USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 857 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 1 MET CE :methyl -95:sc= -0.171 (180deg=-1.09) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 22:sc= 0.405 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 19:sc= 0.331 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.0136 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -86:sc= -1.66! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -2.02 K(o=-2,f=-3.6) USER MOD Single : A 29 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 32 SER OG : rot -89:sc= 0.474 USER MOD Single : A 34 CYS SG : rot -115:sc= -2.99! USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -9.86! C(o=-9.9!,f=-11!) USER MOD Single : A 44 HIS : no HD1:sc= -0.254 K(o=-0.25,f=-1) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.163 USER MOD Single : A 53 GLN : amide:sc= -2.14! C(o=-2.1!,f=-3.9!) USER MOD Single : A 54 SER OG : rot -121:sc= 0.147 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -165:sc= -0.198 (180deg=-0.35) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 38:sc= 0.378 USER MOD Single : A 78 MET CE :methyl -128:sc= -2.17! (180deg=-2.63!) USER MOD Single : A 80 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-2.1) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 HIS :FLIP no HD1:sc= -3.47 F(o=-4.8!,f=-3.5) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -128:sc= -2.66! (180deg=-4.18!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= -2.32 K(o=-2.3,f=-4.1!) USER MOD Single : A 100 SER OG : rot 180:sc= -0.0133 USER MOD Single : A 103 ASN : amide:sc= -0.0753 K(o=-0.075,f=-0.6) USER MOD Single : A 104 SER OG : rot 38:sc= 0.372 USER MOD Single : A 106 SER OG : rot 145:sc= -0.515 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 13.148 23.698 -17.871 1.00 0.00 N ATOM 2 CA GLY A -6 12.369 22.685 -17.183 1.00 0.00 C ATOM 3 C GLY A -6 13.239 21.678 -16.458 1.00 0.00 C ATOM 4 O GLY A -6 13.172 21.555 -15.235 1.00 0.00 O ATOM 0 H1 GLY A -6 12.507 24.362 -18.351 1.00 0.00 H new ATOM 0 H2 GLY A -6 13.730 24.215 -17.182 1.00 0.00 H new ATOM 0 H3 GLY A -6 13.765 23.243 -18.574 1.00 0.00 H new ATOM 0 HA2 GLY A -6 11.703 23.167 -16.467 1.00 0.00 H new ATOM 0 HA3 GLY A -6 11.739 22.164 -17.904 1.00 0.00 H new ATOM 8 N SER A -5 14.058 20.953 -17.214 1.00 0.00 N ATOM 9 CA SER A -5 14.941 19.946 -16.636 1.00 0.00 C ATOM 10 C SER A -5 16.398 20.245 -16.973 1.00 0.00 C ATOM 11 O SER A -5 16.758 20.402 -18.139 1.00 0.00 O ATOM 12 CB SER A -5 14.563 18.554 -17.145 1.00 0.00 C ATOM 13 OG SER A -5 14.795 18.440 -18.539 1.00 0.00 O ATOM 0 H SER A -5 14.128 21.044 -18.227 1.00 0.00 H new ATOM 0 HA SER A -5 14.824 19.973 -15.553 1.00 0.00 H new ATOM 0 HB2 SER A -5 15.143 17.799 -16.614 1.00 0.00 H new ATOM 0 HB3 SER A -5 13.512 18.358 -16.931 1.00 0.00 H new ATOM 0 HG SER A -5 15.415 19.143 -18.826 1.00 0.00 H new ATOM 19 N SER A -4 17.233 20.323 -15.941 1.00 0.00 N ATOM 20 CA SER A -4 18.652 20.607 -16.126 1.00 0.00 C ATOM 21 C SER A -4 19.423 20.389 -14.827 1.00 0.00 C ATOM 22 O SER A -4 19.149 21.031 -13.814 1.00 0.00 O ATOM 23 CB SER A -4 18.847 22.044 -16.613 1.00 0.00 C ATOM 24 OG SER A -4 20.088 22.192 -17.280 1.00 0.00 O ATOM 0 H SER A -4 16.952 20.194 -14.969 1.00 0.00 H new ATOM 0 HA SER A -4 19.040 19.920 -16.878 1.00 0.00 H new ATOM 0 HB2 SER A -4 18.034 22.317 -17.286 1.00 0.00 H new ATOM 0 HB3 SER A -4 18.802 22.728 -15.765 1.00 0.00 H new ATOM 0 HG SER A -4 20.188 23.119 -17.583 1.00 0.00 H new ATOM 30 N GLY A -3 20.389 19.476 -14.866 1.00 0.00 N ATOM 31 CA GLY A -3 21.185 19.188 -13.687 1.00 0.00 C ATOM 32 C GLY A -3 20.805 17.872 -13.038 1.00 0.00 C ATOM 33 O GLY A -3 20.801 16.829 -13.691 1.00 0.00 O ATOM 0 H GLY A -3 20.634 18.931 -15.693 1.00 0.00 H new ATOM 0 HA2 GLY A -3 22.240 19.163 -13.962 1.00 0.00 H new ATOM 0 HA3 GLY A -3 21.063 19.995 -12.964 1.00 0.00 H new ATOM 37 N SER A -2 20.487 17.921 -11.748 1.00 0.00 N ATOM 38 CA SER A -2 20.109 16.722 -11.009 1.00 0.00 C ATOM 39 C SER A -2 18.604 16.689 -10.760 1.00 0.00 C ATOM 40 O SER A -2 18.152 16.363 -9.662 1.00 0.00 O ATOM 41 CB SER A -2 20.859 16.661 -9.677 1.00 0.00 C ATOM 42 OG SER A -2 22.256 16.539 -9.883 1.00 0.00 O ATOM 0 H SER A -2 20.484 18.777 -11.194 1.00 0.00 H new ATOM 0 HA SER A -2 20.379 15.854 -11.610 1.00 0.00 H new ATOM 0 HB2 SER A -2 20.651 17.560 -9.097 1.00 0.00 H new ATOM 0 HB3 SER A -2 20.499 15.815 -9.092 1.00 0.00 H new ATOM 0 HG SER A -2 22.713 16.504 -9.017 1.00 0.00 H new ATOM 48 N SER A -1 17.833 17.029 -11.788 1.00 0.00 N ATOM 49 CA SER A -1 16.379 17.043 -11.681 1.00 0.00 C ATOM 50 C SER A -1 15.843 15.644 -11.389 1.00 0.00 C ATOM 51 O SER A -1 16.136 14.691 -12.109 1.00 0.00 O ATOM 52 CB SER A -1 15.757 17.580 -12.971 1.00 0.00 C ATOM 53 OG SER A -1 16.059 16.740 -14.072 1.00 0.00 O ATOM 0 H SER A -1 18.191 17.298 -12.704 1.00 0.00 H new ATOM 0 HA SER A -1 16.106 17.699 -10.854 1.00 0.00 H new ATOM 0 HB2 SER A -1 14.676 17.655 -12.853 1.00 0.00 H new ATOM 0 HB3 SER A -1 16.127 18.587 -13.165 1.00 0.00 H new ATOM 0 HG SER A -1 16.286 15.844 -13.747 1.00 0.00 H new ATOM 59 N GLY A 0 15.054 15.531 -10.324 1.00 0.00 N ATOM 60 CA GLY A 0 14.489 14.246 -9.954 1.00 0.00 C ATOM 61 C GLY A 0 12.999 14.169 -10.223 1.00 0.00 C ATOM 62 O GLY A 0 12.572 13.596 -11.225 1.00 0.00 O ATOM 0 H GLY A 0 14.796 16.305 -9.712 1.00 0.00 H new ATOM 0 HA2 GLY A 0 14.996 13.456 -10.508 1.00 0.00 H new ATOM 0 HA3 GLY A 0 14.674 14.062 -8.896 1.00 0.00 H new ATOM 66 N MET A 1 12.206 14.746 -9.326 1.00 0.00 N ATOM 67 CA MET A 1 10.755 14.739 -9.472 1.00 0.00 C ATOM 68 C MET A 1 10.225 16.152 -9.696 1.00 0.00 C ATOM 69 O MET A 1 10.874 17.133 -9.335 1.00 0.00 O ATOM 70 CB MET A 1 10.100 14.125 -8.234 1.00 0.00 C ATOM 71 CG MET A 1 10.212 12.611 -8.174 1.00 0.00 C ATOM 72 SD MET A 1 9.292 11.794 -9.493 1.00 0.00 S ATOM 73 CE MET A 1 10.627 11.046 -10.424 1.00 0.00 C ATOM 0 H MET A 1 12.544 15.224 -8.491 1.00 0.00 H new ATOM 0 HA MET A 1 10.505 14.134 -10.343 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.559 14.551 -7.342 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.047 14.404 -8.214 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.262 12.325 -8.238 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.844 12.261 -7.209 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.912 11.704 -11.245 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.485 10.890 -9.769 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.298 10.087 -10.825 1.00 0.00 H new ATOM 83 N MET A 2 9.041 16.247 -10.293 1.00 0.00 N ATOM 84 CA MET A 2 8.424 17.540 -10.563 1.00 0.00 C ATOM 85 C MET A 2 8.086 18.264 -9.263 1.00 0.00 C ATOM 86 O MET A 2 8.202 19.487 -9.173 1.00 0.00 O ATOM 87 CB MET A 2 7.158 17.360 -11.403 1.00 0.00 C ATOM 88 CG MET A 2 6.131 16.440 -10.764 1.00 0.00 C ATOM 89 SD MET A 2 4.555 16.444 -11.640 1.00 0.00 S ATOM 90 CE MET A 2 3.470 17.114 -10.381 1.00 0.00 C ATOM 0 H MET A 2 8.490 15.445 -10.599 1.00 0.00 H new ATOM 0 HA MET A 2 9.139 18.145 -11.120 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.703 18.336 -11.574 1.00 0.00 H new ATOM 0 HB3 MET A 2 7.433 16.961 -12.379 1.00 0.00 H new ATOM 0 HG2 MET A 2 6.525 15.424 -10.738 1.00 0.00 H new ATOM 0 HG3 MET A 2 5.969 16.745 -9.730 1.00 0.00 H new ATOM 0 HE1 MET A 2 2.455 17.179 -10.772 1.00 0.00 H new ATOM 0 HE2 MET A 2 3.481 16.463 -9.507 1.00 0.00 H new ATOM 0 HE3 MET A 2 3.813 18.109 -10.097 1.00 0.00 H new ATOM 100 N LEU A 3 7.668 17.502 -8.258 1.00 0.00 N ATOM 101 CA LEU A 3 7.313 18.070 -6.963 1.00 0.00 C ATOM 102 C LEU A 3 8.417 17.823 -5.939 1.00 0.00 C ATOM 103 O LEU A 3 8.543 16.724 -5.401 1.00 0.00 O ATOM 104 CB LEU A 3 5.996 17.472 -6.465 1.00 0.00 C ATOM 105 CG LEU A 3 5.639 17.758 -5.005 1.00 0.00 C ATOM 106 CD1 LEU A 3 5.192 19.201 -4.837 1.00 0.00 C ATOM 107 CD2 LEU A 3 4.556 16.803 -4.525 1.00 0.00 C ATOM 0 H LEU A 3 7.567 16.489 -8.316 1.00 0.00 H new ATOM 0 HA LEU A 3 7.192 19.146 -7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.189 17.845 -7.095 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.035 16.392 -6.604 1.00 0.00 H new ATOM 0 HG LEU A 3 6.530 17.603 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.942 19.385 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.998 19.869 -5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.315 19.385 -5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.314 17.020 -3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.664 16.927 -5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.913 15.777 -4.608 1.00 0.00 H new ATOM 119 N GLY A 4 9.213 18.855 -5.673 1.00 0.00 N ATOM 120 CA GLY A 4 10.294 18.729 -4.713 1.00 0.00 C ATOM 121 C GLY A 4 11.544 18.129 -5.323 1.00 0.00 C ATOM 122 O GLY A 4 11.751 16.915 -5.301 1.00 0.00 O ATOM 0 H GLY A 4 9.128 19.775 -6.105 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.529 19.712 -4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.965 18.107 -3.880 1.00 0.00 H new ATOM 126 N PRO A 5 12.406 18.990 -5.885 1.00 0.00 N ATOM 127 CA PRO A 5 13.657 18.560 -6.516 1.00 0.00 C ATOM 128 C PRO A 5 14.675 18.054 -5.499 1.00 0.00 C ATOM 129 O PRO A 5 15.799 17.703 -5.856 1.00 0.00 O ATOM 130 CB PRO A 5 14.168 19.834 -7.195 1.00 0.00 C ATOM 131 CG PRO A 5 13.565 20.949 -6.412 1.00 0.00 C ATOM 132 CD PRO A 5 12.224 20.450 -5.947 1.00 0.00 C ATOM 0 HA PRO A 5 13.502 17.727 -7.202 1.00 0.00 H new ATOM 0 HB2 PRO A 5 15.257 19.882 -7.178 1.00 0.00 H new ATOM 0 HB3 PRO A 5 13.863 19.875 -8.241 1.00 0.00 H new ATOM 0 HG2 PRO A 5 14.197 21.218 -5.565 1.00 0.00 H new ATOM 0 HG3 PRO A 5 13.457 21.843 -7.026 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.957 20.863 -4.974 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.430 20.727 -6.640 1.00 0.00 H new ATOM 140 N GLU A 6 14.272 18.019 -4.233 1.00 0.00 N ATOM 141 CA GLU A 6 15.151 17.556 -3.165 1.00 0.00 C ATOM 142 C GLU A 6 15.998 16.376 -3.632 1.00 0.00 C ATOM 143 O GLU A 6 17.203 16.328 -3.388 1.00 0.00 O ATOM 144 CB GLU A 6 14.330 17.155 -1.937 1.00 0.00 C ATOM 145 CG GLU A 6 13.573 18.311 -1.307 1.00 0.00 C ATOM 146 CD GLU A 6 12.317 17.862 -0.586 1.00 0.00 C ATOM 147 OE1 GLU A 6 12.429 17.045 0.351 1.00 0.00 O ATOM 148 OE2 GLU A 6 11.220 18.330 -0.960 1.00 0.00 O ATOM 0 H GLU A 6 13.344 18.305 -3.922 1.00 0.00 H new ATOM 0 HA GLU A 6 15.817 18.375 -2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.620 16.379 -2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.996 16.719 -1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.226 18.828 -0.604 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.306 19.030 -2.081 1.00 0.00 H new ATOM 155 N GLY A 7 15.358 15.424 -4.305 1.00 0.00 N ATOM 156 CA GLY A 7 16.068 14.257 -4.794 1.00 0.00 C ATOM 157 C GLY A 7 16.412 13.281 -3.687 1.00 0.00 C ATOM 158 O GLY A 7 17.541 12.800 -3.603 1.00 0.00 O ATOM 0 H GLY A 7 14.361 15.441 -4.520 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.458 13.752 -5.543 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.984 14.575 -5.291 1.00 0.00 H new ATOM 162 N GLY A 8 15.436 12.989 -2.833 1.00 0.00 N ATOM 163 CA GLY A 8 15.662 12.067 -1.735 1.00 0.00 C ATOM 164 C GLY A 8 14.703 10.893 -1.757 1.00 0.00 C ATOM 165 O GLY A 8 13.930 10.698 -0.820 1.00 0.00 O ATOM 0 H GLY A 8 14.493 13.374 -2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 8 16.686 11.697 -1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.558 12.600 -0.790 1.00 0.00 H new ATOM 169 N GLU A 9 14.752 10.110 -2.831 1.00 0.00 N ATOM 170 CA GLU A 9 13.879 8.951 -2.971 1.00 0.00 C ATOM 171 C GLU A 9 14.522 7.708 -2.362 1.00 0.00 C ATOM 172 O GLU A 9 15.642 7.761 -1.855 1.00 0.00 O ATOM 173 CB GLU A 9 13.559 8.702 -4.446 1.00 0.00 C ATOM 174 CG GLU A 9 14.787 8.435 -5.299 1.00 0.00 C ATOM 175 CD GLU A 9 14.464 7.661 -6.563 1.00 0.00 C ATOM 176 OE1 GLU A 9 14.137 6.461 -6.455 1.00 0.00 O ATOM 177 OE2 GLU A 9 14.537 8.255 -7.659 1.00 0.00 O ATOM 0 H GLU A 9 15.387 10.258 -3.616 1.00 0.00 H new ATOM 0 HA GLU A 9 12.953 9.159 -2.435 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.882 7.852 -4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.031 9.568 -4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.251 9.384 -5.567 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.517 7.877 -4.713 1.00 0.00 H new ATOM 184 N GLY A 10 13.804 6.591 -2.416 1.00 0.00 N ATOM 185 CA GLY A 10 14.319 5.351 -1.866 1.00 0.00 C ATOM 186 C GLY A 10 13.555 4.137 -2.356 1.00 0.00 C ATOM 187 O GLY A 10 12.490 4.268 -2.961 1.00 0.00 O ATOM 0 H GLY A 10 12.875 6.522 -2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.370 5.247 -2.134 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.270 5.392 -0.778 1.00 0.00 H new ATOM 191 N TYR A 11 14.099 2.953 -2.098 1.00 0.00 N ATOM 192 CA TYR A 11 13.464 1.711 -2.521 1.00 0.00 C ATOM 193 C TYR A 11 12.035 1.623 -1.995 1.00 0.00 C ATOM 194 O TYR A 11 11.803 1.644 -0.787 1.00 0.00 O ATOM 195 CB TYR A 11 14.273 0.508 -2.034 1.00 0.00 C ATOM 196 CG TYR A 11 15.740 0.578 -2.394 1.00 0.00 C ATOM 197 CD1 TYR A 11 16.153 0.520 -3.719 1.00 0.00 C ATOM 198 CD2 TYR A 11 16.712 0.702 -1.410 1.00 0.00 C ATOM 199 CE1 TYR A 11 17.492 0.584 -4.053 1.00 0.00 C ATOM 200 CE2 TYR A 11 18.053 0.768 -1.734 1.00 0.00 C ATOM 201 CZ TYR A 11 18.438 0.708 -3.057 1.00 0.00 C ATOM 202 OH TYR A 11 19.773 0.772 -3.385 1.00 0.00 O ATOM 0 H TYR A 11 14.979 2.827 -1.598 1.00 0.00 H new ATOM 0 HA TYR A 11 13.432 1.702 -3.611 1.00 0.00 H new ATOM 0 HB2 TYR A 11 14.177 0.431 -0.951 1.00 0.00 H new ATOM 0 HB3 TYR A 11 13.847 -0.401 -2.458 1.00 0.00 H new ATOM 0 HD1 TYR A 11 15.415 0.423 -4.501 1.00 0.00 H new ATOM 0 HD2 TYR A 11 16.414 0.748 -0.373 1.00 0.00 H new ATOM 0 HE1 TYR A 11 17.796 0.537 -5.088 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.796 0.866 -0.956 1.00 0.00 H new ATOM 0 HH TYR A 11 20.307 0.859 -2.568 1.00 0.00 H new ATOM 212 N VAL A 12 11.078 1.525 -2.913 1.00 0.00 N ATOM 213 CA VAL A 12 9.671 1.433 -2.544 1.00 0.00 C ATOM 214 C VAL A 12 8.887 0.616 -3.566 1.00 0.00 C ATOM 215 O VAL A 12 9.276 0.519 -4.730 1.00 0.00 O ATOM 216 CB VAL A 12 9.030 2.828 -2.419 1.00 0.00 C ATOM 217 CG1 VAL A 12 7.547 2.708 -2.104 1.00 0.00 C ATOM 218 CG2 VAL A 12 9.745 3.648 -1.356 1.00 0.00 C ATOM 0 H VAL A 12 11.252 1.507 -3.918 1.00 0.00 H new ATOM 0 HA VAL A 12 9.630 0.935 -1.575 1.00 0.00 H new ATOM 0 HB VAL A 12 9.133 3.344 -3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.111 3.704 -2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.048 2.160 -2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.417 2.174 -1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.280 4.631 -1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.675 3.138 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.794 3.763 -1.630 1.00 0.00 H new ATOM 228 N VAL A 13 7.780 0.029 -3.122 1.00 0.00 N ATOM 229 CA VAL A 13 6.940 -0.779 -3.998 1.00 0.00 C ATOM 230 C VAL A 13 5.462 -0.562 -3.695 1.00 0.00 C ATOM 231 O VAL A 13 5.062 -0.462 -2.534 1.00 0.00 O ATOM 232 CB VAL A 13 7.266 -2.279 -3.862 1.00 0.00 C ATOM 233 CG1 VAL A 13 8.639 -2.582 -4.442 1.00 0.00 C ATOM 234 CG2 VAL A 13 7.187 -2.710 -2.405 1.00 0.00 C ATOM 0 H VAL A 13 7.444 0.098 -2.161 1.00 0.00 H new ATOM 0 HA VAL A 13 7.149 -0.461 -5.019 1.00 0.00 H new ATOM 0 HB VAL A 13 6.526 -2.847 -4.427 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.852 -3.646 -4.337 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.656 -2.311 -5.498 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.395 -2.006 -3.908 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.420 -3.772 -2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.904 -2.137 -1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.181 -2.530 -2.026 1.00 0.00 H new ATOM 244 N LYS A 14 4.652 -0.491 -4.746 1.00 0.00 N ATOM 245 CA LYS A 14 3.216 -0.288 -4.594 1.00 0.00 C ATOM 246 C LYS A 14 2.452 -1.579 -4.867 1.00 0.00 C ATOM 247 O LYS A 14 2.643 -2.218 -5.902 1.00 0.00 O ATOM 248 CB LYS A 14 2.733 0.813 -5.541 1.00 0.00 C ATOM 249 CG LYS A 14 1.236 0.784 -5.795 1.00 0.00 C ATOM 250 CD LYS A 14 0.844 1.718 -6.928 1.00 0.00 C ATOM 251 CE LYS A 14 0.711 3.154 -6.445 1.00 0.00 C ATOM 252 NZ LYS A 14 0.083 4.029 -7.474 1.00 0.00 N ATOM 0 H LYS A 14 4.966 -0.571 -5.713 1.00 0.00 H new ATOM 0 HA LYS A 14 3.024 0.016 -3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.003 1.783 -5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.256 0.718 -6.492 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.927 -0.233 -6.037 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.706 1.070 -4.886 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.592 1.667 -7.719 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.101 1.390 -7.361 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.112 3.177 -5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.696 3.544 -6.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.010 4.999 -7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.667 4.027 -8.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.867 3.672 -7.700 1.00 0.00 H new ATOM 266 N LEU A 15 1.585 -1.956 -3.934 1.00 0.00 N ATOM 267 CA LEU A 15 0.790 -3.172 -4.075 1.00 0.00 C ATOM 268 C LEU A 15 -0.677 -2.836 -4.323 1.00 0.00 C ATOM 269 O LEU A 15 -1.340 -2.240 -3.474 1.00 0.00 O ATOM 270 CB LEU A 15 0.922 -4.039 -2.822 1.00 0.00 C ATOM 271 CG LEU A 15 2.332 -4.529 -2.490 1.00 0.00 C ATOM 272 CD1 LEU A 15 2.364 -5.168 -1.111 1.00 0.00 C ATOM 273 CD2 LEU A 15 2.819 -5.510 -3.547 1.00 0.00 C ATOM 0 H LEU A 15 1.414 -1.438 -3.072 1.00 0.00 H new ATOM 0 HA LEU A 15 1.167 -3.727 -4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.546 -3.471 -1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.274 -4.908 -2.936 1.00 0.00 H new ATOM 0 HG LEU A 15 3.003 -3.670 -2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.375 -5.511 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.059 -4.436 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.680 -6.017 -1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.824 -5.848 -3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.147 -6.367 -3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.836 -5.018 -4.520 1.00 0.00 H new ATOM 285 N ARG A 16 -1.179 -3.226 -5.491 1.00 0.00 N ATOM 286 CA ARG A 16 -2.568 -2.968 -5.850 1.00 0.00 C ATOM 287 C ARG A 16 -3.384 -4.256 -5.824 1.00 0.00 C ATOM 288 O ARG A 16 -2.849 -5.347 -6.021 1.00 0.00 O ATOM 289 CB ARG A 16 -2.647 -2.329 -7.238 1.00 0.00 C ATOM 290 CG ARG A 16 -3.934 -1.557 -7.479 1.00 0.00 C ATOM 291 CD ARG A 16 -3.750 -0.486 -8.543 1.00 0.00 C ATOM 292 NE ARG A 16 -4.035 -0.990 -9.883 1.00 0.00 N ATOM 293 CZ ARG A 16 -5.259 -1.075 -10.392 1.00 0.00 C ATOM 294 NH1 ARG A 16 -6.306 -0.689 -9.676 1.00 0.00 N ATOM 295 NH2 ARG A 16 -5.437 -1.545 -11.620 1.00 0.00 N ATOM 0 H ARG A 16 -0.644 -3.722 -6.204 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.986 -2.279 -5.116 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.799 -1.656 -7.368 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.554 -3.109 -7.994 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.721 -2.246 -7.787 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.262 -1.094 -6.548 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.406 0.357 -8.326 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.727 -0.111 -8.507 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.251 -1.294 -10.460 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.173 -0.326 -8.732 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.245 -0.755 -10.069 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.634 -1.841 -12.174 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.377 -1.610 -12.010 1.00 0.00 H new ATOM 309 N GLY A 17 -4.685 -4.122 -5.579 1.00 0.00 N ATOM 310 CA GLY A 17 -5.554 -5.283 -5.531 1.00 0.00 C ATOM 311 C GLY A 17 -5.590 -5.925 -4.159 1.00 0.00 C ATOM 312 O GLY A 17 -5.866 -7.118 -4.029 1.00 0.00 O ATOM 0 H GLY A 17 -5.152 -3.230 -5.413 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.564 -4.989 -5.818 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.216 -6.016 -6.263 1.00 0.00 H new ATOM 316 N LEU A 18 -5.308 -5.133 -3.130 1.00 0.00 N ATOM 317 CA LEU A 18 -5.307 -5.630 -1.759 1.00 0.00 C ATOM 318 C LEU A 18 -6.720 -5.644 -1.184 1.00 0.00 C ATOM 319 O LEU A 18 -7.573 -4.834 -1.548 1.00 0.00 O ATOM 320 CB LEU A 18 -4.396 -4.769 -0.883 1.00 0.00 C ATOM 321 CG LEU A 18 -2.903 -4.825 -1.208 1.00 0.00 C ATOM 322 CD1 LEU A 18 -2.173 -3.654 -0.571 1.00 0.00 C ATOM 323 CD2 LEU A 18 -2.306 -6.145 -0.742 1.00 0.00 C ATOM 0 H LEU A 18 -5.077 -4.144 -3.220 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.929 -6.652 -1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.725 -3.733 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.533 -5.071 0.155 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.783 -4.756 -2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.112 -3.711 -0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.583 -2.719 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.300 -3.691 0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.243 -6.168 -0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.438 -6.244 0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.809 -6.970 -1.246 1.00 0.00 H new ATOM 335 N PRO A 19 -6.975 -6.584 -0.262 1.00 0.00 N ATOM 336 CA PRO A 19 -8.282 -6.724 0.386 1.00 0.00 C ATOM 337 C PRO A 19 -8.585 -5.571 1.336 1.00 0.00 C ATOM 338 O PRO A 19 -7.685 -5.032 1.980 1.00 0.00 O ATOM 339 CB PRO A 19 -8.155 -8.038 1.162 1.00 0.00 C ATOM 340 CG PRO A 19 -6.694 -8.191 1.411 1.00 0.00 C ATOM 341 CD PRO A 19 -6.006 -7.583 0.220 1.00 0.00 C ATOM 0 HA PRO A 19 -9.098 -6.717 -0.337 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.714 -8.001 2.097 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.549 -8.877 0.588 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.400 -7.687 2.331 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.425 -9.241 1.523 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.058 -7.122 0.496 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.787 -8.331 -0.542 1.00 0.00 H new ATOM 349 N TRP A 20 -9.857 -5.198 1.420 1.00 0.00 N ATOM 350 CA TRP A 20 -10.278 -4.108 2.293 1.00 0.00 C ATOM 351 C TRP A 20 -9.885 -4.387 3.740 1.00 0.00 C ATOM 352 O TRP A 20 -9.910 -3.491 4.583 1.00 0.00 O ATOM 353 CB TRP A 20 -11.790 -3.902 2.193 1.00 0.00 C ATOM 354 CG TRP A 20 -12.209 -3.169 0.955 1.00 0.00 C ATOM 355 CD1 TRP A 20 -11.504 -3.058 -0.210 1.00 0.00 C ATOM 356 CD2 TRP A 20 -13.427 -2.443 0.759 1.00 0.00 C ATOM 357 NE1 TRP A 20 -12.211 -2.307 -1.118 1.00 0.00 N ATOM 358 CE2 TRP A 20 -13.395 -1.919 -0.548 1.00 0.00 C ATOM 359 CE3 TRP A 20 -14.543 -2.187 1.560 1.00 0.00 C ATOM 360 CZ2 TRP A 20 -14.435 -1.154 -1.069 1.00 0.00 C ATOM 361 CZ3 TRP A 20 -15.575 -1.427 1.042 1.00 0.00 C ATOM 362 CH2 TRP A 20 -15.515 -0.918 -0.263 1.00 0.00 C ATOM 0 H TRP A 20 -10.615 -5.634 0.894 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.772 -3.199 1.967 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -12.284 -4.873 2.216 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -12.133 -3.349 3.068 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.534 -3.496 -0.391 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -11.904 -2.076 -2.063 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -14.598 -2.576 2.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -14.391 -0.761 -2.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -16.442 -1.222 1.653 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -16.338 -0.328 -0.639 1.00 0.00 H new ATOM 373 N SER A 21 -9.523 -5.635 4.020 1.00 0.00 N ATOM 374 CA SER A 21 -9.128 -6.032 5.367 1.00 0.00 C ATOM 375 C SER A 21 -7.637 -6.351 5.424 1.00 0.00 C ATOM 376 O SER A 21 -7.175 -7.053 6.324 1.00 0.00 O ATOM 377 CB SER A 21 -9.939 -7.247 5.821 1.00 0.00 C ATOM 378 OG SER A 21 -10.108 -7.250 7.228 1.00 0.00 O ATOM 0 H SER A 21 -9.495 -6.388 3.333 1.00 0.00 H new ATOM 0 HA SER A 21 -9.329 -5.198 6.039 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.914 -7.240 5.334 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.434 -8.162 5.510 1.00 0.00 H new ATOM 0 HG SER A 21 -10.631 -8.035 7.493 1.00 0.00 H new ATOM 384 N CYS A 22 -6.890 -5.831 4.457 1.00 0.00 N ATOM 385 CA CYS A 22 -5.451 -6.060 4.395 1.00 0.00 C ATOM 386 C CYS A 22 -4.746 -5.417 5.585 1.00 0.00 C ATOM 387 O CYS A 22 -4.998 -4.258 5.916 1.00 0.00 O ATOM 388 CB CYS A 22 -4.880 -5.507 3.088 1.00 0.00 C ATOM 389 SG CYS A 22 -3.172 -6.000 2.761 1.00 0.00 S ATOM 0 H CYS A 22 -7.257 -5.248 3.705 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.278 -7.136 4.431 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.507 -5.839 2.261 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.934 -4.419 3.112 1.00 0.00 H new ATOM 0 HG CYS A 22 -2.361 -5.167 3.342 1.00 0.00 H new ATOM 395 N SER A 23 -3.864 -6.177 6.225 1.00 0.00 N ATOM 396 CA SER A 23 -3.126 -5.683 7.382 1.00 0.00 C ATOM 397 C SER A 23 -1.622 -5.766 7.144 1.00 0.00 C ATOM 398 O SER A 23 -1.149 -6.607 6.378 1.00 0.00 O ATOM 399 CB SER A 23 -3.501 -6.482 8.632 1.00 0.00 C ATOM 400 OG SER A 23 -4.806 -6.154 9.075 1.00 0.00 O ATOM 0 H SER A 23 -3.643 -7.137 5.962 1.00 0.00 H new ATOM 0 HA SER A 23 -3.395 -4.638 7.533 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.445 -7.549 8.416 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.782 -6.279 9.426 1.00 0.00 H new ATOM 0 HG SER A 23 -5.022 -6.679 9.874 1.00 0.00 H new ATOM 406 N ILE A 24 -0.875 -4.887 7.804 1.00 0.00 N ATOM 407 CA ILE A 24 0.576 -4.861 7.666 1.00 0.00 C ATOM 408 C ILE A 24 1.149 -6.273 7.620 1.00 0.00 C ATOM 409 O ILE A 24 2.055 -6.561 6.839 1.00 0.00 O ATOM 410 CB ILE A 24 1.238 -4.087 8.821 1.00 0.00 C ATOM 411 CG1 ILE A 24 0.838 -2.611 8.770 1.00 0.00 C ATOM 412 CG2 ILE A 24 2.751 -4.234 8.758 1.00 0.00 C ATOM 413 CD1 ILE A 24 1.220 -1.839 10.013 1.00 0.00 C ATOM 0 H ILE A 24 -1.251 -4.183 8.440 1.00 0.00 H new ATOM 0 HA ILE A 24 0.795 -4.352 6.727 1.00 0.00 H new ATOM 0 HB ILE A 24 0.891 -4.506 9.766 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.308 -2.145 7.904 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.240 -2.540 8.625 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.205 -3.681 9.581 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.018 -5.288 8.838 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.116 -3.838 7.810 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.906 -0.801 9.907 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.729 -2.280 10.880 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.301 -1.879 10.149 1.00 0.00 H new ATOM 425 N GLU A 25 0.613 -7.151 8.462 1.00 0.00 N ATOM 426 CA GLU A 25 1.071 -8.534 8.517 1.00 0.00 C ATOM 427 C GLU A 25 0.973 -9.195 7.145 1.00 0.00 C ATOM 428 O GLU A 25 1.946 -9.758 6.644 1.00 0.00 O ATOM 429 CB GLU A 25 0.251 -9.327 9.537 1.00 0.00 C ATOM 430 CG GLU A 25 0.836 -9.304 10.939 1.00 0.00 C ATOM 431 CD GLU A 25 0.150 -10.281 11.874 1.00 0.00 C ATOM 432 OE1 GLU A 25 -1.066 -10.121 12.110 1.00 0.00 O ATOM 433 OE2 GLU A 25 0.828 -11.205 12.369 1.00 0.00 O ATOM 0 H GLU A 25 -0.138 -6.929 9.115 1.00 0.00 H new ATOM 0 HA GLU A 25 2.116 -8.531 8.826 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.761 -8.924 9.568 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.173 -10.361 9.202 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.899 -9.540 10.889 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.752 -8.297 11.347 1.00 0.00 H new ATOM 440 N ASP A 26 -0.209 -9.122 6.544 1.00 0.00 N ATOM 441 CA ASP A 26 -0.436 -9.712 5.230 1.00 0.00 C ATOM 442 C ASP A 26 0.578 -9.190 4.217 1.00 0.00 C ATOM 443 O ASP A 26 1.011 -9.919 3.324 1.00 0.00 O ATOM 444 CB ASP A 26 -1.857 -9.409 4.749 1.00 0.00 C ATOM 445 CG ASP A 26 -2.890 -10.312 5.394 1.00 0.00 C ATOM 446 OD1 ASP A 26 -2.973 -10.324 6.641 1.00 0.00 O ATOM 447 OD2 ASP A 26 -3.618 -11.004 4.653 1.00 0.00 O ATOM 0 H ASP A 26 -1.025 -8.660 6.946 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.313 -10.791 5.318 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.099 -8.369 4.970 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.903 -9.524 3.666 1.00 0.00 H new ATOM 452 N VAL A 27 0.953 -7.923 4.362 1.00 0.00 N ATOM 453 CA VAL A 27 1.917 -7.303 3.461 1.00 0.00 C ATOM 454 C VAL A 27 3.328 -7.817 3.726 1.00 0.00 C ATOM 455 O VAL A 27 4.040 -8.207 2.802 1.00 0.00 O ATOM 456 CB VAL A 27 1.907 -5.769 3.597 1.00 0.00 C ATOM 457 CG1 VAL A 27 2.821 -5.135 2.560 1.00 0.00 C ATOM 458 CG2 VAL A 27 0.489 -5.233 3.471 1.00 0.00 C ATOM 0 H VAL A 27 0.604 -7.306 5.095 1.00 0.00 H new ATOM 0 HA VAL A 27 1.620 -7.572 2.447 1.00 0.00 H new ATOM 0 HB VAL A 27 2.283 -5.506 4.586 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.801 -4.051 2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.839 -5.496 2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.479 -5.403 1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.500 -4.148 3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.083 -5.505 2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.133 -5.662 4.256 1.00 0.00 H new ATOM 468 N GLN A 28 3.723 -7.815 4.995 1.00 0.00 N ATOM 469 CA GLN A 28 5.049 -8.281 5.382 1.00 0.00 C ATOM 470 C GLN A 28 5.298 -9.698 4.876 1.00 0.00 C ATOM 471 O GLN A 28 6.352 -9.991 4.314 1.00 0.00 O ATOM 472 CB GLN A 28 5.205 -8.236 6.903 1.00 0.00 C ATOM 473 CG GLN A 28 5.201 -6.827 7.473 1.00 0.00 C ATOM 474 CD GLN A 28 5.300 -6.809 8.986 1.00 0.00 C ATOM 475 OE1 GLN A 28 4.315 -7.045 9.687 1.00 0.00 O ATOM 476 NE2 GLN A 28 6.492 -6.528 9.498 1.00 0.00 N ATOM 0 H GLN A 28 3.144 -7.496 5.772 1.00 0.00 H new ATOM 0 HA GLN A 28 5.786 -7.618 4.928 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.396 -8.806 7.360 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.138 -8.728 7.179 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.035 -6.266 7.051 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.287 -6.318 7.166 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.281 -6.339 8.880 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.619 -6.501 10.510 1.00 0.00 H new ATOM 485 N ASN A 29 4.319 -10.574 5.080 1.00 0.00 N ATOM 486 CA ASN A 29 4.432 -11.961 4.644 1.00 0.00 C ATOM 487 C ASN A 29 4.436 -12.055 3.122 1.00 0.00 C ATOM 488 O ASN A 29 5.171 -12.854 2.540 1.00 0.00 O ATOM 489 CB ASN A 29 3.280 -12.792 5.214 1.00 0.00 C ATOM 490 CG ASN A 29 3.458 -13.090 6.691 1.00 0.00 C ATOM 491 OD1 ASN A 29 4.090 -14.079 7.063 1.00 0.00 O ATOM 492 ND2 ASN A 29 2.900 -12.235 7.539 1.00 0.00 N ATOM 0 H ASN A 29 3.439 -10.348 5.544 1.00 0.00 H new ATOM 0 HA ASN A 29 5.377 -12.357 5.017 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.342 -12.258 5.064 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.205 -13.730 4.663 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.986 -12.384 8.544 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.385 -11.429 7.185 1.00 0.00 H new ATOM 499 N PHE A 30 3.611 -11.234 2.481 1.00 0.00 N ATOM 500 CA PHE A 30 3.518 -11.224 1.026 1.00 0.00 C ATOM 501 C PHE A 30 4.887 -10.979 0.396 1.00 0.00 C ATOM 502 O PHE A 30 5.243 -11.604 -0.604 1.00 0.00 O ATOM 503 CB PHE A 30 2.532 -10.149 0.564 1.00 0.00 C ATOM 504 CG PHE A 30 2.332 -10.119 -0.925 1.00 0.00 C ATOM 505 CD1 PHE A 30 3.187 -9.392 -1.737 1.00 0.00 C ATOM 506 CD2 PHE A 30 1.290 -10.819 -1.511 1.00 0.00 C ATOM 507 CE1 PHE A 30 3.005 -9.363 -3.107 1.00 0.00 C ATOM 508 CE2 PHE A 30 1.103 -10.793 -2.880 1.00 0.00 C ATOM 509 CZ PHE A 30 1.962 -10.065 -3.679 1.00 0.00 C ATOM 0 H PHE A 30 2.997 -10.566 2.947 1.00 0.00 H new ATOM 0 HA PHE A 30 3.158 -12.201 0.703 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.570 -10.317 1.048 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.889 -9.174 0.894 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.005 -8.842 -1.295 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.616 -11.392 -0.891 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.678 -8.792 -3.730 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.286 -11.342 -3.324 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.819 -10.044 -4.749 1.00 0.00 H new ATOM 519 N LEU A 31 5.649 -10.066 0.987 1.00 0.00 N ATOM 520 CA LEU A 31 6.978 -9.738 0.485 1.00 0.00 C ATOM 521 C LEU A 31 8.061 -10.328 1.383 1.00 0.00 C ATOM 522 O LEU A 31 9.062 -9.675 1.677 1.00 0.00 O ATOM 523 CB LEU A 31 7.149 -8.220 0.391 1.00 0.00 C ATOM 524 CG LEU A 31 6.143 -7.485 -0.495 1.00 0.00 C ATOM 525 CD1 LEU A 31 6.424 -5.991 -0.495 1.00 0.00 C ATOM 526 CD2 LEU A 31 6.178 -8.036 -1.913 1.00 0.00 C ATOM 0 H LEU A 31 5.369 -9.540 1.815 1.00 0.00 H new ATOM 0 HA LEU A 31 7.081 -10.172 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.088 -7.805 1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.152 -8.010 0.019 1.00 0.00 H new ATOM 0 HG LEU A 31 5.144 -7.646 -0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.698 -5.484 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.347 -5.606 0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.429 -5.810 -0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.455 -7.501 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.177 -7.906 -2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.927 -9.097 -1.898 1.00 0.00 H new ATOM 538 N SER A 32 7.854 -11.569 1.813 1.00 0.00 N ATOM 539 CA SER A 32 8.812 -12.247 2.679 1.00 0.00 C ATOM 540 C SER A 32 10.172 -12.365 1.997 1.00 0.00 C ATOM 541 O SER A 32 11.187 -12.607 2.651 1.00 0.00 O ATOM 542 CB SER A 32 8.295 -13.637 3.055 1.00 0.00 C ATOM 543 OG SER A 32 7.670 -14.265 1.950 1.00 0.00 O ATOM 0 H SER A 32 7.032 -12.125 1.576 1.00 0.00 H new ATOM 0 HA SER A 32 8.930 -11.653 3.585 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.122 -14.253 3.407 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.586 -13.554 3.879 1.00 0.00 H new ATOM 0 HG SER A 32 6.720 -14.026 1.933 1.00 0.00 H new ATOM 549 N ASP A 33 10.183 -12.191 0.680 1.00 0.00 N ATOM 550 CA ASP A 33 11.418 -12.276 -0.091 1.00 0.00 C ATOM 551 C ASP A 33 12.195 -10.965 -0.020 1.00 0.00 C ATOM 552 O ASP A 33 13.402 -10.934 -0.263 1.00 0.00 O ATOM 553 CB ASP A 33 11.110 -12.623 -1.549 1.00 0.00 C ATOM 554 CG ASP A 33 9.861 -11.930 -2.057 1.00 0.00 C ATOM 555 OD1 ASP A 33 8.773 -12.186 -1.501 1.00 0.00 O ATOM 556 OD2 ASP A 33 9.972 -11.132 -3.012 1.00 0.00 O ATOM 0 H ASP A 33 9.351 -11.990 0.124 1.00 0.00 H new ATOM 0 HA ASP A 33 12.034 -13.065 0.341 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.958 -12.341 -2.173 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.988 -13.702 -1.645 1.00 0.00 H new ATOM 561 N CYS A 34 11.495 -9.886 0.313 1.00 0.00 N ATOM 562 CA CYS A 34 12.119 -8.572 0.414 1.00 0.00 C ATOM 563 C CYS A 34 12.305 -8.169 1.873 1.00 0.00 C ATOM 564 O CYS A 34 11.587 -8.640 2.756 1.00 0.00 O ATOM 565 CB CYS A 34 11.273 -7.525 -0.312 1.00 0.00 C ATOM 566 SG CYS A 34 10.936 -7.921 -2.044 1.00 0.00 S ATOM 0 H CYS A 34 10.496 -9.895 0.517 1.00 0.00 H new ATOM 0 HA CYS A 34 13.100 -8.626 -0.057 1.00 0.00 H new ATOM 0 HB2 CYS A 34 10.325 -7.410 0.214 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.783 -6.563 -0.263 1.00 0.00 H new ATOM 0 HG CYS A 34 11.498 -7.033 -2.809 1.00 0.00 H new ATOM 572 N THR A 35 13.276 -7.296 2.122 1.00 0.00 N ATOM 573 CA THR A 35 13.559 -6.832 3.474 1.00 0.00 C ATOM 574 C THR A 35 12.939 -5.462 3.727 1.00 0.00 C ATOM 575 O THR A 35 13.608 -4.436 3.605 1.00 0.00 O ATOM 576 CB THR A 35 15.075 -6.752 3.735 1.00 0.00 C ATOM 577 OG1 THR A 35 15.671 -8.043 3.561 1.00 0.00 O ATOM 578 CG2 THR A 35 15.357 -6.243 5.140 1.00 0.00 C ATOM 0 H THR A 35 13.880 -6.896 1.404 1.00 0.00 H new ATOM 0 HA THR A 35 13.118 -7.559 4.156 1.00 0.00 H new ATOM 0 HB THR A 35 15.508 -6.053 3.019 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.635 -7.983 3.727 1.00 0.00 H new ATOM 0 HG21 THR A 35 16.434 -6.195 5.300 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.928 -5.248 5.260 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.911 -6.920 5.869 1.00 0.00 H new ATOM 586 N ILE A 36 11.658 -5.454 4.079 1.00 0.00 N ATOM 587 CA ILE A 36 10.949 -4.210 4.350 1.00 0.00 C ATOM 588 C ILE A 36 11.682 -3.377 5.396 1.00 0.00 C ATOM 589 O ILE A 36 11.977 -3.855 6.492 1.00 0.00 O ATOM 590 CB ILE A 36 9.512 -4.476 4.837 1.00 0.00 C ATOM 591 CG1 ILE A 36 8.709 -5.200 3.754 1.00 0.00 C ATOM 592 CG2 ILE A 36 8.833 -3.170 5.222 1.00 0.00 C ATOM 593 CD1 ILE A 36 7.403 -5.776 4.253 1.00 0.00 C ATOM 0 H ILE A 36 11.090 -6.295 4.183 1.00 0.00 H new ATOM 0 HA ILE A 36 10.909 -3.658 3.411 1.00 0.00 H new ATOM 0 HB ILE A 36 9.556 -5.115 5.719 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.503 -4.505 2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.317 -6.004 3.339 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.818 -3.374 5.564 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.396 -2.689 6.022 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.798 -2.509 4.356 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.888 -6.274 3.432 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.603 -6.496 5.046 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.776 -4.973 4.641 1.00 0.00 H new ATOM 605 N HIS A 37 11.971 -2.126 5.052 1.00 0.00 N ATOM 606 CA HIS A 37 12.667 -1.224 5.962 1.00 0.00 C ATOM 607 C HIS A 37 11.786 -0.870 7.157 1.00 0.00 C ATOM 608 O HIS A 37 10.675 -0.365 6.993 1.00 0.00 O ATOM 609 CB HIS A 37 13.087 0.051 5.229 1.00 0.00 C ATOM 610 CG HIS A 37 13.364 1.204 6.143 1.00 0.00 C ATOM 611 ND1 HIS A 37 14.625 1.507 6.613 1.00 0.00 N ATOM 612 CD2 HIS A 37 12.534 2.133 6.673 1.00 0.00 C ATOM 613 CE1 HIS A 37 14.558 2.570 7.394 1.00 0.00 C ATOM 614 NE2 HIS A 37 13.300 2.970 7.447 1.00 0.00 N ATOM 0 H HIS A 37 11.734 -1.714 4.150 1.00 0.00 H new ATOM 0 HA HIS A 37 13.558 -1.734 6.328 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.980 -0.156 4.639 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.301 0.334 4.529 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.468 2.203 6.516 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.390 3.033 7.903 1.00 0.00 H new ATOM 0 HE2 HIS A 37 12.954 3.770 7.977 1.00 0.00 H new ATOM 623 N ASP A 38 12.288 -1.140 8.357 1.00 0.00 N ATOM 624 CA ASP A 38 11.547 -0.850 9.578 1.00 0.00 C ATOM 625 C ASP A 38 10.302 -1.726 9.680 1.00 0.00 C ATOM 626 O ASP A 38 9.328 -1.365 10.338 1.00 0.00 O ATOM 627 CB ASP A 38 11.151 0.627 9.622 1.00 0.00 C ATOM 628 CG ASP A 38 12.343 1.551 9.467 1.00 0.00 C ATOM 629 OD1 ASP A 38 13.433 1.058 9.109 1.00 0.00 O ATOM 630 OD2 ASP A 38 12.185 2.767 9.701 1.00 0.00 O ATOM 0 H ASP A 38 13.205 -1.559 8.510 1.00 0.00 H new ATOM 0 HA ASP A 38 12.195 -1.070 10.427 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.431 0.831 8.829 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.652 0.838 10.568 1.00 0.00 H new ATOM 635 N GLY A 39 10.342 -2.881 9.022 1.00 0.00 N ATOM 636 CA GLY A 39 9.212 -3.790 9.049 1.00 0.00 C ATOM 637 C GLY A 39 7.882 -3.063 9.037 1.00 0.00 C ATOM 638 O GLY A 39 7.648 -2.196 8.195 1.00 0.00 O ATOM 0 H GLY A 39 11.138 -3.203 8.471 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.266 -4.457 8.189 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.273 -4.414 9.940 1.00 0.00 H new ATOM 642 N VAL A 40 7.007 -3.417 9.972 1.00 0.00 N ATOM 643 CA VAL A 40 5.693 -2.792 10.065 1.00 0.00 C ATOM 644 C VAL A 40 5.795 -1.276 9.940 1.00 0.00 C ATOM 645 O VAL A 40 4.882 -0.622 9.436 1.00 0.00 O ATOM 646 CB VAL A 40 4.998 -3.140 11.396 1.00 0.00 C ATOM 647 CG1 VAL A 40 4.653 -4.621 11.446 1.00 0.00 C ATOM 648 CG2 VAL A 40 5.878 -2.748 12.573 1.00 0.00 C ATOM 0 H VAL A 40 7.184 -4.133 10.676 1.00 0.00 H new ATOM 0 HA VAL A 40 5.098 -3.183 9.240 1.00 0.00 H new ATOM 0 HB VAL A 40 4.069 -2.573 11.462 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.163 -4.849 12.393 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.983 -4.866 10.622 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.566 -5.210 11.359 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.373 -3.000 13.505 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.824 -3.287 12.516 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.069 -1.675 12.543 1.00 0.00 H new ATOM 658 N ALA A 41 6.912 -0.724 10.401 1.00 0.00 N ATOM 659 CA ALA A 41 7.136 0.715 10.338 1.00 0.00 C ATOM 660 C ALA A 41 7.641 1.133 8.961 1.00 0.00 C ATOM 661 O ALA A 41 8.262 2.184 8.809 1.00 0.00 O ATOM 662 CB ALA A 41 8.120 1.145 11.416 1.00 0.00 C ATOM 0 H ALA A 41 7.676 -1.252 10.822 1.00 0.00 H new ATOM 0 HA ALA A 41 6.182 1.213 10.513 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.277 2.222 11.356 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.719 0.891 12.397 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.070 0.631 11.268 1.00 0.00 H new ATOM 668 N GLY A 42 7.372 0.301 7.959 1.00 0.00 N ATOM 669 CA GLY A 42 7.808 0.601 6.608 1.00 0.00 C ATOM 670 C GLY A 42 6.686 0.477 5.596 1.00 0.00 C ATOM 671 O GLY A 42 6.797 0.967 4.472 1.00 0.00 O ATOM 0 H GLY A 42 6.860 -0.575 8.059 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.212 1.613 6.576 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.618 -0.074 6.332 1.00 0.00 H new ATOM 675 N VAL A 43 5.603 -0.183 5.993 1.00 0.00 N ATOM 676 CA VAL A 43 4.456 -0.371 5.112 1.00 0.00 C ATOM 677 C VAL A 43 3.482 0.797 5.221 1.00 0.00 C ATOM 678 O VAL A 43 3.060 1.167 6.317 1.00 0.00 O ATOM 679 CB VAL A 43 3.710 -1.679 5.434 1.00 0.00 C ATOM 680 CG1 VAL A 43 2.537 -1.872 4.486 1.00 0.00 C ATOM 681 CG2 VAL A 43 4.661 -2.865 5.368 1.00 0.00 C ATOM 0 H VAL A 43 5.496 -0.597 6.919 1.00 0.00 H new ATOM 0 HA VAL A 43 4.843 -0.423 4.095 1.00 0.00 H new ATOM 0 HB VAL A 43 3.318 -1.613 6.449 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.022 -2.801 4.729 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.845 -1.036 4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.902 -1.917 3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.117 -3.781 5.598 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.084 -2.937 4.366 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.464 -2.728 6.092 1.00 0.00 H new ATOM 691 N HIS A 44 3.129 1.374 4.077 1.00 0.00 N ATOM 692 CA HIS A 44 2.203 2.500 4.043 1.00 0.00 C ATOM 693 C HIS A 44 0.955 2.154 3.236 1.00 0.00 C ATOM 694 O HIS A 44 1.023 1.959 2.022 1.00 0.00 O ATOM 695 CB HIS A 44 2.885 3.731 3.446 1.00 0.00 C ATOM 696 CG HIS A 44 4.190 4.069 4.100 1.00 0.00 C ATOM 697 ND1 HIS A 44 4.301 4.972 5.136 1.00 0.00 N ATOM 698 CD2 HIS A 44 5.443 3.617 3.860 1.00 0.00 C ATOM 699 CE1 HIS A 44 5.567 5.062 5.504 1.00 0.00 C ATOM 700 NE2 HIS A 44 6.281 4.249 4.745 1.00 0.00 N ATOM 0 H HIS A 44 3.470 1.080 3.162 1.00 0.00 H new ATOM 0 HA HIS A 44 1.902 2.721 5.067 1.00 0.00 H new ATOM 0 HB2 HIS A 44 3.054 3.563 2.382 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.213 4.585 3.531 1.00 0.00 H new ATOM 0 HD2 HIS A 44 5.730 2.894 3.111 1.00 0.00 H new ATOM 0 HE1 HIS A 44 5.953 5.693 6.291 1.00 0.00 H new ATOM 0 HE2 HIS A 44 7.290 4.113 4.807 1.00 0.00 H new ATOM 709 N PHE A 45 -0.183 2.079 3.918 1.00 0.00 N ATOM 710 CA PHE A 45 -1.446 1.754 3.264 1.00 0.00 C ATOM 711 C PHE A 45 -2.074 2.999 2.647 1.00 0.00 C ATOM 712 O PHE A 45 -1.766 4.124 3.042 1.00 0.00 O ATOM 713 CB PHE A 45 -2.415 1.122 4.266 1.00 0.00 C ATOM 714 CG PHE A 45 -2.180 -0.345 4.484 1.00 0.00 C ATOM 715 CD1 PHE A 45 -2.647 -1.278 3.574 1.00 0.00 C ATOM 716 CD2 PHE A 45 -1.492 -0.791 5.601 1.00 0.00 C ATOM 717 CE1 PHE A 45 -2.432 -2.629 3.772 1.00 0.00 C ATOM 718 CE2 PHE A 45 -1.273 -2.140 5.804 1.00 0.00 C ATOM 719 CZ PHE A 45 -1.745 -3.061 4.889 1.00 0.00 C ATOM 0 H PHE A 45 -0.257 2.239 4.923 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.241 1.039 2.467 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.328 1.641 5.220 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.436 1.270 3.914 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.186 -0.946 2.699 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.123 -0.076 6.321 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.801 -3.346 3.054 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.733 -2.474 6.678 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.577 -4.116 5.047 1.00 0.00 H new ATOM 729 N ILE A 46 -2.956 2.790 1.675 1.00 0.00 N ATOM 730 CA ILE A 46 -3.629 3.895 1.003 1.00 0.00 C ATOM 731 C ILE A 46 -5.103 3.955 1.386 1.00 0.00 C ATOM 732 O ILE A 46 -5.755 2.924 1.555 1.00 0.00 O ATOM 733 CB ILE A 46 -3.512 3.777 -0.528 1.00 0.00 C ATOM 734 CG1 ILE A 46 -2.050 3.586 -0.937 1.00 0.00 C ATOM 735 CG2 ILE A 46 -4.100 5.009 -1.200 1.00 0.00 C ATOM 736 CD1 ILE A 46 -1.159 4.748 -0.555 1.00 0.00 C ATOM 0 H ILE A 46 -3.221 1.866 1.335 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.134 4.811 1.328 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.077 2.904 -0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.667 2.677 -0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.999 3.439 -2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.010 4.911 -2.282 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.152 5.103 -0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.560 5.896 -0.870 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.137 4.544 -0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.517 5.656 -1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.180 4.882 0.526 1.00 0.00 H new ATOM 748 N TYR A 47 -5.624 5.170 1.520 1.00 0.00 N ATOM 749 CA TYR A 47 -7.023 5.366 1.884 1.00 0.00 C ATOM 750 C TYR A 47 -7.731 6.254 0.866 1.00 0.00 C ATOM 751 O TYR A 47 -7.100 6.825 -0.024 1.00 0.00 O ATOM 752 CB TYR A 47 -7.127 5.986 3.278 1.00 0.00 C ATOM 753 CG TYR A 47 -6.584 5.100 4.377 1.00 0.00 C ATOM 754 CD1 TYR A 47 -5.233 5.115 4.704 1.00 0.00 C ATOM 755 CD2 TYR A 47 -7.420 4.248 5.087 1.00 0.00 C ATOM 756 CE1 TYR A 47 -4.732 4.307 5.706 1.00 0.00 C ATOM 757 CE2 TYR A 47 -6.928 3.438 6.092 1.00 0.00 C ATOM 758 CZ TYR A 47 -5.584 3.470 6.397 1.00 0.00 C ATOM 759 OH TYR A 47 -5.089 2.664 7.397 1.00 0.00 O ATOM 0 H TYR A 47 -5.099 6.034 1.382 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.511 4.391 1.890 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.587 6.933 3.286 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.172 6.213 3.489 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.564 5.770 4.165 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.473 4.218 4.849 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.680 4.330 5.947 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.593 2.783 6.636 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.819 2.137 7.784 1.00 0.00 H new ATOM 769 N THR A 48 -9.049 6.368 1.004 1.00 0.00 N ATOM 770 CA THR A 48 -9.845 7.185 0.098 1.00 0.00 C ATOM 771 C THR A 48 -10.395 8.417 0.808 1.00 0.00 C ATOM 772 O THR A 48 -10.069 8.674 1.967 1.00 0.00 O ATOM 773 CB THR A 48 -11.018 6.384 -0.498 1.00 0.00 C ATOM 774 OG1 THR A 48 -12.190 6.560 0.305 1.00 0.00 O ATOM 775 CG2 THR A 48 -10.674 4.905 -0.585 1.00 0.00 C ATOM 0 H THR A 48 -9.587 5.904 1.736 1.00 0.00 H new ATOM 0 HA THR A 48 -9.182 7.499 -0.708 1.00 0.00 H new ATOM 0 HB THR A 48 -11.209 6.756 -1.504 1.00 0.00 H new ATOM 0 HG1 THR A 48 -12.931 6.049 -0.082 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.517 4.360 -1.009 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.799 4.772 -1.221 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.459 4.522 0.413 1.00 0.00 H new ATOM 783 N ARG A 49 -11.230 9.175 0.106 1.00 0.00 N ATOM 784 CA ARG A 49 -11.825 10.381 0.670 1.00 0.00 C ATOM 785 C ARG A 49 -12.691 10.045 1.881 1.00 0.00 C ATOM 786 O ARG A 49 -12.764 10.816 2.837 1.00 0.00 O ATOM 787 CB ARG A 49 -12.664 11.104 -0.385 1.00 0.00 C ATOM 788 CG ARG A 49 -13.849 11.861 0.192 1.00 0.00 C ATOM 789 CD ARG A 49 -13.398 13.063 1.006 1.00 0.00 C ATOM 790 NE ARG A 49 -14.521 13.743 1.646 1.00 0.00 N ATOM 791 CZ ARG A 49 -14.464 14.991 2.098 1.00 0.00 C ATOM 792 NH1 ARG A 49 -13.345 15.691 1.981 1.00 0.00 N ATOM 793 NH2 ARG A 49 -15.529 15.540 2.669 1.00 0.00 N ATOM 0 H ARG A 49 -11.510 8.976 -0.854 1.00 0.00 H new ATOM 0 HA ARG A 49 -11.017 11.037 0.993 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.027 11.803 -0.927 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.027 10.375 -1.110 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -14.500 12.192 -0.617 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.437 11.193 0.822 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.688 12.739 1.768 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.872 13.763 0.357 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.397 13.232 1.752 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.525 15.272 1.543 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.304 16.649 2.329 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.392 15.004 2.761 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.485 16.498 3.016 1.00 0.00 H new ATOM 807 N GLU A 50 -13.345 8.888 1.831 1.00 0.00 N ATOM 808 CA GLU A 50 -14.207 8.452 2.924 1.00 0.00 C ATOM 809 C GLU A 50 -13.381 7.897 4.081 1.00 0.00 C ATOM 810 O GLU A 50 -13.728 8.076 5.247 1.00 0.00 O ATOM 811 CB GLU A 50 -15.193 7.390 2.432 1.00 0.00 C ATOM 812 CG GLU A 50 -16.224 7.923 1.452 1.00 0.00 C ATOM 813 CD GLU A 50 -17.487 8.405 2.139 1.00 0.00 C ATOM 814 OE1 GLU A 50 -17.374 9.093 3.175 1.00 0.00 O ATOM 815 OE2 GLU A 50 -18.589 8.094 1.639 1.00 0.00 O ATOM 0 H GLU A 50 -13.294 8.237 1.047 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.764 9.318 3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.636 6.582 1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -15.709 6.960 3.291 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.788 8.744 0.883 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -16.479 7.140 0.738 1.00 0.00 H new ATOM 822 N GLY A 51 -12.284 7.223 3.747 1.00 0.00 N ATOM 823 CA GLY A 51 -11.425 6.652 4.768 1.00 0.00 C ATOM 824 C GLY A 51 -11.388 5.138 4.715 1.00 0.00 C ATOM 825 O GLY A 51 -11.339 4.474 5.751 1.00 0.00 O ATOM 0 H GLY A 51 -11.975 7.062 2.788 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.414 7.041 4.647 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.774 6.970 5.751 1.00 0.00 H new ATOM 829 N ARG A 52 -11.414 4.589 3.504 1.00 0.00 N ATOM 830 CA ARG A 52 -11.386 3.143 3.320 1.00 0.00 C ATOM 831 C ARG A 52 -10.185 2.726 2.476 1.00 0.00 C ATOM 832 O ARG A 52 -9.699 3.496 1.648 1.00 0.00 O ATOM 833 CB ARG A 52 -12.679 2.668 2.656 1.00 0.00 C ATOM 834 CG ARG A 52 -12.686 2.836 1.145 1.00 0.00 C ATOM 835 CD ARG A 52 -13.742 1.958 0.492 1.00 0.00 C ATOM 836 NE ARG A 52 -13.652 1.987 -0.965 1.00 0.00 N ATOM 837 CZ ARG A 52 -12.785 1.263 -1.663 1.00 0.00 C ATOM 838 NH1 ARG A 52 -11.936 0.456 -1.040 1.00 0.00 N ATOM 839 NH2 ARG A 52 -12.764 1.344 -2.988 1.00 0.00 N ATOM 0 H ARG A 52 -11.454 5.124 2.636 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.297 2.678 4.302 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.836 1.617 2.897 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.518 3.220 3.078 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.874 3.880 0.895 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.704 2.584 0.745 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.628 0.932 0.842 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.733 2.292 0.801 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.291 2.597 -1.475 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.948 0.391 -0.022 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.271 -0.099 -1.579 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.415 1.963 -3.471 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.097 0.787 -3.522 1.00 0.00 H new ATOM 853 N GLN A 53 -9.711 1.503 2.694 1.00 0.00 N ATOM 854 CA GLN A 53 -8.567 0.985 1.954 1.00 0.00 C ATOM 855 C GLN A 53 -8.904 0.817 0.476 1.00 0.00 C ATOM 856 O GLN A 53 -9.520 -0.172 0.078 1.00 0.00 O ATOM 857 CB GLN A 53 -8.117 -0.354 2.541 1.00 0.00 C ATOM 858 CG GLN A 53 -7.209 -0.212 3.753 1.00 0.00 C ATOM 859 CD GLN A 53 -6.312 -1.417 3.953 1.00 0.00 C ATOM 860 OE1 GLN A 53 -5.247 -1.521 3.343 1.00 0.00 O ATOM 861 NE2 GLN A 53 -6.737 -2.336 4.812 1.00 0.00 N ATOM 0 H GLN A 53 -10.102 0.853 3.377 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.754 1.705 2.043 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.997 -0.932 2.822 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.595 -0.922 1.771 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.593 0.680 3.638 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.819 -0.066 4.644 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.626 -2.210 5.296 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.174 -3.168 4.988 1.00 0.00 H new ATOM 870 N SER A 54 -8.498 1.791 -0.333 1.00 0.00 N ATOM 871 CA SER A 54 -8.761 1.753 -1.767 1.00 0.00 C ATOM 872 C SER A 54 -8.231 0.461 -2.382 1.00 0.00 C ATOM 873 O SER A 54 -8.778 -0.043 -3.362 1.00 0.00 O ATOM 874 CB SER A 54 -8.121 2.960 -2.456 1.00 0.00 C ATOM 875 OG SER A 54 -8.208 2.847 -3.866 1.00 0.00 O ATOM 0 H SER A 54 -7.986 2.616 -0.020 1.00 0.00 H new ATOM 0 HA SER A 54 -9.840 1.789 -1.915 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.617 3.874 -2.130 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.076 3.041 -2.158 1.00 0.00 H new ATOM 0 HG SER A 54 -7.307 2.856 -4.251 1.00 0.00 H new ATOM 881 N GLY A 55 -7.161 -0.069 -1.799 1.00 0.00 N ATOM 882 CA GLY A 55 -6.573 -1.297 -2.303 1.00 0.00 C ATOM 883 C GLY A 55 -5.076 -1.182 -2.506 1.00 0.00 C ATOM 884 O GLY A 55 -4.362 -2.185 -2.486 1.00 0.00 O ATOM 0 H GLY A 55 -6.690 0.330 -0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.781 -2.109 -1.606 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.046 -1.561 -3.249 1.00 0.00 H new ATOM 888 N GLU A 56 -4.599 0.042 -2.705 1.00 0.00 N ATOM 889 CA GLU A 56 -3.176 0.283 -2.916 1.00 0.00 C ATOM 890 C GLU A 56 -2.446 0.433 -1.584 1.00 0.00 C ATOM 891 O GLU A 56 -2.997 0.962 -0.619 1.00 0.00 O ATOM 892 CB GLU A 56 -2.969 1.537 -3.767 1.00 0.00 C ATOM 893 CG GLU A 56 -3.453 1.387 -5.200 1.00 0.00 C ATOM 894 CD GLU A 56 -4.902 1.799 -5.372 1.00 0.00 C ATOM 895 OE1 GLU A 56 -5.245 2.936 -4.989 1.00 0.00 O ATOM 896 OE2 GLU A 56 -5.692 0.983 -5.890 1.00 0.00 O ATOM 0 H GLU A 56 -5.177 0.882 -2.725 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.762 -0.577 -3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.492 2.372 -3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.909 1.789 -3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.827 1.992 -5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.334 0.350 -5.513 1.00 0.00 H new ATOM 903 N ALA A 57 -1.204 -0.038 -1.540 1.00 0.00 N ATOM 904 CA ALA A 57 -0.399 0.044 -0.328 1.00 0.00 C ATOM 905 C ALA A 57 1.090 -0.027 -0.653 1.00 0.00 C ATOM 906 O ALA A 57 1.572 -1.026 -1.187 1.00 0.00 O ATOM 907 CB ALA A 57 -0.783 -1.067 0.638 1.00 0.00 C ATOM 0 H ALA A 57 -0.734 -0.480 -2.330 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.597 1.006 0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.173 -0.993 1.539 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.836 -0.971 0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.615 -2.035 0.165 1.00 0.00 H new ATOM 913 N PHE A 58 1.813 1.040 -0.328 1.00 0.00 N ATOM 914 CA PHE A 58 3.246 1.100 -0.587 1.00 0.00 C ATOM 915 C PHE A 58 4.026 0.356 0.494 1.00 0.00 C ATOM 916 O PHE A 58 3.490 0.043 1.557 1.00 0.00 O ATOM 917 CB PHE A 58 3.714 2.555 -0.658 1.00 0.00 C ATOM 918 CG PHE A 58 3.185 3.297 -1.852 1.00 0.00 C ATOM 919 CD1 PHE A 58 1.840 3.614 -1.948 1.00 0.00 C ATOM 920 CD2 PHE A 58 4.034 3.677 -2.879 1.00 0.00 C ATOM 921 CE1 PHE A 58 1.351 4.295 -3.047 1.00 0.00 C ATOM 922 CE2 PHE A 58 3.551 4.360 -3.980 1.00 0.00 C ATOM 923 CZ PHE A 58 2.208 4.670 -4.063 1.00 0.00 C ATOM 0 H PHE A 58 1.429 1.875 0.115 1.00 0.00 H new ATOM 0 HA PHE A 58 3.436 0.618 -1.546 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.403 3.073 0.249 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.804 2.577 -0.680 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.166 3.326 -1.155 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.085 3.437 -2.819 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.300 4.534 -3.111 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.223 4.651 -4.774 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.828 5.205 -4.921 1.00 0.00 H new ATOM 933 N VAL A 59 5.294 0.075 0.213 1.00 0.00 N ATOM 934 CA VAL A 59 6.148 -0.632 1.160 1.00 0.00 C ATOM 935 C VAL A 59 7.606 -0.212 1.004 1.00 0.00 C ATOM 936 O VAL A 59 8.143 -0.200 -0.103 1.00 0.00 O ATOM 937 CB VAL A 59 6.043 -2.158 0.981 1.00 0.00 C ATOM 938 CG1 VAL A 59 6.973 -2.875 1.948 1.00 0.00 C ATOM 939 CG2 VAL A 59 4.605 -2.618 1.170 1.00 0.00 C ATOM 0 H VAL A 59 5.753 0.326 -0.663 1.00 0.00 H new ATOM 0 HA VAL A 59 5.801 -0.367 2.159 1.00 0.00 H new ATOM 0 HB VAL A 59 6.351 -2.410 -0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.885 -3.952 1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.002 -2.567 1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.700 -2.620 2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.549 -3.699 1.040 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.268 -2.355 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.967 -2.130 0.433 1.00 0.00 H new ATOM 949 N GLU A 60 8.240 0.130 2.122 1.00 0.00 N ATOM 950 CA GLU A 60 9.636 0.550 2.108 1.00 0.00 C ATOM 951 C GLU A 60 10.568 -0.654 2.211 1.00 0.00 C ATOM 952 O GLU A 60 10.346 -1.558 3.017 1.00 0.00 O ATOM 953 CB GLU A 60 9.911 1.521 3.259 1.00 0.00 C ATOM 954 CG GLU A 60 9.398 2.928 3.004 1.00 0.00 C ATOM 955 CD GLU A 60 9.959 3.940 3.984 1.00 0.00 C ATOM 956 OE1 GLU A 60 11.133 3.790 4.384 1.00 0.00 O ATOM 957 OE2 GLU A 60 9.225 4.881 4.351 1.00 0.00 O ATOM 0 H GLU A 60 7.810 0.124 3.047 1.00 0.00 H new ATOM 0 HA GLU A 60 9.827 1.056 1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.450 1.134 4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.985 1.562 3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.659 3.227 1.989 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.310 2.931 3.067 1.00 0.00 H new ATOM 964 N LEU A 61 11.611 -0.659 1.388 1.00 0.00 N ATOM 965 CA LEU A 61 12.577 -1.752 1.384 1.00 0.00 C ATOM 966 C LEU A 61 13.889 -1.321 2.031 1.00 0.00 C ATOM 967 O LEU A 61 14.032 -0.178 2.465 1.00 0.00 O ATOM 968 CB LEU A 61 12.833 -2.228 -0.047 1.00 0.00 C ATOM 969 CG LEU A 61 11.603 -2.680 -0.835 1.00 0.00 C ATOM 970 CD1 LEU A 61 12.006 -3.183 -2.212 1.00 0.00 C ATOM 971 CD2 LEU A 61 10.848 -3.758 -0.071 1.00 0.00 C ATOM 0 H LEU A 61 11.809 0.081 0.715 1.00 0.00 H new ATOM 0 HA LEU A 61 12.160 -2.575 1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.315 -1.419 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.541 -3.056 -0.012 1.00 0.00 H new ATOM 0 HG LEU A 61 10.942 -1.823 -0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.117 -3.500 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.503 -2.383 -2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.687 -4.027 -2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.976 -4.068 -0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.501 -4.616 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.526 -3.363 0.892 1.00 0.00 H new ATOM 983 N GLU A 62 14.845 -2.243 2.090 1.00 0.00 N ATOM 984 CA GLU A 62 16.146 -1.956 2.683 1.00 0.00 C ATOM 985 C GLU A 62 17.169 -1.606 1.606 1.00 0.00 C ATOM 986 O GLU A 62 17.909 -0.630 1.732 1.00 0.00 O ATOM 987 CB GLU A 62 16.636 -3.156 3.497 1.00 0.00 C ATOM 988 CG GLU A 62 18.019 -2.962 4.094 1.00 0.00 C ATOM 989 CD GLU A 62 18.048 -1.886 5.163 1.00 0.00 C ATOM 990 OE1 GLU A 62 17.741 -0.720 4.838 1.00 0.00 O ATOM 991 OE2 GLU A 62 18.376 -2.211 6.323 1.00 0.00 O ATOM 0 H GLU A 62 14.743 -3.194 1.735 1.00 0.00 H new ATOM 0 HA GLU A 62 16.034 -1.098 3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.927 -3.353 4.301 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.646 -4.039 2.857 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.361 -3.904 4.523 1.00 0.00 H new ATOM 0 HG3 GLU A 62 18.719 -2.700 3.301 1.00 0.00 H new ATOM 998 N SER A 63 17.206 -2.410 0.549 1.00 0.00 N ATOM 999 CA SER A 63 18.141 -2.189 -0.548 1.00 0.00 C ATOM 1000 C SER A 63 17.453 -2.383 -1.896 1.00 0.00 C ATOM 1001 O SER A 63 16.272 -2.724 -1.958 1.00 0.00 O ATOM 1002 CB SER A 63 19.333 -3.140 -0.430 1.00 0.00 C ATOM 1003 OG SER A 63 19.909 -3.078 0.864 1.00 0.00 O ATOM 0 H SER A 63 16.599 -3.221 0.429 1.00 0.00 H new ATOM 0 HA SER A 63 18.498 -1.161 -0.486 1.00 0.00 H new ATOM 0 HB2 SER A 63 19.011 -4.160 -0.639 1.00 0.00 H new ATOM 0 HB3 SER A 63 20.083 -2.883 -1.178 1.00 0.00 H new ATOM 0 HG SER A 63 20.668 -3.696 0.914 1.00 0.00 H new ATOM 1009 N GLU A 64 18.201 -2.163 -2.972 1.00 0.00 N ATOM 1010 CA GLU A 64 17.663 -2.312 -4.320 1.00 0.00 C ATOM 1011 C GLU A 64 17.167 -3.737 -4.552 1.00 0.00 C ATOM 1012 O GLU A 64 16.004 -3.953 -4.893 1.00 0.00 O ATOM 1013 CB GLU A 64 18.726 -1.954 -5.360 1.00 0.00 C ATOM 1014 CG GLU A 64 18.187 -1.874 -6.778 1.00 0.00 C ATOM 1015 CD GLU A 64 19.181 -1.262 -7.746 1.00 0.00 C ATOM 1016 OE1 GLU A 64 19.588 -0.102 -7.524 1.00 0.00 O ATOM 1017 OE2 GLU A 64 19.552 -1.942 -8.726 1.00 0.00 O ATOM 0 H GLU A 64 19.181 -1.881 -2.937 1.00 0.00 H new ATOM 0 HA GLU A 64 16.819 -1.630 -4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.173 -0.996 -5.095 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.522 -2.698 -5.324 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.922 -2.875 -7.119 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.271 -1.283 -6.782 1.00 0.00 H new ATOM 1024 N ASP A 65 18.058 -4.705 -4.366 1.00 0.00 N ATOM 1025 CA ASP A 65 17.712 -6.109 -4.555 1.00 0.00 C ATOM 1026 C ASP A 65 16.266 -6.372 -4.147 1.00 0.00 C ATOM 1027 O ASP A 65 15.525 -7.054 -4.855 1.00 0.00 O ATOM 1028 CB ASP A 65 18.654 -7.001 -3.746 1.00 0.00 C ATOM 1029 CG ASP A 65 18.380 -8.477 -3.960 1.00 0.00 C ATOM 1030 OD1 ASP A 65 18.301 -8.902 -5.132 1.00 0.00 O ATOM 1031 OD2 ASP A 65 18.246 -9.207 -2.956 1.00 0.00 O ATOM 0 H ASP A 65 19.025 -4.543 -4.085 1.00 0.00 H new ATOM 0 HA ASP A 65 17.820 -6.345 -5.614 1.00 0.00 H new ATOM 0 HB2 ASP A 65 19.685 -6.782 -4.024 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.552 -6.765 -2.687 1.00 0.00 H new ATOM 1036 N ASP A 66 15.872 -5.827 -3.002 1.00 0.00 N ATOM 1037 CA ASP A 66 14.514 -6.003 -2.499 1.00 0.00 C ATOM 1038 C ASP A 66 13.488 -5.651 -3.571 1.00 0.00 C ATOM 1039 O ASP A 66 12.541 -6.401 -3.809 1.00 0.00 O ATOM 1040 CB ASP A 66 14.291 -5.137 -1.258 1.00 0.00 C ATOM 1041 CG ASP A 66 15.008 -5.680 -0.037 1.00 0.00 C ATOM 1042 OD1 ASP A 66 15.130 -6.918 0.078 1.00 0.00 O ATOM 1043 OD2 ASP A 66 15.447 -4.867 0.803 1.00 0.00 O ATOM 0 H ASP A 66 16.473 -5.260 -2.404 1.00 0.00 H new ATOM 0 HA ASP A 66 14.386 -7.051 -2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.638 -4.123 -1.459 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.223 -5.073 -1.050 1.00 0.00 H new ATOM 1048 N VAL A 67 13.682 -4.504 -4.215 1.00 0.00 N ATOM 1049 CA VAL A 67 12.773 -4.052 -5.262 1.00 0.00 C ATOM 1050 C VAL A 67 12.598 -5.120 -6.336 1.00 0.00 C ATOM 1051 O VAL A 67 11.487 -5.587 -6.587 1.00 0.00 O ATOM 1052 CB VAL A 67 13.277 -2.754 -5.920 1.00 0.00 C ATOM 1053 CG1 VAL A 67 12.269 -2.246 -6.939 1.00 0.00 C ATOM 1054 CG2 VAL A 67 13.561 -1.697 -4.865 1.00 0.00 C ATOM 0 H VAL A 67 14.460 -3.871 -4.030 1.00 0.00 H new ATOM 0 HA VAL A 67 11.812 -3.859 -4.786 1.00 0.00 H new ATOM 0 HB VAL A 67 14.208 -2.970 -6.443 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.642 -1.328 -7.394 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.122 -3.000 -7.712 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.320 -2.045 -6.443 1.00 0.00 H new ATOM 0 HG21 VAL A 67 13.916 -0.787 -5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.647 -1.481 -4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.323 -2.064 -4.178 1.00 0.00 H new ATOM 1064 N LYS A 68 13.702 -5.503 -6.967 1.00 0.00 N ATOM 1065 CA LYS A 68 13.673 -6.517 -8.014 1.00 0.00 C ATOM 1066 C LYS A 68 12.903 -7.752 -7.554 1.00 0.00 C ATOM 1067 O LYS A 68 12.122 -8.327 -8.313 1.00 0.00 O ATOM 1068 CB LYS A 68 15.097 -6.910 -8.412 1.00 0.00 C ATOM 1069 CG LYS A 68 15.964 -5.730 -8.815 1.00 0.00 C ATOM 1070 CD LYS A 68 17.409 -6.146 -9.029 1.00 0.00 C ATOM 1071 CE LYS A 68 18.353 -4.959 -8.921 1.00 0.00 C ATOM 1072 NZ LYS A 68 19.684 -5.251 -9.523 1.00 0.00 N ATOM 0 H LYS A 68 14.629 -5.126 -6.771 1.00 0.00 H new ATOM 0 HA LYS A 68 13.164 -6.094 -8.880 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.569 -7.428 -7.577 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.052 -7.616 -9.241 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.573 -5.286 -9.731 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.916 -4.962 -8.043 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.685 -6.900 -8.291 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.514 -6.608 -10.011 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.910 -4.097 -9.420 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.480 -4.690 -7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 20.298 -4.417 -9.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 20.118 -6.058 -9.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.566 -5.482 -10.530 1.00 0.00 H new ATOM 1086 N LEU A 69 13.127 -8.152 -6.307 1.00 0.00 N ATOM 1087 CA LEU A 69 12.454 -9.318 -5.745 1.00 0.00 C ATOM 1088 C LEU A 69 10.953 -9.072 -5.621 1.00 0.00 C ATOM 1089 O LEU A 69 10.143 -9.887 -6.061 1.00 0.00 O ATOM 1090 CB LEU A 69 13.041 -9.660 -4.375 1.00 0.00 C ATOM 1091 CG LEU A 69 14.535 -9.984 -4.347 1.00 0.00 C ATOM 1092 CD1 LEU A 69 15.045 -10.030 -2.915 1.00 0.00 C ATOM 1093 CD2 LEU A 69 14.807 -11.304 -5.054 1.00 0.00 C ATOM 0 H LEU A 69 13.769 -7.686 -5.666 1.00 0.00 H new ATOM 0 HA LEU A 69 12.612 -10.159 -6.420 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.859 -8.820 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.497 -10.514 -3.972 1.00 0.00 H new ATOM 0 HG LEU A 69 15.069 -9.194 -4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.110 -10.262 -2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.885 -9.062 -2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.506 -10.799 -2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.875 -11.519 -5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.262 -12.104 -4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.479 -11.236 -6.091 1.00 0.00 H new ATOM 1105 N ALA A 70 10.591 -7.943 -5.021 1.00 0.00 N ATOM 1106 CA ALA A 70 9.189 -7.588 -4.844 1.00 0.00 C ATOM 1107 C ALA A 70 8.427 -7.684 -6.161 1.00 0.00 C ATOM 1108 O ALA A 70 7.309 -8.199 -6.207 1.00 0.00 O ATOM 1109 CB ALA A 70 9.069 -6.187 -4.263 1.00 0.00 C ATOM 0 H ALA A 70 11.250 -7.259 -4.649 1.00 0.00 H new ATOM 0 HA ALA A 70 8.745 -8.298 -4.146 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.016 -5.935 -4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.570 -6.150 -3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.534 -5.471 -4.940 1.00 0.00 H new ATOM 1115 N LEU A 71 9.038 -7.186 -7.230 1.00 0.00 N ATOM 1116 CA LEU A 71 8.417 -7.215 -8.550 1.00 0.00 C ATOM 1117 C LEU A 71 8.109 -8.647 -8.975 1.00 0.00 C ATOM 1118 O LEU A 71 7.257 -8.883 -9.832 1.00 0.00 O ATOM 1119 CB LEU A 71 9.331 -6.550 -9.580 1.00 0.00 C ATOM 1120 CG LEU A 71 9.573 -5.052 -9.395 1.00 0.00 C ATOM 1121 CD1 LEU A 71 10.687 -4.574 -10.313 1.00 0.00 C ATOM 1122 CD2 LEU A 71 8.293 -4.269 -9.653 1.00 0.00 C ATOM 0 H LEU A 71 9.963 -6.757 -7.209 1.00 0.00 H new ATOM 0 HA LEU A 71 7.479 -6.662 -8.496 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.295 -7.058 -9.562 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.905 -6.709 -10.571 1.00 0.00 H new ATOM 0 HG LEU A 71 9.880 -4.878 -8.364 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.845 -3.505 -10.167 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.606 -5.112 -10.080 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.409 -4.762 -11.350 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.484 -3.205 -9.517 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.956 -4.449 -10.674 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.522 -4.592 -8.954 1.00 0.00 H new ATOM 1134 N LYS A 72 8.806 -9.602 -8.369 1.00 0.00 N ATOM 1135 CA LYS A 72 8.606 -11.012 -8.681 1.00 0.00 C ATOM 1136 C LYS A 72 7.300 -11.522 -8.081 1.00 0.00 C ATOM 1137 O LYS A 72 6.821 -12.599 -8.435 1.00 0.00 O ATOM 1138 CB LYS A 72 9.780 -11.843 -8.157 1.00 0.00 C ATOM 1139 CG LYS A 72 11.135 -11.351 -8.635 1.00 0.00 C ATOM 1140 CD LYS A 72 12.252 -12.285 -8.201 1.00 0.00 C ATOM 1141 CE LYS A 72 13.620 -11.717 -8.548 1.00 0.00 C ATOM 1142 NZ LYS A 72 14.716 -12.666 -8.210 1.00 0.00 N ATOM 0 H LYS A 72 9.515 -9.425 -7.658 1.00 0.00 H new ATOM 0 HA LYS A 72 8.552 -11.115 -9.765 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.763 -11.833 -7.067 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.648 -12.879 -8.469 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.130 -11.268 -9.722 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.321 -10.352 -8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.189 -12.454 -7.126 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.126 -13.254 -8.684 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.657 -11.483 -9.612 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.772 -10.781 -8.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.626 -12.163 -8.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.550 -13.066 -7.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.739 -13.434 -8.911 1.00 0.00 H new ATOM 1156 N LYS A 73 6.728 -10.741 -7.171 1.00 0.00 N ATOM 1157 CA LYS A 73 5.476 -11.112 -6.522 1.00 0.00 C ATOM 1158 C LYS A 73 4.280 -10.574 -7.302 1.00 0.00 C ATOM 1159 O LYS A 73 3.164 -10.520 -6.785 1.00 0.00 O ATOM 1160 CB LYS A 73 5.443 -10.580 -5.088 1.00 0.00 C ATOM 1161 CG LYS A 73 6.751 -10.771 -4.339 1.00 0.00 C ATOM 1162 CD LYS A 73 7.019 -12.238 -4.050 1.00 0.00 C ATOM 1163 CE LYS A 73 6.135 -12.755 -2.925 1.00 0.00 C ATOM 1164 NZ LYS A 73 5.831 -14.205 -3.081 1.00 0.00 N ATOM 0 H LYS A 73 7.112 -9.847 -6.866 1.00 0.00 H new ATOM 0 HA LYS A 73 5.415 -12.200 -6.500 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.197 -9.518 -5.109 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.644 -11.081 -4.541 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.571 -10.359 -4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.719 -10.215 -3.402 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.844 -12.825 -4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.067 -12.372 -3.781 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.630 -12.588 -1.968 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.204 -12.189 -2.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.227 -14.519 -2.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.336 -14.361 -3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.718 -14.748 -3.075 1.00 0.00 H new ATOM 1178 N ASP A 74 4.520 -10.181 -8.548 1.00 0.00 N ATOM 1179 CA ASP A 74 3.462 -9.650 -9.400 1.00 0.00 C ATOM 1180 C ASP A 74 2.429 -10.727 -9.717 1.00 0.00 C ATOM 1181 O ASP A 74 2.725 -11.920 -9.665 1.00 0.00 O ATOM 1182 CB ASP A 74 4.052 -9.094 -10.696 1.00 0.00 C ATOM 1183 CG ASP A 74 4.321 -10.179 -11.722 1.00 0.00 C ATOM 1184 OD1 ASP A 74 3.345 -10.764 -12.234 1.00 0.00 O ATOM 1185 OD2 ASP A 74 5.507 -10.442 -12.011 1.00 0.00 O ATOM 0 H ASP A 74 5.438 -10.220 -8.991 1.00 0.00 H new ATOM 0 HA ASP A 74 2.966 -8.843 -8.861 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.366 -8.360 -11.119 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.981 -8.570 -10.473 1.00 0.00 H new ATOM 1190 N ARG A 75 1.215 -10.296 -10.044 1.00 0.00 N ATOM 1191 CA ARG A 75 0.137 -11.223 -10.368 1.00 0.00 C ATOM 1192 C ARG A 75 0.098 -12.380 -9.374 1.00 0.00 C ATOM 1193 O ARG A 75 -0.207 -13.514 -9.739 1.00 0.00 O ATOM 1194 CB ARG A 75 0.309 -11.763 -11.789 1.00 0.00 C ATOM 1195 CG ARG A 75 -0.364 -10.908 -12.850 1.00 0.00 C ATOM 1196 CD ARG A 75 0.159 -11.233 -14.241 1.00 0.00 C ATOM 1197 NE ARG A 75 1.500 -10.698 -14.461 1.00 0.00 N ATOM 1198 CZ ARG A 75 2.013 -10.471 -15.665 1.00 0.00 C ATOM 1199 NH1 ARG A 75 1.300 -10.732 -16.752 1.00 0.00 N ATOM 1200 NH2 ARG A 75 3.240 -9.982 -15.783 1.00 0.00 N ATOM 0 H ARG A 75 0.953 -9.311 -10.092 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.806 -10.680 -10.305 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.373 -11.837 -12.015 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.098 -12.773 -11.837 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.442 -11.068 -12.819 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.192 -9.854 -12.632 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.173 -12.314 -14.379 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.521 -10.825 -14.988 1.00 0.00 H new ATOM 0 HE ARG A 75 2.074 -10.487 -13.645 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.356 -11.108 -16.665 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.696 -10.557 -17.676 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.791 -9.780 -14.949 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.633 -9.808 -16.708 1.00 0.00 H new ATOM 1214 N GLU A 76 0.411 -12.084 -8.116 1.00 0.00 N ATOM 1215 CA GLU A 76 0.413 -13.100 -7.070 1.00 0.00 C ATOM 1216 C GLU A 76 -0.966 -13.224 -6.430 1.00 0.00 C ATOM 1217 O GLU A 76 -1.907 -12.532 -6.817 1.00 0.00 O ATOM 1218 CB GLU A 76 1.455 -12.762 -6.002 1.00 0.00 C ATOM 1219 CG GLU A 76 2.841 -13.304 -6.311 1.00 0.00 C ATOM 1220 CD GLU A 76 2.925 -14.810 -6.161 1.00 0.00 C ATOM 1221 OE1 GLU A 76 2.458 -15.331 -5.127 1.00 0.00 O ATOM 1222 OE2 GLU A 76 3.458 -15.468 -7.079 1.00 0.00 O ATOM 0 H GLU A 76 0.666 -11.149 -7.797 1.00 0.00 H new ATOM 0 HA GLU A 76 0.669 -14.056 -7.527 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.513 -11.679 -5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.123 -13.161 -5.043 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.116 -13.028 -7.329 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.567 -12.835 -5.646 1.00 0.00 H new ATOM 1229 N SER A 77 -1.078 -14.113 -5.447 1.00 0.00 N ATOM 1230 CA SER A 77 -2.342 -14.332 -4.755 1.00 0.00 C ATOM 1231 C SER A 77 -2.148 -14.294 -3.242 1.00 0.00 C ATOM 1232 O SER A 77 -1.486 -15.158 -2.669 1.00 0.00 O ATOM 1233 CB SER A 77 -2.948 -15.675 -5.169 1.00 0.00 C ATOM 1234 OG SER A 77 -2.023 -16.731 -4.981 1.00 0.00 O ATOM 0 H SER A 77 -0.308 -14.693 -5.113 1.00 0.00 H new ATOM 0 HA SER A 77 -3.025 -13.530 -5.036 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.848 -15.867 -4.585 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.250 -15.634 -6.215 1.00 0.00 H new ATOM 0 HG SER A 77 -1.509 -16.574 -4.162 1.00 0.00 H new ATOM 1240 N MET A 78 -2.729 -13.284 -2.603 1.00 0.00 N ATOM 1241 CA MET A 78 -2.621 -13.133 -1.156 1.00 0.00 C ATOM 1242 C MET A 78 -3.878 -13.647 -0.460 1.00 0.00 C ATOM 1243 O MET A 78 -4.918 -12.990 -0.472 1.00 0.00 O ATOM 1244 CB MET A 78 -2.386 -11.666 -0.792 1.00 0.00 C ATOM 1245 CG MET A 78 -2.302 -11.418 0.705 1.00 0.00 C ATOM 1246 SD MET A 78 -2.518 -9.679 1.134 1.00 0.00 S ATOM 1247 CE MET A 78 -0.870 -9.048 0.826 1.00 0.00 C ATOM 0 H MET A 78 -3.279 -12.559 -3.063 1.00 0.00 H new ATOM 0 HA MET A 78 -1.771 -13.725 -0.816 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.462 -11.327 -1.261 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.194 -11.063 -1.207 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.064 -12.010 1.211 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.335 -11.762 1.073 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.518 -8.505 1.703 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.195 -9.879 0.619 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.892 -8.376 -0.032 1.00 0.00 H new ATOM 1257 N GLY A 79 -3.773 -14.826 0.145 1.00 0.00 N ATOM 1258 CA GLY A 79 -4.909 -15.408 0.837 1.00 0.00 C ATOM 1259 C GLY A 79 -5.953 -15.951 -0.118 1.00 0.00 C ATOM 1260 O GLY A 79 -5.927 -17.130 -0.473 1.00 0.00 O ATOM 0 H GLY A 79 -2.922 -15.388 0.169 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.562 -16.212 1.487 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.365 -14.654 1.479 1.00 0.00 H new ATOM 1264 N HIS A 80 -6.877 -15.091 -0.533 1.00 0.00 N ATOM 1265 CA HIS A 80 -7.937 -15.491 -1.452 1.00 0.00 C ATOM 1266 C HIS A 80 -8.086 -14.479 -2.584 1.00 0.00 C ATOM 1267 O HIS A 80 -8.906 -14.658 -3.485 1.00 0.00 O ATOM 1268 CB HIS A 80 -9.262 -15.636 -0.704 1.00 0.00 C ATOM 1269 CG HIS A 80 -10.465 -15.418 -1.569 1.00 0.00 C ATOM 1270 ND1 HIS A 80 -11.009 -14.173 -1.803 1.00 0.00 N ATOM 1271 CD2 HIS A 80 -11.229 -16.296 -2.260 1.00 0.00 C ATOM 1272 CE1 HIS A 80 -12.057 -14.294 -2.599 1.00 0.00 C ATOM 1273 NE2 HIS A 80 -12.211 -15.573 -2.891 1.00 0.00 N ATOM 0 H HIS A 80 -6.914 -14.112 -0.248 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.665 -16.454 -1.883 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.315 -16.633 -0.266 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.284 -14.924 0.121 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -11.092 -17.366 -2.306 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -12.681 -13.485 -2.951 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.941 -15.961 -3.488 1.00 0.00 H new ATOM 1282 N ARG A 81 -7.289 -13.417 -2.531 1.00 0.00 N ATOM 1283 CA ARG A 81 -7.334 -12.376 -3.550 1.00 0.00 C ATOM 1284 C ARG A 81 -6.003 -12.283 -4.291 1.00 0.00 C ATOM 1285 O ARG A 81 -5.035 -12.955 -3.936 1.00 0.00 O ATOM 1286 CB ARG A 81 -7.672 -11.026 -2.916 1.00 0.00 C ATOM 1287 CG ARG A 81 -9.050 -10.982 -2.277 1.00 0.00 C ATOM 1288 CD ARG A 81 -9.552 -9.553 -2.133 1.00 0.00 C ATOM 1289 NE ARG A 81 -10.943 -9.504 -1.689 1.00 0.00 N ATOM 1290 CZ ARG A 81 -11.725 -8.442 -1.842 1.00 0.00 C ATOM 1291 NH1 ARG A 81 -11.256 -7.347 -2.424 1.00 0.00 N ATOM 1292 NH2 ARG A 81 -12.980 -8.473 -1.412 1.00 0.00 N ATOM 0 H ARG A 81 -6.604 -13.255 -1.793 1.00 0.00 H new ATOM 0 HA ARG A 81 -8.112 -12.638 -4.267 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.923 -10.791 -2.160 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.609 -10.250 -3.679 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.752 -11.556 -2.882 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.013 -11.456 -1.296 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.925 -9.018 -1.420 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.458 -9.038 -3.089 1.00 0.00 H new ATOM 0 HE ARG A 81 -11.335 -10.330 -1.237 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.292 -7.319 -2.756 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.859 -6.533 -2.540 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -13.345 -9.313 -0.963 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -13.580 -7.657 -1.530 1.00 0.00 H new ATOM 1306 N TYR A 82 -5.963 -11.446 -5.322 1.00 0.00 N ATOM 1307 CA TYR A 82 -4.752 -11.267 -6.115 1.00 0.00 C ATOM 1308 C TYR A 82 -4.062 -9.952 -5.766 1.00 0.00 C ATOM 1309 O TYR A 82 -4.715 -8.971 -5.409 1.00 0.00 O ATOM 1310 CB TYR A 82 -5.086 -11.300 -7.607 1.00 0.00 C ATOM 1311 CG TYR A 82 -4.985 -12.679 -8.219 1.00 0.00 C ATOM 1312 CD1 TYR A 82 -5.818 -13.709 -7.801 1.00 0.00 C ATOM 1313 CD2 TYR A 82 -4.056 -12.951 -9.217 1.00 0.00 C ATOM 1314 CE1 TYR A 82 -5.728 -14.971 -8.357 1.00 0.00 C ATOM 1315 CE2 TYR A 82 -3.961 -14.209 -9.780 1.00 0.00 C ATOM 1316 CZ TYR A 82 -4.799 -15.216 -9.346 1.00 0.00 C ATOM 1317 OH TYR A 82 -4.708 -16.471 -9.904 1.00 0.00 O ATOM 0 H TYR A 82 -6.755 -10.881 -5.628 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.071 -12.086 -5.883 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.097 -10.920 -7.753 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.413 -10.626 -8.137 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.549 -13.520 -7.028 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.398 -12.166 -9.558 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.382 -15.761 -8.019 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.235 -14.403 -10.556 1.00 0.00 H new ATOM 0 HH TYR A 82 -4.005 -16.475 -10.587 1.00 0.00 H new ATOM 1327 N ILE A 83 -2.738 -9.940 -5.872 1.00 0.00 N ATOM 1328 CA ILE A 83 -1.958 -8.747 -5.569 1.00 0.00 C ATOM 1329 C ILE A 83 -1.024 -8.394 -6.721 1.00 0.00 C ATOM 1330 O ILE A 83 -0.307 -9.251 -7.236 1.00 0.00 O ATOM 1331 CB ILE A 83 -1.126 -8.928 -4.286 1.00 0.00 C ATOM 1332 CG1 ILE A 83 -1.978 -9.564 -3.185 1.00 0.00 C ATOM 1333 CG2 ILE A 83 -0.568 -7.590 -3.823 1.00 0.00 C ATOM 1334 CD1 ILE A 83 -3.231 -8.782 -2.863 1.00 0.00 C ATOM 0 H ILE A 83 -2.183 -10.744 -6.166 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.670 -7.935 -5.419 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.290 -9.593 -4.504 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.257 -10.573 -3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.377 -9.659 -2.281 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.018 -7.735 -2.915 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.069 -7.172 -4.603 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.390 -6.904 -3.619 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.785 -9.291 -2.075 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.959 -7.781 -2.527 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.853 -8.709 -3.755 1.00 0.00 H new ATOM 1346 N GLU A 84 -1.037 -7.125 -7.120 1.00 0.00 N ATOM 1347 CA GLU A 84 -0.189 -6.659 -8.211 1.00 0.00 C ATOM 1348 C GLU A 84 0.905 -5.730 -7.692 1.00 0.00 C ATOM 1349 O GLU A 84 0.621 -4.692 -7.094 1.00 0.00 O ATOM 1350 CB GLU A 84 -1.029 -5.936 -9.266 1.00 0.00 C ATOM 1351 CG GLU A 84 -1.961 -6.856 -10.037 1.00 0.00 C ATOM 1352 CD GLU A 84 -2.880 -6.100 -10.977 1.00 0.00 C ATOM 1353 OE1 GLU A 84 -3.845 -5.476 -10.490 1.00 0.00 O ATOM 1354 OE2 GLU A 84 -2.632 -6.133 -12.201 1.00 0.00 O ATOM 0 H GLU A 84 -1.625 -6.403 -6.704 1.00 0.00 H new ATOM 0 HA GLU A 84 0.284 -7.529 -8.667 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.619 -5.160 -8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.363 -5.436 -9.969 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.369 -7.570 -10.610 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.561 -7.432 -9.333 1.00 0.00 H new ATOM 1361 N VAL A 85 2.157 -6.112 -7.924 1.00 0.00 N ATOM 1362 CA VAL A 85 3.294 -5.314 -7.481 1.00 0.00 C ATOM 1363 C VAL A 85 3.643 -4.240 -8.504 1.00 0.00 C ATOM 1364 O VAL A 85 3.598 -4.478 -9.711 1.00 0.00 O ATOM 1365 CB VAL A 85 4.534 -6.194 -7.233 1.00 0.00 C ATOM 1366 CG1 VAL A 85 5.703 -5.346 -6.756 1.00 0.00 C ATOM 1367 CG2 VAL A 85 4.215 -7.291 -6.228 1.00 0.00 C ATOM 0 H VAL A 85 2.409 -6.969 -8.416 1.00 0.00 H new ATOM 0 HA VAL A 85 3.002 -4.838 -6.545 1.00 0.00 H new ATOM 0 HB VAL A 85 4.818 -6.666 -8.174 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.570 -5.984 -6.586 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.944 -4.600 -7.513 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.433 -4.845 -5.826 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.102 -7.903 -6.064 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.905 -6.841 -5.285 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.409 -7.915 -6.614 1.00 0.00 H new ATOM 1377 N PHE A 86 3.992 -3.055 -8.014 1.00 0.00 N ATOM 1378 CA PHE A 86 4.350 -1.942 -8.886 1.00 0.00 C ATOM 1379 C PHE A 86 5.636 -1.271 -8.412 1.00 0.00 C ATOM 1380 O PHE A 86 5.781 -0.942 -7.235 1.00 0.00 O ATOM 1381 CB PHE A 86 3.214 -0.918 -8.932 1.00 0.00 C ATOM 1382 CG PHE A 86 2.000 -1.401 -9.672 1.00 0.00 C ATOM 1383 CD1 PHE A 86 2.113 -1.913 -10.955 1.00 0.00 C ATOM 1384 CD2 PHE A 86 0.746 -1.343 -9.086 1.00 0.00 C ATOM 1385 CE1 PHE A 86 0.998 -2.360 -11.639 1.00 0.00 C ATOM 1386 CE2 PHE A 86 -0.373 -1.788 -9.765 1.00 0.00 C ATOM 1387 CZ PHE A 86 -0.247 -2.296 -11.044 1.00 0.00 C ATOM 0 H PHE A 86 4.035 -2.841 -7.018 1.00 0.00 H new ATOM 0 HA PHE A 86 4.516 -2.337 -9.888 1.00 0.00 H new ATOM 0 HB2 PHE A 86 2.929 -0.658 -7.913 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.578 -0.005 -9.404 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.084 -1.963 -11.426 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.641 -0.946 -8.087 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.100 -2.759 -12.637 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.345 -1.739 -9.296 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.120 -2.642 -11.577 1.00 0.00 H new ATOM 1397 N LYS A 87 6.568 -1.072 -9.338 1.00 0.00 N ATOM 1398 CA LYS A 87 7.842 -0.440 -9.018 1.00 0.00 C ATOM 1399 C LYS A 87 7.678 1.068 -8.863 1.00 0.00 C ATOM 1400 O LYS A 87 7.334 1.766 -9.818 1.00 0.00 O ATOM 1401 CB LYS A 87 8.872 -0.742 -10.109 1.00 0.00 C ATOM 1402 CG LYS A 87 10.310 -0.674 -9.623 1.00 0.00 C ATOM 1403 CD LYS A 87 10.720 0.751 -9.294 1.00 0.00 C ATOM 1404 CE LYS A 87 12.149 0.815 -8.776 1.00 0.00 C ATOM 1405 NZ LYS A 87 12.777 2.139 -9.042 1.00 0.00 N ATOM 0 H LYS A 87 6.465 -1.340 -10.317 1.00 0.00 H new ATOM 0 HA LYS A 87 8.194 -0.848 -8.071 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.680 -1.736 -10.513 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.740 -0.034 -10.928 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.426 -1.300 -8.739 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.973 -1.077 -10.388 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.627 1.372 -10.185 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.042 1.162 -8.546 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.156 0.619 -7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.742 0.031 -9.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.750 2.142 -8.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.794 2.316 -10.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.226 2.885 -8.571 1.00 0.00 H new ATOM 1419 N SER A 88 7.927 1.565 -7.656 1.00 0.00 N ATOM 1420 CA SER A 88 7.805 2.991 -7.376 1.00 0.00 C ATOM 1421 C SER A 88 8.909 3.456 -6.432 1.00 0.00 C ATOM 1422 O SER A 88 9.567 2.645 -5.780 1.00 0.00 O ATOM 1423 CB SER A 88 6.435 3.297 -6.767 1.00 0.00 C ATOM 1424 OG SER A 88 6.001 4.600 -7.116 1.00 0.00 O ATOM 0 H SER A 88 8.215 1.001 -6.856 1.00 0.00 H new ATOM 0 HA SER A 88 7.905 3.531 -8.318 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.707 2.563 -7.114 1.00 0.00 H new ATOM 0 HB3 SER A 88 6.487 3.206 -5.682 1.00 0.00 H new ATOM 0 HG SER A 88 5.123 4.770 -6.716 1.00 0.00 H new ATOM 1430 N HIS A 89 9.107 4.769 -6.364 1.00 0.00 N ATOM 1431 CA HIS A 89 10.131 5.344 -5.499 1.00 0.00 C ATOM 1432 C HIS A 89 9.519 5.857 -4.199 1.00 0.00 C ATOM 1433 O HIS A 89 8.326 5.681 -3.952 1.00 0.00 O ATOM 1434 CB HIS A 89 10.857 6.481 -6.219 1.00 0.00 C ATOM 1435 CG HIS A 89 9.952 7.334 -7.054 1.00 0.00 C ATOM 1436 ND1 HIS A 89 9.313 7.072 -8.218 1.00 0.00 N flip ATOM 1437 CD2 HIS A 89 9.618 8.630 -6.719 1.00 0.00 C flip ATOM 1438 CE1 HIS A 89 8.610 8.201 -8.560 1.00 0.00 C flip ATOM 1439 NE2 HIS A 89 8.811 9.126 -7.639 1.00 0.00 N flip ATOM 0 H HIS A 89 8.572 5.454 -6.897 1.00 0.00 H new ATOM 0 HA HIS A 89 10.849 4.561 -5.257 1.00 0.00 H new ATOM 0 HB2 HIS A 89 11.355 7.109 -5.480 1.00 0.00 H new ATOM 0 HB3 HIS A 89 11.635 6.059 -6.855 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.963 9.157 -5.841 1.00 0.00 H new ATOM 0 HE1 HIS A 89 7.993 8.314 -9.439 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.411 10.064 -7.638 1.00 0.00 H new ATOM 1448 N ARG A 90 10.344 6.491 -3.372 1.00 0.00 N ATOM 1449 CA ARG A 90 9.884 7.028 -2.097 1.00 0.00 C ATOM 1450 C ARG A 90 9.153 8.352 -2.297 1.00 0.00 C ATOM 1451 O ARG A 90 7.976 8.482 -1.959 1.00 0.00 O ATOM 1452 CB ARG A 90 11.067 7.224 -1.146 1.00 0.00 C ATOM 1453 CG ARG A 90 10.738 8.081 0.065 1.00 0.00 C ATOM 1454 CD ARG A 90 10.170 7.245 1.201 1.00 0.00 C ATOM 1455 NE ARG A 90 11.113 6.229 1.659 1.00 0.00 N ATOM 1456 CZ ARG A 90 12.115 6.479 2.495 1.00 0.00 C ATOM 1457 NH1 ARG A 90 12.301 7.705 2.963 1.00 0.00 N ATOM 1458 NH2 ARG A 90 12.932 5.501 2.864 1.00 0.00 N ATOM 0 H ARG A 90 11.334 6.645 -3.562 1.00 0.00 H new ATOM 0 HA ARG A 90 9.189 6.312 -1.659 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.415 6.248 -0.807 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.890 7.684 -1.693 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.638 8.594 0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.019 8.850 -0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.907 7.897 2.034 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.250 6.763 0.871 1.00 0.00 H new ATOM 0 HE ARG A 90 10.996 5.275 1.318 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.674 8.459 2.682 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.071 7.895 3.605 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.791 4.556 2.506 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.701 5.694 3.506 1.00 0.00 H new ATOM 1472 N THR A 91 9.859 9.335 -2.847 1.00 0.00 N ATOM 1473 CA THR A 91 9.279 10.650 -3.090 1.00 0.00 C ATOM 1474 C THR A 91 7.802 10.541 -3.451 1.00 0.00 C ATOM 1475 O THR A 91 6.952 11.166 -2.818 1.00 0.00 O ATOM 1476 CB THR A 91 10.018 11.390 -4.221 1.00 0.00 C ATOM 1477 OG1 THR A 91 11.420 11.450 -3.933 1.00 0.00 O ATOM 1478 CG2 THR A 91 9.471 12.799 -4.394 1.00 0.00 C ATOM 0 H THR A 91 10.834 9.245 -3.133 1.00 0.00 H new ATOM 0 HA THR A 91 9.384 11.217 -2.165 1.00 0.00 H new ATOM 0 HB THR A 91 9.861 10.839 -5.148 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.883 11.920 -4.657 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.008 13.302 -5.198 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.411 12.750 -4.641 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.602 13.356 -3.466 1.00 0.00 H new ATOM 1486 N GLU A 92 7.504 9.742 -4.471 1.00 0.00 N ATOM 1487 CA GLU A 92 6.128 9.552 -4.915 1.00 0.00 C ATOM 1488 C GLU A 92 5.247 9.070 -3.766 1.00 0.00 C ATOM 1489 O GLU A 92 4.258 9.714 -3.416 1.00 0.00 O ATOM 1490 CB GLU A 92 6.075 8.548 -6.068 1.00 0.00 C ATOM 1491 CG GLU A 92 4.662 8.169 -6.481 1.00 0.00 C ATOM 1492 CD GLU A 92 4.114 9.065 -7.574 1.00 0.00 C ATOM 1493 OE1 GLU A 92 4.637 10.186 -7.742 1.00 0.00 O ATOM 1494 OE2 GLU A 92 3.161 8.645 -8.263 1.00 0.00 O ATOM 0 H GLU A 92 8.196 9.216 -5.005 1.00 0.00 H new ATOM 0 HA GLU A 92 5.749 10.513 -5.262 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.596 8.968 -6.929 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.614 7.646 -5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.653 7.135 -6.826 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.007 8.221 -5.611 1.00 0.00 H new ATOM 1501 N MET A 93 5.614 7.934 -3.183 1.00 0.00 N ATOM 1502 CA MET A 93 4.858 7.366 -2.073 1.00 0.00 C ATOM 1503 C MET A 93 4.604 8.415 -0.995 1.00 0.00 C ATOM 1504 O MET A 93 3.711 8.259 -0.162 1.00 0.00 O ATOM 1505 CB MET A 93 5.607 6.174 -1.474 1.00 0.00 C ATOM 1506 CG MET A 93 4.947 5.604 -0.229 1.00 0.00 C ATOM 1507 SD MET A 93 6.005 4.435 0.645 1.00 0.00 S ATOM 1508 CE MET A 93 7.253 5.537 1.306 1.00 0.00 C ATOM 0 H MET A 93 6.430 7.389 -3.461 1.00 0.00 H new ATOM 0 HA MET A 93 3.897 7.026 -2.458 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.684 5.389 -2.226 1.00 0.00 H new ATOM 0 HB3 MET A 93 6.624 6.481 -1.228 1.00 0.00 H new ATOM 0 HG2 MET A 93 4.682 6.420 0.443 1.00 0.00 H new ATOM 0 HG3 MET A 93 4.018 5.108 -0.510 1.00 0.00 H new ATOM 0 HE1 MET A 93 8.243 5.168 1.037 1.00 0.00 H new ATOM 0 HE2 MET A 93 7.113 6.535 0.892 1.00 0.00 H new ATOM 0 HE3 MET A 93 7.164 5.579 2.392 1.00 0.00 H new ATOM 1518 N ASP A 94 5.394 9.482 -1.017 1.00 0.00 N ATOM 1519 CA ASP A 94 5.254 10.558 -0.042 1.00 0.00 C ATOM 1520 C ASP A 94 4.009 11.391 -0.328 1.00 0.00 C ATOM 1521 O ASP A 94 3.222 11.679 0.575 1.00 0.00 O ATOM 1522 CB ASP A 94 6.495 11.451 -0.055 1.00 0.00 C ATOM 1523 CG ASP A 94 6.730 12.134 1.278 1.00 0.00 C ATOM 1524 OD1 ASP A 94 7.101 11.437 2.246 1.00 0.00 O ATOM 1525 OD2 ASP A 94 6.544 13.367 1.354 1.00 0.00 O ATOM 0 H ASP A 94 6.138 9.626 -1.699 1.00 0.00 H new ATOM 0 HA ASP A 94 5.150 10.109 0.946 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.368 10.851 -0.312 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.387 12.207 -0.833 1.00 0.00 H new ATOM 1530 N TRP A 95 3.837 11.776 -1.587 1.00 0.00 N ATOM 1531 CA TRP A 95 2.688 12.578 -1.991 1.00 0.00 C ATOM 1532 C TRP A 95 1.412 11.743 -1.985 1.00 0.00 C ATOM 1533 O TRP A 95 0.378 12.175 -1.476 1.00 0.00 O ATOM 1534 CB TRP A 95 2.917 13.171 -3.382 1.00 0.00 C ATOM 1535 CG TRP A 95 2.341 12.337 -4.486 1.00 0.00 C ATOM 1536 CD1 TRP A 95 3.035 11.633 -5.429 1.00 0.00 C ATOM 1537 CD2 TRP A 95 0.953 12.121 -4.762 1.00 0.00 C ATOM 1538 NE1 TRP A 95 2.161 10.993 -6.274 1.00 0.00 N ATOM 1539 CE2 TRP A 95 0.878 11.275 -5.886 1.00 0.00 C ATOM 1540 CE3 TRP A 95 -0.234 12.558 -4.168 1.00 0.00 C ATOM 1541 CZ2 TRP A 95 -0.336 10.861 -6.426 1.00 0.00 C ATOM 1542 CZ3 TRP A 95 -1.439 12.146 -4.705 1.00 0.00 C ATOM 1543 CH2 TRP A 95 -1.483 11.304 -5.825 1.00 0.00 C ATOM 0 H TRP A 95 4.478 11.546 -2.346 1.00 0.00 H new ATOM 0 HA TRP A 95 2.573 13.389 -1.272 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.476 14.167 -3.421 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.988 13.289 -3.547 1.00 0.00 H new ATOM 0 HD1 TRP A 95 4.112 11.586 -5.500 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.425 10.403 -7.063 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.210 13.206 -3.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -0.372 10.213 -7.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.362 12.478 -4.254 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.440 10.999 -6.221 1.00 0.00 H new ATOM 1554 N VAL A 96 1.492 10.544 -2.553 1.00 0.00 N ATOM 1555 CA VAL A 96 0.343 9.648 -2.612 1.00 0.00 C ATOM 1556 C VAL A 96 -0.249 9.422 -1.225 1.00 0.00 C ATOM 1557 O VAL A 96 -1.453 9.211 -1.079 1.00 0.00 O ATOM 1558 CB VAL A 96 0.724 8.287 -3.224 1.00 0.00 C ATOM 1559 CG1 VAL A 96 1.544 8.481 -4.490 1.00 0.00 C ATOM 1560 CG2 VAL A 96 1.484 7.442 -2.212 1.00 0.00 C ATOM 0 H VAL A 96 2.340 10.171 -2.979 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.401 10.128 -3.248 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.192 7.759 -3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.804 7.508 -4.908 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.961 9.045 -5.218 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.456 9.029 -4.253 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.745 6.484 -2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.394 7.963 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.858 7.273 -1.336 1.00 0.00 H new ATOM 1570 N LEU A 97 0.606 9.468 -0.209 1.00 0.00 N ATOM 1571 CA LEU A 97 0.167 9.268 1.168 1.00 0.00 C ATOM 1572 C LEU A 97 -0.480 10.534 1.722 1.00 0.00 C ATOM 1573 O LEU A 97 -1.646 10.526 2.117 1.00 0.00 O ATOM 1574 CB LEU A 97 1.352 8.861 2.047 1.00 0.00 C ATOM 1575 CG LEU A 97 1.829 7.416 1.902 1.00 0.00 C ATOM 1576 CD1 LEU A 97 3.132 7.206 2.657 1.00 0.00 C ATOM 1577 CD2 LEU A 97 0.762 6.450 2.397 1.00 0.00 C ATOM 0 H LEU A 97 1.606 9.642 -0.312 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.575 8.469 1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.189 9.523 1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.081 9.030 3.089 1.00 0.00 H new ATOM 0 HG LEU A 97 2.009 7.217 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.456 6.172 2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.896 7.872 2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.979 7.423 3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.119 5.426 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.550 6.649 3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.148 6.582 1.812 1.00 0.00 H new ATOM 1589 N LYS A 98 0.284 11.620 1.747 1.00 0.00 N ATOM 1590 CA LYS A 98 -0.215 12.895 2.249 1.00 0.00 C ATOM 1591 C LYS A 98 -1.621 13.173 1.727 1.00 0.00 C ATOM 1592 O LYS A 98 -2.403 13.880 2.364 1.00 0.00 O ATOM 1593 CB LYS A 98 0.725 14.031 1.840 1.00 0.00 C ATOM 1594 CG LYS A 98 2.152 13.845 2.326 1.00 0.00 C ATOM 1595 CD LYS A 98 3.138 14.630 1.477 1.00 0.00 C ATOM 1596 CE LYS A 98 3.297 16.055 1.982 1.00 0.00 C ATOM 1597 NZ LYS A 98 4.323 16.807 1.208 1.00 0.00 N ATOM 0 H LYS A 98 1.252 11.643 1.425 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.255 12.838 3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.728 14.115 0.753 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.337 14.971 2.231 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.228 14.167 3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.411 12.786 2.300 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.106 14.130 1.486 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.797 14.646 0.442 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.340 16.573 1.915 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.577 16.038 3.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.401 17.774 1.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.242 16.327 1.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.043 16.846 0.207 1.00 0.00 H new ATOM 1611 N HIS A 99 -1.938 12.610 0.565 1.00 0.00 N ATOM 1612 CA HIS A 99 -3.252 12.795 -0.041 1.00 0.00 C ATOM 1613 C HIS A 99 -3.959 11.456 -0.225 1.00 0.00 C ATOM 1614 O HIS A 99 -4.481 11.162 -1.300 1.00 0.00 O ATOM 1615 CB HIS A 99 -3.120 13.505 -1.389 1.00 0.00 C ATOM 1616 CG HIS A 99 -2.107 14.609 -1.388 1.00 0.00 C ATOM 1617 ND1 HIS A 99 -1.757 15.308 -0.252 1.00 0.00 N ATOM 1618 CD2 HIS A 99 -1.366 15.131 -2.393 1.00 0.00 C ATOM 1619 CE1 HIS A 99 -0.846 16.214 -0.559 1.00 0.00 C ATOM 1620 NE2 HIS A 99 -0.591 16.127 -1.852 1.00 0.00 N ATOM 0 H HIS A 99 -1.303 12.022 0.025 1.00 0.00 H new ATOM 0 HA HIS A 99 -3.850 13.412 0.629 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -2.848 12.774 -2.150 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.090 13.913 -1.672 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.381 14.822 -3.428 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -0.388 16.908 0.130 1.00 0.00 H new ATOM 0 HE2 HIS A 99 0.074 16.706 -2.365 1.00 0.00 H new ATOM 1629 N SER A 100 -3.972 10.649 0.831 1.00 0.00 N ATOM 1630 CA SER A 100 -4.610 9.339 0.784 1.00 0.00 C ATOM 1631 C SER A 100 -5.726 9.241 1.820 1.00 0.00 C ATOM 1632 O SER A 100 -6.753 8.606 1.584 1.00 0.00 O ATOM 1633 CB SER A 100 -3.578 8.236 1.024 1.00 0.00 C ATOM 1634 OG SER A 100 -3.467 7.933 2.404 1.00 0.00 O ATOM 0 H SER A 100 -3.548 10.880 1.730 1.00 0.00 H new ATOM 0 HA SER A 100 -5.045 9.210 -0.207 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.864 7.340 0.474 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.608 8.551 0.638 1.00 0.00 H new ATOM 0 HG SER A 100 -2.802 7.224 2.531 1.00 0.00 H new ATOM 1640 N GLY A 101 -5.516 9.877 2.969 1.00 0.00 N ATOM 1641 CA GLY A 101 -6.512 9.850 4.024 1.00 0.00 C ATOM 1642 C GLY A 101 -7.719 10.709 3.705 1.00 0.00 C ATOM 1643 O GLY A 101 -7.661 11.613 2.870 1.00 0.00 O ATOM 0 H GLY A 101 -4.674 10.410 3.188 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.835 8.822 4.188 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.061 10.195 4.954 1.00 0.00 H new ATOM 1647 N PRO A 102 -8.844 10.430 4.378 1.00 0.00 N ATOM 1648 CA PRO A 102 -10.092 11.172 4.178 1.00 0.00 C ATOM 1649 C PRO A 102 -10.010 12.598 4.712 1.00 0.00 C ATOM 1650 O PRO A 102 -10.421 13.546 4.044 1.00 0.00 O ATOM 1651 CB PRO A 102 -11.119 10.361 4.972 1.00 0.00 C ATOM 1652 CG PRO A 102 -10.321 9.657 6.015 1.00 0.00 C ATOM 1653 CD PRO A 102 -8.985 9.367 5.388 1.00 0.00 C ATOM 0 HA PRO A 102 -10.338 11.278 3.121 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.873 11.008 5.420 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -11.645 9.653 4.332 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.208 10.277 6.905 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.813 8.736 6.328 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.180 9.401 6.123 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.961 8.376 4.935 1.00 0.00 H new ATOM 1661 N ASN A 103 -9.477 12.742 5.921 1.00 0.00 N ATOM 1662 CA ASN A 103 -9.342 14.054 6.545 1.00 0.00 C ATOM 1663 C ASN A 103 -7.895 14.535 6.492 1.00 0.00 C ATOM 1664 O ASN A 103 -6.961 13.738 6.579 1.00 0.00 O ATOM 1665 CB ASN A 103 -9.821 14.002 7.997 1.00 0.00 C ATOM 1666 CG ASN A 103 -8.845 13.274 8.902 1.00 0.00 C ATOM 1667 OD1 ASN A 103 -7.847 13.844 9.344 1.00 0.00 O ATOM 1668 ND2 ASN A 103 -9.130 12.008 9.182 1.00 0.00 N ATOM 0 H ASN A 103 -9.132 11.967 6.488 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.961 14.759 5.990 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.966 15.018 8.366 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -10.791 13.506 8.039 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -8.511 11.467 9.786 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -9.968 11.576 8.793 1.00 0.00 H new ATOM 1675 N SER A 104 -7.718 15.844 6.348 1.00 0.00 N ATOM 1676 CA SER A 104 -6.385 16.432 6.280 1.00 0.00 C ATOM 1677 C SER A 104 -6.001 17.064 7.615 1.00 0.00 C ATOM 1678 O SER A 104 -6.624 18.026 8.061 1.00 0.00 O ATOM 1679 CB SER A 104 -6.324 17.483 5.169 1.00 0.00 C ATOM 1680 OG SER A 104 -7.323 18.472 5.349 1.00 0.00 O ATOM 0 H SER A 104 -8.480 16.518 6.276 1.00 0.00 H new ATOM 0 HA SER A 104 -5.675 15.636 6.057 1.00 0.00 H new ATOM 0 HB2 SER A 104 -5.340 17.952 5.161 1.00 0.00 H new ATOM 0 HB3 SER A 104 -6.455 17.001 4.200 1.00 0.00 H new ATOM 0 HG SER A 104 -7.420 18.669 6.304 1.00 0.00 H new ATOM 1686 N ALA A 105 -4.969 16.513 8.247 1.00 0.00 N ATOM 1687 CA ALA A 105 -4.499 17.023 9.529 1.00 0.00 C ATOM 1688 C ALA A 105 -4.302 18.534 9.481 1.00 0.00 C ATOM 1689 O ALA A 105 -4.744 19.257 10.374 1.00 0.00 O ATOM 1690 CB ALA A 105 -3.204 16.332 9.929 1.00 0.00 C ATOM 0 H ALA A 105 -4.443 15.714 7.892 1.00 0.00 H new ATOM 0 HA ALA A 105 -5.260 16.807 10.279 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -2.864 16.723 10.888 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.375 15.259 10.014 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -2.443 16.519 9.171 1.00 0.00 H new ATOM 1696 N SER A 106 -3.635 19.006 8.432 1.00 0.00 N ATOM 1697 CA SER A 106 -3.375 20.431 8.270 1.00 0.00 C ATOM 1698 C SER A 106 -4.282 21.030 7.199 1.00 0.00 C ATOM 1699 O SER A 106 -5.115 20.338 6.617 1.00 0.00 O ATOM 1700 CB SER A 106 -1.908 20.665 7.901 1.00 0.00 C ATOM 1701 OG SER A 106 -1.581 22.043 7.960 1.00 0.00 O ATOM 0 H SER A 106 -3.265 18.422 7.682 1.00 0.00 H new ATOM 0 HA SER A 106 -3.587 20.924 9.219 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.265 20.106 8.581 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.717 20.285 6.897 1.00 0.00 H new ATOM 0 HG SER A 106 -0.659 22.147 8.277 1.00 0.00 H new ATOM 1707 N GLY A 107 -4.113 22.325 6.946 1.00 0.00 N ATOM 1708 CA GLY A 107 -4.922 22.997 5.946 1.00 0.00 C ATOM 1709 C GLY A 107 -4.180 24.129 5.265 1.00 0.00 C ATOM 1710 O GLY A 107 -3.815 24.044 4.092 1.00 0.00 O ATOM 0 H GLY A 107 -3.431 22.920 7.416 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -5.242 22.274 5.196 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -5.824 23.389 6.416 1.00 0.00 H new ATOM 1714 N PRO A 108 -3.948 25.222 6.008 1.00 0.00 N ATOM 1715 CA PRO A 108 -3.244 26.398 5.488 1.00 0.00 C ATOM 1716 C PRO A 108 -1.763 26.127 5.247 1.00 0.00 C ATOM 1717 O PRO A 108 -1.017 27.019 4.844 1.00 0.00 O ATOM 1718 CB PRO A 108 -3.424 27.438 6.596 1.00 0.00 C ATOM 1719 CG PRO A 108 -3.627 26.638 7.837 1.00 0.00 C ATOM 1720 CD PRO A 108 -4.355 25.392 7.412 1.00 0.00 C ATOM 0 HA PRO A 108 -3.636 26.713 4.521 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -2.549 28.083 6.679 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -4.279 28.084 6.397 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -2.673 26.393 8.304 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -4.207 27.197 8.571 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -4.070 24.533 8.020 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -5.435 25.505 7.506 1.00 0.00 H new ATOM 1728 N SER A 109 -1.344 24.890 5.497 1.00 0.00 N ATOM 1729 CA SER A 109 0.050 24.503 5.310 1.00 0.00 C ATOM 1730 C SER A 109 0.610 25.096 4.021 1.00 0.00 C ATOM 1731 O SER A 109 -0.140 25.534 3.149 1.00 0.00 O ATOM 1732 CB SER A 109 0.178 22.979 5.282 1.00 0.00 C ATOM 1733 OG SER A 109 -0.642 22.417 4.272 1.00 0.00 O ATOM 0 H SER A 109 -1.949 24.139 5.829 1.00 0.00 H new ATOM 0 HA SER A 109 0.626 24.894 6.149 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.217 22.701 5.107 1.00 0.00 H new ATOM 0 HB3 SER A 109 -0.103 22.569 6.252 1.00 0.00 H new ATOM 0 HG SER A 109 -0.541 21.442 4.273 1.00 0.00 H new ATOM 1739 N SER A 110 1.935 25.107 3.909 1.00 0.00 N ATOM 1740 CA SER A 110 2.598 25.649 2.729 1.00 0.00 C ATOM 1741 C SER A 110 3.172 24.530 1.866 1.00 0.00 C ATOM 1742 O SER A 110 4.205 23.948 2.191 1.00 0.00 O ATOM 1743 CB SER A 110 3.712 26.613 3.142 1.00 0.00 C ATOM 1744 OG SER A 110 3.192 27.898 3.437 1.00 0.00 O ATOM 0 H SER A 110 2.570 24.747 4.621 1.00 0.00 H new ATOM 0 HA SER A 110 1.856 26.192 2.143 1.00 0.00 H new ATOM 0 HB2 SER A 110 4.233 26.219 4.015 1.00 0.00 H new ATOM 0 HB3 SER A 110 4.446 26.690 2.340 1.00 0.00 H new ATOM 0 HG SER A 110 3.924 28.495 3.700 1.00 0.00 H new ATOM 1750 N GLY A 111 2.491 24.235 0.762 1.00 0.00 N ATOM 1751 CA GLY A 111 2.947 23.186 -0.132 1.00 0.00 C ATOM 1752 C GLY A 111 1.997 22.006 -0.174 1.00 0.00 C ATOM 1753 O GLY A 111 1.938 21.283 -1.168 1.00 0.00 O ATOM 0 H GLY A 111 1.633 24.703 0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 111 3.060 23.593 -1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 111 3.932 22.844 0.186 1.00 0.00 H new TER 1757 GLY A 111