USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 751 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 62 LYS NZ :NH3+ -134:sc= -2.19! (180deg=-4.94!) USER MOD Set 1.2: A 80 SER OG : rot 180:sc= 0.242 USER MOD Set 2.1: A 23 GLN :FLIP amide:sc= 0.0902 F(o=-4.8,f=-1.2) USER MOD Set 2.2: A 26 GLN :FLIP amide:sc= -1.33 F(o=-4.8!,f=-1.2) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 5 ASN : amide:sc= -0.433 X(o=-0.43,f=-0.058) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.749 F(o=-3.2!,f=-0.75) USER MOD Single : A 16 HIS : no HD1:sc= 1.09 K(o=1.1,f=-4.5!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 170:sc=-0.00284 (180deg=-0.0947) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.859 F(o=-1.7!,f=-0.86) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 47:sc= 1.09 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -1.54 F(o=-3.2!,f=-1.5) USER MOD Single : A 52 THR OG1 : rot -142:sc= -1.93 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0125) USER MOD Single : A 56 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-8!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 MET CE :methyl 144:sc= -1.2 (180deg=-3.76!) USER MOD Single : A 78 LYS NZ :NH3+ -134:sc= 0.0647 (180deg=-0.466) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -166:sc= 1.21 (180deg=0.504) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N THR A 3 -4.880 15.830 2.113 1.00 0.00 N ATOM 26 CA THR A 3 -4.614 14.583 1.421 1.00 0.00 C ATOM 27 C THR A 3 -5.879 13.711 1.405 1.00 0.00 C ATOM 28 O THR A 3 -6.866 14.018 2.079 1.00 0.00 O ATOM 29 CB THR A 3 -3.444 13.836 2.102 1.00 0.00 C ATOM 30 OG1 THR A 3 -3.091 12.674 1.353 1.00 0.00 O ATOM 31 CG2 THR A 3 -3.802 13.436 3.525 1.00 0.00 C ATOM 0 HA THR A 3 -4.330 14.800 0.391 1.00 0.00 H new ATOM 0 HB THR A 3 -2.592 14.516 2.136 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.348 12.213 1.796 1.00 0.00 H new ATOM 0 HG21 THR A 3 -2.960 12.913 3.979 1.00 0.00 H new ATOM 0 HG22 THR A 3 -4.031 14.329 4.107 1.00 0.00 H new ATOM 0 HG23 THR A 3 -4.672 12.780 3.510 1.00 0.00 H new ATOM 39 N ARG A 4 -5.848 12.631 0.641 1.00 0.00 N ATOM 40 CA ARG A 4 -7.007 11.773 0.534 1.00 0.00 C ATOM 41 C ARG A 4 -6.941 10.646 1.541 1.00 0.00 C ATOM 42 O ARG A 4 -5.953 9.916 1.636 1.00 0.00 O ATOM 43 CB ARG A 4 -7.215 11.255 -0.891 1.00 0.00 C ATOM 44 CG ARG A 4 -5.982 10.702 -1.577 1.00 0.00 C ATOM 45 CD ARG A 4 -5.386 11.739 -2.510 1.00 0.00 C ATOM 46 NE ARG A 4 -6.314 12.086 -3.585 1.00 0.00 N ATOM 47 CZ ARG A 4 -6.036 12.924 -4.581 1.00 0.00 C ATOM 48 NH1 ARG A 4 -4.818 13.440 -4.708 1.00 0.00 N ATOM 49 NH2 ARG A 4 -6.976 13.212 -5.471 1.00 0.00 N ATOM 0 H ARG A 4 -5.041 12.334 0.093 1.00 0.00 H new ATOM 0 HA ARG A 4 -7.882 12.378 0.770 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.975 10.474 -0.866 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.612 12.068 -1.499 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.244 10.408 -0.831 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.242 9.805 -2.139 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.130 12.635 -1.945 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.459 11.356 -2.937 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.239 11.656 -3.571 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.088 13.195 -4.039 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.613 14.081 -5.474 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.902 12.792 -5.389 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -6.773 13.853 -6.238 1.00 0.00 H new ATOM 63 N ASN A 5 -8.002 10.558 2.325 1.00 0.00 N ATOM 64 CA ASN A 5 -8.104 9.596 3.393 1.00 0.00 C ATOM 65 C ASN A 5 -8.701 8.305 2.868 1.00 0.00 C ATOM 66 O ASN A 5 -9.582 8.322 2.005 1.00 0.00 O ATOM 67 CB ASN A 5 -8.993 10.143 4.505 1.00 0.00 C ATOM 68 CG ASN A 5 -8.829 11.632 4.713 1.00 0.00 C ATOM 69 OD1 ASN A 5 -9.604 12.433 4.192 1.00 0.00 O ATOM 70 ND2 ASN A 5 -7.802 12.010 5.442 1.00 0.00 N ATOM 0 H ASN A 5 -8.820 11.160 2.232 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.106 9.404 3.788 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.035 9.927 4.269 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.763 9.624 5.435 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -7.622 13.002 5.594 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.185 11.311 5.855 1.00 0.00 H new ATOM 77 N PHE A 6 -8.243 7.196 3.405 1.00 0.00 N ATOM 78 CA PHE A 6 -8.693 5.898 2.960 1.00 0.00 C ATOM 79 C PHE A 6 -9.088 5.039 4.142 1.00 0.00 C ATOM 80 O PHE A 6 -8.498 5.129 5.216 1.00 0.00 O ATOM 81 CB PHE A 6 -7.600 5.198 2.159 1.00 0.00 C ATOM 82 CG PHE A 6 -7.348 5.798 0.808 1.00 0.00 C ATOM 83 CD1 PHE A 6 -6.462 6.851 0.652 1.00 0.00 C ATOM 84 CD2 PHE A 6 -7.987 5.296 -0.310 1.00 0.00 C ATOM 85 CE1 PHE A 6 -6.216 7.389 -0.596 1.00 0.00 C ATOM 86 CE2 PHE A 6 -7.749 5.830 -1.559 1.00 0.00 C ATOM 87 CZ PHE A 6 -6.861 6.878 -1.704 1.00 0.00 C ATOM 0 H PHE A 6 -7.554 7.169 4.156 1.00 0.00 H new ATOM 0 HA PHE A 6 -9.564 6.043 2.320 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -6.674 5.221 2.733 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -7.872 4.150 2.034 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -5.957 7.256 1.517 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.681 4.475 -0.204 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.520 8.208 -0.705 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -8.257 5.429 -2.424 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.672 7.296 -2.682 1.00 0.00 H new ATOM 97 N VAL A 7 -10.107 4.234 3.937 1.00 0.00 N ATOM 98 CA VAL A 7 -10.534 3.266 4.924 1.00 0.00 C ATOM 99 C VAL A 7 -10.268 1.869 4.386 1.00 0.00 C ATOM 100 O VAL A 7 -10.657 1.546 3.265 1.00 0.00 O ATOM 101 CB VAL A 7 -12.033 3.429 5.249 1.00 0.00 C ATOM 102 CG1 VAL A 7 -12.461 2.469 6.336 1.00 0.00 C ATOM 103 CG2 VAL A 7 -12.333 4.855 5.661 1.00 0.00 C ATOM 0 H VAL A 7 -10.663 4.232 3.082 1.00 0.00 H new ATOM 0 HA VAL A 7 -9.974 3.427 5.845 1.00 0.00 H new ATOM 0 HB VAL A 7 -12.600 3.197 4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -13.522 2.606 6.545 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.285 1.445 6.007 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -11.885 2.663 7.241 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.395 4.953 5.887 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -11.749 5.109 6.546 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.071 5.532 4.847 1.00 0.00 H new ATOM 113 N LEU A 8 -9.585 1.059 5.171 1.00 0.00 N ATOM 114 CA LEU A 8 -9.179 -0.267 4.733 1.00 0.00 C ATOM 115 C LEU A 8 -10.385 -1.173 4.529 1.00 0.00 C ATOM 116 O LEU A 8 -11.243 -1.250 5.394 1.00 0.00 O ATOM 117 CB LEU A 8 -8.264 -0.901 5.776 1.00 0.00 C ATOM 118 CG LEU A 8 -7.799 -2.317 5.449 1.00 0.00 C ATOM 119 CD1 LEU A 8 -6.441 -2.295 4.764 1.00 0.00 C ATOM 120 CD2 LEU A 8 -7.774 -3.162 6.708 1.00 0.00 C ATOM 0 H LEU A 8 -9.297 1.295 6.121 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.653 -0.157 3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.387 -0.266 5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.785 -0.918 6.733 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.507 -2.768 4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.130 -3.315 4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.510 -1.725 3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.709 -1.828 5.423 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.441 -4.170 6.463 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.088 -2.719 7.430 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.775 -3.205 7.137 1.00 0.00 H new ATOM 132 N ARG A 9 -10.463 -1.833 3.384 1.00 0.00 N ATOM 133 CA ARG A 9 -11.403 -2.922 3.189 1.00 0.00 C ATOM 134 C ARG A 9 -10.631 -4.231 3.187 1.00 0.00 C ATOM 135 O ARG A 9 -9.652 -4.380 2.453 1.00 0.00 O ATOM 136 CB ARG A 9 -12.163 -2.775 1.867 1.00 0.00 C ATOM 137 CG ARG A 9 -12.978 -1.501 1.750 1.00 0.00 C ATOM 138 CD ARG A 9 -13.803 -1.494 0.471 1.00 0.00 C ATOM 139 NE ARG A 9 -14.885 -2.485 0.504 1.00 0.00 N ATOM 140 CZ ARG A 9 -15.350 -3.130 -0.571 1.00 0.00 C ATOM 141 NH1 ARG A 9 -14.795 -2.930 -1.762 1.00 0.00 N ATOM 142 NH2 ARG A 9 -16.368 -3.976 -0.448 1.00 0.00 N ATOM 0 H ARG A 9 -9.881 -1.630 2.571 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.134 -2.905 3.998 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.448 -2.811 1.045 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -12.829 -3.630 1.748 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.638 -1.407 2.613 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.313 -0.638 1.762 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.226 -0.501 0.319 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.153 -1.697 -0.380 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.310 -2.696 1.407 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.012 -2.283 -1.858 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -15.152 -3.423 -2.580 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.794 -4.132 0.466 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.724 -4.469 -1.267 1.00 0.00 H new ATOM 156 N ASP A 10 -11.063 -5.172 4.003 1.00 0.00 N ATOM 157 CA ASP A 10 -10.338 -6.423 4.166 1.00 0.00 C ATOM 158 C ASP A 10 -10.765 -7.464 3.134 1.00 0.00 C ATOM 159 O ASP A 10 -11.435 -7.138 2.152 1.00 0.00 O ATOM 160 CB ASP A 10 -10.529 -6.972 5.584 1.00 0.00 C ATOM 161 CG ASP A 10 -11.982 -7.211 5.959 1.00 0.00 C ATOM 162 OD1 ASP A 10 -12.865 -7.096 5.081 1.00 0.00 O ATOM 163 OD2 ASP A 10 -12.246 -7.503 7.147 1.00 0.00 O ATOM 0 H ASP A 10 -11.911 -5.097 4.564 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.281 -6.212 4.005 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.981 -7.909 5.678 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.090 -6.273 6.296 1.00 0.00 H new ATOM 168 N GLU A 11 -10.304 -8.698 3.350 1.00 0.00 N ATOM 169 CA GLU A 11 -10.685 -9.862 2.538 1.00 0.00 C ATOM 170 C GLU A 11 -12.153 -9.828 2.116 1.00 0.00 C ATOM 171 O GLU A 11 -12.480 -10.026 0.945 1.00 0.00 O ATOM 172 CB GLU A 11 -10.425 -11.155 3.314 1.00 0.00 C ATOM 173 CG GLU A 11 -8.989 -11.324 3.787 1.00 0.00 C ATOM 174 CD GLU A 11 -7.997 -11.365 2.646 1.00 0.00 C ATOM 175 OE1 GLU A 11 -8.017 -12.344 1.867 1.00 0.00 O ATOM 176 OE2 GLU A 11 -7.191 -10.424 2.523 1.00 0.00 O ATOM 0 H GLU A 11 -9.650 -8.922 4.100 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.073 -9.827 1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.086 -11.184 4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.689 -12.003 2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.733 -10.503 4.456 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.908 -12.244 4.366 1.00 0.00 H new ATOM 183 N ASP A 12 -13.023 -9.570 3.075 1.00 0.00 N ATOM 184 CA ASP A 12 -14.460 -9.550 2.819 1.00 0.00 C ATOM 185 C ASP A 12 -14.865 -8.224 2.190 1.00 0.00 C ATOM 186 O ASP A 12 -15.758 -8.157 1.344 1.00 0.00 O ATOM 187 CB ASP A 12 -15.237 -9.774 4.117 1.00 0.00 C ATOM 188 CG ASP A 12 -16.724 -9.951 3.883 1.00 0.00 C ATOM 189 OD1 ASP A 12 -17.133 -11.058 3.487 1.00 0.00 O ATOM 190 OD2 ASP A 12 -17.495 -8.992 4.113 1.00 0.00 O ATOM 0 H ASP A 12 -12.764 -9.371 4.041 1.00 0.00 H new ATOM 0 HA ASP A 12 -14.699 -10.357 2.126 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -14.845 -10.656 4.623 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -15.076 -8.926 4.783 1.00 0.00 H new ATOM 195 N GLY A 13 -14.190 -7.170 2.618 1.00 0.00 N ATOM 196 CA GLY A 13 -14.420 -5.859 2.058 1.00 0.00 C ATOM 197 C GLY A 13 -14.957 -4.899 3.091 1.00 0.00 C ATOM 198 O GLY A 13 -15.703 -3.977 2.765 1.00 0.00 O ATOM 0 H GLY A 13 -13.481 -7.202 3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -13.488 -5.469 1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -15.125 -5.935 1.230 1.00 0.00 H new ATOM 202 N ASN A 14 -14.557 -5.096 4.337 1.00 0.00 N ATOM 203 CA ASN A 14 -15.110 -4.344 5.435 1.00 0.00 C ATOM 204 C ASN A 14 -14.202 -3.184 5.763 1.00 0.00 C ATOM 205 O ASN A 14 -12.988 -3.289 5.625 1.00 0.00 O ATOM 206 CB ASN A 14 -15.253 -5.221 6.674 1.00 0.00 C ATOM 207 CG ASN A 14 -16.231 -6.376 6.518 1.00 0.00 C ATOM 208 OD1 ASN A 14 -16.337 -6.922 5.322 1.00 0.00 O flip ATOM 209 ND2 ASN A 14 -16.876 -6.786 7.482 1.00 0.00 N flip ATOM 0 H ASN A 14 -13.847 -5.776 4.607 1.00 0.00 H new ATOM 0 HA ASN A 14 -16.094 -3.981 5.139 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -14.274 -5.623 6.935 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -15.575 -4.599 7.509 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -16.770 -6.340 8.393 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -17.517 -7.572 7.370 1.00 0.00 H new ATOM 216 N GLU A 15 -14.795 -2.103 6.218 1.00 0.00 N ATOM 217 CA GLU A 15 -14.058 -0.893 6.542 1.00 0.00 C ATOM 218 C GLU A 15 -13.315 -1.044 7.856 1.00 0.00 C ATOM 219 O GLU A 15 -13.888 -1.456 8.867 1.00 0.00 O ATOM 220 CB GLU A 15 -14.982 0.314 6.605 1.00 0.00 C ATOM 221 CG GLU A 15 -16.345 -0.012 7.159 1.00 0.00 C ATOM 222 CD GLU A 15 -17.404 -0.016 6.083 1.00 0.00 C ATOM 223 OE1 GLU A 15 -17.483 -1.000 5.323 1.00 0.00 O ATOM 224 OE2 GLU A 15 -18.133 0.991 5.966 1.00 0.00 O ATOM 0 H GLU A 15 -15.800 -2.034 6.375 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.331 -0.732 5.746 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.521 1.085 7.222 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -15.094 0.731 5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -16.316 -0.988 7.643 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -16.609 0.717 7.926 1.00 0.00 H new ATOM 231 N HIS A 16 -12.041 -0.704 7.834 1.00 0.00 N ATOM 232 CA HIS A 16 -11.181 -0.866 8.984 1.00 0.00 C ATOM 233 C HIS A 16 -10.268 0.327 9.174 1.00 0.00 C ATOM 234 O HIS A 16 -10.477 1.386 8.581 1.00 0.00 O ATOM 235 CB HIS A 16 -10.333 -2.128 8.837 1.00 0.00 C ATOM 236 CG HIS A 16 -11.105 -3.407 8.947 1.00 0.00 C ATOM 237 ND1 HIS A 16 -11.643 -3.867 10.128 1.00 0.00 N ATOM 238 CD2 HIS A 16 -11.423 -4.332 8.012 1.00 0.00 C ATOM 239 CE1 HIS A 16 -12.252 -5.016 9.915 1.00 0.00 C ATOM 240 NE2 HIS A 16 -12.134 -5.321 8.640 1.00 0.00 N ATOM 0 H HIS A 16 -11.576 -0.308 7.017 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.824 -0.950 9.860 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -9.830 -2.103 7.870 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -9.555 -2.120 9.601 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -11.164 -4.297 6.964 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.762 -5.608 10.661 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -12.510 -6.157 8.193 1.00 0.00 H new ATOM 249 N GLY A 17 -9.353 0.109 10.115 1.00 0.00 N ATOM 250 CA GLY A 17 -8.235 1.003 10.407 1.00 0.00 C ATOM 251 C GLY A 17 -8.027 2.073 9.349 1.00 0.00 C ATOM 252 O GLY A 17 -7.981 1.782 8.156 1.00 0.00 O ATOM 0 H GLY A 17 -9.369 -0.718 10.712 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.405 1.483 11.371 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.323 0.414 10.501 1.00 0.00 H new ATOM 256 N VAL A 18 -7.909 3.308 9.785 1.00 0.00 N ATOM 257 CA VAL A 18 -7.832 4.443 8.867 1.00 0.00 C ATOM 258 C VAL A 18 -6.423 4.576 8.270 1.00 0.00 C ATOM 259 O VAL A 18 -5.442 4.128 8.867 1.00 0.00 O ATOM 260 CB VAL A 18 -8.246 5.757 9.581 1.00 0.00 C ATOM 261 CG1 VAL A 18 -7.238 6.147 10.649 1.00 0.00 C ATOM 262 CG2 VAL A 18 -8.445 6.893 8.588 1.00 0.00 C ATOM 0 H VAL A 18 -7.863 3.561 10.772 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.530 4.260 8.050 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.202 5.570 10.071 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.557 7.071 11.130 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.172 5.354 11.394 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.261 6.296 10.190 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.734 7.797 9.123 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.515 7.072 8.049 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.229 6.624 7.880 1.00 0.00 H new ATOM 272 N PHE A 19 -6.332 5.213 7.100 1.00 0.00 N ATOM 273 CA PHE A 19 -5.094 5.323 6.342 1.00 0.00 C ATOM 274 C PHE A 19 -5.147 6.611 5.528 1.00 0.00 C ATOM 275 O PHE A 19 -6.232 7.129 5.257 1.00 0.00 O ATOM 276 CB PHE A 19 -4.903 4.127 5.399 1.00 0.00 C ATOM 277 CG PHE A 19 -4.642 2.824 6.103 1.00 0.00 C ATOM 278 CD1 PHE A 19 -3.353 2.418 6.413 1.00 0.00 C ATOM 279 CD2 PHE A 19 -5.697 2.015 6.475 1.00 0.00 C ATOM 280 CE1 PHE A 19 -3.133 1.227 7.083 1.00 0.00 C ATOM 281 CE2 PHE A 19 -5.485 0.826 7.140 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.203 0.432 7.449 1.00 0.00 C ATOM 0 H PHE A 19 -7.126 5.670 6.652 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.253 5.334 7.036 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.794 4.021 4.780 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.071 4.337 4.727 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.514 3.036 6.129 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.707 2.319 6.241 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.125 0.919 7.320 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.324 0.205 7.418 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.033 -0.495 7.976 1.00 0.00 H new ATOM 292 N THR A 20 -3.992 7.137 5.154 1.00 0.00 N ATOM 293 CA THR A 20 -3.932 8.359 4.364 1.00 0.00 C ATOM 294 C THR A 20 -2.851 8.267 3.298 1.00 0.00 C ATOM 295 O THR A 20 -1.931 7.461 3.409 1.00 0.00 O ATOM 296 CB THR A 20 -3.661 9.587 5.253 1.00 0.00 C ATOM 297 OG1 THR A 20 -2.502 9.356 6.069 1.00 0.00 O ATOM 298 CG2 THR A 20 -4.852 9.875 6.144 1.00 0.00 C ATOM 0 H THR A 20 -3.082 6.738 5.384 1.00 0.00 H new ATOM 0 HA THR A 20 -4.903 8.476 3.883 1.00 0.00 H new ATOM 0 HB THR A 20 -3.488 10.446 4.605 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.335 10.142 6.630 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.640 10.746 6.764 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.728 10.073 5.527 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.045 9.013 6.783 1.00 0.00 H new ATOM 306 N GLY A 21 -2.973 9.078 2.262 1.00 0.00 N ATOM 307 CA GLY A 21 -1.962 9.109 1.230 1.00 0.00 C ATOM 308 C GLY A 21 -2.352 10.045 0.117 1.00 0.00 C ATOM 309 O GLY A 21 -3.535 10.235 -0.132 1.00 0.00 O ATOM 0 H GLY A 21 -3.755 9.716 2.117 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.011 9.425 1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.815 8.106 0.831 1.00 0.00 H new ATOM 313 N LYS A 22 -1.375 10.637 -0.555 1.00 0.00 N ATOM 314 CA LYS A 22 -1.660 11.606 -1.607 1.00 0.00 C ATOM 315 C LYS A 22 -2.205 10.907 -2.856 1.00 0.00 C ATOM 316 O LYS A 22 -2.621 11.552 -3.820 1.00 0.00 O ATOM 317 CB LYS A 22 -0.406 12.416 -1.931 1.00 0.00 C ATOM 318 CG LYS A 22 -0.686 13.683 -2.726 1.00 0.00 C ATOM 319 CD LYS A 22 -1.573 14.648 -1.948 1.00 0.00 C ATOM 320 CE LYS A 22 -0.905 15.117 -0.663 1.00 0.00 C ATOM 321 NZ LYS A 22 0.311 15.929 -0.932 1.00 0.00 N ATOM 0 H LYS A 22 -0.383 10.466 -0.393 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.428 12.293 -1.251 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.093 12.684 -1.000 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.285 11.789 -2.494 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.255 14.173 -2.975 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.169 13.423 -3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.807 15.511 -2.572 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.519 14.161 -1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.613 15.706 -0.081 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.636 14.252 -0.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.638 16.368 -0.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.060 15.316 -1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.086 16.672 -1.624 1.00 0.00 H new ATOM 335 N GLN A 23 -2.196 9.583 -2.815 1.00 0.00 N ATOM 336 CA GLN A 23 -2.824 8.744 -3.827 1.00 0.00 C ATOM 337 C GLN A 23 -3.042 7.360 -3.227 1.00 0.00 C ATOM 338 O GLN A 23 -2.391 7.009 -2.245 1.00 0.00 O ATOM 339 CB GLN A 23 -1.958 8.656 -5.093 1.00 0.00 C ATOM 340 CG GLN A 23 -0.500 8.311 -4.831 1.00 0.00 C ATOM 341 CD GLN A 23 0.223 7.815 -6.069 1.00 0.00 C ATOM 342 OE1 GLN A 23 1.269 7.023 -5.872 1.00 0.00 O flip ATOM 343 NE2 GLN A 23 -0.141 8.158 -7.191 1.00 0.00 N flip ATOM 0 H GLN A 23 -1.746 9.053 -2.068 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.778 9.180 -4.123 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.383 7.905 -5.758 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.005 9.610 -5.618 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.013 9.192 -4.446 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.447 7.547 -4.055 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.951 8.768 -7.300 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.367 7.832 -8.014 1.00 0.00 H new ATOM 352 N PRO A 24 -3.976 6.561 -3.788 1.00 0.00 N ATOM 353 CA PRO A 24 -4.406 5.283 -3.199 1.00 0.00 C ATOM 354 C PRO A 24 -3.304 4.283 -2.959 1.00 0.00 C ATOM 355 O PRO A 24 -3.520 3.325 -2.216 1.00 0.00 O ATOM 356 CB PRO A 24 -5.367 4.689 -4.219 1.00 0.00 C ATOM 357 CG PRO A 24 -5.149 5.465 -5.462 1.00 0.00 C ATOM 358 CD PRO A 24 -4.718 6.839 -5.028 1.00 0.00 C ATOM 0 HA PRO A 24 -4.829 5.483 -2.215 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.167 3.629 -4.377 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.400 4.771 -3.880 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -4.387 4.997 -6.085 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.061 5.513 -6.056 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.091 7.323 -5.777 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.570 7.496 -4.853 1.00 0.00 H new ATOM 366 N ARG A 25 -2.116 4.484 -3.519 1.00 0.00 N ATOM 367 CA ARG A 25 -1.086 3.485 -3.391 1.00 0.00 C ATOM 368 C ARG A 25 -0.259 3.895 -2.193 1.00 0.00 C ATOM 369 O ARG A 25 0.536 3.132 -1.666 1.00 0.00 O ATOM 370 CB ARG A 25 -0.209 3.461 -4.647 1.00 0.00 C ATOM 371 CG ARG A 25 1.021 2.575 -4.526 1.00 0.00 C ATOM 372 CD ARG A 25 2.026 2.855 -5.629 1.00 0.00 C ATOM 373 NE ARG A 25 3.375 2.419 -5.262 1.00 0.00 N ATOM 374 CZ ARG A 25 4.487 3.095 -5.568 1.00 0.00 C ATOM 375 NH1 ARG A 25 4.421 4.209 -6.283 1.00 0.00 N ATOM 376 NH2 ARG A 25 5.674 2.658 -5.161 1.00 0.00 N ATOM 0 H ARG A 25 -1.855 5.313 -4.053 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.511 2.489 -3.269 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.809 3.119 -5.490 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.110 4.478 -4.875 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.491 2.736 -3.556 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.720 1.528 -4.565 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.715 2.345 -6.541 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.037 3.923 -5.848 1.00 0.00 H new ATOM 0 HE ARG A 25 3.472 1.547 -4.742 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.517 4.556 -6.604 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.274 4.719 -6.512 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.741 1.801 -4.611 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.518 3.179 -5.398 1.00 0.00 H new ATOM 390 N GLN A 26 -0.485 5.141 -1.776 1.00 0.00 N ATOM 391 CA GLN A 26 0.213 5.735 -0.665 1.00 0.00 C ATOM 392 C GLN A 26 -0.513 5.434 0.623 1.00 0.00 C ATOM 393 O GLN A 26 0.068 5.555 1.689 1.00 0.00 O ATOM 394 CB GLN A 26 0.341 7.246 -0.853 1.00 0.00 C ATOM 395 CG GLN A 26 1.078 7.624 -2.121 1.00 0.00 C ATOM 396 CD GLN A 26 2.432 6.963 -2.220 1.00 0.00 C ATOM 397 OE1 GLN A 26 3.089 6.796 -1.088 1.00 0.00 O flip ATOM 398 NE2 GLN A 26 2.889 6.627 -3.311 1.00 0.00 N flip ATOM 0 H GLN A 26 -1.167 5.762 -2.212 1.00 0.00 H new ATOM 0 HA GLN A 26 1.214 5.307 -0.619 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.654 7.690 -0.872 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.863 7.670 0.005 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.476 7.343 -2.985 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.202 8.706 -2.157 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.344 6.776 -4.160 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.813 6.199 -3.367 1.00 0.00 H new ATOM 407 N ALA A 27 -1.783 5.043 0.533 1.00 0.00 N ATOM 408 CA ALA A 27 -2.491 4.556 1.697 1.00 0.00 C ATOM 409 C ALA A 27 -2.093 3.115 1.930 1.00 0.00 C ATOM 410 O ALA A 27 -1.662 2.753 3.017 1.00 0.00 O ATOM 411 CB ALA A 27 -3.992 4.678 1.504 1.00 0.00 C ATOM 0 H ALA A 27 -2.331 5.056 -0.327 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.226 5.156 2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.504 4.306 2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.255 5.724 1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.296 4.092 0.637 1.00 0.00 H new ATOM 417 N ALA A 28 -2.339 2.268 0.932 1.00 0.00 N ATOM 418 CA ALA A 28 -1.644 0.993 0.809 1.00 0.00 C ATOM 419 C ALA A 28 -0.193 1.070 1.252 1.00 0.00 C ATOM 420 O ALA A 28 0.287 0.210 1.990 1.00 0.00 O ATOM 421 CB ALA A 28 -1.733 0.539 -0.635 1.00 0.00 C ATOM 0 H ALA A 28 -3.020 2.446 0.193 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.126 0.274 1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.218 -0.415 -0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.780 0.422 -0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.265 1.283 -1.280 1.00 0.00 H new ATOM 427 N LEU A 29 0.492 2.111 0.805 1.00 0.00 N ATOM 428 CA LEU A 29 1.875 2.354 1.176 1.00 0.00 C ATOM 429 C LEU A 29 2.024 2.458 2.667 1.00 0.00 C ATOM 430 O LEU A 29 3.079 2.170 3.227 1.00 0.00 O ATOM 431 CB LEU A 29 2.352 3.662 0.603 1.00 0.00 C ATOM 432 CG LEU A 29 3.848 3.829 0.603 1.00 0.00 C ATOM 433 CD1 LEU A 29 4.333 3.851 -0.829 1.00 0.00 C ATOM 434 CD2 LEU A 29 4.238 5.075 1.381 1.00 0.00 C ATOM 0 H LEU A 29 0.103 2.812 0.174 1.00 0.00 H new ATOM 0 HA LEU A 29 2.457 1.518 0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.988 3.751 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.907 4.478 1.172 1.00 0.00 H new ATOM 0 HG LEU A 29 4.330 2.991 1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.416 3.972 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.065 2.915 -1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.868 4.683 -1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.322 5.184 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.782 5.950 0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.890 4.985 2.410 1.00 0.00 H new ATOM 446 N LYS A 30 0.958 2.846 3.315 1.00 0.00 N ATOM 447 CA LYS A 30 1.025 3.084 4.719 1.00 0.00 C ATOM 448 C LYS A 30 0.923 1.755 5.422 1.00 0.00 C ATOM 449 O LYS A 30 1.733 1.457 6.289 1.00 0.00 O ATOM 450 CB LYS A 30 -0.089 4.017 5.179 1.00 0.00 C ATOM 451 CG LYS A 30 -0.031 5.375 4.519 1.00 0.00 C ATOM 452 CD LYS A 30 1.011 6.280 5.157 1.00 0.00 C ATOM 453 CE LYS A 30 0.661 6.573 6.600 1.00 0.00 C ATOM 454 NZ LYS A 30 1.624 7.510 7.240 1.00 0.00 N ATOM 0 H LYS A 30 0.043 3.001 2.891 1.00 0.00 H new ATOM 0 HA LYS A 30 1.969 3.572 4.961 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.053 3.556 4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.028 4.142 6.260 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.196 5.253 3.460 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.010 5.850 4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.991 5.806 5.105 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.079 7.213 4.598 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.342 6.998 6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.639 5.639 7.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.341 7.679 8.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.578 7.095 7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.627 8.412 6.722 1.00 0.00 H new ATOM 468 N ALA A 31 -0.053 0.917 5.038 1.00 0.00 N ATOM 469 CA ALA A 31 -0.227 -0.372 5.689 1.00 0.00 C ATOM 470 C ALA A 31 0.901 -1.329 5.370 1.00 0.00 C ATOM 471 O ALA A 31 1.138 -2.280 6.109 1.00 0.00 O ATOM 472 CB ALA A 31 -1.548 -0.991 5.262 1.00 0.00 C ATOM 0 H ALA A 31 -0.719 1.113 4.291 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.222 -0.196 6.765 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.673 -1.956 5.753 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.368 -0.331 5.546 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.552 -1.130 4.181 1.00 0.00 H new ATOM 478 N ALA A 32 1.598 -1.083 4.278 1.00 0.00 N ATOM 479 CA ALA A 32 2.642 -1.986 3.849 1.00 0.00 C ATOM 480 C ALA A 32 3.822 -1.988 4.815 1.00 0.00 C ATOM 481 O ALA A 32 4.678 -2.867 4.762 1.00 0.00 O ATOM 482 CB ALA A 32 3.097 -1.656 2.438 1.00 0.00 C ATOM 0 H ALA A 32 1.460 -0.271 3.677 1.00 0.00 H new ATOM 0 HA ALA A 32 2.222 -2.992 3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.883 -2.349 2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.253 -1.745 1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.482 -0.637 2.409 1.00 0.00 H new ATOM 488 N ASN A 33 3.842 -1.012 5.712 1.00 0.00 N ATOM 489 CA ASN A 33 4.885 -0.943 6.727 1.00 0.00 C ATOM 490 C ASN A 33 4.729 -2.149 7.665 1.00 0.00 C ATOM 491 O ASN A 33 5.688 -2.854 7.965 1.00 0.00 O ATOM 492 CB ASN A 33 4.826 0.392 7.490 1.00 0.00 C ATOM 493 CG ASN A 33 3.897 0.370 8.688 1.00 0.00 C ATOM 494 OD1 ASN A 33 2.600 0.282 8.434 1.00 0.00 O flip ATOM 495 ND2 ASN A 33 4.345 0.389 9.831 1.00 0.00 N flip ATOM 0 H ASN A 33 3.153 -0.261 5.758 1.00 0.00 H new ATOM 0 HA ASN A 33 5.867 -0.983 6.256 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.830 0.653 7.825 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.504 1.177 6.806 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.351 0.458 9.983 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.711 0.336 10.628 1.00 0.00 H new ATOM 502 N ARG A 34 3.493 -2.366 8.100 1.00 0.00 N ATOM 503 CA ARG A 34 3.094 -3.573 8.824 1.00 0.00 C ATOM 504 C ARG A 34 2.767 -4.707 7.857 1.00 0.00 C ATOM 505 O ARG A 34 2.095 -5.677 8.213 1.00 0.00 O ATOM 506 CB ARG A 34 1.899 -3.291 9.736 1.00 0.00 C ATOM 507 CG ARG A 34 0.753 -2.561 9.057 1.00 0.00 C ATOM 508 CD ARG A 34 -0.549 -3.331 9.168 1.00 0.00 C ATOM 509 NE ARG A 34 -0.710 -4.326 8.103 1.00 0.00 N ATOM 510 CZ ARG A 34 -1.845 -4.994 7.877 1.00 0.00 C ATOM 511 NH1 ARG A 34 -2.905 -4.792 8.649 1.00 0.00 N ATOM 512 NH2 ARG A 34 -1.927 -5.861 6.877 1.00 0.00 N ATOM 0 H ARG A 34 2.730 -1.704 7.960 1.00 0.00 H new ATOM 0 HA ARG A 34 3.935 -3.883 9.444 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.528 -4.236 10.132 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.238 -2.700 10.587 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.632 -1.576 9.507 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.994 -2.404 8.006 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.589 -3.831 10.136 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.384 -2.631 9.135 1.00 0.00 H new ATOM 0 HE ARG A 34 0.090 -4.519 7.500 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.856 -4.125 9.419 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.769 -5.304 8.473 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.120 -6.022 6.274 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.797 -6.367 6.711 1.00 0.00 H new ATOM 526 N GLY A 35 3.228 -4.563 6.625 1.00 0.00 N ATOM 527 CA GLY A 35 2.994 -5.563 5.620 1.00 0.00 C ATOM 528 C GLY A 35 3.977 -6.697 5.752 1.00 0.00 C ATOM 529 O GLY A 35 5.064 -6.663 5.169 1.00 0.00 O ATOM 0 H GLY A 35 3.767 -3.758 6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.977 -5.945 5.711 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.079 -5.116 4.630 1.00 0.00 H new ATOM 533 N SER A 36 3.596 -7.696 6.525 1.00 0.00 N ATOM 534 CA SER A 36 4.435 -8.862 6.765 1.00 0.00 C ATOM 535 C SER A 36 4.397 -9.799 5.559 1.00 0.00 C ATOM 536 O SER A 36 4.171 -11.001 5.691 1.00 0.00 O ATOM 537 CB SER A 36 3.960 -9.596 8.020 1.00 0.00 C ATOM 538 OG SER A 36 3.876 -8.715 9.130 1.00 0.00 O ATOM 0 H SER A 36 2.697 -7.725 7.006 1.00 0.00 H new ATOM 0 HA SER A 36 5.463 -8.532 6.916 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.984 -10.045 7.834 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.647 -10.410 8.250 1.00 0.00 H new ATOM 0 HG SER A 36 3.568 -9.210 9.918 1.00 0.00 H new ATOM 544 N GLY A 37 4.612 -9.227 4.386 1.00 0.00 N ATOM 545 CA GLY A 37 4.615 -9.993 3.167 1.00 0.00 C ATOM 546 C GLY A 37 5.875 -9.754 2.372 1.00 0.00 C ATOM 547 O GLY A 37 6.846 -9.189 2.882 1.00 0.00 O ATOM 0 H GLY A 37 4.787 -8.230 4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.526 -11.054 3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.747 -9.726 2.565 1.00 0.00 H new ATOM 551 N THR A 38 5.855 -10.165 1.123 1.00 0.00 N ATOM 552 CA THR A 38 7.010 -10.029 0.250 1.00 0.00 C ATOM 553 C THR A 38 6.550 -10.176 -1.190 1.00 0.00 C ATOM 554 O THR A 38 5.403 -10.536 -1.409 1.00 0.00 O ATOM 555 CB THR A 38 8.121 -11.050 0.596 1.00 0.00 C ATOM 556 OG1 THR A 38 9.259 -10.904 -0.262 1.00 0.00 O ATOM 557 CG2 THR A 38 7.596 -12.458 0.487 1.00 0.00 C ATOM 0 H THR A 38 5.045 -10.601 0.682 1.00 0.00 H new ATOM 0 HA THR A 38 7.450 -9.042 0.394 1.00 0.00 H new ATOM 0 HB THR A 38 8.433 -10.852 1.622 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.499 -9.956 -0.328 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.390 -13.163 0.734 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.765 -12.591 1.180 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.252 -12.640 -0.531 1.00 0.00 H new ATOM 565 N LYS A 39 7.407 -9.921 -2.165 1.00 0.00 N ATOM 566 CA LYS A 39 7.000 -10.002 -3.567 1.00 0.00 C ATOM 567 C LYS A 39 6.561 -11.428 -3.932 1.00 0.00 C ATOM 568 O LYS A 39 5.874 -11.647 -4.931 1.00 0.00 O ATOM 569 CB LYS A 39 8.144 -9.548 -4.476 1.00 0.00 C ATOM 570 CG LYS A 39 7.703 -9.223 -5.895 1.00 0.00 C ATOM 571 CD LYS A 39 8.895 -9.056 -6.822 1.00 0.00 C ATOM 572 CE LYS A 39 8.475 -8.529 -8.183 1.00 0.00 C ATOM 573 NZ LYS A 39 9.574 -8.633 -9.177 1.00 0.00 N ATOM 0 H LYS A 39 8.382 -9.658 -2.019 1.00 0.00 H new ATOM 0 HA LYS A 39 6.148 -9.339 -3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.615 -8.667 -4.040 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.902 -10.331 -4.510 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.059 -10.019 -6.268 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.111 -8.308 -5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.614 -8.371 -6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.400 -10.014 -6.942 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.609 -9.088 -8.538 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.166 -7.488 -8.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.249 -8.264 -10.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.391 -8.079 -8.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.852 -9.629 -9.284 1.00 0.00 H new ATOM 587 N ALA A 40 6.928 -12.382 -3.086 1.00 0.00 N ATOM 588 CA ALA A 40 6.619 -13.787 -3.315 1.00 0.00 C ATOM 589 C ALA A 40 5.189 -14.090 -2.920 1.00 0.00 C ATOM 590 O ALA A 40 4.533 -14.963 -3.486 1.00 0.00 O ATOM 591 CB ALA A 40 7.560 -14.667 -2.515 1.00 0.00 C ATOM 0 H ALA A 40 7.446 -12.205 -2.225 1.00 0.00 H new ATOM 0 HA ALA A 40 6.745 -13.994 -4.378 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.319 -15.715 -2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.588 -14.473 -2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.450 -14.446 -1.453 1.00 0.00 H new ATOM 597 N ASN A 41 4.718 -13.340 -1.943 1.00 0.00 N ATOM 598 CA ASN A 41 3.399 -13.530 -1.371 1.00 0.00 C ATOM 599 C ASN A 41 3.028 -12.301 -0.548 1.00 0.00 C ATOM 600 O ASN A 41 3.057 -12.317 0.678 1.00 0.00 O ATOM 601 CB ASN A 41 3.329 -14.834 -0.542 1.00 0.00 C ATOM 602 CG ASN A 41 4.470 -15.033 0.462 1.00 0.00 C ATOM 603 OD1 ASN A 41 4.983 -13.958 1.034 1.00 0.00 O flip ATOM 604 ND2 ASN A 41 4.871 -16.164 0.734 1.00 0.00 N flip ATOM 0 H ASN A 41 5.244 -12.575 -1.520 1.00 0.00 H new ATOM 0 HA ASN A 41 2.668 -13.640 -2.172 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.383 -14.851 -0.000 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.318 -15.681 -1.228 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.456 -16.976 0.277 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.618 -16.290 1.417 1.00 0.00 H new ATOM 611 N PRO A 42 2.725 -11.195 -1.238 1.00 0.00 N ATOM 612 CA PRO A 42 2.453 -9.897 -0.606 1.00 0.00 C ATOM 613 C PRO A 42 1.329 -9.932 0.425 1.00 0.00 C ATOM 614 O PRO A 42 0.816 -10.984 0.802 1.00 0.00 O ATOM 615 CB PRO A 42 2.051 -9.005 -1.781 1.00 0.00 C ATOM 616 CG PRO A 42 2.652 -9.641 -2.982 1.00 0.00 C ATOM 617 CD PRO A 42 2.656 -11.117 -2.710 1.00 0.00 C ATOM 0 HA PRO A 42 3.323 -9.552 -0.047 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.967 -8.940 -1.872 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.421 -7.989 -1.648 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.073 -9.411 -3.876 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.664 -9.273 -3.153 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.758 -11.599 -3.096 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.508 -11.609 -3.179 1.00 0.00 H new ATOM 625 N ASP A 43 0.927 -8.754 0.838 1.00 0.00 N ATOM 626 CA ASP A 43 -0.113 -8.595 1.841 1.00 0.00 C ATOM 627 C ASP A 43 -1.255 -7.816 1.203 1.00 0.00 C ATOM 628 O ASP A 43 -1.147 -6.610 0.985 1.00 0.00 O ATOM 629 CB ASP A 43 0.442 -7.865 3.069 1.00 0.00 C ATOM 630 CG ASP A 43 -0.549 -7.763 4.215 1.00 0.00 C ATOM 631 OD1 ASP A 43 -1.506 -8.566 4.271 1.00 0.00 O ATOM 632 OD2 ASP A 43 -0.338 -6.908 5.102 1.00 0.00 O ATOM 0 H ASP A 43 1.309 -7.874 0.491 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.475 -9.565 2.181 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.335 -8.384 3.417 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.751 -6.861 2.776 1.00 0.00 H new ATOM 637 N ILE A 44 -2.327 -8.517 0.862 1.00 0.00 N ATOM 638 CA ILE A 44 -3.373 -7.959 0.019 1.00 0.00 C ATOM 639 C ILE A 44 -4.320 -7.039 0.796 1.00 0.00 C ATOM 640 O ILE A 44 -5.200 -7.486 1.530 1.00 0.00 O ATOM 641 CB ILE A 44 -4.161 -9.086 -0.690 1.00 0.00 C ATOM 642 CG1 ILE A 44 -5.267 -8.495 -1.550 1.00 0.00 C ATOM 643 CG2 ILE A 44 -4.726 -10.087 0.305 1.00 0.00 C ATOM 644 CD1 ILE A 44 -4.752 -7.708 -2.731 1.00 0.00 C ATOM 0 H ILE A 44 -2.495 -9.478 1.158 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.882 -7.345 -0.736 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.467 -9.626 -1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.907 -9.301 -1.911 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.889 -7.846 -0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.273 -10.863 -0.230 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.910 -10.540 0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.401 -9.576 0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.594 -7.315 -3.301 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.136 -6.881 -2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.154 -8.359 -3.369 1.00 0.00 H new ATOM 656 N ILE A 45 -4.115 -5.742 0.643 1.00 0.00 N ATOM 657 CA ILE A 45 -4.955 -4.755 1.292 1.00 0.00 C ATOM 658 C ILE A 45 -5.663 -3.863 0.292 1.00 0.00 C ATOM 659 O ILE A 45 -5.060 -3.345 -0.644 1.00 0.00 O ATOM 660 CB ILE A 45 -4.131 -3.882 2.230 1.00 0.00 C ATOM 661 CG1 ILE A 45 -2.953 -3.249 1.496 1.00 0.00 C ATOM 662 CG2 ILE A 45 -3.634 -4.692 3.397 1.00 0.00 C ATOM 663 CD1 ILE A 45 -3.228 -1.850 1.046 1.00 0.00 C ATOM 0 H ILE A 45 -3.368 -5.348 0.071 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.706 -5.307 1.857 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.775 -3.084 2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.082 -3.249 2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.701 -3.860 0.630 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.047 -4.055 4.058 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.483 -5.099 3.945 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.011 -5.509 3.034 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.353 -1.455 0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.081 -1.847 0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.452 -1.227 1.912 1.00 0.00 H new ATOM 675 N ARG A 46 -6.957 -3.730 0.434 1.00 0.00 N ATOM 676 CA ARG A 46 -7.713 -2.811 -0.412 1.00 0.00 C ATOM 677 C ARG A 46 -8.221 -1.586 0.335 1.00 0.00 C ATOM 678 O ARG A 46 -9.006 -1.712 1.261 1.00 0.00 O ATOM 679 CB ARG A 46 -8.901 -3.604 -0.931 1.00 0.00 C ATOM 680 CG ARG A 46 -9.908 -2.820 -1.734 1.00 0.00 C ATOM 681 CD ARG A 46 -11.059 -3.725 -2.114 1.00 0.00 C ATOM 682 NE ARG A 46 -10.594 -4.927 -2.803 1.00 0.00 N ATOM 683 CZ ARG A 46 -10.763 -6.175 -2.341 1.00 0.00 C ATOM 684 NH1 ARG A 46 -11.409 -6.386 -1.198 1.00 0.00 N ATOM 685 NH2 ARG A 46 -10.277 -7.209 -3.012 1.00 0.00 N ATOM 0 H ARG A 46 -7.516 -4.238 1.120 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.064 -2.435 -1.203 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.528 -4.421 -1.548 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.413 -4.055 -0.081 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.273 -1.973 -1.153 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.439 -2.414 -2.630 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.610 -4.009 -1.218 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.753 -3.182 -2.756 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.110 -4.809 -3.693 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.779 -5.597 -0.668 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.535 -7.337 -0.851 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.771 -7.058 -3.885 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.409 -8.156 -2.656 1.00 0.00 H new ATOM 699 N LEU A 47 -7.786 -0.399 -0.058 1.00 0.00 N ATOM 700 CA LEU A 47 -8.307 0.825 0.534 1.00 0.00 C ATOM 701 C LEU A 47 -9.599 1.297 -0.130 1.00 0.00 C ATOM 702 O LEU A 47 -9.939 0.903 -1.246 1.00 0.00 O ATOM 703 CB LEU A 47 -7.264 1.952 0.497 1.00 0.00 C ATOM 704 CG LEU A 47 -6.149 1.854 1.543 1.00 0.00 C ATOM 705 CD1 LEU A 47 -6.731 1.622 2.926 1.00 0.00 C ATOM 706 CD2 LEU A 47 -5.161 0.759 1.188 1.00 0.00 C ATOM 0 H LEU A 47 -7.079 -0.256 -0.779 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.536 0.583 1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.809 1.970 -0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.779 2.904 0.628 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.611 2.802 1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.923 1.555 3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.388 2.451 3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.300 0.693 2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.381 0.712 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.680 -0.198 1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.711 0.975 0.219 1.00 0.00 H new ATOM 718 N ARG A 48 -10.302 2.155 0.590 1.00 0.00 N ATOM 719 CA ARG A 48 -11.549 2.743 0.126 1.00 0.00 C ATOM 720 C ARG A 48 -11.492 4.236 0.394 1.00 0.00 C ATOM 721 O ARG A 48 -11.170 4.649 1.507 1.00 0.00 O ATOM 722 CB ARG A 48 -12.757 2.128 0.849 1.00 0.00 C ATOM 723 CG ARG A 48 -14.097 2.472 0.207 1.00 0.00 C ATOM 724 CD ARG A 48 -15.266 1.799 0.922 1.00 0.00 C ATOM 725 NE ARG A 48 -15.613 2.464 2.179 1.00 0.00 N ATOM 726 CZ ARG A 48 -16.259 1.873 3.188 1.00 0.00 C ATOM 727 NH1 ARG A 48 -16.614 0.594 3.109 1.00 0.00 N ATOM 728 NH2 ARG A 48 -16.576 2.574 4.268 1.00 0.00 N ATOM 0 H ARG A 48 -10.022 2.466 1.520 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.669 2.546 -0.939 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -12.643 1.044 0.871 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -12.762 2.469 1.884 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.238 3.553 0.220 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.087 2.165 -0.839 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -16.136 1.795 0.265 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.014 0.758 1.123 1.00 0.00 H new ATOM 0 HE ARG A 48 -15.344 3.441 2.292 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.393 0.054 2.272 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -17.107 0.153 3.885 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -16.327 3.561 4.327 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -17.069 2.126 5.040 1.00 0.00 H new ATOM 742 N GLU A 49 -11.802 5.046 -0.599 1.00 0.00 N ATOM 743 CA GLU A 49 -11.703 6.483 -0.438 1.00 0.00 C ATOM 744 C GLU A 49 -12.912 6.993 0.290 1.00 0.00 C ATOM 745 O GLU A 49 -13.913 7.314 -0.315 1.00 0.00 O ATOM 746 CB GLU A 49 -11.599 7.176 -1.774 1.00 0.00 C ATOM 747 CG GLU A 49 -10.243 7.780 -2.049 1.00 0.00 C ATOM 748 CD GLU A 49 -10.085 8.211 -3.492 1.00 0.00 C ATOM 749 OE1 GLU A 49 -10.453 9.360 -3.816 1.00 0.00 O ATOM 750 OE2 GLU A 49 -9.602 7.393 -4.306 1.00 0.00 O ATOM 0 H GLU A 49 -12.122 4.738 -1.517 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.801 6.698 0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.833 6.460 -2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.352 7.962 -1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.093 8.641 -1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.468 7.054 -1.803 1.00 0.00 H new ATOM 757 N ARG A 50 -12.823 6.996 1.595 1.00 0.00 N ATOM 758 CA ARG A 50 -13.897 7.518 2.457 1.00 0.00 C ATOM 759 C ARG A 50 -14.368 8.934 2.081 1.00 0.00 C ATOM 760 O ARG A 50 -15.351 9.429 2.637 1.00 0.00 O ATOM 761 CB ARG A 50 -13.484 7.494 3.922 1.00 0.00 C ATOM 762 CG ARG A 50 -12.183 8.209 4.203 1.00 0.00 C ATOM 763 CD ARG A 50 -12.237 8.931 5.537 1.00 0.00 C ATOM 764 NE ARG A 50 -13.203 10.031 5.505 1.00 0.00 N ATOM 765 CZ ARG A 50 -13.269 10.998 6.419 1.00 0.00 C ATOM 766 NH1 ARG A 50 -12.503 10.948 7.504 1.00 0.00 N ATOM 767 NH2 ARG A 50 -14.132 11.996 6.259 1.00 0.00 N ATOM 0 H ARG A 50 -12.014 6.642 2.106 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.742 6.849 2.295 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.274 7.949 4.520 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.395 6.458 4.247 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -11.363 7.491 4.207 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.977 8.924 3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.509 8.227 6.324 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.249 9.319 5.784 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.869 10.059 4.733 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.861 10.167 7.640 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.557 11.691 8.201 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.739 12.019 5.440 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.187 12.739 6.955 1.00 0.00 H new ATOM 781 N GLY A 51 -13.662 9.594 1.179 1.00 0.00 N ATOM 782 CA GLY A 51 -14.139 10.855 0.647 1.00 0.00 C ATOM 783 C GLY A 51 -15.000 10.655 -0.589 1.00 0.00 C ATOM 784 O GLY A 51 -15.936 11.414 -0.840 1.00 0.00 O ATOM 0 H GLY A 51 -12.767 9.281 0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.715 11.377 1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.289 11.490 0.399 1.00 0.00 H new ATOM 788 N THR A 52 -14.677 9.626 -1.356 1.00 0.00 N ATOM 789 CA THR A 52 -15.358 9.336 -2.608 1.00 0.00 C ATOM 790 C THR A 52 -16.048 7.971 -2.550 1.00 0.00 C ATOM 791 O THR A 52 -16.204 7.385 -1.480 1.00 0.00 O ATOM 792 CB THR A 52 -14.351 9.353 -3.775 1.00 0.00 C ATOM 793 OG1 THR A 52 -13.496 8.218 -3.688 1.00 0.00 O ATOM 794 CG2 THR A 52 -13.491 10.605 -3.740 1.00 0.00 C ATOM 0 H THR A 52 -13.933 8.967 -1.127 1.00 0.00 H new ATOM 0 HA THR A 52 -16.114 10.104 -2.768 1.00 0.00 H new ATOM 0 HB THR A 52 -14.919 9.336 -4.705 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.587 8.472 -3.952 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.791 10.589 -4.575 1.00 0.00 H new ATOM 0 HG22 THR A 52 -14.128 11.486 -3.818 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.937 10.640 -2.802 1.00 0.00 H new ATOM 802 N LYS A 53 -16.522 7.502 -3.691 1.00 0.00 N ATOM 803 CA LYS A 53 -17.033 6.145 -3.804 1.00 0.00 C ATOM 804 C LYS A 53 -16.066 5.301 -4.629 1.00 0.00 C ATOM 805 O LYS A 53 -16.471 4.506 -5.482 1.00 0.00 O ATOM 806 CB LYS A 53 -18.433 6.164 -4.417 1.00 0.00 C ATOM 807 CG LYS A 53 -19.478 6.733 -3.470 1.00 0.00 C ATOM 808 CD LYS A 53 -20.785 7.041 -4.180 1.00 0.00 C ATOM 809 CE LYS A 53 -20.633 8.215 -5.134 1.00 0.00 C ATOM 810 NZ LYS A 53 -21.925 8.584 -5.765 1.00 0.00 N ATOM 0 H LYS A 53 -16.564 8.042 -4.555 1.00 0.00 H new ATOM 0 HA LYS A 53 -17.112 5.696 -2.814 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -18.417 6.756 -5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -18.716 5.150 -4.698 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -19.662 6.022 -2.665 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -19.093 7.643 -3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -21.117 6.162 -4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -21.557 7.266 -3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -20.234 9.073 -4.593 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -19.909 7.962 -5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -21.780 9.388 -6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -22.293 7.773 -6.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -22.608 8.850 -5.027 1.00 0.00 H new ATOM 824 N LYS A 54 -14.782 5.510 -4.356 1.00 0.00 N ATOM 825 CA LYS A 54 -13.701 4.801 -5.046 1.00 0.00 C ATOM 826 C LYS A 54 -13.141 3.658 -4.182 1.00 0.00 C ATOM 827 O LYS A 54 -12.960 3.822 -2.969 1.00 0.00 O ATOM 828 CB LYS A 54 -12.566 5.774 -5.384 1.00 0.00 C ATOM 829 CG LYS A 54 -12.956 6.899 -6.335 1.00 0.00 C ATOM 830 CD LYS A 54 -11.773 7.820 -6.594 1.00 0.00 C ATOM 831 CE LYS A 54 -12.158 9.047 -7.405 1.00 0.00 C ATOM 832 NZ LYS A 54 -12.714 8.696 -8.738 1.00 0.00 N ATOM 0 H LYS A 54 -14.458 6.174 -3.652 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.115 4.378 -5.961 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.193 6.212 -4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.743 5.212 -5.825 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.309 6.479 -7.277 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -13.782 7.470 -5.911 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.348 8.137 -5.642 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.996 7.268 -7.123 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.893 9.629 -6.850 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.282 9.682 -7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.913 9.566 -9.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.024 8.120 -9.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.594 8.156 -8.616 1.00 0.00 H new ATOM 846 N VAL A 55 -12.857 2.504 -4.801 1.00 0.00 N ATOM 847 CA VAL A 55 -12.264 1.370 -4.089 1.00 0.00 C ATOM 848 C VAL A 55 -10.969 0.928 -4.767 1.00 0.00 C ATOM 849 O VAL A 55 -10.939 0.703 -5.975 1.00 0.00 O ATOM 850 CB VAL A 55 -13.235 0.172 -4.019 1.00 0.00 C ATOM 851 CG1 VAL A 55 -12.554 -1.034 -3.395 1.00 0.00 C ATOM 852 CG2 VAL A 55 -14.489 0.536 -3.240 1.00 0.00 C ATOM 0 H VAL A 55 -13.029 2.334 -5.792 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.051 1.704 -3.074 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.528 -0.085 -5.037 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.255 -1.868 -3.355 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -11.690 -1.316 -3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.228 -0.785 -2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.158 -0.324 -3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.216 0.825 -2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -14.994 1.368 -3.731 1.00 0.00 H new ATOM 862 N HIS A 56 -9.893 0.798 -3.992 1.00 0.00 N ATOM 863 CA HIS A 56 -8.586 0.535 -4.567 1.00 0.00 C ATOM 864 C HIS A 56 -7.833 -0.559 -3.817 1.00 0.00 C ATOM 865 O HIS A 56 -7.367 -0.339 -2.705 1.00 0.00 O ATOM 866 CB HIS A 56 -7.751 1.816 -4.549 1.00 0.00 C ATOM 867 CG HIS A 56 -8.435 3.042 -5.092 1.00 0.00 C ATOM 868 ND1 HIS A 56 -8.640 3.278 -6.434 1.00 0.00 N ATOM 869 CD2 HIS A 56 -8.938 4.121 -4.446 1.00 0.00 C ATOM 870 CE1 HIS A 56 -9.234 4.450 -6.586 1.00 0.00 C ATOM 871 NE2 HIS A 56 -9.425 4.982 -5.393 1.00 0.00 N ATOM 0 H HIS A 56 -9.905 0.871 -2.975 1.00 0.00 H new ATOM 0 HA HIS A 56 -8.745 0.192 -5.589 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -7.446 2.016 -3.522 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -6.841 1.644 -5.124 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -8.952 4.275 -3.377 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -9.516 4.897 -7.528 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -9.863 5.884 -5.207 1.00 0.00 H new ATOM 880 N VAL A 57 -7.709 -1.736 -4.430 1.00 0.00 N ATOM 881 CA VAL A 57 -6.983 -2.841 -3.801 1.00 0.00 C ATOM 882 C VAL A 57 -5.544 -2.929 -4.297 1.00 0.00 C ATOM 883 O VAL A 57 -5.276 -2.743 -5.488 1.00 0.00 O ATOM 884 CB VAL A 57 -7.688 -4.198 -4.038 1.00 0.00 C ATOM 885 CG1 VAL A 57 -7.716 -4.554 -5.512 1.00 0.00 C ATOM 886 CG2 VAL A 57 -7.018 -5.302 -3.238 1.00 0.00 C ATOM 0 H VAL A 57 -8.096 -1.948 -5.350 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.974 -2.629 -2.732 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.718 -4.099 -3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.218 -5.512 -5.645 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.255 -3.783 -6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.696 -4.623 -5.889 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.531 -6.246 -3.421 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.975 -5.391 -3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.067 -5.062 -2.176 1.00 0.00 H new ATOM 896 N PHE A 58 -4.619 -3.191 -3.378 1.00 0.00 N ATOM 897 CA PHE A 58 -3.228 -3.380 -3.738 1.00 0.00 C ATOM 898 C PHE A 58 -2.608 -4.492 -2.894 1.00 0.00 C ATOM 899 O PHE A 58 -2.861 -4.592 -1.695 1.00 0.00 O ATOM 900 CB PHE A 58 -2.393 -2.114 -3.482 1.00 0.00 C ATOM 901 CG PHE A 58 -2.880 -0.798 -4.014 1.00 0.00 C ATOM 902 CD1 PHE A 58 -4.027 -0.189 -3.526 1.00 0.00 C ATOM 903 CD2 PHE A 58 -2.131 -0.138 -4.964 1.00 0.00 C ATOM 904 CE1 PHE A 58 -4.416 1.051 -4.000 1.00 0.00 C ATOM 905 CE2 PHE A 58 -2.513 1.100 -5.427 1.00 0.00 C ATOM 906 CZ PHE A 58 -3.654 1.690 -4.944 1.00 0.00 C ATOM 0 H PHE A 58 -4.813 -3.276 -2.380 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.216 -3.628 -4.799 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.277 -2.010 -2.403 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.399 -2.287 -3.894 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.619 -0.686 -2.772 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.233 -0.598 -5.350 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.318 1.515 -3.628 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.915 1.607 -6.170 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.953 2.662 -5.309 1.00 0.00 H new ATOM 916 N LYS A 59 -1.807 -5.334 -3.525 1.00 0.00 N ATOM 917 CA LYS A 59 -0.867 -6.169 -2.785 1.00 0.00 C ATOM 918 C LYS A 59 0.236 -5.278 -2.261 1.00 0.00 C ATOM 919 O LYS A 59 0.833 -4.535 -3.033 1.00 0.00 O ATOM 920 CB LYS A 59 -0.246 -7.238 -3.684 1.00 0.00 C ATOM 921 CG LYS A 59 -1.194 -8.349 -4.066 1.00 0.00 C ATOM 922 CD LYS A 59 -1.317 -9.399 -2.975 1.00 0.00 C ATOM 923 CE LYS A 59 -2.264 -10.514 -3.393 1.00 0.00 C ATOM 924 NZ LYS A 59 -2.135 -11.719 -2.531 1.00 0.00 N ATOM 0 H LYS A 59 -1.786 -5.459 -4.537 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.399 -6.669 -1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.125 -6.763 -4.592 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.616 -7.669 -3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.178 -7.929 -4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.846 -8.821 -4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.334 -9.816 -2.754 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.679 -8.934 -2.058 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.291 -10.150 -3.353 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.064 -10.788 -4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.800 -12.450 -2.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.163 -12.085 -2.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.352 -11.466 -1.546 1.00 0.00 H new ATOM 938 N ALA A 60 0.528 -5.350 -0.976 1.00 0.00 N ATOM 939 CA ALA A 60 1.505 -4.470 -0.372 1.00 0.00 C ATOM 940 C ALA A 60 2.539 -5.316 0.345 1.00 0.00 C ATOM 941 O ALA A 60 2.190 -6.257 1.052 1.00 0.00 O ATOM 942 CB ALA A 60 0.824 -3.518 0.598 1.00 0.00 C ATOM 0 H ALA A 60 0.099 -6.013 -0.330 1.00 0.00 H new ATOM 0 HA ALA A 60 1.994 -3.872 -1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.569 -2.861 1.046 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.087 -2.919 0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.327 -4.090 1.381 1.00 0.00 H new ATOM 948 N TRP A 61 3.799 -5.018 0.137 1.00 0.00 N ATOM 949 CA TRP A 61 4.863 -5.768 0.770 1.00 0.00 C ATOM 950 C TRP A 61 6.081 -4.884 0.950 1.00 0.00 C ATOM 951 O TRP A 61 6.251 -3.896 0.244 1.00 0.00 O ATOM 952 CB TRP A 61 5.213 -7.020 -0.053 1.00 0.00 C ATOM 953 CG TRP A 61 5.858 -6.738 -1.379 1.00 0.00 C ATOM 954 CD1 TRP A 61 7.190 -6.797 -1.666 1.00 0.00 C ATOM 955 CD2 TRP A 61 5.204 -6.361 -2.596 1.00 0.00 C ATOM 956 NE1 TRP A 61 7.404 -6.498 -2.988 1.00 0.00 N ATOM 957 CE2 TRP A 61 6.203 -6.217 -3.578 1.00 0.00 C ATOM 958 CE3 TRP A 61 3.874 -6.130 -2.954 1.00 0.00 C ATOM 959 CZ2 TRP A 61 5.912 -5.856 -4.889 1.00 0.00 C ATOM 960 CZ3 TRP A 61 3.589 -5.769 -4.253 1.00 0.00 C ATOM 961 CH2 TRP A 61 4.602 -5.635 -5.208 1.00 0.00 C ATOM 0 H TRP A 61 4.116 -4.260 -0.467 1.00 0.00 H new ATOM 0 HA TRP A 61 4.523 -6.099 1.751 1.00 0.00 H new ATOM 0 HB2 TRP A 61 5.881 -7.649 0.535 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.302 -7.594 -0.222 1.00 0.00 H new ATOM 0 HD1 TRP A 61 7.965 -7.044 -0.955 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.311 -6.487 -3.454 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.083 -6.232 -2.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 6.693 -5.754 -5.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 2.564 -5.586 -4.539 1.00 0.00 H new ATOM 0 HH2 TRP A 61 4.344 -5.351 -6.218 1.00 0.00 H new ATOM 972 N LYS A 62 6.922 -5.230 1.897 1.00 0.00 N ATOM 973 CA LYS A 62 8.117 -4.453 2.142 1.00 0.00 C ATOM 974 C LYS A 62 9.328 -5.343 2.235 1.00 0.00 C ATOM 975 O LYS A 62 9.380 -6.286 3.027 1.00 0.00 O ATOM 976 CB LYS A 62 7.983 -3.595 3.399 1.00 0.00 C ATOM 977 CG LYS A 62 7.416 -2.216 3.112 1.00 0.00 C ATOM 978 CD LYS A 62 7.256 -1.360 4.361 1.00 0.00 C ATOM 979 CE LYS A 62 8.579 -0.936 4.985 1.00 0.00 C ATOM 980 NZ LYS A 62 9.348 -2.072 5.565 1.00 0.00 N ATOM 0 H LYS A 62 6.803 -6.039 2.507 1.00 0.00 H new ATOM 0 HA LYS A 62 8.247 -3.781 1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.339 -4.106 4.115 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.961 -3.490 3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.070 -1.701 2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.446 -2.323 2.626 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.681 -0.469 4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.677 -1.915 5.099 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.188 -0.443 4.228 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.385 -0.201 5.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.697 -1.809 6.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.730 -2.905 5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.155 -2.296 4.948 1.00 0.00 H new ATOM 994 N GLU A 63 10.287 -5.032 1.400 1.00 0.00 N ATOM 995 CA GLU A 63 11.550 -5.727 1.365 1.00 0.00 C ATOM 996 C GLU A 63 12.652 -4.731 1.092 1.00 0.00 C ATOM 997 O GLU A 63 12.468 -3.796 0.315 1.00 0.00 O ATOM 998 CB GLU A 63 11.551 -6.818 0.285 1.00 0.00 C ATOM 999 CG GLU A 63 10.491 -6.640 -0.785 1.00 0.00 C ATOM 1000 CD GLU A 63 10.480 -7.780 -1.779 1.00 0.00 C ATOM 1001 OE1 GLU A 63 9.781 -8.781 -1.525 1.00 0.00 O ATOM 1002 OE2 GLU A 63 11.166 -7.679 -2.820 1.00 0.00 O ATOM 0 H GLU A 63 10.212 -4.279 0.716 1.00 0.00 H new ATOM 0 HA GLU A 63 11.713 -6.210 2.329 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.531 -6.840 -0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.408 -7.787 0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.511 -6.563 -0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.665 -5.702 -1.313 1.00 0.00 H new ATOM 1009 N ILE A 64 13.771 -4.896 1.766 1.00 0.00 N ATOM 1010 CA ILE A 64 14.931 -4.089 1.468 1.00 0.00 C ATOM 1011 C ILE A 64 15.630 -4.724 0.270 1.00 0.00 C ATOM 1012 O ILE A 64 15.624 -5.948 0.110 1.00 0.00 O ATOM 1013 CB ILE A 64 15.861 -3.930 2.706 1.00 0.00 C ATOM 1014 CG1 ILE A 64 16.685 -2.624 2.655 1.00 0.00 C ATOM 1015 CG2 ILE A 64 16.771 -5.136 2.882 1.00 0.00 C ATOM 1016 CD1 ILE A 64 17.830 -2.607 1.665 1.00 0.00 C ATOM 0 H ILE A 64 13.900 -5.575 2.516 1.00 0.00 H new ATOM 0 HA ILE A 64 14.636 -3.070 1.216 1.00 0.00 H new ATOM 0 HB ILE A 64 15.208 -3.869 3.577 1.00 0.00 H new ATOM 0 HG12 ILE A 64 16.012 -1.801 2.417 1.00 0.00 H new ATOM 0 HG13 ILE A 64 17.086 -2.431 3.650 1.00 0.00 H new ATOM 0 HG21 ILE A 64 17.405 -4.989 3.756 1.00 0.00 H new ATOM 0 HG22 ILE A 64 16.165 -6.032 3.020 1.00 0.00 H new ATOM 0 HG23 ILE A 64 17.395 -5.253 1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 64 18.339 -1.644 1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 64 18.534 -3.402 1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.443 -2.762 0.658 1.00 0.00 H new ATOM 1028 N VAL A 65 16.214 -3.901 -0.571 1.00 0.00 N ATOM 1029 CA VAL A 65 16.678 -4.323 -1.861 1.00 0.00 C ATOM 1030 C VAL A 65 18.104 -3.846 -2.013 1.00 0.00 C ATOM 1031 O VAL A 65 18.603 -3.161 -1.131 1.00 0.00 O ATOM 1032 CB VAL A 65 15.818 -3.748 -2.986 1.00 0.00 C ATOM 1033 CG1 VAL A 65 15.827 -4.650 -4.189 1.00 0.00 C ATOM 1034 CG2 VAL A 65 14.389 -3.486 -2.535 1.00 0.00 C ATOM 0 H VAL A 65 16.379 -2.914 -0.372 1.00 0.00 H new ATOM 0 HA VAL A 65 16.615 -5.409 -1.930 1.00 0.00 H new ATOM 0 HB VAL A 65 16.259 -2.791 -3.263 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.207 -4.216 -4.974 1.00 0.00 H new ATOM 0 HG12 VAL A 65 16.848 -4.761 -4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 65 15.432 -5.628 -3.914 1.00 0.00 H new ATOM 0 HG21 VAL A 65 13.814 -3.078 -3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 65 13.935 -4.420 -2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 65 14.393 -2.772 -1.711 1.00 0.00 H new ATOM 1044 N ASP A 66 18.755 -4.189 -3.109 1.00 0.00 N ATOM 1045 CA ASP A 66 20.144 -3.818 -3.331 1.00 0.00 C ATOM 1046 C ASP A 66 20.625 -4.427 -4.641 1.00 0.00 C ATOM 1047 O ASP A 66 21.663 -5.084 -4.686 1.00 0.00 O ATOM 1048 CB ASP A 66 21.014 -4.337 -2.191 1.00 0.00 C ATOM 1049 CG ASP A 66 22.363 -3.646 -2.099 1.00 0.00 C ATOM 1050 OD1 ASP A 66 22.867 -3.156 -3.131 1.00 0.00 O ATOM 1051 OD2 ASP A 66 22.927 -3.590 -0.984 1.00 0.00 O ATOM 0 H ASP A 66 18.340 -4.730 -3.868 1.00 0.00 H new ATOM 0 HA ASP A 66 20.219 -2.731 -3.374 1.00 0.00 H new ATOM 0 HB2 ASP A 66 20.482 -4.206 -1.249 1.00 0.00 H new ATOM 0 HB3 ASP A 66 21.171 -5.408 -2.322 1.00 0.00 H new ATOM 1056 N ALA A 67 19.874 -4.236 -5.711 1.00 0.00 N ATOM 1057 CA ALA A 67 20.171 -4.958 -6.949 1.00 0.00 C ATOM 1058 C ALA A 67 20.146 -4.051 -8.168 1.00 0.00 C ATOM 1059 O ALA A 67 19.110 -3.489 -8.516 1.00 0.00 O ATOM 1060 CB ALA A 67 19.211 -6.113 -7.128 1.00 0.00 C ATOM 0 H ALA A 67 19.073 -3.606 -5.756 1.00 0.00 H new ATOM 0 HA ALA A 67 21.186 -5.346 -6.860 1.00 0.00 H new ATOM 0 HB1 ALA A 67 19.445 -6.640 -8.053 1.00 0.00 H new ATOM 0 HB2 ALA A 67 19.305 -6.798 -6.286 1.00 0.00 H new ATOM 0 HB3 ALA A 67 18.190 -5.734 -7.174 1.00 0.00 H new ATOM 1066 N PRO A 68 21.291 -3.942 -8.856 1.00 0.00 N ATOM 1067 CA PRO A 68 21.528 -2.924 -9.887 1.00 0.00 C ATOM 1068 C PRO A 68 20.800 -3.190 -11.188 1.00 0.00 C ATOM 1069 O PRO A 68 20.575 -2.287 -11.990 1.00 0.00 O ATOM 1070 CB PRO A 68 23.039 -2.991 -10.116 1.00 0.00 C ATOM 1071 CG PRO A 68 23.580 -3.892 -9.051 1.00 0.00 C ATOM 1072 CD PRO A 68 22.458 -4.815 -8.701 1.00 0.00 C ATOM 0 HA PRO A 68 21.160 -1.951 -9.560 1.00 0.00 H new ATOM 0 HB2 PRO A 68 23.266 -3.380 -11.108 1.00 0.00 H new ATOM 0 HB3 PRO A 68 23.487 -1.999 -10.053 1.00 0.00 H new ATOM 0 HG2 PRO A 68 24.447 -4.447 -9.409 1.00 0.00 H new ATOM 0 HG3 PRO A 68 23.904 -3.321 -8.181 1.00 0.00 H new ATOM 0 HD2 PRO A 68 22.415 -5.677 -9.367 1.00 0.00 H new ATOM 0 HD3 PRO A 68 22.548 -5.201 -7.686 1.00 0.00 H new ATOM 1080 N LYS A 69 20.415 -4.425 -11.368 1.00 0.00 N ATOM 1081 CA LYS A 69 19.862 -4.879 -12.637 1.00 0.00 C ATOM 1082 C LYS A 69 18.467 -4.304 -12.846 1.00 0.00 C ATOM 1083 O LYS A 69 18.088 -3.956 -13.963 1.00 0.00 O ATOM 1084 CB LYS A 69 19.813 -6.413 -12.695 1.00 0.00 C ATOM 1085 CG LYS A 69 20.900 -7.111 -11.883 1.00 0.00 C ATOM 1086 CD LYS A 69 22.301 -6.613 -12.214 1.00 0.00 C ATOM 1087 CE LYS A 69 22.784 -7.090 -13.567 1.00 0.00 C ATOM 1088 NZ LYS A 69 24.142 -6.568 -13.872 1.00 0.00 N ATOM 0 H LYS A 69 20.471 -5.148 -10.651 1.00 0.00 H new ATOM 0 HA LYS A 69 20.514 -4.524 -13.435 1.00 0.00 H new ATOM 0 HB2 LYS A 69 18.839 -6.747 -12.337 1.00 0.00 H new ATOM 0 HB3 LYS A 69 19.895 -6.728 -13.735 1.00 0.00 H new ATOM 0 HG2 LYS A 69 20.707 -6.958 -10.821 1.00 0.00 H new ATOM 0 HG3 LYS A 69 20.849 -8.184 -12.065 1.00 0.00 H new ATOM 0 HD2 LYS A 69 22.310 -5.523 -12.193 1.00 0.00 H new ATOM 0 HD3 LYS A 69 22.994 -6.952 -11.444 1.00 0.00 H new ATOM 0 HE2 LYS A 69 22.798 -8.180 -13.587 1.00 0.00 H new ATOM 0 HE3 LYS A 69 22.086 -6.766 -14.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 24.445 -6.912 -14.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 24.121 -5.528 -13.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 24.811 -6.898 -13.148 1.00 0.00 H new ATOM 1102 N ASN A 70 17.716 -4.186 -11.763 1.00 0.00 N ATOM 1103 CA ASN A 70 16.344 -3.706 -11.839 1.00 0.00 C ATOM 1104 C ASN A 70 16.170 -2.373 -11.126 1.00 0.00 C ATOM 1105 O ASN A 70 15.120 -2.118 -10.540 1.00 0.00 O ATOM 1106 CB ASN A 70 15.377 -4.744 -11.269 1.00 0.00 C ATOM 1107 CG ASN A 70 15.220 -5.950 -12.171 1.00 0.00 C ATOM 1108 OD1 ASN A 70 14.357 -5.975 -13.048 1.00 0.00 O ATOM 1109 ND2 ASN A 70 16.046 -6.960 -11.964 1.00 0.00 N ATOM 0 H ASN A 70 18.032 -4.416 -10.821 1.00 0.00 H new ATOM 0 HA ASN A 70 16.113 -3.550 -12.893 1.00 0.00 H new ATOM 0 HB2 ASN A 70 15.734 -5.070 -10.292 1.00 0.00 H new ATOM 0 HB3 ASN A 70 14.402 -4.281 -11.114 1.00 0.00 H new ATOM 0 HD21 ASN A 70 15.981 -7.798 -12.541 1.00 0.00 H new ATOM 0 HD22 ASN A 70 16.748 -6.901 -11.227 1.00 0.00 H new ATOM 1116 N ARG A 71 17.201 -1.533 -11.155 1.00 0.00 N ATOM 1117 CA ARG A 71 17.106 -0.222 -10.521 1.00 0.00 C ATOM 1118 C ARG A 71 16.275 0.725 -11.389 1.00 0.00 C ATOM 1119 O ARG A 71 16.692 1.112 -12.481 1.00 0.00 O ATOM 1120 CB ARG A 71 18.478 0.411 -10.270 1.00 0.00 C ATOM 1121 CG ARG A 71 19.409 -0.401 -9.409 1.00 0.00 C ATOM 1122 CD ARG A 71 18.913 -0.458 -8.004 1.00 0.00 C ATOM 1123 NE ARG A 71 19.831 -1.184 -7.127 1.00 0.00 N ATOM 1124 CZ ARG A 71 21.183 -1.098 -7.128 1.00 0.00 C ATOM 1125 NH1 ARG A 71 21.832 -0.260 -7.927 1.00 0.00 N ATOM 1126 NH2 ARG A 71 21.882 -1.849 -6.284 1.00 0.00 N ATOM 0 H ARG A 71 18.096 -1.731 -11.602 1.00 0.00 H new ATOM 0 HA ARG A 71 16.625 -0.376 -9.555 1.00 0.00 H new ATOM 0 HB2 ARG A 71 18.960 0.589 -11.231 1.00 0.00 H new ATOM 0 HB3 ARG A 71 18.331 1.384 -9.802 1.00 0.00 H new ATOM 0 HG2 ARG A 71 19.496 -1.411 -9.810 1.00 0.00 H new ATOM 0 HG3 ARG A 71 20.407 0.037 -9.430 1.00 0.00 H new ATOM 0 HD2 ARG A 71 18.777 0.555 -7.627 1.00 0.00 H new ATOM 0 HD3 ARG A 71 17.936 -0.940 -7.984 1.00 0.00 H new ATOM 0 HE ARG A 71 19.412 -1.818 -6.447 1.00 0.00 H new ATOM 0 HH11 ARG A 71 21.312 0.343 -8.564 1.00 0.00 H new ATOM 0 HH12 ARG A 71 22.851 -0.219 -7.904 1.00 0.00 H new ATOM 0 HH21 ARG A 71 21.400 -2.481 -5.645 1.00 0.00 H new ATOM 0 HH22 ARG A 71 22.900 -1.793 -6.275 1.00 0.00 H new ATOM 1140 N PRO A 72 15.086 1.104 -10.906 1.00 0.00 N ATOM 1141 CA PRO A 72 14.173 2.016 -11.605 1.00 0.00 C ATOM 1142 C PRO A 72 14.653 3.456 -11.566 1.00 0.00 C ATOM 1143 O PRO A 72 15.637 3.786 -10.908 1.00 0.00 O ATOM 1144 CB PRO A 72 12.860 1.892 -10.818 1.00 0.00 C ATOM 1145 CG PRO A 72 13.054 0.740 -9.894 1.00 0.00 C ATOM 1146 CD PRO A 72 14.525 0.671 -9.631 1.00 0.00 C ATOM 0 HA PRO A 72 14.086 1.760 -12.661 1.00 0.00 H new ATOM 0 HB2 PRO A 72 12.647 2.807 -10.265 1.00 0.00 H new ATOM 0 HB3 PRO A 72 12.017 1.720 -11.487 1.00 0.00 H new ATOM 0 HG2 PRO A 72 12.498 0.884 -8.968 1.00 0.00 H new ATOM 0 HG3 PRO A 72 12.693 -0.186 -10.342 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.823 1.325 -8.812 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.845 -0.337 -9.367 1.00 0.00 H new ATOM 1154 N ALA A 73 13.931 4.303 -12.276 1.00 0.00 N ATOM 1155 CA ALA A 73 14.260 5.715 -12.379 1.00 0.00 C ATOM 1156 C ALA A 73 13.659 6.514 -11.227 1.00 0.00 C ATOM 1157 O ALA A 73 13.683 7.744 -11.223 1.00 0.00 O ATOM 1158 CB ALA A 73 13.771 6.239 -13.711 1.00 0.00 C ATOM 0 H ALA A 73 13.098 4.032 -12.799 1.00 0.00 H new ATOM 0 HA ALA A 73 15.342 5.831 -12.316 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.014 7.298 -13.797 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.255 5.689 -14.518 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.691 6.108 -13.779 1.00 0.00 H new ATOM 1164 N TRP A 74 13.114 5.797 -10.259 1.00 0.00 N ATOM 1165 CA TRP A 74 12.565 6.409 -9.061 1.00 0.00 C ATOM 1166 C TRP A 74 13.230 5.831 -7.820 1.00 0.00 C ATOM 1167 O TRP A 74 13.380 6.512 -6.804 1.00 0.00 O ATOM 1168 CB TRP A 74 11.046 6.219 -8.988 1.00 0.00 C ATOM 1169 CG TRP A 74 10.596 4.792 -9.061 1.00 0.00 C ATOM 1170 CD1 TRP A 74 10.182 4.126 -10.178 1.00 0.00 C ATOM 1171 CD2 TRP A 74 10.505 3.852 -7.975 1.00 0.00 C ATOM 1172 NE1 TRP A 74 9.841 2.838 -9.860 1.00 0.00 N ATOM 1173 CE2 TRP A 74 10.033 2.645 -8.518 1.00 0.00 C ATOM 1174 CE3 TRP A 74 10.782 3.907 -6.597 1.00 0.00 C ATOM 1175 CZ2 TRP A 74 9.828 1.513 -7.744 1.00 0.00 C ATOM 1176 CZ3 TRP A 74 10.577 2.775 -5.831 1.00 0.00 C ATOM 1177 CH2 TRP A 74 10.106 1.590 -6.408 1.00 0.00 C ATOM 0 H TRP A 74 13.040 4.780 -10.281 1.00 0.00 H new ATOM 0 HA TRP A 74 12.769 7.479 -9.106 1.00 0.00 H new ATOM 0 HB2 TRP A 74 10.682 6.655 -8.058 1.00 0.00 H new ATOM 0 HB3 TRP A 74 10.583 6.775 -9.803 1.00 0.00 H new ATOM 0 HD1 TRP A 74 10.131 4.553 -11.169 1.00 0.00 H new ATOM 0 HE1 TRP A 74 9.499 2.136 -10.517 1.00 0.00 H new ATOM 0 HE3 TRP A 74 11.148 4.817 -6.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 9.460 0.598 -8.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 10.783 2.805 -4.771 1.00 0.00 H new ATOM 0 HH2 TRP A 74 9.959 0.720 -5.786 1.00 0.00 H new ATOM 1188 N MET A 75 13.617 4.562 -7.905 1.00 0.00 N ATOM 1189 CA MET A 75 14.193 3.863 -6.773 1.00 0.00 C ATOM 1190 C MET A 75 15.708 3.869 -6.865 1.00 0.00 C ATOM 1191 O MET A 75 16.273 3.745 -7.951 1.00 0.00 O ATOM 1192 CB MET A 75 13.674 2.427 -6.728 1.00 0.00 C ATOM 1193 CG MET A 75 13.887 1.741 -5.390 1.00 0.00 C ATOM 1194 SD MET A 75 12.842 0.288 -5.175 1.00 0.00 S ATOM 1195 CE MET A 75 13.188 -0.602 -6.681 1.00 0.00 C ATOM 0 H MET A 75 13.540 3.999 -8.752 1.00 0.00 H new ATOM 0 HA MET A 75 13.898 4.375 -5.857 1.00 0.00 H new ATOM 0 HB2 MET A 75 12.609 2.428 -6.960 1.00 0.00 H new ATOM 0 HB3 MET A 75 14.169 1.847 -7.506 1.00 0.00 H new ATOM 0 HG2 MET A 75 14.933 1.447 -5.300 1.00 0.00 H new ATOM 0 HG3 MET A 75 13.685 2.450 -4.587 1.00 0.00 H new ATOM 0 HE1 MET A 75 13.192 -1.673 -6.478 1.00 0.00 H new ATOM 0 HE2 MET A 75 12.421 -0.376 -7.422 1.00 0.00 H new ATOM 0 HE3 MET A 75 14.163 -0.302 -7.065 1.00 0.00 H new ATOM 1205 N PRO A 76 16.381 4.027 -5.722 1.00 0.00 N ATOM 1206 CA PRO A 76 17.824 3.985 -5.656 1.00 0.00 C ATOM 1207 C PRO A 76 18.348 2.545 -5.661 1.00 0.00 C ATOM 1208 O PRO A 76 17.720 1.659 -6.238 1.00 0.00 O ATOM 1209 CB PRO A 76 18.158 4.710 -4.348 1.00 0.00 C ATOM 1210 CG PRO A 76 16.894 4.804 -3.567 1.00 0.00 C ATOM 1211 CD PRO A 76 15.777 4.246 -4.408 1.00 0.00 C ATOM 0 HA PRO A 76 18.295 4.455 -6.520 1.00 0.00 H new ATOM 0 HB2 PRO A 76 18.918 4.165 -3.788 1.00 0.00 H new ATOM 0 HB3 PRO A 76 18.562 5.702 -4.549 1.00 0.00 H new ATOM 0 HG2 PRO A 76 16.982 4.247 -2.634 1.00 0.00 H new ATOM 0 HG3 PRO A 76 16.688 5.841 -3.301 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.391 3.317 -3.989 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.940 4.941 -4.467 1.00 0.00 H new ATOM 1219 N GLU A 77 19.463 2.299 -4.995 1.00 0.00 N ATOM 1220 CA GLU A 77 20.153 1.022 -5.125 1.00 0.00 C ATOM 1221 C GLU A 77 19.686 0.018 -4.076 1.00 0.00 C ATOM 1222 O GLU A 77 19.483 -1.160 -4.378 1.00 0.00 O ATOM 1223 CB GLU A 77 21.656 1.223 -5.002 1.00 0.00 C ATOM 1224 CG GLU A 77 22.197 2.298 -5.931 1.00 0.00 C ATOM 1225 CD GLU A 77 23.698 2.451 -5.843 1.00 0.00 C ATOM 1226 OE1 GLU A 77 24.186 2.969 -4.824 1.00 0.00 O ATOM 1227 OE2 GLU A 77 24.392 2.069 -6.806 1.00 0.00 O ATOM 0 H GLU A 77 19.910 2.961 -4.361 1.00 0.00 H new ATOM 0 HA GLU A 77 19.914 0.620 -6.110 1.00 0.00 H new ATOM 0 HB2 GLU A 77 21.897 1.487 -3.972 1.00 0.00 H new ATOM 0 HB3 GLU A 77 22.160 0.281 -5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 77 21.921 2.056 -6.957 1.00 0.00 H new ATOM 0 HG3 GLU A 77 21.725 3.250 -5.690 1.00 0.00 H new ATOM 1234 N LYS A 78 19.485 0.488 -2.859 1.00 0.00 N ATOM 1235 CA LYS A 78 19.125 -0.381 -1.761 1.00 0.00 C ATOM 1236 C LYS A 78 18.174 0.352 -0.841 1.00 0.00 C ATOM 1237 O LYS A 78 18.521 1.388 -0.271 1.00 0.00 O ATOM 1238 CB LYS A 78 20.356 -0.881 -0.977 1.00 0.00 C ATOM 1239 CG LYS A 78 21.280 0.209 -0.481 1.00 0.00 C ATOM 1240 CD LYS A 78 22.125 0.754 -1.610 1.00 0.00 C ATOM 1241 CE LYS A 78 23.164 -0.254 -2.078 1.00 0.00 C ATOM 1242 NZ LYS A 78 24.072 -0.676 -0.982 1.00 0.00 N ATOM 0 H LYS A 78 19.566 1.473 -2.608 1.00 0.00 H new ATOM 0 HA LYS A 78 18.640 -1.265 -2.175 1.00 0.00 H new ATOM 0 HB2 LYS A 78 20.012 -1.463 -0.122 1.00 0.00 H new ATOM 0 HB3 LYS A 78 20.925 -1.557 -1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 78 20.694 1.014 -0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 78 21.925 -0.185 0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 78 21.481 1.027 -2.446 1.00 0.00 H new ATOM 0 HD3 LYS A 78 22.625 1.665 -1.282 1.00 0.00 H new ATOM 0 HE2 LYS A 78 22.659 -1.130 -2.487 1.00 0.00 H new ATOM 0 HE3 LYS A 78 23.751 0.181 -2.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 25.056 -0.655 -1.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 23.968 -0.027 -0.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 23.829 -1.642 -0.682 1.00 0.00 H new ATOM 1256 N ILE A 79 16.968 -0.173 -0.697 1.00 0.00 N ATOM 1257 CA ILE A 79 15.944 0.480 0.107 1.00 0.00 C ATOM 1258 C ILE A 79 15.003 -0.542 0.682 1.00 0.00 C ATOM 1259 O ILE A 79 14.889 -1.643 0.175 1.00 0.00 O ATOM 1260 CB ILE A 79 15.049 1.480 -0.684 1.00 0.00 C ATOM 1261 CG1 ILE A 79 14.110 0.774 -1.683 1.00 0.00 C ATOM 1262 CG2 ILE A 79 15.866 2.532 -1.383 1.00 0.00 C ATOM 1263 CD1 ILE A 79 14.788 -0.200 -2.619 1.00 0.00 C ATOM 0 H ILE A 79 16.673 -1.050 -1.126 1.00 0.00 H new ATOM 0 HA ILE A 79 16.502 1.026 0.868 1.00 0.00 H new ATOM 0 HB ILE A 79 14.423 1.973 0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.342 0.241 -1.122 1.00 0.00 H new ATOM 0 HG13 ILE A 79 13.601 1.532 -2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 79 15.203 3.209 -1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 79 16.439 3.096 -0.647 1.00 0.00 H new ATOM 0 HG23 ILE A 79 16.548 2.055 -2.087 1.00 0.00 H new ATOM 0 HD11 ILE A 79 14.046 -0.644 -3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 79 15.536 0.326 -3.213 1.00 0.00 H new ATOM 0 HD13 ILE A 79 15.272 -0.985 -2.039 1.00 0.00 H new ATOM 1275 N SER A 80 14.329 -0.151 1.726 1.00 0.00 N ATOM 1276 CA SER A 80 13.141 -0.839 2.169 1.00 0.00 C ATOM 1277 C SER A 80 12.006 0.130 1.922 1.00 0.00 C ATOM 1278 O SER A 80 12.065 1.273 2.380 1.00 0.00 O ATOM 1279 CB SER A 80 13.237 -1.227 3.648 1.00 0.00 C ATOM 1280 OG SER A 80 12.054 -1.873 4.092 1.00 0.00 O ATOM 0 H SER A 80 14.585 0.654 2.297 1.00 0.00 H new ATOM 0 HA SER A 80 12.994 -1.776 1.632 1.00 0.00 H new ATOM 0 HB2 SER A 80 14.092 -1.887 3.798 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.414 -0.335 4.249 1.00 0.00 H new ATOM 0 HG SER A 80 12.146 -2.110 5.038 1.00 0.00 H new ATOM 1286 N LYS A 81 10.978 -0.289 1.214 1.00 0.00 N ATOM 1287 CA LYS A 81 10.025 0.624 0.643 1.00 0.00 C ATOM 1288 C LYS A 81 8.686 -0.079 0.668 1.00 0.00 C ATOM 1289 O LYS A 81 8.638 -1.272 0.366 1.00 0.00 O ATOM 1290 CB LYS A 81 10.386 0.934 -0.811 1.00 0.00 C ATOM 1291 CG LYS A 81 9.409 1.853 -1.483 1.00 0.00 C ATOM 1292 CD LYS A 81 9.605 3.243 -0.963 1.00 0.00 C ATOM 1293 CE LYS A 81 10.796 3.916 -1.619 1.00 0.00 C ATOM 1294 NZ LYS A 81 10.751 5.390 -1.455 1.00 0.00 N ATOM 0 H LYS A 81 10.784 -1.272 1.021 1.00 0.00 H new ATOM 0 HA LYS A 81 10.011 1.559 1.203 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.378 1.384 -0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.440 0.001 -1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.555 1.832 -2.563 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.388 1.521 -1.293 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.706 3.832 -1.146 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.752 3.212 0.117 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.718 3.529 -1.184 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.815 3.668 -2.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.580 5.816 -1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.883 5.762 -1.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.758 5.627 -0.442 1.00 0.00 H new ATOM 1308 N PRO A 82 7.594 0.585 1.070 1.00 0.00 N ATOM 1309 CA PRO A 82 6.280 -0.023 0.952 1.00 0.00 C ATOM 1310 C PRO A 82 5.927 -0.240 -0.508 1.00 0.00 C ATOM 1311 O PRO A 82 5.375 0.636 -1.178 1.00 0.00 O ATOM 1312 CB PRO A 82 5.336 0.995 1.589 1.00 0.00 C ATOM 1313 CG PRO A 82 6.205 1.919 2.372 1.00 0.00 C ATOM 1314 CD PRO A 82 7.551 1.907 1.703 1.00 0.00 C ATOM 0 HA PRO A 82 6.224 -1.000 1.433 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.774 1.537 0.828 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.607 0.503 2.233 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.788 2.926 2.386 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.284 1.592 3.409 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.644 2.708 0.970 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.360 2.037 2.422 1.00 0.00 H new ATOM 1322 N PHE A 83 6.299 -1.404 -0.994 1.00 0.00 N ATOM 1323 CA PHE A 83 5.921 -1.813 -2.317 1.00 0.00 C ATOM 1324 C PHE A 83 4.479 -2.224 -2.334 1.00 0.00 C ATOM 1325 O PHE A 83 3.981 -2.870 -1.418 1.00 0.00 O ATOM 1326 CB PHE A 83 6.783 -2.963 -2.812 1.00 0.00 C ATOM 1327 CG PHE A 83 8.252 -2.695 -2.732 1.00 0.00 C ATOM 1328 CD1 PHE A 83 8.763 -1.493 -3.176 1.00 0.00 C ATOM 1329 CD2 PHE A 83 9.120 -3.647 -2.224 1.00 0.00 C ATOM 1330 CE1 PHE A 83 10.114 -1.239 -3.114 1.00 0.00 C ATOM 1331 CE2 PHE A 83 10.476 -3.404 -2.162 1.00 0.00 C ATOM 1332 CZ PHE A 83 10.976 -2.196 -2.609 1.00 0.00 C ATOM 0 H PHE A 83 6.866 -2.083 -0.485 1.00 0.00 H new ATOM 0 HA PHE A 83 6.071 -0.963 -2.983 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.554 -3.854 -2.228 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.519 -3.183 -3.846 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.096 -0.744 -3.576 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.730 -4.591 -1.872 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.502 -0.292 -3.460 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.144 -4.154 -1.766 1.00 0.00 H new ATOM 0 HZ PHE A 83 12.037 -1.999 -2.564 1.00 0.00 H new ATOM 1342 N VAL A 84 3.818 -1.828 -3.383 1.00 0.00 N ATOM 1343 CA VAL A 84 2.401 -2.084 -3.541 1.00 0.00 C ATOM 1344 C VAL A 84 2.089 -2.196 -5.017 1.00 0.00 C ATOM 1345 O VAL A 84 2.826 -1.646 -5.839 1.00 0.00 O ATOM 1346 CB VAL A 84 1.489 -0.981 -2.946 1.00 0.00 C ATOM 1347 CG1 VAL A 84 0.322 -1.620 -2.266 1.00 0.00 C ATOM 1348 CG2 VAL A 84 2.210 -0.046 -1.988 1.00 0.00 C ATOM 0 H VAL A 84 4.240 -1.317 -4.159 1.00 0.00 H new ATOM 0 HA VAL A 84 2.194 -3.004 -2.995 1.00 0.00 H new ATOM 0 HB VAL A 84 1.155 -0.360 -3.777 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.322 -0.847 -1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.242 -2.209 -2.989 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.678 -2.270 -1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.510 0.700 -1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.613 -0.620 -1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.025 0.454 -2.512 1.00 0.00 H new ATOM 1358 N LYS A 85 1.017 -2.891 -5.371 1.00 0.00 N ATOM 1359 CA LYS A 85 0.626 -2.987 -6.764 1.00 0.00 C ATOM 1360 C LYS A 85 -0.876 -3.187 -6.913 1.00 0.00 C ATOM 1361 O LYS A 85 -1.494 -3.933 -6.160 1.00 0.00 O ATOM 1362 CB LYS A 85 1.365 -4.123 -7.474 1.00 0.00 C ATOM 1363 CG LYS A 85 1.112 -5.493 -6.867 1.00 0.00 C ATOM 1364 CD LYS A 85 1.447 -6.604 -7.843 1.00 0.00 C ATOM 1365 CE LYS A 85 0.218 -7.036 -8.621 1.00 0.00 C ATOM 1366 NZ LYS A 85 -0.726 -7.809 -7.772 1.00 0.00 N ATOM 0 H LYS A 85 0.411 -3.390 -4.719 1.00 0.00 H new ATOM 0 HA LYS A 85 0.900 -2.041 -7.231 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.066 -4.139 -8.522 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.435 -3.918 -7.451 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.711 -5.608 -5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.067 -5.572 -6.569 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.218 -6.265 -8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.857 -7.457 -7.302 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.288 -6.157 -9.020 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.522 -7.643 -9.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.426 -8.286 -8.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.199 -8.520 -7.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.215 -7.163 -7.119 1.00 0.00 H new ATOM 1380 N LYS A 86 -1.443 -2.502 -7.889 1.00 0.00 N ATOM 1381 CA LYS A 86 -2.863 -2.579 -8.160 1.00 0.00 C ATOM 1382 C LYS A 86 -3.211 -3.705 -9.140 1.00 0.00 C ATOM 1383 O LYS A 86 -3.184 -3.516 -10.358 1.00 0.00 O ATOM 1384 CB LYS A 86 -3.296 -1.247 -8.747 1.00 0.00 C ATOM 1385 CG LYS A 86 -4.755 -1.189 -9.103 1.00 0.00 C ATOM 1386 CD LYS A 86 -5.060 0.047 -9.920 1.00 0.00 C ATOM 1387 CE LYS A 86 -4.805 1.312 -9.124 1.00 0.00 C ATOM 1388 NZ LYS A 86 -4.876 2.516 -9.987 1.00 0.00 N ATOM 0 H LYS A 86 -0.932 -1.879 -8.514 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.384 -2.797 -7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.074 -0.455 -8.031 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.705 -1.044 -9.640 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.032 -2.080 -9.666 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.356 -1.187 -8.194 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.445 0.051 -10.820 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.100 0.023 -10.245 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.538 1.393 -8.322 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.823 1.257 -8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.697 3.365 -9.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.159 2.448 -10.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.821 2.581 -10.416 1.00 0.00 H new ATOM 1402 N GLU A 87 -3.474 -4.889 -8.598 1.00 0.00 N ATOM 1403 CA GLU A 87 -4.124 -5.951 -9.376 1.00 0.00 C ATOM 1404 C GLU A 87 -5.445 -5.501 -9.989 1.00 0.00 C ATOM 1405 O GLU A 87 -5.630 -5.601 -11.201 1.00 0.00 O ATOM 1406 CB GLU A 87 -4.365 -7.207 -8.545 1.00 0.00 C ATOM 1407 CG GLU A 87 -4.679 -6.921 -7.102 1.00 0.00 C ATOM 1408 CD GLU A 87 -3.524 -7.306 -6.225 1.00 0.00 C ATOM 1409 OE1 GLU A 87 -2.536 -6.546 -6.171 1.00 0.00 O ATOM 1410 OE2 GLU A 87 -3.571 -8.409 -5.647 1.00 0.00 O ATOM 0 H GLU A 87 -3.252 -5.141 -7.635 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.427 -6.184 -10.181 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.189 -7.770 -8.983 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.481 -7.843 -8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.902 -5.861 -6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.570 -7.472 -6.802 1.00 0.00 H new ATOM 1417 N ARG A 88 -6.362 -4.994 -9.170 1.00 0.00 N ATOM 1418 CA ARG A 88 -7.689 -4.687 -9.677 1.00 0.00 C ATOM 1419 C ARG A 88 -8.253 -3.432 -9.033 1.00 0.00 C ATOM 1420 O ARG A 88 -7.685 -2.900 -8.082 1.00 0.00 O ATOM 1421 CB ARG A 88 -8.659 -5.862 -9.464 1.00 0.00 C ATOM 1422 CG ARG A 88 -9.285 -5.901 -8.083 1.00 0.00 C ATOM 1423 CD ARG A 88 -10.424 -6.903 -8.011 1.00 0.00 C ATOM 1424 NE ARG A 88 -11.323 -6.606 -6.899 1.00 0.00 N ATOM 1425 CZ ARG A 88 -11.817 -7.523 -6.067 1.00 0.00 C ATOM 1426 NH1 ARG A 88 -11.534 -8.810 -6.242 1.00 0.00 N ATOM 1427 NH2 ARG A 88 -12.603 -7.153 -5.061 1.00 0.00 N ATOM 0 H ARG A 88 -6.215 -4.793 -8.181 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.585 -4.512 -10.748 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -9.452 -5.805 -10.210 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -8.125 -6.797 -9.637 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -8.525 -6.160 -7.346 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -9.656 -4.909 -7.823 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -10.983 -6.889 -8.947 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -10.020 -7.909 -7.896 1.00 0.00 H new ATOM 0 HE ARG A 88 -11.590 -5.633 -6.749 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -10.936 -9.100 -7.016 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -11.915 -9.507 -5.602 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -12.828 -6.167 -4.926 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -12.981 -7.855 -4.424 1.00 0.00 H new ATOM 1441 N ILE A 89 -9.381 -2.979 -9.557 1.00 0.00 N ATOM 1442 CA ILE A 89 -10.073 -1.813 -9.038 1.00 0.00 C ATOM 1443 C ILE A 89 -11.573 -2.004 -9.174 1.00 0.00 C ATOM 1444 O ILE A 89 -12.067 -2.386 -10.238 1.00 0.00 O ATOM 1445 CB ILE A 89 -9.652 -0.509 -9.768 1.00 0.00 C ATOM 1446 CG1 ILE A 89 -8.262 -0.076 -9.325 1.00 0.00 C ATOM 1447 CG2 ILE A 89 -10.641 0.616 -9.505 1.00 0.00 C ATOM 1448 CD1 ILE A 89 -8.170 0.201 -7.843 1.00 0.00 C ATOM 0 H ILE A 89 -9.843 -3.412 -10.357 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.798 -1.711 -7.988 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.643 -0.720 -10.837 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.545 -0.854 -9.588 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.975 0.821 -9.874 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -10.318 1.515 -10.030 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -11.629 0.323 -9.861 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.687 0.818 -8.435 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.154 0.505 -7.592 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.863 0.999 -7.578 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -8.426 -0.701 -7.288 1.00 0.00 H new ATOM 1460 N GLU A 90 -12.287 -1.745 -8.093 1.00 0.00 N ATOM 1461 CA GLU A 90 -13.738 -1.773 -8.028 1.00 0.00 C ATOM 1462 C GLU A 90 -14.274 -0.428 -8.415 1.00 0.00 C ATOM 1463 O GLU A 90 -13.629 0.306 -9.163 1.00 0.00 O ATOM 1464 CB GLU A 90 -14.190 -2.185 -6.628 1.00 0.00 C ATOM 1465 CG GLU A 90 -13.996 -3.668 -6.369 1.00 0.00 C ATOM 1466 CD GLU A 90 -14.109 -4.034 -4.910 1.00 0.00 C ATOM 1467 OE1 GLU A 90 -15.181 -3.804 -4.305 1.00 0.00 O ATOM 1468 OE2 GLU A 90 -13.124 -4.567 -4.364 1.00 0.00 O ATOM 0 H GLU A 90 -11.856 -1.500 -7.202 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.132 -2.511 -8.727 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.632 -1.614 -5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.242 -1.931 -6.500 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -14.738 -4.230 -6.937 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.016 -3.970 -6.738 1.00 0.00 H new ATOM 1475 N LYS A 91 -15.481 -0.140 -7.996 1.00 0.00 N ATOM 1476 CA LYS A 91 -16.144 1.077 -8.402 1.00 0.00 C ATOM 1477 C LYS A 91 -15.262 2.236 -8.002 1.00 0.00 C ATOM 1478 O LYS A 91 -14.358 2.086 -7.180 1.00 0.00 O ATOM 1479 CB LYS A 91 -17.508 1.191 -7.724 1.00 0.00 C ATOM 1480 CG LYS A 91 -18.384 -0.035 -7.929 1.00 0.00 C ATOM 1481 CD LYS A 91 -19.681 0.059 -7.144 1.00 0.00 C ATOM 1482 CE LYS A 91 -19.432 0.063 -5.643 1.00 0.00 C ATOM 1483 NZ LYS A 91 -20.700 0.132 -4.870 1.00 0.00 N ATOM 0 H LYS A 91 -16.027 -0.733 -7.372 1.00 0.00 H new ATOM 0 HA LYS A 91 -16.307 1.078 -9.480 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -17.363 1.351 -6.656 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -18.026 2.069 -8.111 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -18.609 -0.148 -8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -17.838 -0.927 -7.622 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -20.212 0.968 -7.427 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -20.325 -0.781 -7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -18.885 -0.838 -5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -18.801 0.913 -5.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -20.486 0.133 -3.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -21.210 1.004 -5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -21.292 -0.692 -5.099 1.00 0.00 H new