USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 674 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 41 MET CE :methyl -156:sc= -0.112 (180deg=-0.786) USER MOD Set 1.2: A 116 CYS SG : rot 78:sc= 1 USER MOD Set 2.1: A 79 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 83 ASN :FLIP amide:sc= -0.0943 F(o=-1.1,f=-0.094) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -175:sc= -0.567 (180deg=-0.709) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= 0.507 K(o=0.51,f=-9.6!) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= 0.512! (180deg=-1.04!) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -0.412 F(o=-1.2,f=-0.41) USER MOD Single : A 57 SER OG : rot 80:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot 170:sc= -6! USER MOD Single : A 84 GLN :FLIP amide:sc= -16.6! C(o=-18!,f=-17!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -152:sc= -0.164 (180deg=-1.14) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -1.21 K(o=-1.2,f=-1.9!) USER MOD Single : A 98 HIS : no HE2:sc= 0.555! C(o=0.56!,f=-9.1!) USER MOD Single : A 105 THR OG1 : rot -28:sc= 0.0524 USER MOD Single : A 106 THR OG1 : rot -46:sc= -4.08! USER MOD Single : A 114 GLN : amide:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 120 LYS NZ :NH3+ -172:sc= 0.873 (180deg=0.377) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 128 GLN : amide:sc= -0.0538 K(o=-0.054,f=-2.7!) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N SER A 33 0.211 -11.911 10.803 1.00 0.00 N ATOM 134 CA SER A 33 -0.493 -12.488 9.656 1.00 0.00 C ATOM 135 C SER A 33 -1.824 -13.120 10.044 1.00 0.00 C ATOM 136 O SER A 33 -1.925 -13.807 11.060 1.00 0.00 O ATOM 137 CB SER A 33 0.384 -13.560 9.013 1.00 0.00 C ATOM 138 OG SER A 33 -0.167 -13.936 7.760 1.00 0.00 O ATOM 0 HA SER A 33 -0.698 -11.674 8.961 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.397 -13.182 8.878 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.452 -14.429 9.667 1.00 0.00 H new ATOM 0 HG SER A 33 0.397 -14.623 7.347 1.00 0.00 H new ATOM 144 N LEU A 34 -2.843 -12.906 9.203 1.00 0.00 N ATOM 145 CA LEU A 34 -4.167 -13.482 9.443 1.00 0.00 C ATOM 146 C LEU A 34 -4.005 -14.915 9.925 1.00 0.00 C ATOM 147 O LEU A 34 -4.726 -15.376 10.808 1.00 0.00 O ATOM 148 CB LEU A 34 -4.974 -13.470 8.146 1.00 0.00 C ATOM 149 CG LEU A 34 -6.356 -14.072 8.393 1.00 0.00 C ATOM 150 CD1 LEU A 34 -7.109 -13.231 9.431 1.00 0.00 C ATOM 151 CD2 LEU A 34 -7.132 -14.082 7.076 1.00 0.00 C ATOM 0 H LEU A 34 -2.775 -12.342 8.356 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.691 -12.895 10.198 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.072 -12.449 7.777 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.452 -14.038 7.376 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.254 -15.090 8.770 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.094 -13.664 9.604 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.548 -13.219 10.366 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.220 -12.212 9.062 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.121 -14.510 7.240 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.235 -13.062 6.706 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.594 -14.682 6.341 1.00 0.00 H new ATOM 163 N GLU A 35 -3.038 -15.608 9.343 1.00 0.00 N ATOM 164 CA GLU A 35 -2.767 -16.982 9.722 1.00 0.00 C ATOM 165 C GLU A 35 -2.241 -17.050 11.154 1.00 0.00 C ATOM 166 O GLU A 35 -2.635 -17.919 11.925 1.00 0.00 O ATOM 167 CB GLU A 35 -1.725 -17.576 8.777 1.00 0.00 C ATOM 168 CG GLU A 35 -2.322 -17.709 7.376 1.00 0.00 C ATOM 169 CD GLU A 35 -1.269 -18.228 6.404 1.00 0.00 C ATOM 170 OE1 GLU A 35 -1.592 -18.372 5.236 1.00 0.00 O ATOM 171 OE2 GLU A 35 -0.156 -18.477 6.839 1.00 0.00 O ATOM 0 H GLU A 35 -2.431 -15.241 8.610 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.695 -17.550 9.658 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.841 -16.939 8.748 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.403 -18.552 9.141 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.174 -18.389 7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.695 -16.742 7.038 1.00 0.00 H new ATOM 178 N GLU A 36 -1.336 -16.138 11.503 1.00 0.00 N ATOM 179 CA GLU A 36 -0.759 -16.136 12.842 1.00 0.00 C ATOM 180 C GLU A 36 -1.807 -15.792 13.897 1.00 0.00 C ATOM 181 O GLU A 36 -1.808 -16.360 14.988 1.00 0.00 O ATOM 182 CB GLU A 36 0.412 -15.148 12.910 1.00 0.00 C ATOM 183 CG GLU A 36 1.498 -15.704 13.835 1.00 0.00 C ATOM 184 CD GLU A 36 2.143 -16.932 13.202 1.00 0.00 C ATOM 185 OE1 GLU A 36 1.853 -17.199 12.048 1.00 0.00 O ATOM 186 OE2 GLU A 36 2.925 -17.581 13.877 1.00 0.00 O ATOM 0 H GLU A 36 -0.992 -15.402 10.887 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.390 -17.140 13.053 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.819 -14.982 11.913 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.066 -14.182 13.278 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.254 -14.941 14.022 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.066 -15.967 14.800 1.00 0.00 H new ATOM 193 N LYS A 37 -2.703 -14.875 13.567 1.00 0.00 N ATOM 194 CA LYS A 37 -3.753 -14.485 14.501 1.00 0.00 C ATOM 195 C LYS A 37 -4.636 -15.664 14.846 1.00 0.00 C ATOM 196 O LYS A 37 -4.967 -15.887 16.010 1.00 0.00 O ATOM 197 CB LYS A 37 -4.615 -13.397 13.871 1.00 0.00 C ATOM 198 CG LYS A 37 -3.974 -12.042 14.123 1.00 0.00 C ATOM 199 CD LYS A 37 -4.467 -11.046 13.086 1.00 0.00 C ATOM 200 CE LYS A 37 -3.558 -11.138 11.861 1.00 0.00 C ATOM 201 NZ LYS A 37 -4.215 -10.505 10.680 1.00 0.00 N ATOM 0 H LYS A 37 -2.727 -14.390 12.670 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.280 -14.118 15.412 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.716 -13.571 12.800 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.619 -13.422 14.294 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.221 -11.692 15.125 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.888 -12.127 14.074 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.499 -11.264 12.810 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.453 -10.035 13.494 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.609 -10.643 12.066 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.333 -12.182 11.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.625 -10.649 9.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.148 -10.939 10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.331 -9.486 10.852 1.00 0.00 H new ATOM 215 N ILE A 38 -5.017 -16.416 13.832 1.00 0.00 N ATOM 216 CA ILE A 38 -5.864 -17.565 14.055 1.00 0.00 C ATOM 217 C ILE A 38 -5.127 -18.593 14.896 1.00 0.00 C ATOM 218 O ILE A 38 -5.687 -19.168 15.826 1.00 0.00 O ATOM 219 CB ILE A 38 -6.278 -18.178 12.724 1.00 0.00 C ATOM 220 CG1 ILE A 38 -7.219 -17.217 11.994 1.00 0.00 C ATOM 221 CG2 ILE A 38 -6.996 -19.500 12.987 1.00 0.00 C ATOM 222 CD1 ILE A 38 -7.427 -17.701 10.560 1.00 0.00 C ATOM 0 H ILE A 38 -4.757 -16.253 12.859 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.760 -17.247 14.587 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.397 -18.357 12.107 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.176 -17.163 12.513 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.800 -16.211 11.993 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.296 -19.946 12.039 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.325 -20.180 13.512 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.880 -19.319 13.598 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.097 -17.017 10.039 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.467 -17.732 10.044 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.865 -18.699 10.573 1.00 0.00 H new ATOM 234 N LYS A 39 -3.860 -18.810 14.566 1.00 0.00 N ATOM 235 CA LYS A 39 -3.043 -19.770 15.295 1.00 0.00 C ATOM 236 C LYS A 39 -2.925 -19.353 16.761 1.00 0.00 C ATOM 237 O LYS A 39 -3.038 -20.186 17.663 1.00 0.00 O ATOM 238 CB LYS A 39 -1.650 -19.849 14.647 1.00 0.00 C ATOM 239 CG LYS A 39 -1.782 -20.487 13.256 1.00 0.00 C ATOM 240 CD LYS A 39 -0.490 -20.293 12.440 1.00 0.00 C ATOM 241 CE LYS A 39 0.563 -21.332 12.831 1.00 0.00 C ATOM 242 NZ LYS A 39 1.642 -21.357 11.801 1.00 0.00 N ATOM 0 H LYS A 39 -3.378 -18.336 13.802 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.513 -20.752 15.254 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.216 -18.853 14.565 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.978 -20.439 15.270 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.997 -21.551 13.358 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.623 -20.041 12.725 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.711 -20.376 11.376 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.097 -19.290 12.607 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.983 -21.090 13.807 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.104 -22.317 12.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.358 -22.063 12.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.235 -21.607 10.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.086 -20.419 11.741 1.00 0.00 H new ATOM 256 N LEU A 40 -2.705 -18.062 16.993 1.00 0.00 N ATOM 257 CA LEU A 40 -2.578 -17.550 18.356 1.00 0.00 C ATOM 258 C LEU A 40 -3.884 -17.705 19.133 1.00 0.00 C ATOM 259 O LEU A 40 -3.887 -18.155 20.279 1.00 0.00 O ATOM 260 CB LEU A 40 -2.197 -16.070 18.319 1.00 0.00 C ATOM 261 CG LEU A 40 -2.081 -15.530 19.747 1.00 0.00 C ATOM 262 CD1 LEU A 40 -1.052 -16.352 20.527 1.00 0.00 C ATOM 263 CD2 LEU A 40 -1.637 -14.067 19.699 1.00 0.00 C ATOM 0 H LEU A 40 -2.611 -17.356 16.263 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.802 -18.128 18.858 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.251 -15.941 17.794 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.948 -15.505 17.766 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.049 -15.603 20.243 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.972 -15.965 21.543 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.368 -17.395 20.560 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.082 -16.282 20.035 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.553 -13.679 20.714 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.669 -13.997 19.203 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.372 -13.482 19.146 1.00 0.00 H new ATOM 275 N MET A 41 -4.990 -17.321 18.503 1.00 0.00 N ATOM 276 CA MET A 41 -6.299 -17.411 19.143 1.00 0.00 C ATOM 277 C MET A 41 -6.702 -18.870 19.317 1.00 0.00 C ATOM 278 O MET A 41 -7.384 -19.229 20.276 1.00 0.00 O ATOM 279 CB MET A 41 -7.348 -16.674 18.305 1.00 0.00 C ATOM 280 CG MET A 41 -7.047 -15.172 18.297 1.00 0.00 C ATOM 281 SD MET A 41 -7.162 -14.513 19.981 1.00 0.00 S ATOM 282 CE MET A 41 -8.963 -14.601 20.145 1.00 0.00 C ATOM 0 H MET A 41 -5.007 -16.946 17.555 1.00 0.00 H new ATOM 0 HA MET A 41 -6.240 -16.943 20.126 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.348 -17.059 17.285 1.00 0.00 H new ATOM 0 HB3 MET A 41 -8.343 -16.852 18.713 1.00 0.00 H new ATOM 0 HG2 MET A 41 -6.050 -14.994 17.894 1.00 0.00 H new ATOM 0 HG3 MET A 41 -7.751 -14.654 17.645 1.00 0.00 H new ATOM 0 HE1 MET A 41 -9.296 -13.881 20.893 1.00 0.00 H new ATOM 0 HE2 MET A 41 -9.427 -14.369 19.186 1.00 0.00 H new ATOM 0 HE3 MET A 41 -9.252 -15.605 20.455 1.00 0.00 H new ATOM 292 N ARG A 42 -6.272 -19.703 18.379 1.00 0.00 N ATOM 293 CA ARG A 42 -6.585 -21.123 18.431 1.00 0.00 C ATOM 294 C ARG A 42 -5.995 -21.752 19.690 1.00 0.00 C ATOM 295 O ARG A 42 -6.447 -22.804 20.138 1.00 0.00 O ATOM 296 CB ARG A 42 -6.034 -21.821 17.185 1.00 0.00 C ATOM 297 CG ARG A 42 -6.975 -21.578 16.000 1.00 0.00 C ATOM 298 CD ARG A 42 -8.083 -22.635 15.991 1.00 0.00 C ATOM 299 NE ARG A 42 -7.525 -23.942 15.667 1.00 0.00 N ATOM 300 CZ ARG A 42 -8.296 -25.023 15.600 1.00 0.00 C ATOM 301 NH1 ARG A 42 -7.771 -26.181 15.304 1.00 0.00 N ATOM 302 NH2 ARG A 42 -9.576 -24.927 15.831 1.00 0.00 N ATOM 0 H ARG A 42 -5.708 -19.421 17.577 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.668 -21.244 18.459 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -5.038 -21.443 16.955 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.934 -22.891 17.369 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.411 -20.581 16.069 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.415 -21.617 15.066 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.571 -22.670 16.965 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.847 -22.366 15.262 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.525 -24.029 15.488 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.770 -26.256 15.124 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.362 -27.011 15.252 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.986 -24.022 16.063 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.167 -25.757 15.779 1.00 0.00 H new ATOM 316 N LEU A 43 -4.983 -21.101 20.256 1.00 0.00 N ATOM 317 CA LEU A 43 -4.348 -21.612 21.468 1.00 0.00 C ATOM 318 C LEU A 43 -4.993 -21.023 22.721 1.00 0.00 C ATOM 319 O LEU A 43 -5.142 -21.712 23.730 1.00 0.00 O ATOM 320 CB LEU A 43 -2.858 -21.279 21.468 1.00 0.00 C ATOM 321 CG LEU A 43 -2.132 -22.097 20.398 1.00 0.00 C ATOM 322 CD1 LEU A 43 -0.657 -21.695 20.390 1.00 0.00 C ATOM 323 CD2 LEU A 43 -2.256 -23.597 20.705 1.00 0.00 C ATOM 0 H LEU A 43 -4.589 -20.230 19.901 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.483 -22.694 21.479 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.716 -20.215 21.281 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.431 -21.490 22.449 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.579 -21.902 19.423 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.127 -22.271 19.631 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.571 -20.632 20.165 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.220 -21.895 21.368 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.736 -24.170 19.937 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.812 -23.807 21.678 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.309 -23.880 20.718 1.00 0.00 H new ATOM 335 N VAL A 44 -5.363 -19.748 22.657 1.00 0.00 N ATOM 336 CA VAL A 44 -5.981 -19.088 23.800 1.00 0.00 C ATOM 337 C VAL A 44 -7.302 -19.772 24.141 1.00 0.00 C ATOM 338 O VAL A 44 -7.581 -20.062 25.305 1.00 0.00 O ATOM 339 CB VAL A 44 -6.221 -17.609 23.470 1.00 0.00 C ATOM 340 CG1 VAL A 44 -6.826 -16.879 24.678 1.00 0.00 C ATOM 341 CG2 VAL A 44 -4.890 -16.957 23.090 1.00 0.00 C ATOM 0 H VAL A 44 -5.247 -19.157 21.834 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.317 -19.158 24.662 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.920 -17.540 22.637 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.989 -15.831 24.426 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.777 -17.341 24.943 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.142 -16.946 25.524 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.054 -15.906 22.854 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.194 -17.037 23.925 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.472 -17.463 22.220 1.00 0.00 H new ATOM 351 N VAL A 45 -8.107 -20.029 23.118 1.00 0.00 N ATOM 352 CA VAL A 45 -9.395 -20.680 23.318 1.00 0.00 C ATOM 353 C VAL A 45 -9.205 -22.091 23.863 1.00 0.00 C ATOM 354 O VAL A 45 -9.917 -22.518 24.769 1.00 0.00 O ATOM 355 CB VAL A 45 -10.176 -20.728 22.009 1.00 0.00 C ATOM 356 CG1 VAL A 45 -11.421 -21.599 22.188 1.00 0.00 C ATOM 357 CG2 VAL A 45 -10.606 -19.309 21.636 1.00 0.00 C ATOM 0 H VAL A 45 -7.893 -19.798 22.148 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.961 -20.098 24.046 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.549 -21.148 21.222 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.979 -21.633 21.252 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.121 -22.609 22.469 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -12.051 -21.177 22.971 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.166 -19.332 20.701 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.236 -18.900 22.426 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.723 -18.681 21.515 1.00 0.00 H new ATOM 367 N ARG A 46 -8.247 -22.813 23.300 1.00 0.00 N ATOM 368 CA ARG A 46 -7.979 -24.177 23.735 1.00 0.00 C ATOM 369 C ARG A 46 -7.489 -24.197 25.185 1.00 0.00 C ATOM 370 O ARG A 46 -7.499 -25.242 25.836 1.00 0.00 O ATOM 371 CB ARG A 46 -6.934 -24.811 22.813 1.00 0.00 C ATOM 372 CG ARG A 46 -6.724 -26.276 23.197 1.00 0.00 C ATOM 373 CD ARG A 46 -5.758 -26.932 22.206 1.00 0.00 C ATOM 374 NE ARG A 46 -5.682 -28.368 22.451 1.00 0.00 N ATOM 375 CZ ARG A 46 -4.706 -29.106 21.934 1.00 0.00 C ATOM 376 NH1 ARG A 46 -4.663 -30.389 22.171 1.00 0.00 N ATOM 377 NH2 ARG A 46 -3.791 -28.548 21.189 1.00 0.00 N ATOM 0 H ARG A 46 -7.646 -22.481 22.546 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.903 -24.752 23.683 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.261 -24.741 21.776 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.992 -24.267 22.888 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.325 -26.344 24.209 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.678 -26.804 23.195 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.092 -26.747 21.185 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.768 -26.486 22.303 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.393 -28.814 23.031 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.379 -30.824 22.753 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.914 -30.956 21.774 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.826 -27.546 21.004 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.041 -29.114 20.792 1.00 0.00 H new ATOM 391 N HIS A 47 -7.057 -23.037 25.685 1.00 0.00 N ATOM 392 CA HIS A 47 -6.560 -22.935 27.060 1.00 0.00 C ATOM 393 C HIS A 47 -7.310 -21.848 27.828 1.00 0.00 C ATOM 394 O HIS A 47 -6.782 -21.253 28.769 1.00 0.00 O ATOM 395 CB HIS A 47 -5.067 -22.620 27.037 1.00 0.00 C ATOM 396 CG HIS A 47 -4.357 -23.682 26.245 1.00 0.00 C ATOM 397 ND1 HIS A 47 -4.264 -23.632 24.863 1.00 0.00 N ATOM 398 CD2 HIS A 47 -3.696 -24.824 26.624 1.00 0.00 C ATOM 399 CE1 HIS A 47 -3.572 -24.714 24.463 1.00 0.00 C ATOM 400 NE2 HIS A 47 -3.202 -25.475 25.497 1.00 0.00 N ATOM 0 H HIS A 47 -7.041 -22.161 25.163 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.726 -23.886 27.565 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.895 -21.640 26.592 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.674 -22.582 28.053 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -4.650 -22.906 24.259 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.577 -25.165 27.642 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.343 -24.940 23.432 1.00 0.00 H new ATOM 407 N LYS A 48 -8.545 -21.599 27.414 1.00 0.00 N ATOM 408 CA LYS A 48 -9.379 -20.591 28.050 1.00 0.00 C ATOM 409 C LYS A 48 -9.739 -21.005 29.479 1.00 0.00 C ATOM 410 O LYS A 48 -9.869 -20.160 30.365 1.00 0.00 O ATOM 411 CB LYS A 48 -10.634 -20.389 27.202 1.00 0.00 C ATOM 412 CG LYS A 48 -11.493 -21.645 27.206 1.00 0.00 C ATOM 413 CD LYS A 48 -12.715 -21.380 26.338 1.00 0.00 C ATOM 414 CE LYS A 48 -13.588 -22.626 26.292 1.00 0.00 C ATOM 415 NZ LYS A 48 -14.773 -22.355 25.437 1.00 0.00 N ATOM 0 H LYS A 48 -8.992 -22.085 26.636 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.832 -19.650 28.116 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.209 -19.548 27.589 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.352 -20.139 26.179 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.929 -22.494 26.821 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.795 -21.897 28.223 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.283 -20.540 26.738 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.405 -21.103 25.330 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.022 -23.468 25.894 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.905 -22.901 27.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.492 -23.089 25.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -15.169 -21.424 25.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.488 -22.363 24.437 1.00 0.00 H new ATOM 429 N HIS A 49 -9.891 -22.310 29.693 1.00 0.00 N ATOM 430 CA HIS A 49 -10.224 -22.840 31.016 1.00 0.00 C ATOM 431 C HIS A 49 -9.068 -22.644 32.000 1.00 0.00 C ATOM 432 O HIS A 49 -9.286 -22.315 33.167 1.00 0.00 O ATOM 433 CB HIS A 49 -10.549 -24.330 30.910 1.00 0.00 C ATOM 434 CG HIS A 49 -11.899 -24.502 30.275 1.00 0.00 C ATOM 435 ND1 HIS A 49 -13.170 -24.363 30.776 1.00 0.00 N flip ATOM 436 CD2 HIS A 49 -12.054 -24.855 28.945 1.00 0.00 C flip ATOM 437 CE1 HIS A 49 -14.099 -24.627 29.775 1.00 0.00 C flip ATOM 438 NE2 HIS A 49 -13.373 -24.918 28.692 1.00 0.00 N flip ATOM 0 H HIS A 49 -9.789 -23.021 28.969 1.00 0.00 H new ATOM 0 HA HIS A 49 -11.091 -22.294 31.388 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.789 -24.838 30.317 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -10.539 -24.787 31.900 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -11.259 -25.045 28.239 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -15.176 -24.602 29.856 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -13.771 -25.159 27.784 1.00 0.00 H new ATOM 445 N GLU A 50 -7.841 -22.860 31.531 1.00 0.00 N ATOM 446 CA GLU A 50 -6.671 -22.714 32.392 1.00 0.00 C ATOM 447 C GLU A 50 -6.663 -21.353 33.077 1.00 0.00 C ATOM 448 O GLU A 50 -6.898 -20.325 32.443 1.00 0.00 O ATOM 449 CB GLU A 50 -5.389 -22.879 31.576 1.00 0.00 C ATOM 450 CG GLU A 50 -5.255 -24.332 31.120 1.00 0.00 C ATOM 451 CD GLU A 50 -4.012 -24.489 30.253 1.00 0.00 C ATOM 452 OE1 GLU A 50 -3.366 -23.487 29.994 1.00 0.00 O ATOM 453 OE2 GLU A 50 -3.716 -25.610 29.871 1.00 0.00 O ATOM 0 H GLU A 50 -7.633 -23.134 30.571 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.719 -23.490 33.156 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.409 -22.216 30.711 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.525 -22.594 32.176 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.190 -24.990 31.987 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.141 -24.630 30.559 1.00 0.00 H new ATOM 567 N SER A 57 -0.438 -13.207 35.046 1.00 0.00 N ATOM 568 CA SER A 57 0.337 -13.383 33.822 1.00 0.00 C ATOM 569 C SER A 57 0.614 -14.858 33.553 1.00 0.00 C ATOM 570 O SER A 57 0.928 -15.242 32.427 1.00 0.00 O ATOM 571 CB SER A 57 1.665 -12.635 33.934 1.00 0.00 C ATOM 572 OG SER A 57 2.388 -12.782 32.719 1.00 0.00 O ATOM 0 HA SER A 57 -0.248 -12.981 32.994 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.485 -11.580 34.139 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.248 -13.027 34.768 1.00 0.00 H new ATOM 0 HG SER A 57 2.039 -12.154 32.052 1.00 0.00 H new ATOM 578 N GLU A 58 0.505 -15.683 34.587 1.00 0.00 N ATOM 579 CA GLU A 58 0.761 -17.109 34.430 1.00 0.00 C ATOM 580 C GLU A 58 0.038 -17.650 33.205 1.00 0.00 C ATOM 581 O GLU A 58 0.466 -18.636 32.608 1.00 0.00 O ATOM 582 CB GLU A 58 0.303 -17.867 35.675 1.00 0.00 C ATOM 583 CG GLU A 58 0.624 -19.353 35.519 1.00 0.00 C ATOM 584 CD GLU A 58 0.414 -20.072 36.845 1.00 0.00 C ATOM 585 OE1 GLU A 58 -0.075 -19.439 37.768 1.00 0.00 O ATOM 586 OE2 GLU A 58 0.749 -21.242 36.922 1.00 0.00 O ATOM 0 H GLU A 58 0.245 -15.395 35.530 1.00 0.00 H new ATOM 0 HA GLU A 58 1.833 -17.252 34.297 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.800 -17.468 36.559 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.768 -17.730 35.823 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.014 -19.793 34.752 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.655 -19.478 35.187 1.00 0.00 H new ATOM 593 N PHE A 59 -1.055 -17.001 32.831 1.00 0.00 N ATOM 594 CA PHE A 59 -1.821 -17.435 31.671 1.00 0.00 C ATOM 595 C PHE A 59 -1.155 -16.983 30.380 1.00 0.00 C ATOM 596 O PHE A 59 -0.713 -17.802 29.576 1.00 0.00 O ATOM 597 CB PHE A 59 -3.233 -16.858 31.729 1.00 0.00 C ATOM 598 CG PHE A 59 -3.934 -17.122 30.418 1.00 0.00 C ATOM 599 CD1 PHE A 59 -4.208 -18.439 30.027 1.00 0.00 C ATOM 600 CD2 PHE A 59 -4.321 -16.055 29.598 1.00 0.00 C ATOM 601 CE1 PHE A 59 -4.868 -18.688 28.819 1.00 0.00 C ATOM 602 CE2 PHE A 59 -4.980 -16.304 28.389 1.00 0.00 C ATOM 603 CZ PHE A 59 -5.254 -17.621 27.999 1.00 0.00 C ATOM 0 H PHE A 59 -1.429 -16.180 33.308 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.864 -18.524 31.687 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.790 -17.310 32.550 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.193 -15.786 31.924 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.909 -19.263 30.659 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.111 -15.039 29.899 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.080 -19.704 28.519 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.277 -15.481 27.757 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.763 -17.813 27.066 1.00 0.00 H new ATOM 613 N TYR A 60 -1.102 -15.673 30.186 1.00 0.00 N ATOM 614 CA TYR A 60 -0.507 -15.118 28.984 1.00 0.00 C ATOM 615 C TYR A 60 0.950 -15.558 28.867 1.00 0.00 C ATOM 616 O TYR A 60 1.475 -15.722 27.765 1.00 0.00 O ATOM 617 CB TYR A 60 -0.588 -13.592 29.022 1.00 0.00 C ATOM 618 CG TYR A 60 -2.020 -13.158 29.227 1.00 0.00 C ATOM 619 CD1 TYR A 60 -2.477 -12.837 30.511 1.00 0.00 C ATOM 620 CD2 TYR A 60 -2.890 -13.073 28.133 1.00 0.00 C ATOM 621 CE1 TYR A 60 -3.804 -12.432 30.700 1.00 0.00 C ATOM 622 CE2 TYR A 60 -4.215 -12.668 28.322 1.00 0.00 C ATOM 623 CZ TYR A 60 -4.672 -12.347 29.606 1.00 0.00 C ATOM 624 OH TYR A 60 -5.980 -11.944 29.790 1.00 0.00 O ATOM 0 H TYR A 60 -1.462 -14.980 30.842 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.056 -15.484 28.117 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.037 -13.206 29.827 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.202 -13.175 28.092 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.806 -12.902 31.355 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.537 -13.320 27.143 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.157 -12.185 31.690 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.886 -12.603 27.478 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.445 -11.939 28.927 1.00 0.00 H new ATOM 634 N ALA A 61 1.594 -15.754 30.014 1.00 0.00 N ATOM 635 CA ALA A 61 2.988 -16.185 30.039 1.00 0.00 C ATOM 636 C ALA A 61 3.125 -17.592 29.460 1.00 0.00 C ATOM 637 O ALA A 61 4.199 -17.982 29.005 1.00 0.00 O ATOM 638 CB ALA A 61 3.519 -16.164 31.474 1.00 0.00 C ATOM 0 H ALA A 61 1.175 -15.622 30.935 1.00 0.00 H new ATOM 0 HA ALA A 61 3.572 -15.496 29.429 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.560 -16.487 31.482 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.451 -15.152 31.873 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.925 -16.838 32.092 1.00 0.00 H new ATOM 644 N LYS A 62 2.030 -18.351 29.486 1.00 0.00 N ATOM 645 CA LYS A 62 2.044 -19.714 28.959 1.00 0.00 C ATOM 646 C LYS A 62 1.666 -19.738 27.479 1.00 0.00 C ATOM 647 O LYS A 62 2.169 -20.564 26.719 1.00 0.00 O ATOM 648 CB LYS A 62 1.066 -20.609 29.737 1.00 0.00 C ATOM 649 CG LYS A 62 1.710 -21.100 31.040 1.00 0.00 C ATOM 650 CD LYS A 62 0.849 -22.215 31.651 1.00 0.00 C ATOM 651 CE LYS A 62 -0.486 -21.652 32.143 1.00 0.00 C ATOM 652 NZ LYS A 62 -1.196 -22.690 32.944 1.00 0.00 N ATOM 0 H LYS A 62 1.131 -18.049 29.862 1.00 0.00 H new ATOM 0 HA LYS A 62 3.059 -20.094 29.075 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.155 -20.054 29.961 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.777 -21.462 29.123 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.716 -21.470 30.843 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.806 -20.274 31.744 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.671 -22.993 30.909 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.382 -22.681 32.480 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.317 -20.762 32.749 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.100 -21.348 31.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.104 -22.309 33.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.369 -23.527 32.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.611 -22.959 33.761 1.00 0.00 H new ATOM 666 N ILE A 63 0.767 -18.846 27.081 1.00 0.00 N ATOM 667 CA ILE A 63 0.320 -18.800 25.693 1.00 0.00 C ATOM 668 C ILE A 63 1.479 -18.445 24.768 1.00 0.00 C ATOM 669 O ILE A 63 1.651 -19.049 23.709 1.00 0.00 O ATOM 670 CB ILE A 63 -0.786 -17.754 25.541 1.00 0.00 C ATOM 671 CG1 ILE A 63 -2.025 -18.181 26.348 1.00 0.00 C ATOM 672 CG2 ILE A 63 -1.151 -17.600 24.061 1.00 0.00 C ATOM 673 CD1 ILE A 63 -2.529 -19.556 25.898 1.00 0.00 C ATOM 0 H ILE A 63 0.337 -18.151 27.692 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.062 -19.784 25.420 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.430 -16.797 25.922 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.779 -18.210 27.410 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.816 -17.442 26.224 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.939 -16.854 23.956 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.272 -17.280 23.501 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.502 -18.556 23.671 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.405 -19.832 26.485 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.797 -19.518 24.842 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.744 -20.298 26.046 1.00 0.00 H new ATOM 685 N ALA A 64 2.271 -17.458 25.172 1.00 0.00 N ATOM 686 CA ALA A 64 3.410 -17.032 24.369 1.00 0.00 C ATOM 687 C ALA A 64 4.479 -18.114 24.372 1.00 0.00 C ATOM 688 O ALA A 64 5.342 -18.155 23.495 1.00 0.00 O ATOM 689 CB ALA A 64 3.975 -15.715 24.919 1.00 0.00 C ATOM 0 H ALA A 64 2.147 -16.942 26.043 1.00 0.00 H new ATOM 0 HA ALA A 64 3.084 -16.868 23.342 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.826 -15.403 24.314 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.204 -14.946 24.884 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.297 -15.860 25.950 1.00 0.00 H new ATOM 695 N ARG A 65 4.416 -18.986 25.368 1.00 0.00 N ATOM 696 CA ARG A 65 5.379 -20.067 25.475 1.00 0.00 C ATOM 697 C ARG A 65 5.048 -21.179 24.480 1.00 0.00 C ATOM 698 O ARG A 65 5.918 -21.650 23.749 1.00 0.00 O ATOM 699 CB ARG A 65 5.376 -20.622 26.897 1.00 0.00 C ATOM 700 CG ARG A 65 6.465 -21.684 27.024 1.00 0.00 C ATOM 701 CD ARG A 65 6.465 -22.242 28.445 1.00 0.00 C ATOM 702 NE ARG A 65 6.888 -21.214 29.391 1.00 0.00 N ATOM 703 CZ ARG A 65 6.948 -21.467 30.694 1.00 0.00 C ATOM 704 NH1 ARG A 65 7.332 -20.535 31.523 1.00 0.00 N ATOM 705 NH2 ARG A 65 6.621 -22.648 31.145 1.00 0.00 N ATOM 0 H ARG A 65 3.713 -18.965 26.107 1.00 0.00 H new ATOM 0 HA ARG A 65 6.370 -19.678 25.243 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.549 -19.819 27.614 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.402 -21.053 27.130 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.292 -22.486 26.306 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.438 -21.252 26.791 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.467 -22.596 28.704 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.134 -23.100 28.506 1.00 0.00 H new ATOM 0 HE ARG A 65 7.141 -20.288 29.047 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.586 -19.612 31.171 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.378 -20.729 32.523 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.320 -23.376 30.497 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.667 -22.843 32.145 1.00 0.00 H new ATOM 719 N ILE A 66 3.782 -21.589 24.457 1.00 0.00 N ATOM 720 CA ILE A 66 3.344 -22.642 23.546 1.00 0.00 C ATOM 721 C ILE A 66 3.123 -22.087 22.141 1.00 0.00 C ATOM 722 O ILE A 66 3.135 -22.831 21.161 1.00 0.00 O ATOM 723 CB ILE A 66 2.059 -23.287 24.069 1.00 0.00 C ATOM 724 CG1 ILE A 66 2.355 -23.993 25.396 1.00 0.00 C ATOM 725 CG2 ILE A 66 1.547 -24.312 23.055 1.00 0.00 C ATOM 726 CD1 ILE A 66 1.045 -24.412 26.063 1.00 0.00 C ATOM 0 H ILE A 66 3.047 -21.211 25.054 1.00 0.00 H new ATOM 0 HA ILE A 66 4.126 -23.400 23.494 1.00 0.00 H new ATOM 0 HB ILE A 66 1.301 -22.518 24.219 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.981 -24.868 25.221 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.913 -23.328 26.055 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.632 -24.770 23.431 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.342 -23.815 22.107 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.302 -25.083 22.904 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.261 -24.914 27.006 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.435 -23.529 26.253 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.504 -25.093 25.406 1.00 0.00 H new ATOM 738 N GLY A 67 2.913 -20.777 22.050 1.00 0.00 N ATOM 739 CA GLY A 67 2.684 -20.138 20.757 1.00 0.00 C ATOM 740 C GLY A 67 3.985 -19.989 19.976 1.00 0.00 C ATOM 741 O GLY A 67 3.972 -19.716 18.778 1.00 0.00 O ATOM 0 H GLY A 67 2.897 -20.142 22.848 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.975 -20.729 20.177 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.233 -19.157 20.908 1.00 0.00 H new ATOM 745 N TYR A 68 5.112 -20.166 20.656 1.00 0.00 N ATOM 746 CA TYR A 68 6.412 -20.051 19.999 1.00 0.00 C ATOM 747 C TYR A 68 7.137 -21.391 20.014 1.00 0.00 C ATOM 748 O TYR A 68 8.185 -21.548 19.389 1.00 0.00 O ATOM 749 CB TYR A 68 7.259 -18.990 20.700 1.00 0.00 C ATOM 750 CG TYR A 68 8.682 -19.072 20.205 1.00 0.00 C ATOM 751 CD1 TYR A 68 8.986 -18.719 18.885 1.00 0.00 C ATOM 752 CD2 TYR A 68 9.698 -19.498 21.068 1.00 0.00 C ATOM 753 CE1 TYR A 68 10.308 -18.793 18.428 1.00 0.00 C ATOM 754 CE2 TYR A 68 11.020 -19.573 20.611 1.00 0.00 C ATOM 755 CZ TYR A 68 11.324 -19.220 19.291 1.00 0.00 C ATOM 756 OH TYR A 68 12.626 -19.293 18.840 1.00 0.00 O ATOM 0 H TYR A 68 5.155 -20.387 21.651 1.00 0.00 H new ATOM 0 HA TYR A 68 6.253 -19.753 18.963 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.852 -17.998 20.505 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.229 -19.141 21.779 1.00 0.00 H new ATOM 0 HD1 TYR A 68 8.202 -18.390 18.219 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.463 -19.769 22.087 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.543 -18.521 17.410 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.804 -19.903 21.276 1.00 0.00 H new ATOM 0 HH TYR A 68 13.206 -19.606 19.565 1.00 0.00 H new ATOM 766 N GLU A 69 6.571 -22.355 20.735 1.00 0.00 N ATOM 767 CA GLU A 69 7.168 -23.683 20.829 1.00 0.00 C ATOM 768 C GLU A 69 6.353 -24.703 20.036 1.00 0.00 C ATOM 769 O GLU A 69 6.679 -25.890 20.018 1.00 0.00 O ATOM 770 CB GLU A 69 7.252 -24.108 22.294 1.00 0.00 C ATOM 771 CG GLU A 69 8.267 -23.221 23.020 1.00 0.00 C ATOM 772 CD GLU A 69 8.300 -23.570 24.502 1.00 0.00 C ATOM 773 OE1 GLU A 69 7.575 -24.470 24.895 1.00 0.00 O ATOM 774 OE2 GLU A 69 9.052 -22.937 25.225 1.00 0.00 O ATOM 0 H GLU A 69 5.704 -22.242 21.260 1.00 0.00 H new ATOM 0 HA GLU A 69 8.171 -23.643 20.405 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.273 -24.022 22.766 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.550 -25.154 22.365 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.257 -23.356 22.584 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.002 -22.171 22.891 1.00 0.00 H new ATOM 781 N ASP A 70 5.296 -24.234 19.378 1.00 0.00 N ATOM 782 CA ASP A 70 4.449 -25.119 18.581 1.00 0.00 C ATOM 783 C ASP A 70 3.992 -24.428 17.300 1.00 0.00 C ATOM 784 O ASP A 70 4.030 -25.017 16.221 1.00 0.00 O ATOM 785 CB ASP A 70 3.225 -25.549 19.392 1.00 0.00 C ATOM 786 CG ASP A 70 3.637 -26.545 20.471 1.00 0.00 C ATOM 787 OD1 ASP A 70 4.715 -27.105 20.350 1.00 0.00 O ATOM 788 OD2 ASP A 70 2.869 -26.737 21.398 1.00 0.00 O ATOM 0 H ASP A 70 5.007 -23.256 19.380 1.00 0.00 H new ATOM 0 HA ASP A 70 5.037 -25.998 18.315 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.757 -24.677 19.850 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.483 -26.000 18.734 1.00 0.00 H new ATOM 793 N GLU A 71 3.557 -23.179 17.428 1.00 0.00 N ATOM 794 CA GLU A 71 3.090 -22.430 16.267 1.00 0.00 C ATOM 795 C GLU A 71 4.254 -21.733 15.576 1.00 0.00 C ATOM 796 O GLU A 71 4.163 -21.363 14.404 1.00 0.00 O ATOM 797 CB GLU A 71 2.055 -21.393 16.703 1.00 0.00 C ATOM 798 CG GLU A 71 0.840 -22.102 17.307 1.00 0.00 C ATOM 799 CD GLU A 71 0.176 -23.011 16.277 1.00 0.00 C ATOM 800 OE1 GLU A 71 0.414 -22.811 15.097 1.00 0.00 O ATOM 801 OE2 GLU A 71 -0.571 -23.885 16.684 1.00 0.00 O ATOM 0 H GLU A 71 3.518 -22.670 18.311 1.00 0.00 H new ATOM 0 HA GLU A 71 2.634 -23.127 15.564 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.492 -20.713 17.434 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.749 -20.789 15.849 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.149 -22.689 18.172 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.122 -21.363 17.663 1.00 0.00 H new ATOM 808 N GLY A 72 5.350 -21.558 16.303 1.00 0.00 N ATOM 809 CA GLY A 72 6.528 -20.907 15.744 1.00 0.00 C ATOM 810 C GLY A 72 6.279 -19.418 15.505 1.00 0.00 C ATOM 811 O GLY A 72 6.472 -18.919 14.396 1.00 0.00 O ATOM 0 H GLY A 72 5.448 -21.855 17.274 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.372 -21.032 16.423 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.800 -21.388 14.804 1.00 0.00 H new ATOM 893 N GLU A 78 5.589 -11.585 28.085 1.00 0.00 N ATOM 894 CA GLU A 78 4.320 -11.548 28.805 1.00 0.00 C ATOM 895 C GLU A 78 3.497 -10.316 28.424 1.00 0.00 C ATOM 896 O GLU A 78 2.307 -10.416 28.137 1.00 0.00 O ATOM 897 CB GLU A 78 4.587 -11.521 30.310 1.00 0.00 C ATOM 898 CG GLU A 78 5.202 -12.851 30.748 1.00 0.00 C ATOM 899 CD GLU A 78 5.549 -12.796 32.232 1.00 0.00 C ATOM 900 OE1 GLU A 78 5.282 -11.773 32.842 1.00 0.00 O ATOM 901 OE2 GLU A 78 6.072 -13.774 32.737 1.00 0.00 O ATOM 0 HA GLU A 78 3.754 -12.440 28.534 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.260 -10.700 30.555 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.658 -11.343 30.851 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.503 -13.665 30.559 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.098 -13.058 30.163 1.00 0.00 H new ATOM 908 N SER A 79 4.129 -9.152 28.443 1.00 0.00 N ATOM 909 CA SER A 79 3.427 -7.913 28.116 1.00 0.00 C ATOM 910 C SER A 79 2.866 -7.950 26.697 1.00 0.00 C ATOM 911 O SER A 79 1.704 -7.612 26.470 1.00 0.00 O ATOM 912 CB SER A 79 4.388 -6.735 28.239 1.00 0.00 C ATOM 913 OG SER A 79 3.698 -5.533 27.928 1.00 0.00 O ATOM 0 H SER A 79 5.115 -9.036 28.678 1.00 0.00 H new ATOM 0 HA SER A 79 2.597 -7.801 28.814 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.793 -6.685 29.250 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.233 -6.868 27.564 1.00 0.00 H new ATOM 0 HG SER A 79 4.312 -4.773 28.007 1.00 0.00 H new ATOM 919 N ALA A 80 3.698 -8.364 25.749 1.00 0.00 N ATOM 920 CA ALA A 80 3.278 -8.441 24.353 1.00 0.00 C ATOM 921 C ALA A 80 2.120 -9.421 24.213 1.00 0.00 C ATOM 922 O ALA A 80 1.272 -9.304 23.331 1.00 0.00 O ATOM 923 CB ALA A 80 4.463 -8.889 23.490 1.00 0.00 C ATOM 0 H ALA A 80 4.662 -8.650 25.919 1.00 0.00 H new ATOM 0 HA ALA A 80 2.944 -7.459 24.018 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.152 -8.947 22.447 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.276 -8.169 23.587 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.805 -9.869 23.822 1.00 0.00 H new ATOM 929 N CYS A 81 2.092 -10.387 25.107 1.00 0.00 N ATOM 930 CA CYS A 81 1.047 -11.394 25.110 1.00 0.00 C ATOM 931 C CYS A 81 -0.284 -10.783 25.533 1.00 0.00 C ATOM 932 O CYS A 81 -1.342 -11.386 25.352 1.00 0.00 O ATOM 933 CB CYS A 81 1.438 -12.493 26.085 1.00 0.00 C ATOM 934 SG CYS A 81 3.152 -12.961 25.779 1.00 0.00 S ATOM 0 H CYS A 81 2.785 -10.498 25.847 1.00 0.00 H new ATOM 0 HA CYS A 81 0.933 -11.801 24.105 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.319 -12.146 27.112 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.784 -13.356 25.962 1.00 0.00 H new ATOM 0 HG CYS A 81 3.566 -13.740 26.734 1.00 0.00 H new ATOM 940 N ARG A 82 -0.224 -9.586 26.111 1.00 0.00 N ATOM 941 CA ARG A 82 -1.432 -8.906 26.567 1.00 0.00 C ATOM 942 C ARG A 82 -1.841 -7.817 25.590 1.00 0.00 C ATOM 943 O ARG A 82 -2.998 -7.427 25.542 1.00 0.00 O ATOM 944 CB ARG A 82 -1.190 -8.285 27.943 1.00 0.00 C ATOM 945 CG ARG A 82 -0.973 -9.396 28.969 1.00 0.00 C ATOM 946 CD ARG A 82 -0.627 -8.778 30.324 1.00 0.00 C ATOM 947 NE ARG A 82 -1.755 -8.005 30.830 1.00 0.00 N ATOM 948 CZ ARG A 82 -1.647 -7.291 31.945 1.00 0.00 C ATOM 949 NH1 ARG A 82 -2.669 -6.610 32.386 1.00 0.00 N ATOM 950 NH2 ARG A 82 -0.519 -7.272 32.601 1.00 0.00 N ATOM 0 H ARG A 82 0.641 -9.071 26.274 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.234 -9.641 26.629 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.320 -7.630 27.911 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.042 -7.669 28.232 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.872 -10.007 29.055 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.169 -10.056 28.642 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -0.368 -9.563 31.034 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.248 -8.136 30.226 1.00 0.00 H new ATOM 0 HE ARG A 82 -2.639 -8.013 30.321 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -3.551 -6.626 31.875 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -2.586 -6.062 33.242 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.280 -7.805 32.258 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -0.436 -6.724 33.457 1.00 0.00 H new ATOM 964 N ASN A 83 -0.882 -7.321 24.827 1.00 0.00 N ATOM 965 CA ASN A 83 -1.153 -6.265 23.860 1.00 0.00 C ATOM 966 C ASN A 83 -1.690 -6.836 22.550 1.00 0.00 C ATOM 967 O ASN A 83 -2.635 -6.308 21.964 1.00 0.00 O ATOM 968 CB ASN A 83 0.136 -5.492 23.590 1.00 0.00 C ATOM 969 CG ASN A 83 0.684 -4.939 24.903 1.00 0.00 C ATOM 970 OD1 ASN A 83 1.921 -5.181 25.238 1.00 0.00 O flip ATOM 971 ND2 ASN A 83 -0.041 -4.279 25.648 1.00 0.00 N flip ATOM 0 H ASN A 83 0.090 -7.630 24.856 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.912 -5.602 24.276 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.873 -6.145 23.123 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.056 -4.677 22.892 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -1.008 -4.091 25.383 1.00 0.00 H new ATOM 0 HD22 ASN A 83 0.326 -3.920 26.530 1.00 0.00 H new ATOM 978 N GLN A 84 -1.052 -7.905 22.093 1.00 0.00 N ATOM 979 CA GLN A 84 -1.418 -8.556 20.839 1.00 0.00 C ATOM 980 C GLN A 84 -2.824 -9.097 20.879 1.00 0.00 C ATOM 981 O GLN A 84 -3.653 -8.761 20.040 1.00 0.00 O ATOM 982 CB GLN A 84 -0.465 -9.719 20.604 1.00 0.00 C ATOM 983 CG GLN A 84 0.919 -9.194 20.234 1.00 0.00 C ATOM 984 CD GLN A 84 1.231 -7.877 20.949 1.00 0.00 C ATOM 985 OE1 GLN A 84 2.163 -7.862 21.863 1.00 0.00 O flip ATOM 986 NE2 GLN A 84 0.585 -6.856 20.709 1.00 0.00 N flip ATOM 0 H GLN A 84 -0.269 -8.345 22.577 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.357 -7.817 20.040 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.401 -10.335 21.501 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.846 -10.357 19.806 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.672 -9.937 20.494 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.976 -9.046 19.156 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.143 -6.869 19.995 1.00 0.00 H new ATOM 0 HE22 GLN A 84 0.778 -5.997 21.225 1.00 0.00 H new ATOM 995 N ILE A 85 -3.092 -9.927 21.863 1.00 0.00 N ATOM 996 CA ILE A 85 -4.407 -10.501 21.995 1.00 0.00 C ATOM 997 C ILE A 85 -5.431 -9.375 22.157 1.00 0.00 C ATOM 998 O ILE A 85 -6.497 -9.406 21.540 1.00 0.00 O ATOM 999 CB ILE A 85 -4.434 -11.455 23.181 1.00 0.00 C ATOM 1000 CG1 ILE A 85 -3.586 -12.694 22.860 1.00 0.00 C ATOM 1001 CG2 ILE A 85 -5.873 -11.873 23.452 1.00 0.00 C ATOM 1002 CD1 ILE A 85 -3.390 -13.518 24.132 1.00 0.00 C ATOM 0 H ILE A 85 -2.422 -10.216 22.576 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.661 -11.072 21.102 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.026 -10.960 24.062 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.077 -13.296 22.095 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.619 -12.392 22.456 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.900 -12.557 24.301 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.472 -10.991 23.678 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.279 -12.371 22.572 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.788 -14.398 23.906 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.881 -12.913 24.882 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.361 -13.831 24.516 1.00 0.00 H new ATOM 1014 N ILE A 86 -5.080 -8.356 22.952 1.00 0.00 N ATOM 1015 CA ILE A 86 -5.961 -7.195 23.142 1.00 0.00 C ATOM 1016 C ILE A 86 -6.242 -6.515 21.810 1.00 0.00 C ATOM 1017 O ILE A 86 -7.381 -6.174 21.507 1.00 0.00 O ATOM 1018 CB ILE A 86 -5.306 -6.177 24.127 1.00 0.00 C ATOM 1019 CG1 ILE A 86 -5.766 -6.454 25.581 1.00 0.00 C ATOM 1020 CG2 ILE A 86 -5.603 -4.714 23.731 1.00 0.00 C ATOM 1021 CD1 ILE A 86 -5.595 -5.192 26.452 1.00 0.00 C ATOM 0 H ILE A 86 -4.202 -8.311 23.469 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.903 -7.544 23.564 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.226 -6.315 24.067 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.810 -6.767 25.585 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.186 -7.275 26.002 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.128 -4.040 24.444 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.211 -4.521 22.732 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.680 -4.547 23.737 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.923 -5.405 27.469 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.546 -4.897 26.463 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.195 -4.381 26.040 1.00 0.00 H new ATOM 1033 N SER A 87 -5.203 -6.283 21.029 1.00 0.00 N ATOM 1034 CA SER A 87 -5.392 -5.607 19.762 1.00 0.00 C ATOM 1035 C SER A 87 -6.388 -6.370 18.905 1.00 0.00 C ATOM 1036 O SER A 87 -7.256 -5.775 18.264 1.00 0.00 O ATOM 1037 CB SER A 87 -4.061 -5.473 19.031 1.00 0.00 C ATOM 1038 OG SER A 87 -4.302 -5.085 17.686 1.00 0.00 O ATOM 0 H SER A 87 -4.241 -6.546 21.244 1.00 0.00 H new ATOM 0 HA SER A 87 -5.786 -4.609 19.953 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.433 -4.734 19.528 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.521 -6.420 19.058 1.00 0.00 H new ATOM 0 HG SER A 87 -3.448 -4.996 17.213 1.00 0.00 H new ATOM 1044 N ILE A 88 -6.266 -7.687 18.895 1.00 0.00 N ATOM 1045 CA ILE A 88 -7.169 -8.503 18.108 1.00 0.00 C ATOM 1046 C ILE A 88 -8.615 -8.312 18.560 1.00 0.00 C ATOM 1047 O ILE A 88 -9.549 -8.587 17.800 1.00 0.00 O ATOM 1048 CB ILE A 88 -6.804 -9.973 18.225 1.00 0.00 C ATOM 1049 CG1 ILE A 88 -5.368 -10.175 17.750 1.00 0.00 C ATOM 1050 CG2 ILE A 88 -7.742 -10.783 17.335 1.00 0.00 C ATOM 1051 CD1 ILE A 88 -4.913 -11.596 18.083 1.00 0.00 C ATOM 0 H ILE A 88 -5.560 -8.207 19.416 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.074 -8.186 17.069 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.896 -10.298 19.261 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.302 -10.004 16.676 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.710 -9.450 18.229 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.491 -11.841 17.409 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.772 -10.631 17.658 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.634 -10.457 16.301 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.887 -11.739 17.743 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.963 -11.751 19.161 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.564 -12.313 17.583 1.00 0.00 H new ATOM 1063 N MET A 89 -8.801 -7.858 19.801 1.00 0.00 N ATOM 1064 CA MET A 89 -10.150 -7.653 20.325 1.00 0.00 C ATOM 1065 C MET A 89 -10.763 -6.382 19.764 1.00 0.00 C ATOM 1066 O MET A 89 -11.927 -6.368 19.360 1.00 0.00 O ATOM 1067 CB MET A 89 -10.134 -7.566 21.854 1.00 0.00 C ATOM 1068 CG MET A 89 -9.693 -8.907 22.439 1.00 0.00 C ATOM 1069 SD MET A 89 -10.935 -10.167 22.049 1.00 0.00 S ATOM 1070 CE MET A 89 -12.239 -9.547 23.144 1.00 0.00 C ATOM 0 H MET A 89 -8.049 -7.629 20.451 1.00 0.00 H new ATOM 0 HA MET A 89 -10.751 -8.509 20.018 1.00 0.00 H new ATOM 0 HB2 MET A 89 -9.455 -6.776 22.176 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.125 -7.305 22.224 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.725 -9.195 22.029 1.00 0.00 H new ATOM 0 HG3 MET A 89 -9.570 -8.823 23.519 1.00 0.00 H new ATOM 0 HE1 MET A 89 -12.877 -10.374 23.455 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.788 -9.086 24.023 1.00 0.00 H new ATOM 0 HE3 MET A 89 -12.838 -8.807 22.614 1.00 0.00 H new ATOM 1080 N ARG A 90 -9.974 -5.313 19.752 1.00 0.00 N ATOM 1081 CA ARG A 90 -10.451 -4.029 19.255 1.00 0.00 C ATOM 1082 C ARG A 90 -10.983 -4.179 17.836 1.00 0.00 C ATOM 1083 O ARG A 90 -12.048 -3.662 17.505 1.00 0.00 O ATOM 1084 CB ARG A 90 -9.311 -3.006 19.260 1.00 0.00 C ATOM 1085 CG ARG A 90 -9.863 -1.613 18.943 1.00 0.00 C ATOM 1086 CD ARG A 90 -8.699 -0.638 18.749 1.00 0.00 C ATOM 1087 NE ARG A 90 -7.997 -0.959 17.510 1.00 0.00 N ATOM 1088 CZ ARG A 90 -6.689 -0.761 17.373 1.00 0.00 C ATOM 1089 NH1 ARG A 90 -6.096 -1.069 16.253 1.00 0.00 N ATOM 1090 NH2 ARG A 90 -5.998 -0.260 18.361 1.00 0.00 N ATOM 0 H ARG A 90 -9.008 -5.310 20.079 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.253 -3.683 19.907 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.820 -3.000 20.233 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.557 -3.285 18.524 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.476 -1.649 18.042 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.507 -1.272 19.754 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.070 0.386 18.714 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.014 -0.700 19.594 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.524 -1.346 16.727 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.635 -1.462 15.482 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.093 -0.917 16.148 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.461 -0.021 19.238 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.995 -0.108 18.256 1.00 0.00 H new ATOM 1104 N VAL A 91 -10.240 -4.893 17.005 1.00 0.00 N ATOM 1105 CA VAL A 91 -10.651 -5.107 15.629 1.00 0.00 C ATOM 1106 C VAL A 91 -11.909 -5.975 15.571 1.00 0.00 C ATOM 1107 O VAL A 91 -12.797 -5.740 14.752 1.00 0.00 O ATOM 1108 CB VAL A 91 -9.511 -5.768 14.856 1.00 0.00 C ATOM 1109 CG1 VAL A 91 -8.290 -4.815 14.833 1.00 0.00 C ATOM 1110 CG2 VAL A 91 -9.141 -7.090 15.553 1.00 0.00 C ATOM 0 H VAL A 91 -9.355 -5.331 17.258 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.884 -4.145 15.173 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.818 -5.974 13.830 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.474 -5.283 14.282 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.567 -3.880 14.346 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.968 -4.611 15.854 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.328 -7.572 15.011 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.824 -6.886 16.576 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -10.009 -7.749 15.567 1.00 0.00 H new ATOM 1120 N TYR A 92 -11.983 -6.974 16.448 1.00 0.00 N ATOM 1121 CA TYR A 92 -13.140 -7.855 16.479 1.00 0.00 C ATOM 1122 C TYR A 92 -14.385 -7.044 16.805 1.00 0.00 C ATOM 1123 O TYR A 92 -15.411 -7.175 16.143 1.00 0.00 O ATOM 1124 CB TYR A 92 -12.939 -8.969 17.517 1.00 0.00 C ATOM 1125 CG TYR A 92 -14.205 -9.789 17.639 1.00 0.00 C ATOM 1126 CD1 TYR A 92 -14.543 -10.718 16.647 1.00 0.00 C ATOM 1127 CD2 TYR A 92 -15.042 -9.612 18.747 1.00 0.00 C ATOM 1128 CE1 TYR A 92 -15.719 -11.469 16.764 1.00 0.00 C ATOM 1129 CE2 TYR A 92 -16.218 -10.362 18.863 1.00 0.00 C ATOM 1130 CZ TYR A 92 -16.556 -11.291 17.873 1.00 0.00 C ATOM 1131 OH TYR A 92 -17.715 -12.034 17.987 1.00 0.00 O ATOM 0 H TYR A 92 -11.263 -7.189 17.138 1.00 0.00 H new ATOM 0 HA TYR A 92 -13.261 -8.320 15.501 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -12.107 -9.609 17.221 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -12.680 -8.536 18.483 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -13.897 -10.855 15.792 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -14.780 -8.897 19.513 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -15.981 -12.185 15.999 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -16.865 -10.224 19.717 1.00 0.00 H new ATOM 0 HH TYR A 92 -18.180 -11.790 18.814 1.00 0.00 H new ATOM 1141 N GLU A 93 -14.283 -6.195 17.821 1.00 0.00 N ATOM 1142 CA GLU A 93 -15.410 -5.358 18.221 1.00 0.00 C ATOM 1143 C GLU A 93 -15.729 -4.314 17.148 1.00 0.00 C ATOM 1144 O GLU A 93 -16.895 -4.021 16.889 1.00 0.00 O ATOM 1145 CB GLU A 93 -15.093 -4.665 19.548 1.00 0.00 C ATOM 1146 CG GLU A 93 -14.940 -5.721 20.646 1.00 0.00 C ATOM 1147 CD GLU A 93 -16.261 -6.454 20.854 1.00 0.00 C ATOM 1148 OE1 GLU A 93 -17.281 -5.923 20.449 1.00 0.00 O ATOM 1149 OE2 GLU A 93 -16.231 -7.538 21.414 1.00 0.00 O ATOM 0 H GLU A 93 -13.439 -6.068 18.380 1.00 0.00 H new ATOM 0 HA GLU A 93 -16.285 -5.996 18.343 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -14.176 -4.082 19.457 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.890 -3.967 19.807 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.160 -6.431 20.372 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.627 -5.247 21.576 1.00 0.00 H new ATOM 1156 N GLN A 94 -14.690 -3.752 16.528 1.00 0.00 N ATOM 1157 CA GLN A 94 -14.886 -2.742 15.486 1.00 0.00 C ATOM 1158 C GLN A 94 -15.612 -3.321 14.276 1.00 0.00 C ATOM 1159 O GLN A 94 -16.620 -2.778 13.827 1.00 0.00 O ATOM 1160 CB GLN A 94 -13.534 -2.179 15.044 1.00 0.00 C ATOM 1161 CG GLN A 94 -13.024 -1.184 16.088 1.00 0.00 C ATOM 1162 CD GLN A 94 -11.611 -0.736 15.733 1.00 0.00 C ATOM 1163 OE1 GLN A 94 -11.068 -1.147 14.707 1.00 0.00 O ATOM 1164 NE2 GLN A 94 -10.976 0.083 16.527 1.00 0.00 N ATOM 0 H GLN A 94 -13.715 -3.975 16.726 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.501 -1.946 15.907 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -12.816 -2.989 14.918 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -13.633 -1.687 14.076 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -13.688 -0.320 16.134 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -13.031 -1.645 17.076 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -11.427 0.422 17.376 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.029 0.383 16.298 1.00 0.00 H new ATOM 1173 N ARG A 95 -15.094 -4.424 13.749 1.00 0.00 N ATOM 1174 CA ARG A 95 -15.706 -5.058 12.591 1.00 0.00 C ATOM 1175 C ARG A 95 -17.049 -5.678 12.977 1.00 0.00 C ATOM 1176 O ARG A 95 -17.883 -5.965 12.119 1.00 0.00 O ATOM 1177 CB ARG A 95 -14.760 -6.116 12.007 1.00 0.00 C ATOM 1178 CG ARG A 95 -15.257 -6.548 10.626 1.00 0.00 C ATOM 1179 CD ARG A 95 -14.307 -7.601 10.040 1.00 0.00 C ATOM 1180 NE ARG A 95 -13.007 -7.008 9.738 1.00 0.00 N ATOM 1181 CZ ARG A 95 -12.787 -6.391 8.582 1.00 0.00 C ATOM 1182 NH1 ARG A 95 -11.619 -5.869 8.332 1.00 0.00 N ATOM 1183 NH2 ARG A 95 -13.741 -6.309 7.696 1.00 0.00 N ATOM 0 H ARG A 95 -14.260 -4.893 14.102 1.00 0.00 H new ATOM 0 HA ARG A 95 -15.888 -4.303 11.826 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -13.750 -5.712 11.931 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -14.709 -6.978 12.672 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -16.265 -6.956 10.703 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -15.312 -5.685 9.963 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -14.183 -8.421 10.747 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -14.739 -8.024 9.133 1.00 0.00 H new ATOM 0 HE ARG A 95 -12.256 -7.068 10.425 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.873 -5.934 9.024 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.451 -5.396 7.444 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -14.655 -6.718 7.891 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.573 -5.836 6.808 1.00 0.00 H new ATOM 1197 N LEU A 96 -17.250 -5.870 14.282 1.00 0.00 N ATOM 1198 CA LEU A 96 -18.498 -6.439 14.791 1.00 0.00 C ATOM 1199 C LEU A 96 -19.654 -5.442 14.680 1.00 0.00 C ATOM 1200 O LEU A 96 -20.785 -5.823 14.381 1.00 0.00 O ATOM 1201 CB LEU A 96 -18.325 -6.877 16.249 1.00 0.00 C ATOM 1202 CG LEU A 96 -19.650 -7.403 16.797 1.00 0.00 C ATOM 1203 CD1 LEU A 96 -20.172 -8.523 15.893 1.00 0.00 C ATOM 1204 CD2 LEU A 96 -19.419 -7.955 18.205 1.00 0.00 C ATOM 0 H LEU A 96 -16.566 -5.640 15.003 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.741 -7.308 14.179 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.561 -7.651 16.316 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -17.981 -6.036 16.852 1.00 0.00 H new ATOM 0 HG LEU A 96 -20.382 -6.596 16.828 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -21.117 -8.897 16.286 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -20.325 -8.136 14.886 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -19.445 -9.335 15.863 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -20.359 -8.333 18.606 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -18.690 -8.764 18.163 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -19.043 -7.161 18.850 1.00 0.00 H new ATOM 1216 N ALA A 97 -19.369 -4.168 14.942 1.00 0.00 N ATOM 1217 CA ALA A 97 -20.402 -3.136 14.884 1.00 0.00 C ATOM 1218 C ALA A 97 -20.642 -2.678 13.449 1.00 0.00 C ATOM 1219 O ALA A 97 -21.738 -2.234 13.103 1.00 0.00 O ATOM 1220 CB ALA A 97 -19.983 -1.937 15.737 1.00 0.00 C ATOM 0 H ALA A 97 -18.441 -3.828 15.194 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.328 -3.561 15.271 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -20.756 -1.170 15.691 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -19.849 -2.255 16.771 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -19.045 -1.531 15.358 1.00 0.00 H new ATOM 1226 N HIS A 98 -19.614 -2.786 12.616 1.00 0.00 N ATOM 1227 CA HIS A 98 -19.731 -2.378 11.222 1.00 0.00 C ATOM 1228 C HIS A 98 -20.314 -3.506 10.378 1.00 0.00 C ATOM 1229 O HIS A 98 -19.876 -4.653 10.469 1.00 0.00 O ATOM 1230 CB HIS A 98 -18.357 -1.991 10.679 1.00 0.00 C ATOM 1231 CG HIS A 98 -17.866 -0.759 11.388 1.00 0.00 C ATOM 1232 ND1 HIS A 98 -17.166 -0.823 12.583 1.00 0.00 N ATOM 1233 CD2 HIS A 98 -17.963 0.575 11.083 1.00 0.00 C ATOM 1234 CE1 HIS A 98 -16.872 0.437 12.949 1.00 0.00 C ATOM 1235 NE2 HIS A 98 -17.336 1.329 12.069 1.00 0.00 N ATOM 0 H HIS A 98 -18.698 -3.149 12.878 1.00 0.00 H new ATOM 0 HA HIS A 98 -20.400 -1.519 11.169 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -17.653 -2.811 10.823 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -18.417 -1.807 9.606 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -16.919 -1.672 13.092 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -18.452 0.979 10.209 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -16.327 0.696 13.845 1.00 0.00 H new ATOM 1343 N THR A 105 -18.273 -13.304 2.210 1.00 0.00 N ATOM 1344 CA THR A 105 -17.608 -13.718 3.440 1.00 0.00 C ATOM 1345 C THR A 105 -16.448 -14.659 3.126 1.00 0.00 C ATOM 1346 O THR A 105 -16.316 -15.137 2.000 1.00 0.00 O ATOM 1347 CB THR A 105 -18.606 -14.423 4.363 1.00 0.00 C ATOM 1348 OG1 THR A 105 -19.070 -15.611 3.737 1.00 0.00 O ATOM 1349 CG2 THR A 105 -19.787 -13.493 4.641 1.00 0.00 C ATOM 0 HA THR A 105 -17.219 -12.831 3.940 1.00 0.00 H new ATOM 0 HB THR A 105 -18.117 -14.677 5.304 1.00 0.00 H new ATOM 0 HG1 THR A 105 -19.034 -15.503 2.764 1.00 0.00 H new ATOM 0 HG21 THR A 105 -20.498 -13.994 5.298 1.00 0.00 H new ATOM 0 HG22 THR A 105 -19.428 -12.583 5.122 1.00 0.00 H new ATOM 0 HG23 THR A 105 -20.278 -13.238 3.702 1.00 0.00 H new ATOM 1357 N THR A 106 -15.609 -14.922 4.125 1.00 0.00 N ATOM 1358 CA THR A 106 -14.463 -15.810 3.936 1.00 0.00 C ATOM 1359 C THR A 106 -14.363 -16.809 5.092 1.00 0.00 C ATOM 1360 O THR A 106 -14.881 -16.562 6.182 1.00 0.00 O ATOM 1361 CB THR A 106 -13.168 -14.981 3.849 1.00 0.00 C ATOM 1362 OG1 THR A 106 -13.373 -13.727 4.479 1.00 0.00 O ATOM 1363 CG2 THR A 106 -12.785 -14.751 2.386 1.00 0.00 C ATOM 0 H THR A 106 -15.699 -14.537 5.065 1.00 0.00 H new ATOM 0 HA THR A 106 -14.600 -16.363 3.007 1.00 0.00 H new ATOM 0 HB THR A 106 -12.364 -15.523 4.347 1.00 0.00 H new ATOM 0 HG1 THR A 106 -14.228 -13.349 4.185 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.868 -14.164 2.338 1.00 0.00 H new ATOM 0 HG22 THR A 106 -12.627 -15.712 1.896 1.00 0.00 H new ATOM 0 HG23 THR A 106 -13.587 -14.213 1.880 1.00 0.00 H new ATOM 1371 N PRO A 107 -13.712 -17.924 4.872 1.00 0.00 N ATOM 1372 CA PRO A 107 -13.543 -18.973 5.918 1.00 0.00 C ATOM 1373 C PRO A 107 -12.541 -18.563 6.998 1.00 0.00 C ATOM 1374 O PRO A 107 -12.721 -18.883 8.173 1.00 0.00 O ATOM 1375 CB PRO A 107 -13.030 -20.186 5.137 1.00 0.00 C ATOM 1376 CG PRO A 107 -12.362 -19.624 3.926 1.00 0.00 C ATOM 1377 CD PRO A 107 -13.069 -18.305 3.605 1.00 0.00 C ATOM 0 HA PRO A 107 -14.473 -19.163 6.454 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -12.332 -20.772 5.735 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -13.849 -20.851 4.861 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -11.301 -19.459 4.111 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -12.435 -20.316 3.087 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -12.362 -17.545 3.272 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -13.802 -18.429 2.808 1.00 0.00 H new ATOM 1385 N GLU A 108 -11.484 -17.857 6.592 1.00 0.00 N ATOM 1386 CA GLU A 108 -10.462 -17.420 7.540 1.00 0.00 C ATOM 1387 C GLU A 108 -11.013 -16.356 8.481 1.00 0.00 C ATOM 1388 O GLU A 108 -10.823 -16.433 9.695 1.00 0.00 O ATOM 1389 CB GLU A 108 -9.251 -16.849 6.801 1.00 0.00 C ATOM 1390 CG GLU A 108 -8.565 -17.951 5.991 1.00 0.00 C ATOM 1391 CD GLU A 108 -9.225 -18.084 4.623 1.00 0.00 C ATOM 1392 OE1 GLU A 108 -10.215 -17.409 4.395 1.00 0.00 O ATOM 1393 OE2 GLU A 108 -8.729 -18.860 3.824 1.00 0.00 O ATOM 0 H GLU A 108 -11.316 -17.579 5.625 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.158 -18.291 8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.566 -16.042 6.139 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.548 -16.420 7.515 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.506 -17.720 5.872 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -8.626 -18.898 6.527 1.00 0.00 H new ATOM 1400 N GLU A 109 -11.697 -15.365 7.916 1.00 0.00 N ATOM 1401 CA GLU A 109 -12.262 -14.294 8.728 1.00 0.00 C ATOM 1402 C GLU A 109 -13.339 -14.858 9.648 1.00 0.00 C ATOM 1403 O GLU A 109 -13.476 -14.433 10.795 1.00 0.00 O ATOM 1404 CB GLU A 109 -12.849 -13.184 7.832 1.00 0.00 C ATOM 1405 CG GLU A 109 -14.144 -13.660 7.163 1.00 0.00 C ATOM 1406 CD GLU A 109 -14.727 -12.555 6.286 1.00 0.00 C ATOM 1407 OE1 GLU A 109 -14.562 -11.395 6.627 1.00 0.00 O ATOM 1408 OE2 GLU A 109 -15.359 -12.891 5.297 1.00 0.00 O ATOM 0 H GLU A 109 -11.871 -15.282 6.914 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.468 -13.857 9.334 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -13.047 -12.294 8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.122 -12.901 7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -13.945 -14.545 6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -14.869 -13.950 7.924 1.00 0.00 H new ATOM 1415 N ASP A 110 -14.095 -15.821 9.134 1.00 0.00 N ATOM 1416 CA ASP A 110 -15.160 -16.445 9.910 1.00 0.00 C ATOM 1417 C ASP A 110 -14.605 -17.169 11.138 1.00 0.00 C ATOM 1418 O ASP A 110 -15.146 -17.047 12.236 1.00 0.00 O ATOM 1419 CB ASP A 110 -15.912 -17.448 9.036 1.00 0.00 C ATOM 1420 CG ASP A 110 -16.753 -16.710 8.001 1.00 0.00 C ATOM 1421 OD1 ASP A 110 -16.933 -15.513 8.157 1.00 0.00 O ATOM 1422 OD2 ASP A 110 -17.204 -17.351 7.066 1.00 0.00 O ATOM 0 H ASP A 110 -13.991 -16.186 8.187 1.00 0.00 H new ATOM 0 HA ASP A 110 -15.834 -15.658 10.248 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -15.204 -18.110 8.537 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -16.552 -18.075 9.656 1.00 0.00 H new ATOM 1427 N GLU A 111 -13.530 -17.929 10.944 1.00 0.00 N ATOM 1428 CA GLU A 111 -12.923 -18.678 12.044 1.00 0.00 C ATOM 1429 C GLU A 111 -12.415 -17.741 13.132 1.00 0.00 C ATOM 1430 O GLU A 111 -12.628 -17.980 14.321 1.00 0.00 O ATOM 1431 CB GLU A 111 -11.753 -19.509 11.526 1.00 0.00 C ATOM 1432 CG GLU A 111 -11.156 -20.321 12.678 1.00 0.00 C ATOM 1433 CD GLU A 111 -10.000 -21.173 12.171 1.00 0.00 C ATOM 1434 OE1 GLU A 111 -9.563 -20.942 11.055 1.00 0.00 O ATOM 1435 OE2 GLU A 111 -9.564 -22.043 12.907 1.00 0.00 O ATOM 0 H GLU A 111 -13.064 -18.043 10.044 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.689 -19.329 12.466 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.090 -20.176 10.733 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.993 -18.858 11.094 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.807 -19.651 13.464 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.922 -20.958 13.120 1.00 0.00 H new ATOM 1442 N LEU A 112 -11.736 -16.681 12.717 1.00 0.00 N ATOM 1443 CA LEU A 112 -11.196 -15.721 13.666 1.00 0.00 C ATOM 1444 C LEU A 112 -12.321 -15.107 14.479 1.00 0.00 C ATOM 1445 O LEU A 112 -12.202 -14.929 15.690 1.00 0.00 O ATOM 1446 CB LEU A 112 -10.444 -14.617 12.916 1.00 0.00 C ATOM 1447 CG LEU A 112 -9.921 -13.577 13.911 1.00 0.00 C ATOM 1448 CD1 LEU A 112 -8.999 -14.251 14.931 1.00 0.00 C ATOM 1449 CD2 LEU A 112 -9.146 -12.498 13.152 1.00 0.00 C ATOM 0 H LEU A 112 -11.548 -16.466 11.738 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.508 -16.235 14.337 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.614 -15.046 12.355 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -11.106 -14.141 12.192 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.761 -13.123 14.436 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.630 -13.506 15.636 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.553 -15.019 15.471 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.156 -14.709 14.413 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.772 -11.755 13.857 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.307 -12.954 12.626 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.806 -12.015 12.432 1.00 0.00 H new ATOM 1461 N ASP A 113 -13.421 -14.797 13.808 1.00 0.00 N ATOM 1462 CA ASP A 113 -14.564 -14.206 14.483 1.00 0.00 C ATOM 1463 C ASP A 113 -15.103 -15.163 15.546 1.00 0.00 C ATOM 1464 O ASP A 113 -15.435 -14.745 16.655 1.00 0.00 O ATOM 1465 CB ASP A 113 -15.665 -13.892 13.465 1.00 0.00 C ATOM 1466 CG ASP A 113 -15.421 -12.531 12.816 1.00 0.00 C ATOM 1467 OD1 ASP A 113 -14.503 -11.848 13.237 1.00 0.00 O ATOM 1468 OD2 ASP A 113 -16.161 -12.192 11.907 1.00 0.00 O ATOM 0 H ASP A 113 -13.545 -14.944 12.806 1.00 0.00 H new ATOM 0 HA ASP A 113 -14.246 -13.282 14.967 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -15.692 -14.667 12.699 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -16.637 -13.897 13.958 1.00 0.00 H new ATOM 1473 N GLN A 114 -15.195 -16.445 15.199 1.00 0.00 N ATOM 1474 CA GLN A 114 -15.697 -17.449 16.136 1.00 0.00 C ATOM 1475 C GLN A 114 -14.777 -17.586 17.340 1.00 0.00 C ATOM 1476 O GLN A 114 -15.237 -17.698 18.477 1.00 0.00 O ATOM 1477 CB GLN A 114 -15.801 -18.806 15.441 1.00 0.00 C ATOM 1478 CG GLN A 114 -16.910 -18.763 14.392 1.00 0.00 C ATOM 1479 CD GLN A 114 -16.973 -20.095 13.654 1.00 0.00 C ATOM 1480 OE1 GLN A 114 -17.628 -21.030 14.115 1.00 0.00 O ATOM 1481 NE2 GLN A 114 -16.331 -20.237 12.528 1.00 0.00 N ATOM 0 H GLN A 114 -14.931 -16.811 14.284 1.00 0.00 H new ATOM 0 HA GLN A 114 -16.680 -17.123 16.476 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.851 -19.058 14.970 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -16.010 -19.586 16.174 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -17.868 -18.556 14.870 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -16.724 -17.954 13.686 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -15.789 -19.461 12.148 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -16.371 -21.124 12.027 1.00 0.00 H new ATOM 1490 N LEU A 115 -13.477 -17.586 17.082 1.00 0.00 N ATOM 1491 CA LEU A 115 -12.497 -17.718 18.149 1.00 0.00 C ATOM 1492 C LEU A 115 -12.597 -16.532 19.100 1.00 0.00 C ATOM 1493 O LEU A 115 -12.521 -16.688 20.318 1.00 0.00 O ATOM 1494 CB LEU A 115 -11.090 -17.781 17.555 1.00 0.00 C ATOM 1495 CG LEU A 115 -10.910 -19.089 16.778 1.00 0.00 C ATOM 1496 CD1 LEU A 115 -9.629 -19.004 15.949 1.00 0.00 C ATOM 1497 CD2 LEU A 115 -10.807 -20.273 17.749 1.00 0.00 C ATOM 0 H LEU A 115 -13.078 -17.496 16.147 1.00 0.00 H new ATOM 0 HA LEU A 115 -12.698 -18.636 18.701 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.926 -16.930 16.894 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.347 -17.715 18.350 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.770 -19.240 16.126 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.493 -19.931 15.393 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -9.702 -18.170 15.251 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.777 -18.850 16.611 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.679 -21.197 17.184 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -9.951 -20.129 18.408 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.718 -20.335 18.345 1.00 0.00 H new ATOM 1509 N CYS A 116 -12.768 -15.344 18.528 1.00 0.00 N ATOM 1510 CA CYS A 116 -12.882 -14.133 19.329 1.00 0.00 C ATOM 1511 C CYS A 116 -14.131 -14.189 20.200 1.00 0.00 C ATOM 1512 O CYS A 116 -14.110 -13.779 21.360 1.00 0.00 O ATOM 1513 CB CYS A 116 -12.949 -12.907 18.416 1.00 0.00 C ATOM 1514 SG CYS A 116 -11.376 -12.717 17.541 1.00 0.00 S ATOM 0 H CYS A 116 -12.830 -15.196 17.521 1.00 0.00 H new ATOM 0 HA CYS A 116 -12.005 -14.058 19.972 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -13.764 -13.018 17.701 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -13.160 -12.014 19.004 1.00 0.00 H new ATOM 0 HG CYS A 116 -11.325 -13.560 16.553 1.00 0.00 H new ATOM 1520 N ASP A 117 -15.220 -14.698 19.630 1.00 0.00 N ATOM 1521 CA ASP A 117 -16.475 -14.801 20.364 1.00 0.00 C ATOM 1522 C ASP A 117 -16.322 -15.723 21.568 1.00 0.00 C ATOM 1523 O ASP A 117 -16.794 -15.413 22.663 1.00 0.00 O ATOM 1524 CB ASP A 117 -17.575 -15.345 19.449 1.00 0.00 C ATOM 1525 CG ASP A 117 -18.882 -15.469 20.224 1.00 0.00 C ATOM 1526 OD1 ASP A 117 -19.383 -14.450 20.669 1.00 0.00 O ATOM 1527 OD2 ASP A 117 -19.363 -16.582 20.360 1.00 0.00 O ATOM 0 H ASP A 117 -15.258 -15.042 18.671 1.00 0.00 H new ATOM 0 HA ASP A 117 -16.747 -13.805 20.713 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -17.710 -14.682 18.595 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -17.283 -16.318 19.054 1.00 0.00 H new ATOM 1532 N GLU A 118 -15.665 -16.857 21.361 1.00 0.00 N ATOM 1533 CA GLU A 118 -15.464 -17.815 22.439 1.00 0.00 C ATOM 1534 C GLU A 118 -14.582 -17.215 23.528 1.00 0.00 C ATOM 1535 O GLU A 118 -14.880 -17.335 24.716 1.00 0.00 O ATOM 1536 CB GLU A 118 -14.831 -19.091 21.881 1.00 0.00 C ATOM 1537 CG GLU A 118 -14.739 -20.147 22.983 1.00 0.00 C ATOM 1538 CD GLU A 118 -14.463 -21.515 22.368 1.00 0.00 C ATOM 1539 OE1 GLU A 118 -14.319 -21.581 21.158 1.00 0.00 O ATOM 1540 OE2 GLU A 118 -14.413 -22.479 23.113 1.00 0.00 O ATOM 0 H GLU A 118 -15.265 -17.134 20.464 1.00 0.00 H new ATOM 0 HA GLU A 118 -16.430 -18.061 22.881 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -15.426 -19.470 21.050 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -13.838 -18.874 21.489 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -13.945 -19.886 23.683 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -15.669 -20.175 23.551 1.00 0.00 H new ATOM 1547 N TRP A 119 -13.505 -16.557 23.115 1.00 0.00 N ATOM 1548 CA TRP A 119 -12.597 -15.928 24.066 1.00 0.00 C ATOM 1549 C TRP A 119 -13.310 -14.805 24.813 1.00 0.00 C ATOM 1550 O TRP A 119 -13.125 -14.630 26.018 1.00 0.00 O ATOM 1551 CB TRP A 119 -11.377 -15.368 23.333 1.00 0.00 C ATOM 1552 CG TRP A 119 -10.573 -14.530 24.275 1.00 0.00 C ATOM 1553 CD1 TRP A 119 -10.470 -13.182 24.229 1.00 0.00 C ATOM 1554 CD2 TRP A 119 -9.756 -14.964 25.400 1.00 0.00 C ATOM 1555 NE1 TRP A 119 -9.641 -12.761 25.254 1.00 0.00 N ATOM 1556 CE2 TRP A 119 -9.176 -13.823 26.003 1.00 0.00 C ATOM 1557 CE3 TRP A 119 -9.463 -16.226 25.951 1.00 0.00 C ATOM 1558 CZ2 TRP A 119 -8.337 -13.929 27.113 1.00 0.00 C ATOM 1559 CZ3 TRP A 119 -8.619 -16.335 27.068 1.00 0.00 C ATOM 1560 CH2 TRP A 119 -8.056 -15.190 27.647 1.00 0.00 C ATOM 0 H TRP A 119 -13.241 -16.446 22.136 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.269 -16.679 24.785 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -10.767 -16.183 22.943 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -11.695 -14.771 22.478 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -10.956 -12.539 23.510 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -9.403 -11.786 25.434 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -9.890 -17.116 25.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -7.908 -13.043 27.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -8.402 -17.308 27.484 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -7.406 -15.282 28.505 1.00 0.00 H new ATOM 1571 N LYS A 120 -14.120 -14.041 24.085 1.00 0.00 N ATOM 1572 CA LYS A 120 -14.855 -12.931 24.682 1.00 0.00 C ATOM 1573 C LYS A 120 -15.812 -13.443 25.754 1.00 0.00 C ATOM 1574 O LYS A 120 -15.978 -12.816 26.801 1.00 0.00 O ATOM 1575 CB LYS A 120 -15.641 -12.181 23.602 1.00 0.00 C ATOM 1576 CG LYS A 120 -16.306 -10.944 24.215 1.00 0.00 C ATOM 1577 CD LYS A 120 -17.044 -10.165 23.122 1.00 0.00 C ATOM 1578 CE LYS A 120 -17.691 -8.920 23.731 1.00 0.00 C ATOM 1579 NZ LYS A 120 -18.396 -8.152 22.664 1.00 0.00 N ATOM 0 H LYS A 120 -14.283 -14.169 23.086 1.00 0.00 H new ATOM 0 HA LYS A 120 -14.140 -12.250 25.144 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -14.974 -11.884 22.793 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -16.397 -12.835 23.168 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -17.004 -11.243 24.997 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -15.554 -10.309 24.684 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -16.349 -9.878 22.333 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -17.805 -10.795 22.662 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -18.395 -9.208 24.512 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -16.931 -8.296 24.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -18.719 -7.241 23.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -17.745 -7.982 21.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -19.216 -8.697 22.328 1.00 0.00 H new ATOM 1593 N ALA A 121 -16.440 -14.586 25.486 1.00 0.00 N ATOM 1594 CA ALA A 121 -17.380 -15.170 26.439 1.00 0.00 C ATOM 1595 C ALA A 121 -16.667 -15.542 27.740 1.00 0.00 C ATOM 1596 O ALA A 121 -17.187 -15.292 28.829 1.00 0.00 O ATOM 1597 CB ALA A 121 -18.024 -16.421 25.841 1.00 0.00 C ATOM 0 H ALA A 121 -16.317 -15.121 24.626 1.00 0.00 H new ATOM 0 HA ALA A 121 -18.150 -14.430 26.655 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -18.723 -16.849 26.559 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -18.558 -16.155 24.929 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -17.250 -17.152 25.608 1.00 0.00 H new ATOM 1603 N ARG A 122 -15.471 -16.127 27.620 1.00 0.00 N ATOM 1604 CA ARG A 122 -14.700 -16.511 28.802 1.00 0.00 C ATOM 1605 C ARG A 122 -14.406 -15.276 29.635 1.00 0.00 C ATOM 1606 O ARG A 122 -14.572 -15.285 30.854 1.00 0.00 O ATOM 1607 CB ARG A 122 -13.375 -17.229 28.386 1.00 0.00 C ATOM 1608 CG ARG A 122 -12.162 -16.728 29.236 1.00 0.00 C ATOM 1609 CD ARG A 122 -11.140 -17.837 29.518 1.00 0.00 C ATOM 1610 NE ARG A 122 -10.428 -17.525 30.759 1.00 0.00 N ATOM 1611 CZ ARG A 122 -9.595 -16.491 30.817 1.00 0.00 C ATOM 1612 NH1 ARG A 122 -8.949 -16.236 31.921 1.00 0.00 N ATOM 1613 NH2 ARG A 122 -9.424 -15.731 29.770 1.00 0.00 N ATOM 0 H ARG A 122 -15.023 -16.342 26.729 1.00 0.00 H new ATOM 0 HA ARG A 122 -15.284 -17.211 29.399 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -13.488 -18.306 28.511 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -13.179 -17.050 27.329 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -11.669 -15.910 28.711 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -12.527 -16.327 30.181 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -11.644 -18.800 29.605 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -10.436 -17.919 28.690 1.00 0.00 H new ATOM 0 HE ARG A 122 -10.572 -18.106 31.585 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -9.083 -16.830 32.739 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -8.310 -15.443 31.966 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -9.930 -15.930 28.907 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -8.785 -14.937 29.815 1.00 0.00 H new ATOM 1627 N LEU A 123 -13.941 -14.228 28.982 1.00 0.00 N ATOM 1628 CA LEU A 123 -13.597 -13.018 29.699 1.00 0.00 C ATOM 1629 C LEU A 123 -14.808 -12.496 30.459 1.00 0.00 C ATOM 1630 O LEU A 123 -14.695 -12.094 31.616 1.00 0.00 O ATOM 1631 CB LEU A 123 -13.083 -11.960 28.719 1.00 0.00 C ATOM 1632 CG LEU A 123 -11.723 -12.399 28.162 1.00 0.00 C ATOM 1633 CD1 LEU A 123 -11.290 -11.438 27.047 1.00 0.00 C ATOM 1634 CD2 LEU A 123 -10.676 -12.393 29.287 1.00 0.00 C ATOM 0 H LEU A 123 -13.795 -14.190 27.973 1.00 0.00 H new ATOM 0 HA LEU A 123 -12.809 -13.242 30.418 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -13.795 -11.826 27.905 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -12.989 -10.998 29.222 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.807 -13.407 27.757 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -10.323 -11.751 26.652 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -12.030 -11.451 26.247 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.208 -10.428 27.449 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.711 -12.705 28.888 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -10.590 -11.387 29.699 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -10.983 -13.082 30.074 1.00 0.00 H new ATOM 1646 N SER A 124 -15.965 -12.519 29.817 1.00 0.00 N ATOM 1647 CA SER A 124 -17.189 -12.061 30.460 1.00 0.00 C ATOM 1648 C SER A 124 -17.545 -12.948 31.657 1.00 0.00 C ATOM 1649 O SER A 124 -17.971 -12.453 32.700 1.00 0.00 O ATOM 1650 CB SER A 124 -18.333 -12.071 29.454 1.00 0.00 C ATOM 1651 OG SER A 124 -19.509 -11.581 30.082 1.00 0.00 O ATOM 0 H SER A 124 -16.084 -12.847 28.858 1.00 0.00 H new ATOM 0 HA SER A 124 -17.028 -11.045 30.821 1.00 0.00 H new ATOM 0 HB2 SER A 124 -18.081 -11.453 28.592 1.00 0.00 H new ATOM 0 HB3 SER A 124 -18.499 -13.082 29.083 1.00 0.00 H new ATOM 0 HG SER A 124 -20.249 -11.584 29.439 1.00 0.00 H new ATOM 1657 N GLU A 125 -17.382 -14.261 31.495 1.00 0.00 N ATOM 1658 CA GLU A 125 -17.703 -15.201 32.568 1.00 0.00 C ATOM 1659 C GLU A 125 -16.877 -14.898 33.813 1.00 0.00 C ATOM 1660 O GLU A 125 -17.393 -14.901 34.931 1.00 0.00 O ATOM 1661 CB GLU A 125 -17.433 -16.637 32.105 1.00 0.00 C ATOM 1662 CG GLU A 125 -17.833 -17.620 33.208 1.00 0.00 C ATOM 1663 CD GLU A 125 -17.583 -19.052 32.745 1.00 0.00 C ATOM 1664 OE1 GLU A 125 -16.508 -19.308 32.229 1.00 0.00 O ATOM 1665 OE2 GLU A 125 -18.471 -19.872 32.916 1.00 0.00 O ATOM 0 H GLU A 125 -17.033 -14.694 30.640 1.00 0.00 H new ATOM 0 HA GLU A 125 -18.759 -15.094 32.815 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -17.996 -16.848 31.196 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -16.377 -16.758 31.862 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -17.261 -17.416 34.113 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -18.885 -17.489 33.460 1.00 0.00 H new ATOM 1672 N LEU A 126 -15.593 -14.631 33.613 1.00 0.00 N ATOM 1673 CA LEU A 126 -14.709 -14.318 34.725 1.00 0.00 C ATOM 1674 C LEU A 126 -15.129 -13.002 35.381 1.00 0.00 C ATOM 1675 O LEU A 126 -15.089 -12.867 36.604 1.00 0.00 O ATOM 1676 CB LEU A 126 -13.262 -14.236 34.232 1.00 0.00 C ATOM 1677 CG LEU A 126 -12.801 -15.629 33.787 1.00 0.00 C ATOM 1678 CD1 LEU A 126 -11.421 -15.527 33.133 1.00 0.00 C ATOM 1679 CD2 LEU A 126 -12.726 -16.564 35.001 1.00 0.00 C ATOM 0 H LEU A 126 -15.144 -14.625 32.697 1.00 0.00 H new ATOM 0 HA LEU A 126 -14.780 -15.110 35.470 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -13.187 -13.533 33.402 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -12.615 -13.862 35.026 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.515 -16.031 33.068 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -11.094 -16.518 32.817 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -11.477 -14.870 32.265 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.708 -15.121 33.850 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.398 -17.552 34.679 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -12.016 -16.164 35.725 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.711 -16.641 35.462 1.00 0.00 H new ATOM 1691 N GLN A 127 -15.535 -12.036 34.559 1.00 0.00 N ATOM 1692 CA GLN A 127 -15.965 -10.735 35.071 1.00 0.00 C ATOM 1693 C GLN A 127 -17.198 -10.873 35.957 1.00 0.00 C ATOM 1694 O GLN A 127 -17.286 -10.238 37.007 1.00 0.00 O ATOM 1695 CB GLN A 127 -16.282 -9.793 33.909 1.00 0.00 C ATOM 1696 CG GLN A 127 -14.981 -9.356 33.237 1.00 0.00 C ATOM 1697 CD GLN A 127 -15.288 -8.497 32.016 1.00 0.00 C ATOM 1698 OE1 GLN A 127 -16.104 -7.579 32.089 1.00 0.00 O ATOM 1699 NE2 GLN A 127 -14.680 -8.745 30.888 1.00 0.00 N ATOM 0 H GLN A 127 -15.575 -12.127 33.544 1.00 0.00 H new ATOM 0 HA GLN A 127 -15.150 -10.324 35.668 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -16.926 -10.294 33.186 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -16.827 -8.921 34.272 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -14.369 -8.794 33.942 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -14.403 -10.231 32.940 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -14.004 -9.506 30.830 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -14.881 -8.177 30.065 1.00 0.00 H new ATOM 1708 N GLN A 128 -18.146 -11.702 35.538 1.00 0.00 N ATOM 1709 CA GLN A 128 -19.361 -11.898 36.320 1.00 0.00 C ATOM 1710 C GLN A 128 -19.003 -12.367 37.726 1.00 0.00 C ATOM 1711 O GLN A 128 -19.589 -11.917 38.710 1.00 0.00 O ATOM 1712 CB GLN A 128 -20.266 -12.922 35.632 1.00 0.00 C ATOM 1713 CG GLN A 128 -20.812 -12.320 34.334 1.00 0.00 C ATOM 1714 CD GLN A 128 -21.646 -13.355 33.585 1.00 0.00 C ATOM 1715 OE1 GLN A 128 -21.126 -14.387 33.166 1.00 0.00 O ATOM 1716 NE2 GLN A 128 -22.919 -13.137 33.394 1.00 0.00 N ATOM 0 H GLN A 128 -18.100 -12.242 34.674 1.00 0.00 H new ATOM 0 HA GLN A 128 -19.897 -10.951 36.392 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -19.707 -13.833 35.418 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -21.088 -13.200 36.292 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -21.421 -11.444 34.558 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -19.988 -11.982 33.706 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -23.348 -12.280 33.743 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -23.485 -13.824 32.896 1.00 0.00 H new ATOM 1725 N TYR A 129 -18.025 -13.263 37.815 1.00 0.00 N ATOM 1726 CA TYR A 129 -17.582 -13.771 39.107 1.00 0.00 C ATOM 1727 C TYR A 129 -16.872 -12.677 39.905 1.00 0.00 C ATOM 1728 O TYR A 129 -17.015 -12.593 41.124 1.00 0.00 O ATOM 1729 CB TYR A 129 -16.645 -14.963 38.913 1.00 0.00 C ATOM 1730 CG TYR A 129 -17.461 -16.185 38.567 1.00 0.00 C ATOM 1731 CD1 TYR A 129 -17.332 -16.787 37.309 1.00 0.00 C ATOM 1732 CD2 TYR A 129 -18.349 -16.716 39.509 1.00 0.00 C ATOM 1733 CE1 TYR A 129 -18.093 -17.920 36.995 1.00 0.00 C ATOM 1734 CE2 TYR A 129 -19.110 -17.848 39.195 1.00 0.00 C ATOM 1735 CZ TYR A 129 -18.981 -18.451 37.937 1.00 0.00 C ATOM 1736 OH TYR A 129 -19.730 -19.567 37.627 1.00 0.00 O ATOM 0 H TYR A 129 -17.527 -13.650 37.013 1.00 0.00 H new ATOM 0 HA TYR A 129 -18.461 -14.094 39.665 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -15.929 -14.752 38.119 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -16.070 -15.140 39.822 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -16.646 -16.378 36.582 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -18.447 -16.252 40.479 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -17.994 -18.384 36.025 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -19.796 -18.256 39.922 1.00 0.00 H new ATOM 0 HH TYR A 129 -20.294 -19.805 38.392 1.00 0.00 H new ATOM 1746 N ARG A 130 -16.102 -11.844 39.211 1.00 0.00 N ATOM 1747 CA ARG A 130 -15.370 -10.762 39.866 1.00 0.00 C ATOM 1748 C ARG A 130 -16.330 -9.763 40.506 1.00 0.00 C ATOM 1749 O ARG A 130 -16.097 -9.291 41.618 1.00 0.00 O ATOM 1750 CB ARG A 130 -14.482 -10.040 38.851 1.00 0.00 C ATOM 1751 CG ARG A 130 -13.657 -8.969 39.567 1.00 0.00 C ATOM 1752 CD ARG A 130 -12.786 -8.229 38.550 1.00 0.00 C ATOM 1753 NE ARG A 130 -11.874 -7.318 39.232 1.00 0.00 N ATOM 1754 CZ ARG A 130 -11.246 -6.353 38.570 1.00 0.00 C ATOM 1755 NH1 ARG A 130 -10.435 -5.549 39.200 1.00 0.00 N ATOM 1756 NH2 ARG A 130 -11.440 -6.209 37.287 1.00 0.00 N ATOM 0 H ARG A 130 -15.968 -11.896 38.201 1.00 0.00 H new ATOM 0 HA ARG A 130 -14.749 -11.198 40.648 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -13.822 -10.753 38.357 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -15.096 -9.583 38.075 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -14.317 -8.266 40.076 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -13.031 -9.428 40.332 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -12.218 -8.946 37.957 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -13.417 -7.672 37.858 1.00 0.00 H new ATOM 0 HE ARG A 130 -11.716 -7.424 40.234 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -10.282 -5.661 40.202 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -9.953 -4.808 38.690 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -12.074 -6.838 36.793 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -10.958 -5.468 36.778 1.00 0.00 H new ATOM 1770 N GLU A 131 -17.407 -9.441 39.796 1.00 0.00 N ATOM 1771 CA GLU A 131 -18.389 -8.491 40.308 1.00 0.00 C ATOM 1772 C GLU A 131 -18.829 -8.878 41.715 1.00 0.00 C ATOM 1773 O GLU A 131 -19.123 -8.014 42.541 1.00 0.00 O ATOM 1774 CB GLU A 131 -19.609 -8.454 39.384 1.00 0.00 C ATOM 1775 CG GLU A 131 -19.224 -7.813 38.049 1.00 0.00 C ATOM 1776 CD GLU A 131 -20.403 -7.872 37.084 1.00 0.00 C ATOM 1777 OE1 GLU A 131 -21.444 -8.370 37.480 1.00 0.00 O ATOM 1778 OE2 GLU A 131 -20.249 -7.418 35.962 1.00 0.00 O ATOM 0 H GLU A 131 -17.621 -9.820 38.873 1.00 0.00 H new ATOM 0 HA GLU A 131 -17.927 -7.504 40.343 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -19.983 -9.464 39.219 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -20.415 -7.888 39.852 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -18.924 -6.777 38.207 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -18.366 -8.332 37.621 1.00 0.00 H new