USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 600 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 72 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 79 CYS SG : rot 180:sc= -1.99 USER MOD Set 2.2: A 81 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 68 SER OG : rot 180:sc= 0.00371 USER MOD Set 3.2: A 71 THR OG1 : rot 75:sc= 1.24 USER MOD Single : A 13 HIS : no HD1:sc= -0.488 X(o=-0.49,f=-0.77) USER MOD Single : A 17 SER OG : rot -97:sc= 0.041 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -1.21 X(o=-1.2,f=-1.5) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.993 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.205 X(o=-0.2,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.000609 USER MOD Single : A 58 ASN : amide:sc= -1.29 K(o=-1.3,f=-0.25) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -138:sc= 0 (180deg=-0.197) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -41:sc= 1.12 USER MOD Single : A 73 TYR OH : rot 70:sc= -1.04 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 85:sc= 0.26 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0573 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -174:sc= 1.1 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 11 -7.639 -12.125 -6.524 1.00 0.00 N ATOM 110 CA PRO A 11 -8.915 -11.718 -7.120 1.00 0.00 C ATOM 111 C PRO A 11 -8.762 -10.528 -8.061 1.00 0.00 C ATOM 112 O PRO A 11 -9.415 -10.460 -9.102 1.00 0.00 O ATOM 113 CB PRO A 11 -9.767 -11.335 -5.908 1.00 0.00 C ATOM 114 CG PRO A 11 -8.782 -10.953 -4.858 1.00 0.00 C ATOM 115 CD PRO A 11 -7.577 -11.824 -5.084 1.00 0.00 C ATOM 0 HA PRO A 11 -9.350 -12.509 -7.731 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.438 -10.508 -6.141 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.390 -12.168 -5.582 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.520 -9.898 -4.934 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.194 -11.108 -3.861 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.653 -11.308 -4.821 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.618 -12.731 -4.482 1.00 0.00 H new ATOM 123 N ARG A 12 -7.894 -9.593 -7.688 1.00 0.00 N ATOM 124 CA ARG A 12 -7.656 -8.405 -8.499 1.00 0.00 C ATOM 125 C ARG A 12 -6.209 -7.939 -8.368 1.00 0.00 C ATOM 126 O ARG A 12 -5.406 -8.561 -7.672 1.00 0.00 O ATOM 127 CB ARG A 12 -8.605 -7.279 -8.084 1.00 0.00 C ATOM 128 CG ARG A 12 -10.039 -7.491 -8.542 1.00 0.00 C ATOM 129 CD ARG A 12 -10.137 -7.543 -10.059 1.00 0.00 C ATOM 130 NE ARG A 12 -11.454 -7.131 -10.537 1.00 0.00 N ATOM 131 CZ ARG A 12 -11.815 -7.161 -11.815 1.00 0.00 C ATOM 132 NH1 ARG A 12 -10.962 -7.582 -12.738 1.00 0.00 N ATOM 133 NH2 ARG A 12 -13.032 -6.771 -12.171 1.00 0.00 N ATOM 0 H ARG A 12 -7.344 -9.635 -6.830 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.844 -8.663 -9.541 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.590 -7.184 -6.998 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.238 -6.337 -8.492 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.424 -8.419 -8.119 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.666 -6.684 -8.163 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.375 -6.896 -10.494 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.928 -8.557 -10.401 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.134 -6.802 -9.852 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.026 -7.884 -12.468 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.242 -7.604 -13.719 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.691 -6.448 -11.463 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.308 -6.794 -13.153 1.00 0.00 H new ATOM 147 N HIS A 13 -5.883 -6.841 -9.043 1.00 0.00 N ATOM 148 CA HIS A 13 -4.533 -6.291 -9.002 1.00 0.00 C ATOM 149 C HIS A 13 -4.511 -4.959 -8.258 1.00 0.00 C ATOM 150 O HIS A 13 -5.555 -4.440 -7.861 1.00 0.00 O ATOM 151 CB HIS A 13 -3.992 -6.105 -10.420 1.00 0.00 C ATOM 152 CG HIS A 13 -2.500 -6.199 -10.510 1.00 0.00 C ATOM 153 ND1 HIS A 13 -1.763 -7.136 -9.818 1.00 0.00 N ATOM 154 CD2 HIS A 13 -1.608 -5.467 -11.217 1.00 0.00 C ATOM 155 CE1 HIS A 13 -0.481 -6.975 -10.094 1.00 0.00 C ATOM 156 NE2 HIS A 13 -0.360 -5.969 -10.942 1.00 0.00 N ATOM 0 H HIS A 13 -6.535 -6.315 -9.625 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.896 -6.996 -8.468 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -4.435 -6.859 -11.071 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -4.310 -5.133 -10.796 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -1.835 -4.641 -11.875 1.00 0.00 H new ATOM 0 HE1 HIS A 13 0.330 -7.565 -9.694 1.00 0.00 H new ATOM 0 HE2 HIS A 13 0.517 -5.622 -11.329 1.00 0.00 H new ATOM 165 N LEU A 14 -3.315 -4.411 -8.071 1.00 0.00 N ATOM 166 CA LEU A 14 -3.156 -3.140 -7.373 1.00 0.00 C ATOM 167 C LEU A 14 -2.861 -2.012 -8.357 1.00 0.00 C ATOM 168 O LEU A 14 -2.359 -2.248 -9.455 1.00 0.00 O ATOM 169 CB LEU A 14 -2.032 -3.239 -6.341 1.00 0.00 C ATOM 170 CG LEU A 14 -2.444 -3.693 -4.940 1.00 0.00 C ATOM 171 CD1 LEU A 14 -1.225 -3.825 -4.041 1.00 0.00 C ATOM 172 CD2 LEU A 14 -3.450 -2.721 -4.340 1.00 0.00 C ATOM 0 H LEU A 14 -2.441 -4.827 -8.393 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.092 -2.915 -6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.279 -3.931 -6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.555 -2.263 -6.259 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.917 -4.672 -5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.538 -4.149 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.540 -4.560 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.722 -2.861 -3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.733 -3.059 -3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.003 -1.729 -4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.336 -2.678 -4.973 1.00 0.00 H new ATOM 184 N GLY A 15 -3.175 -0.785 -7.953 1.00 0.00 N ATOM 185 CA GLY A 15 -2.935 0.362 -8.810 1.00 0.00 C ATOM 186 C GLY A 15 -2.418 1.562 -8.041 1.00 0.00 C ATOM 187 O GLY A 15 -2.999 1.958 -7.030 1.00 0.00 O ATOM 0 H GLY A 15 -3.591 -0.565 -7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.214 0.091 -9.582 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.861 0.632 -9.319 1.00 0.00 H new ATOM 191 N PHE A 16 -1.322 2.142 -8.519 1.00 0.00 N ATOM 192 CA PHE A 16 -0.726 3.302 -7.868 1.00 0.00 C ATOM 193 C PHE A 16 -0.935 4.562 -8.703 1.00 0.00 C ATOM 194 O PHE A 16 -0.616 4.592 -9.892 1.00 0.00 O ATOM 195 CB PHE A 16 0.769 3.072 -7.637 1.00 0.00 C ATOM 196 CG PHE A 16 1.065 1.901 -6.745 1.00 0.00 C ATOM 197 CD1 PHE A 16 0.941 2.013 -5.369 1.00 0.00 C ATOM 198 CD2 PHE A 16 1.467 0.688 -7.281 1.00 0.00 C ATOM 199 CE1 PHE A 16 1.211 0.937 -4.545 1.00 0.00 C ATOM 200 CE2 PHE A 16 1.739 -0.391 -6.462 1.00 0.00 C ATOM 201 CZ PHE A 16 1.612 -0.266 -5.092 1.00 0.00 C ATOM 0 H PHE A 16 -0.829 1.828 -9.355 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.218 3.440 -6.905 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.258 2.918 -8.599 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.203 3.971 -7.199 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.630 2.952 -4.936 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.569 0.585 -8.351 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.109 1.037 -3.475 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.051 -1.331 -6.892 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.826 -1.108 -4.450 1.00 0.00 H new ATOM 211 N SER A 17 -1.474 5.601 -8.072 1.00 0.00 N ATOM 212 CA SER A 17 -1.730 6.862 -8.758 1.00 0.00 C ATOM 213 C SER A 17 -1.300 8.045 -7.896 1.00 0.00 C ATOM 214 O SER A 17 -0.883 7.874 -6.750 1.00 0.00 O ATOM 215 CB SER A 17 -3.214 6.984 -9.108 1.00 0.00 C ATOM 216 OG SER A 17 -4.019 6.932 -7.942 1.00 0.00 O ATOM 0 H SER A 17 -1.742 5.594 -7.088 1.00 0.00 H new ATOM 0 HA SER A 17 -1.145 6.873 -9.678 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.391 7.922 -9.634 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.498 6.179 -9.786 1.00 0.00 H new ATOM 0 HG SER A 17 -4.357 6.021 -7.818 1.00 0.00 H new ATOM 222 N ASP A 18 -1.405 9.246 -8.456 1.00 0.00 N ATOM 223 CA ASP A 18 -1.029 10.459 -7.739 1.00 0.00 C ATOM 224 C ASP A 18 0.221 10.227 -6.896 1.00 0.00 C ATOM 225 O ASP A 18 0.399 10.845 -5.847 1.00 0.00 O ATOM 226 CB ASP A 18 -2.180 10.929 -6.849 1.00 0.00 C ATOM 227 CG ASP A 18 -2.165 12.428 -6.625 1.00 0.00 C ATOM 228 OD1 ASP A 18 -1.934 13.171 -7.602 1.00 0.00 O ATOM 229 OD2 ASP A 18 -2.382 12.859 -5.473 1.00 0.00 O ATOM 0 H ASP A 18 -1.747 9.405 -9.404 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.810 11.233 -8.475 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.128 10.642 -7.305 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.122 10.420 -5.887 1.00 0.00 H new ATOM 234 N VAL A 19 1.085 9.330 -7.362 1.00 0.00 N ATOM 235 CA VAL A 19 2.318 9.016 -6.652 1.00 0.00 C ATOM 236 C VAL A 19 3.212 10.245 -6.533 1.00 0.00 C ATOM 237 O VAL A 19 3.314 11.043 -7.464 1.00 0.00 O ATOM 238 CB VAL A 19 3.101 7.891 -7.356 1.00 0.00 C ATOM 239 CG1 VAL A 19 4.385 7.581 -6.602 1.00 0.00 C ATOM 240 CG2 VAL A 19 2.238 6.646 -7.492 1.00 0.00 C ATOM 0 H VAL A 19 0.953 8.808 -8.228 1.00 0.00 H new ATOM 0 HA VAL A 19 2.032 8.680 -5.655 1.00 0.00 H new ATOM 0 HB VAL A 19 3.369 8.230 -8.357 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.924 6.784 -7.114 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.009 8.474 -6.563 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.144 7.262 -5.588 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.807 5.862 -7.991 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.937 6.302 -6.502 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.351 6.881 -8.080 1.00 0.00 H new ATOM 250 N SER A 20 3.859 10.390 -5.380 1.00 0.00 N ATOM 251 CA SER A 20 4.743 11.524 -5.137 1.00 0.00 C ATOM 252 C SER A 20 6.068 11.062 -4.539 1.00 0.00 C ATOM 253 O SER A 20 6.231 9.892 -4.191 1.00 0.00 O ATOM 254 CB SER A 20 4.071 12.530 -4.201 1.00 0.00 C ATOM 255 OG SER A 20 3.126 13.323 -4.899 1.00 0.00 O ATOM 0 H SER A 20 3.787 9.736 -4.600 1.00 0.00 H new ATOM 0 HA SER A 20 4.945 12.007 -6.093 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.576 12.000 -3.387 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.827 13.172 -3.749 1.00 0.00 H new ATOM 0 HG SER A 20 2.709 13.957 -4.279 1.00 0.00 H new ATOM 261 N HIS A 21 7.013 11.989 -4.422 1.00 0.00 N ATOM 262 CA HIS A 21 8.325 11.678 -3.865 1.00 0.00 C ATOM 263 C HIS A 21 8.288 11.706 -2.340 1.00 0.00 C ATOM 264 O HIS A 21 9.302 11.478 -1.681 1.00 0.00 O ATOM 265 CB HIS A 21 9.369 12.670 -4.380 1.00 0.00 C ATOM 266 CG HIS A 21 9.002 14.103 -4.143 1.00 0.00 C ATOM 267 ND1 HIS A 21 8.373 14.885 -5.089 1.00 0.00 N ATOM 268 CD2 HIS A 21 9.177 14.894 -3.059 1.00 0.00 C ATOM 269 CE1 HIS A 21 8.179 16.095 -4.598 1.00 0.00 C ATOM 270 NE2 HIS A 21 8.657 16.127 -3.367 1.00 0.00 N ATOM 0 H HIS A 21 6.895 12.962 -4.705 1.00 0.00 H new ATOM 0 HA HIS A 21 8.600 10.673 -4.186 1.00 0.00 H new ATOM 0 HB2 HIS A 21 10.324 12.463 -3.897 1.00 0.00 H new ATOM 0 HB3 HIS A 21 9.512 12.512 -5.449 1.00 0.00 H new ATOM 0 HD2 HIS A 21 9.639 14.609 -2.126 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.709 16.919 -5.115 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.642 16.936 -2.746 1.00 0.00 H new ATOM 279 N ASP A 22 7.113 11.987 -1.787 1.00 0.00 N ATOM 280 CA ASP A 22 6.944 12.044 -0.339 1.00 0.00 C ATOM 281 C ASP A 22 5.746 11.208 0.101 1.00 0.00 C ATOM 282 O ASP A 22 5.397 11.180 1.281 1.00 0.00 O ATOM 283 CB ASP A 22 6.767 13.493 0.118 1.00 0.00 C ATOM 284 CG ASP A 22 5.540 14.145 -0.488 1.00 0.00 C ATOM 285 OD1 ASP A 22 5.193 13.804 -1.639 1.00 0.00 O ATOM 286 OD2 ASP A 22 4.927 14.997 0.187 1.00 0.00 O ATOM 0 H ASP A 22 6.264 12.179 -2.319 1.00 0.00 H new ATOM 0 HA ASP A 22 7.841 11.632 0.124 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.691 13.521 1.205 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.652 14.068 -0.154 1.00 0.00 H new ATOM 291 N ALA A 23 5.121 10.530 -0.855 1.00 0.00 N ATOM 292 CA ALA A 23 3.963 9.693 -0.566 1.00 0.00 C ATOM 293 C ALA A 23 3.513 8.930 -1.808 1.00 0.00 C ATOM 294 O ALA A 23 4.019 9.160 -2.906 1.00 0.00 O ATOM 295 CB ALA A 23 2.823 10.540 -0.021 1.00 0.00 C ATOM 0 H ALA A 23 5.397 10.544 -1.837 1.00 0.00 H new ATOM 0 HA ALA A 23 4.252 8.963 0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.965 9.902 0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.143 11.034 0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.543 11.292 -0.759 1.00 0.00 H new ATOM 301 N ALA A 24 2.560 8.022 -1.625 1.00 0.00 N ATOM 302 CA ALA A 24 2.041 7.227 -2.731 1.00 0.00 C ATOM 303 C ALA A 24 0.652 6.684 -2.413 1.00 0.00 C ATOM 304 O ALA A 24 0.437 6.084 -1.360 1.00 0.00 O ATOM 305 CB ALA A 24 2.994 6.087 -3.055 1.00 0.00 C ATOM 0 H ALA A 24 2.132 7.819 -0.722 1.00 0.00 H new ATOM 0 HA ALA A 24 1.958 7.875 -3.603 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.593 5.502 -3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.966 6.494 -3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.107 5.447 -2.180 1.00 0.00 H new ATOM 311 N ARG A 25 -0.287 6.900 -3.328 1.00 0.00 N ATOM 312 CA ARG A 25 -1.656 6.433 -3.143 1.00 0.00 C ATOM 313 C ARG A 25 -1.856 5.065 -3.788 1.00 0.00 C ATOM 314 O ARG A 25 -1.429 4.832 -4.919 1.00 0.00 O ATOM 315 CB ARG A 25 -2.645 7.438 -3.736 1.00 0.00 C ATOM 316 CG ARG A 25 -4.079 7.223 -3.280 1.00 0.00 C ATOM 317 CD ARG A 25 -4.887 8.509 -3.361 1.00 0.00 C ATOM 318 NE ARG A 25 -5.212 8.866 -4.739 1.00 0.00 N ATOM 319 CZ ARG A 25 -6.068 9.826 -5.068 1.00 0.00 C ATOM 320 NH1 ARG A 25 -6.683 10.523 -4.122 1.00 0.00 N ATOM 321 NH2 ARG A 25 -6.311 10.093 -6.345 1.00 0.00 N ATOM 0 H ARG A 25 -0.125 7.395 -4.205 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.840 6.341 -2.073 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.333 8.446 -3.463 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.605 7.376 -4.823 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.548 6.458 -3.898 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.085 6.852 -2.255 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.808 8.395 -2.789 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.324 9.320 -2.900 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.756 8.349 -5.491 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.499 10.322 -3.139 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.340 11.260 -4.377 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.840 9.560 -7.076 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.969 10.831 -6.595 1.00 0.00 H new ATOM 335 N VAL A 26 -2.508 4.163 -3.061 1.00 0.00 N ATOM 336 CA VAL A 26 -2.765 2.818 -3.563 1.00 0.00 C ATOM 337 C VAL A 26 -4.261 2.559 -3.699 1.00 0.00 C ATOM 338 O VAL A 26 -5.038 2.851 -2.789 1.00 0.00 O ATOM 339 CB VAL A 26 -2.152 1.748 -2.640 1.00 0.00 C ATOM 340 CG1 VAL A 26 -2.476 2.049 -1.185 1.00 0.00 C ATOM 341 CG2 VAL A 26 -2.646 0.363 -3.030 1.00 0.00 C ATOM 0 H VAL A 26 -2.868 4.339 -2.123 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.297 2.752 -4.545 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.069 1.769 -2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.035 1.282 -0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.069 3.023 -0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.557 2.057 -1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.203 -0.381 -2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.732 0.326 -2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.357 0.150 -4.059 1.00 0.00 H new ATOM 351 N PHE A 27 -4.660 2.009 -4.841 1.00 0.00 N ATOM 352 CA PHE A 27 -6.064 1.711 -5.097 1.00 0.00 C ATOM 353 C PHE A 27 -6.218 0.347 -5.763 1.00 0.00 C ATOM 354 O PHE A 27 -5.343 -0.093 -6.509 1.00 0.00 O ATOM 355 CB PHE A 27 -6.685 2.795 -5.981 1.00 0.00 C ATOM 356 CG PHE A 27 -6.236 2.731 -7.413 1.00 0.00 C ATOM 357 CD1 PHE A 27 -6.873 1.894 -8.315 1.00 0.00 C ATOM 358 CD2 PHE A 27 -5.178 3.508 -7.857 1.00 0.00 C ATOM 359 CE1 PHE A 27 -6.461 1.833 -9.633 1.00 0.00 C ATOM 360 CE2 PHE A 27 -4.763 3.451 -9.174 1.00 0.00 C ATOM 361 CZ PHE A 27 -5.406 2.613 -10.063 1.00 0.00 C ATOM 0 H PHE A 27 -4.030 1.761 -5.604 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.585 1.690 -4.140 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.771 2.704 -5.945 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.433 3.774 -5.573 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.700 1.283 -7.985 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.672 4.166 -7.166 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.964 1.175 -10.326 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.937 4.061 -9.507 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.084 2.568 -11.093 1.00 0.00 H new ATOM 371 N TRP A 28 -7.334 -0.317 -5.487 1.00 0.00 N ATOM 372 CA TRP A 28 -7.603 -1.632 -6.059 1.00 0.00 C ATOM 373 C TRP A 28 -8.913 -1.629 -6.839 1.00 0.00 C ATOM 374 O TRP A 28 -9.740 -0.732 -6.677 1.00 0.00 O ATOM 375 CB TRP A 28 -7.655 -2.689 -4.955 1.00 0.00 C ATOM 376 CG TRP A 28 -8.288 -2.196 -3.689 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.562 -2.440 -3.261 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.678 -1.373 -2.689 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.780 -1.819 -2.055 1.00 0.00 N ATOM 380 CE2 TRP A 28 -8.639 -1.158 -1.683 1.00 0.00 C ATOM 381 CE3 TRP A 28 -6.412 -0.799 -2.545 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -8.373 -0.393 -0.550 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -6.149 -0.039 -1.421 1.00 0.00 C ATOM 384 CH2 TRP A 28 -7.126 0.158 -0.435 1.00 0.00 C ATOM 0 H TRP A 28 -8.068 0.033 -4.871 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.793 -1.874 -6.747 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -8.210 -3.555 -5.317 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.642 -3.028 -4.738 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -10.291 -3.034 -3.793 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.650 -1.846 -1.523 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.653 -0.947 -3.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.124 -0.240 0.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.175 0.411 -1.300 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -6.890 0.756 0.432 1.00 0.00 H new ATOM 395 N GLU A 29 -9.094 -2.637 -7.686 1.00 0.00 N ATOM 396 CA GLU A 29 -10.305 -2.749 -8.491 1.00 0.00 C ATOM 397 C GLU A 29 -11.451 -3.336 -7.673 1.00 0.00 C ATOM 398 O GLU A 29 -12.478 -3.736 -8.220 1.00 0.00 O ATOM 399 CB GLU A 29 -10.046 -3.619 -9.723 1.00 0.00 C ATOM 400 CG GLU A 29 -9.560 -2.835 -10.931 1.00 0.00 C ATOM 401 CD GLU A 29 -9.331 -3.715 -12.144 1.00 0.00 C ATOM 402 OE1 GLU A 29 -8.231 -4.295 -12.258 1.00 0.00 O ATOM 403 OE2 GLU A 29 -10.252 -3.824 -12.980 1.00 0.00 O ATOM 0 H GLU A 29 -8.419 -3.387 -7.833 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.589 -1.748 -8.814 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.306 -4.379 -9.472 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.964 -4.144 -9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.291 -2.065 -11.178 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.632 -2.323 -10.678 1.00 0.00 H new ATOM 410 N GLY A 30 -11.267 -3.383 -6.357 1.00 0.00 N ATOM 411 CA GLY A 30 -12.293 -3.923 -5.483 1.00 0.00 C ATOM 412 C GLY A 30 -12.390 -5.433 -5.568 1.00 0.00 C ATOM 413 O GLY A 30 -12.007 -6.031 -6.572 1.00 0.00 O ATOM 0 H GLY A 30 -10.426 -3.057 -5.880 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.079 -3.633 -4.454 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.256 -3.485 -5.744 1.00 0.00 H new ATOM 417 N ALA A 31 -12.904 -6.051 -4.509 1.00 0.00 N ATOM 418 CA ALA A 31 -13.051 -7.501 -4.468 1.00 0.00 C ATOM 419 C ALA A 31 -14.470 -7.920 -4.836 1.00 0.00 C ATOM 420 O ALA A 31 -15.422 -7.149 -4.712 1.00 0.00 O ATOM 421 CB ALA A 31 -12.683 -8.030 -3.089 1.00 0.00 C ATOM 0 H ALA A 31 -13.225 -5.570 -3.669 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.371 -7.931 -5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.797 -9.114 -3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.648 -7.771 -2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.339 -7.585 -2.341 1.00 0.00 H new ATOM 427 N PRO A 32 -14.618 -9.169 -5.300 1.00 0.00 N ATOM 428 CA PRO A 32 -15.918 -9.718 -5.695 1.00 0.00 C ATOM 429 C PRO A 32 -16.838 -9.948 -4.501 1.00 0.00 C ATOM 430 O PRO A 32 -18.018 -10.259 -4.665 1.00 0.00 O ATOM 431 CB PRO A 32 -15.555 -11.051 -6.355 1.00 0.00 C ATOM 432 CG PRO A 32 -14.251 -11.433 -5.744 1.00 0.00 C ATOM 433 CD PRO A 32 -13.527 -10.143 -5.474 1.00 0.00 C ATOM 0 HA PRO A 32 -16.465 -9.038 -6.348 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.317 -11.807 -6.166 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.470 -10.947 -7.437 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -14.402 -11.996 -4.823 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -13.676 -12.070 -6.417 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.903 -10.211 -4.583 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.872 -9.869 -6.301 1.00 0.00 H new ATOM 441 N ARG A 33 -16.290 -9.793 -3.300 1.00 0.00 N ATOM 442 CA ARG A 33 -17.062 -9.985 -2.078 1.00 0.00 C ATOM 443 C ARG A 33 -16.905 -8.790 -1.142 1.00 0.00 C ATOM 444 O ARG A 33 -15.913 -8.061 -1.188 1.00 0.00 O ATOM 445 CB ARG A 33 -16.620 -11.265 -1.366 1.00 0.00 C ATOM 446 CG ARG A 33 -15.114 -11.379 -1.196 1.00 0.00 C ATOM 447 CD ARG A 33 -14.732 -12.645 -0.444 1.00 0.00 C ATOM 448 NE ARG A 33 -15.668 -12.943 0.636 1.00 0.00 N ATOM 449 CZ ARG A 33 -16.794 -13.627 0.465 1.00 0.00 C ATOM 450 NH1 ARG A 33 -17.121 -14.082 -0.737 1.00 0.00 N ATOM 451 NH2 ARG A 33 -17.594 -13.859 1.498 1.00 0.00 N ATOM 0 H ARG A 33 -15.315 -9.535 -3.147 1.00 0.00 H new ATOM 0 HA ARG A 33 -18.113 -10.074 -2.353 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -17.092 -11.306 -0.384 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.980 -12.126 -1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.635 -11.378 -2.175 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.741 -10.508 -0.657 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.701 -13.484 -1.139 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.728 -12.534 -0.034 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.445 -12.608 1.573 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.507 -13.907 -1.533 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -17.986 -14.607 -0.866 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.345 -13.512 2.424 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -18.458 -14.384 1.366 1.00 0.00 H new ATOM 465 N PRO A 34 -17.905 -8.582 -0.273 1.00 0.00 N ATOM 466 CA PRO A 34 -17.901 -7.477 0.689 1.00 0.00 C ATOM 467 C PRO A 34 -16.858 -7.666 1.785 1.00 0.00 C ATOM 468 O PRO A 34 -16.610 -8.786 2.233 1.00 0.00 O ATOM 469 CB PRO A 34 -19.312 -7.517 1.281 1.00 0.00 C ATOM 470 CG PRO A 34 -19.755 -8.929 1.110 1.00 0.00 C ATOM 471 CD PRO A 34 -19.117 -9.411 -0.164 1.00 0.00 C ATOM 0 HA PRO A 34 -17.648 -6.527 0.217 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -19.309 -7.228 2.332 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.978 -6.828 0.763 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.445 -9.541 1.957 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -20.842 -8.993 1.051 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -18.875 -10.473 -0.116 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -19.776 -9.273 -1.021 1.00 0.00 H new ATOM 479 N VAL A 35 -16.250 -6.565 2.214 1.00 0.00 N ATOM 480 CA VAL A 35 -15.234 -6.610 3.259 1.00 0.00 C ATOM 481 C VAL A 35 -15.671 -5.814 4.484 1.00 0.00 C ATOM 482 O VAL A 35 -16.421 -4.844 4.372 1.00 0.00 O ATOM 483 CB VAL A 35 -13.886 -6.059 2.756 1.00 0.00 C ATOM 484 CG1 VAL A 35 -12.800 -6.270 3.800 1.00 0.00 C ATOM 485 CG2 VAL A 35 -13.504 -6.712 1.437 1.00 0.00 C ATOM 0 H VAL A 35 -16.443 -5.630 1.854 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.109 -7.657 3.535 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.990 -4.987 2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.855 -5.875 3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.073 -5.751 4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.693 -7.336 4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.549 -6.311 1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.416 -7.790 1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.272 -6.504 0.692 1.00 0.00 H new ATOM 495 N ARG A 36 -15.195 -6.230 5.653 1.00 0.00 N ATOM 496 CA ARG A 36 -15.537 -5.556 6.900 1.00 0.00 C ATOM 497 C ARG A 36 -14.475 -4.525 7.270 1.00 0.00 C ATOM 498 O ARG A 36 -14.790 -3.445 7.771 1.00 0.00 O ATOM 499 CB ARG A 36 -15.689 -6.576 8.030 1.00 0.00 C ATOM 500 CG ARG A 36 -14.503 -7.517 8.166 1.00 0.00 C ATOM 501 CD ARG A 36 -14.440 -8.139 9.552 1.00 0.00 C ATOM 502 NE ARG A 36 -14.130 -7.151 10.582 1.00 0.00 N ATOM 503 CZ ARG A 36 -13.747 -7.469 11.813 1.00 0.00 C ATOM 504 NH1 ARG A 36 -13.627 -8.741 12.166 1.00 0.00 N ATOM 505 NH2 ARG A 36 -13.483 -6.512 12.695 1.00 0.00 N ATOM 0 H ARG A 36 -14.572 -7.030 5.763 1.00 0.00 H new ATOM 0 HA ARG A 36 -16.486 -5.039 6.756 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -15.830 -6.044 8.971 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -16.591 -7.164 7.858 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.574 -8.304 7.416 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.580 -6.972 7.969 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.395 -8.613 9.780 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.684 -8.924 9.563 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.212 -6.163 10.343 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.829 -9.479 11.491 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.333 -8.982 13.112 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.574 -5.532 12.427 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.189 -6.757 13.640 1.00 0.00 H new ATOM 519 N LEU A 37 -13.215 -4.866 7.020 1.00 0.00 N ATOM 520 CA LEU A 37 -12.105 -3.970 7.327 1.00 0.00 C ATOM 521 C LEU A 37 -10.926 -4.225 6.393 1.00 0.00 C ATOM 522 O LEU A 37 -10.738 -5.338 5.903 1.00 0.00 O ATOM 523 CB LEU A 37 -11.667 -4.150 8.782 1.00 0.00 C ATOM 524 CG LEU A 37 -10.720 -3.083 9.333 1.00 0.00 C ATOM 525 CD1 LEU A 37 -11.424 -1.738 9.421 1.00 0.00 C ATOM 526 CD2 LEU A 37 -10.186 -3.498 10.697 1.00 0.00 C ATOM 0 H LEU A 37 -12.937 -5.756 6.606 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.445 -2.945 7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.558 -4.175 9.409 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.183 -5.122 8.877 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.877 -2.984 8.649 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.734 -0.992 9.815 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.757 -1.436 8.428 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.286 -1.821 10.083 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.514 -2.727 11.074 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.018 -3.625 11.390 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.644 -4.439 10.605 1.00 0.00 H new ATOM 538 N VAL A 38 -10.133 -3.186 6.154 1.00 0.00 N ATOM 539 CA VAL A 38 -8.969 -3.297 5.282 1.00 0.00 C ATOM 540 C VAL A 38 -7.715 -2.769 5.969 1.00 0.00 C ATOM 541 O VAL A 38 -7.564 -1.563 6.166 1.00 0.00 O ATOM 542 CB VAL A 38 -9.181 -2.530 3.963 1.00 0.00 C ATOM 543 CG1 VAL A 38 -8.036 -2.800 2.999 1.00 0.00 C ATOM 544 CG2 VAL A 38 -10.516 -2.905 3.338 1.00 0.00 C ATOM 0 H VAL A 38 -10.275 -2.258 6.552 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.839 -4.356 5.061 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.196 -1.462 4.181 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.203 -2.250 2.073 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.097 -2.477 3.449 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.986 -3.867 2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.649 -2.354 2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.533 -3.975 3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.323 -2.655 4.027 1.00 0.00 H new ATOM 554 N ARG A 39 -6.817 -3.679 6.331 1.00 0.00 N ATOM 555 CA ARG A 39 -5.576 -3.305 6.997 1.00 0.00 C ATOM 556 C ARG A 39 -4.411 -3.296 6.011 1.00 0.00 C ATOM 557 O ARG A 39 -3.958 -4.348 5.559 1.00 0.00 O ATOM 558 CB ARG A 39 -5.277 -4.271 8.146 1.00 0.00 C ATOM 559 CG ARG A 39 -4.487 -3.641 9.281 1.00 0.00 C ATOM 560 CD ARG A 39 -4.671 -4.408 10.581 1.00 0.00 C ATOM 561 NE ARG A 39 -5.861 -3.975 11.308 1.00 0.00 N ATOM 562 CZ ARG A 39 -6.346 -4.610 12.370 1.00 0.00 C ATOM 563 NH1 ARG A 39 -5.744 -5.700 12.826 1.00 0.00 N ATOM 564 NH2 ARG A 39 -7.433 -4.154 12.977 1.00 0.00 N ATOM 0 H ARG A 39 -6.926 -4.681 6.174 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.698 -2.299 7.399 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.218 -4.656 8.539 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.721 -5.124 7.757 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.429 -3.615 9.019 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.806 -2.608 9.418 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.746 -5.474 10.366 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.792 -4.271 11.210 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.347 -3.139 10.983 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.907 -6.053 12.362 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.118 -6.186 13.641 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.898 -3.315 12.629 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.805 -4.642 13.792 1.00 0.00 H new ATOM 578 N VAL A 40 -3.932 -2.101 5.681 1.00 0.00 N ATOM 579 CA VAL A 40 -2.820 -1.954 4.749 1.00 0.00 C ATOM 580 C VAL A 40 -1.509 -1.721 5.490 1.00 0.00 C ATOM 581 O VAL A 40 -1.489 -1.131 6.571 1.00 0.00 O ATOM 582 CB VAL A 40 -3.058 -0.788 3.770 1.00 0.00 C ATOM 583 CG1 VAL A 40 -1.891 -0.655 2.804 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.366 -0.984 3.017 1.00 0.00 C ATOM 0 H VAL A 40 -4.296 -1.221 6.045 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.755 -2.885 4.185 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.130 0.136 4.343 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.077 0.173 2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.975 -0.465 3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.783 -1.578 2.234 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.519 -0.152 2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.326 -1.916 2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.192 -1.024 3.727 1.00 0.00 H new ATOM 594 N THR A 41 -0.412 -2.189 4.902 1.00 0.00 N ATOM 595 CA THR A 41 0.905 -2.033 5.506 1.00 0.00 C ATOM 596 C THR A 41 1.984 -1.877 4.441 1.00 0.00 C ATOM 597 O THR A 41 2.104 -2.707 3.539 1.00 0.00 O ATOM 598 CB THR A 41 1.257 -3.233 6.405 1.00 0.00 C ATOM 599 OG1 THR A 41 1.290 -4.435 5.627 1.00 0.00 O ATOM 600 CG2 THR A 41 0.244 -3.380 7.531 1.00 0.00 C ATOM 0 H THR A 41 -0.410 -2.679 4.008 1.00 0.00 H new ATOM 0 HA THR A 41 0.867 -1.130 6.116 1.00 0.00 H new ATOM 0 HB THR A 41 2.240 -3.056 6.842 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.516 -5.193 6.206 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.513 -4.234 8.153 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.241 -2.475 8.138 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.749 -3.537 7.109 1.00 0.00 H new ATOM 608 N TYR A 42 2.768 -0.811 4.551 1.00 0.00 N ATOM 609 CA TYR A 42 3.837 -0.546 3.595 1.00 0.00 C ATOM 610 C TYR A 42 5.206 -0.704 4.250 1.00 0.00 C ATOM 611 O TYR A 42 5.352 -0.525 5.460 1.00 0.00 O ATOM 612 CB TYR A 42 3.696 0.863 3.017 1.00 0.00 C ATOM 613 CG TYR A 42 3.410 1.919 4.060 1.00 0.00 C ATOM 614 CD1 TYR A 42 2.121 2.123 4.536 1.00 0.00 C ATOM 615 CD2 TYR A 42 4.430 2.713 4.571 1.00 0.00 C ATOM 616 CE1 TYR A 42 1.855 3.088 5.489 1.00 0.00 C ATOM 617 CE2 TYR A 42 4.174 3.679 5.525 1.00 0.00 C ATOM 618 CZ TYR A 42 2.885 3.863 5.980 1.00 0.00 C ATOM 619 OH TYR A 42 2.624 4.824 6.930 1.00 0.00 O ATOM 0 H TYR A 42 2.684 -0.116 5.293 1.00 0.00 H new ATOM 0 HA TYR A 42 3.755 -1.273 2.787 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.614 1.124 2.490 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.893 0.866 2.280 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.313 1.517 4.155 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.440 2.572 4.216 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.847 3.234 5.847 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.979 4.287 5.912 1.00 0.00 H new ATOM 0 HH TYR A 42 3.457 5.281 7.171 1.00 0.00 H new ATOM 629 N VAL A 43 6.206 -1.040 3.443 1.00 0.00 N ATOM 630 CA VAL A 43 7.564 -1.221 3.942 1.00 0.00 C ATOM 631 C VAL A 43 8.593 -0.915 2.859 1.00 0.00 C ATOM 632 O VAL A 43 8.382 -1.217 1.685 1.00 0.00 O ATOM 633 CB VAL A 43 7.787 -2.655 4.455 1.00 0.00 C ATOM 634 CG1 VAL A 43 7.711 -3.651 3.308 1.00 0.00 C ATOM 635 CG2 VAL A 43 9.122 -2.761 5.177 1.00 0.00 C ATOM 0 H VAL A 43 6.102 -1.193 2.440 1.00 0.00 H new ATOM 0 HA VAL A 43 7.692 -0.523 4.769 1.00 0.00 H new ATOM 0 HB VAL A 43 6.996 -2.895 5.165 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.871 -4.659 3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.728 -3.592 2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.479 -3.416 2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.263 -3.782 5.533 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.928 -2.501 4.491 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.132 -2.076 6.025 1.00 0.00 H new ATOM 645 N SER A 44 9.707 -0.313 3.262 1.00 0.00 N ATOM 646 CA SER A 44 10.769 0.037 2.326 1.00 0.00 C ATOM 647 C SER A 44 11.308 -1.207 1.626 1.00 0.00 C ATOM 648 O SER A 44 10.852 -2.321 1.878 1.00 0.00 O ATOM 649 CB SER A 44 11.904 0.758 3.056 1.00 0.00 C ATOM 650 OG SER A 44 12.830 -0.167 3.598 1.00 0.00 O ATOM 0 H SER A 44 9.898 -0.057 4.231 1.00 0.00 H new ATOM 0 HA SER A 44 10.350 0.704 1.572 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.416 1.428 2.366 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.493 1.376 3.854 1.00 0.00 H new ATOM 0 HG SER A 44 13.546 0.319 4.058 1.00 0.00 H new ATOM 714 N SER A 50 8.550 0.887 7.960 1.00 0.00 N ATOM 715 CA SER A 50 7.260 0.297 7.619 1.00 0.00 C ATOM 716 C SER A 50 6.146 0.897 8.472 1.00 0.00 C ATOM 717 O SER A 50 6.395 1.430 9.552 1.00 0.00 O ATOM 718 CB SER A 50 7.303 -1.220 7.809 1.00 0.00 C ATOM 719 OG SER A 50 7.326 -1.561 9.185 1.00 0.00 O ATOM 0 HA SER A 50 7.052 0.519 6.572 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.434 -1.674 7.333 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.186 -1.627 7.315 1.00 0.00 H new ATOM 0 HG SER A 50 7.352 -2.536 9.280 1.00 0.00 H new ATOM 725 N GLY A 51 4.915 0.805 7.977 1.00 0.00 N ATOM 726 CA GLY A 51 3.781 1.342 8.705 1.00 0.00 C ATOM 727 C GLY A 51 2.566 0.439 8.635 1.00 0.00 C ATOM 728 O GLY A 51 2.686 -0.750 8.342 1.00 0.00 O ATOM 0 H GLY A 51 4.684 0.368 7.085 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.060 1.490 9.748 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.525 2.322 8.302 1.00 0.00 H new ATOM 732 N GLN A 52 1.394 1.003 8.907 1.00 0.00 N ATOM 733 CA GLN A 52 0.153 0.239 8.875 1.00 0.00 C ATOM 734 C GLN A 52 -1.056 1.158 9.016 1.00 0.00 C ATOM 735 O GLN A 52 -1.173 1.904 9.989 1.00 0.00 O ATOM 736 CB GLN A 52 0.145 -0.808 9.991 1.00 0.00 C ATOM 737 CG GLN A 52 -1.158 -1.584 10.088 1.00 0.00 C ATOM 738 CD GLN A 52 -1.114 -2.670 11.145 1.00 0.00 C ATOM 739 OE1 GLN A 52 -1.206 -2.392 12.341 1.00 0.00 O ATOM 740 NE2 GLN A 52 -0.972 -3.916 10.708 1.00 0.00 N ATOM 0 H GLN A 52 1.278 1.986 9.152 1.00 0.00 H new ATOM 0 HA GLN A 52 0.092 -0.266 7.911 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.964 -1.508 9.827 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.335 -0.313 10.943 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.971 -0.894 10.315 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.382 -2.033 9.120 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.900 -4.100 9.707 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.935 -4.689 11.373 1.00 0.00 H new ATOM 749 N THR A 53 -1.955 1.100 8.038 1.00 0.00 N ATOM 750 CA THR A 53 -3.154 1.928 8.052 1.00 0.00 C ATOM 751 C THR A 53 -4.413 1.074 7.945 1.00 0.00 C ATOM 752 O THR A 53 -4.381 -0.028 7.398 1.00 0.00 O ATOM 753 CB THR A 53 -3.143 2.952 6.902 1.00 0.00 C ATOM 754 OG1 THR A 53 -4.281 3.816 7.004 1.00 0.00 O ATOM 755 CG2 THR A 53 -3.152 2.251 5.552 1.00 0.00 C ATOM 0 H THR A 53 -1.875 0.488 7.226 1.00 0.00 H new ATOM 0 HA THR A 53 -3.159 2.461 9.003 1.00 0.00 H new ATOM 0 HB THR A 53 -2.230 3.543 6.980 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.266 4.465 6.270 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.144 2.995 4.756 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.269 1.617 5.465 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.049 1.638 5.466 1.00 0.00 H new ATOM 763 N GLU A 54 -5.519 1.591 8.470 1.00 0.00 N ATOM 764 CA GLU A 54 -6.789 0.875 8.433 1.00 0.00 C ATOM 765 C GLU A 54 -7.829 1.651 7.630 1.00 0.00 C ATOM 766 O GLU A 54 -7.930 2.872 7.743 1.00 0.00 O ATOM 767 CB GLU A 54 -7.303 0.629 9.853 1.00 0.00 C ATOM 768 CG GLU A 54 -6.557 -0.471 10.589 1.00 0.00 C ATOM 769 CD GLU A 54 -5.350 0.048 11.345 1.00 0.00 C ATOM 770 OE1 GLU A 54 -4.526 0.760 10.733 1.00 0.00 O ATOM 771 OE2 GLU A 54 -5.228 -0.258 12.550 1.00 0.00 O ATOM 0 H GLU A 54 -5.562 2.502 8.926 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.621 -0.085 7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.225 1.554 10.424 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.361 0.371 9.808 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.236 -0.961 11.288 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.235 -1.228 9.874 1.00 0.00 H new ATOM 778 N ALA A 55 -8.599 0.933 6.820 1.00 0.00 N ATOM 779 CA ALA A 55 -9.632 1.554 5.999 1.00 0.00 C ATOM 780 C ALA A 55 -10.875 0.673 5.923 1.00 0.00 C ATOM 781 O ALA A 55 -10.814 -0.544 6.095 1.00 0.00 O ATOM 782 CB ALA A 55 -9.097 1.837 4.603 1.00 0.00 C ATOM 0 H ALA A 55 -8.528 -0.079 6.714 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.915 2.498 6.466 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.879 2.300 4.001 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.243 2.511 4.670 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.786 0.902 4.136 1.00 0.00 H new ATOM 788 N PRO A 56 -12.030 1.301 5.660 1.00 0.00 N ATOM 789 CA PRO A 56 -13.310 0.594 5.555 1.00 0.00 C ATOM 790 C PRO A 56 -13.388 -0.281 4.309 1.00 0.00 C ATOM 791 O PRO A 56 -12.841 0.062 3.262 1.00 0.00 O ATOM 792 CB PRO A 56 -14.336 1.727 5.479 1.00 0.00 C ATOM 793 CG PRO A 56 -13.581 2.885 4.924 1.00 0.00 C ATOM 794 CD PRO A 56 -12.177 2.751 5.443 1.00 0.00 C ATOM 0 HA PRO A 56 -13.469 -0.088 6.391 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.176 1.458 4.838 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.746 1.956 6.463 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.597 2.875 3.834 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.026 3.829 5.240 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.446 3.126 4.726 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.035 3.312 6.367 1.00 0.00 H new ATOM 802 N GLY A 57 -14.073 -1.414 4.429 1.00 0.00 N ATOM 803 CA GLY A 57 -14.211 -2.321 3.304 1.00 0.00 C ATOM 804 C GLY A 57 -14.765 -1.635 2.071 1.00 0.00 C ATOM 805 O GLY A 57 -14.715 -2.185 0.972 1.00 0.00 O ATOM 0 H GLY A 57 -14.535 -1.720 5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.239 -2.754 3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.868 -3.145 3.584 1.00 0.00 H new ATOM 809 N ASN A 58 -15.298 -0.431 2.255 1.00 0.00 N ATOM 810 CA ASN A 58 -15.867 0.330 1.148 1.00 0.00 C ATOM 811 C ASN A 58 -14.796 1.169 0.458 1.00 0.00 C ATOM 812 O ASN A 58 -14.919 1.504 -0.720 1.00 0.00 O ATOM 813 CB ASN A 58 -16.994 1.234 1.651 1.00 0.00 C ATOM 814 CG ASN A 58 -17.538 2.139 0.562 1.00 0.00 C ATOM 815 OD1 ASN A 58 -18.590 1.868 -0.018 1.00 0.00 O ATOM 816 ND2 ASN A 58 -16.821 3.220 0.278 1.00 0.00 N ATOM 0 H ASN A 58 -15.348 0.038 3.159 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.272 -0.376 0.423 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.802 0.618 2.045 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -16.626 1.844 2.476 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -17.136 3.865 -0.446 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.955 3.405 0.784 1.00 0.00 H new ATOM 823 N ALA A 59 -13.745 1.504 1.199 1.00 0.00 N ATOM 824 CA ALA A 59 -12.651 2.301 0.658 1.00 0.00 C ATOM 825 C ALA A 59 -11.840 1.503 -0.357 1.00 0.00 C ATOM 826 O ALA A 59 -11.170 0.531 -0.006 1.00 0.00 O ATOM 827 CB ALA A 59 -11.753 2.797 1.782 1.00 0.00 C ATOM 0 H ALA A 59 -13.628 1.236 2.176 1.00 0.00 H new ATOM 0 HA ALA A 59 -13.080 3.161 0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.940 3.391 1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.335 3.412 2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.339 1.944 2.320 1.00 0.00 H new ATOM 833 N THR A 60 -11.905 1.918 -1.618 1.00 0.00 N ATOM 834 CA THR A 60 -11.178 1.241 -2.684 1.00 0.00 C ATOM 835 C THR A 60 -9.892 1.982 -3.030 1.00 0.00 C ATOM 836 O THR A 60 -9.353 1.831 -4.126 1.00 0.00 O ATOM 837 CB THR A 60 -12.039 1.109 -3.955 1.00 0.00 C ATOM 838 OG1 THR A 60 -12.656 2.365 -4.261 1.00 0.00 O ATOM 839 CG2 THR A 60 -13.108 0.042 -3.777 1.00 0.00 C ATOM 0 H THR A 60 -12.454 2.720 -1.926 1.00 0.00 H new ATOM 0 HA THR A 60 -10.932 0.245 -2.315 1.00 0.00 H new ATOM 0 HB THR A 60 -11.389 0.814 -4.779 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.200 2.273 -5.071 1.00 0.00 H new ATOM 0 HG21 THR A 60 -13.703 -0.033 -4.687 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.634 -0.918 -3.574 1.00 0.00 H new ATOM 0 HG23 THR A 60 -13.755 0.311 -2.942 1.00 0.00 H new ATOM 847 N SER A 61 -9.404 2.782 -2.087 1.00 0.00 N ATOM 848 CA SER A 61 -8.181 3.550 -2.294 1.00 0.00 C ATOM 849 C SER A 61 -7.712 4.184 -0.988 1.00 0.00 C ATOM 850 O SER A 61 -8.507 4.749 -0.238 1.00 0.00 O ATOM 851 CB SER A 61 -8.407 4.634 -3.349 1.00 0.00 C ATOM 852 OG SER A 61 -9.593 5.363 -3.086 1.00 0.00 O ATOM 0 H SER A 61 -9.836 2.915 -1.173 1.00 0.00 H new ATOM 0 HA SER A 61 -7.407 2.868 -2.645 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.555 5.314 -3.365 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.469 4.177 -4.337 1.00 0.00 H new ATOM 0 HG SER A 61 -9.714 6.051 -3.774 1.00 0.00 H new ATOM 858 N ALA A 62 -6.413 4.086 -0.724 1.00 0.00 N ATOM 859 CA ALA A 62 -5.835 4.652 0.489 1.00 0.00 C ATOM 860 C ALA A 62 -4.497 5.322 0.199 1.00 0.00 C ATOM 861 O ALA A 62 -3.825 4.992 -0.778 1.00 0.00 O ATOM 862 CB ALA A 62 -5.668 3.571 1.547 1.00 0.00 C ATOM 0 H ALA A 62 -5.741 3.620 -1.334 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.518 5.413 0.867 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.235 4.007 2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.641 3.140 1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.008 2.791 1.169 1.00 0.00 H new ATOM 868 N MET A 63 -4.115 6.266 1.053 1.00 0.00 N ATOM 869 CA MET A 63 -2.856 6.982 0.888 1.00 0.00 C ATOM 870 C MET A 63 -1.808 6.474 1.873 1.00 0.00 C ATOM 871 O MET A 63 -2.140 5.849 2.881 1.00 0.00 O ATOM 872 CB MET A 63 -3.070 8.485 1.083 1.00 0.00 C ATOM 873 CG MET A 63 -3.856 9.138 -0.042 1.00 0.00 C ATOM 874 SD MET A 63 -3.401 10.864 -0.296 1.00 0.00 S ATOM 875 CE MET A 63 -1.826 10.681 -1.127 1.00 0.00 C ATOM 0 H MET A 63 -4.660 6.553 1.866 1.00 0.00 H new ATOM 0 HA MET A 63 -2.495 6.802 -0.124 1.00 0.00 H new ATOM 0 HB2 MET A 63 -3.594 8.650 2.024 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.099 8.974 1.168 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.691 8.583 -0.965 1.00 0.00 H new ATOM 0 HG3 MET A 63 -4.921 9.076 0.181 1.00 0.00 H new ATOM 0 HE1 MET A 63 -1.118 11.408 -0.729 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.443 9.674 -0.963 1.00 0.00 H new ATOM 0 HE3 MET A 63 -1.957 10.849 -2.196 1.00 0.00 H new ATOM 885 N LEU A 64 -0.542 6.745 1.574 1.00 0.00 N ATOM 886 CA LEU A 64 0.556 6.314 2.434 1.00 0.00 C ATOM 887 C LEU A 64 1.620 7.402 2.544 1.00 0.00 C ATOM 888 O LEU A 64 1.832 8.174 1.610 1.00 0.00 O ATOM 889 CB LEU A 64 1.180 5.028 1.891 1.00 0.00 C ATOM 890 CG LEU A 64 0.200 3.966 1.390 1.00 0.00 C ATOM 891 CD1 LEU A 64 0.933 2.896 0.595 1.00 0.00 C ATOM 892 CD2 LEU A 64 -0.555 3.344 2.555 1.00 0.00 C ATOM 0 H LEU A 64 -0.250 7.261 0.744 1.00 0.00 H new ATOM 0 HA LEU A 64 0.153 6.123 3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.850 5.290 1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.794 4.586 2.676 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.523 4.448 0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.220 2.149 0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.427 3.354 -0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.678 2.417 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.248 2.591 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.153 2.877 3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.112 4.118 3.082 1.00 0.00 H new ATOM 904 N GLY A 65 2.288 7.454 3.692 1.00 0.00 N ATOM 905 CA GLY A 65 3.324 8.449 3.903 1.00 0.00 C ATOM 906 C GLY A 65 3.446 8.860 5.357 1.00 0.00 C ATOM 907 O GLY A 65 2.685 8.414 6.216 1.00 0.00 O ATOM 0 H GLY A 65 2.131 6.825 4.480 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.279 8.053 3.559 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.107 9.329 3.297 1.00 0.00 H new ATOM 911 N PRO A 66 4.424 9.729 5.650 1.00 0.00 N ATOM 912 CA PRO A 66 5.336 10.266 4.636 1.00 0.00 C ATOM 913 C PRO A 66 6.299 9.210 4.105 1.00 0.00 C ATOM 914 O PRO A 66 6.964 8.517 4.876 1.00 0.00 O ATOM 915 CB PRO A 66 6.101 11.358 5.389 1.00 0.00 C ATOM 916 CG PRO A 66 6.040 10.945 6.819 1.00 0.00 C ATOM 917 CD PRO A 66 4.716 10.254 6.995 1.00 0.00 C ATOM 0 HA PRO A 66 4.801 10.629 3.758 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.132 11.431 5.042 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.644 12.336 5.240 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.865 10.277 7.068 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.120 11.809 7.478 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.775 9.455 7.734 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.944 10.945 7.333 1.00 0.00 H new ATOM 925 N LEU A 67 6.371 9.093 2.783 1.00 0.00 N ATOM 926 CA LEU A 67 7.255 8.121 2.149 1.00 0.00 C ATOM 927 C LEU A 67 8.538 8.787 1.663 1.00 0.00 C ATOM 928 O LEU A 67 8.710 9.999 1.799 1.00 0.00 O ATOM 929 CB LEU A 67 6.542 7.444 0.976 1.00 0.00 C ATOM 930 CG LEU A 67 5.264 6.679 1.319 1.00 0.00 C ATOM 931 CD1 LEU A 67 4.682 6.026 0.075 1.00 0.00 C ATOM 932 CD2 LEU A 67 5.537 5.636 2.392 1.00 0.00 C ATOM 0 H LEU A 67 5.828 9.659 2.130 1.00 0.00 H new ATOM 0 HA LEU A 67 7.518 7.367 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.298 8.206 0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.239 6.753 0.503 1.00 0.00 H new ATOM 0 HG LEU A 67 4.534 7.388 1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.773 5.486 0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.447 6.793 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.408 5.330 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.615 5.102 2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.285 4.930 2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.906 6.128 3.292 1.00 0.00 H new ATOM 944 N SER A 68 9.435 7.988 1.094 1.00 0.00 N ATOM 945 CA SER A 68 10.703 8.501 0.588 1.00 0.00 C ATOM 946 C SER A 68 10.644 8.705 -0.922 1.00 0.00 C ATOM 947 O SER A 68 9.619 8.447 -1.555 1.00 0.00 O ATOM 948 CB SER A 68 11.841 7.540 0.940 1.00 0.00 C ATOM 949 OG SER A 68 13.079 8.225 1.023 1.00 0.00 O ATOM 0 H SER A 68 9.307 6.983 0.972 1.00 0.00 H new ATOM 0 HA SER A 68 10.891 9.466 1.059 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.628 7.051 1.891 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.905 6.756 0.186 1.00 0.00 H new ATOM 0 HG SER A 68 13.790 7.590 1.251 1.00 0.00 H new ATOM 955 N SER A 69 11.749 9.171 -1.494 1.00 0.00 N ATOM 956 CA SER A 69 11.823 9.414 -2.930 1.00 0.00 C ATOM 957 C SER A 69 12.664 8.344 -3.620 1.00 0.00 C ATOM 958 O SER A 69 13.522 7.717 -2.999 1.00 0.00 O ATOM 959 CB SER A 69 12.413 10.799 -3.204 1.00 0.00 C ATOM 960 OG SER A 69 13.731 10.902 -2.693 1.00 0.00 O ATOM 0 H SER A 69 12.606 9.388 -0.985 1.00 0.00 H new ATOM 0 HA SER A 69 10.811 9.371 -3.334 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.420 10.989 -4.277 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.782 11.563 -2.749 1.00 0.00 H new ATOM 0 HG SER A 69 14.086 11.795 -2.882 1.00 0.00 H new ATOM 966 N SER A 70 12.411 8.142 -4.909 1.00 0.00 N ATOM 967 CA SER A 70 13.142 7.146 -5.684 1.00 0.00 C ATOM 968 C SER A 70 13.374 5.882 -4.863 1.00 0.00 C ATOM 969 O SER A 70 14.353 5.164 -5.068 1.00 0.00 O ATOM 970 CB SER A 70 14.482 7.716 -6.154 1.00 0.00 C ATOM 971 OG SER A 70 15.193 6.771 -6.934 1.00 0.00 O ATOM 0 H SER A 70 11.706 8.654 -5.439 1.00 0.00 H new ATOM 0 HA SER A 70 12.540 6.887 -6.555 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.311 8.620 -6.739 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.081 8.004 -5.290 1.00 0.00 H new ATOM 0 HG SER A 70 15.111 5.883 -6.527 1.00 0.00 H new ATOM 977 N THR A 71 12.465 5.615 -3.930 1.00 0.00 N ATOM 978 CA THR A 71 12.570 4.438 -3.076 1.00 0.00 C ATOM 979 C THR A 71 11.350 3.537 -3.229 1.00 0.00 C ATOM 980 O THR A 71 10.214 3.975 -3.048 1.00 0.00 O ATOM 981 CB THR A 71 12.720 4.832 -1.594 1.00 0.00 C ATOM 982 OG1 THR A 71 13.878 5.655 -1.420 1.00 0.00 O ATOM 983 CG2 THR A 71 12.834 3.596 -0.715 1.00 0.00 C ATOM 0 H THR A 71 11.648 6.198 -3.747 1.00 0.00 H new ATOM 0 HA THR A 71 13.461 3.896 -3.393 1.00 0.00 H new ATOM 0 HB THR A 71 11.831 5.389 -1.298 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.695 6.554 -1.764 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.939 3.899 0.327 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.938 2.986 -0.827 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.707 3.016 -1.014 1.00 0.00 H new ATOM 991 N THR A 72 11.592 2.273 -3.564 1.00 0.00 N ATOM 992 CA THR A 72 10.514 1.310 -3.742 1.00 0.00 C ATOM 993 C THR A 72 9.848 0.977 -2.412 1.00 0.00 C ATOM 994 O THR A 72 10.524 0.745 -1.410 1.00 0.00 O ATOM 995 CB THR A 72 11.025 0.008 -4.388 1.00 0.00 C ATOM 996 OG1 THR A 72 11.796 0.309 -5.556 1.00 0.00 O ATOM 997 CG2 THR A 72 9.864 -0.903 -4.761 1.00 0.00 C ATOM 0 H THR A 72 12.526 1.893 -3.717 1.00 0.00 H new ATOM 0 HA THR A 72 9.783 1.773 -4.405 1.00 0.00 H new ATOM 0 HB THR A 72 11.653 -0.509 -3.663 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.118 -0.524 -5.959 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.249 -1.816 -5.215 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.297 -1.155 -3.865 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.213 -0.391 -5.470 1.00 0.00 H new ATOM 1005 N TYR A 73 8.520 0.955 -2.410 1.00 0.00 N ATOM 1006 CA TYR A 73 7.762 0.652 -1.202 1.00 0.00 C ATOM 1007 C TYR A 73 6.821 -0.527 -1.430 1.00 0.00 C ATOM 1008 O TYR A 73 5.904 -0.456 -2.250 1.00 0.00 O ATOM 1009 CB TYR A 73 6.964 1.877 -0.754 1.00 0.00 C ATOM 1010 CG TYR A 73 7.773 2.864 0.057 1.00 0.00 C ATOM 1011 CD1 TYR A 73 7.865 2.749 1.438 1.00 0.00 C ATOM 1012 CD2 TYR A 73 8.447 3.912 -0.559 1.00 0.00 C ATOM 1013 CE1 TYR A 73 8.603 3.649 2.183 1.00 0.00 C ATOM 1014 CE2 TYR A 73 9.189 4.815 0.177 1.00 0.00 C ATOM 1015 CZ TYR A 73 9.263 4.680 1.548 1.00 0.00 C ATOM 1016 OH TYR A 73 10.000 5.578 2.285 1.00 0.00 O ATOM 0 H TYR A 73 7.946 1.143 -3.232 1.00 0.00 H new ATOM 0 HA TYR A 73 8.470 0.382 -0.418 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.566 2.383 -1.634 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.110 1.547 -0.162 1.00 0.00 H new ATOM 0 HD1 TYR A 73 7.351 1.942 1.939 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.389 4.022 -1.632 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.663 3.546 3.256 1.00 0.00 H new ATOM 0 HE2 TYR A 73 9.708 5.622 -0.318 1.00 0.00 H new ATOM 0 HH TYR A 73 10.799 5.134 2.638 1.00 0.00 H new ATOM 1026 N THR A 74 7.053 -1.612 -0.698 1.00 0.00 N ATOM 1027 CA THR A 74 6.228 -2.807 -0.819 1.00 0.00 C ATOM 1028 C THR A 74 4.926 -2.658 -0.039 1.00 0.00 C ATOM 1029 O THR A 74 4.884 -2.890 1.169 1.00 0.00 O ATOM 1030 CB THR A 74 6.973 -4.058 -0.316 1.00 0.00 C ATOM 1031 OG1 THR A 74 8.200 -4.219 -1.036 1.00 0.00 O ATOM 1032 CG2 THR A 74 6.114 -5.302 -0.483 1.00 0.00 C ATOM 0 H THR A 74 7.806 -1.687 -0.014 1.00 0.00 H new ATOM 0 HA THR A 74 6.002 -2.929 -1.878 1.00 0.00 H new ATOM 0 HB THR A 74 7.189 -3.925 0.744 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.669 -5.015 -0.710 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.661 -6.173 -0.121 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.193 -5.188 0.089 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.872 -5.438 -1.537 1.00 0.00 H new ATOM 1040 N VAL A 75 3.864 -2.268 -0.738 1.00 0.00 N ATOM 1041 CA VAL A 75 2.560 -2.090 -0.112 1.00 0.00 C ATOM 1042 C VAL A 75 1.861 -3.429 0.093 1.00 0.00 C ATOM 1043 O VAL A 75 1.922 -4.310 -0.764 1.00 0.00 O ATOM 1044 CB VAL A 75 1.653 -1.174 -0.954 1.00 0.00 C ATOM 1045 CG1 VAL A 75 0.365 -0.863 -0.208 1.00 0.00 C ATOM 1046 CG2 VAL A 75 2.387 0.107 -1.324 1.00 0.00 C ATOM 0 H VAL A 75 3.882 -2.069 -1.738 1.00 0.00 H new ATOM 0 HA VAL A 75 2.736 -1.623 0.857 1.00 0.00 H new ATOM 0 HB VAL A 75 1.393 -1.697 -1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.262 -0.215 -0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.167 -1.791 0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.600 -0.360 0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.732 0.743 -1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.678 0.635 -0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.278 -0.138 -1.903 1.00 0.00 H new ATOM 1056 N ARG A 76 1.197 -3.575 1.235 1.00 0.00 N ATOM 1057 CA ARG A 76 0.486 -4.807 1.554 1.00 0.00 C ATOM 1058 C ARG A 76 -0.922 -4.508 2.059 1.00 0.00 C ATOM 1059 O ARG A 76 -1.110 -4.125 3.214 1.00 0.00 O ATOM 1060 CB ARG A 76 1.257 -5.609 2.604 1.00 0.00 C ATOM 1061 CG ARG A 76 1.067 -7.112 2.483 1.00 0.00 C ATOM 1062 CD ARG A 76 1.205 -7.801 3.832 1.00 0.00 C ATOM 1063 NE ARG A 76 1.480 -9.229 3.691 1.00 0.00 N ATOM 1064 CZ ARG A 76 2.597 -9.714 3.162 1.00 0.00 C ATOM 1065 NH1 ARG A 76 3.540 -8.890 2.725 1.00 0.00 N ATOM 1066 NH2 ARG A 76 2.773 -11.026 3.068 1.00 0.00 N ATOM 0 H ARG A 76 1.137 -2.855 1.955 1.00 0.00 H new ATOM 0 HA ARG A 76 0.407 -5.398 0.641 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.319 -5.377 2.518 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.940 -5.290 3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.083 -7.323 2.064 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.803 -7.518 1.789 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.009 -7.331 4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.288 -7.663 4.405 1.00 0.00 H new ATOM 0 HE ARG A 76 0.775 -9.890 4.017 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.408 -7.881 2.795 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.397 -9.265 2.319 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.050 -11.663 3.402 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.632 -11.398 2.661 1.00 0.00 H new ATOM 1080 N VAL A 77 -1.909 -4.684 1.186 1.00 0.00 N ATOM 1081 CA VAL A 77 -3.300 -4.433 1.543 1.00 0.00 C ATOM 1082 C VAL A 77 -3.978 -5.705 2.040 1.00 0.00 C ATOM 1083 O VAL A 77 -4.149 -6.666 1.288 1.00 0.00 O ATOM 1084 CB VAL A 77 -4.095 -3.874 0.348 1.00 0.00 C ATOM 1085 CG1 VAL A 77 -5.512 -3.517 0.769 1.00 0.00 C ATOM 1086 CG2 VAL A 77 -3.385 -2.665 -0.244 1.00 0.00 C ATOM 0 H VAL A 77 -1.771 -5.000 0.226 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.292 -3.692 2.343 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.154 -4.645 -0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.058 -3.124 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.016 -4.408 1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.479 -2.763 1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.960 -2.282 -1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.294 -1.888 0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.392 -2.957 -0.585 1.00 0.00 H new ATOM 1096 N THR A 78 -4.363 -5.707 3.312 1.00 0.00 N ATOM 1097 CA THR A 78 -5.022 -6.861 3.910 1.00 0.00 C ATOM 1098 C THR A 78 -6.539 -6.711 3.869 1.00 0.00 C ATOM 1099 O THR A 78 -7.094 -5.771 4.439 1.00 0.00 O ATOM 1100 CB THR A 78 -4.577 -7.068 5.370 1.00 0.00 C ATOM 1101 OG1 THR A 78 -3.148 -7.062 5.452 1.00 0.00 O ATOM 1102 CG2 THR A 78 -5.117 -8.380 5.919 1.00 0.00 C ATOM 0 H THR A 78 -4.230 -4.921 3.949 1.00 0.00 H new ATOM 0 HA THR A 78 -4.730 -7.731 3.322 1.00 0.00 H new ATOM 0 HB THR A 78 -4.978 -6.250 5.969 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.828 -6.138 5.521 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.790 -8.505 6.951 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.206 -8.369 5.882 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.742 -9.208 5.317 1.00 0.00 H new ATOM 1110 N CYS A 79 -7.202 -7.642 3.193 1.00 0.00 N ATOM 1111 CA CYS A 79 -8.656 -7.612 3.078 1.00 0.00 C ATOM 1112 C CYS A 79 -9.291 -8.709 3.926 1.00 0.00 C ATOM 1113 O CYS A 79 -9.339 -9.872 3.523 1.00 0.00 O ATOM 1114 CB CYS A 79 -9.076 -7.774 1.616 1.00 0.00 C ATOM 1115 SG CYS A 79 -7.901 -8.709 0.610 1.00 0.00 S ATOM 0 H CYS A 79 -6.757 -8.426 2.717 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.005 -6.647 3.444 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -10.045 -8.272 1.581 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.209 -6.786 1.176 1.00 0.00 H new ATOM 0 HG CYS A 79 -8.345 -8.794 -0.609 1.00 0.00 H new ATOM 1121 N LEU A 80 -9.776 -8.333 5.104 1.00 0.00 N ATOM 1122 CA LEU A 80 -10.407 -9.285 6.012 1.00 0.00 C ATOM 1123 C LEU A 80 -11.927 -9.221 5.898 1.00 0.00 C ATOM 1124 O LEU A 80 -12.558 -8.287 6.393 1.00 0.00 O ATOM 1125 CB LEU A 80 -9.980 -9.005 7.454 1.00 0.00 C ATOM 1126 CG LEU A 80 -8.589 -9.502 7.850 1.00 0.00 C ATOM 1127 CD1 LEU A 80 -7.983 -8.600 8.913 1.00 0.00 C ATOM 1128 CD2 LEU A 80 -8.658 -10.940 8.345 1.00 0.00 C ATOM 0 H LEU A 80 -9.745 -7.375 5.453 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.082 -10.287 5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.021 -7.929 7.621 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.711 -9.460 8.123 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.948 -9.472 6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.993 -8.969 9.182 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.898 -7.585 8.524 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.622 -8.598 9.796 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.659 -11.278 8.622 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.314 -10.995 9.214 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.050 -11.579 7.554 1.00 0.00 H new ATOM 1140 N TYR A 81 -12.508 -10.220 5.244 1.00 0.00 N ATOM 1141 CA TYR A 81 -13.954 -10.277 5.065 1.00 0.00 C ATOM 1142 C TYR A 81 -14.644 -10.735 6.346 1.00 0.00 C ATOM 1143 O TYR A 81 -14.075 -11.458 7.165 1.00 0.00 O ATOM 1144 CB TYR A 81 -14.310 -11.222 3.916 1.00 0.00 C ATOM 1145 CG TYR A 81 -13.477 -11.003 2.673 1.00 0.00 C ATOM 1146 CD1 TYR A 81 -13.586 -9.830 1.936 1.00 0.00 C ATOM 1147 CD2 TYR A 81 -12.579 -11.970 2.236 1.00 0.00 C ATOM 1148 CE1 TYR A 81 -12.827 -9.627 0.800 1.00 0.00 C ATOM 1149 CE2 TYR A 81 -11.816 -11.775 1.101 1.00 0.00 C ATOM 1150 CZ TYR A 81 -11.943 -10.602 0.387 1.00 0.00 C ATOM 1151 OH TYR A 81 -11.185 -10.403 -0.744 1.00 0.00 O ATOM 0 H TYR A 81 -12.000 -11.001 4.829 1.00 0.00 H new ATOM 0 HA TYR A 81 -14.304 -9.273 4.824 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -14.184 -12.252 4.251 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -15.363 -11.095 3.665 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -14.276 -9.064 2.257 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.476 -12.889 2.793 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.925 -8.710 0.238 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -11.124 -12.537 0.775 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.613 -11.184 -0.896 1.00 0.00 H new ATOM 1161 N PRO A 82 -15.902 -10.306 6.526 1.00 0.00 N ATOM 1162 CA PRO A 82 -16.699 -10.660 7.704 1.00 0.00 C ATOM 1163 C PRO A 82 -17.096 -12.132 7.715 1.00 0.00 C ATOM 1164 O PRO A 82 -17.491 -12.686 6.690 1.00 0.00 O ATOM 1165 CB PRO A 82 -17.939 -9.772 7.573 1.00 0.00 C ATOM 1166 CG PRO A 82 -18.053 -9.493 6.114 1.00 0.00 C ATOM 1167 CD PRO A 82 -16.644 -9.442 5.592 1.00 0.00 C ATOM 0 HA PRO A 82 -16.146 -10.509 8.631 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -18.829 -10.276 7.950 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -17.828 -8.851 8.145 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.628 -10.271 5.611 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.570 -8.550 5.936 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.581 -9.810 4.568 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -16.253 -8.424 5.589 1.00 0.00 H new ATOM 1207 N SER A 87 -7.813 -11.932 2.753 1.00 0.00 N ATOM 1208 CA SER A 87 -6.744 -12.059 1.769 1.00 0.00 C ATOM 1209 C SER A 87 -5.786 -10.875 1.852 1.00 0.00 C ATOM 1210 O SER A 87 -5.925 -10.007 2.715 1.00 0.00 O ATOM 1211 CB SER A 87 -7.329 -12.159 0.359 1.00 0.00 C ATOM 1212 OG SER A 87 -6.497 -12.936 -0.484 1.00 0.00 O ATOM 0 HA SER A 87 -6.188 -12.970 1.989 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.323 -12.604 0.405 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.446 -11.160 -0.061 1.00 0.00 H new ATOM 0 HG SER A 87 -6.894 -12.986 -1.379 1.00 0.00 H new ATOM 1218 N THR A 88 -4.812 -10.845 0.947 1.00 0.00 N ATOM 1219 CA THR A 88 -3.830 -9.769 0.917 1.00 0.00 C ATOM 1220 C THR A 88 -3.377 -9.478 -0.509 1.00 0.00 C ATOM 1221 O THR A 88 -3.107 -10.395 -1.285 1.00 0.00 O ATOM 1222 CB THR A 88 -2.597 -10.110 1.775 1.00 0.00 C ATOM 1223 OG1 THR A 88 -3.012 -10.630 3.044 1.00 0.00 O ATOM 1224 CG2 THR A 88 -1.727 -8.880 1.986 1.00 0.00 C ATOM 0 H THR A 88 -4.683 -11.554 0.225 1.00 0.00 H new ATOM 0 HA THR A 88 -4.317 -8.885 1.329 1.00 0.00 H new ATOM 0 HB THR A 88 -2.012 -10.863 1.247 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.223 -10.846 3.583 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.863 -9.146 2.595 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.389 -8.503 1.021 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.305 -8.108 2.494 1.00 0.00 H new ATOM 1232 N LEU A 89 -3.295 -8.196 -0.849 1.00 0.00 N ATOM 1233 CA LEU A 89 -2.874 -7.784 -2.183 1.00 0.00 C ATOM 1234 C LEU A 89 -1.527 -7.069 -2.132 1.00 0.00 C ATOM 1235 O LEU A 89 -1.435 -5.924 -1.689 1.00 0.00 O ATOM 1236 CB LEU A 89 -3.926 -6.868 -2.812 1.00 0.00 C ATOM 1237 CG LEU A 89 -5.106 -7.568 -3.487 1.00 0.00 C ATOM 1238 CD1 LEU A 89 -6.263 -6.598 -3.678 1.00 0.00 C ATOM 1239 CD2 LEU A 89 -4.681 -8.163 -4.821 1.00 0.00 C ATOM 0 H LEU A 89 -3.515 -7.424 -0.219 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.767 -8.679 -2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.316 -6.209 -2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.434 -6.235 -3.550 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.441 -8.379 -2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.094 -7.113 -4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.584 -6.219 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.941 -5.766 -4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.533 -8.657 -5.287 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.320 -7.369 -5.475 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.885 -8.890 -4.658 1.00 0.00 H new ATOM 1251 N THR A 90 -0.483 -7.752 -2.591 1.00 0.00 N ATOM 1252 CA THR A 90 0.859 -7.183 -2.599 1.00 0.00 C ATOM 1253 C THR A 90 1.052 -6.246 -3.786 1.00 0.00 C ATOM 1254 O THR A 90 0.574 -6.517 -4.887 1.00 0.00 O ATOM 1255 CB THR A 90 1.936 -8.283 -2.647 1.00 0.00 C ATOM 1256 OG1 THR A 90 2.016 -8.832 -3.967 1.00 0.00 O ATOM 1257 CG2 THR A 90 1.625 -9.389 -1.650 1.00 0.00 C ATOM 0 H THR A 90 -0.541 -8.700 -2.962 1.00 0.00 H new ATOM 0 HA THR A 90 0.968 -6.619 -1.673 1.00 0.00 H new ATOM 0 HB THR A 90 2.894 -7.835 -2.381 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.704 -9.529 -3.990 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.399 -10.154 -1.702 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.593 -8.973 -0.643 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.659 -9.833 -1.889 1.00 0.00 H new ATOM 1265 N GLY A 91 1.756 -5.142 -3.554 1.00 0.00 N ATOM 1266 CA GLY A 91 2.000 -4.182 -4.615 1.00 0.00 C ATOM 1267 C GLY A 91 3.226 -3.329 -4.354 1.00 0.00 C ATOM 1268 O GLY A 91 3.378 -2.764 -3.271 1.00 0.00 O ATOM 0 H GLY A 91 2.161 -4.895 -2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.124 -4.712 -5.559 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.129 -3.536 -4.724 1.00 0.00 H new ATOM 1272 N ARG A 92 4.103 -3.237 -5.348 1.00 0.00 N ATOM 1273 CA ARG A 92 5.323 -2.450 -5.220 1.00 0.00 C ATOM 1274 C ARG A 92 5.219 -1.152 -6.016 1.00 0.00 C ATOM 1275 O ARG A 92 4.841 -1.159 -7.187 1.00 0.00 O ATOM 1276 CB ARG A 92 6.531 -3.258 -5.699 1.00 0.00 C ATOM 1277 CG ARG A 92 7.155 -4.121 -4.614 1.00 0.00 C ATOM 1278 CD ARG A 92 8.356 -4.892 -5.138 1.00 0.00 C ATOM 1279 NE ARG A 92 8.574 -6.133 -4.400 1.00 0.00 N ATOM 1280 CZ ARG A 92 9.219 -7.182 -4.899 1.00 0.00 C ATOM 1281 NH1 ARG A 92 9.707 -7.139 -6.131 1.00 0.00 N ATOM 1282 NH2 ARG A 92 9.378 -8.276 -4.165 1.00 0.00 N ATOM 0 H ARG A 92 3.991 -3.698 -6.251 1.00 0.00 H new ATOM 0 HA ARG A 92 5.455 -2.202 -4.167 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.225 -3.896 -6.528 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.286 -2.573 -6.086 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.461 -3.492 -3.778 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.411 -4.820 -4.231 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.208 -5.119 -6.194 1.00 0.00 H new ATOM 0 HD3 ARG A 92 9.246 -4.267 -5.068 1.00 0.00 H new ATOM 0 HE ARG A 92 8.211 -6.198 -3.449 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.588 -6.299 -6.698 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.202 -7.945 -6.512 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.005 -8.312 -3.216 1.00 0.00 H new ATOM 0 HH22 ARG A 92 9.873 -9.081 -4.549 1.00 0.00 H new ATOM 1296 N VAL A 93 5.557 -0.040 -5.371 1.00 0.00 N ATOM 1297 CA VAL A 93 5.502 1.266 -6.018 1.00 0.00 C ATOM 1298 C VAL A 93 6.756 2.080 -5.721 1.00 0.00 C ATOM 1299 O VAL A 93 7.188 2.178 -4.572 1.00 0.00 O ATOM 1300 CB VAL A 93 4.265 2.064 -5.567 1.00 0.00 C ATOM 1301 CG1 VAL A 93 4.156 2.068 -4.049 1.00 0.00 C ATOM 1302 CG2 VAL A 93 4.321 3.485 -6.108 1.00 0.00 C ATOM 0 H VAL A 93 5.872 -0.017 -4.401 1.00 0.00 H new ATOM 0 HA VAL A 93 5.436 1.085 -7.091 1.00 0.00 H new ATOM 0 HB VAL A 93 3.376 1.580 -5.971 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.276 2.637 -3.749 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.066 1.043 -3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.048 2.527 -3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.439 4.034 -5.779 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.217 3.981 -5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.347 3.459 -7.197 1.00 0.00 H new ATOM 1312 N THR A 94 7.337 2.665 -6.764 1.00 0.00 N ATOM 1313 CA THR A 94 8.542 3.471 -6.615 1.00 0.00 C ATOM 1314 C THR A 94 8.201 4.951 -6.492 1.00 0.00 C ATOM 1315 O THR A 94 7.770 5.583 -7.458 1.00 0.00 O ATOM 1316 CB THR A 94 9.500 3.273 -7.804 1.00 0.00 C ATOM 1317 OG1 THR A 94 9.848 1.889 -7.928 1.00 0.00 O ATOM 1318 CG2 THR A 94 10.762 4.104 -7.626 1.00 0.00 C ATOM 0 H THR A 94 6.992 2.595 -7.721 1.00 0.00 H new ATOM 0 HA THR A 94 9.035 3.138 -5.702 1.00 0.00 H new ATOM 0 HB THR A 94 8.992 3.602 -8.710 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.456 1.771 -8.687 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.424 3.948 -8.478 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.497 5.159 -7.561 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.271 3.801 -6.711 1.00 0.00 H new ATOM 1326 N THR A 95 8.397 5.502 -5.298 1.00 0.00 N ATOM 1327 CA THR A 95 8.110 6.909 -5.049 1.00 0.00 C ATOM 1328 C THR A 95 8.829 7.803 -6.053 1.00 0.00 C ATOM 1329 O THR A 95 9.920 7.477 -6.521 1.00 0.00 O ATOM 1330 CB THR A 95 8.523 7.323 -3.624 1.00 0.00 C ATOM 1331 OG1 THR A 95 9.745 6.672 -3.259 1.00 0.00 O ATOM 1332 CG2 THR A 95 7.435 6.968 -2.621 1.00 0.00 C ATOM 0 H THR A 95 8.754 4.995 -4.488 1.00 0.00 H new ATOM 0 HA THR A 95 7.033 7.036 -5.159 1.00 0.00 H new ATOM 0 HB THR A 95 8.669 8.403 -3.611 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.950 6.863 -2.320 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.749 7.270 -1.622 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.514 7.488 -2.884 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.262 5.892 -2.638 1.00 0.00 H new ATOM 1340 N LYS A 96 8.211 8.932 -6.381 1.00 0.00 N ATOM 1341 CA LYS A 96 8.792 9.876 -7.329 1.00 0.00 C ATOM 1342 C LYS A 96 10.113 10.429 -6.805 1.00 0.00 C ATOM 1343 O LYS A 96 10.509 10.153 -5.673 1.00 0.00 O ATOM 1344 CB LYS A 96 7.817 11.024 -7.600 1.00 0.00 C ATOM 1345 CG LYS A 96 6.506 10.575 -8.222 1.00 0.00 C ATOM 1346 CD LYS A 96 5.946 11.629 -9.163 1.00 0.00 C ATOM 1347 CE LYS A 96 5.206 10.996 -10.331 1.00 0.00 C ATOM 1348 NZ LYS A 96 6.097 10.789 -11.506 1.00 0.00 N ATOM 0 H LYS A 96 7.307 9.216 -6.004 1.00 0.00 H new ATOM 0 HA LYS A 96 8.985 9.345 -8.261 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.607 11.540 -6.663 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.295 11.747 -8.262 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.661 9.644 -8.768 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.781 10.366 -7.435 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.270 12.285 -8.615 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.758 12.251 -9.539 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.787 10.039 -10.020 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.369 11.632 -10.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.555 10.356 -12.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.477 11.705 -11.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.882 10.161 -11.240 1.00 0.00 H new ATOM 1362 N LYS A 97 10.791 11.214 -7.636 1.00 0.00 N ATOM 1363 CA LYS A 97 12.067 11.810 -7.256 1.00 0.00 C ATOM 1364 C LYS A 97 11.855 13.140 -6.541 1.00 0.00 C ATOM 1365 O LYS A 97 11.092 13.988 -7.002 1.00 0.00 O ATOM 1366 CB LYS A 97 12.945 12.017 -8.492 1.00 0.00 C ATOM 1367 CG LYS A 97 13.748 10.788 -8.881 1.00 0.00 C ATOM 1368 CD LYS A 97 12.956 9.871 -9.797 1.00 0.00 C ATOM 1369 CE LYS A 97 12.138 8.863 -9.004 1.00 0.00 C ATOM 1370 NZ LYS A 97 11.952 7.589 -9.752 1.00 0.00 N ATOM 0 H LYS A 97 10.478 11.452 -8.577 1.00 0.00 H new ATOM 0 HA LYS A 97 12.569 11.126 -6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.313 12.308 -9.331 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.630 12.844 -8.306 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.667 11.096 -9.379 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.039 10.243 -7.983 1.00 0.00 H new ATOM 0 HD2 LYS A 97 12.293 10.466 -10.425 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.638 9.344 -10.464 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.634 8.658 -8.056 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.164 9.291 -8.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.390 6.928 -9.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.456 7.780 -10.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.881 7.167 -9.955 1.00 0.00 H new ATOM 1384 N ALA A 98 12.536 13.316 -5.413 1.00 0.00 N ATOM 1385 CA ALA A 98 12.425 14.545 -4.637 1.00 0.00 C ATOM 1386 C ALA A 98 13.258 15.662 -5.255 1.00 0.00 C ATOM 1387 O ALA A 98 14.337 15.434 -5.803 1.00 0.00 O ATOM 1388 CB ALA A 98 12.852 14.300 -3.197 1.00 0.00 C ATOM 0 H ALA A 98 13.170 12.623 -5.016 1.00 0.00 H new ATOM 0 HA ALA A 98 11.381 14.859 -4.647 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.764 15.226 -2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.211 13.539 -2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.887 13.959 -3.177 1.00 0.00 H new