USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 732 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 Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.11) USER MOD Single : A 8 SER OG : rot -9:sc= 0.802 USER MOD Single : A 12 LYS NZ :NH3+ -160:sc= -0.0104 (180deg=-0.131) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 150:sc= 0 (180deg=-1.16) USER MOD Single : A 25 LYS NZ :NH3+ -116:sc= -0.944 (180deg=-2.47!) USER MOD Single : A 26 TYR OH : rot -76:sc= 1.55 USER MOD Single : A 28 THR OG1 : rot 99:sc= 0.0283 USER MOD Single : A 30 SER OG : rot 180:sc= -0.104 USER MOD Single : A 31 SER OG : rot -43:sc= 0.121 USER MOD Single : A 32 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.018) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -3.99! C(o=-4!,f=-4!) USER MOD Single : A 40 SER OG : rot 18:sc= 1.17 USER MOD Single : A 42 ASN : amide:sc= -0.0357 X(o=-0.036,f=-0.036) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -1.89 F(o=-7.3!,f=-1.9) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -169:sc= 0.175 USER MOD Single : A 49 HIS : no HD1:sc= -0.27 K(o=-0.27,f=-0.97) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 163:sc= -10.8! (180deg=-12.3!) USER MOD Single : A 58 THR OG1 : rot -65:sc= -2.72! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.122 USER MOD Single : A 97 SER OG : rot -28:sc= -0.982 USER MOD Single : A 98 THR OG1 : rot -57:sc= 1.15 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -4.39! C(o=-4.4!,f=-5.4!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.0708 X(o=-0.071,f=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 GLN :FLIP amide:sc= -4.16! C(o=-5.5!,f=-4.2!) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 -12.772 -11.841 12.319 1.00 0.00 N ATOM 38 CA ILE A 3 -12.448 -10.522 12.844 1.00 0.00 C ATOM 39 C ILE A 3 -12.216 -9.527 11.709 1.00 0.00 C ATOM 40 O ILE A 3 -11.553 -9.849 10.722 1.00 0.00 O ATOM 41 CB ILE A 3 -11.195 -10.563 13.740 1.00 0.00 C ATOM 42 CG1 ILE A 3 -11.295 -11.713 14.745 1.00 0.00 C ATOM 43 CG2 ILE A 3 -11.015 -9.235 14.460 1.00 0.00 C ATOM 44 CD1 ILE A 3 -10.465 -12.920 14.367 1.00 0.00 C ATOM 0 HA ILE A 3 -13.300 -10.200 13.443 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.322 -10.733 13.110 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.978 -11.357 15.725 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -12.338 -12.014 14.837 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.126 -9.280 15.089 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.901 -8.436 13.727 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.889 -9.036 15.081 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -10.584 -13.695 15.124 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.797 -13.302 13.401 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.415 -12.634 14.303 1.00 0.00 H new ATOM 56 N PRO A 4 -12.761 -8.300 11.822 1.00 0.00 N ATOM 57 CA PRO A 4 -12.605 -7.268 10.792 1.00 0.00 C ATOM 58 C PRO A 4 -11.173 -6.753 10.694 1.00 0.00 C ATOM 59 O PRO A 4 -10.578 -6.343 11.690 1.00 0.00 O ATOM 60 CB PRO A 4 -13.543 -6.139 11.249 1.00 0.00 C ATOM 61 CG PRO A 4 -14.394 -6.733 12.324 1.00 0.00 C ATOM 62 CD PRO A 4 -13.574 -7.822 12.949 1.00 0.00 C ATOM 0 HA PRO A 4 -12.841 -7.658 9.802 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -12.977 -5.287 11.624 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -14.153 -5.777 10.421 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -14.671 -5.981 13.063 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -15.321 -7.131 11.912 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -12.955 -7.446 13.764 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -14.199 -8.614 13.362 1.00 0.00 H new ATOM 70 N ILE A 5 -10.632 -6.768 9.481 1.00 0.00 N ATOM 71 CA ILE A 5 -9.273 -6.291 9.240 1.00 0.00 C ATOM 72 C ILE A 5 -9.277 -4.823 8.812 1.00 0.00 C ATOM 73 O ILE A 5 -8.265 -4.133 8.931 1.00 0.00 O ATOM 74 CB ILE A 5 -8.551 -7.146 8.171 1.00 0.00 C ATOM 75 CG1 ILE A 5 -8.155 -8.499 8.758 1.00 0.00 C ATOM 76 CG2 ILE A 5 -7.317 -6.429 7.638 1.00 0.00 C ATOM 77 CD1 ILE A 5 -9.330 -9.314 9.246 1.00 0.00 C ATOM 0 H ILE A 5 -11.113 -7.106 8.648 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.729 -6.385 10.180 1.00 0.00 H new ATOM 0 HB ILE A 5 -9.240 -7.303 7.341 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.616 -9.070 8.002 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.466 -8.338 9.587 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.829 -7.052 6.889 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.613 -5.483 7.186 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.624 -6.238 8.458 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.973 -10.262 9.649 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -9.856 -8.763 10.025 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -10.009 -9.506 8.416 1.00 0.00 H new ATOM 89 N LYS A 6 -10.424 -4.349 8.333 1.00 0.00 N ATOM 90 CA LYS A 6 -10.574 -2.962 7.908 1.00 0.00 C ATOM 91 C LYS A 6 -12.014 -2.709 7.524 1.00 0.00 C ATOM 92 O LYS A 6 -12.484 -3.203 6.518 1.00 0.00 O ATOM 93 CB LYS A 6 -9.677 -2.643 6.699 1.00 0.00 C ATOM 94 CG LYS A 6 -8.764 -1.442 6.888 1.00 0.00 C ATOM 95 CD LYS A 6 -7.960 -1.522 8.178 1.00 0.00 C ATOM 96 CE LYS A 6 -7.546 -0.141 8.661 1.00 0.00 C ATOM 97 NZ LYS A 6 -7.247 -0.129 10.118 1.00 0.00 N ATOM 0 H LYS A 6 -11.269 -4.911 8.229 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.278 -2.322 8.739 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.065 -3.517 6.477 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.310 -2.468 5.829 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.081 -1.371 6.041 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.362 -0.531 6.892 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.553 -2.016 8.948 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.072 -2.134 8.018 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.667 0.189 8.107 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.343 0.572 8.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.969 0.830 10.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.093 -0.419 10.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.470 -0.790 10.318 1.00 0.00 H new ATOM 111 N GLN A 7 -12.708 -1.931 8.321 1.00 0.00 N ATOM 112 CA GLN A 7 -14.099 -1.617 8.031 1.00 0.00 C ATOM 113 C GLN A 7 -14.337 -0.117 8.122 1.00 0.00 C ATOM 114 O GLN A 7 -14.325 0.460 9.209 1.00 0.00 O ATOM 115 CB GLN A 7 -15.028 -2.360 8.994 1.00 0.00 C ATOM 116 CG GLN A 7 -14.736 -2.077 10.458 1.00 0.00 C ATOM 117 CD GLN A 7 -15.457 -3.031 11.390 1.00 0.00 C ATOM 118 OE1 GLN A 7 -16.613 -3.385 11.161 1.00 0.00 O ATOM 119 NE2 GLN A 7 -14.775 -3.450 12.450 1.00 0.00 N ATOM 0 H GLN A 7 -12.341 -1.503 9.171 1.00 0.00 H new ATOM 0 HA GLN A 7 -14.319 -1.943 7.014 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -16.060 -2.083 8.777 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -14.942 -3.432 8.815 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -13.662 -2.148 10.631 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -15.030 -1.054 10.692 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -13.818 -3.130 12.600 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -15.208 -4.092 13.114 1.00 0.00 H new ATOM 128 N SER A 8 -14.544 0.512 6.972 1.00 0.00 N ATOM 129 CA SER A 8 -14.777 1.950 6.924 1.00 0.00 C ATOM 130 C SER A 8 -15.408 2.361 5.599 1.00 0.00 C ATOM 131 O SER A 8 -15.743 1.515 4.769 1.00 0.00 O ATOM 132 CB SER A 8 -13.462 2.705 7.133 1.00 0.00 C ATOM 133 OG SER A 8 -12.934 2.462 8.426 1.00 0.00 O ATOM 0 H SER A 8 -14.555 0.051 6.062 1.00 0.00 H new ATOM 0 HA SER A 8 -15.470 2.206 7.726 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.739 2.398 6.378 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.628 3.774 6.999 1.00 0.00 H new ATOM 0 HG SER A 8 -13.598 1.984 8.966 1.00 0.00 H new ATOM 139 N PHE A 9 -15.572 3.667 5.408 1.00 0.00 N ATOM 140 CA PHE A 9 -16.166 4.191 4.185 1.00 0.00 C ATOM 141 C PHE A 9 -15.118 4.350 3.090 1.00 0.00 C ATOM 142 O PHE A 9 -14.017 4.844 3.335 1.00 0.00 O ATOM 143 CB PHE A 9 -16.845 5.538 4.449 1.00 0.00 C ATOM 144 CG PHE A 9 -17.530 5.627 5.785 1.00 0.00 C ATOM 145 CD1 PHE A 9 -18.160 4.519 6.332 1.00 0.00 C ATOM 146 CD2 PHE A 9 -17.543 6.817 6.493 1.00 0.00 C ATOM 147 CE1 PHE A 9 -18.789 4.598 7.561 1.00 0.00 C ATOM 148 CE2 PHE A 9 -18.171 6.902 7.722 1.00 0.00 C ATOM 149 CZ PHE A 9 -18.795 5.790 8.256 1.00 0.00 C ATOM 0 H PHE A 9 -15.302 4.380 6.085 1.00 0.00 H new ATOM 0 HA PHE A 9 -16.915 3.474 3.848 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -16.098 6.329 4.382 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -17.578 5.724 3.664 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -18.159 3.584 5.792 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -17.057 7.689 6.081 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -19.275 3.728 7.976 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -18.174 7.836 8.264 1.00 0.00 H new ATOM 0 HZ PHE A 9 -19.286 5.854 9.216 1.00 0.00 H new ATOM 159 N LEU A 10 -15.474 3.937 1.880 1.00 0.00 N ATOM 160 CA LEU A 10 -14.575 4.037 0.738 1.00 0.00 C ATOM 161 C LEU A 10 -15.269 4.734 -0.422 1.00 0.00 C ATOM 162 O LEU A 10 -16.491 4.686 -0.541 1.00 0.00 O ATOM 163 CB LEU A 10 -14.113 2.648 0.294 1.00 0.00 C ATOM 164 CG LEU A 10 -12.833 2.140 0.959 1.00 0.00 C ATOM 165 CD1 LEU A 10 -13.128 1.635 2.363 1.00 0.00 C ATOM 166 CD2 LEU A 10 -12.194 1.044 0.120 1.00 0.00 C ATOM 0 H LEU A 10 -16.383 3.528 1.664 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.706 4.621 1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -14.914 1.936 0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -13.961 2.662 -0.785 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.130 2.970 1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.206 1.277 2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -13.541 2.447 2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.849 0.819 2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.285 0.695 0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.891 0.213 0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.948 1.438 -0.866 1.00 0.00 H new ATOM 178 N LEU A 11 -14.489 5.369 -1.283 1.00 0.00 N ATOM 179 CA LEU A 11 -15.052 6.056 -2.438 1.00 0.00 C ATOM 180 C LEU A 11 -15.133 5.104 -3.625 1.00 0.00 C ATOM 181 O LEU A 11 -14.194 4.355 -3.893 1.00 0.00 O ATOM 182 CB LEU A 11 -14.213 7.286 -2.792 1.00 0.00 C ATOM 183 CG LEU A 11 -14.927 8.629 -2.618 1.00 0.00 C ATOM 184 CD1 LEU A 11 -15.436 8.779 -1.193 1.00 0.00 C ATOM 185 CD2 LEU A 11 -13.998 9.777 -2.979 1.00 0.00 C ATOM 0 H LEU A 11 -13.473 5.424 -1.207 1.00 0.00 H new ATOM 0 HA LEU A 11 -16.059 6.390 -2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.316 7.286 -2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.885 7.198 -3.828 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.782 8.656 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -15.941 9.739 -1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -16.136 7.974 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.596 8.732 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.522 10.724 -2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.123 9.755 -2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.682 9.676 -4.017 1.00 0.00 H new ATOM 197 N LYS A 12 -16.260 5.127 -4.334 1.00 0.00 N ATOM 198 CA LYS A 12 -16.450 4.254 -5.488 1.00 0.00 C ATOM 199 C LYS A 12 -16.806 5.057 -6.736 1.00 0.00 C ATOM 200 O LYS A 12 -17.822 5.749 -6.772 1.00 0.00 O ATOM 201 CB LYS A 12 -17.545 3.222 -5.197 1.00 0.00 C ATOM 202 CG LYS A 12 -17.882 2.330 -6.383 1.00 0.00 C ATOM 203 CD LYS A 12 -16.819 1.262 -6.601 1.00 0.00 C ATOM 204 CE LYS A 12 -16.056 1.492 -7.895 1.00 0.00 C ATOM 205 NZ LYS A 12 -16.920 1.304 -9.093 1.00 0.00 N ATOM 0 H LYS A 12 -17.051 5.738 -4.130 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.510 3.735 -5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.228 2.596 -4.363 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.448 3.744 -4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -18.848 1.854 -6.218 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.976 2.939 -7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -16.123 1.263 -5.762 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -17.289 0.279 -6.624 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.645 2.502 -7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.212 0.804 -7.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.324 1.133 -9.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -17.548 0.489 -8.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.492 2.159 -9.246 1.00 0.00 H new ATOM 219 N ARG A 13 -15.959 4.954 -7.756 1.00 0.00 N ATOM 220 CA ARG A 13 -16.173 5.663 -9.017 1.00 0.00 C ATOM 221 C ARG A 13 -17.608 5.493 -9.511 1.00 0.00 C ATOM 222 O ARG A 13 -18.236 4.459 -9.281 1.00 0.00 O ATOM 223 CB ARG A 13 -15.193 5.156 -10.077 1.00 0.00 C ATOM 224 CG ARG A 13 -14.499 6.266 -10.846 1.00 0.00 C ATOM 225 CD ARG A 13 -13.469 5.712 -11.817 1.00 0.00 C ATOM 226 NE ARG A 13 -14.041 5.460 -13.138 1.00 0.00 N ATOM 227 CZ ARG A 13 -13.493 4.651 -14.042 1.00 0.00 C ATOM 228 NH1 ARG A 13 -12.360 4.013 -13.773 1.00 0.00 N ATOM 229 NH2 ARG A 13 -14.080 4.477 -15.219 1.00 0.00 N ATOM 0 H ARG A 13 -15.114 4.384 -7.735 1.00 0.00 H new ATOM 0 HA ARG A 13 -15.998 6.724 -8.841 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -14.439 4.534 -9.594 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -15.729 4.519 -10.780 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -15.240 6.849 -11.393 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -14.012 6.945 -10.146 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.642 6.416 -11.909 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -13.056 4.785 -11.418 1.00 0.00 H new ATOM 0 HE ARG A 13 -14.912 5.932 -13.382 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.905 4.141 -12.869 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.945 3.394 -14.470 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.951 4.963 -15.431 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.660 3.857 -15.912 1.00 0.00 H new ATOM 319 N LYS A 20 -14.845 11.396 -13.702 1.00 0.00 N ATOM 320 CA LYS A 20 -14.839 10.610 -12.474 1.00 0.00 C ATOM 321 C LYS A 20 -15.791 11.201 -11.438 1.00 0.00 C ATOM 322 O LYS A 20 -16.032 12.408 -11.416 1.00 0.00 O ATOM 323 CB LYS A 20 -13.423 10.524 -11.906 1.00 0.00 C ATOM 324 CG LYS A 20 -12.872 9.106 -11.881 1.00 0.00 C ATOM 325 CD LYS A 20 -11.444 9.075 -11.371 1.00 0.00 C ATOM 326 CE LYS A 20 -10.497 8.462 -12.390 1.00 0.00 C ATOM 327 NZ LYS A 20 -9.101 8.385 -11.879 1.00 0.00 N ATOM 0 HA LYS A 20 -15.184 9.605 -12.715 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.761 11.154 -12.501 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.420 10.926 -10.893 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.500 8.481 -11.246 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.911 8.681 -12.884 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.119 10.089 -11.136 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.401 8.503 -10.444 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.843 7.462 -12.651 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.516 9.054 -13.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.489 7.961 -12.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.760 9.342 -11.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.077 7.798 -11.021 1.00 0.00 H new ATOM 341 N GLU A 21 -16.322 10.337 -10.582 1.00 0.00 N ATOM 342 CA GLU A 21 -17.245 10.752 -9.537 1.00 0.00 C ATOM 343 C GLU A 21 -17.427 9.624 -8.533 1.00 0.00 C ATOM 344 O GLU A 21 -18.167 8.672 -8.773 1.00 0.00 O ATOM 345 CB GLU A 21 -18.596 11.153 -10.137 1.00 0.00 C ATOM 346 CG GLU A 21 -19.086 12.515 -9.672 1.00 0.00 C ATOM 347 CD GLU A 21 -20.021 13.170 -10.670 1.00 0.00 C ATOM 348 OE1 GLU A 21 -19.911 12.867 -11.876 1.00 0.00 O ATOM 349 OE2 GLU A 21 -20.866 13.987 -10.244 1.00 0.00 O ATOM 0 H GLU A 21 -16.126 9.336 -10.593 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.828 11.620 -9.026 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -18.515 11.157 -11.224 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.339 10.400 -9.875 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.599 12.406 -8.717 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.229 13.166 -9.501 1.00 0.00 H new ATOM 356 N TRP A 22 -16.720 9.732 -7.418 1.00 0.00 N ATOM 357 CA TRP A 22 -16.770 8.716 -6.377 1.00 0.00 C ATOM 358 C TRP A 22 -17.816 9.050 -5.320 1.00 0.00 C ATOM 359 O TRP A 22 -17.962 10.203 -4.914 1.00 0.00 O ATOM 360 CB TRP A 22 -15.394 8.572 -5.727 1.00 0.00 C ATOM 361 CG TRP A 22 -14.269 8.493 -6.715 1.00 0.00 C ATOM 362 CD1 TRP A 22 -13.932 9.425 -7.658 1.00 0.00 C ATOM 363 CD2 TRP A 22 -13.330 7.422 -6.859 1.00 0.00 C ATOM 364 NE1 TRP A 22 -12.843 8.996 -8.377 1.00 0.00 N ATOM 365 CE2 TRP A 22 -12.455 7.770 -7.905 1.00 0.00 C ATOM 366 CE3 TRP A 22 -13.142 6.201 -6.206 1.00 0.00 C ATOM 367 CZ2 TRP A 22 -11.414 6.941 -8.309 1.00 0.00 C ATOM 368 CZ3 TRP A 22 -12.106 5.381 -6.610 1.00 0.00 C ATOM 369 CH2 TRP A 22 -11.259 5.756 -7.648 1.00 0.00 C ATOM 0 H TRP A 22 -16.102 10.517 -7.210 1.00 0.00 H new ATOM 0 HA TRP A 22 -17.055 7.771 -6.840 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -15.225 9.420 -5.063 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -15.386 7.675 -5.107 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -14.447 10.361 -7.814 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -12.396 9.507 -9.138 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -13.795 5.903 -5.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -10.753 7.224 -9.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -11.951 4.435 -6.113 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -10.458 5.093 -7.939 1.00 0.00 H new ATOM 380 N LYS A 23 -18.537 8.026 -4.874 1.00 0.00 N ATOM 381 CA LYS A 23 -19.566 8.197 -3.856 1.00 0.00 C ATOM 382 C LYS A 23 -19.132 7.543 -2.548 1.00 0.00 C ATOM 383 O LYS A 23 -18.232 6.703 -2.534 1.00 0.00 O ATOM 384 CB LYS A 23 -20.889 7.595 -4.329 1.00 0.00 C ATOM 385 CG LYS A 23 -21.819 8.606 -4.979 1.00 0.00 C ATOM 386 CD LYS A 23 -21.517 8.773 -6.462 1.00 0.00 C ATOM 387 CE LYS A 23 -21.216 10.221 -6.812 1.00 0.00 C ATOM 388 NZ LYS A 23 -21.881 10.638 -8.078 1.00 0.00 N ATOM 0 H LYS A 23 -18.427 7.067 -5.203 1.00 0.00 H new ATOM 0 HA LYS A 23 -19.708 9.264 -3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -20.681 6.795 -5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.397 7.141 -3.478 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -22.853 8.285 -4.852 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -21.720 9.568 -4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -20.666 8.148 -6.733 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -22.368 8.426 -7.049 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -21.547 10.867 -5.999 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -20.138 10.355 -6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.650 11.632 -8.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -21.547 10.039 -8.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -22.911 10.535 -7.979 1.00 0.00 H new ATOM 402 N LYS A 24 -19.773 7.932 -1.450 1.00 0.00 N ATOM 403 CA LYS A 24 -19.442 7.378 -0.143 1.00 0.00 C ATOM 404 C LYS A 24 -19.981 5.960 0.006 1.00 0.00 C ATOM 405 O LYS A 24 -21.188 5.749 0.127 1.00 0.00 O ATOM 406 CB LYS A 24 -19.997 8.270 0.970 1.00 0.00 C ATOM 407 CG LYS A 24 -19.105 8.329 2.198 1.00 0.00 C ATOM 408 CD LYS A 24 -17.808 9.071 1.912 1.00 0.00 C ATOM 409 CE LYS A 24 -18.044 10.562 1.741 1.00 0.00 C ATOM 410 NZ LYS A 24 -17.986 10.974 0.312 1.00 0.00 N ATOM 0 H LYS A 24 -20.521 8.625 -1.440 1.00 0.00 H new ATOM 0 HA LYS A 24 -18.356 7.340 -0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -20.135 9.279 0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -20.981 7.904 1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -19.636 8.824 3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -18.880 7.317 2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -17.105 8.904 2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.349 8.669 1.009 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -19.017 10.825 2.155 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.296 11.115 2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.609 11.793 0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.009 11.232 0.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -18.298 10.185 -0.290 1.00 0.00 H new ATOM 424 N LYS A 25 -19.073 4.991 0.002 1.00 0.00 N ATOM 425 CA LYS A 25 -19.441 3.587 0.145 1.00 0.00 C ATOM 426 C LYS A 25 -19.029 3.065 1.514 1.00 0.00 C ATOM 427 O LYS A 25 -18.483 3.804 2.332 1.00 0.00 O ATOM 428 CB LYS A 25 -18.784 2.746 -0.951 1.00 0.00 C ATOM 429 CG LYS A 25 -19.297 3.057 -2.347 1.00 0.00 C ATOM 430 CD LYS A 25 -20.720 2.557 -2.546 1.00 0.00 C ATOM 431 CE LYS A 25 -20.766 1.367 -3.491 1.00 0.00 C ATOM 432 NZ LYS A 25 -22.012 1.352 -4.307 1.00 0.00 N ATOM 0 H LYS A 25 -18.071 5.153 -0.099 1.00 0.00 H new ATOM 0 HA LYS A 25 -20.524 3.508 0.048 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -17.706 2.908 -0.925 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.953 1.691 -0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.262 4.133 -2.517 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -18.642 2.596 -3.087 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -21.145 2.275 -1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.337 3.363 -2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -19.900 1.395 -4.152 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -20.698 0.444 -2.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -22.573 0.509 -4.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.569 2.207 -4.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -21.765 1.329 -5.317 1.00 0.00 H new ATOM 446 N TYR A 26 -19.295 1.790 1.756 1.00 0.00 N ATOM 447 CA TYR A 26 -18.954 1.163 3.026 1.00 0.00 C ATOM 448 C TYR A 26 -18.336 -0.208 2.787 1.00 0.00 C ATOM 449 O TYR A 26 -18.998 -1.111 2.282 1.00 0.00 O ATOM 450 CB TYR A 26 -20.210 1.040 3.889 1.00 0.00 C ATOM 451 CG TYR A 26 -19.956 0.519 5.285 1.00 0.00 C ATOM 452 CD1 TYR A 26 -19.957 -0.843 5.550 1.00 0.00 C ATOM 453 CD2 TYR A 26 -19.732 1.394 6.339 1.00 0.00 C ATOM 454 CE1 TYR A 26 -19.738 -1.320 6.828 1.00 0.00 C ATOM 455 CE2 TYR A 26 -19.511 0.925 7.620 1.00 0.00 C ATOM 456 CZ TYR A 26 -19.516 -0.432 7.860 1.00 0.00 C ATOM 457 OH TYR A 26 -19.297 -0.904 9.133 1.00 0.00 O ATOM 0 H TYR A 26 -19.748 1.167 1.087 1.00 0.00 H new ATOM 0 HA TYR A 26 -18.224 1.782 3.548 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -20.685 2.018 3.960 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -20.917 0.377 3.389 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -20.132 -1.541 4.745 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -19.730 2.458 6.155 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -19.741 -2.383 7.018 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -19.335 1.619 8.429 1.00 0.00 H new ATOM 0 HH TYR A 26 -20.146 -1.200 9.523 1.00 0.00 H new ATOM 467 N VAL A 27 -17.063 -0.360 3.140 1.00 0.00 N ATOM 468 CA VAL A 27 -16.369 -1.629 2.943 1.00 0.00 C ATOM 469 C VAL A 27 -15.888 -2.216 4.254 1.00 0.00 C ATOM 470 O VAL A 27 -15.463 -1.492 5.155 1.00 0.00 O ATOM 471 CB VAL A 27 -15.140 -1.485 2.017 1.00 0.00 C ATOM 472 CG1 VAL A 27 -14.853 -2.802 1.313 1.00 0.00 C ATOM 473 CG2 VAL A 27 -15.349 -0.372 1.002 1.00 0.00 C ATOM 0 H VAL A 27 -16.494 0.374 3.561 1.00 0.00 H new ATOM 0 HA VAL A 27 -17.102 -2.290 2.481 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.279 -1.222 2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.985 -2.686 0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.651 -3.575 2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.717 -3.091 0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -14.469 -0.292 0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -16.223 -0.597 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -15.505 0.572 1.524 1.00 0.00 H new ATOM 483 N THR A 28 -15.916 -3.540 4.340 1.00 0.00 N ATOM 484 CA THR A 28 -15.438 -4.224 5.526 1.00 0.00 C ATOM 485 C THR A 28 -14.637 -5.465 5.153 1.00 0.00 C ATOM 486 O THR A 28 -15.187 -6.460 4.674 1.00 0.00 O ATOM 487 CB THR A 28 -16.580 -4.621 6.460 1.00 0.00 C ATOM 488 OG1 THR A 28 -17.297 -3.477 6.894 1.00 0.00 O ATOM 489 CG2 THR A 28 -16.091 -5.360 7.694 1.00 0.00 C ATOM 0 H THR A 28 -16.264 -4.155 3.605 1.00 0.00 H new ATOM 0 HA THR A 28 -14.794 -3.520 6.053 1.00 0.00 H new ATOM 0 HB THR A 28 -17.224 -5.283 5.881 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.107 -3.373 6.352 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.942 -5.619 8.324 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.573 -6.270 7.392 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.407 -4.722 8.253 1.00 0.00 H new ATOM 497 N LEU A 29 -13.342 -5.401 5.407 1.00 0.00 N ATOM 498 CA LEU A 29 -12.454 -6.511 5.152 1.00 0.00 C ATOM 499 C LEU A 29 -12.417 -7.379 6.394 1.00 0.00 C ATOM 500 O LEU A 29 -11.976 -6.929 7.452 1.00 0.00 O ATOM 501 CB LEU A 29 -11.051 -6.017 4.812 1.00 0.00 C ATOM 502 CG LEU A 29 -10.463 -6.609 3.537 1.00 0.00 C ATOM 503 CD1 LEU A 29 -10.352 -8.117 3.660 1.00 0.00 C ATOM 504 CD2 LEU A 29 -11.313 -6.231 2.335 1.00 0.00 C ATOM 0 H LEU A 29 -12.881 -4.578 5.795 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.817 -7.084 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.075 -4.932 4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.387 -6.248 5.645 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.463 -6.200 3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.930 -8.527 2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.704 -8.367 4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -11.342 -8.542 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.879 -6.662 1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.325 -6.614 2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.346 -5.146 2.239 1.00 0.00 H new ATOM 516 N SER A 30 -12.909 -8.599 6.273 1.00 0.00 N ATOM 517 CA SER A 30 -12.957 -9.512 7.406 1.00 0.00 C ATOM 518 C SER A 30 -11.847 -10.546 7.336 1.00 0.00 C ATOM 519 O SER A 30 -11.226 -10.740 6.290 1.00 0.00 O ATOM 520 CB SER A 30 -14.316 -10.213 7.463 1.00 0.00 C ATOM 521 OG SER A 30 -14.432 -11.009 8.629 1.00 0.00 O ATOM 0 H SER A 30 -13.281 -8.982 5.404 1.00 0.00 H new ATOM 0 HA SER A 30 -12.814 -8.923 8.312 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.113 -9.470 7.446 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.444 -10.837 6.579 1.00 0.00 H new ATOM 0 HG SER A 30 -15.310 -11.444 8.642 1.00 0.00 H new ATOM 527 N SER A 31 -11.606 -11.213 8.458 1.00 0.00 N ATOM 528 CA SER A 31 -10.575 -12.236 8.527 1.00 0.00 C ATOM 529 C SER A 31 -11.073 -13.561 7.944 1.00 0.00 C ATOM 530 O SER A 31 -10.360 -14.564 7.962 1.00 0.00 O ATOM 531 CB SER A 31 -10.122 -12.441 9.974 1.00 0.00 C ATOM 532 OG SER A 31 -8.863 -13.086 10.029 1.00 0.00 O ATOM 0 H SER A 31 -12.111 -11.063 9.331 1.00 0.00 H new ATOM 0 HA SER A 31 -9.727 -11.896 7.933 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.062 -11.477 10.479 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.862 -13.036 10.509 1.00 0.00 H new ATOM 0 HG SER A 31 -8.845 -13.823 9.383 1.00 0.00 H new ATOM 538 N ASN A 32 -12.303 -13.558 7.425 1.00 0.00 N ATOM 539 CA ASN A 32 -12.895 -14.755 6.835 1.00 0.00 C ATOM 540 C ASN A 32 -12.641 -14.808 5.336 1.00 0.00 C ATOM 541 O ASN A 32 -13.409 -15.413 4.588 1.00 0.00 O ATOM 542 CB ASN A 32 -14.400 -14.798 7.118 1.00 0.00 C ATOM 543 CG ASN A 32 -14.806 -16.038 7.891 1.00 0.00 C ATOM 544 OD1 ASN A 32 -15.743 -16.740 7.511 1.00 0.00 O ATOM 545 ND2 ASN A 32 -14.102 -16.313 8.982 1.00 0.00 N ATOM 0 H ASN A 32 -12.907 -12.737 7.403 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.424 -15.626 7.291 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.687 -13.911 7.683 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.946 -14.766 6.175 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.330 -17.134 9.542 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -13.333 -15.703 9.260 1.00 0.00 H new ATOM 552 N GLY A 33 -11.566 -14.164 4.902 1.00 0.00 N ATOM 553 CA GLY A 33 -11.238 -14.144 3.492 1.00 0.00 C ATOM 554 C GLY A 33 -12.403 -13.668 2.654 1.00 0.00 C ATOM 555 O GLY A 33 -12.703 -14.244 1.607 1.00 0.00 O ATOM 0 H GLY A 33 -10.916 -13.656 5.502 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.380 -13.492 3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.944 -15.144 3.172 1.00 0.00 H new ATOM 559 N PHE A 34 -13.067 -12.618 3.122 1.00 0.00 N ATOM 560 CA PHE A 34 -14.213 -12.071 2.415 1.00 0.00 C ATOM 561 C PHE A 34 -14.210 -10.549 2.440 1.00 0.00 C ATOM 562 O PHE A 34 -14.195 -9.932 3.505 1.00 0.00 O ATOM 563 CB PHE A 34 -15.510 -12.598 3.028 1.00 0.00 C ATOM 564 CG PHE A 34 -16.386 -13.302 2.038 1.00 0.00 C ATOM 565 CD1 PHE A 34 -15.906 -14.388 1.326 1.00 0.00 C ATOM 566 CD2 PHE A 34 -17.685 -12.879 1.818 1.00 0.00 C ATOM 567 CE1 PHE A 34 -16.706 -15.042 0.410 1.00 0.00 C ATOM 568 CE2 PHE A 34 -18.492 -13.527 0.902 1.00 0.00 C ATOM 569 CZ PHE A 34 -18.002 -14.611 0.197 1.00 0.00 C ATOM 0 H PHE A 34 -12.830 -12.131 3.986 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.146 -12.392 1.375 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -15.268 -13.283 3.841 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -16.062 -11.766 3.465 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -14.894 -14.728 1.489 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -18.072 -12.034 2.368 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.320 -15.888 -0.139 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -19.504 -13.187 0.737 1.00 0.00 H new ATOM 0 HZ PHE A 34 -18.631 -15.120 -0.519 1.00 0.00 H new ATOM 579 N LEU A 35 -14.244 -9.951 1.256 1.00 0.00 N ATOM 580 CA LEU A 35 -14.266 -8.502 1.133 1.00 0.00 C ATOM 581 C LEU A 35 -15.687 -8.034 0.837 1.00 0.00 C ATOM 582 O LEU A 35 -16.260 -8.385 -0.195 1.00 0.00 O ATOM 583 CB LEU A 35 -13.305 -8.059 0.022 1.00 0.00 C ATOM 584 CG LEU A 35 -13.577 -6.678 -0.583 1.00 0.00 C ATOM 585 CD1 LEU A 35 -13.772 -5.633 0.507 1.00 0.00 C ATOM 586 CD2 LEU A 35 -12.444 -6.275 -1.516 1.00 0.00 C ATOM 0 H LEU A 35 -14.257 -10.450 0.366 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.940 -8.051 2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.291 -8.067 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.339 -8.798 -0.778 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.499 -6.736 -1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.963 -4.662 0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.620 -5.913 1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.873 -5.575 1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.652 -5.292 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.508 -6.240 -0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.359 -7.005 -2.321 1.00 0.00 H new ATOM 598 N LEU A 36 -16.261 -7.255 1.747 1.00 0.00 N ATOM 599 CA LEU A 36 -17.625 -6.767 1.567 1.00 0.00 C ATOM 600 C LEU A 36 -17.662 -5.258 1.368 1.00 0.00 C ATOM 601 O LEU A 36 -16.889 -4.519 1.975 1.00 0.00 O ATOM 602 CB LEU A 36 -18.487 -7.151 2.771 1.00 0.00 C ATOM 603 CG LEU A 36 -18.266 -8.570 3.303 1.00 0.00 C ATOM 604 CD1 LEU A 36 -17.733 -8.531 4.728 1.00 0.00 C ATOM 605 CD2 LEU A 36 -19.557 -9.372 3.239 1.00 0.00 C ATOM 0 H LEU A 36 -15.809 -6.950 2.609 1.00 0.00 H new ATOM 0 HA LEU A 36 -18.025 -7.235 0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -18.293 -6.443 3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -19.536 -7.042 2.496 1.00 0.00 H new ATOM 0 HG LEU A 36 -17.525 -9.060 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -17.583 -9.549 5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -16.784 -7.995 4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -18.450 -8.021 5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -19.380 -10.377 3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -20.320 -8.883 3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -19.898 -9.431 2.205 1.00 0.00 H new ATOM 617 N TYR A 37 -18.581 -4.809 0.520 1.00 0.00 N ATOM 618 CA TYR A 37 -18.742 -3.388 0.245 1.00 0.00 C ATOM 619 C TYR A 37 -20.183 -3.086 -0.163 1.00 0.00 C ATOM 620 O TYR A 37 -20.720 -3.694 -1.091 1.00 0.00 O ATOM 621 CB TYR A 37 -17.744 -2.927 -0.829 1.00 0.00 C ATOM 622 CG TYR A 37 -18.321 -2.771 -2.222 1.00 0.00 C ATOM 623 CD1 TYR A 37 -18.692 -3.883 -2.969 1.00 0.00 C ATOM 624 CD2 TYR A 37 -18.481 -1.514 -2.793 1.00 0.00 C ATOM 625 CE1 TYR A 37 -19.206 -3.745 -4.244 1.00 0.00 C ATOM 626 CE2 TYR A 37 -18.997 -1.369 -4.066 1.00 0.00 C ATOM 627 CZ TYR A 37 -19.357 -2.488 -4.788 1.00 0.00 C ATOM 628 OH TYR A 37 -19.868 -2.347 -6.058 1.00 0.00 O ATOM 0 H TYR A 37 -19.227 -5.412 0.010 1.00 0.00 H new ATOM 0 HA TYR A 37 -18.527 -2.828 1.155 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -17.318 -1.972 -0.521 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -16.923 -3.643 -0.871 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -18.577 -4.870 -2.546 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -18.197 -0.636 -2.232 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -19.488 -4.619 -4.812 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -19.118 -0.385 -4.494 1.00 0.00 H new ATOM 0 HH TYR A 37 -19.910 -1.396 -6.290 1.00 0.00 H new ATOM 638 N HIS A 38 -20.805 -2.150 0.546 1.00 0.00 N ATOM 639 CA HIS A 38 -22.183 -1.770 0.276 1.00 0.00 C ATOM 640 C HIS A 38 -22.262 -0.313 -0.176 1.00 0.00 C ATOM 641 O HIS A 38 -21.333 0.465 0.039 1.00 0.00 O ATOM 642 CB HIS A 38 -23.052 -1.969 1.523 1.00 0.00 C ATOM 643 CG HIS A 38 -22.781 -3.234 2.286 1.00 0.00 C ATOM 644 ND1 HIS A 38 -21.517 -3.639 2.671 1.00 0.00 N ATOM 645 CD2 HIS A 38 -23.630 -4.186 2.747 1.00 0.00 C ATOM 646 CE1 HIS A 38 -21.602 -4.782 3.328 1.00 0.00 C ATOM 647 NE2 HIS A 38 -22.872 -5.134 3.389 1.00 0.00 N ATOM 0 H HIS A 38 -20.372 -1.639 1.316 1.00 0.00 H new ATOM 0 HA HIS A 38 -22.557 -2.410 -0.523 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -22.904 -1.120 2.191 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -24.100 -1.960 1.223 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -24.704 -4.196 2.631 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -20.773 -5.334 3.744 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -23.233 -5.975 3.840 1.00 0.00 H new ATOM 656 N PRO A 39 -23.380 0.076 -0.817 1.00 0.00 N ATOM 657 CA PRO A 39 -23.580 1.447 -1.303 1.00 0.00 C ATOM 658 C PRO A 39 -23.240 2.506 -0.257 1.00 0.00 C ATOM 659 O PRO A 39 -22.657 3.542 -0.578 1.00 0.00 O ATOM 660 CB PRO A 39 -25.072 1.484 -1.633 1.00 0.00 C ATOM 661 CG PRO A 39 -25.414 0.077 -1.981 1.00 0.00 C ATOM 662 CD PRO A 39 -24.535 -0.791 -1.119 1.00 0.00 C ATOM 0 HA PRO A 39 -22.929 1.675 -2.147 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -25.657 1.836 -0.784 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -25.278 2.159 -2.464 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -26.468 -0.126 -1.792 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -25.237 -0.117 -3.039 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -25.049 -1.105 -0.210 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -24.230 -1.697 -1.642 1.00 0.00 H new ATOM 670 N SER A 40 -23.608 2.245 0.994 1.00 0.00 N ATOM 671 CA SER A 40 -23.339 3.185 2.080 1.00 0.00 C ATOM 672 C SER A 40 -23.553 2.528 3.442 1.00 0.00 C ATOM 673 O SER A 40 -23.838 1.334 3.527 1.00 0.00 O ATOM 674 CB SER A 40 -24.237 4.416 1.948 1.00 0.00 C ATOM 675 OG SER A 40 -25.598 4.043 1.814 1.00 0.00 O ATOM 0 H SER A 40 -24.092 1.394 1.281 1.00 0.00 H new ATOM 0 HA SER A 40 -22.296 3.492 2.009 1.00 0.00 H new ATOM 0 HB2 SER A 40 -24.116 5.054 2.824 1.00 0.00 H new ATOM 0 HB3 SER A 40 -23.930 5.002 1.082 1.00 0.00 H new ATOM 0 HG SER A 40 -25.714 3.116 2.109 1.00 0.00 H new ATOM 681 N ILE A 41 -23.412 3.316 4.505 1.00 0.00 N ATOM 682 CA ILE A 41 -23.590 2.811 5.861 1.00 0.00 C ATOM 683 C ILE A 41 -24.983 2.218 6.048 1.00 0.00 C ATOM 684 O ILE A 41 -25.132 1.138 6.618 1.00 0.00 O ATOM 685 CB ILE A 41 -23.342 3.916 6.911 1.00 0.00 C ATOM 686 CG1 ILE A 41 -21.853 4.256 6.965 1.00 0.00 C ATOM 687 CG2 ILE A 41 -23.838 3.485 8.287 1.00 0.00 C ATOM 688 CD1 ILE A 41 -21.402 5.184 5.858 1.00 0.00 C ATOM 0 H ILE A 41 -23.175 4.307 4.452 1.00 0.00 H new ATOM 0 HA ILE A 41 -22.852 2.023 6.010 1.00 0.00 H new ATOM 0 HB ILE A 41 -23.901 4.804 6.616 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -21.629 4.716 7.927 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -21.276 3.333 6.911 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -23.651 4.282 9.007 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -24.908 3.281 8.241 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -23.310 2.583 8.598 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -20.335 5.381 5.960 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -21.594 4.718 4.892 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -21.952 6.123 5.923 1.00 0.00 H new ATOM 700 N ASN A 42 -26.003 2.915 5.550 1.00 0.00 N ATOM 701 CA ASN A 42 -27.377 2.429 5.657 1.00 0.00 C ATOM 702 C ASN A 42 -27.464 0.995 5.137 1.00 0.00 C ATOM 703 O ASN A 42 -28.316 0.212 5.554 1.00 0.00 O ATOM 704 CB ASN A 42 -28.321 3.332 4.861 1.00 0.00 C ATOM 705 CG ASN A 42 -28.235 4.782 5.294 1.00 0.00 C ATOM 706 OD1 ASN A 42 -27.921 5.664 4.493 1.00 0.00 O ATOM 707 ND2 ASN A 42 -28.512 5.037 6.567 1.00 0.00 N ATOM 0 H ASN A 42 -25.905 3.811 5.072 1.00 0.00 H new ATOM 0 HA ASN A 42 -27.676 2.447 6.705 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -28.082 3.258 3.800 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -29.345 2.979 4.983 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -28.469 5.994 6.916 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -28.768 4.276 7.196 1.00 0.00 H new ATOM 714 N ASP A 43 -26.567 0.654 4.223 1.00 0.00 N ATOM 715 CA ASP A 43 -26.536 -0.683 3.655 1.00 0.00 C ATOM 716 C ASP A 43 -25.906 -1.673 4.632 1.00 0.00 C ATOM 717 O ASP A 43 -26.360 -2.809 4.755 1.00 0.00 O ATOM 718 CB ASP A 43 -25.774 -0.676 2.333 1.00 0.00 C ATOM 719 CG ASP A 43 -26.324 0.346 1.358 1.00 0.00 C ATOM 720 OD1 ASP A 43 -26.051 1.551 1.544 1.00 0.00 O ATOM 721 OD2 ASP A 43 -27.027 -0.057 0.408 1.00 0.00 O ATOM 0 H ASP A 43 -25.852 1.285 3.860 1.00 0.00 H new ATOM 0 HA ASP A 43 -27.561 -1.001 3.466 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -24.722 -0.464 2.524 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.823 -1.667 1.883 1.00 0.00 H new ATOM 726 N TYR A 44 -24.862 -1.233 5.332 1.00 0.00 N ATOM 727 CA TYR A 44 -24.180 -2.083 6.308 1.00 0.00 C ATOM 728 C TYR A 44 -25.054 -2.262 7.545 1.00 0.00 C ATOM 729 O TYR A 44 -25.304 -3.381 7.994 1.00 0.00 O ATOM 730 CB TYR A 44 -22.823 -1.468 6.683 1.00 0.00 C ATOM 731 CG TYR A 44 -22.490 -1.529 8.164 1.00 0.00 C ATOM 732 CD1 TYR A 44 -22.048 -2.710 8.747 1.00 0.00 C ATOM 733 CD2 TYR A 44 -22.619 -0.406 8.971 1.00 0.00 C ATOM 734 CE1 TYR A 44 -21.743 -2.769 10.095 1.00 0.00 C ATOM 735 CE2 TYR A 44 -22.315 -0.459 10.320 1.00 0.00 C ATOM 736 CZ TYR A 44 -21.878 -1.642 10.875 1.00 0.00 C ATOM 737 OH TYR A 44 -21.574 -1.698 12.216 1.00 0.00 O ATOM 0 H TYR A 44 -24.470 -0.296 5.242 1.00 0.00 H new ATOM 0 HA TYR A 44 -24.003 -3.064 5.867 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -22.039 -1.982 6.126 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -22.810 -0.426 6.363 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -21.941 -3.596 8.138 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -22.962 0.523 8.539 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -21.401 -3.695 10.534 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -22.420 0.423 10.935 1.00 0.00 H new ATOM 0 HH TYR A 44 -21.722 -0.818 12.622 1.00 0.00 H new ATOM 747 N ILE A 45 -25.516 -1.141 8.083 1.00 0.00 N ATOM 748 CA ILE A 45 -26.370 -1.134 9.260 1.00 0.00 C ATOM 749 C ILE A 45 -27.619 -1.975 9.032 1.00 0.00 C ATOM 750 O ILE A 45 -27.874 -2.953 9.737 1.00 0.00 O ATOM 751 CB ILE A 45 -26.787 0.319 9.605 1.00 0.00 C ATOM 752 CG1 ILE A 45 -25.672 1.014 10.387 1.00 0.00 C ATOM 753 CG2 ILE A 45 -28.105 0.370 10.379 1.00 0.00 C ATOM 754 CD1 ILE A 45 -25.847 2.514 10.480 1.00 0.00 C ATOM 0 H ILE A 45 -25.309 -0.213 7.715 1.00 0.00 H new ATOM 0 HA ILE A 45 -25.805 -1.562 10.089 1.00 0.00 H new ATOM 0 HB ILE A 45 -26.948 0.849 8.666 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -25.630 0.598 11.393 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -24.715 0.796 9.912 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -28.358 1.407 10.599 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -28.897 -0.077 9.778 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -28.001 -0.184 11.312 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -25.021 2.942 11.048 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -25.859 2.942 9.478 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -26.788 2.740 10.982 1.00 0.00 H new ATOM 766 N HIS A 46 -28.396 -1.561 8.048 1.00 0.00 N ATOM 767 CA HIS A 46 -29.641 -2.224 7.699 1.00 0.00 C ATOM 768 C HIS A 46 -29.394 -3.553 6.984 1.00 0.00 C ATOM 769 O HIS A 46 -30.222 -4.461 7.046 1.00 0.00 O ATOM 770 CB HIS A 46 -30.485 -1.266 6.860 1.00 0.00 C ATOM 771 CG HIS A 46 -30.568 0.098 7.482 1.00 0.00 C ATOM 772 ND1 HIS A 46 -29.615 1.048 7.666 1.00 0.00 N flip ATOM 773 CD2 HIS A 46 -31.712 0.602 8.059 1.00 0.00 C flip ATOM 774 CE1 HIS A 46 -30.193 2.086 8.340 1.00 0.00 C flip ATOM 775 NE2 HIS A 46 -31.454 1.796 8.567 1.00 0.00 N flip ATOM 0 H HIS A 46 -28.181 -0.752 7.465 1.00 0.00 H new ATOM 0 HA HIS A 46 -30.187 -2.475 8.609 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -30.056 -1.184 5.861 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -31.489 -1.674 6.743 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -32.669 0.102 8.092 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -29.695 2.997 8.638 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -32.123 2.392 9.054 1.00 0.00 H new ATOM 784 N SER A 47 -28.241 -3.671 6.328 1.00 0.00 N ATOM 785 CA SER A 47 -27.873 -4.900 5.626 1.00 0.00 C ATOM 786 C SER A 47 -28.642 -5.066 4.318 1.00 0.00 C ATOM 787 O SER A 47 -29.513 -5.928 4.202 1.00 0.00 O ATOM 788 CB SER A 47 -28.104 -6.120 6.522 1.00 0.00 C ATOM 789 OG SER A 47 -27.107 -7.105 6.313 1.00 0.00 O ATOM 0 H SER A 47 -27.544 -2.929 6.268 1.00 0.00 H new ATOM 0 HA SER A 47 -26.813 -4.824 5.383 1.00 0.00 H new ATOM 0 HB2 SER A 47 -28.101 -5.812 7.568 1.00 0.00 H new ATOM 0 HB3 SER A 47 -29.087 -6.544 6.317 1.00 0.00 H new ATOM 0 HG SER A 47 -27.277 -7.872 6.899 1.00 0.00 H new ATOM 795 N THR A 48 -28.293 -4.254 3.328 1.00 0.00 N ATOM 796 CA THR A 48 -28.930 -4.328 2.018 1.00 0.00 C ATOM 797 C THR A 48 -28.212 -5.367 1.156 1.00 0.00 C ATOM 798 O THR A 48 -27.624 -6.310 1.683 1.00 0.00 O ATOM 799 CB THR A 48 -28.920 -2.954 1.338 1.00 0.00 C ATOM 800 OG1 THR A 48 -27.612 -2.596 0.928 1.00 0.00 O ATOM 801 CG2 THR A 48 -29.445 -1.847 2.225 1.00 0.00 C ATOM 0 H THR A 48 -27.572 -3.536 3.407 1.00 0.00 H new ATOM 0 HA THR A 48 -29.969 -4.633 2.142 1.00 0.00 H new ATOM 0 HB THR A 48 -29.582 -3.057 0.478 1.00 0.00 H new ATOM 0 HG1 THR A 48 -27.601 -1.655 0.656 1.00 0.00 H new ATOM 0 HG21 THR A 48 -29.411 -0.901 1.685 1.00 0.00 H new ATOM 0 HG22 THR A 48 -30.474 -2.066 2.510 1.00 0.00 H new ATOM 0 HG23 THR A 48 -28.828 -1.775 3.121 1.00 0.00 H new ATOM 809 N HIS A 49 -28.262 -5.194 -0.165 1.00 0.00 N ATOM 810 CA HIS A 49 -27.611 -6.123 -1.092 1.00 0.00 C ATOM 811 C HIS A 49 -26.262 -6.596 -0.551 1.00 0.00 C ATOM 812 O HIS A 49 -26.026 -7.794 -0.401 1.00 0.00 O ATOM 813 CB HIS A 49 -27.420 -5.461 -2.456 1.00 0.00 C ATOM 814 CG HIS A 49 -27.184 -6.437 -3.568 1.00 0.00 C ATOM 815 ND1 HIS A 49 -26.198 -7.399 -3.526 1.00 0.00 N ATOM 816 CD2 HIS A 49 -27.813 -6.596 -4.756 1.00 0.00 C ATOM 817 CE1 HIS A 49 -26.230 -8.108 -4.641 1.00 0.00 C ATOM 818 NE2 HIS A 49 -27.202 -7.641 -5.403 1.00 0.00 N ATOM 0 H HIS A 49 -28.746 -4.419 -0.618 1.00 0.00 H new ATOM 0 HA HIS A 49 -28.258 -6.994 -1.200 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -28.303 -4.865 -2.688 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -26.576 -4.773 -2.402 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -28.641 -6.010 -5.126 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -25.573 -8.929 -4.887 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -27.457 -7.999 -6.323 1.00 0.00 H new ATOM 827 N GLY A 50 -25.390 -5.642 -0.256 1.00 0.00 N ATOM 828 CA GLY A 50 -24.080 -5.967 0.274 1.00 0.00 C ATOM 829 C GLY A 50 -23.275 -6.851 -0.657 1.00 0.00 C ATOM 830 O GLY A 50 -23.461 -8.067 -0.688 1.00 0.00 O ATOM 0 H GLY A 50 -25.567 -4.645 -0.375 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -23.529 -5.045 0.460 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -24.196 -6.468 1.235 1.00 0.00 H new ATOM 834 N LYS A 51 -22.374 -6.235 -1.412 1.00 0.00 N ATOM 835 CA LYS A 51 -21.530 -6.970 -2.347 1.00 0.00 C ATOM 836 C LYS A 51 -20.354 -7.623 -1.623 1.00 0.00 C ATOM 837 O LYS A 51 -19.733 -7.013 -0.753 1.00 0.00 O ATOM 838 CB LYS A 51 -21.017 -6.037 -3.446 1.00 0.00 C ATOM 839 CG LYS A 51 -21.714 -6.231 -4.783 1.00 0.00 C ATOM 840 CD LYS A 51 -20.954 -7.200 -5.673 1.00 0.00 C ATOM 841 CE LYS A 51 -21.561 -8.593 -5.625 1.00 0.00 C ATOM 842 NZ LYS A 51 -20.728 -9.587 -6.357 1.00 0.00 N ATOM 0 H LYS A 51 -22.209 -5.229 -1.396 1.00 0.00 H new ATOM 0 HA LYS A 51 -22.133 -7.756 -2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.148 -5.004 -3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.947 -6.197 -3.577 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -22.724 -6.604 -4.617 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -21.809 -5.270 -5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.960 -6.834 -6.700 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -19.912 -7.245 -5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -21.671 -8.906 -4.587 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.561 -8.568 -6.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -21.176 -10.524 -6.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -20.644 -9.303 -7.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -19.781 -9.630 -5.928 1.00 0.00 H new ATOM 856 N GLU A 52 -20.054 -8.866 -1.990 1.00 0.00 N ATOM 857 CA GLU A 52 -18.951 -9.602 -1.380 1.00 0.00 C ATOM 858 C GLU A 52 -18.075 -10.247 -2.446 1.00 0.00 C ATOM 859 O GLU A 52 -18.574 -10.874 -3.382 1.00 0.00 O ATOM 860 CB GLU A 52 -19.486 -10.669 -0.424 1.00 0.00 C ATOM 861 CG GLU A 52 -20.333 -11.730 -1.108 1.00 0.00 C ATOM 862 CD GLU A 52 -21.532 -12.143 -0.277 1.00 0.00 C ATOM 863 OE1 GLU A 52 -21.474 -12.001 0.962 1.00 0.00 O ATOM 864 OE2 GLU A 52 -22.530 -12.609 -0.867 1.00 0.00 O ATOM 0 H GLU A 52 -20.560 -9.385 -2.708 1.00 0.00 H new ATOM 0 HA GLU A 52 -18.343 -8.895 -0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -18.646 -11.153 0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -20.081 -10.185 0.351 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -20.676 -11.351 -2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -19.717 -12.606 -1.311 1.00 0.00 H new ATOM 871 N MET A 53 -16.769 -10.086 -2.293 1.00 0.00 N ATOM 872 CA MET A 53 -15.810 -10.642 -3.233 1.00 0.00 C ATOM 873 C MET A 53 -14.914 -11.665 -2.541 1.00 0.00 C ATOM 874 O MET A 53 -14.194 -11.335 -1.597 1.00 0.00 O ATOM 875 CB MET A 53 -14.972 -9.512 -3.846 1.00 0.00 C ATOM 876 CG MET A 53 -13.571 -9.926 -4.274 1.00 0.00 C ATOM 877 SD MET A 53 -12.996 -9.055 -5.743 1.00 0.00 S ATOM 878 CE MET A 53 -13.830 -7.488 -5.542 1.00 0.00 C ATOM 0 H MET A 53 -16.348 -9.571 -1.520 1.00 0.00 H new ATOM 0 HA MET A 53 -16.349 -11.153 -4.031 1.00 0.00 H new ATOM 0 HB2 MET A 53 -15.500 -9.114 -4.712 1.00 0.00 H new ATOM 0 HB3 MET A 53 -14.892 -8.702 -3.121 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.877 -9.741 -3.454 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.558 -10.999 -4.466 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.360 -6.741 -6.182 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.879 -7.596 -5.819 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.761 -7.170 -4.502 1.00 0.00 H new ATOM 888 N ASP A 54 -14.958 -12.906 -3.017 1.00 0.00 N ATOM 889 CA ASP A 54 -14.143 -13.972 -2.443 1.00 0.00 C ATOM 890 C ASP A 54 -12.669 -13.585 -2.460 1.00 0.00 C ATOM 891 O ASP A 54 -12.141 -13.158 -3.487 1.00 0.00 O ATOM 892 CB ASP A 54 -14.352 -15.277 -3.215 1.00 0.00 C ATOM 893 CG ASP A 54 -14.008 -16.499 -2.387 1.00 0.00 C ATOM 894 OD1 ASP A 54 -13.196 -16.371 -1.448 1.00 0.00 O ATOM 895 OD2 ASP A 54 -14.551 -17.585 -2.678 1.00 0.00 O ATOM 0 H ASP A 54 -15.548 -13.198 -3.797 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.453 -14.122 -1.409 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.391 -15.342 -3.539 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.737 -15.266 -4.115 1.00 0.00 H new ATOM 900 N LEU A 55 -12.010 -13.724 -1.315 1.00 0.00 N ATOM 901 CA LEU A 55 -10.599 -13.374 -1.206 1.00 0.00 C ATOM 902 C LEU A 55 -9.704 -14.592 -1.412 1.00 0.00 C ATOM 903 O LEU A 55 -8.613 -14.668 -0.851 1.00 0.00 O ATOM 904 CB LEU A 55 -10.313 -12.746 0.157 1.00 0.00 C ATOM 905 CG LEU A 55 -10.755 -11.290 0.307 1.00 0.00 C ATOM 906 CD1 LEU A 55 -10.692 -10.860 1.763 1.00 0.00 C ATOM 907 CD2 LEU A 55 -9.893 -10.380 -0.557 1.00 0.00 C ATOM 0 H LEU A 55 -12.428 -14.075 -0.453 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.376 -12.652 -1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.808 -13.341 0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.242 -12.806 0.349 1.00 0.00 H new ATOM 0 HG LEU A 55 -11.788 -11.208 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.010 -9.821 1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.351 -11.492 2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.669 -10.958 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.221 -9.347 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.851 -10.467 -0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.989 -10.673 -1.602 1.00 0.00 H new ATOM 919 N LEU A 56 -10.162 -15.541 -2.221 1.00 0.00 N ATOM 920 CA LEU A 56 -9.386 -16.745 -2.493 1.00 0.00 C ATOM 921 C LEU A 56 -8.362 -16.486 -3.595 1.00 0.00 C ATOM 922 O LEU A 56 -7.159 -16.633 -3.385 1.00 0.00 O ATOM 923 CB LEU A 56 -10.311 -17.898 -2.891 1.00 0.00 C ATOM 924 CG LEU A 56 -10.111 -19.189 -2.095 1.00 0.00 C ATOM 925 CD1 LEU A 56 -11.209 -20.190 -2.417 1.00 0.00 C ATOM 926 CD2 LEU A 56 -8.741 -19.784 -2.381 1.00 0.00 C ATOM 0 H LEU A 56 -11.063 -15.500 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.853 -17.022 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.345 -17.572 -2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.163 -18.114 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.166 -18.951 -1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.050 -21.102 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -12.178 -19.763 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.187 -20.424 -3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.616 -20.702 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.656 -20.007 -3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.968 -19.070 -2.097 1.00 0.00 H new ATOM 938 N ARG A 57 -8.849 -16.094 -4.767 1.00 0.00 N ATOM 939 CA ARG A 57 -7.980 -15.806 -5.902 1.00 0.00 C ATOM 940 C ARG A 57 -8.180 -14.369 -6.374 1.00 0.00 C ATOM 941 O ARG A 57 -8.474 -14.118 -7.543 1.00 0.00 O ATOM 942 CB ARG A 57 -8.254 -16.790 -7.045 1.00 0.00 C ATOM 943 CG ARG A 57 -7.140 -17.801 -7.256 1.00 0.00 C ATOM 944 CD ARG A 57 -7.131 -18.336 -8.680 1.00 0.00 C ATOM 945 NE ARG A 57 -5.789 -18.336 -9.258 1.00 0.00 N ATOM 946 CZ ARG A 57 -5.187 -17.247 -9.732 1.00 0.00 C ATOM 947 NH1 ARG A 57 -5.801 -16.072 -9.697 1.00 0.00 N ATOM 948 NH2 ARG A 57 -3.965 -17.335 -10.241 1.00 0.00 N ATOM 0 H ARG A 57 -9.843 -15.968 -4.956 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.944 -15.923 -5.585 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.183 -17.322 -6.840 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.405 -16.230 -7.968 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.179 -17.336 -7.036 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.262 -18.628 -6.557 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.529 -19.351 -8.688 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.792 -17.729 -9.299 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.284 -19.221 -9.301 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.740 -15.999 -9.305 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.334 -15.242 -10.062 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.488 -18.236 -10.269 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.503 -16.502 -10.604 1.00 0.00 H new ATOM 962 N THR A 58 -8.023 -13.429 -5.450 1.00 0.00 N ATOM 963 CA THR A 58 -8.190 -12.013 -5.760 1.00 0.00 C ATOM 964 C THR A 58 -6.842 -11.327 -5.943 1.00 0.00 C ATOM 965 O THR A 58 -5.807 -11.840 -5.519 1.00 0.00 O ATOM 966 CB THR A 58 -8.977 -11.314 -4.649 1.00 0.00 C ATOM 967 OG1 THR A 58 -8.935 -12.072 -3.456 1.00 0.00 O ATOM 968 CG2 THR A 58 -10.430 -11.084 -4.997 1.00 0.00 C ATOM 0 H THR A 58 -7.780 -13.621 -4.478 1.00 0.00 H new ATOM 0 HA THR A 58 -8.745 -11.940 -6.696 1.00 0.00 H new ATOM 0 HB THR A 58 -8.496 -10.345 -4.519 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.401 -12.923 -3.593 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.929 -10.585 -4.166 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.496 -10.459 -5.888 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.914 -12.042 -5.188 1.00 0.00 H new ATOM 976 N THR A 59 -6.868 -10.160 -6.575 1.00 0.00 N ATOM 977 CA THR A 59 -5.656 -9.393 -6.815 1.00 0.00 C ATOM 978 C THR A 59 -5.865 -7.931 -6.437 1.00 0.00 C ATOM 979 O THR A 59 -6.998 -7.459 -6.343 1.00 0.00 O ATOM 980 CB THR A 59 -5.237 -9.496 -8.285 1.00 0.00 C ATOM 981 OG1 THR A 59 -6.109 -10.357 -9.000 1.00 0.00 O ATOM 982 CG2 THR A 59 -3.830 -10.017 -8.470 1.00 0.00 C ATOM 0 H THR A 59 -7.719 -9.725 -6.931 1.00 0.00 H new ATOM 0 HA THR A 59 -4.863 -9.808 -6.193 1.00 0.00 H new ATOM 0 HB THR A 59 -5.286 -8.477 -8.669 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.824 -10.407 -9.936 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.597 -10.065 -9.534 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.126 -9.348 -7.974 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.751 -11.014 -8.036 1.00 0.00 H new ATOM 990 N VAL A 60 -4.767 -7.219 -6.227 1.00 0.00 N ATOM 991 CA VAL A 60 -4.825 -5.811 -5.865 1.00 0.00 C ATOM 992 C VAL A 60 -3.885 -4.994 -6.741 1.00 0.00 C ATOM 993 O VAL A 60 -2.685 -5.262 -6.793 1.00 0.00 O ATOM 994 CB VAL A 60 -4.457 -5.588 -4.386 1.00 0.00 C ATOM 995 CG1 VAL A 60 -4.711 -4.144 -3.983 1.00 0.00 C ATOM 996 CG2 VAL A 60 -5.237 -6.543 -3.494 1.00 0.00 C ATOM 0 H VAL A 60 -3.822 -7.596 -6.302 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.853 -5.483 -6.021 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.394 -5.793 -4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.445 -4.007 -2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.105 -3.482 -4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.766 -3.907 -4.124 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.965 -6.372 -2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.306 -6.371 -3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.000 -7.571 -3.767 1.00 0.00 H new ATOM 1407 N PHE A 90 -4.906 8.512 -3.547 1.00 0.00 N ATOM 1408 CA PHE A 90 -4.647 7.079 -3.452 1.00 0.00 C ATOM 1409 C PHE A 90 -5.901 6.277 -3.783 1.00 0.00 C ATOM 1410 O PHE A 90 -6.986 6.567 -3.280 1.00 0.00 O ATOM 1411 CB PHE A 90 -4.138 6.710 -2.054 1.00 0.00 C ATOM 1412 CG PHE A 90 -4.654 7.594 -0.952 1.00 0.00 C ATOM 1413 CD1 PHE A 90 -4.310 8.935 -0.900 1.00 0.00 C ATOM 1414 CD2 PHE A 90 -5.478 7.081 0.038 1.00 0.00 C ATOM 1415 CE1 PHE A 90 -4.776 9.747 0.115 1.00 0.00 C ATOM 1416 CE2 PHE A 90 -5.948 7.888 1.055 1.00 0.00 C ATOM 1417 CZ PHE A 90 -5.595 9.224 1.094 1.00 0.00 C ATOM 0 HA PHE A 90 -3.875 6.830 -4.180 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -4.419 5.679 -1.838 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.049 6.749 -2.055 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.669 9.351 -1.663 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.756 6.038 0.013 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.499 10.791 0.142 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.591 7.476 1.819 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.960 9.857 1.889 1.00 0.00 H new ATOM 1427 N GLU A 91 -5.743 5.272 -4.639 1.00 0.00 N ATOM 1428 CA GLU A 91 -6.864 4.428 -5.052 1.00 0.00 C ATOM 1429 C GLU A 91 -6.382 3.017 -5.385 1.00 0.00 C ATOM 1430 O GLU A 91 -5.419 2.844 -6.131 1.00 0.00 O ATOM 1431 CB GLU A 91 -7.579 5.041 -6.263 1.00 0.00 C ATOM 1432 CG GLU A 91 -7.467 6.556 -6.352 1.00 0.00 C ATOM 1433 CD GLU A 91 -6.105 7.015 -6.836 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -5.613 6.458 -7.840 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -5.529 7.929 -6.210 1.00 0.00 O ATOM 0 H GLU A 91 -4.849 5.020 -5.062 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.569 4.367 -4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.169 4.603 -7.173 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.633 4.767 -6.225 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.234 6.934 -7.028 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.664 6.989 -5.371 1.00 0.00 H new ATOM 1442 N PHE A 92 -7.052 2.010 -4.827 1.00 0.00 N ATOM 1443 CA PHE A 92 -6.678 0.618 -5.071 1.00 0.00 C ATOM 1444 C PHE A 92 -7.832 -0.168 -5.688 1.00 0.00 C ATOM 1445 O PHE A 92 -9.001 0.112 -5.419 1.00 0.00 O ATOM 1446 CB PHE A 92 -6.208 -0.051 -3.772 1.00 0.00 C ATOM 1447 CG PHE A 92 -7.290 -0.237 -2.742 1.00 0.00 C ATOM 1448 CD1 PHE A 92 -8.257 -1.216 -2.901 1.00 0.00 C ATOM 1449 CD2 PHE A 92 -7.332 0.562 -1.610 1.00 0.00 C ATOM 1450 CE1 PHE A 92 -9.248 -1.395 -1.953 1.00 0.00 C ATOM 1451 CE2 PHE A 92 -8.322 0.390 -0.658 1.00 0.00 C ATOM 1452 CZ PHE A 92 -9.281 -0.591 -0.829 1.00 0.00 C ATOM 0 H PHE A 92 -7.852 2.131 -4.206 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.853 0.616 -5.783 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.781 -1.025 -4.013 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.408 0.549 -3.337 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -8.237 -1.848 -3.777 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.583 1.328 -1.469 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -9.995 -2.162 -2.091 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.345 1.022 0.218 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.053 -0.729 -0.087 1.00 0.00 H new ATOM 1462 N LEU A 93 -7.492 -1.144 -6.527 1.00 0.00 N ATOM 1463 CA LEU A 93 -8.495 -1.967 -7.198 1.00 0.00 C ATOM 1464 C LEU A 93 -8.480 -3.401 -6.677 1.00 0.00 C ATOM 1465 O LEU A 93 -7.419 -3.953 -6.375 1.00 0.00 O ATOM 1466 CB LEU A 93 -8.250 -1.968 -8.708 1.00 0.00 C ATOM 1467 CG LEU A 93 -8.648 -0.680 -9.433 1.00 0.00 C ATOM 1468 CD1 LEU A 93 -7.604 -0.309 -10.476 1.00 0.00 C ATOM 1469 CD2 LEU A 93 -10.016 -0.834 -10.080 1.00 0.00 C ATOM 0 H LEU A 93 -6.528 -1.384 -6.758 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.473 -1.536 -6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.191 -2.155 -8.888 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.800 -2.799 -9.149 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.702 0.125 -8.700 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.904 0.609 -10.981 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.641 -0.157 -9.989 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.518 -1.113 -11.207 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.283 0.091 -10.591 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.988 -1.651 -10.801 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.759 -1.052 -9.313 1.00 0.00 H new ATOM 1481 N ILE A 94 -9.667 -3.999 -6.584 1.00 0.00 N ATOM 1482 CA ILE A 94 -9.813 -5.373 -6.111 1.00 0.00 C ATOM 1483 C ILE A 94 -10.332 -6.265 -7.234 1.00 0.00 C ATOM 1484 O ILE A 94 -11.490 -6.159 -7.628 1.00 0.00 O ATOM 1485 CB ILE A 94 -10.794 -5.444 -4.923 1.00 0.00 C ATOM 1486 CG1 ILE A 94 -10.529 -4.302 -3.936 1.00 0.00 C ATOM 1487 CG2 ILE A 94 -10.706 -6.791 -4.221 1.00 0.00 C ATOM 1488 CD1 ILE A 94 -9.198 -4.410 -3.224 1.00 0.00 C ATOM 0 H ILE A 94 -10.548 -3.548 -6.832 1.00 0.00 H new ATOM 0 HA ILE A 94 -8.832 -5.720 -5.786 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.805 -5.334 -5.314 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.568 -3.354 -4.472 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.327 -4.282 -3.194 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -11.408 -6.814 -3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -10.953 -7.585 -4.925 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -9.693 -6.941 -3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.081 -3.568 -2.542 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.162 -5.342 -2.659 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.391 -4.399 -3.957 1.00 0.00 H new ATOM 1500 N VAL A 95 -9.475 -7.137 -7.757 1.00 0.00 N ATOM 1501 CA VAL A 95 -9.873 -8.025 -8.846 1.00 0.00 C ATOM 1502 C VAL A 95 -10.136 -9.443 -8.354 1.00 0.00 C ATOM 1503 O VAL A 95 -9.298 -10.047 -7.687 1.00 0.00 O ATOM 1504 CB VAL A 95 -8.804 -8.067 -9.959 1.00 0.00 C ATOM 1505 CG1 VAL A 95 -9.199 -9.053 -11.053 1.00 0.00 C ATOM 1506 CG2 VAL A 95 -8.590 -6.680 -10.542 1.00 0.00 C ATOM 0 H VAL A 95 -8.509 -7.248 -7.448 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.798 -7.617 -9.252 1.00 0.00 H new ATOM 0 HB VAL A 95 -7.866 -8.406 -9.519 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.431 -9.065 -11.826 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.299 -10.050 -10.625 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -10.150 -8.749 -11.491 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.833 -6.727 -11.325 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.526 -6.314 -10.964 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.257 -6.002 -9.756 1.00 0.00 H new ATOM 1516 N SER A 96 -11.302 -9.973 -8.709 1.00 0.00 N ATOM 1517 CA SER A 96 -11.677 -11.327 -8.326 1.00 0.00 C ATOM 1518 C SER A 96 -11.302 -12.307 -9.432 1.00 0.00 C ATOM 1519 O SER A 96 -10.665 -11.930 -10.414 1.00 0.00 O ATOM 1520 CB SER A 96 -13.177 -11.403 -8.036 1.00 0.00 C ATOM 1521 OG SER A 96 -13.422 -11.968 -6.759 1.00 0.00 O ATOM 0 H SER A 96 -12.004 -9.483 -9.263 1.00 0.00 H new ATOM 0 HA SER A 96 -11.135 -11.596 -7.419 1.00 0.00 H new ATOM 0 HB2 SER A 96 -13.611 -10.404 -8.085 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.669 -12.002 -8.803 1.00 0.00 H new ATOM 0 HG SER A 96 -14.388 -12.004 -6.597 1.00 0.00 H new ATOM 1527 N SER A 97 -11.697 -13.565 -9.270 1.00 0.00 N ATOM 1528 CA SER A 97 -11.392 -14.585 -10.265 1.00 0.00 C ATOM 1529 C SER A 97 -12.468 -14.654 -11.345 1.00 0.00 C ATOM 1530 O SER A 97 -12.370 -15.457 -12.273 1.00 0.00 O ATOM 1531 CB SER A 97 -11.232 -15.952 -9.597 1.00 0.00 C ATOM 1532 OG SER A 97 -10.557 -15.837 -8.356 1.00 0.00 O ATOM 0 H SER A 97 -12.225 -13.901 -8.465 1.00 0.00 H new ATOM 0 HA SER A 97 -10.452 -14.308 -10.743 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.213 -16.401 -9.441 1.00 0.00 H new ATOM 0 HB3 SER A 97 -10.677 -16.620 -10.256 1.00 0.00 H new ATOM 0 HG SER A 97 -9.958 -15.061 -8.380 1.00 0.00 H new ATOM 1538 N THR A 98 -13.488 -13.811 -11.232 1.00 0.00 N ATOM 1539 CA THR A 98 -14.563 -13.790 -12.214 1.00 0.00 C ATOM 1540 C THR A 98 -14.583 -12.466 -12.967 1.00 0.00 C ATOM 1541 O THR A 98 -15.608 -12.070 -13.522 1.00 0.00 O ATOM 1542 CB THR A 98 -15.913 -14.034 -11.540 1.00 0.00 C ATOM 1543 OG1 THR A 98 -16.974 -13.862 -12.463 1.00 0.00 O ATOM 1544 CG2 THR A 98 -16.171 -13.112 -10.366 1.00 0.00 C ATOM 0 H THR A 98 -13.592 -13.137 -10.474 1.00 0.00 H new ATOM 0 HA THR A 98 -14.381 -14.591 -12.930 1.00 0.00 H new ATOM 0 HB THR A 98 -15.872 -15.060 -11.174 1.00 0.00 H new ATOM 0 HG1 THR A 98 -16.933 -12.960 -12.844 1.00 0.00 H new ATOM 0 HG21 THR A 98 -17.146 -13.338 -9.933 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.397 -13.257 -9.612 1.00 0.00 H new ATOM 0 HG23 THR A 98 -16.156 -12.077 -10.706 1.00 0.00 H new ATOM 1552 N GLY A 99 -13.439 -11.793 -12.988 1.00 0.00 N ATOM 1553 CA GLY A 99 -13.339 -10.521 -13.682 1.00 0.00 C ATOM 1554 C GLY A 99 -13.840 -9.346 -12.859 1.00 0.00 C ATOM 1555 O GLY A 99 -13.485 -8.199 -13.132 1.00 0.00 O ATOM 0 H GLY A 99 -12.579 -12.104 -12.537 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.299 -10.346 -13.957 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.909 -10.575 -14.609 1.00 0.00 H new ATOM 1559 N GLN A 100 -14.664 -9.623 -11.849 1.00 0.00 N ATOM 1560 CA GLN A 100 -15.204 -8.571 -10.994 1.00 0.00 C ATOM 1561 C GLN A 100 -14.085 -7.706 -10.424 1.00 0.00 C ATOM 1562 O GLN A 100 -13.135 -8.217 -9.833 1.00 0.00 O ATOM 1563 CB GLN A 100 -16.023 -9.180 -9.854 1.00 0.00 C ATOM 1564 CG GLN A 100 -17.156 -8.287 -9.374 1.00 0.00 C ATOM 1565 CD GLN A 100 -18.375 -8.357 -10.273 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -18.499 -7.595 -11.232 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -19.282 -9.277 -9.967 1.00 0.00 N ATOM 0 H GLN A 100 -14.970 -10.565 -11.605 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.853 -7.941 -11.602 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -16.437 -10.133 -10.184 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.360 -9.394 -9.016 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -17.438 -8.577 -8.362 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.805 -7.256 -9.324 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -19.138 -9.887 -9.163 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -20.123 -9.373 -10.536 1.00 0.00 H new ATOM 1576 N THR A 101 -14.199 -6.397 -10.612 1.00 0.00 N ATOM 1577 CA THR A 101 -13.187 -5.473 -10.118 1.00 0.00 C ATOM 1578 C THR A 101 -13.807 -4.364 -9.272 1.00 0.00 C ATOM 1579 O THR A 101 -14.561 -3.532 -9.775 1.00 0.00 O ATOM 1580 CB THR A 101 -12.415 -4.860 -11.288 1.00 0.00 C ATOM 1581 OG1 THR A 101 -12.023 -5.863 -12.209 1.00 0.00 O ATOM 1582 CG2 THR A 101 -11.166 -4.119 -10.858 1.00 0.00 C ATOM 0 H THR A 101 -14.977 -5.954 -11.100 1.00 0.00 H new ATOM 0 HA THR A 101 -12.502 -6.039 -9.487 1.00 0.00 H new ATOM 0 HB THR A 101 -13.101 -4.148 -11.746 1.00 0.00 H new ATOM 0 HG1 THR A 101 -11.532 -5.452 -12.951 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.666 -3.709 -11.735 1.00 0.00 H new ATOM 0 HG22 THR A 101 -11.439 -3.307 -10.183 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.493 -4.807 -10.345 1.00 0.00 H new ATOM 1590 N TRP A 102 -13.469 -4.352 -7.985 1.00 0.00 N ATOM 1591 CA TRP A 102 -13.973 -3.341 -7.068 1.00 0.00 C ATOM 1592 C TRP A 102 -12.975 -2.202 -6.936 1.00 0.00 C ATOM 1593 O TRP A 102 -11.940 -2.349 -6.285 1.00 0.00 O ATOM 1594 CB TRP A 102 -14.213 -3.939 -5.687 1.00 0.00 C ATOM 1595 CG TRP A 102 -15.290 -4.974 -5.640 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -15.920 -5.562 -6.697 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -15.855 -5.549 -4.462 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -16.844 -6.472 -6.243 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -16.828 -6.477 -4.873 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -15.632 -5.367 -3.097 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -17.576 -7.218 -3.959 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -16.378 -6.104 -2.199 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -17.333 -7.012 -2.634 1.00 0.00 C ATOM 0 H TRP A 102 -12.845 -5.035 -7.555 1.00 0.00 H new ATOM 0 HA TRP A 102 -14.913 -2.965 -7.471 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -13.284 -4.383 -5.330 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -14.468 -3.135 -4.996 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -15.722 -5.345 -7.736 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -17.445 -7.050 -6.831 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -14.890 -4.663 -2.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -18.320 -7.928 -4.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -16.215 -5.972 -1.140 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -17.899 -7.570 -1.903 1.00 0.00 H new ATOM 1614 N HIS A 103 -13.279 -1.067 -7.546 1.00 0.00 N ATOM 1615 CA HIS A 103 -12.390 0.078 -7.468 1.00 0.00 C ATOM 1616 C HIS A 103 -12.797 1.007 -6.333 1.00 0.00 C ATOM 1617 O HIS A 103 -13.884 1.581 -6.347 1.00 0.00 O ATOM 1618 CB HIS A 103 -12.368 0.851 -8.786 1.00 0.00 C ATOM 1619 CG HIS A 103 -11.282 1.874 -8.821 1.00 0.00 C ATOM 1620 ND1 HIS A 103 -10.378 2.020 -7.793 1.00 0.00 N ATOM 1621 CD2 HIS A 103 -10.959 2.811 -9.744 1.00 0.00 C ATOM 1622 CE1 HIS A 103 -9.550 3.000 -8.071 1.00 0.00 C ATOM 1623 NE2 HIS A 103 -9.875 3.497 -9.255 1.00 0.00 N ATOM 0 H HIS A 103 -14.126 -0.916 -8.095 1.00 0.00 H new ATOM 0 HA HIS A 103 -11.387 -0.301 -7.270 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -12.234 0.153 -9.612 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -13.331 1.340 -8.935 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -11.459 2.985 -10.685 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -8.742 3.343 -7.442 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -9.397 4.265 -9.727 1.00 0.00 H new ATOM 1632 N PHE A 104 -11.920 1.155 -5.344 1.00 0.00 N ATOM 1633 CA PHE A 104 -12.206 2.021 -4.209 1.00 0.00 C ATOM 1634 C PHE A 104 -11.093 3.038 -3.985 1.00 0.00 C ATOM 1635 O PHE A 104 -9.934 2.802 -4.325 1.00 0.00 O ATOM 1636 CB PHE A 104 -12.390 1.199 -2.930 1.00 0.00 C ATOM 1637 CG PHE A 104 -13.417 0.105 -3.030 1.00 0.00 C ATOM 1638 CD1 PHE A 104 -14.612 0.310 -3.702 1.00 0.00 C ATOM 1639 CD2 PHE A 104 -13.188 -1.129 -2.440 1.00 0.00 C ATOM 1640 CE1 PHE A 104 -15.558 -0.694 -3.783 1.00 0.00 C ATOM 1641 CE2 PHE A 104 -14.132 -2.135 -2.515 1.00 0.00 C ATOM 1642 CZ PHE A 104 -15.318 -1.916 -3.187 1.00 0.00 C ATOM 0 H PHE A 104 -11.013 0.690 -5.307 1.00 0.00 H new ATOM 0 HA PHE A 104 -13.129 2.552 -4.441 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -11.432 0.756 -2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -12.672 1.871 -2.120 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -14.806 1.265 -4.167 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.261 -1.306 -1.916 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -16.484 -0.523 -4.312 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -13.943 -3.091 -2.049 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.058 -2.700 -3.246 1.00 0.00 H new ATOM 1652 N GLU A 105 -11.462 4.163 -3.383 1.00 0.00 N ATOM 1653 CA GLU A 105 -10.510 5.220 -3.072 1.00 0.00 C ATOM 1654 C GLU A 105 -10.415 5.394 -1.562 1.00 0.00 C ATOM 1655 O GLU A 105 -11.351 5.875 -0.920 1.00 0.00 O ATOM 1656 CB GLU A 105 -10.925 6.535 -3.738 1.00 0.00 C ATOM 1657 CG GLU A 105 -10.094 7.733 -3.305 1.00 0.00 C ATOM 1658 CD GLU A 105 -10.250 8.919 -4.237 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -11.252 8.961 -4.981 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -9.367 9.801 -4.227 1.00 0.00 O ATOM 0 H GLU A 105 -12.421 4.366 -3.099 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.531 4.940 -3.461 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.848 6.423 -4.820 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.973 6.731 -3.511 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.386 8.027 -2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.044 7.445 -3.262 1.00 0.00 H new ATOM 1667 N ALA A 106 -9.285 4.978 -1.001 1.00 0.00 N ATOM 1668 CA ALA A 106 -9.060 5.061 0.436 1.00 0.00 C ATOM 1669 C ALA A 106 -9.290 6.473 0.967 1.00 0.00 C ATOM 1670 O ALA A 106 -8.680 7.433 0.496 1.00 0.00 O ATOM 1671 CB ALA A 106 -7.650 4.598 0.766 1.00 0.00 C ATOM 0 H ALA A 106 -8.506 4.578 -1.524 1.00 0.00 H new ATOM 0 HA ALA A 106 -9.782 4.407 0.925 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -7.488 4.663 1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.521 3.566 0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -6.929 5.233 0.252 1.00 0.00 H new ATOM 1677 N ALA A 107 -10.163 6.588 1.963 1.00 0.00 N ATOM 1678 CA ALA A 107 -10.461 7.878 2.573 1.00 0.00 C ATOM 1679 C ALA A 107 -9.281 8.348 3.415 1.00 0.00 C ATOM 1680 O ALA A 107 -9.025 9.545 3.536 1.00 0.00 O ATOM 1681 CB ALA A 107 -11.721 7.785 3.421 1.00 0.00 C ATOM 0 H ALA A 107 -10.676 5.803 2.364 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.633 8.608 1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -11.930 8.756 3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.561 7.487 2.793 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -11.576 7.045 4.208 1.00 0.00 H new ATOM 1687 N SER A 108 -8.561 7.388 3.990 1.00 0.00 N ATOM 1688 CA SER A 108 -7.399 7.685 4.814 1.00 0.00 C ATOM 1689 C SER A 108 -6.154 7.026 4.229 1.00 0.00 C ATOM 1690 O SER A 108 -6.190 5.869 3.813 1.00 0.00 O ATOM 1691 CB SER A 108 -7.625 7.203 6.248 1.00 0.00 C ATOM 1692 OG SER A 108 -8.130 8.245 7.063 1.00 0.00 O ATOM 0 H SER A 108 -8.766 6.393 3.898 1.00 0.00 H new ATOM 0 HA SER A 108 -7.251 8.765 4.828 1.00 0.00 H new ATOM 0 HB2 SER A 108 -8.324 6.366 6.248 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.687 6.835 6.663 1.00 0.00 H new ATOM 0 HG SER A 108 -8.267 7.911 7.974 1.00 0.00 H new ATOM 1698 N PHE A 109 -5.055 7.772 4.193 1.00 0.00 N ATOM 1699 CA PHE A 109 -3.802 7.261 3.646 1.00 0.00 C ATOM 1700 C PHE A 109 -3.386 5.961 4.333 1.00 0.00 C ATOM 1701 O PHE A 109 -3.108 4.962 3.669 1.00 0.00 O ATOM 1702 CB PHE A 109 -2.697 8.309 3.783 1.00 0.00 C ATOM 1703 CG PHE A 109 -2.363 8.987 2.487 1.00 0.00 C ATOM 1704 CD1 PHE A 109 -1.872 8.257 1.416 1.00 0.00 C ATOM 1705 CD2 PHE A 109 -2.548 10.351 2.335 1.00 0.00 C ATOM 1706 CE1 PHE A 109 -1.573 8.875 0.218 1.00 0.00 C ATOM 1707 CE2 PHE A 109 -2.252 10.976 1.139 1.00 0.00 C ATOM 1708 CZ PHE A 109 -1.765 10.237 0.079 1.00 0.00 C ATOM 0 H PHE A 109 -5.006 8.732 4.536 1.00 0.00 H new ATOM 0 HA PHE A 109 -3.960 7.047 2.589 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -3.006 9.060 4.510 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.800 7.832 4.178 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -1.722 7.193 1.520 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -2.928 10.933 3.161 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -1.190 8.295 -0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.401 12.040 1.033 1.00 0.00 H new ATOM 0 HZ PHE A 109 -1.534 10.723 -0.858 1.00 0.00 H new ATOM 1718 N GLU A 110 -3.344 5.979 5.660 1.00 0.00 N ATOM 1719 CA GLU A 110 -2.962 4.796 6.425 1.00 0.00 C ATOM 1720 C GLU A 110 -3.913 3.639 6.138 1.00 0.00 C ATOM 1721 O GLU A 110 -3.493 2.486 6.022 1.00 0.00 O ATOM 1722 CB GLU A 110 -2.952 5.113 7.923 1.00 0.00 C ATOM 1723 CG GLU A 110 -1.651 4.740 8.613 1.00 0.00 C ATOM 1724 CD GLU A 110 -0.560 5.772 8.398 1.00 0.00 C ATOM 1725 OE1 GLU A 110 -0.896 6.961 8.219 1.00 0.00 O ATOM 1726 OE2 GLU A 110 0.629 5.389 8.407 1.00 0.00 O ATOM 0 H GLU A 110 -3.569 6.796 6.228 1.00 0.00 H new ATOM 0 HA GLU A 110 -1.958 4.500 6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.135 6.178 8.062 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -3.774 4.583 8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -1.831 4.624 9.682 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -1.311 3.774 8.241 1.00 0.00 H new ATOM 1733 N GLU A 111 -5.197 3.957 6.021 1.00 0.00 N ATOM 1734 CA GLU A 111 -6.215 2.953 5.745 1.00 0.00 C ATOM 1735 C GLU A 111 -6.016 2.344 4.361 1.00 0.00 C ATOM 1736 O GLU A 111 -6.299 1.166 4.144 1.00 0.00 O ATOM 1737 CB GLU A 111 -7.610 3.573 5.847 1.00 0.00 C ATOM 1738 CG GLU A 111 -8.726 2.549 5.981 1.00 0.00 C ATOM 1739 CD GLU A 111 -9.731 2.919 7.054 1.00 0.00 C ATOM 1740 OE1 GLU A 111 -9.468 2.627 8.240 1.00 0.00 O ATOM 1741 OE2 GLU A 111 -10.782 3.499 6.708 1.00 0.00 O ATOM 0 H GLU A 111 -5.558 4.907 6.114 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.121 2.160 6.487 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.638 4.243 6.707 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -7.793 4.183 4.962 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.240 2.451 5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.295 1.575 6.213 1.00 0.00 H new ATOM 1748 N ARG A 112 -5.526 3.151 3.427 1.00 0.00 N ATOM 1749 CA ARG A 112 -5.293 2.687 2.063 1.00 0.00 C ATOM 1750 C ARG A 112 -4.367 1.479 2.045 1.00 0.00 C ATOM 1751 O ARG A 112 -4.665 0.465 1.415 1.00 0.00 O ATOM 1752 CB ARG A 112 -4.694 3.807 1.213 1.00 0.00 C ATOM 1753 CG ARG A 112 -4.685 3.496 -0.274 1.00 0.00 C ATOM 1754 CD ARG A 112 -3.267 3.411 -0.822 1.00 0.00 C ATOM 1755 NE ARG A 112 -3.087 2.252 -1.692 1.00 0.00 N ATOM 1756 CZ ARG A 112 -3.376 2.245 -2.992 1.00 0.00 C ATOM 1757 NH1 ARG A 112 -3.867 3.331 -3.577 1.00 0.00 N ATOM 1758 NH2 ARG A 112 -3.177 1.148 -3.709 1.00 0.00 N ATOM 0 H ARG A 112 -5.282 4.128 3.588 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.255 2.393 1.643 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -5.260 4.723 1.382 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -3.673 3.997 1.543 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -5.201 2.553 -0.452 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -5.237 4.268 -0.811 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -3.037 4.321 -1.377 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -2.561 3.356 0.006 1.00 0.00 H new ATOM 0 HE ARG A 112 -2.717 1.396 -1.279 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -4.025 4.178 -3.030 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -4.086 3.319 -4.573 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.803 0.309 -3.265 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -3.398 1.142 -4.705 1.00 0.00 H new ATOM 1772 N ASP A 113 -3.244 1.590 2.740 1.00 0.00 N ATOM 1773 CA ASP A 113 -2.281 0.501 2.801 1.00 0.00 C ATOM 1774 C ASP A 113 -2.849 -0.669 3.590 1.00 0.00 C ATOM 1775 O ASP A 113 -2.654 -1.829 3.223 1.00 0.00 O ATOM 1776 CB ASP A 113 -0.970 0.976 3.430 1.00 0.00 C ATOM 1777 CG ASP A 113 -0.122 1.780 2.466 1.00 0.00 C ATOM 1778 OD1 ASP A 113 -0.701 2.528 1.648 1.00 0.00 O ATOM 1779 OD2 ASP A 113 1.119 1.665 2.526 1.00 0.00 O ATOM 0 H ASP A 113 -2.978 2.421 3.268 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.077 0.169 1.783 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.191 1.583 4.308 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.402 0.112 3.775 1.00 0.00 H new ATOM 1784 N ALA A 114 -3.565 -0.363 4.667 1.00 0.00 N ATOM 1785 CA ALA A 114 -4.168 -1.400 5.490 1.00 0.00 C ATOM 1786 C ALA A 114 -5.115 -2.250 4.657 1.00 0.00 C ATOM 1787 O ALA A 114 -5.029 -3.474 4.665 1.00 0.00 O ATOM 1788 CB ALA A 114 -4.897 -0.788 6.676 1.00 0.00 C ATOM 0 H ALA A 114 -3.740 0.589 4.987 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.375 -2.042 5.875 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.341 -1.580 7.279 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.191 -0.222 7.284 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.682 -0.123 6.317 1.00 0.00 H new ATOM 1794 N TRP A 115 -6.007 -1.590 3.925 1.00 0.00 N ATOM 1795 CA TRP A 115 -6.956 -2.283 3.067 1.00 0.00 C ATOM 1796 C TRP A 115 -6.233 -3.139 2.038 1.00 0.00 C ATOM 1797 O TRP A 115 -6.471 -4.343 1.944 1.00 0.00 O ATOM 1798 CB TRP A 115 -7.851 -1.274 2.370 1.00 0.00 C ATOM 1799 CG TRP A 115 -9.023 -0.893 3.204 1.00 0.00 C ATOM 1800 CD1 TRP A 115 -9.148 0.212 3.985 1.00 0.00 C ATOM 1801 CD2 TRP A 115 -10.226 -1.638 3.365 1.00 0.00 C ATOM 1802 NE1 TRP A 115 -10.368 0.219 4.601 1.00 0.00 N ATOM 1803 CE2 TRP A 115 -11.051 -0.909 4.236 1.00 0.00 C ATOM 1804 CE3 TRP A 115 -10.693 -2.846 2.850 1.00 0.00 C ATOM 1805 CZ2 TRP A 115 -12.313 -1.351 4.601 1.00 0.00 C ATOM 1806 CZ3 TRP A 115 -11.947 -3.278 3.223 1.00 0.00 C ATOM 1807 CH2 TRP A 115 -12.740 -2.537 4.082 1.00 0.00 C ATOM 0 H TRP A 115 -6.091 -0.574 3.910 1.00 0.00 H new ATOM 0 HA TRP A 115 -7.567 -2.939 3.687 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -7.272 -0.382 2.130 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -8.200 -1.691 1.425 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -8.392 0.975 4.102 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -10.712 0.945 5.229 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -10.086 -3.430 2.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.935 -0.777 5.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -12.319 -4.215 2.837 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.719 -2.907 4.347 1.00 0.00 H new ATOM 1818 N VAL A 116 -5.336 -2.521 1.274 1.00 0.00 N ATOM 1819 CA VAL A 116 -4.580 -3.249 0.266 1.00 0.00 C ATOM 1820 C VAL A 116 -3.864 -4.435 0.909 1.00 0.00 C ATOM 1821 O VAL A 116 -3.756 -5.510 0.313 1.00 0.00 O ATOM 1822 CB VAL A 116 -3.561 -2.332 -0.446 1.00 0.00 C ATOM 1823 CG1 VAL A 116 -2.617 -3.139 -1.329 1.00 0.00 C ATOM 1824 CG2 VAL A 116 -4.285 -1.273 -1.265 1.00 0.00 C ATOM 0 H VAL A 116 -5.118 -1.526 1.334 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.281 -3.614 -0.485 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.962 -1.835 0.317 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.911 -2.467 -1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.071 -3.857 -0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.193 -3.672 -2.086 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -3.554 -0.634 -1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.911 -1.758 -2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.909 -0.668 -0.607 1.00 0.00 H new ATOM 1834 N GLN A 117 -3.402 -4.240 2.142 1.00 0.00 N ATOM 1835 CA GLN A 117 -2.723 -5.300 2.873 1.00 0.00 C ATOM 1836 C GLN A 117 -3.739 -6.285 3.442 1.00 0.00 C ATOM 1837 O GLN A 117 -3.442 -7.464 3.619 1.00 0.00 O ATOM 1838 CB GLN A 117 -1.870 -4.712 3.999 1.00 0.00 C ATOM 1839 CG GLN A 117 -0.417 -4.492 3.609 1.00 0.00 C ATOM 1840 CD GLN A 117 0.322 -3.598 4.586 1.00 0.00 C ATOM 1841 OE1 GLN A 117 1.257 -4.034 5.257 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -0.097 -2.340 4.672 1.00 0.00 N ATOM 0 H GLN A 117 -3.486 -3.361 2.652 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.068 -5.831 2.182 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -2.302 -3.761 4.312 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -1.910 -5.379 4.860 1.00 0.00 H new ATOM 0 HG2 GLN A 117 0.089 -5.456 3.550 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -0.375 -4.049 2.614 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -0.876 -2.022 4.096 1.00 0.00 H new ATOM 0 HE22 GLN A 117 0.361 -1.693 5.314 1.00 0.00 H new ATOM 1851 N ALA A 118 -4.947 -5.791 3.715 1.00 0.00 N ATOM 1852 CA ALA A 118 -6.008 -6.629 4.250 1.00 0.00 C ATOM 1853 C ALA A 118 -6.458 -7.639 3.208 1.00 0.00 C ATOM 1854 O ALA A 118 -6.505 -8.841 3.468 1.00 0.00 O ATOM 1855 CB ALA A 118 -7.181 -5.773 4.702 1.00 0.00 C ATOM 0 H ALA A 118 -5.210 -4.816 3.573 1.00 0.00 H new ATOM 0 HA ALA A 118 -5.622 -7.171 5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -7.967 -6.414 5.100 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.850 -5.082 5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -7.568 -5.209 3.853 1.00 0.00 H new ATOM 1861 N ILE A 119 -6.774 -7.140 2.023 1.00 0.00 N ATOM 1862 CA ILE A 119 -7.207 -7.995 0.928 1.00 0.00 C ATOM 1863 C ILE A 119 -6.103 -8.981 0.562 1.00 0.00 C ATOM 1864 O ILE A 119 -6.355 -10.176 0.404 1.00 0.00 O ATOM 1865 CB ILE A 119 -7.610 -7.163 -0.311 1.00 0.00 C ATOM 1866 CG1 ILE A 119 -8.924 -6.421 -0.043 1.00 0.00 C ATOM 1867 CG2 ILE A 119 -7.744 -8.049 -1.544 1.00 0.00 C ATOM 1868 CD1 ILE A 119 -8.748 -5.119 0.706 1.00 0.00 C ATOM 0 H ILE A 119 -6.739 -6.147 1.795 1.00 0.00 H new ATOM 0 HA ILE A 119 -8.085 -8.548 1.262 1.00 0.00 H new ATOM 0 HB ILE A 119 -6.824 -6.433 -0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -9.417 -6.219 -0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -9.588 -7.071 0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -8.028 -7.439 -2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -6.791 -8.538 -1.746 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -8.509 -8.805 -1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -9.721 -4.652 0.858 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -8.285 -5.315 1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -8.111 -4.450 0.128 1.00 0.00 H new ATOM 1880 N GLU A 120 -4.875 -8.482 0.443 1.00 0.00 N ATOM 1881 CA GLU A 120 -3.742 -9.336 0.112 1.00 0.00 C ATOM 1882 C GLU A 120 -3.458 -10.307 1.255 1.00 0.00 C ATOM 1883 O GLU A 120 -3.025 -11.437 1.033 1.00 0.00 O ATOM 1884 CB GLU A 120 -2.502 -8.488 -0.182 1.00 0.00 C ATOM 1885 CG GLU A 120 -2.156 -8.410 -1.660 1.00 0.00 C ATOM 1886 CD GLU A 120 -0.793 -8.993 -1.976 1.00 0.00 C ATOM 1887 OE1 GLU A 120 -0.508 -10.119 -1.512 1.00 0.00 O ATOM 1888 OE2 GLU A 120 -0.011 -8.327 -2.684 1.00 0.00 O ATOM 0 H GLU A 120 -4.642 -7.497 0.570 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.991 -9.910 -0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.663 -7.479 0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.652 -8.902 0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -2.915 -8.941 -2.235 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.184 -7.369 -1.980 1.00 0.00 H new ATOM 1895 N SER A 121 -3.714 -9.855 2.481 1.00 0.00 N ATOM 1896 CA SER A 121 -3.493 -10.682 3.662 1.00 0.00 C ATOM 1897 C SER A 121 -4.513 -11.812 3.729 1.00 0.00 C ATOM 1898 O SER A 121 -4.164 -12.963 3.994 1.00 0.00 O ATOM 1899 CB SER A 121 -3.572 -9.833 4.932 1.00 0.00 C ATOM 1900 OG SER A 121 -3.515 -10.646 6.093 1.00 0.00 O ATOM 0 H SER A 121 -4.074 -8.922 2.681 1.00 0.00 H new ATOM 0 HA SER A 121 -2.496 -11.117 3.588 1.00 0.00 H new ATOM 0 HB2 SER A 121 -2.751 -9.116 4.946 1.00 0.00 H new ATOM 0 HB3 SER A 121 -4.498 -9.258 4.932 1.00 0.00 H new ATOM 0 HG SER A 121 -3.566 -10.080 6.891 1.00 0.00 H new ATOM 1906 N GLN A 122 -5.773 -11.477 3.483 1.00 0.00 N ATOM 1907 CA GLN A 122 -6.843 -12.467 3.511 1.00 0.00 C ATOM 1908 C GLN A 122 -6.638 -13.503 2.413 1.00 0.00 C ATOM 1909 O GLN A 122 -7.006 -14.669 2.566 1.00 0.00 O ATOM 1910 CB GLN A 122 -8.205 -11.786 3.346 1.00 0.00 C ATOM 1911 CG GLN A 122 -8.985 -11.670 4.645 1.00 0.00 C ATOM 1912 CD GLN A 122 -8.248 -10.863 5.697 1.00 0.00 C ATOM 1913 OE1 GLN A 122 -8.004 -9.593 5.402 1.00 0.00 O flip ATOM 1914 NE2 GLN A 122 -7.903 -11.377 6.760 1.00 0.00 N flip ATOM 0 H GLN A 122 -6.079 -10.529 3.262 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.819 -12.972 4.477 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -8.056 -10.789 2.930 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -8.798 -12.347 2.624 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -9.950 -11.204 4.445 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -9.187 -12.668 5.034 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -8.112 -12.358 6.944 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -7.408 -10.822 7.458 1.00 0.00 H new ATOM 1923 N ILE A 123 -6.044 -13.070 1.306 1.00 0.00 N ATOM 1924 CA ILE A 123 -5.783 -13.957 0.182 1.00 0.00 C ATOM 1925 C ILE A 123 -4.634 -14.909 0.495 1.00 0.00 C ATOM 1926 O ILE A 123 -4.649 -16.071 0.090 1.00 0.00 O ATOM 1927 CB ILE A 123 -5.461 -13.154 -1.098 1.00 0.00 C ATOM 1928 CG1 ILE A 123 -6.660 -12.292 -1.498 1.00 0.00 C ATOM 1929 CG2 ILE A 123 -5.077 -14.086 -2.239 1.00 0.00 C ATOM 1930 CD1 ILE A 123 -6.284 -11.067 -2.300 1.00 0.00 C ATOM 0 H ILE A 123 -5.734 -12.108 1.165 1.00 0.00 H new ATOM 0 HA ILE A 123 -6.688 -14.540 0.010 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.613 -12.502 -0.889 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -7.354 -12.898 -2.080 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -7.188 -11.978 -0.597 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.855 -13.498 -3.130 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.197 -14.664 -1.956 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -5.904 -14.764 -2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -7.184 -10.504 -2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -5.614 -10.439 -1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -5.783 -11.373 -3.218 1.00 0.00 H new ATOM 1942 N LEU A 124 -3.642 -14.411 1.223 1.00 0.00 N ATOM 1943 CA LEU A 124 -2.489 -15.223 1.596 1.00 0.00 C ATOM 1944 C LEU A 124 -2.891 -16.304 2.594 1.00 0.00 C ATOM 1945 O LEU A 124 -2.380 -17.423 2.554 1.00 0.00 O ATOM 1946 CB LEU A 124 -1.386 -14.342 2.190 1.00 0.00 C ATOM 1947 CG LEU A 124 -0.119 -14.232 1.340 1.00 0.00 C ATOM 1948 CD1 LEU A 124 -0.437 -13.626 -0.018 1.00 0.00 C ATOM 1949 CD2 LEU A 124 0.936 -13.406 2.061 1.00 0.00 C ATOM 0 H LEU A 124 -3.612 -13.451 1.566 1.00 0.00 H new ATOM 0 HA LEU A 124 -2.107 -15.707 0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.787 -13.341 2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.115 -14.736 3.170 1.00 0.00 H new ATOM 0 HG LEU A 124 0.278 -15.235 1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 124 0.477 -13.556 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -1.157 -14.257 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.859 -12.630 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.831 -13.338 1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.548 -12.405 2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 124 1.186 -13.883 3.009 1.00 0.00 H new ATOM 1961 N ALA A 125 -3.815 -15.963 3.487 1.00 0.00 N ATOM 1962 CA ALA A 125 -4.290 -16.903 4.495 1.00 0.00 C ATOM 1963 C ALA A 125 -5.253 -17.916 3.888 1.00 0.00 C ATOM 1964 O ALA A 125 -5.327 -19.062 4.331 1.00 0.00 O ATOM 1965 CB ALA A 125 -4.957 -16.156 5.640 1.00 0.00 C ATOM 0 H ALA A 125 -4.250 -15.041 3.533 1.00 0.00 H new ATOM 0 HA ALA A 125 -3.430 -17.447 4.884 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -5.307 -16.870 6.385 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.239 -15.476 6.098 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.804 -15.586 5.258 1.00 0.00 H new ATOM 1971 N SER A 126 -5.990 -17.486 2.869 1.00 0.00 N ATOM 1972 CA SER A 126 -6.950 -18.355 2.199 1.00 0.00 C ATOM 1973 C SER A 126 -6.245 -19.307 1.237 1.00 0.00 C ATOM 1974 O SER A 126 -6.722 -20.413 0.983 1.00 0.00 O ATOM 1975 CB SER A 126 -7.984 -17.522 1.440 1.00 0.00 C ATOM 1976 OG SER A 126 -9.268 -18.117 1.504 1.00 0.00 O ATOM 0 H SER A 126 -5.941 -16.541 2.489 1.00 0.00 H new ATOM 0 HA SER A 126 -7.458 -18.946 2.961 1.00 0.00 H new ATOM 0 HB2 SER A 126 -8.025 -16.517 1.860 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.679 -17.420 0.399 1.00 0.00 H new ATOM 0 HG SER A 126 -9.910 -17.563 1.012 1.00 0.00 H new