USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 697 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 89 HIS : no HE2:sc= -1.75 K(o=-2.7,f=-5.8!) USER MOD Set 1.2: A 93 SER OG : rot 180:sc= -0.969 USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -57:sc= 0.14 USER MOD Single : A 20 GLN : amide:sc= -12.1! C(o=-12!,f=-18!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0861 K(o=-0.086,f=-0.88) USER MOD Single : A 28 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.5) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 171:sc=-0.000328 (180deg=-0.0821) USER MOD Single : A 48 HIS : no HD1:sc= -1.75 X(o=-1.7,f=-1.5) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -51:sc= 0.079 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.54 USER MOD Single : A 58 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.14) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -142:sc= 0.36 USER MOD Single : A 74 HIS : no HE2:sc= -0.336! C(o=-0.34!,f=-4.7!) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.0551 F(o=-0.76,f=-0.055) USER MOD Single : A 79 HIS : no HE2:sc= -11.1! C(o=-11!,f=-14!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -3.5 K(o=-3.5,f=-12!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0858) USER MOD ----------------------------------------------------------------- ATOM 89 N ASP A 10 -6.354 17.411 -3.244 1.00 0.00 N ATOM 90 CA ASP A 10 -6.298 16.595 -4.452 1.00 0.00 C ATOM 91 C ASP A 10 -6.136 15.119 -4.103 1.00 0.00 C ATOM 92 O ASP A 10 -5.343 14.409 -4.721 1.00 0.00 O ATOM 93 CB ASP A 10 -5.145 17.051 -5.347 1.00 0.00 C ATOM 94 CG ASP A 10 -5.236 18.521 -5.706 1.00 0.00 C ATOM 95 OD1 ASP A 10 -6.360 18.998 -5.971 1.00 0.00 O ATOM 96 OD2 ASP A 10 -4.185 19.194 -5.724 1.00 0.00 O ATOM 0 HA ASP A 10 -7.237 16.721 -4.991 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.199 16.862 -4.840 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.141 16.457 -6.261 1.00 0.00 H new ATOM 101 N ALA A 11 -6.892 14.664 -3.109 1.00 0.00 N ATOM 102 CA ALA A 11 -6.833 13.273 -2.680 1.00 0.00 C ATOM 103 C ALA A 11 -7.407 12.344 -3.744 1.00 0.00 C ATOM 104 O ALA A 11 -7.005 11.186 -3.854 1.00 0.00 O ATOM 105 CB ALA A 11 -7.576 13.095 -1.364 1.00 0.00 C ATOM 0 H ALA A 11 -7.552 15.239 -2.586 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.786 13.009 -2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.524 12.051 -1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.118 13.723 -0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.619 13.384 -1.493 1.00 0.00 H new ATOM 111 N ARG A 12 -8.350 12.860 -4.526 1.00 0.00 N ATOM 112 CA ARG A 12 -8.982 12.076 -5.581 1.00 0.00 C ATOM 113 C ARG A 12 -8.143 12.105 -6.855 1.00 0.00 C ATOM 114 O ARG A 12 -8.561 11.598 -7.896 1.00 0.00 O ATOM 115 CB ARG A 12 -10.386 12.608 -5.870 1.00 0.00 C ATOM 116 CG ARG A 12 -10.394 13.945 -6.592 1.00 0.00 C ATOM 117 CD ARG A 12 -11.669 14.134 -7.400 1.00 0.00 C ATOM 118 NE ARG A 12 -12.825 14.392 -6.546 1.00 0.00 N ATOM 119 CZ ARG A 12 -13.018 15.535 -5.896 1.00 0.00 C ATOM 120 NH1 ARG A 12 -12.137 16.519 -6.003 1.00 0.00 N ATOM 121 NH2 ARG A 12 -14.096 15.694 -5.138 1.00 0.00 N ATOM 0 H ARG A 12 -8.693 13.817 -4.449 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.056 11.044 -5.238 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.926 11.877 -6.472 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.928 12.709 -4.930 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.299 14.752 -5.866 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.530 14.008 -7.254 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.539 14.964 -8.094 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.853 13.243 -8.000 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.522 13.655 -6.443 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.308 16.400 -6.585 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.288 17.395 -5.503 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.776 14.939 -5.054 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.244 16.571 -4.639 1.00 0.00 H new ATOM 135 N ARG A 13 -6.959 12.701 -6.765 1.00 0.00 N ATOM 136 CA ARG A 13 -6.062 12.797 -7.911 1.00 0.00 C ATOM 137 C ARG A 13 -4.812 11.950 -7.695 1.00 0.00 C ATOM 138 O ARG A 13 -3.690 12.421 -7.884 1.00 0.00 O ATOM 139 CB ARG A 13 -5.668 14.255 -8.156 1.00 0.00 C ATOM 140 CG ARG A 13 -6.623 14.998 -9.076 1.00 0.00 C ATOM 141 CD ARG A 13 -6.653 16.486 -8.763 1.00 0.00 C ATOM 142 NE ARG A 13 -6.976 17.286 -9.941 1.00 0.00 N ATOM 143 CZ ARG A 13 -6.139 17.471 -10.956 1.00 0.00 C ATOM 144 NH1 ARG A 13 -4.936 16.914 -10.937 1.00 0.00 N ATOM 145 NH2 ARG A 13 -6.505 18.213 -11.993 1.00 0.00 N ATOM 0 H ARG A 13 -6.598 13.125 -5.910 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.589 12.418 -8.787 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.620 14.775 -7.199 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.667 14.285 -8.585 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.321 14.849 -10.113 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.626 14.583 -8.973 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.389 16.677 -7.982 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.684 16.794 -8.370 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.895 17.727 -9.987 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.651 16.342 -10.142 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.295 17.057 -11.717 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.430 18.642 -12.012 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.861 18.354 -12.772 1.00 0.00 H new ATOM 159 N LEU A 14 -5.013 10.698 -7.299 1.00 0.00 N ATOM 160 CA LEU A 14 -3.902 9.784 -7.057 1.00 0.00 C ATOM 161 C LEU A 14 -4.204 8.399 -7.620 1.00 0.00 C ATOM 162 O LEU A 14 -5.173 7.752 -7.221 1.00 0.00 O ATOM 163 CB LEU A 14 -3.613 9.687 -5.558 1.00 0.00 C ATOM 164 CG LEU A 14 -2.673 10.748 -4.985 1.00 0.00 C ATOM 165 CD1 LEU A 14 -3.404 12.070 -4.810 1.00 0.00 C ATOM 166 CD2 LEU A 14 -2.087 10.281 -3.660 1.00 0.00 C ATOM 0 H LEU A 14 -5.935 10.292 -7.139 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.022 10.178 -7.565 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.560 9.742 -5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.187 8.705 -5.353 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.854 10.899 -5.689 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.719 12.813 -4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.775 12.411 -5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.242 11.935 -4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.420 11.048 -3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.893 10.101 -2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.527 9.359 -3.815 1.00 0.00 H new ATOM 178 N THR A 15 -3.366 7.948 -8.548 1.00 0.00 N ATOM 179 CA THR A 15 -3.542 6.639 -9.165 1.00 0.00 C ATOM 180 C THR A 15 -2.641 5.597 -8.512 1.00 0.00 C ATOM 181 O THR A 15 -1.520 5.900 -8.104 1.00 0.00 O ATOM 182 CB THR A 15 -3.243 6.685 -10.675 1.00 0.00 C ATOM 183 OG1 THR A 15 -3.617 7.959 -11.210 1.00 0.00 O ATOM 184 CG2 THR A 15 -3.990 5.581 -11.409 1.00 0.00 C ATOM 0 H THR A 15 -2.559 8.470 -8.889 1.00 0.00 H new ATOM 0 HA THR A 15 -4.585 6.358 -9.017 1.00 0.00 H new ATOM 0 HB THR A 15 -2.173 6.533 -10.816 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.422 7.981 -12.170 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.763 5.634 -12.474 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.680 4.611 -11.020 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.062 5.706 -11.260 1.00 0.00 H new ATOM 192 N VAL A 16 -3.138 4.368 -8.415 1.00 0.00 N ATOM 193 CA VAL A 16 -2.377 3.281 -7.813 1.00 0.00 C ATOM 194 C VAL A 16 -1.927 2.275 -8.867 1.00 0.00 C ATOM 195 O VAL A 16 -2.726 1.815 -9.682 1.00 0.00 O ATOM 196 CB VAL A 16 -3.201 2.547 -6.738 1.00 0.00 C ATOM 197 CG1 VAL A 16 -2.385 1.426 -6.112 1.00 0.00 C ATOM 198 CG2 VAL A 16 -3.681 3.525 -5.676 1.00 0.00 C ATOM 0 H VAL A 16 -4.065 4.101 -8.746 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.501 3.730 -7.345 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.076 2.104 -7.215 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.984 0.919 -5.355 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.095 0.712 -6.883 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.491 1.842 -5.648 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.261 2.990 -4.924 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.821 3.998 -5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.305 4.289 -6.140 1.00 0.00 H new ATOM 208 N MET A 17 -0.642 1.938 -8.844 1.00 0.00 N ATOM 209 CA MET A 17 -0.085 0.984 -9.797 1.00 0.00 C ATOM 210 C MET A 17 0.542 -0.204 -9.074 1.00 0.00 C ATOM 211 O MET A 17 0.655 -0.208 -7.849 1.00 0.00 O ATOM 212 CB MET A 17 0.959 1.667 -10.683 1.00 0.00 C ATOM 213 CG MET A 17 0.380 2.747 -11.582 1.00 0.00 C ATOM 214 SD MET A 17 -0.392 2.076 -13.066 1.00 0.00 S ATOM 215 CE MET A 17 -1.341 3.489 -13.623 1.00 0.00 C ATOM 0 H MET A 17 0.033 2.311 -8.177 1.00 0.00 H new ATOM 0 HA MET A 17 -0.898 0.617 -10.423 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.729 2.107 -10.050 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.447 0.914 -11.302 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.357 3.323 -11.023 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.172 3.438 -11.870 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.877 3.230 -14.536 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.056 3.774 -12.851 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.669 4.324 -13.821 1.00 0.00 H new ATOM 225 N SER A 18 0.949 -1.210 -9.842 1.00 0.00 N ATOM 226 CA SER A 18 1.561 -2.405 -9.274 1.00 0.00 C ATOM 227 C SER A 18 0.834 -2.837 -8.004 1.00 0.00 C ATOM 228 O SER A 18 1.461 -3.207 -7.010 1.00 0.00 O ATOM 229 CB SER A 18 3.039 -2.151 -8.967 1.00 0.00 C ATOM 230 OG SER A 18 3.730 -3.367 -8.742 1.00 0.00 O ATOM 0 H SER A 18 0.866 -1.221 -10.859 1.00 0.00 H new ATOM 0 HA SER A 18 1.482 -3.207 -10.008 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.499 -1.616 -9.798 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.126 -1.512 -8.089 1.00 0.00 H new ATOM 0 HG SER A 18 3.302 -3.856 -8.009 1.00 0.00 H new ATOM 236 N LEU A 19 -0.493 -2.788 -8.044 1.00 0.00 N ATOM 237 CA LEU A 19 -1.308 -3.174 -6.898 1.00 0.00 C ATOM 238 C LEU A 19 -1.934 -4.548 -7.113 1.00 0.00 C ATOM 239 O LEU A 19 -2.254 -4.925 -8.240 1.00 0.00 O ATOM 240 CB LEU A 19 -2.403 -2.135 -6.652 1.00 0.00 C ATOM 241 CG LEU A 19 -3.377 -2.441 -5.514 1.00 0.00 C ATOM 242 CD1 LEU A 19 -2.757 -2.087 -4.171 1.00 0.00 C ATOM 243 CD2 LEU A 19 -4.685 -1.690 -5.714 1.00 0.00 C ATOM 0 H LEU A 19 -1.027 -2.485 -8.858 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.660 -3.223 -6.023 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.927 -1.176 -6.447 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.976 -2.016 -7.572 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.590 -3.510 -5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.465 -2.312 -3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.848 -2.671 -4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.513 -1.025 -4.151 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.366 -1.920 -4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.490 -0.618 -5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.138 -1.993 -6.658 1.00 0.00 H new ATOM 255 N GLN A 20 -2.108 -5.290 -6.024 1.00 0.00 N ATOM 256 CA GLN A 20 -2.698 -6.622 -6.094 1.00 0.00 C ATOM 257 C GLN A 20 -4.180 -6.581 -5.735 1.00 0.00 C ATOM 258 O GLN A 20 -4.631 -5.681 -5.028 1.00 0.00 O ATOM 259 CB GLN A 20 -1.960 -7.580 -5.157 1.00 0.00 C ATOM 260 CG GLN A 20 -2.699 -8.886 -4.917 1.00 0.00 C ATOM 261 CD GLN A 20 -3.765 -8.766 -3.845 1.00 0.00 C ATOM 262 OE1 GLN A 20 -4.133 -7.663 -3.440 1.00 0.00 O ATOM 263 NE2 GLN A 20 -4.267 -9.903 -3.379 1.00 0.00 N ATOM 0 H GLN A 20 -1.849 -4.992 -5.084 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.601 -6.981 -7.119 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.978 -7.800 -5.576 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.795 -7.084 -4.200 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.161 -9.214 -5.848 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.984 -9.656 -4.628 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.933 -10.795 -3.743 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.987 -9.884 -2.657 1.00 0.00 H new ATOM 272 N GLU A 21 -4.930 -7.561 -6.228 1.00 0.00 N ATOM 273 CA GLU A 21 -6.362 -7.635 -5.959 1.00 0.00 C ATOM 274 C GLU A 21 -6.693 -8.857 -5.108 1.00 0.00 C ATOM 275 O GLU A 21 -7.044 -8.733 -3.934 1.00 0.00 O ATOM 276 CB GLU A 21 -7.148 -7.685 -7.271 1.00 0.00 C ATOM 277 CG GLU A 21 -7.003 -6.430 -8.116 1.00 0.00 C ATOM 278 CD GLU A 21 -7.802 -6.498 -9.403 1.00 0.00 C ATOM 279 OE1 GLU A 21 -7.371 -7.215 -10.330 1.00 0.00 O ATOM 280 OE2 GLU A 21 -8.857 -5.834 -9.482 1.00 0.00 O ATOM 0 H GLU A 21 -4.571 -8.314 -6.815 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.649 -6.740 -5.406 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.814 -8.545 -7.852 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.203 -7.842 -7.047 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.328 -5.566 -7.536 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.950 -6.276 -8.354 1.00 0.00 H new ATOM 287 N SER A 22 -6.580 -10.037 -5.708 1.00 0.00 N ATOM 288 CA SER A 22 -6.871 -11.283 -5.008 1.00 0.00 C ATOM 289 C SER A 22 -5.761 -12.305 -5.232 1.00 0.00 C ATOM 290 O SER A 22 -5.998 -13.512 -5.202 1.00 0.00 O ATOM 291 CB SER A 22 -8.210 -11.855 -5.477 1.00 0.00 C ATOM 292 OG SER A 22 -8.139 -12.274 -6.829 1.00 0.00 O ATOM 0 H SER A 22 -6.289 -10.157 -6.678 1.00 0.00 H new ATOM 0 HA SER A 22 -6.930 -11.066 -3.941 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.490 -12.698 -4.846 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.990 -11.101 -5.367 1.00 0.00 H new ATOM 0 HG SER A 22 -9.006 -12.637 -7.105 1.00 0.00 H new ATOM 298 N GLY A 23 -4.547 -11.811 -5.457 1.00 0.00 N ATOM 299 CA GLY A 23 -3.418 -12.694 -5.684 1.00 0.00 C ATOM 300 C GLY A 23 -2.195 -12.288 -4.885 1.00 0.00 C ATOM 301 O GLY A 23 -1.233 -11.753 -5.437 1.00 0.00 O ATOM 0 H GLY A 23 -4.326 -10.816 -5.486 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.699 -13.713 -5.420 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.170 -12.697 -6.745 1.00 0.00 H new ATOM 305 N LEU A 24 -2.232 -12.540 -3.581 1.00 0.00 N ATOM 306 CA LEU A 24 -1.119 -12.196 -2.704 1.00 0.00 C ATOM 307 C LEU A 24 -0.352 -13.445 -2.282 1.00 0.00 C ATOM 308 O LEU A 24 -0.641 -14.550 -2.742 1.00 0.00 O ATOM 309 CB LEU A 24 -1.629 -11.455 -1.466 1.00 0.00 C ATOM 310 CG LEU A 24 -1.620 -9.928 -1.547 1.00 0.00 C ATOM 311 CD1 LEU A 24 -2.428 -9.328 -0.407 1.00 0.00 C ATOM 312 CD2 LEU A 24 -0.193 -9.402 -1.526 1.00 0.00 C ATOM 0 H LEU A 24 -3.021 -12.981 -3.108 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.442 -11.545 -3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.649 -11.782 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.024 -11.757 -0.611 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.082 -9.630 -2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.410 -8.241 -0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.458 -9.679 -0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.996 -9.634 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.206 -8.314 -1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.295 -9.710 -0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.356 -9.805 -2.377 1.00 0.00 H new ATOM 324 N LYS A 25 0.627 -13.263 -1.401 1.00 0.00 N ATOM 325 CA LYS A 25 1.435 -14.374 -0.913 1.00 0.00 C ATOM 326 C LYS A 25 1.744 -14.211 0.571 1.00 0.00 C ATOM 327 O LYS A 25 2.471 -13.300 0.968 1.00 0.00 O ATOM 328 CB LYS A 25 2.738 -14.472 -1.709 1.00 0.00 C ATOM 329 CG LYS A 25 2.542 -14.931 -3.144 1.00 0.00 C ATOM 330 CD LYS A 25 3.710 -14.521 -4.025 1.00 0.00 C ATOM 331 CE LYS A 25 3.460 -14.877 -5.483 1.00 0.00 C ATOM 332 NZ LYS A 25 3.832 -16.287 -5.781 1.00 0.00 N ATOM 0 H LYS A 25 0.880 -12.355 -1.010 1.00 0.00 H new ATOM 0 HA LYS A 25 0.864 -15.293 -1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.226 -13.497 -1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.411 -15.164 -1.204 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.430 -16.015 -3.168 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.620 -14.506 -3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.876 -13.448 -3.935 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.619 -15.014 -3.679 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.407 -14.721 -5.719 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.033 -14.207 -6.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.647 -16.490 -6.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.842 -16.429 -5.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.267 -16.928 -5.188 1.00 0.00 H new ATOM 346 N VAL A 26 1.189 -15.101 1.388 1.00 0.00 N ATOM 347 CA VAL A 26 1.408 -15.057 2.829 1.00 0.00 C ATOM 348 C VAL A 26 2.882 -15.254 3.167 1.00 0.00 C ATOM 349 O VAL A 26 3.572 -16.055 2.537 1.00 0.00 O ATOM 350 CB VAL A 26 0.578 -16.132 3.556 1.00 0.00 C ATOM 351 CG1 VAL A 26 -0.896 -15.994 3.207 1.00 0.00 C ATOM 352 CG2 VAL A 26 1.089 -17.523 3.210 1.00 0.00 C ATOM 0 H VAL A 26 0.584 -15.861 1.076 1.00 0.00 H new ATOM 0 HA VAL A 26 1.089 -14.071 3.168 1.00 0.00 H new ATOM 0 HB VAL A 26 0.687 -15.987 4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.467 -16.761 3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.251 -15.009 3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.028 -16.113 2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.492 -18.270 3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.011 -17.682 2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.131 -17.614 3.515 1.00 0.00 H new ATOM 362 N ASN A 27 3.358 -14.518 4.166 1.00 0.00 N ATOM 363 CA ASN A 27 4.750 -14.611 4.588 1.00 0.00 C ATOM 364 C ASN A 27 5.689 -14.180 3.466 1.00 0.00 C ATOM 365 O ASN A 27 6.704 -14.828 3.210 1.00 0.00 O ATOM 366 CB ASN A 27 5.078 -16.042 5.022 1.00 0.00 C ATOM 367 CG ASN A 27 4.702 -16.308 6.467 1.00 0.00 C ATOM 368 OD1 ASN A 27 4.870 -15.449 7.332 1.00 0.00 O ATOM 369 ND2 ASN A 27 4.192 -17.505 6.734 1.00 0.00 N ATOM 0 H ASN A 27 2.800 -13.851 4.698 1.00 0.00 H new ATOM 0 HA ASN A 27 4.893 -13.939 5.435 1.00 0.00 H new ATOM 0 HB2 ASN A 27 4.550 -16.744 4.377 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.144 -16.224 4.887 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.922 -17.743 7.688 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.071 -18.186 5.985 1.00 0.00 H new ATOM 376 N GLN A 28 5.344 -13.082 2.802 1.00 0.00 N ATOM 377 CA GLN A 28 6.156 -12.565 1.707 1.00 0.00 C ATOM 378 C GLN A 28 6.016 -11.051 1.593 1.00 0.00 C ATOM 379 O GLN A 28 4.929 -10.491 1.738 1.00 0.00 O ATOM 380 CB GLN A 28 5.753 -13.227 0.388 1.00 0.00 C ATOM 381 CG GLN A 28 6.467 -14.542 0.124 1.00 0.00 C ATOM 382 CD GLN A 28 6.370 -14.979 -1.325 1.00 0.00 C ATOM 383 OE1 GLN A 28 5.695 -15.957 -1.646 1.00 0.00 O ATOM 384 NE2 GLN A 28 7.045 -14.253 -2.208 1.00 0.00 N ATOM 0 H GLN A 28 4.508 -12.533 3.003 1.00 0.00 H new ATOM 0 HA GLN A 28 7.199 -12.800 1.920 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.677 -13.402 0.393 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.960 -12.540 -0.432 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.517 -14.443 0.400 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.042 -15.316 0.762 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.592 -13.450 -1.897 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.017 -14.498 -3.198 1.00 0.00 H new ATOM 393 N PRO A 29 7.141 -10.370 1.328 1.00 0.00 N ATOM 394 CA PRO A 29 7.169 -8.911 1.189 1.00 0.00 C ATOM 395 C PRO A 29 6.466 -8.435 -0.078 1.00 0.00 C ATOM 396 O PRO A 29 6.860 -8.792 -1.188 1.00 0.00 O ATOM 397 CB PRO A 29 8.664 -8.590 1.124 1.00 0.00 C ATOM 398 CG PRO A 29 9.297 -9.835 0.607 1.00 0.00 C ATOM 399 CD PRO A 29 8.471 -10.972 1.143 1.00 0.00 C ATOM 0 HA PRO A 29 6.647 -8.414 2.007 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.859 -7.744 0.465 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.055 -8.326 2.106 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.311 -9.842 -0.483 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.332 -9.914 0.939 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.440 -11.809 0.446 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.873 -11.353 2.081 1.00 0.00 H new ATOM 407 N ALA A 30 5.425 -7.628 0.096 1.00 0.00 N ATOM 408 CA ALA A 30 4.669 -7.102 -1.034 1.00 0.00 C ATOM 409 C ALA A 30 4.618 -5.578 -0.998 1.00 0.00 C ATOM 410 O ALA A 30 4.093 -4.988 -0.054 1.00 0.00 O ATOM 411 CB ALA A 30 3.262 -7.680 -1.043 1.00 0.00 C ATOM 0 H ALA A 30 5.086 -7.324 1.009 1.00 0.00 H new ATOM 0 HA ALA A 30 5.178 -7.401 -1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.709 -7.278 -1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.315 -8.766 -1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.752 -7.411 -0.118 1.00 0.00 H new ATOM 417 N SER A 31 5.166 -4.947 -2.031 1.00 0.00 N ATOM 418 CA SER A 31 5.186 -3.492 -2.115 1.00 0.00 C ATOM 419 C SER A 31 4.596 -3.016 -3.440 1.00 0.00 C ATOM 420 O SER A 31 4.781 -3.651 -4.478 1.00 0.00 O ATOM 421 CB SER A 31 6.616 -2.971 -1.964 1.00 0.00 C ATOM 422 OG SER A 31 7.472 -3.539 -2.940 1.00 0.00 O ATOM 0 H SER A 31 5.602 -5.421 -2.822 1.00 0.00 H new ATOM 0 HA SER A 31 4.576 -3.097 -1.303 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.622 -1.885 -2.058 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.989 -3.207 -0.967 1.00 0.00 H new ATOM 0 HG SER A 31 8.380 -3.188 -2.823 1.00 0.00 H new ATOM 428 N PHE A 32 3.886 -1.894 -3.395 1.00 0.00 N ATOM 429 CA PHE A 32 3.268 -1.332 -4.590 1.00 0.00 C ATOM 430 C PHE A 32 3.729 0.105 -4.816 1.00 0.00 C ATOM 431 O PHE A 32 4.283 0.739 -3.919 1.00 0.00 O ATOM 432 CB PHE A 32 1.743 -1.378 -4.471 1.00 0.00 C ATOM 433 CG PHE A 32 1.214 -0.655 -3.266 1.00 0.00 C ATOM 434 CD1 PHE A 32 1.142 0.728 -3.247 1.00 0.00 C ATOM 435 CD2 PHE A 32 0.788 -1.359 -2.151 1.00 0.00 C ATOM 436 CE1 PHE A 32 0.655 1.397 -2.140 1.00 0.00 C ATOM 437 CE2 PHE A 32 0.300 -0.697 -1.041 1.00 0.00 C ATOM 438 CZ PHE A 32 0.234 0.683 -1.035 1.00 0.00 C ATOM 0 H PHE A 32 3.724 -1.356 -2.544 1.00 0.00 H new ATOM 0 HA PHE A 32 3.577 -1.933 -5.445 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.303 -0.942 -5.368 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.421 -2.419 -4.431 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.471 1.291 -4.108 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.838 -2.438 -2.150 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.604 2.476 -2.139 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.030 -1.258 -0.179 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.146 1.203 -0.168 1.00 0.00 H new ATOM 448 N ALA A 33 3.496 0.612 -6.023 1.00 0.00 N ATOM 449 CA ALA A 33 3.885 1.974 -6.367 1.00 0.00 C ATOM 450 C ALA A 33 2.665 2.882 -6.479 1.00 0.00 C ATOM 451 O ALA A 33 1.569 2.426 -6.805 1.00 0.00 O ATOM 452 CB ALA A 33 4.674 1.984 -7.668 1.00 0.00 C ATOM 0 H ALA A 33 3.040 0.100 -6.778 1.00 0.00 H new ATOM 0 HA ALA A 33 4.518 2.358 -5.567 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.958 3.007 -7.913 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.571 1.376 -7.554 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.059 1.576 -8.470 1.00 0.00 H new ATOM 458 N ILE A 34 2.863 4.167 -6.205 1.00 0.00 N ATOM 459 CA ILE A 34 1.778 5.138 -6.275 1.00 0.00 C ATOM 460 C ILE A 34 2.112 6.265 -7.247 1.00 0.00 C ATOM 461 O ILE A 34 3.257 6.710 -7.329 1.00 0.00 O ATOM 462 CB ILE A 34 1.473 5.742 -4.892 1.00 0.00 C ATOM 463 CG1 ILE A 34 1.281 4.631 -3.857 1.00 0.00 C ATOM 464 CG2 ILE A 34 0.237 6.627 -4.961 1.00 0.00 C ATOM 465 CD1 ILE A 34 1.491 5.090 -2.431 1.00 0.00 C ATOM 0 H ILE A 34 3.764 4.560 -5.933 1.00 0.00 H new ATOM 0 HA ILE A 34 0.898 4.603 -6.631 1.00 0.00 H new ATOM 0 HB ILE A 34 2.320 6.356 -4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.274 4.225 -3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.975 3.819 -4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.034 7.047 -3.976 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.408 7.436 -5.672 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.618 6.034 -5.285 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.339 4.251 -1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.506 5.469 -2.317 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.779 5.881 -2.195 1.00 0.00 H new ATOM 477 N ARG A 35 1.103 6.724 -7.981 1.00 0.00 N ATOM 478 CA ARG A 35 1.289 7.800 -8.947 1.00 0.00 C ATOM 479 C ARG A 35 0.662 9.097 -8.443 1.00 0.00 C ATOM 480 O ARG A 35 -0.395 9.083 -7.810 1.00 0.00 O ATOM 481 CB ARG A 35 0.677 7.415 -10.295 1.00 0.00 C ATOM 482 CG ARG A 35 0.236 8.608 -11.127 1.00 0.00 C ATOM 483 CD ARG A 35 0.312 8.308 -12.615 1.00 0.00 C ATOM 484 NE ARG A 35 1.682 8.064 -13.056 1.00 0.00 N ATOM 485 CZ ARG A 35 2.009 7.761 -14.307 1.00 0.00 C ATOM 486 NH1 ARG A 35 1.069 7.666 -15.237 1.00 0.00 N ATOM 487 NH2 ARG A 35 3.280 7.553 -14.630 1.00 0.00 N ATOM 0 H ARG A 35 0.149 6.368 -7.925 1.00 0.00 H new ATOM 0 HA ARG A 35 2.360 7.960 -9.074 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.405 6.836 -10.863 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.181 6.766 -10.123 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.785 8.880 -10.861 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.866 9.467 -10.895 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.302 7.436 -12.840 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.105 9.145 -13.175 1.00 0.00 H new ATOM 0 HE ARG A 35 2.429 8.130 -12.365 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.092 7.826 -14.993 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.323 7.433 -16.197 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.006 7.626 -13.917 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.530 7.320 -15.591 1.00 0.00 H new ATOM 501 N LEU A 36 1.320 10.215 -8.728 1.00 0.00 N ATOM 502 CA LEU A 36 0.827 11.522 -8.304 1.00 0.00 C ATOM 503 C LEU A 36 0.620 12.441 -9.503 1.00 0.00 C ATOM 504 O LEU A 36 1.560 12.736 -10.241 1.00 0.00 O ATOM 505 CB LEU A 36 1.806 12.162 -7.319 1.00 0.00 C ATOM 506 CG LEU A 36 2.135 11.342 -6.070 1.00 0.00 C ATOM 507 CD1 LEU A 36 3.417 11.844 -5.425 1.00 0.00 C ATOM 508 CD2 LEU A 36 0.981 11.395 -5.079 1.00 0.00 C ATOM 0 H LEU A 36 2.196 10.244 -9.250 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.134 11.378 -7.810 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.736 12.372 -7.847 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.396 13.121 -7.002 1.00 0.00 H new ATOM 0 HG LEU A 36 2.285 10.304 -6.368 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.635 11.249 -4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.240 11.754 -6.134 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.296 12.889 -5.140 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.232 10.806 -4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.800 12.429 -4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.083 10.987 -5.544 1.00 0.00 H new ATOM 520 N ASN A 37 -0.616 12.893 -9.690 1.00 0.00 N ATOM 521 CA ASN A 37 -0.946 13.781 -10.799 1.00 0.00 C ATOM 522 C ASN A 37 -0.730 15.240 -10.410 1.00 0.00 C ATOM 523 O ASN A 37 -1.344 16.142 -10.978 1.00 0.00 O ATOM 524 CB ASN A 37 -2.396 13.566 -11.237 1.00 0.00 C ATOM 525 CG ASN A 37 -2.568 12.315 -12.076 1.00 0.00 C ATOM 526 OD1 ASN A 37 -2.609 12.379 -13.305 1.00 0.00 O ATOM 527 ND2 ASN A 37 -2.669 11.168 -11.414 1.00 0.00 N ATOM 0 H ASN A 37 -1.405 12.659 -9.088 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.284 13.544 -11.632 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.033 13.499 -10.355 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.732 14.432 -11.808 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.786 10.293 -11.925 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.630 11.162 -10.395 1.00 0.00 H new ATOM 534 N GLY A 38 0.147 15.464 -9.436 1.00 0.00 N ATOM 535 CA GLY A 38 0.428 16.815 -8.988 1.00 0.00 C ATOM 536 C GLY A 38 -0.217 17.129 -7.652 1.00 0.00 C ATOM 537 O GLY A 38 -0.579 18.274 -7.384 1.00 0.00 O ATOM 0 H GLY A 38 0.668 14.734 -8.950 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.507 16.951 -8.908 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.072 17.524 -9.735 1.00 0.00 H new ATOM 541 N ALA A 39 -0.363 16.109 -6.813 1.00 0.00 N ATOM 542 CA ALA A 39 -0.969 16.282 -5.499 1.00 0.00 C ATOM 543 C ALA A 39 0.088 16.589 -4.443 1.00 0.00 C ATOM 544 O ALA A 39 1.054 15.843 -4.281 1.00 0.00 O ATOM 545 CB ALA A 39 -1.758 15.039 -5.113 1.00 0.00 C ATOM 0 H ALA A 39 -0.070 15.154 -7.020 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.651 17.130 -5.550 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.205 15.183 -4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.545 14.865 -5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.090 14.178 -5.086 1.00 0.00 H new ATOM 551 N LYS A 40 -0.101 17.692 -3.727 1.00 0.00 N ATOM 552 CA LYS A 40 0.836 18.098 -2.686 1.00 0.00 C ATOM 553 C LYS A 40 0.183 18.027 -1.309 1.00 0.00 C ATOM 554 O LYS A 40 -0.948 18.475 -1.123 1.00 0.00 O ATOM 555 CB LYS A 40 1.339 19.519 -2.950 1.00 0.00 C ATOM 556 CG LYS A 40 0.279 20.587 -2.749 1.00 0.00 C ATOM 557 CD LYS A 40 0.746 21.940 -3.260 1.00 0.00 C ATOM 558 CE LYS A 40 0.705 22.007 -4.779 1.00 0.00 C ATOM 559 NZ LYS A 40 1.297 23.272 -5.294 1.00 0.00 N ATOM 0 H LYS A 40 -0.895 18.321 -3.848 1.00 0.00 H new ATOM 0 HA LYS A 40 1.681 17.410 -2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.181 19.726 -2.289 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.714 19.579 -3.972 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.634 20.297 -3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.033 20.662 -1.690 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.115 22.725 -2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.762 22.130 -2.914 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.246 21.157 -5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.327 21.925 -5.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.250 23.279 -6.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.765 24.083 -4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.290 23.339 -4.992 1.00 0.00 H new ATOM 573 N GLY A 41 0.904 17.461 -0.345 1.00 0.00 N ATOM 574 CA GLY A 41 0.379 17.343 1.002 1.00 0.00 C ATOM 575 C GLY A 41 1.160 16.355 1.845 1.00 0.00 C ATOM 576 O GLY A 41 2.384 16.442 1.943 1.00 0.00 O ATOM 0 H GLY A 41 1.842 17.082 -0.474 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.398 18.321 1.483 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.664 17.031 0.956 1.00 0.00 H new ATOM 580 N LYS A 42 0.452 15.411 2.456 1.00 0.00 N ATOM 581 CA LYS A 42 1.086 14.401 3.295 1.00 0.00 C ATOM 582 C LYS A 42 0.629 13.001 2.900 1.00 0.00 C ATOM 583 O LYS A 42 -0.539 12.649 3.066 1.00 0.00 O ATOM 584 CB LYS A 42 0.763 14.658 4.769 1.00 0.00 C ATOM 585 CG LYS A 42 1.743 15.597 5.452 1.00 0.00 C ATOM 586 CD LYS A 42 1.489 15.676 6.948 1.00 0.00 C ATOM 587 CE LYS A 42 0.255 16.509 7.260 1.00 0.00 C ATOM 588 NZ LYS A 42 0.154 16.828 8.712 1.00 0.00 N ATOM 0 H LYS A 42 -0.562 15.324 2.386 1.00 0.00 H new ATOM 0 HA LYS A 42 2.164 14.467 3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.241 15.076 4.845 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.753 13.707 5.301 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.762 15.254 5.273 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.660 16.592 5.015 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.362 14.671 7.350 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.357 16.110 7.443 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.287 17.435 6.686 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.637 15.969 6.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.700 17.397 8.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.098 15.945 9.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.993 17.366 9.009 1.00 0.00 H new ATOM 602 N ILE A 43 1.557 12.205 2.379 1.00 0.00 N ATOM 603 CA ILE A 43 1.249 10.843 1.963 1.00 0.00 C ATOM 604 C ILE A 43 1.387 9.868 3.128 1.00 0.00 C ATOM 605 O ILE A 43 2.496 9.555 3.561 1.00 0.00 O ATOM 606 CB ILE A 43 2.166 10.384 0.814 1.00 0.00 C ATOM 607 CG1 ILE A 43 2.016 11.316 -0.390 1.00 0.00 C ATOM 608 CG2 ILE A 43 1.847 8.949 0.422 1.00 0.00 C ATOM 609 CD1 ILE A 43 3.069 11.102 -1.455 1.00 0.00 C ATOM 0 H ILE A 43 2.529 12.480 2.235 1.00 0.00 H new ATOM 0 HA ILE A 43 0.216 10.846 1.614 1.00 0.00 H new ATOM 0 HB ILE A 43 3.200 10.425 1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.030 11.171 -0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.062 12.350 -0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.504 8.639 -0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.999 8.295 1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.809 8.883 0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.901 11.797 -2.278 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.057 11.276 -1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.009 10.079 -1.826 1.00 0.00 H new ATOM 621 N ASP A 44 0.254 9.391 3.630 1.00 0.00 N ATOM 622 CA ASP A 44 0.247 8.449 4.743 1.00 0.00 C ATOM 623 C ASP A 44 -0.397 7.128 4.333 1.00 0.00 C ATOM 624 O ASP A 44 -1.564 7.088 3.946 1.00 0.00 O ATOM 625 CB ASP A 44 -0.498 9.044 5.938 1.00 0.00 C ATOM 626 CG ASP A 44 0.383 9.948 6.778 1.00 0.00 C ATOM 627 OD1 ASP A 44 1.560 9.592 6.998 1.00 0.00 O ATOM 628 OD2 ASP A 44 -0.104 11.012 7.215 1.00 0.00 O ATOM 0 H ASP A 44 -0.672 9.641 3.284 1.00 0.00 H new ATOM 0 HA ASP A 44 1.281 8.255 5.029 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.358 9.610 5.581 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.884 8.237 6.561 1.00 0.00 H new ATOM 633 N ALA A 45 0.374 6.048 4.420 1.00 0.00 N ATOM 634 CA ALA A 45 -0.122 4.725 4.059 1.00 0.00 C ATOM 635 C ALA A 45 -0.051 3.770 5.246 1.00 0.00 C ATOM 636 O ALA A 45 0.992 3.635 5.887 1.00 0.00 O ATOM 637 CB ALA A 45 0.668 4.169 2.884 1.00 0.00 C ATOM 0 H ALA A 45 1.343 6.063 4.737 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.168 4.822 3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.288 3.181 2.625 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.563 4.835 2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.721 4.092 3.157 1.00 0.00 H new ATOM 643 N LYS A 46 -1.166 3.109 5.535 1.00 0.00 N ATOM 644 CA LYS A 46 -1.232 2.166 6.645 1.00 0.00 C ATOM 645 C LYS A 46 -2.195 1.025 6.333 1.00 0.00 C ATOM 646 O LYS A 46 -3.243 1.234 5.722 1.00 0.00 O ATOM 647 CB LYS A 46 -1.669 2.881 7.925 1.00 0.00 C ATOM 648 CG LYS A 46 -0.721 3.986 8.358 1.00 0.00 C ATOM 649 CD LYS A 46 -1.033 4.468 9.765 1.00 0.00 C ATOM 650 CE LYS A 46 -0.068 5.557 10.208 1.00 0.00 C ATOM 651 NZ LYS A 46 -0.241 6.807 9.417 1.00 0.00 N ATOM 0 H LYS A 46 -2.038 3.209 5.015 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.236 1.748 6.793 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.662 3.304 7.774 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.753 2.150 8.729 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.306 3.623 8.316 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.792 4.822 7.662 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.054 4.848 9.803 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.979 3.629 10.458 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.223 5.772 11.265 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.956 5.199 10.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.323 7.569 9.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.078 6.647 8.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.245 7.079 9.413 1.00 0.00 H new ATOM 665 N VAL A 47 -1.834 -0.182 6.757 1.00 0.00 N ATOM 666 CA VAL A 47 -2.667 -1.355 6.525 1.00 0.00 C ATOM 667 C VAL A 47 -3.566 -1.636 7.724 1.00 0.00 C ATOM 668 O VAL A 47 -3.163 -1.453 8.873 1.00 0.00 O ATOM 669 CB VAL A 47 -1.812 -2.603 6.236 1.00 0.00 C ATOM 670 CG1 VAL A 47 -1.117 -3.080 7.502 1.00 0.00 C ATOM 671 CG2 VAL A 47 -2.669 -3.709 5.639 1.00 0.00 C ATOM 0 H VAL A 47 -0.969 -0.373 7.263 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.285 -1.137 5.654 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.045 -2.336 5.509 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.518 -3.962 7.278 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.470 -2.289 7.882 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.864 -3.331 8.255 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.049 -4.583 5.441 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.459 -3.976 6.341 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.114 -3.361 4.707 1.00 0.00 H new ATOM 681 N HIS A 48 -4.788 -2.082 7.449 1.00 0.00 N ATOM 682 CA HIS A 48 -5.745 -2.390 8.506 1.00 0.00 C ATOM 683 C HIS A 48 -5.997 -3.892 8.590 1.00 0.00 C ATOM 684 O HIS A 48 -5.758 -4.626 7.631 1.00 0.00 O ATOM 685 CB HIS A 48 -7.063 -1.654 8.259 1.00 0.00 C ATOM 686 CG HIS A 48 -6.997 -0.189 8.568 1.00 0.00 C ATOM 687 ND1 HIS A 48 -7.433 0.349 9.760 1.00 0.00 N ATOM 688 CD2 HIS A 48 -6.542 0.851 7.831 1.00 0.00 C ATOM 689 CE1 HIS A 48 -7.250 1.657 9.743 1.00 0.00 C ATOM 690 NE2 HIS A 48 -6.710 1.987 8.584 1.00 0.00 N ATOM 0 H HIS A 48 -5.139 -2.238 6.504 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.322 -2.057 9.454 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.353 -1.785 7.216 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.844 -2.111 8.867 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.125 0.797 6.836 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.500 2.340 10.541 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -6.458 2.932 8.295 1.00 0.00 H new ATOM 698 N SER A 49 -6.479 -4.343 9.744 1.00 0.00 N ATOM 699 CA SER A 49 -6.758 -5.758 9.956 1.00 0.00 C ATOM 700 C SER A 49 -8.159 -5.956 10.526 1.00 0.00 C ATOM 701 O SER A 49 -8.709 -5.089 11.205 1.00 0.00 O ATOM 702 CB SER A 49 -5.720 -6.369 10.899 1.00 0.00 C ATOM 703 OG SER A 49 -4.405 -6.155 10.417 1.00 0.00 O ATOM 0 H SER A 49 -6.684 -3.748 10.547 1.00 0.00 H new ATOM 0 HA SER A 49 -6.703 -6.262 8.991 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.823 -5.930 11.891 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.903 -7.438 11.003 1.00 0.00 H new ATOM 0 HG SER A 49 -3.760 -6.553 11.038 1.00 0.00 H new ATOM 709 N PRO A 50 -8.752 -7.126 10.244 1.00 0.00 N ATOM 710 CA PRO A 50 -10.096 -7.467 10.719 1.00 0.00 C ATOM 711 C PRO A 50 -10.137 -7.698 12.226 1.00 0.00 C ATOM 712 O PRO A 50 -11.195 -7.972 12.793 1.00 0.00 O ATOM 713 CB PRO A 50 -10.419 -8.763 9.971 1.00 0.00 C ATOM 714 CG PRO A 50 -9.090 -9.362 9.661 1.00 0.00 C ATOM 715 CD PRO A 50 -8.155 -8.206 9.440 1.00 0.00 C ATOM 0 HA PRO A 50 -10.809 -6.663 10.535 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.023 -9.433 10.583 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.986 -8.565 9.061 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.745 -9.991 10.481 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.144 -9.995 8.775 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.142 -8.439 9.769 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.093 -7.935 8.386 1.00 0.00 H new ATOM 723 N SER A 51 -8.980 -7.584 12.869 1.00 0.00 N ATOM 724 CA SER A 51 -8.883 -7.784 14.310 1.00 0.00 C ATOM 725 C SER A 51 -8.689 -6.454 15.031 1.00 0.00 C ATOM 726 O SER A 51 -8.287 -6.417 16.194 1.00 0.00 O ATOM 727 CB SER A 51 -7.726 -8.729 14.639 1.00 0.00 C ATOM 728 OG SER A 51 -7.898 -9.321 15.916 1.00 0.00 O ATOM 0 H SER A 51 -8.096 -7.354 12.415 1.00 0.00 H new ATOM 0 HA SER A 51 -9.816 -8.231 14.653 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.661 -9.508 13.879 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.785 -8.180 14.613 1.00 0.00 H new ATOM 0 HG SER A 51 -8.070 -8.621 16.580 1.00 0.00 H new ATOM 734 N GLY A 52 -8.977 -5.361 14.331 1.00 0.00 N ATOM 735 CA GLY A 52 -8.828 -4.042 14.919 1.00 0.00 C ATOM 736 C GLY A 52 -7.375 -3.657 15.118 1.00 0.00 C ATOM 737 O GLY A 52 -7.044 -2.915 16.042 1.00 0.00 O ATOM 0 H GLY A 52 -9.311 -5.365 13.367 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.311 -3.305 14.278 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.343 -4.015 15.879 1.00 0.00 H new ATOM 741 N ALA A 53 -6.506 -4.164 14.250 1.00 0.00 N ATOM 742 CA ALA A 53 -5.081 -3.868 14.334 1.00 0.00 C ATOM 743 C ALA A 53 -4.645 -2.939 13.206 1.00 0.00 C ATOM 744 O ALA A 53 -5.147 -3.029 12.086 1.00 0.00 O ATOM 745 CB ALA A 53 -4.272 -5.156 14.302 1.00 0.00 C ATOM 0 H ALA A 53 -6.764 -4.782 13.480 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.896 -3.359 15.280 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.210 -4.920 14.365 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.555 -5.785 15.146 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.471 -5.687 13.371 1.00 0.00 H new ATOM 751 N VAL A 54 -3.709 -2.046 13.510 1.00 0.00 N ATOM 752 CA VAL A 54 -3.205 -1.100 12.522 1.00 0.00 C ATOM 753 C VAL A 54 -1.684 -1.155 12.433 1.00 0.00 C ATOM 754 O VAL A 54 -0.985 -0.814 13.386 1.00 0.00 O ATOM 755 CB VAL A 54 -3.637 0.341 12.853 1.00 0.00 C ATOM 756 CG1 VAL A 54 -3.017 1.324 11.870 1.00 0.00 C ATOM 757 CG2 VAL A 54 -5.154 0.457 12.849 1.00 0.00 C ATOM 0 H VAL A 54 -3.284 -1.958 14.433 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.633 -1.388 11.562 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.279 0.588 13.852 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.334 2.337 12.120 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.930 1.259 11.927 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.342 1.081 10.858 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.441 1.482 13.085 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.537 0.190 11.864 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.572 -0.218 13.596 1.00 0.00 H new ATOM 767 N GLU A 55 -1.179 -1.587 11.282 1.00 0.00 N ATOM 768 CA GLU A 55 0.260 -1.687 11.069 1.00 0.00 C ATOM 769 C GLU A 55 0.771 -0.510 10.244 1.00 0.00 C ATOM 770 O GLU A 55 -0.013 0.289 9.733 1.00 0.00 O ATOM 771 CB GLU A 55 0.604 -3.003 10.368 1.00 0.00 C ATOM 772 CG GLU A 55 0.866 -4.153 11.326 1.00 0.00 C ATOM 773 CD GLU A 55 2.302 -4.189 11.814 1.00 0.00 C ATOM 774 OE1 GLU A 55 2.809 -3.132 12.244 1.00 0.00 O ATOM 775 OE2 GLU A 55 2.918 -5.274 11.765 1.00 0.00 O ATOM 0 H GLU A 55 -1.745 -1.873 10.483 1.00 0.00 H new ATOM 0 HA GLU A 55 0.748 -1.664 12.043 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.215 -3.275 9.702 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.485 -2.853 9.744 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.197 -4.067 12.182 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.631 -5.095 10.830 1.00 0.00 H new ATOM 782 N GLU A 56 2.091 -0.410 10.120 1.00 0.00 N ATOM 783 CA GLU A 56 2.707 0.670 9.359 1.00 0.00 C ATOM 784 C GLU A 56 3.474 0.122 8.159 1.00 0.00 C ATOM 785 O GLU A 56 4.252 -0.825 8.286 1.00 0.00 O ATOM 786 CB GLU A 56 3.648 1.481 10.252 1.00 0.00 C ATOM 787 CG GLU A 56 3.875 2.902 9.765 1.00 0.00 C ATOM 788 CD GLU A 56 5.097 3.546 10.391 1.00 0.00 C ATOM 789 OE1 GLU A 56 5.064 3.823 11.608 1.00 0.00 O ATOM 790 OE2 GLU A 56 6.087 3.771 9.664 1.00 0.00 O ATOM 0 H GLU A 56 2.754 -1.064 10.537 1.00 0.00 H new ATOM 0 HA GLU A 56 1.913 1.321 8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.239 1.513 11.262 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.608 0.969 10.313 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.987 2.897 8.681 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.995 3.504 9.992 1.00 0.00 H new ATOM 797 N CYS A 57 3.248 0.722 6.996 1.00 0.00 N ATOM 798 CA CYS A 57 3.915 0.294 5.772 1.00 0.00 C ATOM 799 C CYS A 57 5.089 1.210 5.443 1.00 0.00 C ATOM 800 O CYS A 57 4.950 2.434 5.429 1.00 0.00 O ATOM 801 CB CYS A 57 2.926 0.275 4.606 1.00 0.00 C ATOM 802 SG CYS A 57 1.442 -0.713 4.913 1.00 0.00 S ATOM 0 H CYS A 57 2.608 1.507 6.875 1.00 0.00 H new ATOM 0 HA CYS A 57 4.297 -0.714 5.931 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.628 1.299 4.380 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.431 -0.113 3.721 1.00 0.00 H new ATOM 0 HG CYS A 57 0.666 -0.666 3.871 1.00 0.00 H new ATOM 808 N HIS A 58 6.247 0.611 5.182 1.00 0.00 N ATOM 809 CA HIS A 58 7.446 1.374 4.855 1.00 0.00 C ATOM 810 C HIS A 58 7.222 2.233 3.614 1.00 0.00 C ATOM 811 O HIS A 58 7.178 1.724 2.494 1.00 0.00 O ATOM 812 CB HIS A 58 8.629 0.432 4.630 1.00 0.00 C ATOM 813 CG HIS A 58 9.899 1.141 4.269 1.00 0.00 C ATOM 814 ND1 HIS A 58 10.870 1.463 5.193 1.00 0.00 N ATOM 815 CD2 HIS A 58 10.354 1.588 3.075 1.00 0.00 C ATOM 816 CE1 HIS A 58 11.867 2.080 4.583 1.00 0.00 C ATOM 817 NE2 HIS A 58 11.578 2.167 3.297 1.00 0.00 N ATOM 0 H HIS A 58 6.380 -0.400 5.191 1.00 0.00 H new ATOM 0 HA HIS A 58 7.669 2.032 5.695 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.794 -0.153 5.535 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.377 -0.271 3.836 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.848 1.504 2.125 1.00 0.00 H new ATOM 0 HE1 HIS A 58 12.765 2.450 5.055 1.00 0.00 H new ATOM 0 HE2 HIS A 58 12.169 2.595 2.584 1.00 0.00 H new ATOM 825 N VAL A 59 7.080 3.538 3.821 1.00 0.00 N ATOM 826 CA VAL A 59 6.861 4.468 2.720 1.00 0.00 C ATOM 827 C VAL A 59 8.059 5.391 2.533 1.00 0.00 C ATOM 828 O VAL A 59 8.336 6.245 3.375 1.00 0.00 O ATOM 829 CB VAL A 59 5.600 5.322 2.949 1.00 0.00 C ATOM 830 CG1 VAL A 59 5.418 6.321 1.816 1.00 0.00 C ATOM 831 CG2 VAL A 59 4.373 4.433 3.089 1.00 0.00 C ATOM 0 H VAL A 59 7.113 3.975 4.742 1.00 0.00 H new ATOM 0 HA VAL A 59 6.726 3.867 1.821 1.00 0.00 H new ATOM 0 HB VAL A 59 5.724 5.880 3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.522 6.915 1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.286 6.979 1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.315 5.786 0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.491 5.053 3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.243 3.847 2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.505 3.762 3.938 1.00 0.00 H new ATOM 841 N SER A 60 8.769 5.214 1.423 1.00 0.00 N ATOM 842 CA SER A 60 9.941 6.029 1.126 1.00 0.00 C ATOM 843 C SER A 60 9.711 6.877 -0.121 1.00 0.00 C ATOM 844 O SER A 60 9.073 6.434 -1.076 1.00 0.00 O ATOM 845 CB SER A 60 11.171 5.140 0.933 1.00 0.00 C ATOM 846 OG SER A 60 12.357 5.914 0.887 1.00 0.00 O ATOM 0 H SER A 60 8.553 4.513 0.714 1.00 0.00 H new ATOM 0 HA SER A 60 10.113 6.696 1.971 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.235 4.420 1.748 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.070 4.569 0.010 1.00 0.00 H new ATOM 0 HG SER A 60 13.129 5.323 0.765 1.00 0.00 H new ATOM 852 N GLU A 61 10.237 8.098 -0.105 1.00 0.00 N ATOM 853 CA GLU A 61 10.089 9.008 -1.234 1.00 0.00 C ATOM 854 C GLU A 61 11.294 8.920 -2.166 1.00 0.00 C ATOM 855 O GLU A 61 12.324 9.553 -1.929 1.00 0.00 O ATOM 856 CB GLU A 61 9.916 10.446 -0.740 1.00 0.00 C ATOM 857 CG GLU A 61 9.958 11.481 -1.851 1.00 0.00 C ATOM 858 CD GLU A 61 9.995 12.902 -1.324 1.00 0.00 C ATOM 859 OE1 GLU A 61 9.188 13.222 -0.426 1.00 0.00 O ATOM 860 OE2 GLU A 61 10.830 13.694 -1.809 1.00 0.00 O ATOM 0 H GLU A 61 10.769 8.479 0.677 1.00 0.00 H new ATOM 0 HA GLU A 61 9.199 8.713 -1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.965 10.528 -0.214 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.700 10.670 -0.017 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.836 11.305 -2.473 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.084 11.357 -2.491 1.00 0.00 H new ATOM 867 N LEU A 62 11.159 8.130 -3.225 1.00 0.00 N ATOM 868 CA LEU A 62 12.237 7.958 -4.194 1.00 0.00 C ATOM 869 C LEU A 62 12.135 8.991 -5.311 1.00 0.00 C ATOM 870 O LEU A 62 13.144 9.527 -5.767 1.00 0.00 O ATOM 871 CB LEU A 62 12.199 6.547 -4.783 1.00 0.00 C ATOM 872 CG LEU A 62 11.708 5.442 -3.847 1.00 0.00 C ATOM 873 CD1 LEU A 62 11.566 4.128 -4.600 1.00 0.00 C ATOM 874 CD2 LEU A 62 12.654 5.283 -2.666 1.00 0.00 C ATOM 0 H LEU A 62 10.314 7.598 -3.435 1.00 0.00 H new ATOM 0 HA LEU A 62 13.185 8.103 -3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 62 11.558 6.560 -5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 62 13.202 6.289 -5.122 1.00 0.00 H new ATOM 0 HG LEU A 62 10.727 5.726 -3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.216 3.354 -3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.848 4.249 -5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.533 3.838 -5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.288 4.492 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.648 5.023 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.704 6.220 -2.111 1.00 0.00 H new ATOM 886 N GLU A 63 10.909 9.266 -5.746 1.00 0.00 N ATOM 887 CA GLU A 63 10.676 10.236 -6.809 1.00 0.00 C ATOM 888 C GLU A 63 9.673 11.298 -6.368 1.00 0.00 C ATOM 889 O GLU A 63 8.742 11.030 -5.608 1.00 0.00 O ATOM 890 CB GLU A 63 10.169 9.533 -8.070 1.00 0.00 C ATOM 891 CG GLU A 63 10.748 8.142 -8.265 1.00 0.00 C ATOM 892 CD GLU A 63 12.244 8.162 -8.516 1.00 0.00 C ATOM 893 OE1 GLU A 63 12.650 8.431 -9.666 1.00 0.00 O ATOM 894 OE2 GLU A 63 13.008 7.909 -7.561 1.00 0.00 O ATOM 0 H GLU A 63 10.063 8.831 -5.379 1.00 0.00 H new ATOM 0 HA GLU A 63 11.624 10.726 -7.031 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.082 9.462 -8.024 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.412 10.144 -8.939 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.540 7.539 -7.381 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.249 7.659 -9.105 1.00 0.00 H new ATOM 901 N PRO A 64 9.867 12.533 -6.853 1.00 0.00 N ATOM 902 CA PRO A 64 8.990 13.660 -6.522 1.00 0.00 C ATOM 903 C PRO A 64 7.608 13.523 -7.152 1.00 0.00 C ATOM 904 O PRO A 64 6.719 14.338 -6.903 1.00 0.00 O ATOM 905 CB PRO A 64 9.727 14.867 -7.108 1.00 0.00 C ATOM 906 CG PRO A 64 10.560 14.305 -8.208 1.00 0.00 C ATOM 907 CD PRO A 64 10.956 12.924 -7.763 1.00 0.00 C ATOM 0 HA PRO A 64 8.808 13.734 -5.450 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.027 15.614 -7.483 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.344 15.358 -6.355 1.00 0.00 H new ATOM 0 HG2 PRO A 64 10.000 14.268 -9.142 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.439 14.924 -8.388 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.040 12.239 -8.607 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.921 12.926 -7.257 1.00 0.00 H new ATOM 915 N ASP A 65 7.433 12.489 -7.966 1.00 0.00 N ATOM 916 CA ASP A 65 6.158 12.245 -8.630 1.00 0.00 C ATOM 917 C ASP A 65 5.719 10.795 -8.447 1.00 0.00 C ATOM 918 O ASP A 65 4.652 10.395 -8.914 1.00 0.00 O ATOM 919 CB ASP A 65 6.263 12.574 -10.120 1.00 0.00 C ATOM 920 CG ASP A 65 7.383 11.814 -10.804 1.00 0.00 C ATOM 921 OD1 ASP A 65 7.145 10.664 -11.229 1.00 0.00 O ATOM 922 OD2 ASP A 65 8.497 12.368 -10.913 1.00 0.00 O ATOM 0 H ASP A 65 8.158 11.805 -8.182 1.00 0.00 H new ATOM 0 HA ASP A 65 5.410 12.893 -8.174 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.317 12.339 -10.608 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.427 13.645 -10.242 1.00 0.00 H new ATOM 927 N LYS A 66 6.548 10.013 -7.765 1.00 0.00 N ATOM 928 CA LYS A 66 6.247 8.608 -7.519 1.00 0.00 C ATOM 929 C LYS A 66 6.658 8.202 -6.107 1.00 0.00 C ATOM 930 O LYS A 66 7.641 8.710 -5.567 1.00 0.00 O ATOM 931 CB LYS A 66 6.962 7.724 -8.544 1.00 0.00 C ATOM 932 CG LYS A 66 6.267 6.396 -8.792 1.00 0.00 C ATOM 933 CD LYS A 66 7.031 5.547 -9.794 1.00 0.00 C ATOM 934 CE LYS A 66 6.376 4.187 -9.984 1.00 0.00 C ATOM 935 NZ LYS A 66 5.307 4.226 -11.019 1.00 0.00 N ATOM 0 H LYS A 66 7.435 10.329 -7.372 1.00 0.00 H new ATOM 0 HA LYS A 66 5.170 8.471 -7.619 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.040 8.265 -9.487 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.979 7.534 -8.201 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.171 5.853 -7.852 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.257 6.576 -9.161 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.079 6.066 -10.751 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.057 5.413 -9.452 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.132 3.457 -10.271 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.953 3.852 -9.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.886 3.280 -11.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.572 4.904 -10.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.715 4.521 -11.929 1.00 0.00 H new ATOM 949 N TYR A 67 5.902 7.283 -5.517 1.00 0.00 N ATOM 950 CA TYR A 67 6.188 6.810 -4.167 1.00 0.00 C ATOM 951 C TYR A 67 6.068 5.292 -4.086 1.00 0.00 C ATOM 952 O TYR A 67 5.423 4.663 -4.925 1.00 0.00 O ATOM 953 CB TYR A 67 5.237 7.463 -3.163 1.00 0.00 C ATOM 954 CG TYR A 67 5.595 8.894 -2.831 1.00 0.00 C ATOM 955 CD1 TYR A 67 5.416 9.909 -3.762 1.00 0.00 C ATOM 956 CD2 TYR A 67 6.114 9.230 -1.587 1.00 0.00 C ATOM 957 CE1 TYR A 67 5.743 11.218 -3.464 1.00 0.00 C ATOM 958 CE2 TYR A 67 6.442 10.536 -1.279 1.00 0.00 C ATOM 959 CZ TYR A 67 6.255 11.526 -2.221 1.00 0.00 C ATOM 960 OH TYR A 67 6.582 12.828 -1.919 1.00 0.00 O ATOM 0 H TYR A 67 5.087 6.851 -5.952 1.00 0.00 H new ATOM 0 HA TYR A 67 7.212 7.089 -3.920 1.00 0.00 H new ATOM 0 HB2 TYR A 67 4.224 7.435 -3.564 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.233 6.876 -2.245 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.014 9.671 -4.736 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.264 8.457 -0.848 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.599 11.995 -4.200 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.843 10.780 -0.306 1.00 0.00 H new ATOM 0 HH TYR A 67 7.399 12.843 -1.378 1.00 0.00 H new ATOM 970 N ALA A 68 6.693 4.709 -3.068 1.00 0.00 N ATOM 971 CA ALA A 68 6.655 3.265 -2.874 1.00 0.00 C ATOM 972 C ALA A 68 6.210 2.913 -1.458 1.00 0.00 C ATOM 973 O ALA A 68 6.460 3.662 -0.514 1.00 0.00 O ATOM 974 CB ALA A 68 8.019 2.657 -3.167 1.00 0.00 C ATOM 0 H ALA A 68 7.232 5.215 -2.365 1.00 0.00 H new ATOM 0 HA ALA A 68 5.927 2.849 -3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.976 1.578 -3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.298 2.870 -4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.761 3.087 -2.494 1.00 0.00 H new ATOM 980 N VAL A 69 5.548 1.769 -1.318 1.00 0.00 N ATOM 981 CA VAL A 69 5.068 1.318 -0.018 1.00 0.00 C ATOM 982 C VAL A 69 5.249 -0.188 0.143 1.00 0.00 C ATOM 983 O VAL A 69 4.729 -0.974 -0.649 1.00 0.00 O ATOM 984 CB VAL A 69 3.582 1.670 0.185 1.00 0.00 C ATOM 985 CG1 VAL A 69 3.170 1.433 1.630 1.00 0.00 C ATOM 986 CG2 VAL A 69 3.316 3.110 -0.225 1.00 0.00 C ATOM 0 H VAL A 69 5.332 1.138 -2.089 1.00 0.00 H new ATOM 0 HA VAL A 69 5.662 1.835 0.735 1.00 0.00 H new ATOM 0 HB VAL A 69 2.981 1.019 -0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.117 1.687 1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.323 0.384 1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.774 2.058 2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.262 3.342 -0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.925 3.780 0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.571 3.242 -1.277 1.00 0.00 H new ATOM 996 N ARG A 70 5.989 -0.583 1.173 1.00 0.00 N ATOM 997 CA ARG A 70 6.239 -1.994 1.438 1.00 0.00 C ATOM 998 C ARG A 70 5.464 -2.463 2.665 1.00 0.00 C ATOM 999 O ARG A 70 5.423 -1.777 3.687 1.00 0.00 O ATOM 1000 CB ARG A 70 7.736 -2.239 1.642 1.00 0.00 C ATOM 1001 CG ARG A 70 8.119 -3.710 1.629 1.00 0.00 C ATOM 1002 CD ARG A 70 9.345 -3.974 2.489 1.00 0.00 C ATOM 1003 NE ARG A 70 9.086 -3.720 3.904 1.00 0.00 N ATOM 1004 CZ ARG A 70 10.000 -3.867 4.856 1.00 0.00 C ATOM 1005 NH1 ARG A 70 11.226 -4.264 4.547 1.00 0.00 N ATOM 1006 NH2 ARG A 70 9.687 -3.616 6.121 1.00 0.00 N ATOM 0 H ARG A 70 6.426 0.055 1.838 1.00 0.00 H new ATOM 0 HA ARG A 70 5.898 -2.566 0.575 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.290 -1.721 0.860 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.041 -1.801 2.592 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.283 -4.308 1.992 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.317 -4.027 0.605 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.663 -5.008 2.359 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.167 -3.343 2.152 1.00 0.00 H new ATOM 0 HE ARG A 70 8.152 -3.413 4.176 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.470 -4.458 3.576 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.926 -4.376 5.281 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.744 -3.310 6.362 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.389 -3.729 6.852 1.00 0.00 H new ATOM 1020 N PHE A 71 4.849 -3.637 2.558 1.00 0.00 N ATOM 1021 CA PHE A 71 4.073 -4.197 3.658 1.00 0.00 C ATOM 1022 C PHE A 71 3.918 -5.707 3.501 1.00 0.00 C ATOM 1023 O PHE A 71 3.886 -6.225 2.384 1.00 0.00 O ATOM 1024 CB PHE A 71 2.695 -3.536 3.727 1.00 0.00 C ATOM 1025 CG PHE A 71 1.721 -4.075 2.720 1.00 0.00 C ATOM 1026 CD1 PHE A 71 1.717 -3.601 1.418 1.00 0.00 C ATOM 1027 CD2 PHE A 71 0.808 -5.055 3.075 1.00 0.00 C ATOM 1028 CE1 PHE A 71 0.821 -4.095 0.488 1.00 0.00 C ATOM 1029 CE2 PHE A 71 -0.089 -5.553 2.149 1.00 0.00 C ATOM 1030 CZ PHE A 71 -0.084 -5.072 0.854 1.00 0.00 C ATOM 0 H PHE A 71 4.873 -4.219 1.720 1.00 0.00 H new ATOM 0 HA PHE A 71 4.610 -3.999 4.586 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.285 -3.674 4.727 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.808 -2.463 3.573 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.422 -2.837 1.126 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.797 -5.434 4.086 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.829 -3.717 -0.524 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.794 -6.318 2.438 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.786 -5.459 0.130 1.00 0.00 H new ATOM 1040 N ILE A 72 3.824 -6.406 4.626 1.00 0.00 N ATOM 1041 CA ILE A 72 3.672 -7.856 4.614 1.00 0.00 C ATOM 1042 C ILE A 72 2.208 -8.256 4.767 1.00 0.00 C ATOM 1043 O ILE A 72 1.627 -8.177 5.849 1.00 0.00 O ATOM 1044 CB ILE A 72 4.494 -8.518 5.736 1.00 0.00 C ATOM 1045 CG1 ILE A 72 5.981 -8.202 5.563 1.00 0.00 C ATOM 1046 CG2 ILE A 72 4.264 -10.022 5.744 1.00 0.00 C ATOM 1047 CD1 ILE A 72 6.806 -8.482 6.799 1.00 0.00 C ATOM 0 H ILE A 72 3.850 -5.992 5.558 1.00 0.00 H new ATOM 0 HA ILE A 72 4.043 -8.204 3.650 1.00 0.00 H new ATOM 0 HB ILE A 72 4.165 -8.115 6.694 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.375 -8.789 4.733 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.092 -7.152 5.292 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.852 -10.476 6.542 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.206 -10.227 5.910 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.569 -10.442 4.785 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.850 -8.235 6.604 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.438 -7.876 7.627 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.726 -9.538 7.059 1.00 0.00 H new ATOM 1059 N PRO A 73 1.597 -8.700 3.658 1.00 0.00 N ATOM 1060 CA PRO A 73 0.194 -9.125 3.644 1.00 0.00 C ATOM 1061 C PRO A 73 -0.025 -10.428 4.404 1.00 0.00 C ATOM 1062 O PRO A 73 -0.117 -11.500 3.805 1.00 0.00 O ATOM 1063 CB PRO A 73 -0.102 -9.318 2.154 1.00 0.00 C ATOM 1064 CG PRO A 73 1.223 -9.607 1.539 1.00 0.00 C ATOM 1065 CD PRO A 73 2.229 -8.821 2.334 1.00 0.00 C ATOM 0 HA PRO A 73 -0.457 -8.400 4.132 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.801 -10.139 1.992 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.553 -8.425 1.721 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.445 -10.674 1.574 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.239 -9.312 0.490 1.00 0.00 H new ATOM 0 HD2 PRO A 73 3.187 -9.337 2.392 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.419 -7.845 1.889 1.00 0.00 H new ATOM 1073 N HIS A 74 -0.107 -10.330 5.727 1.00 0.00 N ATOM 1074 CA HIS A 74 -0.317 -11.502 6.569 1.00 0.00 C ATOM 1075 C HIS A 74 -1.554 -11.328 7.445 1.00 0.00 C ATOM 1076 O HIS A 74 -1.530 -10.589 8.428 1.00 0.00 O ATOM 1077 CB HIS A 74 0.911 -11.752 7.445 1.00 0.00 C ATOM 1078 CG HIS A 74 1.126 -10.701 8.490 1.00 0.00 C ATOM 1079 ND1 HIS A 74 1.700 -9.477 8.218 1.00 0.00 N ATOM 1080 CD2 HIS A 74 0.840 -10.695 9.813 1.00 0.00 C ATOM 1081 CE1 HIS A 74 1.759 -8.764 9.329 1.00 0.00 C ATOM 1082 NE2 HIS A 74 1.242 -9.480 10.311 1.00 0.00 N ATOM 0 H HIS A 74 -0.031 -9.451 6.239 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.473 -12.363 5.919 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.808 -12.721 7.932 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.795 -11.807 6.810 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.028 -9.170 7.302 1.00 0.00 H new ATOM 0 HD2 HIS A 74 0.381 -11.497 10.373 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.161 -7.766 9.419 1.00 0.00 H new ATOM 1090 N GLU A 75 -2.633 -12.012 7.079 1.00 0.00 N ATOM 1091 CA GLU A 75 -3.880 -11.931 7.831 1.00 0.00 C ATOM 1092 C GLU A 75 -4.618 -13.266 7.806 1.00 0.00 C ATOM 1093 O GLU A 75 -4.176 -14.220 7.168 1.00 0.00 O ATOM 1094 CB GLU A 75 -4.775 -10.830 7.259 1.00 0.00 C ATOM 1095 CG GLU A 75 -4.308 -9.426 7.603 1.00 0.00 C ATOM 1096 CD GLU A 75 -5.223 -8.353 7.044 1.00 0.00 C ATOM 1097 OE1 GLU A 75 -6.361 -8.690 6.653 1.00 0.00 O ATOM 1098 OE2 GLU A 75 -4.802 -7.179 6.997 1.00 0.00 O ATOM 0 H GLU A 75 -2.669 -12.628 6.267 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.636 -11.690 8.866 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.817 -10.934 6.175 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.790 -10.968 7.632 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.251 -9.321 8.686 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.300 -9.277 7.215 1.00 0.00 H new ATOM 1105 N ASN A 76 -5.746 -13.325 8.508 1.00 0.00 N ATOM 1106 CA ASN A 76 -6.546 -14.543 8.568 1.00 0.00 C ATOM 1107 C ASN A 76 -7.813 -14.404 7.730 1.00 0.00 C ATOM 1108 O ASN A 76 -8.709 -15.244 7.796 1.00 0.00 O ATOM 1109 CB ASN A 76 -6.912 -14.866 10.018 1.00 0.00 C ATOM 1110 CG ASN A 76 -8.226 -14.235 10.436 1.00 0.00 C ATOM 1111 OD1 ASN A 76 -8.296 -12.911 10.361 1.00 0.00 O flip ATOM 1112 ND2 ASN A 76 -9.166 -14.929 10.822 1.00 0.00 N flip ATOM 0 H ASN A 76 -6.126 -12.544 9.043 1.00 0.00 H new ATOM 0 HA ASN A 76 -5.951 -15.360 8.160 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -6.975 -15.947 10.142 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.118 -14.516 10.677 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.068 -15.943 10.864 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -10.044 -14.490 11.100 1.00 0.00 H new ATOM 1119 N GLY A 77 -7.880 -13.335 6.941 1.00 0.00 N ATOM 1120 CA GLY A 77 -9.041 -13.105 6.101 1.00 0.00 C ATOM 1121 C GLY A 77 -8.755 -12.137 4.970 1.00 0.00 C ATOM 1122 O GLY A 77 -7.923 -12.410 4.105 1.00 0.00 O ATOM 0 H GLY A 77 -7.151 -12.625 6.869 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.379 -14.054 5.686 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.856 -12.716 6.711 1.00 0.00 H new ATOM 1126 N VAL A 78 -9.448 -11.003 4.975 1.00 0.00 N ATOM 1127 CA VAL A 78 -9.265 -9.991 3.942 1.00 0.00 C ATOM 1128 C VAL A 78 -8.514 -8.780 4.484 1.00 0.00 C ATOM 1129 O VAL A 78 -8.675 -8.406 5.646 1.00 0.00 O ATOM 1130 CB VAL A 78 -10.616 -9.526 3.366 1.00 0.00 C ATOM 1131 CG1 VAL A 78 -10.454 -8.212 2.617 1.00 0.00 C ATOM 1132 CG2 VAL A 78 -11.205 -10.597 2.459 1.00 0.00 C ATOM 0 H VAL A 78 -10.141 -10.762 5.683 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.678 -10.453 3.148 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.307 -9.362 4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.419 -7.900 2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.079 -7.448 3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.748 -8.345 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.159 -10.252 2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.518 -10.795 1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.360 -11.512 3.030 1.00 0.00 H new ATOM 1142 N HIS A 79 -7.692 -8.172 3.635 1.00 0.00 N ATOM 1143 CA HIS A 79 -6.915 -7.002 4.030 1.00 0.00 C ATOM 1144 C HIS A 79 -7.586 -5.718 3.551 1.00 0.00 C ATOM 1145 O HIS A 79 -8.383 -5.733 2.613 1.00 0.00 O ATOM 1146 CB HIS A 79 -5.497 -7.091 3.465 1.00 0.00 C ATOM 1147 CG HIS A 79 -4.795 -8.369 3.807 1.00 0.00 C ATOM 1148 ND1 HIS A 79 -3.763 -8.439 4.719 1.00 0.00 N ATOM 1149 CD2 HIS A 79 -4.983 -9.630 3.355 1.00 0.00 C ATOM 1150 CE1 HIS A 79 -3.346 -9.689 4.812 1.00 0.00 C ATOM 1151 NE2 HIS A 79 -4.070 -10.432 3.995 1.00 0.00 N ATOM 0 H HIS A 79 -7.547 -8.469 2.670 1.00 0.00 H new ATOM 0 HA HIS A 79 -6.864 -6.981 5.119 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.540 -6.989 2.381 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.911 -6.252 3.842 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.381 -7.649 5.240 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.715 -9.947 2.627 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.548 -10.043 5.448 1.00 0.00 H new ATOM 1159 N THR A 80 -7.259 -4.606 4.203 1.00 0.00 N ATOM 1160 CA THR A 80 -7.831 -3.314 3.846 1.00 0.00 C ATOM 1161 C THR A 80 -6.788 -2.206 3.939 1.00 0.00 C ATOM 1162 O THR A 80 -6.361 -1.833 5.032 1.00 0.00 O ATOM 1163 CB THR A 80 -9.024 -2.958 4.754 1.00 0.00 C ATOM 1164 OG1 THR A 80 -9.928 -4.065 4.831 1.00 0.00 O ATOM 1165 CG2 THR A 80 -9.757 -1.733 4.228 1.00 0.00 C ATOM 0 H THR A 80 -6.601 -4.575 4.981 1.00 0.00 H new ATOM 0 HA THR A 80 -8.179 -3.396 2.816 1.00 0.00 H new ATOM 0 HB THR A 80 -8.641 -2.733 5.749 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.683 -3.831 5.411 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.595 -1.501 4.885 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.073 -0.885 4.198 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.129 -1.935 3.223 1.00 0.00 H new ATOM 1173 N ILE A 81 -6.383 -1.684 2.786 1.00 0.00 N ATOM 1174 CA ILE A 81 -5.391 -0.617 2.738 1.00 0.00 C ATOM 1175 C ILE A 81 -6.020 0.734 3.061 1.00 0.00 C ATOM 1176 O ILE A 81 -7.165 1.000 2.695 1.00 0.00 O ATOM 1177 CB ILE A 81 -4.714 -0.539 1.357 1.00 0.00 C ATOM 1178 CG1 ILE A 81 -4.011 -1.859 1.034 1.00 0.00 C ATOM 1179 CG2 ILE A 81 -3.727 0.618 1.315 1.00 0.00 C ATOM 1180 CD1 ILE A 81 -3.796 -2.082 -0.447 1.00 0.00 C ATOM 0 H ILE A 81 -6.726 -1.982 1.873 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.638 -0.853 3.490 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.481 -0.364 0.602 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.046 -1.881 1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.601 -2.683 1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.257 0.660 0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.254 1.553 1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.962 0.471 2.077 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.293 -3.036 -0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.759 -2.092 -0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.181 -1.278 -0.850 1.00 0.00 H new ATOM 1192 N ASP A 82 -5.264 1.584 3.747 1.00 0.00 N ATOM 1193 CA ASP A 82 -5.746 2.910 4.116 1.00 0.00 C ATOM 1194 C ASP A 82 -4.809 3.994 3.594 1.00 0.00 C ATOM 1195 O ASP A 82 -3.707 4.179 4.111 1.00 0.00 O ATOM 1196 CB ASP A 82 -5.879 3.022 5.636 1.00 0.00 C ATOM 1197 CG ASP A 82 -5.968 4.461 6.105 1.00 0.00 C ATOM 1198 OD1 ASP A 82 -6.420 5.315 5.314 1.00 0.00 O ATOM 1199 OD2 ASP A 82 -5.585 4.733 7.262 1.00 0.00 O ATOM 0 H ASP A 82 -4.315 1.378 4.059 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.726 3.053 3.661 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -6.768 2.481 5.961 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.023 2.541 6.109 1.00 0.00 H new ATOM 1204 N VAL A 83 -5.254 4.708 2.564 1.00 0.00 N ATOM 1205 CA VAL A 83 -4.456 5.774 1.971 1.00 0.00 C ATOM 1206 C VAL A 83 -5.128 7.130 2.154 1.00 0.00 C ATOM 1207 O VAL A 83 -6.094 7.455 1.464 1.00 0.00 O ATOM 1208 CB VAL A 83 -4.219 5.529 0.469 1.00 0.00 C ATOM 1209 CG1 VAL A 83 -3.394 6.656 -0.132 1.00 0.00 C ATOM 1210 CG2 VAL A 83 -3.541 4.185 0.250 1.00 0.00 C ATOM 0 H VAL A 83 -6.163 4.567 2.123 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.496 5.775 2.487 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.185 5.510 -0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.237 6.466 -1.194 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.923 7.601 -0.007 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.430 6.711 0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.381 4.028 -0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.581 4.173 0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.174 3.390 0.643 1.00 0.00 H new ATOM 1220 N LYS A 84 -4.609 7.920 3.088 1.00 0.00 N ATOM 1221 CA LYS A 84 -5.157 9.244 3.362 1.00 0.00 C ATOM 1222 C LYS A 84 -4.268 10.333 2.771 1.00 0.00 C ATOM 1223 O LYS A 84 -3.041 10.262 2.856 1.00 0.00 O ATOM 1224 CB LYS A 84 -5.306 9.454 4.870 1.00 0.00 C ATOM 1225 CG LYS A 84 -6.650 9.005 5.417 1.00 0.00 C ATOM 1226 CD LYS A 84 -6.825 9.412 6.871 1.00 0.00 C ATOM 1227 CE LYS A 84 -7.760 8.464 7.606 1.00 0.00 C ATOM 1228 NZ LYS A 84 -7.489 8.443 9.070 1.00 0.00 N ATOM 0 H LYS A 84 -3.809 7.667 3.668 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.139 9.308 2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.514 8.910 5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.166 10.511 5.097 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.451 9.439 4.818 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.736 7.922 5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.854 9.424 7.366 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -7.221 10.426 6.921 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.793 8.765 7.432 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.649 7.458 7.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.147 7.785 9.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.511 8.131 9.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.620 9.398 9.461 1.00 0.00 H new ATOM 1242 N PHE A 85 -4.893 11.342 2.174 1.00 0.00 N ATOM 1243 CA PHE A 85 -4.158 12.447 1.569 1.00 0.00 C ATOM 1244 C PHE A 85 -4.753 13.789 1.987 1.00 0.00 C ATOM 1245 O PHE A 85 -5.825 14.175 1.525 1.00 0.00 O ATOM 1246 CB PHE A 85 -4.172 12.323 0.044 1.00 0.00 C ATOM 1247 CG PHE A 85 -3.127 13.162 -0.635 1.00 0.00 C ATOM 1248 CD1 PHE A 85 -1.864 12.650 -0.885 1.00 0.00 C ATOM 1249 CD2 PHE A 85 -3.408 14.461 -1.024 1.00 0.00 C ATOM 1250 CE1 PHE A 85 -0.901 13.420 -1.509 1.00 0.00 C ATOM 1251 CE2 PHE A 85 -2.449 15.236 -1.648 1.00 0.00 C ATOM 1252 CZ PHE A 85 -1.194 14.714 -1.892 1.00 0.00 C ATOM 0 H PHE A 85 -5.907 11.418 2.096 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.127 12.401 1.921 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.022 11.279 -0.229 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.156 12.611 -0.327 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.630 11.638 -0.589 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.389 14.873 -0.837 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.080 13.010 -1.697 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.681 16.248 -1.944 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.443 15.317 -2.381 1.00 0.00 H new ATOM 1262 N ASN A 86 -4.047 14.494 2.866 1.00 0.00 N ATOM 1263 CA ASN A 86 -4.505 15.792 3.348 1.00 0.00 C ATOM 1264 C ASN A 86 -5.847 15.664 4.063 1.00 0.00 C ATOM 1265 O ASN A 86 -6.709 16.534 3.946 1.00 0.00 O ATOM 1266 CB ASN A 86 -4.627 16.778 2.184 1.00 0.00 C ATOM 1267 CG ASN A 86 -3.332 16.916 1.406 1.00 0.00 C ATOM 1268 OD1 ASN A 86 -2.624 15.935 1.178 1.00 0.00 O ATOM 1269 ND2 ASN A 86 -3.017 18.139 0.996 1.00 0.00 N ATOM 0 H ASN A 86 -3.157 14.188 3.258 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.769 16.168 4.058 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.418 16.446 1.512 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.923 17.754 2.568 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.158 18.295 0.469 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.634 18.923 1.208 1.00 0.00 H new ATOM 1276 N GLY A 87 -6.015 14.574 4.805 1.00 0.00 N ATOM 1277 CA GLY A 87 -7.253 14.352 5.528 1.00 0.00 C ATOM 1278 C GLY A 87 -8.403 13.988 4.611 1.00 0.00 C ATOM 1279 O GLY A 87 -9.464 14.611 4.658 1.00 0.00 O ATOM 0 H GLY A 87 -5.315 13.840 4.918 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.107 13.554 6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.509 15.251 6.088 1.00 0.00 H new ATOM 1283 N SER A 88 -8.193 12.978 3.774 1.00 0.00 N ATOM 1284 CA SER A 88 -9.220 12.535 2.837 1.00 0.00 C ATOM 1285 C SER A 88 -8.781 11.269 2.108 1.00 0.00 C ATOM 1286 O SER A 88 -7.720 11.234 1.483 1.00 0.00 O ATOM 1287 CB SER A 88 -9.527 13.640 1.824 1.00 0.00 C ATOM 1288 OG SER A 88 -10.727 13.369 1.122 1.00 0.00 O ATOM 0 H SER A 88 -7.321 12.450 3.725 1.00 0.00 H new ATOM 0 HA SER A 88 -10.123 12.311 3.405 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.612 14.597 2.339 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.701 13.730 1.118 1.00 0.00 H new ATOM 0 HG SER A 88 -10.902 14.090 0.482 1.00 0.00 H new ATOM 1294 N HIS A 89 -9.604 10.229 2.193 1.00 0.00 N ATOM 1295 CA HIS A 89 -9.302 8.959 1.542 1.00 0.00 C ATOM 1296 C HIS A 89 -9.395 9.092 0.025 1.00 0.00 C ATOM 1297 O HIS A 89 -10.460 9.383 -0.520 1.00 0.00 O ATOM 1298 CB HIS A 89 -10.259 7.871 2.030 1.00 0.00 C ATOM 1299 CG HIS A 89 -10.022 7.458 3.450 1.00 0.00 C ATOM 1300 ND1 HIS A 89 -9.965 6.140 3.851 1.00 0.00 N ATOM 1301 CD2 HIS A 89 -9.825 8.199 4.566 1.00 0.00 C ATOM 1302 CE1 HIS A 89 -9.746 6.088 5.153 1.00 0.00 C ATOM 1303 NE2 HIS A 89 -9.656 7.323 5.610 1.00 0.00 N ATOM 0 H HIS A 89 -10.485 10.241 2.706 1.00 0.00 H new ATOM 0 HA HIS A 89 -8.282 8.678 1.803 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -11.284 8.229 1.930 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.162 6.998 1.385 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -10.075 5.332 3.239 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -9.805 9.277 4.624 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -9.656 5.188 5.743 1.00 0.00 H new ATOM 1311 N VAL A 90 -8.272 8.876 -0.653 1.00 0.00 N ATOM 1312 CA VAL A 90 -8.226 8.971 -2.107 1.00 0.00 C ATOM 1313 C VAL A 90 -9.348 8.160 -2.746 1.00 0.00 C ATOM 1314 O VAL A 90 -10.105 7.476 -2.057 1.00 0.00 O ATOM 1315 CB VAL A 90 -6.875 8.481 -2.660 1.00 0.00 C ATOM 1316 CG1 VAL A 90 -5.741 9.362 -2.156 1.00 0.00 C ATOM 1317 CG2 VAL A 90 -6.640 7.027 -2.281 1.00 0.00 C ATOM 0 H VAL A 90 -7.382 8.634 -0.218 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.352 10.024 -2.359 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.901 8.549 -3.748 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.794 9.001 -2.557 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.905 10.389 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.710 9.328 -1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.681 6.697 -2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.634 6.930 -1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.437 6.410 -2.696 1.00 0.00 H new ATOM 1327 N VAL A 91 -9.450 8.240 -4.069 1.00 0.00 N ATOM 1328 CA VAL A 91 -10.478 7.512 -4.803 1.00 0.00 C ATOM 1329 C VAL A 91 -10.296 6.006 -4.655 1.00 0.00 C ATOM 1330 O VAL A 91 -9.174 5.501 -4.670 1.00 0.00 O ATOM 1331 CB VAL A 91 -10.463 7.875 -6.300 1.00 0.00 C ATOM 1332 CG1 VAL A 91 -10.388 9.383 -6.483 1.00 0.00 C ATOM 1333 CG2 VAL A 91 -9.304 7.186 -7.003 1.00 0.00 C ATOM 0 H VAL A 91 -8.833 8.802 -4.655 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.438 7.803 -4.376 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.391 7.524 -6.751 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.378 9.620 -7.547 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.255 9.850 -6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.477 9.761 -6.019 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.309 7.453 -8.060 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.364 7.504 -6.552 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.407 6.106 -6.902 1.00 0.00 H new ATOM 1343 N GLY A 92 -11.409 5.292 -4.512 1.00 0.00 N ATOM 1344 CA GLY A 92 -11.351 3.849 -4.364 1.00 0.00 C ATOM 1345 C GLY A 92 -10.681 3.426 -3.072 1.00 0.00 C ATOM 1346 O GLY A 92 -10.037 2.379 -3.013 1.00 0.00 O ATOM 0 H GLY A 92 -12.349 5.687 -4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.362 3.443 -4.396 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.809 3.422 -5.208 1.00 0.00 H new ATOM 1350 N SER A 93 -10.833 4.242 -2.033 1.00 0.00 N ATOM 1351 CA SER A 93 -10.233 3.949 -0.737 1.00 0.00 C ATOM 1352 C SER A 93 -11.295 3.916 0.358 1.00 0.00 C ATOM 1353 O SER A 93 -12.252 4.691 0.354 1.00 0.00 O ATOM 1354 CB SER A 93 -9.166 4.992 -0.397 1.00 0.00 C ATOM 1355 OG SER A 93 -8.613 4.757 0.886 1.00 0.00 O ATOM 0 H SER A 93 -11.366 5.111 -2.064 1.00 0.00 H new ATOM 0 HA SER A 93 -9.765 2.966 -0.795 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.376 4.966 -1.147 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.604 5.989 -0.430 1.00 0.00 H new ATOM 0 HG SER A 93 -7.933 5.436 1.078 1.00 0.00 H new ATOM 1361 N PRO A 94 -11.123 2.997 1.320 1.00 0.00 N ATOM 1362 CA PRO A 94 -9.989 2.069 1.335 1.00 0.00 C ATOM 1363 C PRO A 94 -10.074 1.031 0.222 1.00 0.00 C ATOM 1364 O PRO A 94 -11.051 0.987 -0.527 1.00 0.00 O ATOM 1365 CB PRO A 94 -10.100 1.396 2.705 1.00 0.00 C ATOM 1366 CG PRO A 94 -11.543 1.499 3.062 1.00 0.00 C ATOM 1367 CD PRO A 94 -12.025 2.793 2.467 1.00 0.00 C ATOM 0 HA PRO A 94 -9.041 2.581 1.172 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -9.776 0.356 2.663 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -9.473 1.896 3.443 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.105 0.654 2.665 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.679 1.492 4.143 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.067 2.728 2.153 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.959 3.613 3.182 1.00 0.00 H new ATOM 1375 N PHE A 95 -9.046 0.195 0.119 1.00 0.00 N ATOM 1376 CA PHE A 95 -9.005 -0.844 -0.904 1.00 0.00 C ATOM 1377 C PHE A 95 -9.132 -2.229 -0.277 1.00 0.00 C ATOM 1378 O PHE A 95 -8.608 -2.483 0.808 1.00 0.00 O ATOM 1379 CB PHE A 95 -7.704 -0.750 -1.704 1.00 0.00 C ATOM 1380 CG PHE A 95 -7.547 0.547 -2.444 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -7.095 1.682 -1.790 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -7.853 0.632 -3.793 1.00 0.00 C ATOM 1383 CE1 PHE A 95 -6.949 2.878 -2.468 1.00 0.00 C ATOM 1384 CE2 PHE A 95 -7.708 1.825 -4.476 1.00 0.00 C ATOM 1385 CZ PHE A 95 -7.257 2.949 -3.812 1.00 0.00 C ATOM 0 H PHE A 95 -8.230 0.217 0.731 1.00 0.00 H new ATOM 0 HA PHE A 95 -9.849 -0.691 -1.577 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.860 -0.876 -1.026 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -7.666 -1.573 -2.418 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.854 1.632 -0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -8.209 -0.243 -4.316 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -6.595 3.755 -1.947 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -7.947 1.878 -5.528 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.145 3.882 -4.344 1.00 0.00 H new ATOM 1395 N LYS A 96 -9.831 -3.123 -0.968 1.00 0.00 N ATOM 1396 CA LYS A 96 -10.028 -4.483 -0.482 1.00 0.00 C ATOM 1397 C LYS A 96 -9.239 -5.481 -1.324 1.00 0.00 C ATOM 1398 O LYS A 96 -9.178 -5.364 -2.548 1.00 0.00 O ATOM 1399 CB LYS A 96 -11.515 -4.845 -0.503 1.00 0.00 C ATOM 1400 CG LYS A 96 -12.106 -4.906 -1.900 1.00 0.00 C ATOM 1401 CD LYS A 96 -13.584 -4.554 -1.896 1.00 0.00 C ATOM 1402 CE LYS A 96 -14.432 -5.715 -1.400 1.00 0.00 C ATOM 1403 NZ LYS A 96 -14.534 -6.801 -2.413 1.00 0.00 N ATOM 0 H LYS A 96 -10.271 -2.929 -1.868 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.664 -4.531 0.544 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.652 -5.811 -0.017 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.067 -4.111 0.084 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.569 -4.218 -2.554 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.971 -5.907 -2.310 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.750 -3.684 -1.261 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.896 -4.278 -2.903 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.000 -6.114 -0.482 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.431 -5.355 -1.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.274 -7.474 -2.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.776 -6.391 -3.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.623 -7.298 -2.482 1.00 0.00 H new ATOM 1417 N VAL A 97 -8.637 -6.463 -0.660 1.00 0.00 N ATOM 1418 CA VAL A 97 -7.855 -7.483 -1.348 1.00 0.00 C ATOM 1419 C VAL A 97 -7.793 -8.771 -0.534 1.00 0.00 C ATOM 1420 O VAL A 97 -7.508 -8.747 0.663 1.00 0.00 O ATOM 1421 CB VAL A 97 -6.421 -6.997 -1.628 1.00 0.00 C ATOM 1422 CG1 VAL A 97 -6.436 -5.804 -2.572 1.00 0.00 C ATOM 1423 CG2 VAL A 97 -5.713 -6.648 -0.327 1.00 0.00 C ATOM 0 H VAL A 97 -8.676 -6.573 0.353 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.356 -7.679 -2.296 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.870 -7.805 -2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.414 -5.474 -2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.902 -6.092 -3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.003 -4.990 -2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.701 -6.306 -0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.261 -5.857 0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.669 -7.530 0.311 1.00 0.00 H new ATOM 1433 N ARG A 98 -8.062 -9.894 -1.192 1.00 0.00 N ATOM 1434 CA ARG A 98 -8.038 -11.192 -0.529 1.00 0.00 C ATOM 1435 C ARG A 98 -6.654 -11.827 -0.627 1.00 0.00 C ATOM 1436 O ARG A 98 -6.011 -11.780 -1.676 1.00 0.00 O ATOM 1437 CB ARG A 98 -9.083 -12.123 -1.147 1.00 0.00 C ATOM 1438 CG ARG A 98 -9.600 -13.181 -0.185 1.00 0.00 C ATOM 1439 CD ARG A 98 -10.189 -14.370 -0.929 1.00 0.00 C ATOM 1440 NE ARG A 98 -11.003 -15.213 -0.057 1.00 0.00 N ATOM 1441 CZ ARG A 98 -12.270 -14.952 0.241 1.00 0.00 C ATOM 1442 NH1 ARG A 98 -12.866 -13.879 -0.259 1.00 0.00 N ATOM 1443 NH2 ARG A 98 -12.945 -15.767 1.042 1.00 0.00 N ATOM 0 H ARG A 98 -8.299 -9.931 -2.183 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.275 -11.039 0.524 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -9.923 -11.527 -1.504 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.649 -12.616 -2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.787 -13.519 0.457 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -10.359 -12.744 0.464 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -10.798 -14.012 -1.759 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.383 -14.965 -1.358 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.575 -16.047 0.345 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -12.351 -13.250 -0.875 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -13.840 -13.682 -0.028 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.490 -16.594 1.429 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.919 -15.566 1.271 1.00 0.00 H new ATOM 1457 N VAL A 99 -6.201 -12.420 0.473 1.00 0.00 N ATOM 1458 CA VAL A 99 -4.894 -13.064 0.511 1.00 0.00 C ATOM 1459 C VAL A 99 -5.016 -14.568 0.288 1.00 0.00 C ATOM 1460 O VAL A 99 -5.847 -15.232 0.905 1.00 0.00 O ATOM 1461 CB VAL A 99 -4.183 -12.812 1.854 1.00 0.00 C ATOM 1462 CG1 VAL A 99 -4.855 -13.597 2.970 1.00 0.00 C ATOM 1463 CG2 VAL A 99 -2.709 -13.172 1.751 1.00 0.00 C ATOM 0 H VAL A 99 -6.720 -12.468 1.350 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.302 -12.627 -0.293 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.259 -11.751 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.339 -13.406 3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.896 -13.286 3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.812 -14.662 2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.222 -12.988 2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.609 -14.225 1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.238 -12.561 0.981 1.00 0.00 H new ATOM 1473 N GLY A 100 -4.181 -15.098 -0.600 1.00 0.00 N ATOM 1474 CA GLY A 100 -4.211 -16.520 -0.890 1.00 0.00 C ATOM 1475 C GLY A 100 -3.247 -16.907 -1.994 1.00 0.00 C ATOM 1476 O GLY A 100 -3.085 -16.176 -2.970 1.00 0.00 O ATOM 0 H GLY A 100 -3.484 -14.568 -1.124 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.966 -17.077 0.014 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.222 -16.808 -1.177 1.00 0.00 H new