USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 724 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 THR OG1 : rot -74:sc= 1.82 USER MOD Set 1.2: A 48 THR OG1 : rot -66:sc= 1.2 USER MOD Set 2.1: A 25 LYS NZ :NH3+ -168:sc= -0.404! (180deg=-1.4!) USER MOD Set 2.2: A 28 HIS : no HD1:sc= -4.88! C(o=-5.3!,f=-23!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 14:sc= 0.822! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.448 K(o=-0.45,f=-1.9) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.7) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -6.35! C(o=-6.4!,f=-10!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0181 X(o=-0.018,f=-0.018) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 1.13 K(o=1.1,f=-2.9!) USER MOD Single : A 61 GLN : amide:sc= -0.0846 X(o=-0.085,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -1 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.763 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0643) USER MOD Single : A 76 HIS : no HD1:sc= -0.243 X(o=-0.24,f=-0.7) USER MOD Single : A 82 SER OG : rot -75:sc= 0.193 USER MOD Single : A 85 GLN : amide:sc= -0.204 K(o=-0.2,f=-1.2) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -19:sc= 1.33 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 30:sc= 0.0231 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.003 -14.509 20.290 1.00 0.00 N ATOM 2 CA GLY A 1 -10.537 -15.742 19.685 1.00 0.00 C ATOM 3 C GLY A 1 -9.582 -15.499 18.533 1.00 0.00 C ATOM 4 O GLY A 1 -9.868 -14.706 17.637 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.652 -14.730 21.072 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.190 -13.973 20.656 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.501 -13.939 19.577 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.041 -16.349 20.442 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.393 -16.314 19.328 1.00 0.00 H new ATOM 8 N SER A 2 -8.442 -16.182 18.558 1.00 0.00 N ATOM 9 CA SER A 2 -7.437 -16.031 17.512 1.00 0.00 C ATOM 10 C SER A 2 -6.295 -17.024 17.707 1.00 0.00 C ATOM 11 O SER A 2 -5.601 -16.995 18.724 1.00 0.00 O ATOM 12 CB SER A 2 -6.891 -14.602 17.500 1.00 0.00 C ATOM 13 OG SER A 2 -6.027 -14.379 18.601 1.00 0.00 O ATOM 0 H SER A 2 -8.191 -16.845 19.291 1.00 0.00 H new ATOM 0 HA SER A 2 -7.914 -16.237 16.554 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.353 -14.422 16.569 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.718 -13.893 17.533 1.00 0.00 H new ATOM 0 HG SER A 2 -5.782 -15.238 19.004 1.00 0.00 H new ATOM 19 N SER A 3 -6.106 -17.900 16.726 1.00 0.00 N ATOM 20 CA SER A 3 -5.051 -18.904 16.792 1.00 0.00 C ATOM 21 C SER A 3 -4.773 -19.491 15.411 1.00 0.00 C ATOM 22 O SER A 3 -5.553 -19.307 14.477 1.00 0.00 O ATOM 23 CB SER A 3 -5.439 -20.020 17.763 1.00 0.00 C ATOM 24 OG SER A 3 -6.609 -20.692 17.328 1.00 0.00 O ATOM 0 H SER A 3 -6.669 -17.935 15.876 1.00 0.00 H new ATOM 0 HA SER A 3 -4.144 -18.418 17.152 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.618 -20.732 17.850 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.604 -19.601 18.756 1.00 0.00 H new ATOM 0 HG SER A 3 -6.835 -21.402 17.965 1.00 0.00 H new ATOM 30 N GLY A 4 -3.654 -20.199 15.289 1.00 0.00 N ATOM 31 CA GLY A 4 -3.291 -20.801 14.020 1.00 0.00 C ATOM 32 C GLY A 4 -2.365 -19.923 13.204 1.00 0.00 C ATOM 33 O GLY A 4 -2.820 -19.100 12.409 1.00 0.00 O ATOM 0 H GLY A 4 -2.992 -20.366 16.047 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.809 -21.761 14.202 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.195 -21.002 13.445 1.00 0.00 H new ATOM 37 N SER A 5 -1.062 -20.094 13.401 1.00 0.00 N ATOM 38 CA SER A 5 -0.069 -19.305 12.681 1.00 0.00 C ATOM 39 C SER A 5 1.178 -20.135 12.391 1.00 0.00 C ATOM 40 O SER A 5 1.963 -20.430 13.293 1.00 0.00 O ATOM 41 CB SER A 5 0.308 -18.062 13.489 1.00 0.00 C ATOM 42 OG SER A 5 -0.742 -17.110 13.481 1.00 0.00 O ATOM 0 H SER A 5 -0.669 -20.772 14.054 1.00 0.00 H new ATOM 0 HA SER A 5 -0.506 -18.994 11.732 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.536 -18.347 14.516 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.211 -17.615 13.074 1.00 0.00 H new ATOM 0 HG SER A 5 -0.477 -16.326 14.006 1.00 0.00 H new ATOM 48 N SER A 6 1.352 -20.508 11.127 1.00 0.00 N ATOM 49 CA SER A 6 2.501 -21.306 10.719 1.00 0.00 C ATOM 50 C SER A 6 3.423 -20.504 9.805 1.00 0.00 C ATOM 51 O SER A 6 2.992 -19.561 9.143 1.00 0.00 O ATOM 52 CB SER A 6 2.036 -22.578 10.003 1.00 0.00 C ATOM 53 OG SER A 6 1.822 -23.632 10.926 1.00 0.00 O ATOM 0 H SER A 6 0.712 -20.270 10.369 1.00 0.00 H new ATOM 0 HA SER A 6 3.057 -21.583 11.615 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.115 -22.376 9.457 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.783 -22.879 9.268 1.00 0.00 H new ATOM 0 HG SER A 6 1.524 -24.432 10.445 1.00 0.00 H new ATOM 59 N GLY A 7 4.696 -20.888 9.776 1.00 0.00 N ATOM 60 CA GLY A 7 5.661 -20.194 8.943 1.00 0.00 C ATOM 61 C GLY A 7 7.021 -20.081 9.601 1.00 0.00 C ATOM 62 O GLY A 7 7.151 -20.274 10.810 1.00 0.00 O ATOM 0 H GLY A 7 5.076 -21.667 10.314 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.763 -20.721 7.994 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.287 -19.196 8.715 1.00 0.00 H new ATOM 66 N ASP A 8 8.038 -19.771 8.804 1.00 0.00 N ATOM 67 CA ASP A 8 9.396 -19.633 9.317 1.00 0.00 C ATOM 68 C ASP A 8 10.227 -18.723 8.417 1.00 0.00 C ATOM 69 O ASP A 8 10.222 -18.870 7.195 1.00 0.00 O ATOM 70 CB ASP A 8 10.062 -21.005 9.429 1.00 0.00 C ATOM 71 CG ASP A 8 9.296 -21.948 10.336 1.00 0.00 C ATOM 72 OD1 ASP A 8 8.188 -22.375 9.948 1.00 0.00 O ATOM 73 OD2 ASP A 8 9.805 -22.260 11.433 1.00 0.00 O ATOM 0 H ASP A 8 7.948 -19.611 7.801 1.00 0.00 H new ATOM 0 HA ASP A 8 9.340 -19.182 10.308 1.00 0.00 H new ATOM 0 HB2 ASP A 8 10.145 -21.448 8.436 1.00 0.00 H new ATOM 0 HB3 ASP A 8 11.076 -20.883 9.809 1.00 0.00 H new ATOM 78 N ILE A 9 10.937 -17.782 9.030 1.00 0.00 N ATOM 79 CA ILE A 9 11.772 -16.848 8.285 1.00 0.00 C ATOM 80 C ILE A 9 13.076 -17.507 7.846 1.00 0.00 C ATOM 81 O ILE A 9 13.768 -18.135 8.648 1.00 0.00 O ATOM 82 CB ILE A 9 12.097 -15.595 9.118 1.00 0.00 C ATOM 83 CG1 ILE A 9 10.809 -14.937 9.615 1.00 0.00 C ATOM 84 CG2 ILE A 9 12.918 -14.611 8.298 1.00 0.00 C ATOM 85 CD1 ILE A 9 10.970 -14.212 10.933 1.00 0.00 C ATOM 0 H ILE A 9 10.951 -17.646 10.041 1.00 0.00 H new ATOM 0 HA ILE A 9 11.204 -16.550 7.404 1.00 0.00 H new ATOM 0 HB ILE A 9 12.686 -15.897 9.984 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.457 -14.232 8.862 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.038 -15.700 9.721 1.00 0.00 H new ATOM 0 HG21 ILE A 9 13.139 -13.731 8.901 1.00 0.00 H new ATOM 0 HG22 ILE A 9 13.851 -15.084 7.990 1.00 0.00 H new ATOM 0 HG23 ILE A 9 12.353 -14.313 7.415 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.017 -13.770 11.224 1.00 0.00 H new ATOM 0 HD12 ILE A 9 11.292 -14.917 11.699 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.717 -13.426 10.827 1.00 0.00 H new ATOM 97 N VAL A 10 13.407 -17.356 6.567 1.00 0.00 N ATOM 98 CA VAL A 10 14.630 -17.933 6.022 1.00 0.00 C ATOM 99 C VAL A 10 15.864 -17.319 6.672 1.00 0.00 C ATOM 100 O VAL A 10 15.846 -16.164 7.097 1.00 0.00 O ATOM 101 CB VAL A 10 14.712 -17.734 4.497 1.00 0.00 C ATOM 102 CG1 VAL A 10 13.535 -18.404 3.806 1.00 0.00 C ATOM 103 CG2 VAL A 10 14.770 -16.253 4.156 1.00 0.00 C ATOM 0 H VAL A 10 12.846 -16.839 5.890 1.00 0.00 H new ATOM 0 HA VAL A 10 14.602 -19.001 6.240 1.00 0.00 H new ATOM 0 HB VAL A 10 15.627 -18.203 4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.611 -18.252 2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 10 13.545 -19.472 4.024 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.604 -17.969 4.169 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.828 -16.131 3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.874 -15.758 4.530 1.00 0.00 H new ATOM 0 HG23 VAL A 10 15.650 -15.807 4.619 1.00 0.00 H new ATOM 113 N ALA A 11 16.938 -18.099 6.745 1.00 0.00 N ATOM 114 CA ALA A 11 18.184 -17.631 7.341 1.00 0.00 C ATOM 115 C ALA A 11 19.215 -17.300 6.267 1.00 0.00 C ATOM 116 O ALA A 11 20.385 -17.664 6.384 1.00 0.00 O ATOM 117 CB ALA A 11 18.735 -18.675 8.301 1.00 0.00 C ATOM 0 H ALA A 11 16.970 -19.058 6.399 1.00 0.00 H new ATOM 0 HA ALA A 11 17.972 -16.718 7.898 1.00 0.00 H new ATOM 0 HB1 ALA A 11 19.665 -18.312 8.738 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.009 -18.860 9.093 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.926 -19.602 7.760 1.00 0.00 H new ATOM 123 N ARG A 12 18.773 -16.609 5.222 1.00 0.00 N ATOM 124 CA ARG A 12 19.658 -16.230 4.127 1.00 0.00 C ATOM 125 C ARG A 12 19.306 -14.843 3.598 1.00 0.00 C ATOM 126 O ARG A 12 18.201 -14.344 3.820 1.00 0.00 O ATOM 127 CB ARG A 12 19.572 -17.257 2.996 1.00 0.00 C ATOM 128 CG ARG A 12 19.942 -18.667 3.424 1.00 0.00 C ATOM 129 CD ARG A 12 21.436 -18.917 3.287 1.00 0.00 C ATOM 130 NE ARG A 12 21.777 -20.324 3.478 1.00 0.00 N ATOM 131 CZ ARG A 12 22.954 -20.846 3.154 1.00 0.00 C ATOM 132 NH1 ARG A 12 23.899 -20.082 2.625 1.00 0.00 N ATOM 133 NH2 ARG A 12 23.187 -22.136 3.358 1.00 0.00 N ATOM 0 H ARG A 12 17.807 -16.300 5.110 1.00 0.00 H new ATOM 0 HA ARG A 12 20.678 -16.205 4.509 1.00 0.00 H new ATOM 0 HB2 ARG A 12 18.557 -17.262 2.598 1.00 0.00 H new ATOM 0 HB3 ARG A 12 20.231 -16.948 2.185 1.00 0.00 H new ATOM 0 HG2 ARG A 12 19.639 -18.826 4.459 1.00 0.00 H new ATOM 0 HG3 ARG A 12 19.394 -19.388 2.817 1.00 0.00 H new ATOM 0 HD2 ARG A 12 21.768 -18.595 2.300 1.00 0.00 H new ATOM 0 HD3 ARG A 12 21.973 -18.312 4.017 1.00 0.00 H new ATOM 0 HE ARG A 12 21.072 -20.940 3.883 1.00 0.00 H new ATOM 0 HH11 ARG A 12 23.723 -19.090 2.466 1.00 0.00 H new ATOM 0 HH12 ARG A 12 24.802 -20.486 2.377 1.00 0.00 H new ATOM 0 HH21 ARG A 12 22.462 -22.727 3.764 1.00 0.00 H new ATOM 0 HH22 ARG A 12 24.091 -22.537 3.109 1.00 0.00 H new ATOM 147 N LEU A 13 20.250 -14.226 2.897 1.00 0.00 N ATOM 148 CA LEU A 13 20.041 -12.896 2.336 1.00 0.00 C ATOM 149 C LEU A 13 19.311 -12.977 0.998 1.00 0.00 C ATOM 150 O LEU A 13 19.899 -13.350 -0.017 1.00 0.00 O ATOM 151 CB LEU A 13 21.380 -12.179 2.156 1.00 0.00 C ATOM 152 CG LEU A 13 22.259 -12.075 3.403 1.00 0.00 C ATOM 153 CD1 LEU A 13 22.947 -13.403 3.683 1.00 0.00 C ATOM 154 CD2 LEU A 13 23.286 -10.965 3.242 1.00 0.00 C ATOM 0 H LEU A 13 21.168 -14.626 2.703 1.00 0.00 H new ATOM 0 HA LEU A 13 19.423 -12.329 3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 13 21.945 -12.696 1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 13 21.183 -11.171 1.790 1.00 0.00 H new ATOM 0 HG LEU A 13 21.622 -11.832 4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 13 23.568 -13.310 4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 13 22.195 -14.176 3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 13 23.571 -13.676 2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 13 23.902 -10.906 4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 13 23.919 -11.177 2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 13 22.774 -10.015 3.091 1.00 0.00 H new ATOM 166 N GLN A 14 18.030 -12.624 1.007 1.00 0.00 N ATOM 167 CA GLN A 14 17.222 -12.658 -0.207 1.00 0.00 C ATOM 168 C GLN A 14 17.055 -11.257 -0.788 1.00 0.00 C ATOM 169 O GLN A 14 16.809 -10.296 -0.058 1.00 0.00 O ATOM 170 CB GLN A 14 15.850 -13.268 0.085 1.00 0.00 C ATOM 171 CG GLN A 14 14.947 -12.368 0.914 1.00 0.00 C ATOM 172 CD GLN A 14 13.750 -13.105 1.480 1.00 0.00 C ATOM 173 OE1 GLN A 14 13.894 -14.142 2.129 1.00 0.00 O ATOM 174 NE2 GLN A 14 12.558 -12.572 1.238 1.00 0.00 N ATOM 0 H GLN A 14 17.530 -12.312 1.839 1.00 0.00 H new ATOM 0 HA GLN A 14 17.738 -13.277 -0.940 1.00 0.00 H new ATOM 0 HB2 GLN A 14 15.355 -13.495 -0.859 1.00 0.00 H new ATOM 0 HB3 GLN A 14 15.986 -14.214 0.609 1.00 0.00 H new ATOM 0 HG2 GLN A 14 15.523 -11.936 1.732 1.00 0.00 H new ATOM 0 HG3 GLN A 14 14.600 -11.540 0.296 1.00 0.00 H new ATOM 0 HE21 GLN A 14 12.485 -11.711 0.696 1.00 0.00 H new ATOM 0 HE22 GLN A 14 11.716 -13.023 1.595 1.00 0.00 H new ATOM 183 N THR A 15 17.192 -11.149 -2.106 1.00 0.00 N ATOM 184 CA THR A 15 17.057 -9.866 -2.785 1.00 0.00 C ATOM 185 C THR A 15 15.794 -9.139 -2.342 1.00 0.00 C ATOM 186 O THR A 15 15.015 -9.660 -1.543 1.00 0.00 O ATOM 187 CB THR A 15 17.027 -10.040 -4.315 1.00 0.00 C ATOM 188 OG1 THR A 15 16.128 -11.098 -4.669 1.00 0.00 O ATOM 189 CG2 THR A 15 18.416 -10.347 -4.852 1.00 0.00 C ATOM 0 H THR A 15 17.396 -11.934 -2.724 1.00 0.00 H new ATOM 0 HA THR A 15 17.929 -9.271 -2.512 1.00 0.00 H new ATOM 0 HB THR A 15 16.682 -9.106 -4.759 1.00 0.00 H new ATOM 0 HG1 THR A 15 16.113 -11.202 -5.643 1.00 0.00 H new ATOM 0 HG21 THR A 15 18.370 -10.466 -5.935 1.00 0.00 H new ATOM 0 HG22 THR A 15 19.091 -9.527 -4.605 1.00 0.00 H new ATOM 0 HG23 THR A 15 18.785 -11.268 -4.401 1.00 0.00 H new ATOM 197 N GLN A 16 15.594 -7.934 -2.866 1.00 0.00 N ATOM 198 CA GLN A 16 14.423 -7.136 -2.523 1.00 0.00 C ATOM 199 C GLN A 16 13.377 -7.202 -3.631 1.00 0.00 C ATOM 200 O GLN A 16 13.682 -6.972 -4.801 1.00 0.00 O ATOM 201 CB GLN A 16 14.826 -5.681 -2.273 1.00 0.00 C ATOM 202 CG GLN A 16 15.811 -5.511 -1.127 1.00 0.00 C ATOM 203 CD GLN A 16 15.145 -5.600 0.231 1.00 0.00 C ATOM 204 OE1 GLN A 16 15.143 -6.654 0.866 1.00 0.00 O ATOM 205 NE2 GLN A 16 14.576 -4.490 0.686 1.00 0.00 N ATOM 0 H GLN A 16 16.228 -7.489 -3.530 1.00 0.00 H new ATOM 0 HA GLN A 16 13.989 -7.547 -1.612 1.00 0.00 H new ATOM 0 HB2 GLN A 16 15.266 -5.273 -3.183 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.931 -5.096 -2.062 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.583 -6.277 -1.200 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.309 -4.546 -1.221 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.601 -3.638 0.126 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.114 -4.490 1.595 1.00 0.00 H new ATOM 214 N ALA A 17 12.143 -7.520 -3.254 1.00 0.00 N ATOM 215 CA ALA A 17 11.051 -7.615 -4.214 1.00 0.00 C ATOM 216 C ALA A 17 10.276 -6.305 -4.297 1.00 0.00 C ATOM 217 O ALA A 17 10.469 -5.407 -3.478 1.00 0.00 O ATOM 218 CB ALA A 17 10.119 -8.759 -3.842 1.00 0.00 C ATOM 0 H ALA A 17 11.875 -7.716 -2.290 1.00 0.00 H new ATOM 0 HA ALA A 17 11.481 -7.815 -5.196 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.308 -8.818 -4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.675 -9.696 -3.842 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.705 -8.583 -2.849 1.00 0.00 H new ATOM 224 N SER A 18 9.400 -6.202 -5.291 1.00 0.00 N ATOM 225 CA SER A 18 8.600 -4.999 -5.483 1.00 0.00 C ATOM 226 C SER A 18 7.237 -5.342 -6.080 1.00 0.00 C ATOM 227 O SER A 18 7.148 -5.903 -7.171 1.00 0.00 O ATOM 228 CB SER A 18 9.333 -4.013 -6.395 1.00 0.00 C ATOM 229 OG SER A 18 10.045 -4.693 -7.414 1.00 0.00 O ATOM 0 H SER A 18 9.226 -6.938 -5.976 1.00 0.00 H new ATOM 0 HA SER A 18 8.446 -4.537 -4.508 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.616 -3.326 -6.845 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.023 -3.411 -5.804 1.00 0.00 H new ATOM 0 HG SER A 18 10.503 -4.041 -7.984 1.00 0.00 H new ATOM 235 N ALA A 19 6.178 -4.999 -5.354 1.00 0.00 N ATOM 236 CA ALA A 19 4.820 -5.269 -5.810 1.00 0.00 C ATOM 237 C ALA A 19 4.054 -3.973 -6.047 1.00 0.00 C ATOM 238 O ALA A 19 4.554 -2.882 -5.769 1.00 0.00 O ATOM 239 CB ALA A 19 4.087 -6.141 -4.800 1.00 0.00 C ATOM 0 H ALA A 19 6.234 -4.534 -4.448 1.00 0.00 H new ATOM 0 HA ALA A 19 4.881 -5.804 -6.758 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.074 -6.334 -5.154 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.617 -7.086 -4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.044 -5.628 -3.839 1.00 0.00 H new ATOM 245 N THR A 20 2.835 -4.097 -6.564 1.00 0.00 N ATOM 246 CA THR A 20 1.999 -2.935 -6.841 1.00 0.00 C ATOM 247 C THR A 20 0.549 -3.196 -6.453 1.00 0.00 C ATOM 248 O THR A 20 0.096 -4.341 -6.434 1.00 0.00 O ATOM 249 CB THR A 20 2.059 -2.543 -8.329 1.00 0.00 C ATOM 250 OG1 THR A 20 2.146 -3.718 -9.142 1.00 0.00 O ATOM 251 CG2 THR A 20 3.252 -1.639 -8.603 1.00 0.00 C ATOM 0 H THR A 20 2.405 -4.991 -6.799 1.00 0.00 H new ATOM 0 HA THR A 20 2.390 -2.113 -6.241 1.00 0.00 H new ATOM 0 HB THR A 20 1.148 -1.999 -8.576 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.182 -3.460 -10.087 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.273 -1.375 -9.660 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.166 -0.732 -8.005 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.172 -2.161 -8.341 1.00 0.00 H new ATOM 259 N VAL A 21 -0.178 -2.127 -6.144 1.00 0.00 N ATOM 260 CA VAL A 21 -1.580 -2.240 -5.758 1.00 0.00 C ATOM 261 C VAL A 21 -2.454 -1.305 -6.584 1.00 0.00 C ATOM 262 O VAL A 21 -2.399 -0.086 -6.427 1.00 0.00 O ATOM 263 CB VAL A 21 -1.777 -1.925 -4.263 1.00 0.00 C ATOM 264 CG1 VAL A 21 -1.183 -0.567 -3.921 1.00 0.00 C ATOM 265 CG2 VAL A 21 -3.254 -1.977 -3.899 1.00 0.00 C ATOM 0 H VAL A 21 0.181 -1.172 -6.153 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.879 -3.271 -5.946 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.254 -2.681 -3.677 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.332 -0.361 -2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.116 -0.570 -4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.675 0.205 -4.513 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.376 -1.752 -2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.801 -1.243 -4.491 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.645 -2.973 -4.106 1.00 0.00 H new ATOM 275 N ALA A 22 -3.263 -1.884 -7.466 1.00 0.00 N ATOM 276 CA ALA A 22 -4.153 -1.101 -8.315 1.00 0.00 C ATOM 277 C ALA A 22 -5.260 -0.448 -7.496 1.00 0.00 C ATOM 278 O ALA A 22 -6.117 -1.132 -6.937 1.00 0.00 O ATOM 279 CB ALA A 22 -4.748 -1.980 -9.406 1.00 0.00 C ATOM 0 H ALA A 22 -3.320 -2.892 -7.611 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.567 -0.308 -8.781 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.411 -1.383 -10.033 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.946 -2.394 -10.017 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.314 -2.793 -8.950 1.00 0.00 H new ATOM 285 N ILE A 23 -5.235 0.878 -7.431 1.00 0.00 N ATOM 286 CA ILE A 23 -6.239 1.624 -6.679 1.00 0.00 C ATOM 287 C ILE A 23 -6.636 2.901 -7.412 1.00 0.00 C ATOM 288 O ILE A 23 -5.879 3.449 -8.213 1.00 0.00 O ATOM 289 CB ILE A 23 -5.731 1.991 -5.272 1.00 0.00 C ATOM 290 CG1 ILE A 23 -4.264 2.419 -5.331 1.00 0.00 C ATOM 291 CG2 ILE A 23 -5.907 0.814 -4.323 1.00 0.00 C ATOM 292 CD1 ILE A 23 -3.668 2.723 -3.974 1.00 0.00 C ATOM 0 H ILE A 23 -4.532 1.459 -7.889 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.110 0.975 -6.584 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.319 2.828 -4.896 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.682 1.629 -5.806 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.177 3.303 -5.963 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.544 1.088 -3.332 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.963 0.550 -4.262 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.341 -0.040 -4.694 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.626 3.020 -4.093 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.225 3.534 -3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.723 1.834 -3.345 1.00 0.00 H new ATOM 304 N PRO A 24 -7.854 3.388 -7.132 1.00 0.00 N ATOM 305 CA PRO A 24 -8.380 4.608 -7.751 1.00 0.00 C ATOM 306 C PRO A 24 -7.659 5.863 -7.267 1.00 0.00 C ATOM 307 O PRO A 24 -7.211 5.931 -6.123 1.00 0.00 O ATOM 308 CB PRO A 24 -9.845 4.629 -7.306 1.00 0.00 C ATOM 309 CG PRO A 24 -9.866 3.847 -6.038 1.00 0.00 C ATOM 310 CD PRO A 24 -8.811 2.788 -6.187 1.00 0.00 C ATOM 0 HA PRO A 24 -8.248 4.604 -8.833 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.196 5.649 -7.148 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.494 4.181 -8.058 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.658 4.488 -5.181 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.846 3.400 -5.871 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.340 2.554 -5.233 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.227 1.858 -6.574 1.00 0.00 H new ATOM 318 N LYS A 25 -7.551 6.852 -8.146 1.00 0.00 N ATOM 319 CA LYS A 25 -6.885 8.106 -7.809 1.00 0.00 C ATOM 320 C LYS A 25 -7.601 8.810 -6.662 1.00 0.00 C ATOM 321 O LYS A 25 -7.102 9.795 -6.119 1.00 0.00 O ATOM 322 CB LYS A 25 -6.833 9.024 -9.033 1.00 0.00 C ATOM 323 CG LYS A 25 -5.632 9.953 -9.045 1.00 0.00 C ATOM 324 CD LYS A 25 -4.447 9.324 -9.759 1.00 0.00 C ATOM 325 CE LYS A 25 -3.567 8.541 -8.795 1.00 0.00 C ATOM 326 NZ LYS A 25 -3.143 9.370 -7.634 1.00 0.00 N ATOM 0 H LYS A 25 -7.916 6.811 -9.098 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.868 7.876 -7.492 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.818 8.412 -9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.744 9.621 -9.068 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.899 10.888 -9.537 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.352 10.200 -8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.805 8.661 -10.547 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.857 10.103 -10.242 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.109 7.666 -8.438 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.685 8.176 -9.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.391 8.877 -7.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.786 10.286 -7.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.956 9.527 -7.004 1.00 0.00 H new ATOM 340 N GLU A 26 -8.773 8.298 -6.297 1.00 0.00 N ATOM 341 CA GLU A 26 -9.556 8.879 -5.213 1.00 0.00 C ATOM 342 C GLU A 26 -9.201 8.231 -3.877 1.00 0.00 C ATOM 343 O GLU A 26 -9.572 8.730 -2.814 1.00 0.00 O ATOM 344 CB GLU A 26 -11.052 8.715 -5.491 1.00 0.00 C ATOM 345 CG GLU A 26 -11.614 7.382 -5.027 1.00 0.00 C ATOM 346 CD GLU A 26 -13.085 7.222 -5.359 1.00 0.00 C ATOM 347 OE1 GLU A 26 -13.855 8.177 -5.121 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.466 6.142 -5.858 1.00 0.00 O ATOM 0 H GLU A 26 -9.200 7.483 -6.736 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.319 9.941 -5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.595 9.521 -4.997 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.228 8.821 -6.561 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.050 6.573 -5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.476 7.289 -3.950 1.00 0.00 H new ATOM 355 N HIS A 27 -8.480 7.115 -3.941 1.00 0.00 N ATOM 356 CA HIS A 27 -8.075 6.398 -2.737 1.00 0.00 C ATOM 357 C HIS A 27 -6.604 6.654 -2.422 1.00 0.00 C ATOM 358 O HIS A 27 -6.154 6.439 -1.296 1.00 0.00 O ATOM 359 CB HIS A 27 -8.318 4.898 -2.906 1.00 0.00 C ATOM 360 CG HIS A 27 -9.762 4.510 -2.807 1.00 0.00 C ATOM 361 ND1 HIS A 27 -10.242 3.286 -3.221 1.00 0.00 N ATOM 362 CD2 HIS A 27 -10.831 5.194 -2.337 1.00 0.00 C ATOM 363 CE1 HIS A 27 -11.545 3.233 -3.011 1.00 0.00 C ATOM 364 NE2 HIS A 27 -11.927 4.379 -2.475 1.00 0.00 N ATOM 0 H HIS A 27 -8.165 6.689 -4.812 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.676 6.765 -1.905 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.931 4.583 -3.875 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.752 4.359 -2.146 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -9.679 2.538 -3.626 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.823 6.194 -1.930 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.188 2.396 -3.239 1.00 0.00 H new ATOM 372 N HIS A 28 -5.860 7.115 -3.423 1.00 0.00 N ATOM 373 CA HIS A 28 -4.440 7.400 -3.251 1.00 0.00 C ATOM 374 C HIS A 28 -4.215 8.353 -2.081 1.00 0.00 C ATOM 375 O HIS A 28 -3.338 8.130 -1.247 1.00 0.00 O ATOM 376 CB HIS A 28 -3.861 8.002 -4.532 1.00 0.00 C ATOM 377 CG HIS A 28 -3.530 6.980 -5.576 1.00 0.00 C ATOM 378 ND1 HIS A 28 -2.496 7.132 -6.476 1.00 0.00 N ATOM 379 CD2 HIS A 28 -4.100 5.785 -5.859 1.00 0.00 C ATOM 380 CE1 HIS A 28 -2.447 6.077 -7.269 1.00 0.00 C ATOM 381 NE2 HIS A 28 -3.409 5.244 -6.915 1.00 0.00 N ATOM 0 H HIS A 28 -6.217 7.299 -4.361 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.930 6.461 -3.036 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.576 8.713 -4.945 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -2.960 8.563 -4.285 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.942 5.340 -5.349 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.740 5.922 -8.071 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.606 4.345 -7.355 1.00 0.00 H new ATOM 389 N ARG A 29 -5.012 9.415 -2.028 1.00 0.00 N ATOM 390 CA ARG A 29 -4.898 10.403 -0.961 1.00 0.00 C ATOM 391 C ARG A 29 -5.065 9.748 0.407 1.00 0.00 C ATOM 392 O ARG A 29 -4.323 10.044 1.344 1.00 0.00 O ATOM 393 CB ARG A 29 -5.944 11.505 -1.143 1.00 0.00 C ATOM 394 CG ARG A 29 -7.367 10.982 -1.241 1.00 0.00 C ATOM 395 CD ARG A 29 -8.291 11.999 -1.894 1.00 0.00 C ATOM 396 NE ARG A 29 -8.459 13.193 -1.071 1.00 0.00 N ATOM 397 CZ ARG A 29 -9.110 13.202 0.087 1.00 0.00 C ATOM 398 NH1 ARG A 29 -9.651 12.086 0.555 1.00 0.00 N ATOM 399 NH2 ARG A 29 -9.221 14.329 0.779 1.00 0.00 N ATOM 0 H ARG A 29 -5.743 9.614 -2.711 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.903 10.844 -1.014 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.878 12.199 -0.305 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.711 12.071 -2.045 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.377 10.057 -1.818 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.736 10.740 -0.244 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.888 12.283 -2.866 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.264 11.542 -2.073 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.054 14.068 -1.403 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.568 11.218 0.026 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.150 12.095 1.444 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.806 15.190 0.422 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.721 14.334 1.668 1.00 0.00 H new ATOM 413 N PHE A 30 -6.046 8.857 0.515 1.00 0.00 N ATOM 414 CA PHE A 30 -6.313 8.161 1.768 1.00 0.00 C ATOM 415 C PHE A 30 -5.068 7.430 2.259 1.00 0.00 C ATOM 416 O PHE A 30 -5.003 6.994 3.408 1.00 0.00 O ATOM 417 CB PHE A 30 -7.464 7.169 1.589 1.00 0.00 C ATOM 418 CG PHE A 30 -8.821 7.810 1.641 1.00 0.00 C ATOM 419 CD1 PHE A 30 -9.380 8.373 0.505 1.00 0.00 C ATOM 420 CD2 PHE A 30 -9.540 7.848 2.826 1.00 0.00 C ATOM 421 CE1 PHE A 30 -10.628 8.965 0.550 1.00 0.00 C ATOM 422 CE2 PHE A 30 -10.788 8.437 2.877 1.00 0.00 C ATOM 423 CZ PHE A 30 -11.334 8.995 1.737 1.00 0.00 C ATOM 0 H PHE A 30 -6.669 8.600 -0.251 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.595 8.903 2.515 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.348 6.659 0.633 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.401 6.407 2.366 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.834 8.349 -0.427 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.119 7.412 3.720 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.051 9.404 -0.342 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.337 8.461 3.807 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.311 9.454 1.774 1.00 0.00 H new ATOM 433 N VAL A 31 -4.079 7.301 1.381 1.00 0.00 N ATOM 434 CA VAL A 31 -2.835 6.623 1.724 1.00 0.00 C ATOM 435 C VAL A 31 -1.753 7.624 2.113 1.00 0.00 C ATOM 436 O VAL A 31 -0.909 7.343 2.964 1.00 0.00 O ATOM 437 CB VAL A 31 -2.323 5.760 0.554 1.00 0.00 C ATOM 438 CG1 VAL A 31 -1.093 4.969 0.972 1.00 0.00 C ATOM 439 CG2 VAL A 31 -3.422 4.833 0.058 1.00 0.00 C ATOM 0 H VAL A 31 -4.115 7.657 0.426 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.052 5.977 2.574 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.038 6.420 -0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.746 4.366 0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.304 5.657 1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.347 4.317 1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.044 4.230 -0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.739 4.178 0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.271 5.425 -0.283 1.00 0.00 H new ATOM 449 N ILE A 32 -1.784 8.794 1.484 1.00 0.00 N ATOM 450 CA ILE A 32 -0.807 9.839 1.765 1.00 0.00 C ATOM 451 C ILE A 32 -1.090 10.511 3.105 1.00 0.00 C ATOM 452 O ILE A 32 -0.172 10.829 3.859 1.00 0.00 O ATOM 453 CB ILE A 32 -0.793 10.910 0.660 1.00 0.00 C ATOM 454 CG1 ILE A 32 -0.506 10.269 -0.699 1.00 0.00 C ATOM 455 CG2 ILE A 32 0.239 11.983 0.973 1.00 0.00 C ATOM 456 CD1 ILE A 32 -0.859 11.155 -1.873 1.00 0.00 C ATOM 0 H ILE A 32 -2.475 9.042 0.776 1.00 0.00 H new ATOM 0 HA ILE A 32 0.169 9.355 1.802 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.776 11.380 0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.552 10.012 -0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.065 9.337 -0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.236 12.733 0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.006 12.457 1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.228 11.529 1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.629 10.635 -2.803 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.923 11.392 -1.843 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.280 12.077 -1.820 1.00 0.00 H new ATOM 468 N GLY A 33 -2.371 10.722 3.395 1.00 0.00 N ATOM 469 CA GLY A 33 -2.753 11.352 4.645 1.00 0.00 C ATOM 470 C GLY A 33 -3.413 12.701 4.436 1.00 0.00 C ATOM 471 O GLY A 33 -3.391 13.248 3.333 1.00 0.00 O ATOM 0 H GLY A 33 -3.150 10.468 2.787 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.436 10.696 5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.869 11.476 5.271 1.00 0.00 H new ATOM 475 N LYS A 34 -4.003 13.241 5.497 1.00 0.00 N ATOM 476 CA LYS A 34 -4.673 14.534 5.425 1.00 0.00 C ATOM 477 C LYS A 34 -3.702 15.626 4.987 1.00 0.00 C ATOM 478 O LYS A 34 -3.998 16.404 4.082 1.00 0.00 O ATOM 479 CB LYS A 34 -5.280 14.892 6.784 1.00 0.00 C ATOM 480 CG LYS A 34 -6.391 13.953 7.220 1.00 0.00 C ATOM 481 CD LYS A 34 -7.680 14.224 6.463 1.00 0.00 C ATOM 482 CE LYS A 34 -8.332 15.521 6.916 1.00 0.00 C ATOM 483 NZ LYS A 34 -9.736 15.635 6.434 1.00 0.00 N ATOM 0 H LYS A 34 -4.031 12.803 6.418 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.470 14.462 4.685 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.493 14.884 7.538 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.671 15.909 6.742 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.082 12.921 7.055 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.566 14.067 8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.471 14.275 5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.372 13.396 6.614 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.317 15.574 8.005 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.752 16.367 6.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.145 16.533 6.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.749 15.610 5.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.296 14.842 6.806 1.00 0.00 H new ATOM 497 N ASN A 35 -2.543 15.675 5.634 1.00 0.00 N ATOM 498 CA ASN A 35 -1.529 16.671 5.310 1.00 0.00 C ATOM 499 C ASN A 35 -0.307 16.017 4.671 1.00 0.00 C ATOM 500 O ASN A 35 0.484 16.676 3.999 1.00 0.00 O ATOM 501 CB ASN A 35 -1.111 17.434 6.568 1.00 0.00 C ATOM 502 CG ASN A 35 -2.300 17.854 7.411 1.00 0.00 C ATOM 503 OD1 ASN A 35 -2.887 18.914 7.193 1.00 0.00 O ATOM 504 ND2 ASN A 35 -2.663 17.020 8.379 1.00 0.00 N ATOM 0 H ASN A 35 -2.282 15.037 6.386 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.961 17.371 4.595 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.448 16.808 7.166 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.542 18.318 6.281 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.457 17.248 8.977 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.148 16.152 8.524 1.00 0.00 H new ATOM 511 N GLY A 36 -0.161 14.713 4.886 1.00 0.00 N ATOM 512 CA GLY A 36 0.965 13.990 4.325 1.00 0.00 C ATOM 513 C GLY A 36 1.774 13.265 5.383 1.00 0.00 C ATOM 514 O GLY A 36 3.001 13.360 5.407 1.00 0.00 O ATOM 0 H GLY A 36 -0.803 14.145 5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.601 13.269 3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.611 14.687 3.792 1.00 0.00 H new ATOM 518 N GLU A 37 1.086 12.541 6.259 1.00 0.00 N ATOM 519 CA GLU A 37 1.750 11.801 7.326 1.00 0.00 C ATOM 520 C GLU A 37 1.430 10.311 7.234 1.00 0.00 C ATOM 521 O GLU A 37 2.176 9.472 7.740 1.00 0.00 O ATOM 522 CB GLU A 37 1.326 12.341 8.692 1.00 0.00 C ATOM 523 CG GLU A 37 1.079 13.840 8.705 1.00 0.00 C ATOM 524 CD GLU A 37 1.328 14.461 10.064 1.00 0.00 C ATOM 525 OE1 GLU A 37 2.501 14.751 10.380 1.00 0.00 O ATOM 526 OE2 GLU A 37 0.349 14.658 10.815 1.00 0.00 O ATOM 0 H GLU A 37 0.070 12.451 6.251 1.00 0.00 H new ATOM 0 HA GLU A 37 2.826 11.933 7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.418 11.829 9.009 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.098 12.102 9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.725 14.317 7.968 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.051 14.037 8.403 1.00 0.00 H new ATOM 533 N LYS A 38 0.316 9.990 6.585 1.00 0.00 N ATOM 534 CA LYS A 38 -0.104 8.602 6.426 1.00 0.00 C ATOM 535 C LYS A 38 0.911 7.818 5.599 1.00 0.00 C ATOM 536 O LYS A 38 1.098 6.618 5.802 1.00 0.00 O ATOM 537 CB LYS A 38 -1.480 8.539 5.759 1.00 0.00 C ATOM 538 CG LYS A 38 -2.155 7.184 5.885 1.00 0.00 C ATOM 539 CD LYS A 38 -2.552 6.890 7.322 1.00 0.00 C ATOM 540 CE LYS A 38 -3.151 5.499 7.462 1.00 0.00 C ATOM 541 NZ LYS A 38 -3.162 5.040 8.878 1.00 0.00 N ATOM 0 H LYS A 38 -0.313 10.672 6.160 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.165 8.150 7.416 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.124 9.299 6.201 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.374 8.786 4.703 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.040 7.157 5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.481 6.406 5.526 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.678 6.977 7.967 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.273 7.634 7.661 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.169 5.501 7.073 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.580 4.795 6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.578 4.088 8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.188 5.013 9.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.728 5.697 9.452 1.00 0.00 H new ATOM 555 N LEU A 39 1.564 8.504 4.666 1.00 0.00 N ATOM 556 CA LEU A 39 2.560 7.872 3.809 1.00 0.00 C ATOM 557 C LEU A 39 3.907 7.776 4.521 1.00 0.00 C ATOM 558 O LEU A 39 4.572 6.742 4.471 1.00 0.00 O ATOM 559 CB LEU A 39 2.714 8.658 2.507 1.00 0.00 C ATOM 560 CG LEU A 39 4.048 8.497 1.778 1.00 0.00 C ATOM 561 CD1 LEU A 39 4.126 7.137 1.102 1.00 0.00 C ATOM 562 CD2 LEU A 39 4.239 9.611 0.761 1.00 0.00 C ATOM 0 H LEU A 39 1.421 9.497 4.485 1.00 0.00 H new ATOM 0 HA LEU A 39 2.218 6.863 3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.914 8.359 1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.568 9.716 2.726 1.00 0.00 H new ATOM 0 HG LEU A 39 4.851 8.562 2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.082 7.040 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.037 6.352 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.315 7.043 0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.194 9.479 0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.431 9.579 0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.229 10.574 1.271 1.00 0.00 H new ATOM 574 N GLN A 40 4.299 8.860 5.181 1.00 0.00 N ATOM 575 CA GLN A 40 5.566 8.896 5.904 1.00 0.00 C ATOM 576 C GLN A 40 5.568 7.890 7.049 1.00 0.00 C ATOM 577 O GLN A 40 6.593 7.277 7.349 1.00 0.00 O ATOM 578 CB GLN A 40 5.829 10.302 6.445 1.00 0.00 C ATOM 579 CG GLN A 40 5.255 10.538 7.833 1.00 0.00 C ATOM 580 CD GLN A 40 5.608 11.904 8.386 1.00 0.00 C ATOM 581 OE1 GLN A 40 5.671 12.889 7.649 1.00 0.00 O ATOM 582 NE2 GLN A 40 5.842 11.972 9.692 1.00 0.00 N ATOM 0 H GLN A 40 3.759 9.724 5.231 1.00 0.00 H new ATOM 0 HA GLN A 40 6.360 8.628 5.207 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.905 10.477 6.471 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.404 11.032 5.756 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.171 10.434 7.796 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.626 9.769 8.511 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.779 11.131 10.266 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.085 12.865 10.121 1.00 0.00 H new ATOM 591 N ASP A 41 4.414 7.724 7.687 1.00 0.00 N ATOM 592 CA ASP A 41 4.283 6.790 8.800 1.00 0.00 C ATOM 593 C ASP A 41 4.274 5.348 8.303 1.00 0.00 C ATOM 594 O ASP A 41 4.817 4.453 8.950 1.00 0.00 O ATOM 595 CB ASP A 41 3.003 7.080 9.587 1.00 0.00 C ATOM 596 CG ASP A 41 3.101 6.635 11.033 1.00 0.00 C ATOM 597 OD1 ASP A 41 3.752 5.601 11.293 1.00 0.00 O ATOM 598 OD2 ASP A 41 2.525 7.320 11.905 1.00 0.00 O ATOM 0 H ASP A 41 3.556 8.224 7.453 1.00 0.00 H new ATOM 0 HA ASP A 41 5.143 6.922 9.457 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.792 8.149 9.552 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.164 6.574 9.110 1.00 0.00 H new ATOM 603 N LEU A 42 3.651 5.131 7.149 1.00 0.00 N ATOM 604 CA LEU A 42 3.570 3.796 6.563 1.00 0.00 C ATOM 605 C LEU A 42 4.942 3.323 6.096 1.00 0.00 C ATOM 606 O LEU A 42 5.393 2.239 6.464 1.00 0.00 O ATOM 607 CB LEU A 42 2.589 3.792 5.390 1.00 0.00 C ATOM 608 CG LEU A 42 1.132 3.479 5.735 1.00 0.00 C ATOM 609 CD1 LEU A 42 0.231 3.747 4.539 1.00 0.00 C ATOM 610 CD2 LEU A 42 0.992 2.037 6.198 1.00 0.00 C ATOM 0 H LEU A 42 3.195 5.861 6.601 1.00 0.00 H new ATOM 0 HA LEU A 42 3.212 3.110 7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.626 4.769 4.908 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.933 3.062 4.657 1.00 0.00 H new ATOM 0 HG LEU A 42 0.823 4.133 6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.802 3.519 4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.309 4.796 4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.539 3.119 3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.051 1.832 6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.319 1.366 5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.607 1.878 7.084 1.00 0.00 H new ATOM 622 N GLU A 43 5.600 4.143 5.283 1.00 0.00 N ATOM 623 CA GLU A 43 6.922 3.807 4.766 1.00 0.00 C ATOM 624 C GLU A 43 7.863 3.403 5.898 1.00 0.00 C ATOM 625 O GLU A 43 8.748 2.567 5.716 1.00 0.00 O ATOM 626 CB GLU A 43 7.511 4.993 3.998 1.00 0.00 C ATOM 627 CG GLU A 43 7.094 5.041 2.539 1.00 0.00 C ATOM 628 CD GLU A 43 7.856 6.086 1.748 1.00 0.00 C ATOM 629 OE1 GLU A 43 9.103 6.096 1.827 1.00 0.00 O ATOM 630 OE2 GLU A 43 7.207 6.893 1.050 1.00 0.00 O ATOM 0 H GLU A 43 5.240 5.044 4.968 1.00 0.00 H new ATOM 0 HA GLU A 43 6.814 2.961 4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.205 5.919 4.485 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.599 4.948 4.055 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.253 4.062 2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.026 5.251 2.477 1.00 0.00 H new ATOM 637 N LEU A 44 7.665 4.004 7.067 1.00 0.00 N ATOM 638 CA LEU A 44 8.494 3.708 8.229 1.00 0.00 C ATOM 639 C LEU A 44 8.041 2.419 8.909 1.00 0.00 C ATOM 640 O LEU A 44 8.788 1.443 8.974 1.00 0.00 O ATOM 641 CB LEU A 44 8.444 4.868 9.225 1.00 0.00 C ATOM 642 CG LEU A 44 9.349 6.060 8.913 1.00 0.00 C ATOM 643 CD1 LEU A 44 9.293 7.081 10.038 1.00 0.00 C ATOM 644 CD2 LEU A 44 10.780 5.597 8.682 1.00 0.00 C ATOM 0 H LEU A 44 6.937 4.699 7.234 1.00 0.00 H new ATOM 0 HA LEU A 44 9.520 3.575 7.887 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.416 5.224 9.286 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.708 4.486 10.211 1.00 0.00 H new ATOM 0 HG LEU A 44 8.990 6.535 8.000 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.943 7.922 9.798 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.269 7.436 10.157 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.626 6.618 10.967 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.410 6.459 8.461 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.150 5.097 9.577 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.807 4.903 7.842 1.00 0.00 H new ATOM 656 N LYS A 45 6.810 2.423 9.409 1.00 0.00 N ATOM 657 CA LYS A 45 6.254 1.254 10.081 1.00 0.00 C ATOM 658 C LYS A 45 6.512 -0.013 9.271 1.00 0.00 C ATOM 659 O LYS A 45 6.679 -1.097 9.830 1.00 0.00 O ATOM 660 CB LYS A 45 4.750 1.434 10.300 1.00 0.00 C ATOM 661 CG LYS A 45 4.139 0.387 11.216 1.00 0.00 C ATOM 662 CD LYS A 45 2.795 0.840 11.762 1.00 0.00 C ATOM 663 CE LYS A 45 1.717 0.804 10.690 1.00 0.00 C ATOM 664 NZ LYS A 45 0.385 1.193 11.229 1.00 0.00 N ATOM 0 H LYS A 45 6.178 3.222 9.362 1.00 0.00 H new ATOM 0 HA LYS A 45 6.747 1.153 11.048 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.568 2.423 10.721 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.244 1.400 9.335 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.014 -0.548 10.669 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.819 0.184 12.043 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.504 0.198 12.594 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.884 1.852 12.156 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.990 1.477 9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.659 -0.199 10.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.322 1.156 10.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.112 0.536 11.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.433 2.160 11.610 1.00 0.00 H new ATOM 678 N THR A 46 6.544 0.131 7.950 1.00 0.00 N ATOM 679 CA THR A 46 6.783 -1.000 7.063 1.00 0.00 C ATOM 680 C THR A 46 8.215 -1.001 6.544 1.00 0.00 C ATOM 681 O THR A 46 8.728 -2.032 6.111 1.00 0.00 O ATOM 682 CB THR A 46 5.815 -0.988 5.865 1.00 0.00 C ATOM 683 OG1 THR A 46 6.234 -0.010 4.907 1.00 0.00 O ATOM 684 CG2 THR A 46 4.395 -0.685 6.318 1.00 0.00 C ATOM 0 H THR A 46 6.407 1.021 7.471 1.00 0.00 H new ATOM 0 HA THR A 46 6.613 -1.902 7.650 1.00 0.00 H new ATOM 0 HB THR A 46 5.829 -1.976 5.406 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.032 0.887 5.246 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.730 -0.682 5.454 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.068 -1.448 7.025 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.368 0.292 6.800 1.00 0.00 H new ATOM 692 N ALA A 47 8.858 0.161 6.594 1.00 0.00 N ATOM 693 CA ALA A 47 10.234 0.294 6.132 1.00 0.00 C ATOM 694 C ALA A 47 10.349 -0.037 4.648 1.00 0.00 C ATOM 695 O ALA A 47 11.321 -0.652 4.211 1.00 0.00 O ATOM 696 CB ALA A 47 11.153 -0.604 6.947 1.00 0.00 C ATOM 0 H ALA A 47 8.448 1.024 6.950 1.00 0.00 H new ATOM 0 HA ALA A 47 10.539 1.331 6.271 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.178 -0.495 6.591 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.101 -0.319 7.998 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.839 -1.642 6.836 1.00 0.00 H new ATOM 702 N THR A 48 9.348 0.375 3.876 1.00 0.00 N ATOM 703 CA THR A 48 9.336 0.121 2.440 1.00 0.00 C ATOM 704 C THR A 48 9.426 1.423 1.651 1.00 0.00 C ATOM 705 O THR A 48 9.414 2.511 2.225 1.00 0.00 O ATOM 706 CB THR A 48 8.065 -0.637 2.015 1.00 0.00 C ATOM 707 OG1 THR A 48 6.902 0.122 2.362 1.00 0.00 O ATOM 708 CG2 THR A 48 8.001 -2.004 2.679 1.00 0.00 C ATOM 0 H THR A 48 8.535 0.886 4.221 1.00 0.00 H new ATOM 0 HA THR A 48 10.208 -0.495 2.220 1.00 0.00 H new ATOM 0 HB THR A 48 8.098 -0.777 0.935 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.828 0.180 3.338 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.094 -2.520 2.363 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.872 -2.591 2.388 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.990 -1.882 3.762 1.00 0.00 H new ATOM 716 N LYS A 49 9.514 1.303 0.331 1.00 0.00 N ATOM 717 CA LYS A 49 9.604 2.470 -0.539 1.00 0.00 C ATOM 718 C LYS A 49 8.331 2.633 -1.363 1.00 0.00 C ATOM 719 O LYS A 49 8.237 2.132 -2.485 1.00 0.00 O ATOM 720 CB LYS A 49 10.813 2.347 -1.469 1.00 0.00 C ATOM 721 CG LYS A 49 11.125 3.622 -2.233 1.00 0.00 C ATOM 722 CD LYS A 49 11.733 4.681 -1.328 1.00 0.00 C ATOM 723 CE LYS A 49 13.189 4.374 -1.013 1.00 0.00 C ATOM 724 NZ LYS A 49 13.674 5.142 0.168 1.00 0.00 N ATOM 0 H LYS A 49 9.525 0.409 -0.160 1.00 0.00 H new ATOM 0 HA LYS A 49 9.725 3.352 0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.686 2.063 -0.881 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.633 1.542 -2.181 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.814 3.399 -3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.212 4.009 -2.685 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.661 5.657 -1.808 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.163 4.740 -0.401 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.303 3.307 -0.824 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.806 4.612 -1.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.670 4.905 0.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.589 6.161 -0.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.102 4.896 1.001 1.00 0.00 H new ATOM 738 N ILE A 50 7.354 3.338 -0.801 1.00 0.00 N ATOM 739 CA ILE A 50 6.089 3.569 -1.486 1.00 0.00 C ATOM 740 C ILE A 50 6.229 4.655 -2.548 1.00 0.00 C ATOM 741 O ILE A 50 6.846 5.693 -2.311 1.00 0.00 O ATOM 742 CB ILE A 50 4.980 3.974 -0.497 1.00 0.00 C ATOM 743 CG1 ILE A 50 4.787 2.885 0.561 1.00 0.00 C ATOM 744 CG2 ILE A 50 3.677 4.235 -1.240 1.00 0.00 C ATOM 745 CD1 ILE A 50 3.965 3.335 1.748 1.00 0.00 C ATOM 0 H ILE A 50 7.415 3.759 0.126 1.00 0.00 H new ATOM 0 HA ILE A 50 5.813 2.630 -1.965 1.00 0.00 H new ATOM 0 HB ILE A 50 5.280 4.894 0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.304 2.024 0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.764 2.553 0.911 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.903 4.520 -0.528 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.823 5.041 -1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.371 3.331 -1.766 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.869 2.513 2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.458 4.177 2.234 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.975 3.640 1.410 1.00 0.00 H new ATOM 757 N GLN A 51 5.649 4.407 -3.718 1.00 0.00 N ATOM 758 CA GLN A 51 5.708 5.365 -4.818 1.00 0.00 C ATOM 759 C GLN A 51 4.317 5.630 -5.384 1.00 0.00 C ATOM 760 O GLN A 51 3.686 4.736 -5.948 1.00 0.00 O ATOM 761 CB GLN A 51 6.631 4.849 -5.922 1.00 0.00 C ATOM 762 CG GLN A 51 7.180 5.946 -6.818 1.00 0.00 C ATOM 763 CD GLN A 51 8.266 6.762 -6.145 1.00 0.00 C ATOM 764 OE1 GLN A 51 8.009 7.846 -5.621 1.00 0.00 O ATOM 765 NE2 GLN A 51 9.488 6.244 -6.155 1.00 0.00 N ATOM 0 H GLN A 51 5.134 3.553 -3.929 1.00 0.00 H new ATOM 0 HA GLN A 51 6.107 6.302 -4.430 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.464 4.313 -5.467 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.085 4.131 -6.534 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.578 5.500 -7.729 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.366 6.607 -7.116 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.656 5.342 -6.601 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.259 6.748 -5.717 1.00 0.00 H new ATOM 774 N ILE A 52 3.846 6.863 -5.228 1.00 0.00 N ATOM 775 CA ILE A 52 2.531 7.245 -5.724 1.00 0.00 C ATOM 776 C ILE A 52 2.644 8.103 -6.980 1.00 0.00 C ATOM 777 O ILE A 52 3.295 9.148 -6.991 1.00 0.00 O ATOM 778 CB ILE A 52 1.730 8.018 -4.659 1.00 0.00 C ATOM 779 CG1 ILE A 52 1.465 7.128 -3.444 1.00 0.00 C ATOM 780 CG2 ILE A 52 0.420 8.526 -5.246 1.00 0.00 C ATOM 781 CD1 ILE A 52 0.904 7.879 -2.257 1.00 0.00 C ATOM 0 H ILE A 52 4.356 7.614 -4.762 1.00 0.00 H new ATOM 0 HA ILE A 52 2.005 6.321 -5.964 1.00 0.00 H new ATOM 0 HB ILE A 52 2.318 8.877 -4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.768 6.339 -3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.395 6.642 -3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.135 9.070 -4.481 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.630 9.191 -6.084 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.175 7.681 -5.594 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.741 7.186 -1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.609 8.651 -1.948 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.043 8.343 -2.534 1.00 0.00 H new ATOM 793 N PRO A 53 1.996 7.653 -8.065 1.00 0.00 N ATOM 794 CA PRO A 53 2.007 8.365 -9.346 1.00 0.00 C ATOM 795 C PRO A 53 1.216 9.668 -9.293 1.00 0.00 C ATOM 796 O PRO A 53 0.167 9.741 -8.652 1.00 0.00 O ATOM 797 CB PRO A 53 1.344 7.376 -10.308 1.00 0.00 C ATOM 798 CG PRO A 53 0.483 6.524 -9.441 1.00 0.00 C ATOM 799 CD PRO A 53 1.201 6.415 -8.124 1.00 0.00 C ATOM 0 HA PRO A 53 3.015 8.657 -9.641 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.755 7.894 -11.064 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.087 6.779 -10.837 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.503 6.970 -9.312 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.333 5.540 -9.886 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.502 6.346 -7.290 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.834 5.529 -8.084 1.00 0.00 H new ATOM 807 N ARG A 54 1.725 10.691 -9.969 1.00 0.00 N ATOM 808 CA ARG A 54 1.066 11.992 -9.998 1.00 0.00 C ATOM 809 C ARG A 54 -0.410 11.845 -10.354 1.00 0.00 C ATOM 810 O ARG A 54 -0.835 10.855 -10.950 1.00 0.00 O ATOM 811 CB ARG A 54 1.755 12.915 -11.003 1.00 0.00 C ATOM 812 CG ARG A 54 2.982 13.618 -10.445 1.00 0.00 C ATOM 813 CD ARG A 54 3.599 14.557 -11.468 1.00 0.00 C ATOM 814 NE ARG A 54 4.416 13.843 -12.445 1.00 0.00 N ATOM 815 CZ ARG A 54 5.042 14.437 -13.455 1.00 0.00 C ATOM 816 NH1 ARG A 54 4.945 15.749 -13.620 1.00 0.00 N ATOM 817 NH2 ARG A 54 5.767 13.718 -14.303 1.00 0.00 N ATOM 0 H ARG A 54 2.592 10.645 -10.505 1.00 0.00 H new ATOM 0 HA ARG A 54 1.140 12.431 -9.003 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.047 12.333 -11.877 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.041 13.665 -11.343 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.706 14.181 -9.553 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.720 12.876 -10.139 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.808 15.100 -11.985 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.212 15.298 -10.956 1.00 0.00 H new ATOM 0 HE ARG A 54 4.511 12.832 -12.347 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.389 16.305 -12.971 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.427 16.202 -14.396 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.844 12.708 -14.180 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.247 14.175 -15.078 1.00 0.00 H new ATOM 831 N PRO A 55 -1.213 12.853 -9.980 1.00 0.00 N ATOM 832 CA PRO A 55 -2.654 12.859 -10.249 1.00 0.00 C ATOM 833 C PRO A 55 -2.965 13.031 -11.732 1.00 0.00 C ATOM 834 O PRO A 55 -4.090 12.794 -12.171 1.00 0.00 O ATOM 835 CB PRO A 55 -3.158 14.066 -9.453 1.00 0.00 C ATOM 836 CG PRO A 55 -1.976 14.965 -9.340 1.00 0.00 C ATOM 837 CD PRO A 55 -0.775 14.064 -9.266 1.00 0.00 C ATOM 0 HA PRO A 55 -3.126 11.918 -9.967 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.984 14.560 -9.964 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.524 13.768 -8.471 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.910 15.633 -10.199 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.047 15.594 -8.452 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.097 14.516 -9.739 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.500 13.845 -8.234 1.00 0.00 H new ATOM 845 N ASP A 56 -1.963 13.445 -12.499 1.00 0.00 N ATOM 846 CA ASP A 56 -2.129 13.647 -13.933 1.00 0.00 C ATOM 847 C ASP A 56 -1.705 12.405 -14.709 1.00 0.00 C ATOM 848 O ASP A 56 -2.173 12.168 -15.824 1.00 0.00 O ATOM 849 CB ASP A 56 -1.316 14.857 -14.398 1.00 0.00 C ATOM 850 CG ASP A 56 -1.387 16.013 -13.418 1.00 0.00 C ATOM 851 OD1 ASP A 56 -0.758 15.919 -12.343 1.00 0.00 O ATOM 852 OD2 ASP A 56 -2.071 17.010 -13.726 1.00 0.00 O ATOM 0 H ASP A 56 -1.026 13.648 -12.151 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.185 13.833 -14.128 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.275 14.562 -14.533 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.683 15.186 -15.370 1.00 0.00 H new ATOM 857 N ASP A 57 -0.816 11.617 -14.115 1.00 0.00 N ATOM 858 CA ASP A 57 -0.329 10.398 -14.751 1.00 0.00 C ATOM 859 C ASP A 57 -1.424 9.339 -14.808 1.00 0.00 C ATOM 860 O ASP A 57 -2.207 9.170 -13.872 1.00 0.00 O ATOM 861 CB ASP A 57 0.885 9.854 -13.997 1.00 0.00 C ATOM 862 CG ASP A 57 1.813 9.056 -14.892 1.00 0.00 C ATOM 863 OD1 ASP A 57 2.352 9.638 -15.856 1.00 0.00 O ATOM 864 OD2 ASP A 57 1.999 7.850 -14.628 1.00 0.00 O ATOM 0 H ASP A 57 -0.418 11.800 -13.194 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.034 10.644 -15.771 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.436 10.684 -13.555 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.546 9.223 -13.175 1.00 0.00 H new ATOM 869 N PRO A 58 -1.485 8.609 -15.931 1.00 0.00 N ATOM 870 CA PRO A 58 -2.481 7.554 -16.137 1.00 0.00 C ATOM 871 C PRO A 58 -2.234 6.340 -15.246 1.00 0.00 C ATOM 872 O PRO A 58 -2.955 5.346 -15.322 1.00 0.00 O ATOM 873 CB PRO A 58 -2.303 7.179 -17.610 1.00 0.00 C ATOM 874 CG PRO A 58 -0.894 7.548 -17.927 1.00 0.00 C ATOM 875 CD PRO A 58 -0.585 8.756 -17.087 1.00 0.00 C ATOM 0 HA PRO A 58 -3.487 7.891 -15.887 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.480 6.116 -17.772 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.006 7.719 -18.244 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.214 6.728 -17.696 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.778 7.770 -18.988 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.461 8.776 -16.781 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.776 9.682 -17.630 1.00 0.00 H new ATOM 883 N SER A 59 -1.211 6.431 -14.402 1.00 0.00 N ATOM 884 CA SER A 59 -0.867 5.340 -13.499 1.00 0.00 C ATOM 885 C SER A 59 -1.526 5.534 -12.136 1.00 0.00 C ATOM 886 O SER A 59 -1.212 6.477 -11.412 1.00 0.00 O ATOM 887 CB SER A 59 0.651 5.244 -13.334 1.00 0.00 C ATOM 888 OG SER A 59 1.245 4.605 -14.450 1.00 0.00 O ATOM 0 H SER A 59 -0.606 7.249 -14.325 1.00 0.00 H new ATOM 0 HA SER A 59 -1.237 4.412 -13.934 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.071 6.243 -13.217 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.887 4.690 -12.425 1.00 0.00 H new ATOM 0 HG SER A 59 2.215 4.557 -14.321 1.00 0.00 H new ATOM 894 N ASN A 60 -2.442 4.633 -11.795 1.00 0.00 N ATOM 895 CA ASN A 60 -3.147 4.705 -10.520 1.00 0.00 C ATOM 896 C ASN A 60 -2.782 3.521 -9.629 1.00 0.00 C ATOM 897 O ASN A 60 -3.514 3.183 -8.700 1.00 0.00 O ATOM 898 CB ASN A 60 -4.659 4.737 -10.751 1.00 0.00 C ATOM 899 CG ASN A 60 -5.160 3.502 -11.474 1.00 0.00 C ATOM 900 OD1 ASN A 60 -4.714 3.192 -12.579 1.00 0.00 O ATOM 901 ND2 ASN A 60 -6.093 2.789 -10.853 1.00 0.00 N ATOM 0 H ASN A 60 -2.713 3.845 -12.383 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.844 5.623 -10.016 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.169 4.825 -9.791 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.916 5.623 -11.331 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.468 1.948 -11.291 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.434 3.083 -9.938 1.00 0.00 H new ATOM 908 N GLN A 61 -1.646 2.896 -9.922 1.00 0.00 N ATOM 909 CA GLN A 61 -1.185 1.749 -9.148 1.00 0.00 C ATOM 910 C GLN A 61 0.047 2.109 -8.323 1.00 0.00 C ATOM 911 O GLN A 61 1.073 2.516 -8.869 1.00 0.00 O ATOM 912 CB GLN A 61 -0.867 0.575 -10.076 1.00 0.00 C ATOM 913 CG GLN A 61 0.196 0.891 -11.114 1.00 0.00 C ATOM 914 CD GLN A 61 0.244 -0.133 -12.231 1.00 0.00 C ATOM 915 OE1 GLN A 61 0.329 0.218 -13.408 1.00 0.00 O ATOM 916 NE2 GLN A 61 0.190 -1.410 -11.867 1.00 0.00 N ATOM 0 H GLN A 61 -1.029 3.164 -10.689 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.984 1.458 -8.466 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.536 -0.273 -9.476 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.780 0.268 -10.585 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.003 1.876 -11.538 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.170 0.939 -10.628 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.120 -1.656 -10.880 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.219 -2.144 -12.575 1.00 0.00 H new ATOM 925 N ILE A 62 -0.063 1.959 -7.009 1.00 0.00 N ATOM 926 CA ILE A 62 1.041 2.268 -6.109 1.00 0.00 C ATOM 927 C ILE A 62 2.116 1.187 -6.168 1.00 0.00 C ATOM 928 O ILE A 62 1.831 0.027 -6.464 1.00 0.00 O ATOM 929 CB ILE A 62 0.559 2.418 -4.654 1.00 0.00 C ATOM 930 CG1 ILE A 62 -0.171 3.749 -4.471 1.00 0.00 C ATOM 931 CG2 ILE A 62 1.734 2.315 -3.693 1.00 0.00 C ATOM 932 CD1 ILE A 62 -0.871 3.876 -3.136 1.00 0.00 C ATOM 0 H ILE A 62 -0.906 1.625 -6.542 1.00 0.00 H new ATOM 0 HA ILE A 62 1.463 3.217 -6.442 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.138 1.610 -4.432 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.545 4.564 -4.576 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.904 3.865 -5.269 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.377 2.423 -2.669 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.215 1.344 -3.809 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.453 3.104 -3.912 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.367 4.845 -3.076 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.611 3.082 -3.036 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.139 3.793 -2.332 1.00 0.00 H new ATOM 944 N LYS A 63 3.354 1.576 -5.882 1.00 0.00 N ATOM 945 CA LYS A 63 4.474 0.640 -5.899 1.00 0.00 C ATOM 946 C LYS A 63 5.059 0.468 -4.501 1.00 0.00 C ATOM 947 O LYS A 63 5.319 1.448 -3.801 1.00 0.00 O ATOM 948 CB LYS A 63 5.558 1.129 -6.861 1.00 0.00 C ATOM 949 CG LYS A 63 6.728 0.170 -6.997 1.00 0.00 C ATOM 950 CD LYS A 63 7.932 0.844 -7.634 1.00 0.00 C ATOM 951 CE LYS A 63 8.780 -0.150 -8.413 1.00 0.00 C ATOM 952 NZ LYS A 63 10.101 0.424 -8.791 1.00 0.00 N ATOM 0 H LYS A 63 3.608 2.533 -5.636 1.00 0.00 H new ATOM 0 HA LYS A 63 4.104 -0.327 -6.240 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.114 1.289 -7.844 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.929 2.095 -6.517 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.002 -0.212 -6.014 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.429 -0.687 -7.600 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.595 1.638 -8.301 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.539 1.314 -6.860 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.932 -1.047 -7.812 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.246 -0.456 -9.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.649 -0.284 -9.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.957 1.265 -9.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.621 0.693 -7.932 1.00 0.00 H new ATOM 966 N ILE A 64 5.266 -0.783 -4.101 1.00 0.00 N ATOM 967 CA ILE A 64 5.823 -1.081 -2.788 1.00 0.00 C ATOM 968 C ILE A 64 7.032 -2.004 -2.901 1.00 0.00 C ATOM 969 O ILE A 64 6.917 -3.145 -3.349 1.00 0.00 O ATOM 970 CB ILE A 64 4.776 -1.736 -1.868 1.00 0.00 C ATOM 971 CG1 ILE A 64 3.744 -2.503 -2.698 1.00 0.00 C ATOM 972 CG2 ILE A 64 4.095 -0.682 -1.007 1.00 0.00 C ATOM 973 CD1 ILE A 64 2.760 -3.289 -1.861 1.00 0.00 C ATOM 0 H ILE A 64 5.056 -1.605 -4.667 1.00 0.00 H new ATOM 0 HA ILE A 64 6.133 -0.131 -2.353 1.00 0.00 H new ATOM 0 HB ILE A 64 5.282 -2.443 -1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.196 -1.798 -3.323 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.265 -3.186 -3.369 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.358 -1.160 -0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.840 -0.176 -0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.598 0.046 -1.648 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.059 -3.807 -2.515 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.298 -4.018 -1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.213 -2.609 -1.208 1.00 0.00 H new ATOM 985 N THR A 65 8.193 -1.503 -2.490 1.00 0.00 N ATOM 986 CA THR A 65 9.423 -2.281 -2.544 1.00 0.00 C ATOM 987 C THR A 65 10.037 -2.437 -1.158 1.00 0.00 C ATOM 988 O THR A 65 9.937 -1.542 -0.320 1.00 0.00 O ATOM 989 CB THR A 65 10.458 -1.631 -3.482 1.00 0.00 C ATOM 990 OG1 THR A 65 9.887 -1.431 -4.779 1.00 0.00 O ATOM 991 CG2 THR A 65 11.703 -2.499 -3.599 1.00 0.00 C ATOM 0 H THR A 65 8.306 -0.561 -2.116 1.00 0.00 H new ATOM 0 HA THR A 65 9.158 -3.264 -2.933 1.00 0.00 H new ATOM 0 HB THR A 65 10.744 -0.668 -3.059 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.551 -1.016 -5.368 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.419 -2.020 -4.266 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.153 -2.625 -2.614 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.430 -3.475 -4.001 1.00 0.00 H new ATOM 999 N GLY A 66 10.674 -3.580 -0.922 1.00 0.00 N ATOM 1000 CA GLY A 66 11.296 -3.831 0.364 1.00 0.00 C ATOM 1001 C GLY A 66 11.374 -5.309 0.691 1.00 0.00 C ATOM 1002 O GLY A 66 11.524 -6.145 -0.201 1.00 0.00 O ATOM 0 H GLY A 66 10.770 -4.337 -1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.300 -3.408 0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.732 -3.319 1.143 1.00 0.00 H new ATOM 1006 N THR A 67 11.277 -5.636 1.976 1.00 0.00 N ATOM 1007 CA THR A 67 11.340 -7.023 2.420 1.00 0.00 C ATOM 1008 C THR A 67 9.987 -7.710 2.273 1.00 0.00 C ATOM 1009 O THR A 67 8.940 -7.068 2.360 1.00 0.00 O ATOM 1010 CB THR A 67 11.797 -7.123 3.887 1.00 0.00 C ATOM 1011 OG1 THR A 67 10.826 -6.514 4.746 1.00 0.00 O ATOM 1012 CG2 THR A 67 13.147 -6.448 4.081 1.00 0.00 C ATOM 0 H THR A 67 11.154 -4.958 2.728 1.00 0.00 H new ATOM 0 HA THR A 67 12.070 -7.525 1.785 1.00 0.00 H new ATOM 0 HB THR A 67 11.896 -8.178 4.142 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.124 -6.584 5.677 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.449 -6.532 5.125 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.890 -6.933 3.448 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.070 -5.395 3.809 1.00 0.00 H new ATOM 1020 N LYS A 68 10.015 -9.019 2.051 1.00 0.00 N ATOM 1021 CA LYS A 68 8.791 -9.796 1.893 1.00 0.00 C ATOM 1022 C LYS A 68 7.783 -9.449 2.985 1.00 0.00 C ATOM 1023 O LYS A 68 6.574 -9.502 2.765 1.00 0.00 O ATOM 1024 CB LYS A 68 9.103 -11.293 1.929 1.00 0.00 C ATOM 1025 CG LYS A 68 8.114 -12.140 1.148 1.00 0.00 C ATOM 1026 CD LYS A 68 8.440 -12.153 -0.337 1.00 0.00 C ATOM 1027 CE LYS A 68 9.524 -13.169 -0.661 1.00 0.00 C ATOM 1028 NZ LYS A 68 9.587 -13.468 -2.118 1.00 0.00 N ATOM 0 H LYS A 68 10.873 -9.565 1.976 1.00 0.00 H new ATOM 0 HA LYS A 68 8.354 -9.547 0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.104 -11.457 1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.116 -11.628 2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.124 -13.160 1.532 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.106 -11.753 1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.540 -12.386 -0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.766 -11.160 -0.648 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.489 -12.789 -0.326 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.335 -14.090 -0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.338 -14.165 -2.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.674 -13.854 -2.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.793 -12.594 -2.643 1.00 0.00 H new ATOM 1042 N GLU A 69 8.290 -9.096 4.162 1.00 0.00 N ATOM 1043 CA GLU A 69 7.433 -8.740 5.287 1.00 0.00 C ATOM 1044 C GLU A 69 7.007 -7.278 5.206 1.00 0.00 C ATOM 1045 O GLU A 69 5.839 -6.947 5.403 1.00 0.00 O ATOM 1046 CB GLU A 69 8.158 -9.001 6.610 1.00 0.00 C ATOM 1047 CG GLU A 69 8.539 -10.456 6.819 1.00 0.00 C ATOM 1048 CD GLU A 69 7.348 -11.328 7.166 1.00 0.00 C ATOM 1049 OE1 GLU A 69 6.969 -11.368 8.355 1.00 0.00 O ATOM 1050 OE2 GLU A 69 6.795 -11.970 6.249 1.00 0.00 O ATOM 0 H GLU A 69 9.289 -9.049 4.361 1.00 0.00 H new ATOM 0 HA GLU A 69 6.539 -9.362 5.242 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.059 -8.389 6.647 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.520 -8.679 7.433 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.012 -10.837 5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.278 -10.523 7.617 1.00 0.00 H new ATOM 1057 N GLY A 70 7.966 -6.403 4.915 1.00 0.00 N ATOM 1058 CA GLY A 70 7.672 -4.986 4.814 1.00 0.00 C ATOM 1059 C GLY A 70 6.571 -4.692 3.815 1.00 0.00 C ATOM 1060 O GLY A 70 5.534 -4.130 4.171 1.00 0.00 O ATOM 0 H GLY A 70 8.941 -6.651 4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.380 -4.608 5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.575 -4.451 4.522 1.00 0.00 H new ATOM 1064 N ILE A 71 6.795 -5.070 2.561 1.00 0.00 N ATOM 1065 CA ILE A 71 5.813 -4.844 1.508 1.00 0.00 C ATOM 1066 C ILE A 71 4.443 -5.380 1.909 1.00 0.00 C ATOM 1067 O ILE A 71 3.426 -4.711 1.725 1.00 0.00 O ATOM 1068 CB ILE A 71 6.243 -5.505 0.186 1.00 0.00 C ATOM 1069 CG1 ILE A 71 7.605 -4.968 -0.260 1.00 0.00 C ATOM 1070 CG2 ILE A 71 5.195 -5.266 -0.892 1.00 0.00 C ATOM 1071 CD1 ILE A 71 8.234 -5.769 -1.378 1.00 0.00 C ATOM 0 H ILE A 71 7.648 -5.534 2.250 1.00 0.00 H new ATOM 0 HA ILE A 71 5.750 -3.766 1.362 1.00 0.00 H new ATOM 0 HB ILE A 71 6.332 -6.579 0.347 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.490 -3.934 -0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.281 -4.960 0.595 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.514 -5.740 -1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.243 -5.693 -0.575 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.077 -4.195 -1.053 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.197 -5.331 -1.642 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.381 -6.798 -1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.578 -5.756 -2.248 1.00 0.00 H new ATOM 1083 N GLU A 72 4.424 -6.589 2.460 1.00 0.00 N ATOM 1084 CA GLU A 72 3.178 -7.214 2.888 1.00 0.00 C ATOM 1085 C GLU A 72 2.408 -6.299 3.835 1.00 0.00 C ATOM 1086 O GLU A 72 1.207 -6.085 3.670 1.00 0.00 O ATOM 1087 CB GLU A 72 3.463 -8.552 3.575 1.00 0.00 C ATOM 1088 CG GLU A 72 3.719 -9.692 2.604 1.00 0.00 C ATOM 1089 CD GLU A 72 2.442 -10.254 2.012 1.00 0.00 C ATOM 1090 OE1 GLU A 72 1.943 -9.678 1.022 1.00 0.00 O ATOM 1091 OE2 GLU A 72 1.940 -11.269 2.537 1.00 0.00 O ATOM 0 H GLU A 72 5.257 -7.155 2.621 1.00 0.00 H new ATOM 0 HA GLU A 72 2.567 -7.390 2.003 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.330 -8.439 4.226 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.617 -8.811 4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.364 -9.340 1.799 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.257 -10.488 3.118 1.00 0.00 H new ATOM 1098 N LYS A 73 3.108 -5.759 4.826 1.00 0.00 N ATOM 1099 CA LYS A 73 2.492 -4.865 5.801 1.00 0.00 C ATOM 1100 C LYS A 73 1.865 -3.658 5.110 1.00 0.00 C ATOM 1101 O LYS A 73 0.712 -3.314 5.367 1.00 0.00 O ATOM 1102 CB LYS A 73 3.530 -4.398 6.823 1.00 0.00 C ATOM 1103 CG LYS A 73 3.730 -5.370 7.973 1.00 0.00 C ATOM 1104 CD LYS A 73 4.910 -4.970 8.843 1.00 0.00 C ATOM 1105 CE LYS A 73 4.606 -3.723 9.657 1.00 0.00 C ATOM 1106 NZ LYS A 73 3.650 -4.002 10.764 1.00 0.00 N ATOM 0 H LYS A 73 4.103 -5.924 4.976 1.00 0.00 H new ATOM 0 HA LYS A 73 1.706 -5.416 6.317 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.483 -4.246 6.317 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.224 -3.432 7.224 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.826 -5.408 8.580 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.891 -6.373 7.579 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.163 -5.791 9.514 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.783 -4.792 8.215 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.533 -3.324 10.070 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.191 -2.955 9.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.598 -3.176 11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.708 -4.195 10.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.975 -4.830 11.303 1.00 0.00 H new ATOM 1120 N ALA A 74 2.632 -3.019 4.232 1.00 0.00 N ATOM 1121 CA ALA A 74 2.150 -1.853 3.503 1.00 0.00 C ATOM 1122 C ALA A 74 0.986 -2.220 2.587 1.00 0.00 C ATOM 1123 O ALA A 74 0.048 -1.441 2.418 1.00 0.00 O ATOM 1124 CB ALA A 74 3.280 -1.229 2.698 1.00 0.00 C ATOM 0 H ALA A 74 3.590 -3.290 4.009 1.00 0.00 H new ATOM 0 HA ALA A 74 1.791 -1.124 4.230 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.905 -0.359 2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.080 -0.921 3.372 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.666 -1.959 1.986 1.00 0.00 H new ATOM 1130 N ARG A 75 1.053 -3.410 2.001 1.00 0.00 N ATOM 1131 CA ARG A 75 0.006 -3.880 1.102 1.00 0.00 C ATOM 1132 C ARG A 75 -1.270 -4.200 1.874 1.00 0.00 C ATOM 1133 O ARG A 75 -2.377 -3.929 1.407 1.00 0.00 O ATOM 1134 CB ARG A 75 0.477 -5.118 0.338 1.00 0.00 C ATOM 1135 CG ARG A 75 -0.148 -5.257 -1.040 1.00 0.00 C ATOM 1136 CD ARG A 75 -0.253 -6.715 -1.460 1.00 0.00 C ATOM 1137 NE ARG A 75 -0.957 -6.870 -2.730 1.00 0.00 N ATOM 1138 CZ ARG A 75 -1.225 -8.048 -3.283 1.00 0.00 C ATOM 1139 NH1 ARG A 75 -0.850 -9.168 -2.680 1.00 0.00 N ATOM 1140 NH2 ARG A 75 -1.870 -8.107 -4.441 1.00 0.00 N ATOM 0 H ARG A 75 1.822 -4.067 2.133 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.211 -3.084 0.390 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.561 -5.080 0.234 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.245 -6.007 0.925 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.140 -4.806 -1.038 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.450 -4.710 -1.769 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.747 -7.140 -1.546 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.774 -7.279 -0.686 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.260 -6.028 -3.219 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.355 -9.126 -1.789 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.057 -10.071 -3.107 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.160 -7.248 -4.907 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.075 -9.012 -4.865 1.00 0.00 H new ATOM 1154 N HIS A 76 -1.108 -4.781 3.060 1.00 0.00 N ATOM 1155 CA HIS A 76 -2.247 -5.139 3.897 1.00 0.00 C ATOM 1156 C HIS A 76 -2.958 -3.890 4.411 1.00 0.00 C ATOM 1157 O HIS A 76 -4.155 -3.919 4.694 1.00 0.00 O ATOM 1158 CB HIS A 76 -1.791 -6.001 5.075 1.00 0.00 C ATOM 1159 CG HIS A 76 -2.917 -6.670 5.800 1.00 0.00 C ATOM 1160 ND1 HIS A 76 -3.566 -7.787 5.316 1.00 0.00 N ATOM 1161 CD2 HIS A 76 -3.508 -6.376 6.980 1.00 0.00 C ATOM 1162 CE1 HIS A 76 -4.508 -8.149 6.166 1.00 0.00 C ATOM 1163 NE2 HIS A 76 -4.494 -7.310 7.186 1.00 0.00 N ATOM 0 H HIS A 76 -0.200 -5.013 3.462 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.948 -5.710 3.288 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.101 -6.762 4.711 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -1.237 -5.378 5.777 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.252 -5.559 7.638 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.177 -8.989 6.048 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.114 -7.349 7.995 1.00 0.00 H new ATOM 1171 N GLU A 77 -2.211 -2.797 4.531 1.00 0.00 N ATOM 1172 CA GLU A 77 -2.771 -1.539 5.013 1.00 0.00 C ATOM 1173 C GLU A 77 -3.450 -0.776 3.880 1.00 0.00 C ATOM 1174 O GLU A 77 -4.569 -0.285 4.030 1.00 0.00 O ATOM 1175 CB GLU A 77 -1.674 -0.674 5.639 1.00 0.00 C ATOM 1176 CG GLU A 77 -1.142 -1.222 6.952 1.00 0.00 C ATOM 1177 CD GLU A 77 -2.214 -1.320 8.020 1.00 0.00 C ATOM 1178 OE1 GLU A 77 -2.977 -2.309 8.006 1.00 0.00 O ATOM 1179 OE2 GLU A 77 -2.288 -0.409 8.871 1.00 0.00 O ATOM 0 H GLU A 77 -1.218 -2.757 4.302 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.519 -1.771 5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.849 -0.581 4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.065 0.330 5.806 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.712 -2.209 6.782 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.336 -0.581 7.309 1.00 0.00 H new ATOM 1186 N VAL A 78 -2.766 -0.681 2.744 1.00 0.00 N ATOM 1187 CA VAL A 78 -3.302 0.021 1.584 1.00 0.00 C ATOM 1188 C VAL A 78 -4.539 -0.684 1.039 1.00 0.00 C ATOM 1189 O VAL A 78 -5.511 -0.040 0.642 1.00 0.00 O ATOM 1190 CB VAL A 78 -2.254 0.135 0.462 1.00 0.00 C ATOM 1191 CG1 VAL A 78 -2.220 -1.139 -0.369 1.00 0.00 C ATOM 1192 CG2 VAL A 78 -2.541 1.345 -0.414 1.00 0.00 C ATOM 0 H VAL A 78 -1.839 -1.082 2.602 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.575 1.022 1.918 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.273 0.269 0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.473 -1.040 -1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.963 -1.984 0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.199 -1.308 -0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.790 1.410 -1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.529 1.244 -0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.509 2.250 0.193 1.00 0.00 H new ATOM 1202 N LEU A 79 -4.498 -2.013 1.023 1.00 0.00 N ATOM 1203 CA LEU A 79 -5.616 -2.807 0.527 1.00 0.00 C ATOM 1204 C LEU A 79 -6.808 -2.721 1.474 1.00 0.00 C ATOM 1205 O LEU A 79 -7.959 -2.695 1.038 1.00 0.00 O ATOM 1206 CB LEU A 79 -5.192 -4.267 0.353 1.00 0.00 C ATOM 1207 CG LEU A 79 -4.514 -4.616 -0.972 1.00 0.00 C ATOM 1208 CD1 LEU A 79 -3.882 -5.997 -0.900 1.00 0.00 C ATOM 1209 CD2 LEU A 79 -5.513 -4.544 -2.117 1.00 0.00 C ATOM 0 H LEU A 79 -3.702 -2.562 1.348 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.915 -2.404 -0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.513 -4.526 1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.075 -4.896 0.463 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.725 -3.887 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.404 -6.229 -1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.136 -6.015 -0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.652 -6.739 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.013 -4.795 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.324 -5.250 -1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.919 -3.535 -2.183 1.00 0.00 H new ATOM 1221 N LEU A 80 -6.524 -2.674 2.770 1.00 0.00 N ATOM 1222 CA LEU A 80 -7.573 -2.587 3.781 1.00 0.00 C ATOM 1223 C LEU A 80 -8.331 -1.268 3.668 1.00 0.00 C ATOM 1224 O LEU A 80 -9.562 -1.250 3.636 1.00 0.00 O ATOM 1225 CB LEU A 80 -6.972 -2.725 5.181 1.00 0.00 C ATOM 1226 CG LEU A 80 -6.857 -4.149 5.725 1.00 0.00 C ATOM 1227 CD1 LEU A 80 -6.051 -4.164 7.014 1.00 0.00 C ATOM 1228 CD2 LEU A 80 -8.239 -4.747 5.951 1.00 0.00 C ATOM 0 H LEU A 80 -5.576 -2.695 3.147 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.275 -3.403 3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.977 -2.279 5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.578 -2.141 5.874 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.335 -4.758 4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.980 -5.186 7.387 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.050 -3.777 6.822 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.544 -3.540 7.759 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.138 -5.761 6.338 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.786 -4.137 6.670 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.783 -4.772 5.007 1.00 0.00 H new ATOM 1240 N ILE A 81 -7.588 -0.168 3.603 1.00 0.00 N ATOM 1241 CA ILE A 81 -8.190 1.154 3.490 1.00 0.00 C ATOM 1242 C ILE A 81 -9.026 1.270 2.220 1.00 0.00 C ATOM 1243 O ILE A 81 -10.223 1.555 2.276 1.00 0.00 O ATOM 1244 CB ILE A 81 -7.120 2.261 3.490 1.00 0.00 C ATOM 1245 CG1 ILE A 81 -6.255 2.165 4.748 1.00 0.00 C ATOM 1246 CG2 ILE A 81 -7.776 3.631 3.394 1.00 0.00 C ATOM 1247 CD1 ILE A 81 -4.872 2.754 4.577 1.00 0.00 C ATOM 0 H ILE A 81 -6.568 -0.167 3.627 1.00 0.00 H new ATOM 0 HA ILE A 81 -8.835 1.283 4.359 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.478 2.125 2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.761 2.677 5.567 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -6.162 1.118 5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.007 4.404 3.395 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.353 3.694 2.471 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.439 3.778 4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.315 2.651 5.508 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.348 2.226 3.780 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.956 3.810 4.319 1.00 0.00 H new ATOM 1259 N SER A 82 -8.389 1.045 1.075 1.00 0.00 N ATOM 1260 CA SER A 82 -9.074 1.126 -0.209 1.00 0.00 C ATOM 1261 C SER A 82 -10.355 0.298 -0.196 1.00 0.00 C ATOM 1262 O SER A 82 -11.408 0.757 -0.636 1.00 0.00 O ATOM 1263 CB SER A 82 -8.153 0.645 -1.333 1.00 0.00 C ATOM 1264 OG SER A 82 -7.777 -0.708 -1.139 1.00 0.00 O ATOM 0 H SER A 82 -7.400 0.805 1.011 1.00 0.00 H new ATOM 0 HA SER A 82 -9.339 2.168 -0.386 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.659 0.751 -2.293 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.262 1.272 -1.371 1.00 0.00 H new ATOM 0 HG SER A 82 -7.105 -0.762 -0.428 1.00 0.00 H new ATOM 1270 N ALA A 83 -10.256 -0.926 0.313 1.00 0.00 N ATOM 1271 CA ALA A 83 -11.405 -1.819 0.387 1.00 0.00 C ATOM 1272 C ALA A 83 -12.541 -1.187 1.186 1.00 0.00 C ATOM 1273 O ALA A 83 -13.680 -1.131 0.724 1.00 0.00 O ATOM 1274 CB ALA A 83 -11.002 -3.150 1.004 1.00 0.00 C ATOM 0 H ALA A 83 -9.391 -1.322 0.680 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.762 -1.995 -0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.871 -3.806 1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.229 -3.616 0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.617 -2.983 2.010 1.00 0.00 H new ATOM 1280 N GLU A 84 -12.222 -0.713 2.386 1.00 0.00 N ATOM 1281 CA GLU A 84 -13.216 -0.086 3.249 1.00 0.00 C ATOM 1282 C GLU A 84 -14.021 0.958 2.481 1.00 0.00 C ATOM 1283 O GLU A 84 -15.245 1.024 2.600 1.00 0.00 O ATOM 1284 CB GLU A 84 -12.539 0.563 4.458 1.00 0.00 C ATOM 1285 CG GLU A 84 -12.361 -0.380 5.635 1.00 0.00 C ATOM 1286 CD GLU A 84 -13.674 -0.722 6.314 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -14.420 -1.564 5.774 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -13.954 -0.144 7.385 1.00 0.00 O ATOM 0 H GLU A 84 -11.283 -0.751 2.783 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.898 -0.862 3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.563 0.943 4.157 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.130 1.421 4.777 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.884 -1.298 5.291 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.688 0.075 6.362 1.00 0.00 H new ATOM 1295 N GLN A 85 -13.326 1.773 1.694 1.00 0.00 N ATOM 1296 CA GLN A 85 -13.976 2.815 0.909 1.00 0.00 C ATOM 1297 C GLN A 85 -14.993 2.214 -0.056 1.00 0.00 C ATOM 1298 O GLN A 85 -16.114 2.707 -0.177 1.00 0.00 O ATOM 1299 CB GLN A 85 -12.933 3.622 0.133 1.00 0.00 C ATOM 1300 CG GLN A 85 -11.849 4.220 1.012 1.00 0.00 C ATOM 1301 CD GLN A 85 -12.405 5.143 2.080 1.00 0.00 C ATOM 1302 OE1 GLN A 85 -13.497 5.690 1.935 1.00 0.00 O ATOM 1303 NE2 GLN A 85 -11.654 5.319 3.160 1.00 0.00 N ATOM 0 H GLN A 85 -12.313 1.732 1.583 1.00 0.00 H new ATOM 0 HA GLN A 85 -14.502 3.479 1.595 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -12.469 2.977 -0.614 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.435 4.425 -0.407 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.288 3.416 1.488 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.146 4.773 0.389 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.754 4.845 3.238 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.977 5.928 3.912 1.00 0.00 H new ATOM 1312 N ASP A 86 -14.593 1.148 -0.741 1.00 0.00 N ATOM 1313 CA ASP A 86 -15.471 0.479 -1.695 1.00 0.00 C ATOM 1314 C ASP A 86 -16.829 0.180 -1.067 1.00 0.00 C ATOM 1315 O ASP A 86 -17.873 0.457 -1.658 1.00 0.00 O ATOM 1316 CB ASP A 86 -14.827 -0.816 -2.190 1.00 0.00 C ATOM 1317 CG ASP A 86 -15.431 -1.300 -3.494 1.00 0.00 C ATOM 1318 OD1 ASP A 86 -15.827 -0.448 -4.318 1.00 0.00 O ATOM 1319 OD2 ASP A 86 -15.506 -2.531 -3.692 1.00 0.00 O ATOM 0 H ASP A 86 -13.667 0.729 -0.654 1.00 0.00 H new ATOM 0 HA ASP A 86 -15.623 1.147 -2.543 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.757 -0.658 -2.325 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.942 -1.589 -1.430 1.00 0.00 H new ATOM 1324 N LYS A 87 -16.808 -0.388 0.133 1.00 0.00 N ATOM 1325 CA LYS A 87 -18.036 -0.726 0.843 1.00 0.00 C ATOM 1326 C LYS A 87 -18.948 0.490 0.961 1.00 0.00 C ATOM 1327 O LYS A 87 -20.161 0.388 0.778 1.00 0.00 O ATOM 1328 CB LYS A 87 -17.711 -1.271 2.237 1.00 0.00 C ATOM 1329 CG LYS A 87 -18.941 -1.651 3.042 1.00 0.00 C ATOM 1330 CD LYS A 87 -18.615 -2.697 4.096 1.00 0.00 C ATOM 1331 CE LYS A 87 -19.714 -2.795 5.142 1.00 0.00 C ATOM 1332 NZ LYS A 87 -19.677 -4.096 5.866 1.00 0.00 N ATOM 0 H LYS A 87 -15.953 -0.625 0.636 1.00 0.00 H new ATOM 0 HA LYS A 87 -18.557 -1.495 0.272 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -17.069 -2.146 2.135 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -17.143 -0.521 2.788 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -19.351 -0.763 3.523 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -19.711 -2.035 2.373 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -18.479 -3.667 3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.672 -2.445 4.580 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -19.609 -1.979 5.857 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -20.685 -2.675 4.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.442 -4.123 6.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -19.803 -4.874 5.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.760 -4.200 6.346 1.00 0.00 H new ATOM 1346 N ARG A 88 -18.356 1.641 1.267 1.00 0.00 N ATOM 1347 CA ARG A 88 -19.117 2.877 1.408 1.00 0.00 C ATOM 1348 C ARG A 88 -19.971 3.134 0.170 1.00 0.00 C ATOM 1349 O ARG A 88 -21.135 3.520 0.277 1.00 0.00 O ATOM 1350 CB ARG A 88 -18.172 4.057 1.644 1.00 0.00 C ATOM 1351 CG ARG A 88 -17.235 3.860 2.824 1.00 0.00 C ATOM 1352 CD ARG A 88 -17.908 4.228 4.137 1.00 0.00 C ATOM 1353 NE ARG A 88 -17.853 5.664 4.398 1.00 0.00 N ATOM 1354 CZ ARG A 88 -16.721 6.331 4.597 1.00 0.00 C ATOM 1355 NH1 ARG A 88 -15.558 5.696 4.564 1.00 0.00 N ATOM 1356 NH2 ARG A 88 -16.752 7.638 4.828 1.00 0.00 N ATOM 0 H ARG A 88 -17.353 1.743 1.422 1.00 0.00 H new ATOM 0 HA ARG A 88 -19.778 2.772 2.268 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -17.580 4.223 0.744 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -18.763 4.958 1.807 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -16.907 2.821 2.860 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.343 4.471 2.687 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -18.948 3.904 4.114 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -17.425 3.692 4.954 1.00 0.00 H new ATOM 0 HE ARG A 88 -18.731 6.183 4.429 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.530 4.692 4.385 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -14.691 6.211 4.717 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -17.645 8.130 4.853 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.883 8.150 4.981 1.00 0.00 H new ATOM 1370 N SER A 89 -19.384 2.920 -1.002 1.00 0.00 N ATOM 1371 CA SER A 89 -20.090 3.131 -2.261 1.00 0.00 C ATOM 1372 C SER A 89 -20.996 1.947 -2.583 1.00 0.00 C ATOM 1373 O SER A 89 -20.540 0.808 -2.673 1.00 0.00 O ATOM 1374 CB SER A 89 -19.092 3.349 -3.399 1.00 0.00 C ATOM 1375 OG SER A 89 -18.351 2.169 -3.660 1.00 0.00 O ATOM 0 H SER A 89 -18.421 2.601 -1.107 1.00 0.00 H new ATOM 0 HA SER A 89 -20.710 4.021 -2.156 1.00 0.00 H new ATOM 0 HB2 SER A 89 -19.624 3.655 -4.300 1.00 0.00 H new ATOM 0 HB3 SER A 89 -18.411 4.160 -3.140 1.00 0.00 H new ATOM 0 HG SER A 89 -18.408 1.569 -2.887 1.00 0.00 H new ATOM 1381 N GLY A 90 -22.284 2.226 -2.754 1.00 0.00 N ATOM 1382 CA GLY A 90 -23.236 1.175 -3.064 1.00 0.00 C ATOM 1383 C GLY A 90 -24.431 1.181 -2.132 1.00 0.00 C ATOM 1384 O GLY A 90 -24.497 1.956 -1.178 1.00 0.00 O ATOM 0 H GLY A 90 -22.686 3.161 -2.683 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -23.580 1.292 -4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -22.737 0.208 -3.004 1.00 0.00 H new ATOM 1388 N PRO A 91 -25.406 0.301 -2.406 1.00 0.00 N ATOM 1389 CA PRO A 91 -26.623 0.191 -1.597 1.00 0.00 C ATOM 1390 C PRO A 91 -26.350 -0.396 -0.216 1.00 0.00 C ATOM 1391 O PRO A 91 -25.325 -1.041 0.003 1.00 0.00 O ATOM 1392 CB PRO A 91 -27.507 -0.756 -2.414 1.00 0.00 C ATOM 1393 CG PRO A 91 -26.551 -1.563 -3.222 1.00 0.00 C ATOM 1394 CD PRO A 91 -25.394 -0.653 -3.528 1.00 0.00 C ATOM 0 HA PRO A 91 -27.076 1.164 -1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -28.112 -1.390 -1.766 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -28.196 -0.203 -3.052 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -26.220 -2.443 -2.670 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -27.020 -1.920 -4.139 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -24.454 -1.202 -3.579 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -25.521 -0.149 -4.486 1.00 0.00 H new ATOM 1402 N SER A 92 -27.272 -0.166 0.713 1.00 0.00 N ATOM 1403 CA SER A 92 -27.129 -0.668 2.074 1.00 0.00 C ATOM 1404 C SER A 92 -27.317 -2.181 2.118 1.00 0.00 C ATOM 1405 O SER A 92 -26.471 -2.910 2.635 1.00 0.00 O ATOM 1406 CB SER A 92 -28.139 0.010 3.000 1.00 0.00 C ATOM 1407 OG SER A 92 -28.238 -0.674 4.236 1.00 0.00 O ATOM 0 H SER A 92 -28.127 0.365 0.548 1.00 0.00 H new ATOM 0 HA SER A 92 -26.121 -0.435 2.416 1.00 0.00 H new ATOM 0 HB2 SER A 92 -27.839 1.043 3.176 1.00 0.00 H new ATOM 0 HB3 SER A 92 -29.116 0.039 2.518 1.00 0.00 H new ATOM 0 HG SER A 92 -28.889 -0.219 4.810 1.00 0.00 H new ATOM 1413 N SER A 93 -28.435 -2.648 1.569 1.00 0.00 N ATOM 1414 CA SER A 93 -28.739 -4.074 1.548 1.00 0.00 C ATOM 1415 C SER A 93 -27.952 -4.781 0.448 1.00 0.00 C ATOM 1416 O SER A 93 -27.879 -4.302 -0.683 1.00 0.00 O ATOM 1417 CB SER A 93 -30.239 -4.294 1.341 1.00 0.00 C ATOM 1418 OG SER A 93 -30.667 -3.756 0.101 1.00 0.00 O ATOM 0 H SER A 93 -29.145 -2.059 1.133 1.00 0.00 H new ATOM 0 HA SER A 93 -28.447 -4.497 2.509 1.00 0.00 H new ATOM 0 HB2 SER A 93 -30.461 -5.361 1.374 1.00 0.00 H new ATOM 0 HB3 SER A 93 -30.794 -3.827 2.155 1.00 0.00 H new ATOM 0 HG SER A 93 -29.928 -3.789 -0.542 1.00 0.00 H new ATOM 1424 N GLY A 94 -27.365 -5.924 0.790 1.00 0.00 N ATOM 1425 CA GLY A 94 -26.592 -6.679 -0.178 1.00 0.00 C ATOM 1426 C GLY A 94 -25.448 -7.441 0.461 1.00 0.00 C ATOM 1427 O GLY A 94 -25.486 -7.745 1.653 1.00 0.00 O ATOM 0 H GLY A 94 -27.411 -6.340 1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -27.248 -7.380 -0.695 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -26.195 -5.999 -0.932 1.00 0.00 H new TER 1431 GLY A 94