYR A 51 5.087 1.417 10.077 1.00 0.00 O ATOM 0 H TYR A 51 3.889 -5.407 5.989 1.00 0.00 H new ATOM 0 HA TYR A 51 6.044 -4.464 7.706 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.978 -3.135 5.899 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.387 -3.385 6.590 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.657 -1.657 7.062 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.611 -2.094 8.506 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.939 0.382 8.474 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.895 -0.061 9.919 1.00 0.00 H new ATOM 0 HH TYR A 51 4.205 1.773 10.313 1.00 0.00 H new ATOM 674 N PHE A 52 3.116 -4.274 9.164 1.00 0.00 N ATOM 675 CA PHE A 52 2.503 -4.313 10.526 1.00 0.00 C ATOM 676 C PHE A 52 2.365 -5.757 11.014 1.00 0.00 C ATOM 677 O PHE A 52 2.218 -6.009 12.194 1.00 0.00 O ATOM 678 CB PHE A 52 1.126 -3.669 10.361 1.00 0.00 C ATOM 679 CG PHE A 52 0.827 -2.802 11.562 1.00 0.00 C ATOM 680 CD1 PHE A 52 0.395 -3.391 12.772 1.00 0.00 C ATOM 681 CD2 PHE A 52 0.979 -1.399 11.475 1.00 0.00 C ATOM 682 CE1 PHE A 52 0.117 -2.578 13.893 1.00 0.00 C ATOM 683 CE2 PHE A 52 0.699 -0.586 12.597 1.00 0.00 C ATOM 684 CZ PHE A 52 0.268 -1.176 13.806 1.00 0.00 C ATOM 0 H PHE A 52 2.480 -4.021 8.408 1.00 0.00 H new ATOM 0 HA PHE A 52 3.113 -3.791 11.263 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.100 -3.069 9.451 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.363 -4.440 10.257 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.277 -4.462 12.839 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.309 -0.948 10.551 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.211 -3.029 14.818 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.815 0.486 12.530 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.054 -0.555 14.664 1.00 0.00 H new ATOM 694 N GLU A 53 2.410 -6.708 10.122 1.00 0.00 N ATOM 695 CA GLU A 53 2.278 -8.131 10.549 1.00 0.00 C ATOM 696 C GLU A 53 3.524 -8.573 11.322 1.00 0.00 C ATOM 697 O GLU A 53 3.432 -9.121 12.402 1.00 0.00 O ATOM 698 CB GLU A 53 2.144 -8.922 9.248 1.00 0.00 C ATOM 699 CG GLU A 53 2.001 -10.412 9.569 1.00 0.00 C ATOM 700 CD GLU A 53 3.107 -11.196 8.862 1.00 0.00 C ATOM 701 OE1 GLU A 53 3.038 -11.315 7.649 1.00 0.00 O ATOM 702 OE2 GLU A 53 4.004 -11.664 9.543 1.00 0.00 O ATOM 0 H GLU A 53 2.532 -6.563 9.120 1.00 0.00 H new ATOM 0 HA GLU A 53 1.426 -8.286 11.211 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.276 -8.575 8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.018 -8.757 8.618 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.060 -10.570 10.646 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.024 -10.772 9.248 1.00 0.00 H new ATOM 709 N LYS A 54 4.688 -8.342 10.779 1.00 0.00 N ATOM 710 CA LYS A 54 5.934 -8.752 11.487 1.00 0.00 C ATOM 711 C LYS A 54 6.347 -7.681 12.500 1.00 0.00 C ATOM 712 O LYS A 54 6.894 -7.977 13.545 1.00 0.00 O ATOM 713 CB LYS A 54 6.991 -8.887 10.389 1.00 0.00 C ATOM 714 CG LYS A 54 7.798 -10.168 10.612 1.00 0.00 C ATOM 715 CD LYS A 54 8.248 -10.730 9.262 1.00 0.00 C ATOM 716 CE LYS A 54 9.732 -10.420 9.050 1.00 0.00 C ATOM 717 NZ LYS A 54 10.381 -11.750 8.884 1.00 0.00 N ATOM 0 H LYS A 54 4.830 -7.888 9.877 1.00 0.00 H new ATOM 0 HA LYS A 54 5.803 -9.680 12.043 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.513 -8.912 9.410 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.653 -8.021 10.398 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.665 -9.959 11.238 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.193 -10.904 11.141 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.082 -11.807 9.231 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.656 -10.293 8.458 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.883 -9.794 8.171 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.148 -9.881 9.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.402 -11.622 8.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.226 -12.321 9.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.969 -12.237 8.063 1.00 0.00 H new ATOM 731 N LEU A 55 6.093 -6.436 12.199 1.00 0.00 N ATOM 732 CA LEU A 55 6.468 -5.350 13.142 1.00 0.00 C ATOM 733 C LEU A 55 5.757 -5.541 14.484 1.00 0.00 C ATOM 734 O LEU A 55 6.185 -5.041 15.503 1.00 0.00 O ATOM 735 CB LEU A 55 5.998 -4.067 12.455 1.00 0.00 C ATOM 736 CG LEU A 55 6.334 -2.869 13.338 1.00 0.00 C ATOM 737 CD1 LEU A 55 7.677 -2.274 12.905 1.00 0.00 C ATOM 738 CD2 LEU A 55 5.239 -1.807 13.198 1.00 0.00 C ATOM 0 H LEU A 55 5.641 -6.126 11.339 1.00 0.00 H new ATOM 0 HA LEU A 55 7.536 -5.333 13.358 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.481 -3.964 11.483 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.924 -4.110 12.274 1.00 0.00 H new ATOM 0 HG LEU A 55 6.397 -3.192 14.377 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.916 -1.418 13.536 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.458 -3.028 13.004 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.614 -1.952 11.866 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.479 -0.951 13.829 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.175 -1.485 12.159 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.282 -2.228 13.507 1.00 0.00 H new ATOM 750 N GLU A 56 4.671 -6.268 14.491 1.00 0.00 N ATOM 751 CA GLU A 56 3.931 -6.493 15.766 1.00 0.00 C ATOM 752 C GLU A 56 4.881 -7.012 16.849 1.00 0.00 C ATOM 753 O GLU A 56 5.260 -6.292 17.753 1.00 0.00 O ATOM 754 CB GLU A 56 2.872 -7.544 15.427 1.00 0.00 C ATOM 755 CG GLU A 56 2.115 -7.938 16.697 1.00 0.00 C ATOM 756 CD GLU A 56 1.140 -9.079 16.386 1.00 0.00 C ATOM 757 OE1 GLU A 56 0.931 -9.352 15.214 1.00 0.00 O ATOM 758 OE2 GLU A 56 0.618 -9.657 17.323 1.00 0.00 O ATOM 0 H GLU A 56 4.265 -6.715 13.669 1.00 0.00 H new ATOM 0 HA GLU A 56 3.486 -5.576 16.153 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.178 -7.149 14.685 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.344 -8.422 14.986 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.819 -8.249 17.469 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.571 -7.079 17.089 1.00 0.00 H new ATOM 765 N LYS A 57 5.265 -8.255 16.770 1.00 0.00 N ATOM 766 CA LYS A 57 6.188 -8.819 17.796 1.00 0.00 C ATOM 767 C LYS A 57 7.645 -8.617 17.367 1.00 0.00 C ATOM 768 O LYS A 57 8.444 -9.532 17.400 1.00 0.00 O ATOM 769 CB LYS A 57 5.850 -10.307 17.861 1.00 0.00 C ATOM 770 CG LYS A 57 6.487 -10.925 19.106 1.00 0.00 C ATOM 771 CD LYS A 57 6.888 -12.371 18.814 1.00 0.00 C ATOM 772 CE LYS A 57 7.447 -13.015 20.085 1.00 0.00 C ATOM 773 NZ LYS A 57 8.307 -14.133 19.603 1.00 0.00 N ATOM 0 H LYS A 57 4.980 -8.906 16.039 1.00 0.00 H new ATOM 0 HA LYS A 57 6.072 -8.333 18.765 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.769 -10.444 17.888 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.213 -10.812 16.966 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.362 -10.347 19.404 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.785 -10.893 19.940 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.025 -12.934 18.458 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.635 -12.399 18.021 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.023 -12.298 20.671 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.646 -13.381 20.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.727 -14.624 20.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.731 -14.803 19.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.064 -13.753 19.000 1.00 0.00 H new ATOM 787 N GLU A 58 7.997 -7.426 16.967 1.00 0.00 N ATOM 788 CA GLU A 58 9.402 -7.168 16.538 1.00 0.00 C ATOM 789 C GLU A 58 10.292 -6.937 17.762 1.00 0.00 C ATOM 790 O GLU A 58 11.332 -7.546 17.910 1.00 0.00 O ATOM 791 CB GLU A 58 9.328 -5.902 15.682 1.00 0.00 C ATOM 792 CG GLU A 58 10.521 -5.865 14.724 1.00 0.00 C ATOM 793 CD GLU A 58 11.722 -5.214 15.419 1.00 0.00 C ATOM 794 OE1 GLU A 58 11.539 -4.668 16.496 1.00 0.00 O ATOM 795 OE2 GLU A 58 12.806 -5.272 14.862 1.00 0.00 O ATOM 0 H GLU A 58 7.373 -6.620 16.918 1.00 0.00 H new ATOM 0 HA GLU A 58 9.828 -8.007 15.988 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.395 -5.885 15.119 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.332 -5.018 16.320 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.776 -6.876 14.407 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.261 -5.305 13.826 1.00 0.00 H new ATOM 802 N GLU A 59 9.891 -6.061 18.641 1.00 0.00 N ATOM 803 CA GLU A 59 10.713 -5.790 19.856 1.00 0.00 C ATOM 804 C GLU A 59 9.872 -5.998 21.117 1.00 0.00 C ATOM 805 O GLU A 59 10.246 -6.729 22.013 1.00 0.00 O ATOM 806 CB GLU A 59 11.139 -4.327 19.729 1.00 0.00 C ATOM 807 CG GLU A 59 12.434 -4.103 20.512 1.00 0.00 C ATOM 808 CD GLU A 59 12.835 -2.630 20.423 1.00 0.00 C ATOM 809 OE1 GLU A 59 13.048 -2.159 19.318 1.00 0.00 O ATOM 810 OE2 GLU A 59 12.925 -1.998 21.463 1.00 0.00 O ATOM 0 H GLU A 59 9.029 -5.520 18.571 1.00 0.00 H new ATOM 0 HA GLU A 59 11.571 -6.457 19.933 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.287 -4.070 18.680 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.354 -3.674 20.110 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.296 -4.391 21.554 1.00 0.00 H new ATOM 0 HG3 GLU A 59 13.228 -4.732 20.110 1.00 0.00 H new ATOM 817 N ALA A 60 8.735 -5.361 21.194 1.00 0.00 N ATOM 818 CA ALA A 60 7.868 -5.522 22.397 1.00 0.00 C ATOM 819 C ALA A 60 6.603 -6.303 22.032 1.00 0.00 C ATOM 820 O ALA A 60 6.403 -6.686 20.898 1.00 0.00 O ATOM 821 CB ALA A 60 7.517 -4.100 22.827 1.00 0.00 C ATOM 0 H ALA A 60 8.369 -4.736 20.476 1.00 0.00 H new ATOM 0 HA ALA A 60 8.364 -6.075 23.194 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.878 -4.134 23.710 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.431 -3.555 23.061 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.990 -3.595 22.017 1.00 0.00 H new ATOM 827 N LYS A 61 5.745 -6.540 22.985 1.00 0.00 N ATOM 828 CA LYS A 61 4.494 -7.297 22.690 1.00 0.00 C ATOM 829 C LYS A 61 3.443 -6.363 22.081 1.00 0.00 C ATOM 830 O LYS A 61 3.341 -5.238 22.543 1.00 0.00 O ATOM 831 CB LYS A 61 4.022 -7.826 24.044 1.00 0.00 C ATOM 832 CG LYS A 61 2.866 -8.807 23.835 1.00 0.00 C ATOM 833 CD LYS A 61 2.266 -9.183 25.190 1.00 0.00 C ATOM 834 CE LYS A 61 0.888 -9.817 24.982 1.00 0.00 C ATOM 835 NZ LYS A 61 0.029 -9.221 26.043 1.00 0.00 N ATOM 836 OXT LYS A 61 2.758 -6.790 21.166 1.00 0.00 O ATOM 0 H LYS A 61 5.855 -6.243 23.955 1.00 0.00 H new ATOM 0 HA LYS A 61 4.657 -8.102 21.973 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.845 -8.322 24.559 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.701 -6.999 24.677 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.103 -8.357 23.200 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.221 -9.701 23.322 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.924 -9.880 25.710 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.179 -8.297 25.819 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.498 -9.598 23.988 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.934 -10.902 25.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.934 -9.606 25.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.422 -9.452 26.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.001 -8.188 25.926 1.00 0.00 H new TER 850 LYS A 61 ATOM 851 N SER B 12 20.088 15.441 7.392 1.00 0.00 N ATOM 852 CA SER B 12 18.822 16.230 7.366 1.00 0.00 C ATOM 853 C SER B 12 17.696 15.403 6.742 1.00 0.00 C ATOM 854 O SER B 12 17.702 15.117 5.560 1.00 0.00 O ATOM 855 CB SER B 12 19.135 17.448 6.499 1.00 0.00 C ATOM 856 OG SER B 12 19.168 18.610 7.316 1.00 0.00 O ATOM 0 HA SER B 12 18.491 16.514 8.365 1.00 0.00 H new ATOM 0 HB2 SER B 12 20.093 17.315 5.997 1.00 0.00 H new ATOM 0 HB3 SER B 12 18.380 17.558 5.720 1.00 0.00 H new ATOM 0 HG SER B 12 19.370 19.393 6.763 1.00 0.00 H new ATOM 864 N LEU B 13 16.726 15.016 7.526 1.00 0.00 N ATOM 865 CA LEU B 13 15.600 14.208 6.976 1.00 0.00 C ATOM 866 C LEU B 13 14.471 15.124 6.485 1.00 0.00 C ATOM 867 O LEU B 13 13.349 14.696 6.309 1.00 0.00 O ATOM 868 CB LEU B 13 15.121 13.348 8.144 1.00 0.00 C ATOM 869 CG LEU B 13 14.535 12.039 7.609 1.00 0.00 C ATOM 870 CD1 LEU B 13 15.484 10.884 7.931 1.00 0.00 C ATOM 871 CD2 LEU B 13 13.178 11.780 8.268 1.00 0.00 C ATOM 0 H LEU B 13 16.665 15.224 8.523 1.00 0.00 H new ATOM 0 HA LEU B 13 15.909 13.604 6.123 1.00 0.00 H new ATOM 0 HB2 LEU B 13 15.951 13.138 8.819 1.00 0.00 H new ATOM 0 HB3 LEU B 13 14.369 13.886 8.721 1.00 0.00 H new ATOM 0 HG LEU B 13 14.408 12.115 6.529 1.00 0.00 H new ATOM 0 HD11 LEU B 13 15.066 9.952 7.550 1.00 0.00 H new ATOM 0 HD12 LEU B 13 16.451 11.066 7.462 1.00 0.00 H new ATOM 0 HD13 LEU B 13 15.612 10.809 9.011 1.00 0.00 H new ATOM 0 HD21 LEU B 13 12.761 10.848 7.887 1.00 0.00 H new ATOM 0 HD22 LEU B 13 13.306 11.706 9.348 1.00 0.00 H new ATOM 0 HD23 LEU B 13 12.500 12.602 8.039 1.00 0.00 H new ATOM 883 N ARG B 14 14.760 16.379 6.265 1.00 0.00 N ATOM 884 CA ARG B 14 13.702 17.311 5.783 1.00 0.00 C ATOM 885 C ARG B 14 13.482 17.127 4.280 1.00 0.00 C ATOM 886 O ARG B 14 12.440 17.452 3.748 1.00 0.00 O ATOM 887 CB ARG B 14 14.238 18.712 6.080 1.00 0.00 C ATOM 888 CG ARG B 14 13.091 19.611 6.548 1.00 0.00 C ATOM 889 CD ARG B 14 13.636 20.688 7.489 1.00 0.00 C ATOM 890 NE ARG B 14 13.307 20.206 8.858 1.00 0.00 N ATOM 891 CZ ARG B 14 14.165 20.362 9.828 1.00 0.00 C ATOM 892 NH1 ARG B 14 14.308 21.532 10.388 1.00 0.00 N ATOM 893 NH2 ARG B 14 14.879 19.350 10.238 1.00 0.00 N ATOM 0 H ARG B 14 15.681 16.797 6.398 1.00 0.00 H new ATOM 0 HA ARG B 14 12.743 17.133 6.269 1.00 0.00 H new ATOM 0 HB2 ARG B 14 15.011 18.662 6.847 1.00 0.00 H new ATOM 0 HB3 ARG B 14 14.702 19.132 5.187 1.00 0.00 H new ATOM 0 HG2 ARG B 14 12.606 20.075 5.690 1.00 0.00 H new ATOM 0 HG3 ARG B 14 12.334 19.016 7.059 1.00 0.00 H new ATOM 0 HD2 ARG B 14 14.711 20.815 7.363 1.00 0.00 H new ATOM 0 HD3 ARG B 14 13.176 21.656 7.290 1.00 0.00 H new ATOM 0 HE ARG B 14 12.411 19.754 9.038 1.00 0.00 H new ATOM 0 HH11 ARG B 14 13.749 22.323 10.067 1.00 0.00 H new ATOM 0 HH12 ARG B 14 14.978 21.656 11.147 1.00 0.00 H new ATOM 0 HH21 ARG B 14 14.767 18.436 9.800 1.00 0.00 H new ATOM 0 HH22 ARG B 14 15.550 19.473 10.997 1.00 0.00 H new ATOM 907 N GLU B 15 14.462 16.606 3.590 1.00 0.00 N ATOM 908 CA GLU B 15 14.314 16.398 2.121 1.00 0.00 C ATOM 909 C GLU B 15 13.605 15.069 1.828 1.00 0.00 C ATOM 910 O GLU B 15 13.230 14.795 0.704 1.00 0.00 O ATOM 911 CB GLU B 15 15.745 16.372 1.580 1.00 0.00 C ATOM 912 CG GLU B 15 16.529 15.246 2.257 1.00 0.00 C ATOM 913 CD GLU B 15 17.570 14.691 1.282 1.00 0.00 C ATOM 914 OE1 GLU B 15 17.171 14.080 0.304 1.00 0.00 O ATOM 915 OE2 GLU B 15 18.750 14.882 1.532 1.00 0.00 O ATOM 0 H GLU B 15 15.358 16.316 3.981 1.00 0.00 H new ATOM 0 HA GLU B 15 13.712 17.180 1.658 1.00 0.00 H new ATOM 0 HB2 GLU B 15 15.734 16.223 0.500 1.00 0.00 H new ATOM 0 HB3 GLU B 15 16.232 17.330 1.764 1.00 0.00 H new ATOM 0 HG2 GLU B 15 17.020 15.620 3.156 1.00 0.00 H new ATOM 0 HG3 GLU B 15 15.850 14.453 2.571 1.00 0.00 H new ATOM 922 N CYS B 16 13.414 14.243 2.822 1.00 0.00 N ATOM 923 CA CYS B 16 12.728 12.939 2.585 1.00 0.00 C ATOM 924 C CYS B 16 11.216 13.151 2.421 1.00 0.00 C ATOM 925 O CYS B 16 10.507 12.274 1.970 1.00 0.00 O ATOM 926 CB CYS B 16 13.020 12.102 3.832 1.00 0.00 C ATOM 927 SG CYS B 16 12.257 10.467 3.659 1.00 0.00 S ATOM 0 H CYS B 16 13.702 14.414 3.785 1.00 0.00 H new ATOM 0 HA CYS B 16 13.079 12.451 1.675 1.00 0.00 H new ATOM 0 HB2 CYS B 16 14.096 11.999 3.970 1.00 0.00 H new ATOM 0 HB3 CYS B 16 12.632 12.604 4.718 1.00 0.00 H new ATOM 932 N GLU B 17 10.720 14.302 2.784 1.00 0.00 N ATOM 933 CA GLU B 17 9.256 14.560 2.646 1.00 0.00 C ATOM 934 C GLU B 17 8.841 14.522 1.172 1.00 0.00 C ATOM 935 O GLU B 17 7.675 14.408 0.851 1.00 0.00 O ATOM 936 CB GLU B 17 9.045 15.959 3.227 1.00 0.00 C ATOM 937 CG GLU B 17 7.620 16.079 3.769 1.00 0.00 C ATOM 938 CD GLU B 17 7.528 15.383 5.128 1.00 0.00 C ATOM 939 OE1 GLU B 17 8.560 15.213 5.755 1.00 0.00 O ATOM 940 OE2 GLU B 17 6.426 15.033 5.519 1.00 0.00 O ATOM 0 H GLU B 17 11.263 15.075 3.170 1.00 0.00 H new ATOM 0 HA GLU B 17 8.657 13.808 3.160 1.00 0.00 H new ATOM 0 HB2 GLU B 17 9.765 16.145 4.024 1.00 0.00 H new ATOM 0 HB3 GLU B 17 9.218 16.713 2.459 1.00 0.00 H new ATOM 0 HG2 GLU B 17 7.345 17.129 3.867 1.00 0.00 H new ATOM 0 HG3 GLU B 17 6.915 15.629 3.070 1.00 0.00 H new ATOM 947 N LEU B 18 9.783 14.618 0.272 1.00 0.00 N ATOM 948 CA LEU B 18 9.432 14.588 -1.179 1.00 0.00 C ATOM 949 C LEU B 18 8.854 13.223 -1.562 1.00 0.00 C ATOM 950 O LEU B 18 8.239 13.070 -2.599 1.00 0.00 O ATOM 951 CB LEU B 18 10.748 14.842 -1.914 1.00 0.00 C ATOM 952 CG LEU B 18 10.489 15.740 -3.126 1.00 0.00 C ATOM 953 CD1 LEU B 18 10.035 17.122 -2.650 1.00 0.00 C ATOM 954 CD2 LEU B 18 11.776 15.882 -3.941 1.00 0.00 C ATOM 0 H LEU B 18 10.777 14.716 0.477 1.00 0.00 H new ATOM 0 HA LEU B 18 8.675 15.331 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU B 18 11.466 15.315 -1.244 1.00 0.00 H new ATOM 0 HB3 LEU B 18 11.186 13.897 -2.235 1.00 0.00 H new ATOM 0 HG LEU B 18 9.712 15.295 -3.747 1.00 0.00 H new ATOM 0 HD11 LEU B 18 9.851 17.762 -3.513 1.00 0.00 H new ATOM 0 HD12 LEU B 18 9.118 17.024 -2.069 1.00 0.00 H new ATOM 0 HD13 LEU B 18 10.813 17.566 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU B 18 11.591 16.522 -4.804 1.00 0.00 H new ATOM 0 HD22 LEU B 18 12.553 16.327 -3.319 1.00 0.00 H new ATOM 0 HD23 LEU B 18 12.102 14.899 -4.281 1.00 0.00 H new ATOM 966 N TYR B 19 9.043 12.225 -0.736 1.00 0.00 N ATOM 967 CA TYR B 19 8.497 10.874 -1.061 1.00 0.00 C ATOM 968 C TYR B 19 7.009 10.977 -1.402 1.00 0.00 C ATOM 969 O TYR B 19 6.589 10.667 -2.498 1.00 0.00 O ATOM 970 CB TYR B 19 8.700 10.048 0.208 1.00 0.00 C ATOM 971 CG TYR B 19 8.302 8.615 -0.056 1.00 0.00 C ATOM 972 CD1 TYR B 19 8.789 7.946 -1.200 1.00 0.00 C ATOM 973 CD2 TYR B 19 7.441 7.944 0.842 1.00 0.00 C ATOM 974 CE1 TYR B 19 8.417 6.606 -1.448 1.00 0.00 C ATOM 975 CE2 TYR B 19 7.067 6.604 0.592 1.00 0.00 C ATOM 976 CZ TYR B 19 7.556 5.936 -0.552 1.00 0.00 C ATOM 977 OH TYR B 19 7.192 4.627 -0.796 1.00 0.00 O ATOM 0 H TYR B 19 9.550 12.288 0.147 1.00 0.00 H new ATOM 0 HA TYR B 19 8.991 10.424 -1.922 1.00 0.00 H new ATOM 0 HB2 TYR B 19 9.743 10.095 0.523 1.00 0.00 H new ATOM 0 HB3 TYR B 19 8.102 10.459 1.022 1.00 0.00 H new ATOM 0 HD1 TYR B 19 9.447 8.459 -1.886 1.00 0.00 H new ATOM 0 HD2 TYR B 19 7.069 8.455 1.718 1.00 0.00 H new ATOM 0 HE1 TYR B 19 8.791 6.094 -2.323 1.00 0.00 H new ATOM 0 HE2 TYR B 19 6.407 6.091 1.276 1.00 0.00 H new ATOM 0 HH TYR B 19 6.528 4.601 -1.517 1.00 0.00 H new ATOM 987 N VAL B 20 6.214 11.420 -0.468 1.00 0.00 N ATOM 988 CA VAL B 20 4.749 11.560 -0.725 1.00 0.00 C ATOM 989 C VAL B 20 4.489 12.694 -1.721 1.00 0.00 C ATOM 990 O VAL B 20 3.797 13.646 -1.416 1.00 0.00 O ATOM 991 CB VAL B 20 4.144 11.902 0.641 1.00 0.00 C ATOM 992 CG1 VAL B 20 4.504 10.808 1.647 1.00 0.00 C ATOM 993 CG2 VAL B 20 4.702 13.242 1.131 1.00 0.00 C ATOM 0 H VAL B 20 6.515 11.693 0.467 1.00 0.00 H new ATOM 0 HA VAL B 20 4.317 10.656 -1.154 1.00 0.00 H new ATOM 0 HB VAL B 20 3.060 11.972 0.547 1.00 0.00 H new ATOM 0 HG11 VAL B 20 4.074 11.051 2.619 1.00 0.00 H new ATOM 0 HG12 VAL B 20 4.107 9.853 1.303 1.00 0.00 H new ATOM 0 HG13 VAL B 20 5.588 10.739 1.737 1.00 0.00 H new ATOM 0 HG21 VAL B 20 4.270 13.483 2.102 1.00 0.00 H new ATOM 0 HG22 VAL B 20 5.786 13.173 1.223 1.00 0.00 H new ATOM 0 HG23 VAL B 20 4.448 14.025 0.417 1.00 0.00 H new ATOM 1003 N GLN B 21 5.023 12.603 -2.916 1.00 0.00 N ATOM 1004 CA GLN B 21 4.779 13.682 -3.918 1.00 0.00 C ATOM 1005 C GLN B 21 3.273 13.920 -4.022 1.00 0.00 C ATOM 1006 O GLN B 21 2.728 14.796 -3.380 1.00 0.00 O ATOM 1007 CB GLN B 21 5.341 13.145 -5.236 1.00 0.00 C ATOM 1008 CG GLN B 21 6.668 13.839 -5.545 1.00 0.00 C ATOM 1009 CD GLN B 21 6.929 13.798 -7.052 1.00 0.00 C ATOM 1010 OE1 GLN B 21 6.413 12.943 -7.745 1.00 0.00 O ATOM 1011 NE2 GLN B 21 7.711 14.692 -7.590 1.00 0.00 N ATOM 0 H GLN B 21 5.612 11.834 -3.236 1.00 0.00 H new ATOM 0 HA GLN B 21 5.248 14.629 -3.652 1.00 0.00 H new ATOM 0 HB2 GLN B 21 5.489 12.067 -5.168 1.00 0.00 H new ATOM 0 HB3 GLN B 21 4.631 13.319 -6.044 1.00 0.00 H new ATOM 0 HG2 GLN B 21 6.639 14.872 -5.199 1.00 0.00 H new ATOM 0 HG3 GLN B 21 7.481 13.346 -5.011 1.00 0.00 H new ATOM 0 HE21 GLN B 21 8.143 15.409 -7.007 1.00 0.00 H new ATOM 0 HE22 GLN B 21 7.891 14.675 -8.594 1.00 0.00 H new ATOM 1020 N LYS B 22 2.590 13.115 -4.783 1.00 0.00 N ATOM 1021 CA LYS B 22 1.117 13.263 -4.871 1.00 0.00 C ATOM 1022 C LYS B 22 0.512 12.480 -3.707 1.00 0.00 C ATOM 1023 O LYS B 22 -0.285 12.985 -2.939 1.00 0.00 O ATOM 1024 CB LYS B 22 0.725 12.646 -6.214 1.00 0.00 C ATOM 1025 CG LYS B 22 1.469 13.365 -7.342 1.00 0.00 C ATOM 1026 CD LYS B 22 0.461 14.059 -8.260 1.00 0.00 C ATOM 1027 CE LYS B 22 0.114 15.436 -7.687 1.00 0.00 C ATOM 1028 NZ LYS B 22 -1.370 15.523 -7.768 1.00 0.00 N ATOM 0 H LYS B 22 2.988 12.363 -5.346 1.00 0.00 H new ATOM 0 HA LYS B 22 0.771 14.295 -4.813 1.00 0.00 H new ATOM 0 HB2 LYS B 22 0.968 11.583 -6.223 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -0.352 12.728 -6.364 1.00 0.00 H new ATOM 0 HG2 LYS B 22 2.161 14.097 -6.926 1.00 0.00 H new ATOM 0 HG3 LYS B 22 2.064 12.651 -7.912 1.00 0.00 H new ATOM 0 HD2 LYS B 22 0.878 14.164 -9.262 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -0.441 13.453 -8.352 1.00 0.00 H new ATOM 0 HE2 LYS B 22 0.460 15.534 -6.658 1.00 0.00 H new ATOM 0 HE3 LYS B 22 0.588 16.233 -8.260 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -1.685 16.440 -7.393 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -1.669 15.433 -8.760 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -1.794 14.756 -7.208 1.00 0.00 H new ATOM 1042 N HIS B 23 0.919 11.247 -3.565 1.00 0.00 N ATOM 1043 CA HIS B 23 0.420 10.406 -2.443 1.00 0.00 C ATOM 1044 C HIS B 23 1.199 9.089 -2.396 1.00 0.00 C ATOM 1045 O HIS B 23 0.627 8.022 -2.283 1.00 0.00 O ATOM 1046 CB HIS B 23 -1.050 10.154 -2.743 1.00 0.00 C ATOM 1047 CG HIS B 23 -1.196 9.541 -4.110 1.00 0.00 C ATOM 1048 ND1 HIS B 23 -0.818 8.236 -4.379 1.00 0.00 N ATOM 1049 CD2 HIS B 23 -1.681 10.043 -5.291 1.00 0.00 C ATOM 1050 CE1 HIS B 23 -1.081 7.997 -5.677 1.00 0.00 C ATOM 1051 NE2 HIS B 23 -1.607 9.066 -6.280 1.00 0.00 N ATOM 0 H HIS B 23 1.583 10.784 -4.186 1.00 0.00 H new ATOM 0 HA HIS B 23 0.548 10.891 -1.475 1.00 0.00 H new ATOM 0 HB2 HIS B 23 -1.475 9.490 -1.990 1.00 0.00 H new ATOM 0 HB3 HIS B 23 -1.606 11.090 -2.693 1.00 0.00 H new ATOM 0 HD1 HIS B 23 -0.414 7.576 -3.714 1.00 0.00 H new ATOM 0 HD2 HIS B 23 -2.062 11.044 -5.432 1.00 0.00 H new ATOM 0 HE1 HIS B 23 -0.890 7.056 -6.171 1.00 0.00 H new ATOM 1059 N ASN B 24 2.498 9.155 -2.493 1.00 0.00 N ATOM 1060 CA ASN B 24 3.321 7.909 -2.466 1.00 0.00 C ATOM 1061 C ASN B 24 2.898 7.001 -1.303 1.00 0.00 C ATOM 1062 O ASN B 24 2.623 5.832 -1.486 1.00 0.00 O ATOM 1063 CB ASN B 24 4.757 8.396 -2.275 1.00 0.00 C ATOM 1064 CG ASN B 24 5.724 7.412 -2.939 1.00 0.00 C ATOM 1065 OD1 ASN B 24 5.567 6.132 -2.747 1.00 0.00 O flip ATOM 1066 ND2 ASN B 24 6.630 7.814 -3.641 1.00 0.00 N flip ATOM 0 H ASN B 24 3.029 10.021 -2.590 1.00 0.00 H new ATOM 0 HA ASN B 24 3.202 7.319 -3.375 1.00 0.00 H new ATOM 0 HB2 ASN B 24 4.876 9.388 -2.710 1.00 0.00 H new ATOM 0 HB3 ASN B 24 4.984 8.484 -1.213 1.00 0.00 H new ATOM 0 HD21 ASN B 24 6.753 8.815 -3.791 1.00 0.00 H new ATOM 0 HD22 ASN B 24 7.268 7.150 -4.080 1.00 0.00 H new ATOM 1073 N ILE B 25 2.845 7.531 -0.115 1.00 0.00 N ATOM 1074 CA ILE B 25 2.440 6.698 1.057 1.00 0.00 C ATOM 1075 C ILE B 25 0.923 6.767 1.253 1.00 0.00 C ATOM 1076 O ILE B 25 0.275 5.785 1.552 1.00 0.00 O ATOM 1077 CB ILE B 25 3.184 7.313 2.250 1.00 0.00 C ATOM 1078 CG1 ILE B 25 3.105 6.359 3.445 1.00 0.00 C ATOM 1079 CG2 ILE B 25 2.567 8.663 2.632 1.00 0.00 C ATOM 1080 CD1 ILE B 25 4.130 5.237 3.274 1.00 0.00 C ATOM 0 H ILE B 25 3.064 8.504 0.099 1.00 0.00 H new ATOM 0 HA ILE B 25 2.687 5.644 0.930 1.00 0.00 H new ATOM 0 HB ILE B 25 4.225 7.472 1.970 1.00 0.00 H new ATOM 0 HG12 ILE B 25 3.296 6.902 4.370 1.00 0.00 H new ATOM 0 HG13 ILE B 25 2.102 5.940 3.523 1.00 0.00 H new ATOM 0 HG21 ILE B 25 3.108 9.083 3.480 1.00 0.00 H new ATOM 0 HG22 ILE B 25 2.633 9.346 1.785 1.00 0.00 H new ATOM 0 HG23 ILE B 25 1.521 8.521 2.903 1.00 0.00 H new ATOM 0 HD11 ILE B 25 4.073 4.559 4.125 1.00 0.00 H new ATOM 0 HD12 ILE B 25 3.918 4.687 2.357 1.00 0.00 H new ATOM 0 HD13 ILE B 25 5.131 5.664 3.217 1.00 0.00 H new ATOM 1092 N GLN B 26 0.361 7.932 1.092 1.00 0.00 N ATOM 1093 CA GLN B 26 -1.112 8.088 1.268 1.00 0.00 C ATOM 1094 C GLN B 26 -1.870 7.109 0.367 1.00 0.00 C ATOM 1095 O GLN B 26 -3.026 6.813 0.595 1.00 0.00 O ATOM 1096 CB GLN B 26 -1.407 9.530 0.853 1.00 0.00 C ATOM 1097 CG GLN B 26 -1.305 10.447 2.073 1.00 0.00 C ATOM 1098 CD GLN B 26 -2.110 11.721 1.820 1.00 0.00 C ATOM 1099 OE1 GLN B 26 -1.614 12.814 2.005 1.00 0.00 O ATOM 1100 NE2 GLN B 26 -3.344 11.629 1.401 1.00 0.00 N ATOM 0 H GLN B 26 0.859 8.787 0.845 1.00 0.00 H new ATOM 0 HA GLN B 26 -1.425 7.880 2.291 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -0.702 9.850 0.086 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -2.404 9.597 0.418 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -1.682 9.935 2.959 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -0.262 10.696 2.268 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -3.763 10.712 1.245 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -3.889 12.474 1.230 1.00 0.00 H new ATOM 1109 N ALA B 27 -1.232 6.607 -0.659 1.00 0.00 N ATOM 1110 CA ALA B 27 -1.916 5.649 -1.580 1.00 0.00 C ATOM 1111 C ALA B 27 -2.651 4.563 -0.787 1.00 0.00 C ATOM 1112 O ALA B 27 -3.782 4.226 -1.079 1.00 0.00 O ATOM 1113 CB ALA B 27 -0.790 5.032 -2.410 1.00 0.00 C ATOM 0 H ALA B 27 -0.264 6.820 -0.900 1.00 0.00 H new ATOM 0 HA ALA B 27 -2.665 6.143 -2.199 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -1.209 4.314 -3.115 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -0.270 5.817 -2.958 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -0.087 4.524 -1.749 1.00 0.00 H new ATOM 1119 N LEU B 28 -2.018 4.013 0.210 1.00 0.00 N ATOM 1120 CA LEU B 28 -2.683 2.947 1.018 1.00 0.00 C ATOM 1121 C LEU B 28 -3.671 3.568 2.013 1.00 0.00 C ATOM 1122 O LEU B 28 -4.594 2.925 2.469 1.00 0.00 O ATOM 1123 CB LEU B 28 -1.541 2.247 1.757 1.00 0.00 C ATOM 1124 CG LEU B 28 -0.833 3.245 2.671 1.00 0.00 C ATOM 1125 CD1 LEU B 28 -1.155 2.919 4.130 1.00 0.00 C ATOM 1126 CD2 LEU B 28 0.679 3.154 2.450 1.00 0.00 C ATOM 0 H LEU B 28 -1.071 4.253 0.502 1.00 0.00 H new ATOM 0 HA LEU B 28 -3.256 2.256 0.400 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -1.930 1.415 2.343 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -0.833 1.829 1.041 1.00 0.00 H new ATOM 0 HG LEU B 28 -1.175 4.254 2.441 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -0.650 3.631 4.782 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -2.232 2.983 4.288 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -0.814 1.910 4.361 1.00 0.00 H new ATOM 0 HD21 LEU B 28 1.185 3.866 3.102 1.00 0.00 H new ATOM 0 HD22 LEU B 28 1.020 2.145 2.680 1.00 0.00 H new ATOM 0 HD23 LEU B 28 0.909 3.387 1.410 1.00 0.00 H new ATOM 1138 N LEU B 29 -3.482 4.814 2.354 1.00 0.00 N ATOM 1139 CA LEU B 29 -4.412 5.470 3.319 1.00 0.00 C ATOM 1140 C LEU B 29 -5.733 5.825 2.630 1.00 0.00 C ATOM 1141 O LEU B 29 -6.742 6.031 3.275 1.00 0.00 O ATOM 1142 CB LEU B 29 -3.685 6.737 3.773 1.00 0.00 C ATOM 1143 CG LEU B 29 -3.436 6.669 5.282 1.00 0.00 C ATOM 1144 CD1 LEU B 29 -2.598 5.430 5.607 1.00 0.00 C ATOM 1145 CD2 LEU B 29 -2.685 7.924 5.732 1.00 0.00 C ATOM 0 H LEU B 29 -2.726 5.405 2.008 1.00 0.00 H new ATOM 0 HA LEU B 29 -4.660 4.819 4.158 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -2.739 6.836 3.241 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -4.280 7.617 3.531 1.00 0.00 H new ATOM 0 HG LEU B 29 -4.391 6.609 5.805 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -2.421 5.382 6.681 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -3.132 4.535 5.287 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.643 5.489 5.084 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -2.507 7.876 6.806 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -1.731 7.984 5.209 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -3.281 8.807 5.502 1.00 0.00 H new ATOM 1157 N LYS B 30 -5.738 5.896 1.327 1.00 0.00 N ATOM 1158 CA LYS B 30 -6.999 6.237 0.606 1.00 0.00 C ATOM 1159 C LYS B 30 -8.111 5.259 0.998 1.00 0.00 C ATOM 1160 O LYS B 30 -9.116 5.642 1.564 1.00 0.00 O ATOM 1161 CB LYS B 30 -6.659 6.094 -0.878 1.00 0.00 C ATOM 1162 CG LYS B 30 -6.354 7.472 -1.469 1.00 0.00 C ATOM 1163 CD LYS B 30 -5.916 7.318 -2.926 1.00 0.00 C ATOM 1164 CE LYS B 30 -6.300 8.573 -3.712 1.00 0.00 C ATOM 1165 NZ LYS B 30 -5.216 8.742 -4.719 1.00 0.00 N ATOM 0 H LYS B 30 -4.926 5.733 0.731 1.00 0.00 H new ATOM 0 HA LYS B 30 -7.355 7.239 0.847 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -5.800 5.435 -1.003 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -7.492 5.635 -1.410 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -7.237 8.108 -1.409 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -5.569 7.961 -0.892 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -4.839 7.159 -2.978 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -6.389 6.441 -3.368 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -7.271 8.456 -4.193 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -6.371 9.442 -3.058 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -5.408 9.584 -5.298 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -4.305 8.858 -4.232 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -5.177 7.902 -5.331 1.00 0.00 H new ATOM 1179 N ASP B 31 -7.937 4.000 0.704 1.00 0.00 N ATOM 1180 CA ASP B 31 -8.983 2.998 1.058 1.00 0.00 C ATOM 1181 C ASP B 31 -9.044 2.806 2.576 1.00 0.00 C ATOM 1182 O ASP B 31 -10.078 2.488 3.129 1.00 0.00 O ATOM 1183 CB ASP B 31 -8.539 1.704 0.374 1.00 0.00 C ATOM 1184 CG ASP B 31 -9.670 1.179 -0.512 1.00 0.00 C ATOM 1185 OD1 ASP B 31 -10.800 1.165 -0.052 1.00 0.00 O ATOM 1186 OD2 ASP B 31 -9.387 0.800 -1.637 1.00 0.00 O ATOM 0 H ASP B 31 -7.115 3.621 0.234 1.00 0.00 H new ATOM 0 HA ASP B 31 -9.977 3.311 0.738 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -7.647 1.885 -0.226 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.273 0.958 1.123 1.00 0.00 H new ATOM 1191 N SER B 32 -7.944 2.991 3.254 1.00 0.00 N ATOM 1192 CA SER B 32 -7.940 2.815 4.733 1.00 0.00 C ATOM 1193 C SER B 32 -8.857 3.850 5.393 1.00 0.00 C ATOM 1194 O SER B 32 -9.732 3.515 6.166 1.00 0.00 O ATOM 1195 CB SER B 32 -6.491 3.036 5.156 1.00 0.00 C ATOM 1196 OG SER B 32 -6.128 2.056 6.121 1.00 0.00 O ATOM 0 H SER B 32 -7.047 3.257 2.847 1.00 0.00 H new ATOM 0 HA SER B 32 -8.305 1.832 5.031 1.00 0.00 H new ATOM 0 HB2 SER B 32 -5.833 2.971 4.289 1.00 0.00 H new ATOM 0 HB3 SER B 32 -6.370 4.036 5.573 1.00 0.00 H new ATOM 0 HG SER B 32 -6.339 1.163 5.776 1.00 0.00 H new ATOM 1202 N ILE B 33 -8.661 5.103 5.092 1.00 0.00 N ATOM 1203 CA ILE B 33 -9.520 6.158 5.702 1.00 0.00 C ATOM 1204 C ILE B 33 -10.994 5.893 5.377 1.00 0.00 C ATOM 1205 O ILE B 33 -11.869 6.131 6.185 1.00 0.00 O ATOM 1206 CB ILE B 33 -9.053 7.467 5.062 1.00 0.00 C ATOM 1207 CG1 ILE B 33 -7.614 7.763 5.499 1.00 0.00 C ATOM 1208 CG2 ILE B 33 -9.962 8.613 5.509 1.00 0.00 C ATOM 1209 CD1 ILE B 33 -7.062 8.932 4.682 1.00 0.00 C ATOM 0 H ILE B 33 -7.944 5.443 4.451 1.00 0.00 H new ATOM 0 HA ILE B 33 -9.436 6.184 6.788 1.00 0.00 H new ATOM 0 HB ILE B 33 -9.096 7.372 3.977 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -7.588 8.004 6.562 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -6.991 6.880 5.357 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -9.626 9.543 5.051 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -10.987 8.406 5.201 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -9.922 8.707 6.594 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -6.039 9.142 4.993 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -7.074 8.673 3.623 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -7.680 9.815 4.847 1.00 0.00 H new ATOM 1221 N VAL B 34 -11.274 5.399 4.202 1.00 0.00 N ATOM 1222 CA VAL B 34 -12.690 5.121 3.831 1.00 0.00 C ATOM 1223 C VAL B 34 -13.304 4.116 4.809 1.00 0.00 C ATOM 1224 O VAL B 34 -14.467 4.200 5.155 1.00 0.00 O ATOM 1225 CB VAL B 34 -12.622 4.529 2.423 1.00 0.00 C ATOM 1226 CG1 VAL B 34 -14.025 4.114 1.975 1.00 0.00 C ATOM 1227 CG2 VAL B 34 -12.070 5.581 1.458 1.00 0.00 C ATOM 0 H VAL B 34 -10.585 5.176 3.484 1.00 0.00 H new ATOM 0 HA VAL B 34 -13.310 6.017 3.866 1.00 0.00 H new ATOM 0 HB VAL B 34 -11.969 3.656 2.426 1.00 0.00 H new ATOM 0 HG11 VAL B 34 -13.976 3.692 0.971 1.00 0.00 H new ATOM 0 HG12 VAL B 34 -14.421 3.368 2.664 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -14.678 4.986 1.971 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -12.020 5.162 0.453 1.00 0.00 H new ATOM 0 HG22 VAL B 34 -12.725 6.452 1.456 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -11.071 5.879 1.777 1.00 0.00 H new ATOM 1237 N GLN B 35 -12.532 3.165 5.260 1.00 0.00 N ATOM 1238 CA GLN B 35 -13.071 2.157 6.218 1.00 0.00 C ATOM 1239 C GLN B 35 -12.694 2.546 7.650 1.00 0.00 C ATOM 1240 O GLN B 35 -13.339 2.153 8.601 1.00 0.00 O ATOM 1241 CB GLN B 35 -12.407 0.839 5.826 1.00 0.00 C ATOM 1242 CG GLN B 35 -13.459 -0.112 5.250 1.00 0.00 C ATOM 1243 CD GLN B 35 -12.761 -1.282 4.553 1.00 0.00 C ATOM 1244 OE1 GLN B 35 -12.706 -2.374 5.082 1.00 0.00 O ATOM 1245 NE2 GLN B 35 -12.226 -1.100 3.376 1.00 0.00 N ATOM 0 H GLN B 35 -11.552 3.042 5.007 1.00 0.00 H new ATOM 0 HA GLN B 35 -14.158 2.087 6.180 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -11.623 1.019 5.091 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -11.930 0.387 6.696 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -14.105 -0.482 6.046 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -14.096 0.419 4.543 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -12.272 -0.183 2.931 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -11.762 -1.875 2.901 1.00 0.00 H new ATOM 1254 N LEU B 36 -11.653 3.317 7.807 1.00 0.00 N ATOM 1255 CA LEU B 36 -11.234 3.735 9.176 1.00 0.00 C ATOM 1256 C LEU B 36 -12.109 4.893 9.666 1.00 0.00 C ATOM 1257 O LEU B 36 -12.158 5.184 10.846 1.00 0.00 O ATOM 1258 CB LEU B 36 -9.781 4.186 9.021 1.00 0.00 C ATOM 1259 CG LEU B 36 -8.856 2.973 9.132 1.00 0.00 C ATOM 1260 CD1 LEU B 36 -7.788 3.040 8.038 1.00 0.00 C ATOM 1261 CD2 LEU B 36 -8.182 2.970 10.506 1.00 0.00 C ATOM 0 H LEU B 36 -11.074 3.676 7.047 1.00 0.00 H new ATOM 0 HA LEU B 36 -11.336 2.931 9.905 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -9.642 4.676 8.057 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -9.532 4.918 9.789 1.00 0.00 H new ATOM 0 HG LEU B 36 -9.439 2.060 9.011 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -7.130 2.175 8.119 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -8.269 3.040 7.060 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -7.204 3.953 8.155 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -7.523 2.106 10.586 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -7.600 3.883 10.628 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -8.943 2.919 11.285 1.00 0.00 H new ATOM 1273 N CYS B 37 -12.800 5.554 8.777 1.00 0.00 N ATOM 1274 CA CYS B 37 -13.670 6.687 9.201 1.00 0.00 C ATOM 1275 C CYS B 37 -14.598 6.244 10.334 1.00 0.00 C ATOM 1276 O CYS B 37 -14.915 7.005 11.228 1.00 0.00 O ATOM 1277 CB CYS B 37 -14.481 7.054 7.958 1.00 0.00 C ATOM 1278 SG CYS B 37 -15.382 8.595 8.260 1.00 0.00 S ATOM 0 H CYS B 37 -12.799 5.358 7.776 1.00 0.00 H new ATOM 0 HA CYS B 37 -13.092 7.533 9.574 1.00 0.00 H new ATOM 0 HB2 CYS B 37 -13.819 7.169 7.100 1.00 0.00 H new ATOM 0 HB3 CYS B 37 -15.180 6.253 7.717 1.00 0.00 H new ATOM 1283 N THR B 38 -15.029 5.013 10.308 1.00 0.00 N ATOM 1284 CA THR B 38 -15.928 4.514 11.386 1.00 0.00 C ATOM 1285 C THR B 38 -15.259 4.704 12.751 1.00 0.00 C ATOM 1286 O THR B 38 -15.913 4.751 13.775 1.00 0.00 O ATOM 1287 CB THR B 38 -16.129 3.030 11.076 1.00 0.00 C ATOM 1288 OG1 THR B 38 -16.790 2.896 9.825 1.00 0.00 O ATOM 1289 CG2 THR B 38 -16.976 2.382 12.172 1.00 0.00 C ATOM 0 H THR B 38 -14.797 4.331 9.586 1.00 0.00 H new ATOM 0 HA THR B 38 -16.877 5.048 11.423 1.00 0.00 H new ATOM 0 HB THR B 38 -15.159 2.535 11.033 1.00 0.00 H new ATOM 0 HG1 THR B 38 -16.919 1.946 9.623 1.00 0.00 H new ATOM 0 HG21 THR B 38 -17.116 1.325 11.946 1.00 0.00 H new ATOM 0 HG22 THR B 38 -16.469 2.484 13.132 1.00 0.00 H new ATOM 0 HG23 THR B 38 -17.947 2.875 12.220 1.00 0.00 H new ATOM 1297 N ALA B 39 -13.958 4.822 12.772 1.00 0.00 N ATOM 1298 CA ALA B 39 -13.240 5.019 14.066 1.00 0.00 C ATOM 1299 C ALA B 39 -13.613 3.919 15.062 1.00 0.00 C ATOM 1300 O ALA B 39 -13.465 4.079 16.259 1.00 0.00 O ATOM 1301 CB ALA B 39 -13.707 6.383 14.573 1.00 0.00 C ATOM 0 H ALA B 39 -13.360 4.790 11.947 1.00 0.00 H new ATOM 0 HA ALA B 39 -12.158 4.975 13.944 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -13.223 6.603 15.524 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -13.444 7.151 13.846 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -14.788 6.369 14.711 1.00 0.00 H new ATOM 1307 N ARG B 40 -14.092 2.803 14.586 1.00 0.00 N ATOM 1308 CA ARG B 40 -14.465 1.701 15.517 1.00 0.00 C ATOM 1309 C ARG B 40 -13.912 0.362 15.009 1.00 0.00 C ATOM 1310 O ARG B 40 -14.641 -0.606 14.908 1.00 0.00 O ATOM 1311 CB ARG B 40 -15.994 1.686 15.516 1.00 0.00 C ATOM 1312 CG ARG B 40 -16.503 1.644 16.958 1.00 0.00 C ATOM 1313 CD ARG B 40 -17.858 0.931 17.002 1.00 0.00 C ATOM 1314 NE ARG B 40 -18.008 0.479 18.414 1.00 0.00 N ATOM 1315 CZ ARG B 40 -19.161 0.592 19.015 1.00 0.00 C ATOM 1316 NH1 ARG B 40 -19.823 1.717 18.957 1.00 0.00 N ATOM 1317 NH2 ARG B 40 -19.654 -0.419 19.674 1.00 0.00 N ATOM 0 H ARG B 40 -14.241 2.607 13.596 1.00 0.00 H new ATOM 0 HA ARG B 40 -14.058 1.850 16.517 1.00 0.00 H new ATOM 0 HB2 ARG B 40 -16.377 2.572 15.009 1.00 0.00 H new ATOM 0 HB3 ARG B 40 -16.360 0.820 14.964 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -15.786 1.124 17.593 1.00 0.00 H new ATOM 0 HG3 ARG B 40 -16.600 2.656 17.350 1.00 0.00 H new ATOM 0 HD2 ARG B 40 -18.667 1.602 16.714 1.00 0.00 H new ATOM 0 HD3 ARG B 40 -17.883 0.087 16.312 1.00 0.00 H new ATOM 0 HE ARG B 40 -17.210 0.082 18.910 1.00 0.00 H new ATOM 0 HH11 ARG B 40 -19.439 2.509 18.441 1.00 0.00 H new ATOM 0 HH12 ARG B 40 -20.724 1.803 19.427 1.00 0.00 H new ATOM 0 HH21 ARG B 40 -19.139 -1.298 19.720 1.00 0.00 H new ATOM 0 HH22 ARG B 40 -20.555 -0.331 20.144 1.00 0.00 H new ATOM 1331 N PRO B 41 -12.635 0.345 14.707 1.00 0.00 N ATOM 1332 CA PRO B 41 -11.993 -0.897 14.212 1.00 0.00 C ATOM 1333 C PRO B 41 -11.799 -1.893 15.359 1.00 0.00 C ATOM 1334 O PRO B 41 -11.092 -1.626 16.310 1.00 0.00 O ATOM 1335 CB PRO B 41 -10.645 -0.418 13.682 1.00 0.00 C ATOM 1336 CG PRO B 41 -10.356 0.840 14.435 1.00 0.00 C ATOM 1337 CD PRO B 41 -11.681 1.460 14.796 1.00 0.00 C ATOM 0 HA PRO B 41 -12.586 -1.412 13.456 1.00 0.00 H new ATOM 0 HB2 PRO B 41 -9.868 -1.164 13.848 1.00 0.00 H new ATOM 0 HB3 PRO B 41 -10.686 -0.234 12.608 1.00 0.00 H new ATOM 0 HG2 PRO B 41 -9.775 0.626 15.332 1.00 0.00 H new ATOM 0 HG3 PRO B 41 -9.764 1.524 13.827 1.00 0.00 H new ATOM 0 HD2 PRO B 41 -11.661 1.888 15.798 1.00 0.00 H new ATOM 0 HD3 PRO B 41 -11.944 2.265 14.110 1.00 0.00 H new ATOM 1345 N GLU B 42 -12.416 -3.039 15.278 1.00 0.00 N ATOM 1346 CA GLU B 42 -12.257 -4.046 16.366 1.00 0.00 C ATOM 1347 C GLU B 42 -10.790 -4.472 16.477 1.00 0.00 C ATOM 1348 O GLU B 42 -10.352 -4.966 17.498 1.00 0.00 O ATOM 1349 CB GLU B 42 -13.133 -5.228 15.947 1.00 0.00 C ATOM 1350 CG GLU B 42 -12.658 -5.759 14.593 1.00 0.00 C ATOM 1351 CD GLU B 42 -13.761 -5.568 13.553 1.00 0.00 C ATOM 1352 OE1 GLU B 42 -13.895 -4.460 13.056 1.00 0.00 O ATOM 1353 OE2 GLU B 42 -14.457 -6.529 13.269 1.00 0.00 O ATOM 0 H GLU B 42 -13.022 -3.322 14.508 1.00 0.00 H new ATOM 0 HA GLU B 42 -12.548 -3.653 17.340 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -13.082 -6.017 16.698 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -14.176 -4.917 15.882 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -11.755 -5.234 14.281 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -12.400 -6.815 14.675 1.00 0.00 H new ATOM 1360 N ARG B 43 -10.028 -4.284 15.433 1.00 0.00 N ATOM 1361 CA ARG B 43 -8.590 -4.673 15.475 1.00 0.00 C ATOM 1362 C ARG B 43 -7.839 -4.035 14.299 1.00 0.00 C ATOM 1363 O ARG B 43 -7.568 -4.690 13.310 1.00 0.00 O ATOM 1364 CB ARG B 43 -8.585 -6.198 15.352 1.00 0.00 C ATOM 1365 CG ARG B 43 -9.293 -6.614 14.060 1.00 0.00 C ATOM 1366 CD ARG B 43 -10.032 -7.934 14.290 1.00 0.00 C ATOM 1367 NE ARG B 43 -9.026 -8.993 14.002 1.00 0.00 N ATOM 1368 CZ ARG B 43 -9.408 -10.144 13.517 1.00 0.00 C ATOM 1369 NH1 ARG B 43 -10.113 -10.188 12.419 1.00 0.00 N ATOM 1370 NH2 ARG B 43 -9.086 -11.250 14.132 1.00 0.00 N ATOM 0 H ARG B 43 -10.341 -3.877 14.552 1.00 0.00 H new ATOM 0 HA ARG B 43 -8.097 -4.339 16.388 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -7.560 -6.569 15.352 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -9.085 -6.643 16.212 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -9.995 -5.840 13.751 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -8.568 -6.726 13.254 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -10.400 -8.007 15.313 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -10.897 -8.022 13.633 1.00 0.00 H new ATOM 0 HE ARG B 43 -8.037 -8.820 14.184 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -10.365 -9.324 11.940 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -10.411 -11.087 12.040 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -8.537 -11.215 14.991 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -9.384 -12.149 13.754 1.00 0.00 H new ATOM 1384 N PRO B 44 -7.527 -2.769 14.440 1.00 0.00 N ATOM 1385 CA PRO B 44 -6.805 -2.043 13.368 1.00 0.00 C ATOM 1386 C PRO B 44 -5.341 -2.489 13.309 1.00 0.00 C ATOM 1387 O PRO B 44 -4.732 -2.516 12.257 1.00 0.00 O ATOM 1388 CB PRO B 44 -6.912 -0.581 13.785 1.00 0.00 C ATOM 1389 CG PRO B 44 -7.107 -0.613 15.267 1.00 0.00 C ATOM 1390 CD PRO B 44 -7.815 -1.903 15.593 1.00 0.00 C ATOM 0 HA PRO B 44 -7.218 -2.228 12.376 1.00 0.00 H new ATOM 0 HB2 PRO B 44 -6.012 -0.028 13.518 1.00 0.00 H new ATOM 0 HB3 PRO B 44 -7.748 -0.089 13.288 1.00 0.00 H new ATOM 0 HG2 PRO B 44 -6.148 -0.559 15.783 1.00 0.00 H new ATOM 0 HG3 PRO B 44 -7.695 0.243 15.597 1.00 0.00 H new ATOM 0 HD2 PRO B 44 -7.444 -2.338 16.521 1.00 0.00 H new ATOM 0 HD3 PRO B 44 -8.887 -1.749 15.719 1.00 0.00 H new ATOM 1398 N MET B 45 -4.769 -2.841 14.430 1.00 0.00 N ATOM 1399 CA MET B 45 -3.345 -3.286 14.436 1.00 0.00 C ATOM 1400 C MET B 45 -3.124 -4.377 13.383 1.00 0.00 C ATOM 1401 O MET B 45 -2.246 -4.280 12.549 1.00 0.00 O ATOM 1402 CB MET B 45 -3.108 -3.842 15.840 1.00 0.00 C ATOM 1403 CG MET B 45 -2.672 -2.710 16.772 1.00 0.00 C ATOM 1404 SD MET B 45 -2.972 -3.191 18.490 1.00 0.00 S ATOM 1405 CE MET B 45 -2.148 -1.781 19.269 1.00 0.00 C ATOM 0 H MET B 45 -5.227 -2.840 15.342 1.00 0.00 H new ATOM 0 HA MET B 45 -2.660 -2.473 14.198 1.00 0.00 H new ATOM 0 HB2 MET B 45 -4.019 -4.307 16.217 1.00 0.00 H new ATOM 0 HB3 MET B 45 -2.343 -4.618 15.811 1.00 0.00 H new ATOM 0 HG2 MET B 45 -1.615 -2.490 16.624 1.00 0.00 H new ATOM 0 HG3 MET B 45 -3.223 -1.799 16.537 1.00 0.00 H new ATOM 0 HE1 MET B 45 -2.214 -1.875 20.353 1.00 0.00 H new ATOM 0 HE2 MET B 45 -1.100 -1.761 18.969 1.00 0.00 H new ATOM 0 HE3 MET B 45 -2.633 -0.857 18.955 1.00 0.00 H new ATOM 1415 N ALA B 46 -3.919 -5.409 13.414 1.00 0.00 N ATOM 1416 CA ALA B 46 -3.762 -6.504 12.413 1.00 0.00 C ATOM 1417 C ALA B 46 -4.557 -6.183 11.142 1.00 0.00 C ATOM 1418 O ALA B 46 -4.391 -6.819 10.118 1.00 0.00 O ATOM 1419 CB ALA B 46 -4.325 -7.749 13.099 1.00 0.00 C ATOM 0 H ALA B 46 -4.672 -5.543 14.089 1.00 0.00 H new ATOM 0 HA ALA B 46 -2.724 -6.639 12.109 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -4.246 -8.603 12.426 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -3.759 -7.951 14.008 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -5.372 -7.583 13.353 1.00 0.00 H new ATOM 1425 N PHE B 47 -5.423 -5.205 11.196 1.00 0.00 N ATOM 1426 CA PHE B 47 -6.225 -4.852 9.991 1.00 0.00 C ATOM 1427 C PHE B 47 -5.302 -4.485 8.825 1.00 0.00 C ATOM 1428 O PHE B 47 -5.502 -4.915 7.705 1.00 0.00 O ATOM 1429 CB PHE B 47 -7.057 -3.640 10.414 1.00 0.00 C ATOM 1430 CG PHE B 47 -7.875 -3.153 9.242 1.00 0.00 C ATOM 1431 CD1 PHE B 47 -8.610 -4.075 8.462 1.00 0.00 C ATOM 1432 CD2 PHE B 47 -7.905 -1.778 8.925 1.00 0.00 C ATOM 1433 CE1 PHE B 47 -9.375 -3.619 7.364 1.00 0.00 C ATOM 1434 CE2 PHE B 47 -8.670 -1.321 7.829 1.00 0.00 C ATOM 1435 CZ PHE B 47 -9.404 -2.241 7.048 1.00 0.00 C ATOM 0 H PHE B 47 -5.608 -4.637 12.023 1.00 0.00 H new ATOM 0 HA PHE B 47 -6.847 -5.681 9.653 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -7.713 -3.908 11.242 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -6.403 -2.844 10.770 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -8.587 -5.127 8.705 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -7.343 -1.075 9.521 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -9.937 -4.322 6.767 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -8.694 -0.268 7.588 1.00 0.00 H new ATOM 0 HZ PHE B 47 -9.988 -1.892 6.209 1.00 0.00 H new ATOM 1445 N LEU B 48 -4.293 -3.697 9.078 1.00 0.00 N ATOM 1446 CA LEU B 48 -3.358 -3.303 7.983 1.00 0.00 C ATOM 1447 C LEU B 48 -2.852 -4.548 7.247 1.00 0.00 C ATOM 1448 O LEU B 48 -2.734 -4.562 6.037 1.00 0.00 O ATOM 1449 CB LEU B 48 -2.203 -2.587 8.683 1.00 0.00 C ATOM 1450 CG LEU B 48 -1.462 -1.708 7.675 1.00 0.00 C ATOM 1451 CD1 LEU B 48 -2.272 -0.439 7.410 1.00 0.00 C ATOM 1452 CD2 LEU B 48 -0.093 -1.331 8.241 1.00 0.00 C ATOM 0 H LEU B 48 -4.075 -3.308 9.995 1.00 0.00 H new ATOM 0 HA LEU B 48 -3.838 -2.667 7.239 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -2.583 -1.978 9.503 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -1.519 -3.316 9.118 1.00 0.00 H new ATOM 0 HG LEU B 48 -1.332 -2.255 6.741 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -1.743 0.187 6.691 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -3.248 -0.708 7.007 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -2.403 0.110 8.342 1.00 0.00 H new ATOM 0 HD21 LEU B 48 0.437 -0.704 7.524 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -0.223 -0.784 9.175 1.00 0.00 H new ATOM 0 HD23 LEU B 48 0.485 -2.236 8.429 1.00 0.00 H new ATOM 1464 N ARG B 49 -2.554 -5.592 7.969 1.00 0.00 N ATOM 1465 CA ARG B 49 -2.059 -6.835 7.310 1.00 0.00 C ATOM 1466 C ARG B 49 -3.094 -7.336 6.299 1.00 0.00 C ATOM 1467 O ARG B 49 -2.829 -7.431 5.118 1.00 0.00 O ATOM 1468 CB ARG B 49 -1.883 -7.841 8.446 1.00 0.00 C ATOM 1469 CG ARG B 49 -1.328 -9.153 7.888 1.00 0.00 C ATOM 1470 CD ARG B 49 -2.396 -10.242 7.986 1.00 0.00 C ATOM 1471 NE ARG B 49 -1.892 -11.179 9.026 1.00 0.00 N ATOM 1472 CZ ARG B 49 -1.823 -12.458 8.773 1.00 0.00 C ATOM 1473 NH1 ARG B 49 -0.820 -12.935 8.089 1.00 0.00 N ATOM 1474 NH2 ARG B 49 -2.756 -13.260 9.205 1.00 0.00 N ATOM 0 H ARG B 49 -2.631 -5.639 8.985 1.00 0.00 H new ATOM 0 HA ARG B 49 -1.130 -6.676 6.763 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -1.206 -7.439 9.200 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -2.839 -8.019 8.939 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -1.024 -9.019 6.850 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -0.439 -9.450 8.444 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -3.363 -9.823 8.266 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -2.533 -10.748 7.031 1.00 0.00 H new ATOM 0 HE ARG B 49 -1.601 -10.822 9.936 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -0.089 -12.309 7.752 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -0.767 -13.934 7.892 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -3.540 -12.888 9.741 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -2.702 -14.259 9.007 1.00 0.00 H new ATOM 1488 N GLU B 50 -4.275 -7.654 6.757 1.00 0.00 N ATOM 1489 CA GLU B 50 -5.330 -8.148 5.823 1.00 0.00 C ATOM 1490 C GLU B 50 -5.880 -6.994 4.972 1.00 0.00 C ATOM 1491 O GLU B 50 -6.589 -7.209 4.008 1.00 0.00 O ATOM 1492 CB GLU B 50 -6.425 -8.710 6.731 1.00 0.00 C ATOM 1493 CG GLU B 50 -7.178 -9.820 5.998 1.00 0.00 C ATOM 1494 CD GLU B 50 -7.501 -10.951 6.977 1.00 0.00 C ATOM 1495 OE1 GLU B 50 -7.530 -10.686 8.169 1.00 0.00 O ATOM 1496 OE2 GLU B 50 -7.715 -12.061 6.520 1.00 0.00 O ATOM 0 H GLU B 50 -4.555 -7.594 7.736 1.00 0.00 H new ATOM 0 HA GLU B 50 -4.946 -8.895 5.128 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -5.986 -9.100 7.649 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -7.115 -7.917 7.019 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -8.097 -9.426 5.565 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -6.575 -10.200 5.173 1.00 0.00 H new ATOM 1503 N TYR B 51 -5.564 -5.775 5.316 1.00 0.00 N ATOM 1504 CA TYR B 51 -6.075 -4.616 4.526 1.00 0.00 C ATOM 1505 C TYR B 51 -5.491 -4.635 3.105 1.00 0.00 C ATOM 1506 O TYR B 51 -6.177 -4.934 2.148 1.00 0.00 O ATOM 1507 CB TYR B 51 -5.603 -3.378 5.301 1.00 0.00 C ATOM 1508 CG TYR B 51 -5.822 -2.130 4.475 1.00 0.00 C ATOM 1509 CD1 TYR B 51 -7.072 -1.475 4.495 1.00 0.00 C ATOM 1510 CD2 TYR B 51 -4.770 -1.622 3.682 1.00 0.00 C ATOM 1511 CE1 TYR B 51 -7.271 -0.309 3.720 1.00 0.00 C ATOM 1512 CE2 TYR B 51 -4.969 -0.459 2.906 1.00 0.00 C ATOM 1513 CZ TYR B 51 -6.218 0.198 2.924 1.00 0.00 C ATOM 1514 OH TYR B 51 -6.409 1.331 2.163 1.00 0.00 O ATOM 0 H TYR B 51 -4.973 -5.530 6.111 1.00 0.00 H new ATOM 0 HA TYR B 51 -7.159 -4.635 4.411 1.00 0.00 H new ATOM 0 HB2 TYR B 51 -6.147 -3.300 6.242 1.00 0.00 H new ATOM 0 HB3 TYR B 51 -4.547 -3.477 5.551 1.00 0.00 H new ATOM 0 HD1 TYR B 51 -7.876 -1.864 5.102 1.00 0.00 H new ATOM 0 HD2 TYR B 51 -3.813 -2.123 3.669 1.00 0.00 H new ATOM 0 HE1 TYR B 51 -8.227 0.194 3.736 1.00 0.00 H new ATOM 0 HE2 TYR B 51 -4.165 -0.072 2.298 1.00 0.00 H new ATOM 0 HH TYR B 51 -5.544 1.759 1.990 1.00 0.00 H new ATOM 1524 N PHE B 52 -4.236 -4.309 2.961 1.00 0.00 N ATOM 1525 CA PHE B 52 -3.619 -4.298 1.601 1.00 0.00 C ATOM 1526 C PHE B 52 -3.426 -5.726 1.085 1.00 0.00 C ATOM 1527 O PHE B 52 -3.266 -5.950 -0.098 1.00 0.00 O ATOM 1528 CB PHE B 52 -2.267 -3.608 1.786 1.00 0.00 C ATOM 1529 CG PHE B 52 -1.995 -2.704 0.608 1.00 0.00 C ATOM 1530 CD1 PHE B 52 -1.541 -3.247 -0.614 1.00 0.00 C ATOM 1531 CD2 PHE B 52 -2.192 -1.310 0.730 1.00 0.00 C ATOM 1532 CE1 PHE B 52 -1.285 -2.399 -1.715 1.00 0.00 C ATOM 1533 CE2 PHE B 52 -1.936 -0.461 -0.370 1.00 0.00 C ATOM 1534 CZ PHE B 52 -1.482 -1.005 -1.592 1.00 0.00 C ATOM 0 H PHE B 52 -3.610 -4.050 3.724 1.00 0.00 H new ATOM 0 HA PHE B 52 -4.246 -3.785 0.872 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.266 -3.029 2.710 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.476 -4.353 1.876 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -1.389 -4.312 -0.707 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -2.538 -0.893 1.664 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -0.939 -2.816 -2.649 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -2.087 0.604 -0.276 1.00 0.00 H new ATOM 0 HZ PHE B 52 -1.285 -0.356 -2.432 1.00 0.00 H new ATOM 1544 N GLU B 53 -3.433 -6.694 1.960 1.00 0.00 N ATOM 1545 CA GLU B 53 -3.245 -8.103 1.508 1.00 0.00 C ATOM 1546 C GLU B 53 -4.470 -8.575 0.720 1.00 0.00 C ATOM 1547 O GLU B 53 -4.353 -9.099 -0.371 1.00 0.00 O ATOM 1548 CB GLU B 53 -3.088 -8.914 2.795 1.00 0.00 C ATOM 1549 CG GLU B 53 -2.887 -10.389 2.446 1.00 0.00 C ATOM 1550 CD GLU B 53 -3.967 -11.228 3.132 1.00 0.00 C ATOM 1551 OE1 GLU B 53 -3.900 -11.369 4.342 1.00 0.00 O ATOM 1552 OE2 GLU B 53 -4.840 -11.717 2.436 1.00 0.00 O ATOM 0 H GLU B 53 -3.560 -6.572 2.965 1.00 0.00 H new ATOM 0 HA GLU B 53 -2.384 -8.214 0.849 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -2.237 -8.546 3.368 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -3.971 -8.795 3.423 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -2.935 -10.528 1.366 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -1.898 -10.718 2.766 1.00 0.00 H new ATOM 1559 N LYS B 54 -5.643 -8.396 1.260 1.00 0.00 N ATOM 1560 CA LYS B 54 -6.872 -8.837 0.539 1.00 0.00 C ATOM 1561 C LYS B 54 -7.322 -7.759 -0.453 1.00 0.00 C ATOM 1562 O LYS B 54 -7.855 -8.053 -1.503 1.00 0.00 O ATOM 1563 CB LYS B 54 -7.923 -9.034 1.631 1.00 0.00 C ATOM 1564 CG LYS B 54 -8.682 -10.338 1.379 1.00 0.00 C ATOM 1565 CD LYS B 54 -9.118 -10.941 2.717 1.00 0.00 C ATOM 1566 CE LYS B 54 -10.614 -10.693 2.923 1.00 0.00 C ATOM 1567 NZ LYS B 54 -11.212 -12.049 3.060 1.00 0.00 N ATOM 0 H LYS B 54 -5.805 -7.963 2.169 1.00 0.00 H new ATOM 0 HA LYS B 54 -6.707 -9.748 -0.037 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -7.445 -9.063 2.610 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -8.616 -8.193 1.639 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -9.553 -10.149 0.752 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -8.048 -11.042 0.840 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -8.910 -12.011 2.731 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -8.549 -10.495 3.532 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -10.796 -10.090 3.812 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -11.045 -10.155 2.079 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -12.238 -11.963 3.204 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -11.029 -12.598 2.196 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -10.787 -12.535 3.875 1.00 0.00 H new ATOM 1581 N LEU B 55 -7.110 -6.513 -0.126 1.00 0.00 N ATOM 1582 CA LEU B 55 -7.525 -5.420 -1.046 1.00 0.00 C ATOM 1583 C LEU B 55 -6.799 -5.557 -2.389 1.00 0.00 C ATOM 1584 O LEU B 55 -7.242 -5.049 -3.400 1.00 0.00 O ATOM 1585 CB LEU B 55 -7.106 -4.134 -0.332 1.00 0.00 C ATOM 1586 CG LEU B 55 -7.486 -2.931 -1.191 1.00 0.00 C ATOM 1587 CD1 LEU B 55 -8.852 -2.398 -0.753 1.00 0.00 C ATOM 1588 CD2 LEU B 55 -6.433 -1.831 -1.027 1.00 0.00 C ATOM 0 H LEU B 55 -6.667 -6.206 0.740 1.00 0.00 H new ATOM 0 HA LEU B 55 -8.593 -5.437 -1.263 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -7.594 -4.069 0.640 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -6.031 -4.140 -0.150 1.00 0.00 H new ATOM 0 HG LEU B 55 -7.534 -3.235 -2.237 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -9.122 -1.539 -1.368 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -9.603 -3.179 -0.872 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -8.806 -2.095 0.293 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -6.705 -0.972 -1.641 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -6.383 -1.528 0.019 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -5.460 -2.209 -1.342 1.00 0.00 H new ATOM 1600 N GLU B 56 -5.688 -6.243 -2.407 1.00 0.00 N ATOM 1601 CA GLU B 56 -4.933 -6.414 -3.681 1.00 0.00 C ATOM 1602 C GLU B 56 -5.860 -6.945 -4.781 1.00 0.00 C ATOM 1603 O GLU B 56 -6.261 -6.222 -5.671 1.00 0.00 O ATOM 1604 CB GLU B 56 -3.838 -7.432 -3.360 1.00 0.00 C ATOM 1605 CG GLU B 56 -3.061 -7.773 -4.635 1.00 0.00 C ATOM 1606 CD GLU B 56 -2.045 -8.880 -4.343 1.00 0.00 C ATOM 1607 OE1 GLU B 56 -1.833 -9.175 -3.178 1.00 0.00 O ATOM 1608 OE2 GLU B 56 -1.496 -9.416 -5.292 1.00 0.00 O ATOM 0 H GLU B 56 -5.270 -6.693 -1.593 1.00 0.00 H new ATOM 0 HA GLU B 56 -4.519 -5.474 -4.045 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -3.161 -7.028 -2.607 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -4.280 -8.335 -2.939 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -3.750 -8.096 -5.416 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -2.549 -6.886 -5.008 1.00 0.00 H new ATOM 1615 N LYS B 57 -6.200 -8.203 -4.727 1.00 0.00 N ATOM 1616 CA LYS B 57 -7.097 -8.779 -5.769 1.00 0.00 C ATOM 1617 C LYS B 57 -8.562 -8.642 -5.343 1.00 0.00 C ATOM 1618 O LYS B 57 -9.325 -9.586 -5.396 1.00 0.00 O ATOM 1619 CB LYS B 57 -6.701 -10.253 -5.862 1.00 0.00 C ATOM 1620 CG LYS B 57 -7.308 -10.868 -7.127 1.00 0.00 C ATOM 1621 CD LYS B 57 -7.659 -12.334 -6.864 1.00 0.00 C ATOM 1622 CE LYS B 57 -8.188 -12.972 -8.150 1.00 0.00 C ATOM 1623 NZ LYS B 57 -9.007 -14.131 -7.694 1.00 0.00 N ATOM 0 H LYS B 57 -5.896 -8.858 -4.006 1.00 0.00 H new ATOM 0 HA LYS B 57 -6.997 -8.269 -6.727 1.00 0.00 H new ATOM 0 HB2 LYS B 57 -5.615 -10.348 -5.884 1.00 0.00 H new ATOM 0 HB3 LYS B 57 -7.050 -10.790 -4.980 1.00 0.00 H new ATOM 0 HG2 LYS B 57 -8.201 -10.316 -7.420 1.00 0.00 H new ATOM 0 HG3 LYS B 57 -6.602 -10.795 -7.954 1.00 0.00 H new ATOM 0 HD2 LYS B 57 -6.778 -12.873 -6.514 1.00 0.00 H new ATOM 0 HD3 LYS B 57 -8.409 -12.404 -6.076 1.00 0.00 H new ATOM 0 HE2 LYS B 57 -8.788 -12.266 -8.724 1.00 0.00 H new ATOM 0 HE3 LYS B 57 -7.371 -13.295 -8.796 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 -9.405 -14.621 -8.520 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 -8.408 -14.789 -7.156 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 -9.780 -13.792 -7.087 1.00 0.00 H new ATOM 1637 N GLU B 58 -8.959 -7.473 -4.921 1.00 0.00 N ATOM 1638 CA GLU B 58 -10.374 -7.276 -4.493 1.00 0.00 C ATOM 1639 C GLU B 58 -11.268 -7.056 -5.717 1.00 0.00 C ATOM 1640 O GLU B 58 -12.284 -7.701 -5.881 1.00 0.00 O ATOM 1641 CB GLU B 58 -10.351 -6.027 -3.614 1.00 0.00 C ATOM 1642 CG GLU B 58 -11.548 -6.050 -2.660 1.00 0.00 C ATOM 1643 CD GLU B 58 -12.770 -5.432 -3.344 1.00 0.00 C ATOM 1644 OE1 GLU B 58 -12.605 -4.855 -4.409 1.00 0.00 O ATOM 1645 OE2 GLU B 58 -13.853 -5.544 -2.793 1.00 0.00 O ATOM 0 H GLU B 58 -8.366 -6.646 -4.854 1.00 0.00 H new ATOM 0 HA GLU B 58 -10.770 -8.141 -3.961 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -9.421 -5.986 -3.047 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -10.385 -5.132 -4.235 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -11.767 -7.075 -2.362 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -11.311 -5.497 -1.751 1.00 0.00 H new ATOM 1652 N GLU B 59 -10.898 -6.146 -6.576 1.00 0.00 N ATOM 1653 CA GLU B 59 -11.724 -5.882 -7.788 1.00 0.00 C ATOM 1654 C GLU B 59 -10.870 -6.033 -9.049 1.00 0.00 C ATOM 1655 O GLU B 59 -11.212 -6.761 -9.961 1.00 0.00 O ATOM 1656 CB GLU B 59 -12.203 -4.439 -7.634 1.00 0.00 C ATOM 1657 CG GLU B 59 -13.503 -4.245 -8.417 1.00 0.00 C ATOM 1658 CD GLU B 59 -13.957 -2.788 -8.301 1.00 0.00 C ATOM 1659 OE1 GLU B 59 -14.190 -2.348 -7.187 1.00 0.00 O ATOM 1660 OE2 GLU B 59 -14.063 -2.139 -9.329 1.00 0.00 O ATOM 0 H GLU B 59 -10.058 -5.573 -6.491 1.00 0.00 H new ATOM 0 HA GLU B 59 -12.557 -6.579 -7.882 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -12.363 -4.208 -6.581 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -11.440 -3.751 -7.999 1.00 0.00 H new ATOM 0 HG2 GLU B 59 -13.352 -4.508 -9.464 1.00 0.00 H new ATOM 0 HG3 GLU B 59 -14.276 -4.910 -8.030 1.00 0.00 H new ATOM 1667 N ALA B 60 -9.759 -5.350 -9.108 1.00 0.00 N ATOM 1668 CA ALA B 60 -8.881 -5.455 -10.309 1.00 0.00 C ATOM 1669 C ALA B 60 -7.589 -6.194 -9.953 1.00 0.00 C ATOM 1670 O ALA B 60 -7.381 -6.592 -8.826 1.00 0.00 O ATOM 1671 CB ALA B 60 -8.581 -4.010 -10.708 1.00 0.00 C ATOM 0 H ALA B 60 -9.421 -4.724 -8.377 1.00 0.00 H new ATOM 0 HA ALA B 60 -9.352 -6.011 -11.120 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -7.937 -4.002 -11.588 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -9.514 -3.494 -10.936 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -8.078 -3.502 -9.885 1.00 0.00 H new ATOM 1677 N LYS B 61 -6.720 -6.382 -10.910 1.00 0.00 N ATOM 1678 CA LYS B 61 -5.440 -7.095 -10.624 1.00 0.00 C ATOM 1679 C LYS B 61 -4.430 -6.134 -9.991 1.00 0.00 C ATOM 1680 O LYS B 61 -4.369 -4.997 -10.429 1.00 0.00 O ATOM 1681 CB LYS B 61 -4.942 -7.577 -11.987 1.00 0.00 C ATOM 1682 CG LYS B 61 -3.751 -8.518 -11.791 1.00 0.00 C ATOM 1683 CD LYS B 61 -3.133 -8.846 -13.151 1.00 0.00 C ATOM 1684 CE LYS B 61 -1.733 -9.432 -12.947 1.00 0.00 C ATOM 1685 NZ LYS B 61 -0.892 -8.784 -13.991 1.00 0.00 N ATOM 1686 OXT LYS B 61 -3.734 -6.553 -9.081 1.00 0.00 O ATOM 0 H LYS B 61 -6.840 -6.074 -11.875 1.00 0.00 H new ATOM 0 HA LYS B 61 -5.574 -7.920 -9.925 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -5.743 -8.092 -12.517 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -4.649 -6.725 -12.601 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -3.008 -8.052 -11.144 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -4.075 -9.434 -11.296 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -3.762 -9.557 -13.686 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -3.077 -7.946 -13.763 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -1.357 -9.217 -11.947 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -1.738 -10.516 -13.060 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 0.084 -9.134 -13.917 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -1.271 -9.011 -14.932 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -0.901 -7.753 -13.854 1.00 0.00 H new TER 1700 LYS B 61