USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 639 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 25 GLN : amide:sc= -8.58! C(o=-11!,f=-22!) USER MOD Set 1.2: A 27 ASN : amide:sc= -2.08 K(o=-11,f=-12!) USER MOD Set 1.3: A 62 SER OG : rot 180:sc= -0.231 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 23 CYS SG : rot 180:sc= -1.66 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 11 CYS SG : rot -150:sc= -1.14 USER MOD Single : A 12 LYS NZ :NH3+ -149:sc= -0.123 (180deg=-1.07) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 52:sc= -0.253 USER MOD Single : A 20 SER OG : rot 31:sc= 0.57 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 41 TYR OH : rot 90:sc= -0.211 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 160:sc= -3.06! (180deg=-3.23!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.51 USER MOD Single : A 57 CYS SG : rot 8:sc= 0.857 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 63:sc= 0.343 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00408 USER MOD Single : A 74 TYR OH : rot 120:sc= 0.624 USER MOD Single : A 75 TYR OH : rot 69:sc= 0.761 USER MOD Single : A 76 CYS SG : rot 4:sc= 0.0252 USER MOD Single : A 79 GLN :FLIP amide:sc= -4.57! C(o=-5.4!,f=-4.6!) USER MOD Single : A 82 SER OG : rot -100:sc= -0.891 USER MOD Single : A 90 SER OG : rot 110:sc= 0 USER MOD Single : A 95 CYS SG : rot 170:sc= -0.884 USER MOD Single : A 97 THR OG1 : rot -168:sc= 1.19 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -11.577 -12.707 1.669 1.00 0.00 N ATOM 67 CA PRO A 8 -10.533 -13.113 0.723 1.00 0.00 C ATOM 68 C PRO A 8 -9.244 -13.528 1.426 1.00 0.00 C ATOM 69 O PRO A 8 -9.132 -13.430 2.647 1.00 0.00 O ATOM 70 CB PRO A 8 -10.303 -11.851 -0.113 1.00 0.00 C ATOM 71 CG PRO A 8 -10.720 -10.728 0.773 1.00 0.00 C ATOM 72 CD PRO A 8 -11.846 -11.261 1.614 1.00 0.00 C ATOM 0 HA PRO A 8 -10.830 -13.982 0.136 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.258 -11.756 -0.407 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.892 -11.871 -1.030 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.891 -10.395 1.397 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.044 -9.868 0.187 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.850 -10.815 2.609 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.817 -11.050 1.166 1.00 0.00 H new ATOM 80 N ASP A 9 -8.274 -13.992 0.645 1.00 0.00 N ATOM 81 CA ASP A 9 -6.993 -14.422 1.192 1.00 0.00 C ATOM 82 C ASP A 9 -6.079 -13.225 1.440 1.00 0.00 C ATOM 83 O ASP A 9 -6.288 -12.148 0.882 1.00 0.00 O ATOM 84 CB ASP A 9 -6.313 -15.409 0.241 1.00 0.00 C ATOM 85 CG ASP A 9 -5.379 -16.360 0.965 1.00 0.00 C ATOM 86 OD1 ASP A 9 -5.880 -17.271 1.657 1.00 0.00 O ATOM 87 OD2 ASP A 9 -4.148 -16.192 0.841 1.00 0.00 O ATOM 0 H ASP A 9 -8.351 -14.080 -0.368 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.181 -14.918 2.144 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.074 -15.983 -0.287 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.752 -14.856 -0.512 1.00 0.00 H new ATOM 92 N GLN A 10 -5.068 -13.422 2.280 1.00 0.00 N ATOM 93 CA GLN A 10 -4.125 -12.358 2.603 1.00 0.00 C ATOM 94 C GLN A 10 -3.676 -11.628 1.342 1.00 0.00 C ATOM 95 O GLN A 10 -3.605 -12.218 0.263 1.00 0.00 O ATOM 96 CB GLN A 10 -2.910 -12.930 3.336 1.00 0.00 C ATOM 97 CG GLN A 10 -1.962 -11.866 3.864 1.00 0.00 C ATOM 98 CD GLN A 10 -0.623 -12.436 4.288 1.00 0.00 C ATOM 99 OE1 GLN A 10 -0.481 -13.645 4.473 1.00 0.00 O ATOM 100 NE2 GLN A 10 0.368 -11.567 4.445 1.00 0.00 N ATOM 0 H GLN A 10 -4.881 -14.308 2.749 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.630 -11.644 3.254 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.254 -13.544 4.169 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.364 -13.588 2.659 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.804 -11.111 3.094 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.424 -11.363 4.713 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.206 -10.573 4.281 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.292 -11.893 4.730 1.00 0.00 H new ATOM 109 N CYS A 11 -3.373 -10.343 1.484 1.00 0.00 N ATOM 110 CA CYS A 11 -2.932 -9.531 0.355 1.00 0.00 C ATOM 111 C CYS A 11 -1.409 -9.515 0.260 1.00 0.00 C ATOM 112 O CYS A 11 -0.714 -9.389 1.269 1.00 0.00 O ATOM 113 CB CYS A 11 -3.462 -8.103 0.489 1.00 0.00 C ATOM 114 SG CYS A 11 -5.168 -7.894 -0.073 1.00 0.00 S ATOM 0 H CYS A 11 -3.424 -9.840 2.370 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.331 -9.974 -0.558 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.395 -7.798 1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.818 -7.433 -0.081 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.332 -6.685 -0.521 1.00 0.00 H new ATOM 120 N LYS A 12 -0.897 -9.645 -0.959 1.00 0.00 N ATOM 121 CA LYS A 12 0.543 -9.646 -1.187 1.00 0.00 C ATOM 122 C LYS A 12 1.116 -8.237 -1.060 1.00 0.00 C ATOM 123 O LYS A 12 0.431 -7.240 -1.291 1.00 0.00 O ATOM 124 CB LYS A 12 0.860 -10.212 -2.574 1.00 0.00 C ATOM 125 CG LYS A 12 0.538 -9.258 -3.710 1.00 0.00 C ATOM 126 CD LYS A 12 1.450 -9.482 -4.903 1.00 0.00 C ATOM 127 CE LYS A 12 0.989 -10.664 -5.742 1.00 0.00 C ATOM 128 NZ LYS A 12 1.388 -11.964 -5.134 1.00 0.00 N ATOM 0 H LYS A 12 -1.458 -9.751 -1.804 1.00 0.00 H new ATOM 0 HA LYS A 12 1.005 -10.277 -0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.918 -10.471 -2.618 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.299 -11.136 -2.717 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.500 -9.391 -4.015 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.639 -8.230 -3.362 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.472 -8.583 -5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.469 -9.656 -4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.095 -10.631 -5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.413 -10.586 -6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.551 -12.664 -5.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.262 -11.837 -4.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.630 -12.301 -4.506 1.00 0.00 H new ATOM 142 N PRO A 13 2.400 -8.151 -0.684 1.00 0.00 N ATOM 143 CA PRO A 13 3.092 -6.869 -0.519 1.00 0.00 C ATOM 144 C PRO A 13 3.332 -6.165 -1.851 1.00 0.00 C ATOM 145 O PRO A 13 3.889 -6.733 -2.790 1.00 0.00 O ATOM 146 CB PRO A 13 4.424 -7.266 0.123 1.00 0.00 C ATOM 147 CG PRO A 13 4.642 -8.678 -0.298 1.00 0.00 C ATOM 148 CD PRO A 13 3.275 -9.298 -0.392 1.00 0.00 C ATOM 0 HA PRO A 13 2.510 -6.164 0.075 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.235 -6.622 -0.217 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.382 -7.179 1.209 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.158 -8.724 -1.257 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.263 -9.209 0.424 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.228 -10.050 -1.180 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.993 -9.792 0.538 1.00 0.00 H new ATOM 156 N PRO A 14 2.903 -4.897 -1.936 1.00 0.00 N ATOM 157 CA PRO A 14 3.062 -4.087 -3.147 1.00 0.00 C ATOM 158 C PRO A 14 4.517 -3.716 -3.410 1.00 0.00 C ATOM 159 O PRO A 14 5.389 -3.954 -2.574 1.00 0.00 O ATOM 160 CB PRO A 14 2.236 -2.834 -2.847 1.00 0.00 C ATOM 161 CG PRO A 14 2.217 -2.740 -1.361 1.00 0.00 C ATOM 162 CD PRO A 14 2.231 -4.156 -0.855 1.00 0.00 C ATOM 0 HA PRO A 14 2.740 -4.622 -4.040 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.685 -1.947 -3.294 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.227 -2.919 -3.251 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.081 -2.186 -0.994 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.329 -2.211 -1.015 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.772 -4.241 0.087 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.222 -4.530 -0.678 1.00 0.00 H new ATOM 170 N GLN A 15 4.773 -3.131 -4.576 1.00 0.00 N ATOM 171 CA GLN A 15 6.123 -2.727 -4.948 1.00 0.00 C ATOM 172 C GLN A 15 6.278 -1.211 -4.876 1.00 0.00 C ATOM 173 O GLN A 15 5.604 -0.474 -5.595 1.00 0.00 O ATOM 174 CB GLN A 15 6.456 -3.219 -6.357 1.00 0.00 C ATOM 175 CG GLN A 15 7.799 -2.729 -6.872 1.00 0.00 C ATOM 176 CD GLN A 15 7.972 -2.957 -8.361 1.00 0.00 C ATOM 177 OE1 GLN A 15 8.581 -3.940 -8.783 1.00 0.00 O ATOM 178 NE2 GLN A 15 7.436 -2.046 -9.166 1.00 0.00 N ATOM 0 H GLN A 15 4.063 -2.926 -5.279 1.00 0.00 H new ATOM 0 HA GLN A 15 6.817 -3.179 -4.240 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.450 -4.309 -6.363 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.673 -2.892 -7.041 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.900 -1.665 -6.657 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.598 -3.240 -6.335 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.940 -1.247 -8.772 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.521 -2.146 -10.178 1.00 0.00 H new ATOM 187 N VAL A 16 7.169 -0.753 -4.002 1.00 0.00 N ATOM 188 CA VAL A 16 7.412 0.675 -3.837 1.00 0.00 C ATOM 189 C VAL A 16 8.569 1.141 -4.714 1.00 0.00 C ATOM 190 O VAL A 16 9.541 0.411 -4.918 1.00 0.00 O ATOM 191 CB VAL A 16 7.720 1.026 -2.369 1.00 0.00 C ATOM 192 CG1 VAL A 16 6.482 0.844 -1.505 1.00 0.00 C ATOM 193 CG2 VAL A 16 8.871 0.178 -1.850 1.00 0.00 C ATOM 0 H VAL A 16 7.734 -1.350 -3.398 1.00 0.00 H new ATOM 0 HA VAL A 16 6.500 1.189 -4.142 1.00 0.00 H new ATOM 0 HB VAL A 16 8.018 2.073 -2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.719 1.097 -0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.688 1.498 -1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.151 -0.193 -1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.076 0.439 -0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.603 -0.877 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.760 0.363 -2.453 1.00 0.00 H new ATOM 203 N THR A 17 8.462 2.362 -5.227 1.00 0.00 N ATOM 204 CA THR A 17 9.499 2.925 -6.082 1.00 0.00 C ATOM 205 C THR A 17 9.744 4.393 -5.754 1.00 0.00 C ATOM 206 O THR A 17 8.927 5.256 -6.075 1.00 0.00 O ATOM 207 CB THR A 17 9.129 2.799 -7.573 1.00 0.00 C ATOM 208 OG1 THR A 17 8.889 1.427 -7.903 1.00 0.00 O ATOM 209 CG2 THR A 17 10.239 3.352 -8.454 1.00 0.00 C ATOM 0 H THR A 17 7.667 2.980 -5.065 1.00 0.00 H new ATOM 0 HA THR A 17 10.409 2.356 -5.892 1.00 0.00 H new ATOM 0 HB THR A 17 8.223 3.379 -7.751 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.653 1.355 -8.851 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.956 3.252 -9.502 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.399 4.404 -8.220 1.00 0.00 H new ATOM 0 HG23 THR A 17 11.159 2.796 -8.272 1.00 0.00 H new ATOM 217 N CYS A 18 10.875 4.671 -5.113 1.00 0.00 N ATOM 218 CA CYS A 18 11.228 6.036 -4.741 1.00 0.00 C ATOM 219 C CYS A 18 11.469 6.892 -5.980 1.00 0.00 C ATOM 220 O CYS A 18 12.613 7.162 -6.346 1.00 0.00 O ATOM 221 CB CYS A 18 12.474 6.038 -3.854 1.00 0.00 C ATOM 222 SG CYS A 18 13.899 5.195 -4.579 1.00 0.00 S ATOM 0 H CYS A 18 11.563 3.969 -4.840 1.00 0.00 H new ATOM 0 HA CYS A 18 10.394 6.463 -4.184 1.00 0.00 H new ATOM 0 HB2 CYS A 18 12.749 7.070 -3.635 1.00 0.00 H new ATOM 0 HB3 CYS A 18 12.230 5.564 -2.903 1.00 0.00 H new ATOM 0 HG CYS A 18 14.118 5.661 -5.773 1.00 0.00 H new ATOM 228 N ARG A 19 10.384 7.313 -6.621 1.00 0.00 N ATOM 229 CA ARG A 19 10.478 8.136 -7.821 1.00 0.00 C ATOM 230 C ARG A 19 11.502 9.253 -7.636 1.00 0.00 C ATOM 231 O ARG A 19 12.233 9.598 -8.564 1.00 0.00 O ATOM 232 CB ARG A 19 9.112 8.735 -8.163 1.00 0.00 C ATOM 233 CG ARG A 19 8.069 7.695 -8.540 1.00 0.00 C ATOM 234 CD ARG A 19 8.072 7.419 -10.035 1.00 0.00 C ATOM 235 NE ARG A 19 6.790 6.894 -10.497 1.00 0.00 N ATOM 236 CZ ARG A 19 6.625 6.277 -11.662 1.00 0.00 C ATOM 237 NH1 ARG A 19 7.656 6.106 -12.477 1.00 0.00 N ATOM 238 NH2 ARG A 19 5.426 5.827 -12.012 1.00 0.00 N ATOM 0 H ARG A 19 9.430 7.098 -6.330 1.00 0.00 H new ATOM 0 HA ARG A 19 10.805 7.499 -8.643 1.00 0.00 H new ATOM 0 HB2 ARG A 19 8.751 9.306 -7.308 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.229 9.437 -8.989 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.264 6.770 -7.998 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.082 8.041 -8.235 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.302 8.339 -10.573 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.862 6.706 -10.270 1.00 0.00 H new ATOM 0 HE ARG A 19 5.977 7.007 -9.892 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.579 6.448 -12.210 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.526 5.632 -13.371 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.631 5.955 -11.386 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.300 5.353 -12.907 1.00 0.00 H new ATOM 252 N SER A 20 11.547 9.814 -6.432 1.00 0.00 N ATOM 253 CA SER A 20 12.478 10.894 -6.126 1.00 0.00 C ATOM 254 C SER A 20 12.724 10.989 -4.624 1.00 0.00 C ATOM 255 O SER A 20 12.228 10.173 -3.849 1.00 0.00 O ATOM 256 CB SER A 20 11.938 12.225 -6.652 1.00 0.00 C ATOM 257 OG SER A 20 12.328 12.438 -7.997 1.00 0.00 O ATOM 0 H SER A 20 10.950 9.539 -5.652 1.00 0.00 H new ATOM 0 HA SER A 20 13.426 10.675 -6.618 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.850 12.234 -6.580 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.305 13.041 -6.030 1.00 0.00 H new ATOM 0 HG SER A 20 12.413 11.575 -8.454 1.00 0.00 H new ATOM 263 N ALA A 21 13.494 11.994 -4.220 1.00 0.00 N ATOM 264 CA ALA A 21 13.806 12.200 -2.811 1.00 0.00 C ATOM 265 C ALA A 21 12.547 12.519 -2.012 1.00 0.00 C ATOM 266 O ALA A 21 12.429 12.146 -0.843 1.00 0.00 O ATOM 267 CB ALA A 21 14.829 13.315 -2.654 1.00 0.00 C ATOM 0 H ALA A 21 13.913 12.679 -4.849 1.00 0.00 H new ATOM 0 HA ALA A 21 14.230 11.275 -2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.052 13.458 -1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.743 13.048 -3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.426 14.239 -3.068 1.00 0.00 H new ATOM 273 N THR A 22 11.607 13.211 -2.647 1.00 0.00 N ATOM 274 CA THR A 22 10.358 13.581 -1.994 1.00 0.00 C ATOM 275 C THR A 22 9.158 13.004 -2.736 1.00 0.00 C ATOM 276 O THR A 22 8.055 13.549 -2.673 1.00 0.00 O ATOM 277 CB THR A 22 10.203 15.111 -1.903 1.00 0.00 C ATOM 278 OG1 THR A 22 9.940 15.655 -3.202 1.00 0.00 O ATOM 279 CG2 THR A 22 11.459 15.749 -1.326 1.00 0.00 C ATOM 0 H THR A 22 11.687 13.527 -3.614 1.00 0.00 H new ATOM 0 HA THR A 22 10.393 13.166 -0.987 1.00 0.00 H new ATOM 0 HB THR A 22 9.365 15.330 -1.241 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.841 16.628 -3.135 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.326 16.829 -1.271 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.641 15.355 -0.326 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.311 15.520 -1.967 1.00 0.00 H new ATOM 287 N CYS A 23 9.378 11.899 -3.439 1.00 0.00 N ATOM 288 CA CYS A 23 8.314 11.248 -4.194 1.00 0.00 C ATOM 289 C CYS A 23 8.409 9.730 -4.071 1.00 0.00 C ATOM 290 O CYS A 23 9.478 9.186 -3.793 1.00 0.00 O ATOM 291 CB CYS A 23 8.380 11.656 -5.666 1.00 0.00 C ATOM 292 SG CYS A 23 8.576 13.435 -5.931 1.00 0.00 S ATOM 0 H CYS A 23 10.284 11.435 -3.502 1.00 0.00 H new ATOM 0 HA CYS A 23 7.359 11.570 -3.778 1.00 0.00 H new ATOM 0 HB2 CYS A 23 9.212 11.135 -6.139 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.470 11.323 -6.165 1.00 0.00 H new ATOM 0 HG CYS A 23 8.624 13.681 -7.207 1.00 0.00 H new ATOM 298 N ALA A 24 7.285 9.053 -4.277 1.00 0.00 N ATOM 299 CA ALA A 24 7.242 7.599 -4.191 1.00 0.00 C ATOM 300 C ALA A 24 6.052 7.037 -4.961 1.00 0.00 C ATOM 301 O ALA A 24 5.079 7.744 -5.218 1.00 0.00 O ATOM 302 CB ALA A 24 7.186 7.160 -2.735 1.00 0.00 C ATOM 0 H ALA A 24 6.391 9.489 -4.505 1.00 0.00 H new ATOM 0 HA ALA A 24 8.152 7.205 -4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.154 6.072 -2.684 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.071 7.522 -2.212 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.293 7.571 -2.265 1.00 0.00 H new ATOM 308 N GLN A 25 6.139 5.763 -5.328 1.00 0.00 N ATOM 309 CA GLN A 25 5.069 5.107 -6.071 1.00 0.00 C ATOM 310 C GLN A 25 4.783 3.720 -5.505 1.00 0.00 C ATOM 311 O GLN A 25 5.691 3.026 -5.047 1.00 0.00 O ATOM 312 CB GLN A 25 5.439 5.000 -7.551 1.00 0.00 C ATOM 313 CG GLN A 25 4.235 4.939 -8.476 1.00 0.00 C ATOM 314 CD GLN A 25 3.325 3.766 -8.174 1.00 0.00 C ATOM 315 OE1 GLN A 25 3.791 2.653 -7.924 1.00 0.00 O ATOM 316 NE2 GLN A 25 2.020 4.007 -8.195 1.00 0.00 N ATOM 0 H GLN A 25 6.939 5.164 -5.123 1.00 0.00 H new ATOM 0 HA GLN A 25 4.168 5.712 -5.971 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.055 5.856 -7.826 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.048 4.108 -7.701 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.668 5.866 -8.389 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.578 4.871 -9.508 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.678 4.944 -8.407 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.359 3.255 -7.999 1.00 0.00 H new ATOM 325 N VAL A 26 3.515 3.323 -5.537 1.00 0.00 N ATOM 326 CA VAL A 26 3.109 2.019 -5.028 1.00 0.00 C ATOM 327 C VAL A 26 2.312 1.244 -6.072 1.00 0.00 C ATOM 328 O VAL A 26 1.607 1.833 -6.890 1.00 0.00 O ATOM 329 CB VAL A 26 2.263 2.154 -3.748 1.00 0.00 C ATOM 330 CG1 VAL A 26 2.259 0.848 -2.969 1.00 0.00 C ATOM 331 CG2 VAL A 26 2.780 3.296 -2.886 1.00 0.00 C ATOM 0 H VAL A 26 2.751 3.886 -5.910 1.00 0.00 H new ATOM 0 HA VAL A 26 4.023 1.473 -4.794 1.00 0.00 H new ATOM 0 HB VAL A 26 1.236 2.381 -4.035 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.656 0.963 -2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.838 0.056 -3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.280 0.587 -2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.171 3.377 -1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.816 3.101 -2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.725 4.229 -3.447 1.00 0.00 H new ATOM 341 N ASN A 27 2.429 -0.079 -6.036 1.00 0.00 N ATOM 342 CA ASN A 27 1.719 -0.934 -6.980 1.00 0.00 C ATOM 343 C ASN A 27 1.286 -2.237 -6.314 1.00 0.00 C ATOM 344 O ASN A 27 2.097 -2.930 -5.698 1.00 0.00 O ATOM 345 CB ASN A 27 2.603 -1.237 -8.192 1.00 0.00 C ATOM 346 CG ASN A 27 3.127 0.023 -8.853 1.00 0.00 C ATOM 347 OD1 ASN A 27 4.294 0.383 -8.691 1.00 0.00 O ATOM 348 ND2 ASN A 27 2.266 0.700 -9.602 1.00 0.00 N ATOM 0 H ASN A 27 3.008 -0.582 -5.364 1.00 0.00 H new ATOM 0 HA ASN A 27 0.828 -0.403 -7.313 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.443 -1.857 -7.880 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.033 -1.816 -8.919 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.562 1.556 -10.072 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.309 0.365 -9.708 1.00 0.00 H new ATOM 355 N TRP A 28 0.006 -2.564 -6.442 1.00 0.00 N ATOM 356 CA TRP A 28 -0.534 -3.785 -5.853 1.00 0.00 C ATOM 357 C TRP A 28 -1.455 -4.501 -6.835 1.00 0.00 C ATOM 358 O TRP A 28 -1.637 -4.055 -7.967 1.00 0.00 O ATOM 359 CB TRP A 28 -1.294 -3.460 -4.566 1.00 0.00 C ATOM 360 CG TRP A 28 -2.536 -2.655 -4.796 1.00 0.00 C ATOM 361 CD1 TRP A 28 -3.777 -3.134 -5.109 1.00 0.00 C ATOM 362 CD2 TRP A 28 -2.660 -1.230 -4.731 1.00 0.00 C ATOM 363 NE1 TRP A 28 -4.663 -2.092 -5.244 1.00 0.00 N ATOM 364 CE2 TRP A 28 -4.003 -0.915 -5.016 1.00 0.00 C ATOM 365 CE3 TRP A 28 -1.765 -0.191 -4.459 1.00 0.00 C ATOM 366 CZ2 TRP A 28 -4.470 0.397 -5.037 1.00 0.00 C ATOM 367 CZ3 TRP A 28 -2.231 1.110 -4.480 1.00 0.00 C ATOM 368 CH2 TRP A 28 -3.573 1.395 -4.766 1.00 0.00 C ATOM 0 H TRP A 28 -0.678 -2.002 -6.948 1.00 0.00 H new ATOM 0 HA TRP A 28 0.300 -4.446 -5.618 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.561 -4.391 -4.065 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.635 -2.913 -3.892 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.025 -4.178 -5.232 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.652 -2.181 -5.476 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.729 -0.401 -4.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.503 0.619 -5.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.549 1.921 -4.272 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.906 2.422 -4.773 1.00 0.00 H new ATOM 379 N GLU A 29 -2.035 -5.613 -6.392 1.00 0.00 N ATOM 380 CA GLU A 29 -2.936 -6.390 -7.233 1.00 0.00 C ATOM 381 C GLU A 29 -3.989 -7.103 -6.390 1.00 0.00 C ATOM 382 O GLU A 29 -3.923 -7.098 -5.161 1.00 0.00 O ATOM 383 CB GLU A 29 -2.149 -7.413 -8.056 1.00 0.00 C ATOM 384 CG GLU A 29 -1.369 -8.404 -7.209 1.00 0.00 C ATOM 385 CD GLU A 29 -2.241 -9.516 -6.659 1.00 0.00 C ATOM 386 OE1 GLU A 29 -2.523 -10.474 -7.408 1.00 0.00 O ATOM 387 OE2 GLU A 29 -2.643 -9.427 -5.480 1.00 0.00 O ATOM 0 H GLU A 29 -1.896 -5.995 -5.456 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.442 -5.701 -7.910 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.840 -7.960 -8.697 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.457 -6.884 -8.712 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.569 -8.838 -7.809 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.896 -7.875 -6.381 1.00 0.00 H new ATOM 394 N VAL A 30 -4.960 -7.715 -7.059 1.00 0.00 N ATOM 395 CA VAL A 30 -6.028 -8.433 -6.373 1.00 0.00 C ATOM 396 C VAL A 30 -5.652 -9.892 -6.145 1.00 0.00 C ATOM 397 O VAL A 30 -5.186 -10.586 -7.049 1.00 0.00 O ATOM 398 CB VAL A 30 -7.347 -8.371 -7.166 1.00 0.00 C ATOM 399 CG1 VAL A 30 -8.470 -9.038 -6.387 1.00 0.00 C ATOM 400 CG2 VAL A 30 -7.701 -6.930 -7.500 1.00 0.00 C ATOM 0 H VAL A 30 -5.030 -7.728 -8.077 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.170 -7.943 -5.410 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.214 -8.914 -8.102 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.394 -8.984 -6.963 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.216 -10.082 -6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.606 -8.526 -5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.636 -6.905 -8.060 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.816 -6.360 -6.578 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.906 -6.490 -8.102 1.00 0.00 H new ATOM 410 N PRO A 31 -5.858 -10.371 -4.910 1.00 0.00 N ATOM 411 CA PRO A 31 -5.548 -11.754 -4.534 1.00 0.00 C ATOM 412 C PRO A 31 -6.492 -12.757 -5.188 1.00 0.00 C ATOM 413 O PRO A 31 -7.428 -12.377 -5.893 1.00 0.00 O ATOM 414 CB PRO A 31 -5.729 -11.759 -3.014 1.00 0.00 C ATOM 415 CG PRO A 31 -6.688 -10.650 -2.744 1.00 0.00 C ATOM 416 CD PRO A 31 -6.410 -9.600 -3.783 1.00 0.00 C ATOM 0 HA PRO A 31 -4.550 -12.051 -4.858 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.120 -12.715 -2.665 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.781 -11.596 -2.502 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.718 -11.000 -2.809 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.550 -10.251 -1.739 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.317 -9.066 -4.067 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.702 -8.855 -3.421 1.00 0.00 H new ATOM 424 N LEU A 32 -6.244 -14.039 -4.947 1.00 0.00 N ATOM 425 CA LEU A 32 -7.073 -15.099 -5.511 1.00 0.00 C ATOM 426 C LEU A 32 -8.387 -15.228 -4.747 1.00 0.00 C ATOM 427 O LEU A 32 -8.455 -15.900 -3.720 1.00 0.00 O ATOM 428 CB LEU A 32 -6.322 -16.432 -5.485 1.00 0.00 C ATOM 429 CG LEU A 32 -5.399 -16.706 -6.672 1.00 0.00 C ATOM 430 CD1 LEU A 32 -4.302 -15.655 -6.750 1.00 0.00 C ATOM 431 CD2 LEU A 32 -4.799 -18.100 -6.570 1.00 0.00 C ATOM 0 H LEU A 32 -5.475 -14.370 -4.364 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.299 -14.837 -6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.728 -16.474 -4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.054 -17.237 -5.426 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.990 -16.653 -7.587 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.655 -15.867 -7.601 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.751 -14.669 -6.872 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.713 -15.675 -5.833 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.145 -18.278 -7.423 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.223 -18.182 -5.648 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.599 -18.841 -6.565 1.00 0.00 H new ATOM 501 N VAL A 38 -13.673 -7.601 -4.497 1.00 0.00 N ATOM 502 CA VAL A 38 -13.126 -6.666 -3.522 1.00 0.00 C ATOM 503 C VAL A 38 -13.781 -5.294 -3.649 1.00 0.00 C ATOM 504 O VAL A 38 -13.507 -4.547 -4.589 1.00 0.00 O ATOM 505 CB VAL A 38 -11.602 -6.512 -3.685 1.00 0.00 C ATOM 506 CG1 VAL A 38 -11.022 -5.687 -2.546 1.00 0.00 C ATOM 507 CG2 VAL A 38 -10.934 -7.876 -3.760 1.00 0.00 C ATOM 0 HA VAL A 38 -13.338 -7.077 -2.535 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.406 -5.985 -4.619 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.945 -5.590 -2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.478 -4.697 -2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.227 -6.182 -1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.858 -7.748 -3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.138 -8.432 -2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.327 -8.427 -4.614 1.00 0.00 H new ATOM 517 N THR A 39 -14.647 -4.967 -2.695 1.00 0.00 N ATOM 518 CA THR A 39 -15.341 -3.687 -2.698 1.00 0.00 C ATOM 519 C THR A 39 -14.373 -2.538 -2.956 1.00 0.00 C ATOM 520 O THR A 39 -14.517 -1.800 -3.931 1.00 0.00 O ATOM 521 CB THR A 39 -16.072 -3.439 -1.365 1.00 0.00 C ATOM 522 OG1 THR A 39 -15.141 -3.492 -0.279 1.00 0.00 O ATOM 523 CG2 THR A 39 -17.169 -4.470 -1.150 1.00 0.00 C ATOM 0 H THR A 39 -14.884 -5.573 -1.909 1.00 0.00 H new ATOM 0 HA THR A 39 -16.075 -3.728 -3.503 1.00 0.00 H new ATOM 0 HB THR A 39 -16.528 -2.450 -1.404 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.613 -3.332 0.565 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.671 -4.275 -0.202 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.892 -4.407 -1.963 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.731 -5.468 -1.130 1.00 0.00 H new ATOM 531 N GLU A 40 -13.389 -2.391 -2.075 1.00 0.00 N ATOM 532 CA GLU A 40 -12.398 -1.330 -2.209 1.00 0.00 C ATOM 533 C GLU A 40 -11.049 -1.770 -1.645 1.00 0.00 C ATOM 534 O GLU A 40 -10.883 -2.918 -1.232 1.00 0.00 O ATOM 535 CB GLU A 40 -12.873 -0.063 -1.493 1.00 0.00 C ATOM 536 CG GLU A 40 -12.472 -0.005 -0.029 1.00 0.00 C ATOM 537 CD GLU A 40 -13.423 0.833 0.803 1.00 0.00 C ATOM 538 OE1 GLU A 40 -14.538 0.353 1.094 1.00 0.00 O ATOM 539 OE2 GLU A 40 -13.050 1.969 1.166 1.00 0.00 O ATOM 0 H GLU A 40 -13.257 -2.992 -1.262 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.276 -1.115 -3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.467 0.808 -2.007 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.959 0.000 -1.566 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.437 -1.017 0.375 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.466 0.406 0.052 1.00 0.00 H new ATOM 546 N TYR A 41 -10.093 -0.850 -1.630 1.00 0.00 N ATOM 547 CA TYR A 41 -8.759 -1.143 -1.120 1.00 0.00 C ATOM 548 C TYR A 41 -8.237 0.008 -0.265 1.00 0.00 C ATOM 549 O TYR A 41 -8.036 1.119 -0.755 1.00 0.00 O ATOM 550 CB TYR A 41 -7.794 -1.410 -2.277 1.00 0.00 C ATOM 551 CG TYR A 41 -8.345 -2.356 -3.319 1.00 0.00 C ATOM 552 CD1 TYR A 41 -9.452 -2.010 -4.085 1.00 0.00 C ATOM 553 CD2 TYR A 41 -7.762 -3.598 -3.537 1.00 0.00 C ATOM 554 CE1 TYR A 41 -9.960 -2.871 -5.037 1.00 0.00 C ATOM 555 CE2 TYR A 41 -8.263 -4.466 -4.488 1.00 0.00 C ATOM 556 CZ TYR A 41 -9.362 -4.098 -5.236 1.00 0.00 C ATOM 557 OH TYR A 41 -9.864 -4.960 -6.184 1.00 0.00 O ATOM 0 H TYR A 41 -10.216 0.105 -1.965 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.825 -2.035 -0.497 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.542 -0.463 -2.755 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.867 -1.822 -1.878 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.923 -1.050 -3.933 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.902 -3.890 -2.953 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.821 -2.585 -5.623 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -7.797 -5.427 -4.645 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.427 -4.790 -7.045 1.00 0.00 H new ATOM 567 N ARG A 42 -8.020 -0.267 1.018 1.00 0.00 N ATOM 568 CA ARG A 42 -7.524 0.743 1.943 1.00 0.00 C ATOM 569 C ARG A 42 -6.006 0.656 2.080 1.00 0.00 C ATOM 570 O ARG A 42 -5.481 -0.268 2.704 1.00 0.00 O ATOM 571 CB ARG A 42 -8.180 0.577 3.315 1.00 0.00 C ATOM 572 CG ARG A 42 -9.492 1.333 3.456 1.00 0.00 C ATOM 573 CD ARG A 42 -10.123 1.102 4.821 1.00 0.00 C ATOM 574 NE ARG A 42 -11.578 1.207 4.776 1.00 0.00 N ATOM 575 CZ ARG A 42 -12.233 2.362 4.810 1.00 0.00 C ATOM 576 NH1 ARG A 42 -11.565 3.505 4.886 1.00 0.00 N ATOM 577 NH2 ARG A 42 -13.560 2.376 4.764 1.00 0.00 N ATOM 0 H ARG A 42 -8.180 -1.182 1.439 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.781 1.723 1.542 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.359 -0.483 3.497 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.488 0.920 4.084 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.317 2.399 3.310 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.183 1.014 2.676 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.842 0.115 5.188 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.729 1.830 5.530 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.122 0.346 4.715 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.546 3.499 4.918 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.071 4.390 4.912 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.077 1.499 4.703 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.062 3.264 4.790 1.00 0.00 H new ATOM 591 N LEU A 43 -5.307 1.621 1.494 1.00 0.00 N ATOM 592 CA LEU A 43 -3.850 1.654 1.550 1.00 0.00 C ATOM 593 C LEU A 43 -3.369 2.600 2.646 1.00 0.00 C ATOM 594 O LEU A 43 -3.560 3.813 2.560 1.00 0.00 O ATOM 595 CB LEU A 43 -3.278 2.086 0.199 1.00 0.00 C ATOM 596 CG LEU A 43 -1.805 2.499 0.195 1.00 0.00 C ATOM 597 CD1 LEU A 43 -0.910 1.283 0.013 1.00 0.00 C ATOM 598 CD2 LEU A 43 -1.542 3.526 -0.896 1.00 0.00 C ATOM 0 H LEU A 43 -5.726 2.392 0.974 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.496 0.649 1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.406 1.265 -0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.870 2.922 -0.173 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.572 2.954 1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.134 1.596 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.078 0.582 0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.143 0.798 -0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.489 3.808 -0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.792 3.098 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.156 4.409 -0.720 1.00 0.00 H new ATOM 610 N GLU A 44 -2.740 2.036 3.673 1.00 0.00 N ATOM 611 CA GLU A 44 -2.229 2.831 4.784 1.00 0.00 C ATOM 612 C GLU A 44 -0.732 3.081 4.631 1.00 0.00 C ATOM 613 O GLU A 44 0.059 2.142 4.538 1.00 0.00 O ATOM 614 CB GLU A 44 -2.507 2.126 6.114 1.00 0.00 C ATOM 615 CG GLU A 44 -3.979 2.085 6.485 1.00 0.00 C ATOM 616 CD GLU A 44 -4.202 1.787 7.955 1.00 0.00 C ATOM 617 OE1 GLU A 44 -4.126 0.601 8.340 1.00 0.00 O ATOM 618 OE2 GLU A 44 -4.453 2.741 8.721 1.00 0.00 O ATOM 0 H GLU A 44 -2.572 1.034 3.759 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.742 3.793 4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.126 1.106 6.062 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.955 2.632 6.906 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.439 3.042 6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.480 1.326 5.884 1.00 0.00 H new ATOM 625 N TRP A 45 -0.351 4.353 4.605 1.00 0.00 N ATOM 626 CA TRP A 45 1.051 4.727 4.463 1.00 0.00 C ATOM 627 C TRP A 45 1.487 5.650 5.597 1.00 0.00 C ATOM 628 O TRP A 45 0.815 6.635 5.900 1.00 0.00 O ATOM 629 CB TRP A 45 1.284 5.411 3.115 1.00 0.00 C ATOM 630 CG TRP A 45 2.681 5.928 2.944 1.00 0.00 C ATOM 631 CD1 TRP A 45 3.290 6.901 3.684 1.00 0.00 C ATOM 632 CD2 TRP A 45 3.639 5.502 1.969 1.00 0.00 C ATOM 633 NE1 TRP A 45 4.571 7.104 3.228 1.00 0.00 N ATOM 634 CE2 TRP A 45 4.810 6.259 2.178 1.00 0.00 C ATOM 635 CE3 TRP A 45 3.623 4.555 0.943 1.00 0.00 C ATOM 636 CZ2 TRP A 45 5.950 6.094 1.396 1.00 0.00 C ATOM 637 CZ3 TRP A 45 4.756 4.394 0.168 1.00 0.00 C ATOM 638 CH2 TRP A 45 5.906 5.160 0.397 1.00 0.00 C ATOM 0 H TRP A 45 -0.993 5.142 4.680 1.00 0.00 H new ATOM 0 HA TRP A 45 1.650 3.817 4.510 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.065 4.704 2.315 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.583 6.239 3.010 1.00 0.00 H new ATOM 0 HD1 TRP A 45 2.833 7.432 4.506 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.236 7.776 3.611 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.741 3.959 0.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.838 6.683 1.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.755 3.665 -0.628 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.775 5.011 -0.227 1.00 0.00 H new ATOM 649 N GLY A 46 2.615 5.325 6.219 1.00 0.00 N ATOM 650 CA GLY A 46 3.119 6.136 7.312 1.00 0.00 C ATOM 651 C GLY A 46 4.615 5.983 7.504 1.00 0.00 C ATOM 652 O GLY A 46 5.146 4.874 7.448 1.00 0.00 O ATOM 0 H GLY A 46 3.189 4.515 5.986 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.885 7.183 7.121 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.607 5.858 8.233 1.00 0.00 H new ATOM 656 N GLY A 47 5.299 7.101 7.732 1.00 0.00 N ATOM 657 CA GLY A 47 6.736 7.065 7.928 1.00 0.00 C ATOM 658 C GLY A 47 7.167 5.940 8.848 1.00 0.00 C ATOM 659 O GLY A 47 8.122 5.219 8.554 1.00 0.00 O ATOM 0 H GLY A 47 4.883 8.031 7.784 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.229 6.950 6.963 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.067 8.017 8.343 1.00 0.00 H new ATOM 663 N VAL A 48 6.465 5.788 9.965 1.00 0.00 N ATOM 664 CA VAL A 48 6.780 4.742 10.931 1.00 0.00 C ATOM 665 C VAL A 48 5.708 3.659 10.940 1.00 0.00 C ATOM 666 O VAL A 48 4.523 3.946 11.100 1.00 0.00 O ATOM 667 CB VAL A 48 6.924 5.317 12.353 1.00 0.00 C ATOM 668 CG1 VAL A 48 6.808 4.211 13.391 1.00 0.00 C ATOM 669 CG2 VAL A 48 8.245 6.058 12.497 1.00 0.00 C ATOM 0 H VAL A 48 5.673 6.376 10.224 1.00 0.00 H new ATOM 0 HA VAL A 48 7.730 4.305 10.624 1.00 0.00 H new ATOM 0 HB VAL A 48 6.115 6.027 12.522 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.912 4.636 14.389 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.834 3.729 13.302 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.594 3.474 13.227 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.330 6.458 13.508 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.070 5.371 12.308 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.283 6.877 11.779 1.00 0.00 H new ATOM 679 N GLU A 49 6.134 2.411 10.764 1.00 0.00 N ATOM 680 CA GLU A 49 5.209 1.285 10.752 1.00 0.00 C ATOM 681 C GLU A 49 4.342 1.277 12.007 1.00 0.00 C ATOM 682 O GLU A 49 3.196 0.829 11.981 1.00 0.00 O ATOM 683 CB GLU A 49 5.977 -0.034 10.642 1.00 0.00 C ATOM 684 CG GLU A 49 6.684 -0.435 11.926 1.00 0.00 C ATOM 685 CD GLU A 49 7.816 0.508 12.286 1.00 0.00 C ATOM 686 OE1 GLU A 49 8.652 0.796 11.403 1.00 0.00 O ATOM 687 OE2 GLU A 49 7.868 0.957 13.450 1.00 0.00 O ATOM 0 H GLU A 49 7.112 2.156 10.628 1.00 0.00 H new ATOM 0 HA GLU A 49 4.559 1.393 9.884 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.284 -0.825 10.356 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.713 0.049 9.842 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.962 -0.459 12.742 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.078 -1.446 11.819 1.00 0.00 H new ATOM 694 N GLY A 50 4.897 1.778 13.106 1.00 0.00 N ATOM 695 CA GLY A 50 4.162 1.820 14.356 1.00 0.00 C ATOM 696 C GLY A 50 2.901 2.655 14.260 1.00 0.00 C ATOM 697 O GLY A 50 1.902 2.360 14.916 1.00 0.00 O ATOM 0 H GLY A 50 5.843 2.156 13.153 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.900 0.805 14.654 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.804 2.226 15.138 1.00 0.00 H new ATOM 701 N SER A 51 2.946 3.700 13.441 1.00 0.00 N ATOM 702 CA SER A 51 1.800 4.585 13.265 1.00 0.00 C ATOM 703 C SER A 51 1.531 4.838 11.785 1.00 0.00 C ATOM 704 O SER A 51 2.239 5.609 11.138 1.00 0.00 O ATOM 705 CB SER A 51 2.037 5.912 13.986 1.00 0.00 C ATOM 706 OG SER A 51 1.149 6.913 13.519 1.00 0.00 O ATOM 0 H SER A 51 3.764 3.955 12.888 1.00 0.00 H new ATOM 0 HA SER A 51 0.926 4.097 13.697 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.903 5.775 15.059 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.067 6.234 13.832 1.00 0.00 H new ATOM 0 HG SER A 51 1.320 7.751 13.997 1.00 0.00 H new ATOM 712 N MET A 52 0.504 4.182 11.256 1.00 0.00 N ATOM 713 CA MET A 52 0.140 4.337 9.852 1.00 0.00 C ATOM 714 C MET A 52 -1.318 4.763 9.712 1.00 0.00 C ATOM 715 O MET A 52 -2.157 4.415 10.542 1.00 0.00 O ATOM 716 CB MET A 52 0.376 3.028 9.095 1.00 0.00 C ATOM 717 CG MET A 52 1.820 2.824 8.668 1.00 0.00 C ATOM 718 SD MET A 52 2.252 1.083 8.486 1.00 0.00 S ATOM 719 CE MET A 52 2.222 0.912 6.703 1.00 0.00 C ATOM 0 H MET A 52 -0.091 3.538 11.778 1.00 0.00 H new ATOM 0 HA MET A 52 0.770 5.116 9.423 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.071 2.193 9.726 1.00 0.00 H new ATOM 0 HB3 MET A 52 -0.262 3.009 8.211 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.991 3.337 7.722 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.481 3.283 9.404 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.795 0.032 6.412 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.191 0.802 6.365 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.661 1.798 6.245 1.00 0.00 H new ATOM 729 N GLN A 53 -1.609 5.519 8.659 1.00 0.00 N ATOM 730 CA GLN A 53 -2.966 5.993 8.412 1.00 0.00 C ATOM 731 C GLN A 53 -3.353 5.800 6.949 1.00 0.00 C ATOM 732 O GLN A 53 -2.490 5.631 6.086 1.00 0.00 O ATOM 733 CB GLN A 53 -3.090 7.469 8.795 1.00 0.00 C ATOM 734 CG GLN A 53 -2.209 8.389 7.966 1.00 0.00 C ATOM 735 CD GLN A 53 -2.232 9.822 8.459 1.00 0.00 C ATOM 736 OE1 GLN A 53 -3.162 10.576 8.169 1.00 0.00 O ATOM 737 NE2 GLN A 53 -1.208 10.206 9.212 1.00 0.00 N ATOM 0 H GLN A 53 -0.925 5.816 7.964 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.647 5.406 9.029 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.129 7.778 8.684 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.833 7.585 9.848 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.184 8.019 7.986 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.538 8.361 6.927 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.459 9.548 9.428 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.171 11.159 9.575 1.00 0.00 H new ATOM 746 N ILE A 54 -4.653 5.828 6.677 1.00 0.00 N ATOM 747 CA ILE A 54 -5.153 5.657 5.319 1.00 0.00 C ATOM 748 C ILE A 54 -4.684 6.791 4.414 1.00 0.00 C ATOM 749 O ILE A 54 -5.095 7.941 4.579 1.00 0.00 O ATOM 750 CB ILE A 54 -6.691 5.593 5.289 1.00 0.00 C ATOM 751 CG1 ILE A 54 -7.198 4.521 6.256 1.00 0.00 C ATOM 752 CG2 ILE A 54 -7.183 5.314 3.876 1.00 0.00 C ATOM 753 CD1 ILE A 54 -6.940 3.108 5.780 1.00 0.00 C ATOM 0 H ILE A 54 -5.379 5.968 7.379 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.752 4.713 4.951 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.086 6.558 5.606 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.720 4.662 7.225 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.269 4.656 6.406 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.272 5.272 3.872 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.848 6.110 3.210 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.782 4.361 3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.325 2.401 6.514 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.441 2.949 4.825 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.868 2.955 5.657 1.00 0.00 H new ATOM 765 N CYS A 55 -3.826 6.461 3.457 1.00 0.00 N ATOM 766 CA CYS A 55 -3.301 7.452 2.524 1.00 0.00 C ATOM 767 C CYS A 55 -4.199 7.571 1.296 1.00 0.00 C ATOM 768 O CYS A 55 -4.499 8.674 0.838 1.00 0.00 O ATOM 769 CB CYS A 55 -1.881 7.082 2.098 1.00 0.00 C ATOM 770 SG CYS A 55 -0.903 8.478 1.494 1.00 0.00 S ATOM 0 H CYS A 55 -3.478 5.514 3.306 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.279 8.416 3.032 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.365 6.631 2.945 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.934 6.324 1.316 1.00 0.00 H new ATOM 0 HG CYS A 55 0.283 8.064 1.160 1.00 0.00 H new ATOM 776 N TYR A 56 -4.622 6.429 0.767 1.00 0.00 N ATOM 777 CA TYR A 56 -5.482 6.405 -0.410 1.00 0.00 C ATOM 778 C TYR A 56 -6.519 5.290 -0.305 1.00 0.00 C ATOM 779 O TYR A 56 -6.234 4.209 0.212 1.00 0.00 O ATOM 780 CB TYR A 56 -4.643 6.217 -1.676 1.00 0.00 C ATOM 781 CG TYR A 56 -5.410 5.603 -2.825 1.00 0.00 C ATOM 782 CD1 TYR A 56 -5.697 4.243 -2.847 1.00 0.00 C ATOM 783 CD2 TYR A 56 -5.849 6.382 -3.889 1.00 0.00 C ATOM 784 CE1 TYR A 56 -6.396 3.678 -3.896 1.00 0.00 C ATOM 785 CE2 TYR A 56 -6.550 5.825 -4.941 1.00 0.00 C ATOM 786 CZ TYR A 56 -6.821 4.473 -4.940 1.00 0.00 C ATOM 787 OH TYR A 56 -7.520 3.913 -5.985 1.00 0.00 O ATOM 0 H TYR A 56 -4.384 5.508 1.134 1.00 0.00 H new ATOM 0 HA TYR A 56 -6.005 7.360 -0.466 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.250 7.185 -1.988 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.786 5.585 -1.443 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.368 3.618 -2.030 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.638 7.441 -3.893 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.609 2.619 -3.899 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.884 6.445 -5.760 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.747 4.609 -6.637 1.00 0.00 H new ATOM 797 N CYS A 57 -7.721 5.563 -0.799 1.00 0.00 N ATOM 798 CA CYS A 57 -8.803 4.583 -0.760 1.00 0.00 C ATOM 799 C CYS A 57 -9.554 4.553 -2.087 1.00 0.00 C ATOM 800 O CYS A 57 -9.905 5.595 -2.639 1.00 0.00 O ATOM 801 CB CYS A 57 -9.769 4.904 0.380 1.00 0.00 C ATOM 802 SG CYS A 57 -11.105 6.034 -0.080 1.00 0.00 S ATOM 0 H CYS A 57 -7.972 6.452 -1.231 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.365 3.600 -0.588 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.204 3.974 0.746 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.207 5.340 1.206 1.00 0.00 H new ATOM 0 HG CYS A 57 -11.079 6.237 -1.364 1.00 0.00 H new ATOM 808 N GLY A 58 -9.798 3.348 -2.596 1.00 0.00 N ATOM 809 CA GLY A 58 -10.506 3.204 -3.855 1.00 0.00 C ATOM 810 C GLY A 58 -10.217 1.879 -4.533 1.00 0.00 C ATOM 811 O GLY A 58 -9.328 1.130 -4.128 1.00 0.00 O ATOM 0 H GLY A 58 -9.518 2.470 -2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.578 3.292 -3.678 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.225 4.019 -4.522 1.00 0.00 H new ATOM 815 N PRO A 59 -10.982 1.573 -5.592 1.00 0.00 N ATOM 816 CA PRO A 59 -10.823 0.328 -6.349 1.00 0.00 C ATOM 817 C PRO A 59 -9.528 0.301 -7.154 1.00 0.00 C ATOM 818 O PRO A 59 -9.124 -0.744 -7.662 1.00 0.00 O ATOM 819 CB PRO A 59 -12.034 0.327 -7.287 1.00 0.00 C ATOM 820 CG PRO A 59 -12.394 1.764 -7.443 1.00 0.00 C ATOM 821 CD PRO A 59 -12.060 2.419 -6.131 1.00 0.00 C ATOM 0 HA PRO A 59 -10.771 -0.543 -5.695 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.790 -0.126 -8.248 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.861 -0.245 -6.865 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -11.835 2.220 -8.260 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.452 1.878 -7.678 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.732 3.449 -6.268 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.922 2.445 -5.464 1.00 0.00 H new ATOM 829 N GLY A 60 -8.880 1.456 -7.264 1.00 0.00 N ATOM 830 CA GLY A 60 -7.636 1.540 -8.008 1.00 0.00 C ATOM 831 C GLY A 60 -6.685 0.407 -7.678 1.00 0.00 C ATOM 832 O GLY A 60 -6.931 -0.371 -6.755 1.00 0.00 O ATOM 0 H GLY A 60 -9.193 2.335 -6.852 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.854 1.528 -9.076 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.151 2.492 -7.792 1.00 0.00 H new ATOM 836 N LEU A 61 -5.597 0.312 -8.433 1.00 0.00 N ATOM 837 CA LEU A 61 -4.605 -0.735 -8.217 1.00 0.00 C ATOM 838 C LEU A 61 -3.222 -0.137 -7.981 1.00 0.00 C ATOM 839 O LEU A 61 -2.282 -0.845 -7.620 1.00 0.00 O ATOM 840 CB LEU A 61 -4.564 -1.682 -9.418 1.00 0.00 C ATOM 841 CG LEU A 61 -5.849 -2.461 -9.702 1.00 0.00 C ATOM 842 CD1 LEU A 61 -5.742 -3.204 -11.026 1.00 0.00 C ATOM 843 CD2 LEU A 61 -6.145 -3.432 -8.568 1.00 0.00 C ATOM 0 H LEU A 61 -5.379 0.947 -9.201 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.894 -1.296 -7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.311 -1.101 -10.305 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.756 -2.397 -9.264 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.673 -1.751 -9.772 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.666 -3.753 -11.211 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.577 -2.489 -11.832 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.907 -3.903 -10.984 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.063 -3.978 -8.787 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.319 -4.136 -8.467 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.265 -2.878 -7.637 1.00 0.00 H new ATOM 855 N SER A 62 -3.107 1.172 -8.183 1.00 0.00 N ATOM 856 CA SER A 62 -1.839 1.866 -7.993 1.00 0.00 C ATOM 857 C SER A 62 -2.071 3.320 -7.591 1.00 0.00 C ATOM 858 O SER A 62 -2.925 4.003 -8.155 1.00 0.00 O ATOM 859 CB SER A 62 -1.004 1.807 -9.274 1.00 0.00 C ATOM 860 OG SER A 62 -1.182 0.569 -9.941 1.00 0.00 O ATOM 0 H SER A 62 -3.877 1.773 -8.478 1.00 0.00 H new ATOM 0 HA SER A 62 -1.296 1.367 -7.190 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.289 2.625 -9.936 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.050 1.945 -9.032 1.00 0.00 H new ATOM 0 HG SER A 62 -0.639 0.556 -10.757 1.00 0.00 H new ATOM 866 N TYR A 63 -1.302 3.785 -6.613 1.00 0.00 N ATOM 867 CA TYR A 63 -1.424 5.156 -6.132 1.00 0.00 C ATOM 868 C TYR A 63 -0.066 5.852 -6.117 1.00 0.00 C ATOM 869 O TYR A 63 0.963 5.222 -5.870 1.00 0.00 O ATOM 870 CB TYR A 63 -2.033 5.174 -4.728 1.00 0.00 C ATOM 871 CG TYR A 63 -2.186 6.564 -4.152 1.00 0.00 C ATOM 872 CD1 TYR A 63 -3.060 7.481 -4.723 1.00 0.00 C ATOM 873 CD2 TYR A 63 -1.456 6.961 -3.039 1.00 0.00 C ATOM 874 CE1 TYR A 63 -3.202 8.753 -4.201 1.00 0.00 C ATOM 875 CE2 TYR A 63 -1.593 8.229 -2.510 1.00 0.00 C ATOM 876 CZ TYR A 63 -2.467 9.121 -3.094 1.00 0.00 C ATOM 877 OH TYR A 63 -2.605 10.387 -2.571 1.00 0.00 O ATOM 0 H TYR A 63 -0.588 3.233 -6.138 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.081 5.695 -6.814 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.011 4.693 -4.759 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.407 4.581 -4.062 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.638 7.195 -5.589 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.769 6.266 -2.579 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.885 9.454 -4.658 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.018 8.521 -1.643 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.018 10.485 -1.792 1.00 0.00 H new ATOM 887 N GLU A 64 -0.073 7.154 -6.385 1.00 0.00 N ATOM 888 CA GLU A 64 1.159 7.935 -6.403 1.00 0.00 C ATOM 889 C GLU A 64 1.268 8.808 -5.156 1.00 0.00 C ATOM 890 O GLU A 64 0.359 9.578 -4.844 1.00 0.00 O ATOM 891 CB GLU A 64 1.216 8.809 -7.658 1.00 0.00 C ATOM 892 CG GLU A 64 2.628 9.188 -8.072 1.00 0.00 C ATOM 893 CD GLU A 64 2.672 10.459 -8.897 1.00 0.00 C ATOM 894 OE1 GLU A 64 1.842 11.358 -8.649 1.00 0.00 O ATOM 895 OE2 GLU A 64 3.539 10.555 -9.791 1.00 0.00 O ATOM 0 H GLU A 64 -0.916 7.690 -6.592 1.00 0.00 H new ATOM 0 HA GLU A 64 1.999 7.241 -6.414 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.735 8.280 -8.481 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.641 9.718 -7.484 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.242 9.316 -7.181 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.066 8.371 -8.646 1.00 0.00 H new ATOM 902 N ILE A 65 2.385 8.682 -4.448 1.00 0.00 N ATOM 903 CA ILE A 65 2.613 9.459 -3.237 1.00 0.00 C ATOM 904 C ILE A 65 3.739 10.469 -3.436 1.00 0.00 C ATOM 905 O ILE A 65 4.789 10.145 -3.991 1.00 0.00 O ATOM 906 CB ILE A 65 2.958 8.551 -2.043 1.00 0.00 C ATOM 907 CG1 ILE A 65 1.707 7.824 -1.548 1.00 0.00 C ATOM 908 CG2 ILE A 65 3.581 9.367 -0.919 1.00 0.00 C ATOM 909 CD1 ILE A 65 2.009 6.610 -0.696 1.00 0.00 C ATOM 0 H ILE A 65 3.146 8.049 -4.693 1.00 0.00 H new ATOM 0 HA ILE A 65 1.685 9.990 -3.023 1.00 0.00 H new ATOM 0 HB ILE A 65 3.683 7.806 -2.371 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.097 8.519 -0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.112 7.515 -2.408 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.819 8.711 -0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.493 9.843 -1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.877 10.132 -0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.075 6.145 -0.381 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.593 5.895 -1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.577 6.915 0.183 1.00 0.00 H new ATOM 921 N LYS A 66 3.513 11.695 -2.977 1.00 0.00 N ATOM 922 CA LYS A 66 4.509 12.754 -3.100 1.00 0.00 C ATOM 923 C LYS A 66 4.507 13.648 -1.864 1.00 0.00 C ATOM 924 O LYS A 66 3.647 13.520 -0.994 1.00 0.00 O ATOM 925 CB LYS A 66 4.238 13.594 -4.350 1.00 0.00 C ATOM 926 CG LYS A 66 4.531 12.861 -5.649 1.00 0.00 C ATOM 927 CD LYS A 66 4.289 13.752 -6.857 1.00 0.00 C ATOM 928 CE LYS A 66 5.436 14.728 -7.067 1.00 0.00 C ATOM 929 NZ LYS A 66 5.094 15.778 -8.067 1.00 0.00 N ATOM 0 H LYS A 66 2.649 11.980 -2.516 1.00 0.00 H new ATOM 0 HA LYS A 66 5.490 12.288 -3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.194 13.909 -4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.844 14.499 -4.308 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.566 12.518 -5.649 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.901 11.974 -5.718 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.167 13.135 -7.747 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.359 14.305 -6.723 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.690 15.199 -6.118 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.320 14.184 -7.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.901 16.424 -8.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.876 15.330 -8.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.266 16.314 -7.738 1.00 0.00 H new ATOM 943 N GLY A 67 5.478 14.555 -1.795 1.00 0.00 N ATOM 944 CA GLY A 67 5.568 15.458 -0.663 1.00 0.00 C ATOM 945 C GLY A 67 6.234 14.817 0.539 1.00 0.00 C ATOM 946 O GLY A 67 5.929 15.157 1.683 1.00 0.00 O ATOM 0 H GLY A 67 6.202 14.680 -2.502 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.129 16.346 -0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.567 15.789 -0.386 1.00 0.00 H new ATOM 950 N LEU A 68 7.144 13.884 0.281 1.00 0.00 N ATOM 951 CA LEU A 68 7.854 13.191 1.351 1.00 0.00 C ATOM 952 C LEU A 68 9.196 13.857 1.634 1.00 0.00 C ATOM 953 O LEU A 68 9.569 14.830 0.978 1.00 0.00 O ATOM 954 CB LEU A 68 8.068 11.723 0.980 1.00 0.00 C ATOM 955 CG LEU A 68 6.844 10.982 0.440 1.00 0.00 C ATOM 956 CD1 LEU A 68 7.267 9.733 -0.317 1.00 0.00 C ATOM 957 CD2 LEU A 68 5.894 10.623 1.574 1.00 0.00 C ATOM 0 H LEU A 68 7.408 13.590 -0.659 1.00 0.00 H new ATOM 0 HA LEU A 68 7.245 13.246 2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.859 11.670 0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.428 11.195 1.863 1.00 0.00 H new ATOM 0 HG LEU A 68 6.320 11.642 -0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.383 9.219 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.907 10.014 -1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.815 9.070 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.029 10.096 1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.408 9.982 2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.564 11.534 2.074 1.00 0.00 H new ATOM 969 N SER A 69 9.920 13.325 2.614 1.00 0.00 N ATOM 970 CA SER A 69 11.221 13.869 2.985 1.00 0.00 C ATOM 971 C SER A 69 12.334 12.868 2.684 1.00 0.00 C ATOM 972 O SER A 69 12.172 11.658 2.834 1.00 0.00 O ATOM 973 CB SER A 69 11.240 14.237 4.470 1.00 0.00 C ATOM 974 OG SER A 69 10.164 15.100 4.794 1.00 0.00 O ATOM 0 H SER A 69 9.628 12.518 3.165 1.00 0.00 H new ATOM 0 HA SER A 69 11.393 14.768 2.393 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.179 13.331 5.073 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.185 14.721 4.716 1.00 0.00 H new ATOM 0 HG SER A 69 10.197 15.319 5.749 1.00 0.00 H new ATOM 980 N PRO A 70 13.492 13.387 2.248 1.00 0.00 N ATOM 981 CA PRO A 70 14.655 12.558 1.916 1.00 0.00 C ATOM 982 C PRO A 70 15.289 11.928 3.152 1.00 0.00 C ATOM 983 O PRO A 70 15.140 12.434 4.263 1.00 0.00 O ATOM 984 CB PRO A 70 15.623 13.549 1.265 1.00 0.00 C ATOM 985 CG PRO A 70 15.243 14.875 1.827 1.00 0.00 C ATOM 986 CD PRO A 70 13.756 14.821 2.046 1.00 0.00 C ATOM 0 HA PRO A 70 14.387 11.719 1.274 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.659 13.302 1.499 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.530 13.538 0.179 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.768 15.068 2.762 1.00 0.00 H new ATOM 0 HG3 PRO A 70 15.508 15.680 1.141 1.00 0.00 H new ATOM 0 HD2 PRO A 70 13.456 15.411 2.912 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.209 15.213 1.189 1.00 0.00 H new ATOM 994 N ALA A 71 15.996 10.821 2.950 1.00 0.00 N ATOM 995 CA ALA A 71 16.654 10.124 4.048 1.00 0.00 C ATOM 996 C ALA A 71 15.679 9.847 5.186 1.00 0.00 C ATOM 997 O ALA A 71 15.992 10.075 6.356 1.00 0.00 O ATOM 998 CB ALA A 71 17.840 10.934 4.551 1.00 0.00 C ATOM 0 H ALA A 71 16.128 10.388 2.036 1.00 0.00 H new ATOM 0 HA ALA A 71 17.015 9.166 3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.322 10.402 5.371 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.554 11.075 3.740 1.00 0.00 H new ATOM 0 HB3 ALA A 71 17.494 11.906 4.903 1.00 0.00 H new ATOM 1004 N THR A 72 14.493 9.356 4.838 1.00 0.00 N ATOM 1005 CA THR A 72 13.471 9.051 5.830 1.00 0.00 C ATOM 1006 C THR A 72 12.796 7.717 5.532 1.00 0.00 C ATOM 1007 O THR A 72 12.474 7.414 4.382 1.00 0.00 O ATOM 1008 CB THR A 72 12.398 10.154 5.889 1.00 0.00 C ATOM 1009 OG1 THR A 72 13.009 11.418 6.167 1.00 0.00 O ATOM 1010 CG2 THR A 72 11.358 9.841 6.956 1.00 0.00 C ATOM 0 H THR A 72 14.217 9.161 3.875 1.00 0.00 H new ATOM 0 HA THR A 72 13.975 8.993 6.795 1.00 0.00 H new ATOM 0 HB THR A 72 11.900 10.198 4.920 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.616 11.656 5.435 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.610 10.634 6.979 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.874 8.892 6.725 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.844 9.772 7.929 1.00 0.00 H new ATOM 1018 N THR A 73 12.584 6.920 6.575 1.00 0.00 N ATOM 1019 CA THR A 73 11.948 5.617 6.424 1.00 0.00 C ATOM 1020 C THR A 73 10.445 5.760 6.215 1.00 0.00 C ATOM 1021 O THR A 73 9.830 6.713 6.694 1.00 0.00 O ATOM 1022 CB THR A 73 12.201 4.724 7.653 1.00 0.00 C ATOM 1023 OG1 THR A 73 13.480 5.025 8.223 1.00 0.00 O ATOM 1024 CG2 THR A 73 12.145 3.251 7.272 1.00 0.00 C ATOM 0 H THR A 73 12.843 7.154 7.533 1.00 0.00 H new ATOM 0 HA THR A 73 12.391 5.148 5.545 1.00 0.00 H new ATOM 0 HB THR A 73 11.420 4.924 8.387 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.632 4.454 9.005 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.327 2.639 8.156 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.161 3.018 6.865 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.907 3.040 6.522 1.00 0.00 H new ATOM 1032 N TYR A 74 9.859 4.808 5.499 1.00 0.00 N ATOM 1033 CA TYR A 74 8.427 4.829 5.225 1.00 0.00 C ATOM 1034 C TYR A 74 7.879 3.412 5.077 1.00 0.00 C ATOM 1035 O TYR A 74 8.607 2.488 4.712 1.00 0.00 O ATOM 1036 CB TYR A 74 8.141 5.633 3.956 1.00 0.00 C ATOM 1037 CG TYR A 74 8.419 7.112 4.101 1.00 0.00 C ATOM 1038 CD1 TYR A 74 7.506 7.952 4.728 1.00 0.00 C ATOM 1039 CD2 TYR A 74 9.593 7.670 3.611 1.00 0.00 C ATOM 1040 CE1 TYR A 74 7.756 9.305 4.862 1.00 0.00 C ATOM 1041 CE2 TYR A 74 9.851 9.020 3.741 1.00 0.00 C ATOM 1042 CZ TYR A 74 8.930 9.834 4.367 1.00 0.00 C ATOM 1043 OH TYR A 74 9.183 11.180 4.499 1.00 0.00 O ATOM 0 H TYR A 74 10.353 4.011 5.097 1.00 0.00 H new ATOM 0 HA TYR A 74 7.929 5.305 6.069 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.746 5.236 3.141 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.097 5.494 3.675 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.586 7.541 5.117 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.317 7.037 3.120 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.036 9.944 5.351 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.769 9.437 3.354 1.00 0.00 H new ATOM 0 HH TYR A 74 10.005 11.309 5.017 1.00 0.00 H new ATOM 1053 N TYR A 75 6.592 3.250 5.363 1.00 0.00 N ATOM 1054 CA TYR A 75 5.946 1.947 5.264 1.00 0.00 C ATOM 1055 C TYR A 75 4.609 2.055 4.537 1.00 0.00 C ATOM 1056 O TYR A 75 3.877 3.031 4.705 1.00 0.00 O ATOM 1057 CB TYR A 75 5.735 1.351 6.658 1.00 0.00 C ATOM 1058 CG TYR A 75 7.015 1.190 7.446 1.00 0.00 C ATOM 1059 CD1 TYR A 75 7.485 2.213 8.262 1.00 0.00 C ATOM 1060 CD2 TYR A 75 7.754 0.015 7.378 1.00 0.00 C ATOM 1061 CE1 TYR A 75 8.654 2.070 8.984 1.00 0.00 C ATOM 1062 CE2 TYR A 75 8.922 -0.136 8.097 1.00 0.00 C ATOM 1063 CZ TYR A 75 9.368 0.894 8.900 1.00 0.00 C ATOM 1064 OH TYR A 75 10.534 0.746 9.617 1.00 0.00 O ATOM 0 H TYR A 75 5.976 4.005 5.665 1.00 0.00 H new ATOM 0 HA TYR A 75 6.599 1.289 4.690 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.051 1.989 7.218 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.254 0.378 6.559 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.927 3.135 8.333 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.408 -0.794 6.752 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.007 2.876 9.611 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.484 -1.056 8.032 1.00 0.00 H new ATOM 0 HH TYR A 75 10.327 0.704 10.574 1.00 0.00 H new ATOM 1074 N CYS A 76 4.298 1.046 3.732 1.00 0.00 N ATOM 1075 CA CYS A 76 3.049 1.027 2.978 1.00 0.00 C ATOM 1076 C CYS A 76 2.395 -0.349 3.044 1.00 0.00 C ATOM 1077 O CYS A 76 3.072 -1.374 2.963 1.00 0.00 O ATOM 1078 CB CYS A 76 3.302 1.415 1.521 1.00 0.00 C ATOM 1079 SG CYS A 76 3.785 0.031 0.462 1.00 0.00 S ATOM 0 H CYS A 76 4.893 0.231 3.584 1.00 0.00 H new ATOM 0 HA CYS A 76 2.372 1.753 3.427 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.399 1.871 1.115 1.00 0.00 H new ATOM 0 HB3 CYS A 76 4.084 2.174 1.489 1.00 0.00 H new ATOM 0 HG CYS A 76 3.748 -1.073 1.147 1.00 0.00 H new ATOM 1085 N ARG A 77 1.075 -0.365 3.195 1.00 0.00 N ATOM 1086 CA ARG A 77 0.330 -1.615 3.276 1.00 0.00 C ATOM 1087 C ARG A 77 -0.973 -1.524 2.488 1.00 0.00 C ATOM 1088 O ARG A 77 -1.513 -0.436 2.285 1.00 0.00 O ATOM 1089 CB ARG A 77 0.032 -1.962 4.736 1.00 0.00 C ATOM 1090 CG ARG A 77 -1.048 -1.095 5.360 1.00 0.00 C ATOM 1091 CD ARG A 77 -0.882 -0.996 6.868 1.00 0.00 C ATOM 1092 NE ARG A 77 -0.431 -2.256 7.453 1.00 0.00 N ATOM 1093 CZ ARG A 77 -0.577 -2.564 8.737 1.00 0.00 C ATOM 1094 NH1 ARG A 77 -1.160 -1.707 9.565 1.00 0.00 N ATOM 1095 NH2 ARG A 77 -0.141 -3.730 9.195 1.00 0.00 N ATOM 0 H ARG A 77 0.499 0.474 3.264 1.00 0.00 H new ATOM 0 HA ARG A 77 0.944 -2.403 2.840 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.272 -3.007 4.797 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.948 -1.862 5.319 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.012 -0.097 4.923 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.029 -1.510 5.127 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.164 -0.210 7.103 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.831 -0.706 7.319 1.00 0.00 H new ATOM 0 HE ARG A 77 0.021 -2.937 6.842 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.497 -0.810 9.216 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.271 -1.945 10.551 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.307 -4.392 8.561 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.254 -3.965 10.181 1.00 0.00 H new ATOM 1109 N VAL A 78 -1.474 -2.673 2.045 1.00 0.00 N ATOM 1110 CA VAL A 78 -2.713 -2.723 1.279 1.00 0.00 C ATOM 1111 C VAL A 78 -3.522 -3.968 1.625 1.00 0.00 C ATOM 1112 O VAL A 78 -2.961 -5.036 1.871 1.00 0.00 O ATOM 1113 CB VAL A 78 -2.438 -2.706 -0.236 1.00 0.00 C ATOM 1114 CG1 VAL A 78 -1.729 -3.982 -0.665 1.00 0.00 C ATOM 1115 CG2 VAL A 78 -3.734 -2.521 -1.010 1.00 0.00 C ATOM 0 H VAL A 78 -1.040 -3.582 2.204 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.286 -1.835 1.545 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.784 -1.863 -0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.543 -3.952 -1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.780 -4.067 -0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.355 -4.843 -0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.521 -2.511 -2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.414 -3.342 -0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.197 -1.577 -0.724 1.00 0.00 H new ATOM 1125 N GLN A 79 -4.843 -3.824 1.638 1.00 0.00 N ATOM 1126 CA GLN A 79 -5.730 -4.938 1.953 1.00 0.00 C ATOM 1127 C GLN A 79 -6.944 -4.945 1.031 1.00 0.00 C ATOM 1128 O GLN A 79 -7.356 -3.903 0.523 1.00 0.00 O ATOM 1129 CB GLN A 79 -6.182 -4.861 3.412 1.00 0.00 C ATOM 1130 CG GLN A 79 -7.440 -4.031 3.616 1.00 0.00 C ATOM 1131 CD GLN A 79 -7.760 -3.805 5.080 1.00 0.00 C ATOM 1132 OE1 GLN A 79 -8.948 -4.223 5.499 1.00 0.00 O flip ATOM 1133 NE2 GLN A 79 -6.946 -3.260 5.828 1.00 0.00 N flip ATOM 0 H GLN A 79 -5.323 -2.947 1.434 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.176 -5.865 1.801 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.359 -5.871 3.783 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.376 -4.438 4.012 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.319 -3.067 3.122 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.282 -4.531 3.137 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.044 -2.954 5.464 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.175 -3.115 6.811 1.00 0.00 H new ATOM 1142 N ALA A 80 -7.515 -6.127 0.819 1.00 0.00 N ATOM 1143 CA ALA A 80 -8.683 -6.268 -0.041 1.00 0.00 C ATOM 1144 C ALA A 80 -9.960 -6.387 0.785 1.00 0.00 C ATOM 1145 O ALA A 80 -10.136 -7.341 1.542 1.00 0.00 O ATOM 1146 CB ALA A 80 -8.525 -7.479 -0.949 1.00 0.00 C ATOM 0 H ALA A 80 -7.187 -7.000 1.231 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.762 -5.373 -0.657 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.404 -7.573 -1.586 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.638 -7.355 -1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.419 -8.378 -0.342 1.00 0.00 H new ATOM 1152 N LEU A 81 -10.848 -5.410 0.634 1.00 0.00 N ATOM 1153 CA LEU A 81 -12.110 -5.403 1.365 1.00 0.00 C ATOM 1154 C LEU A 81 -13.237 -5.976 0.512 1.00 0.00 C ATOM 1155 O LEU A 81 -13.238 -5.832 -0.710 1.00 0.00 O ATOM 1156 CB LEU A 81 -12.459 -3.980 1.805 1.00 0.00 C ATOM 1157 CG LEU A 81 -11.537 -3.356 2.851 1.00 0.00 C ATOM 1158 CD1 LEU A 81 -10.294 -2.780 2.192 1.00 0.00 C ATOM 1159 CD2 LEU A 81 -12.274 -2.280 3.637 1.00 0.00 C ATOM 0 H LEU A 81 -10.717 -4.612 0.012 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.994 -6.031 2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.461 -3.339 0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.475 -3.982 2.200 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.226 -4.137 3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.649 -2.340 2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.755 -3.574 1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.585 -2.012 1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.602 -1.846 4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.615 -1.501 2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.133 -2.722 4.141 1.00 0.00 H new ATOM 1171 N SER A 82 -14.196 -6.624 1.165 1.00 0.00 N ATOM 1172 CA SER A 82 -15.328 -7.221 0.466 1.00 0.00 C ATOM 1173 C SER A 82 -16.641 -6.865 1.157 1.00 0.00 C ATOM 1174 O SER A 82 -16.658 -6.125 2.141 1.00 0.00 O ATOM 1175 CB SER A 82 -15.170 -8.741 0.399 1.00 0.00 C ATOM 1176 OG SER A 82 -15.079 -9.302 1.697 1.00 0.00 O ATOM 0 H SER A 82 -14.212 -6.749 2.177 1.00 0.00 H new ATOM 0 HA SER A 82 -15.350 -6.821 -0.548 1.00 0.00 H new ATOM 0 HB2 SER A 82 -16.019 -9.175 -0.129 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.276 -8.992 -0.173 1.00 0.00 H new ATOM 0 HG SER A 82 -14.140 -9.484 1.909 1.00 0.00 H new ATOM 1182 N VAL A 83 -17.741 -7.396 0.633 1.00 0.00 N ATOM 1183 CA VAL A 83 -19.060 -7.136 1.199 1.00 0.00 C ATOM 1184 C VAL A 83 -19.372 -8.106 2.333 1.00 0.00 C ATOM 1185 O VAL A 83 -20.388 -7.972 3.017 1.00 0.00 O ATOM 1186 CB VAL A 83 -20.161 -7.244 0.127 1.00 0.00 C ATOM 1187 CG1 VAL A 83 -20.166 -6.009 -0.760 1.00 0.00 C ATOM 1188 CG2 VAL A 83 -19.975 -8.506 -0.701 1.00 0.00 C ATOM 0 H VAL A 83 -17.745 -8.009 -0.182 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.043 -6.119 1.590 1.00 0.00 H new ATOM 0 HB VAL A 83 -21.127 -7.305 0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -20.950 -6.104 -1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -20.352 -5.124 -0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -19.200 -5.913 -1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.761 -8.567 -1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -19.003 -8.478 -1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -20.027 -9.379 -0.050 1.00 0.00 H new ATOM 1198 N VAL A 84 -18.493 -9.083 2.528 1.00 0.00 N ATOM 1199 CA VAL A 84 -18.673 -10.076 3.581 1.00 0.00 C ATOM 1200 C VAL A 84 -17.847 -9.727 4.813 1.00 0.00 C ATOM 1201 O VAL A 84 -18.113 -10.214 5.910 1.00 0.00 O ATOM 1202 CB VAL A 84 -18.283 -11.485 3.096 1.00 0.00 C ATOM 1203 CG1 VAL A 84 -16.787 -11.710 3.257 1.00 0.00 C ATOM 1204 CG2 VAL A 84 -19.074 -12.545 3.848 1.00 0.00 C ATOM 0 H VAL A 84 -17.648 -9.209 1.970 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.731 -10.070 3.844 1.00 0.00 H new ATOM 0 HB VAL A 84 -18.526 -11.566 2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -16.530 -12.711 2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.243 -10.971 2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.515 -11.610 4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -18.786 -13.534 3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -18.864 -12.467 4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -20.140 -12.394 3.676 1.00 0.00 H new ATOM 1214 N GLY A 85 -16.841 -8.878 4.623 1.00 0.00 N ATOM 1215 CA GLY A 85 -15.991 -8.477 5.728 1.00 0.00 C ATOM 1216 C GLY A 85 -14.775 -7.695 5.271 1.00 0.00 C ATOM 1217 O GLY A 85 -14.905 -6.646 4.639 1.00 0.00 O ATOM 0 H GLY A 85 -16.600 -8.461 3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.569 -7.870 6.425 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.665 -9.364 6.272 1.00 0.00 H new ATOM 1221 N ALA A 86 -13.591 -8.205 5.590 1.00 0.00 N ATOM 1222 CA ALA A 86 -12.347 -7.548 5.207 1.00 0.00 C ATOM 1223 C ALA A 86 -11.154 -8.479 5.391 1.00 0.00 C ATOM 1224 O ALA A 86 -11.200 -9.410 6.194 1.00 0.00 O ATOM 1225 CB ALA A 86 -12.154 -6.273 6.014 1.00 0.00 C ATOM 0 H ALA A 86 -13.466 -9.072 6.113 1.00 0.00 H new ATOM 0 HA ALA A 86 -12.412 -7.290 4.150 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.221 -5.793 5.718 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.987 -5.595 5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -12.115 -6.517 7.076 1.00 0.00 H new ATOM 1231 N GLY A 87 -10.086 -8.222 4.642 1.00 0.00 N ATOM 1232 CA GLY A 87 -8.897 -9.047 4.738 1.00 0.00 C ATOM 1233 C GLY A 87 -7.776 -8.363 5.495 1.00 0.00 C ATOM 1234 O GLY A 87 -7.784 -7.148 5.695 1.00 0.00 O ATOM 0 H GLY A 87 -10.024 -7.457 3.970 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.148 -9.984 5.235 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.552 -9.300 3.735 1.00 0.00 H new ATOM 1238 N PRO A 88 -6.784 -9.152 5.932 1.00 0.00 N ATOM 1239 CA PRO A 88 -5.633 -8.637 6.681 1.00 0.00 C ATOM 1240 C PRO A 88 -4.709 -7.791 5.812 1.00 0.00 C ATOM 1241 O PRO A 88 -4.741 -7.880 4.584 1.00 0.00 O ATOM 1242 CB PRO A 88 -4.916 -9.906 7.146 1.00 0.00 C ATOM 1243 CG PRO A 88 -5.307 -10.948 6.156 1.00 0.00 C ATOM 1244 CD PRO A 88 -6.708 -10.609 5.731 1.00 0.00 C ATOM 0 HA PRO A 88 -5.937 -7.980 7.496 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.835 -9.765 7.166 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.220 -10.185 8.155 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.629 -10.949 5.302 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.263 -11.943 6.599 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.889 -10.881 4.691 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.449 -11.136 6.332 1.00 0.00 H new ATOM 1252 N PHE A 89 -3.885 -6.971 6.455 1.00 0.00 N ATOM 1253 CA PHE A 89 -2.951 -6.108 5.741 1.00 0.00 C ATOM 1254 C PHE A 89 -1.738 -6.900 5.262 1.00 0.00 C ATOM 1255 O PHE A 89 -1.143 -7.665 6.022 1.00 0.00 O ATOM 1256 CB PHE A 89 -2.501 -4.955 6.639 1.00 0.00 C ATOM 1257 CG PHE A 89 -3.426 -3.771 6.604 1.00 0.00 C ATOM 1258 CD1 PHE A 89 -3.775 -3.184 5.400 1.00 0.00 C ATOM 1259 CD2 PHE A 89 -3.947 -3.248 7.777 1.00 0.00 C ATOM 1260 CE1 PHE A 89 -4.626 -2.095 5.364 1.00 0.00 C ATOM 1261 CE2 PHE A 89 -4.797 -2.159 7.749 1.00 0.00 C ATOM 1262 CZ PHE A 89 -5.138 -1.583 6.541 1.00 0.00 C ATOM 0 H PHE A 89 -3.845 -6.886 7.471 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.464 -5.700 4.870 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.422 -5.314 7.665 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.504 -4.636 6.335 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.378 -3.581 4.478 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.686 -3.697 8.724 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.890 -1.645 4.418 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.194 -1.759 8.670 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.804 -0.733 6.516 1.00 0.00 H new ATOM 1272 N SER A 90 -1.376 -6.709 3.998 1.00 0.00 N ATOM 1273 CA SER A 90 -0.236 -7.408 3.416 1.00 0.00 C ATOM 1274 C SER A 90 1.029 -7.155 4.228 1.00 0.00 C ATOM 1275 O SER A 90 1.033 -6.344 5.154 1.00 0.00 O ATOM 1276 CB SER A 90 -0.023 -6.962 1.967 1.00 0.00 C ATOM 1277 OG SER A 90 0.255 -5.574 1.896 1.00 0.00 O ATOM 0 H SER A 90 -1.855 -6.076 3.357 1.00 0.00 H new ATOM 0 HA SER A 90 -0.450 -8.477 3.433 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.801 -7.524 1.528 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.912 -7.188 1.379 1.00 0.00 H new ATOM 0 HG SER A 90 1.192 -5.441 1.640 1.00 0.00 H new ATOM 1283 N GLU A 91 2.103 -7.855 3.875 1.00 0.00 N ATOM 1284 CA GLU A 91 3.375 -7.706 4.573 1.00 0.00 C ATOM 1285 C GLU A 91 3.896 -6.277 4.457 1.00 0.00 C ATOM 1286 O GLU A 91 4.248 -5.819 3.370 1.00 0.00 O ATOM 1287 CB GLU A 91 4.409 -8.685 4.009 1.00 0.00 C ATOM 1288 CG GLU A 91 4.017 -10.144 4.173 1.00 0.00 C ATOM 1289 CD GLU A 91 5.210 -11.078 4.110 1.00 0.00 C ATOM 1290 OE1 GLU A 91 5.859 -11.283 5.157 1.00 0.00 O ATOM 1291 OE2 GLU A 91 5.495 -11.603 3.013 1.00 0.00 O ATOM 0 H GLU A 91 2.118 -8.530 3.111 1.00 0.00 H new ATOM 0 HA GLU A 91 3.210 -7.929 5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.557 -8.474 2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.365 -8.516 4.504 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.508 -10.275 5.128 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.306 -10.415 3.393 1.00 0.00 H new ATOM 1298 N VAL A 92 3.939 -5.576 5.585 1.00 0.00 N ATOM 1299 CA VAL A 92 4.417 -4.198 5.612 1.00 0.00 C ATOM 1300 C VAL A 92 5.697 -4.045 4.798 1.00 0.00 C ATOM 1301 O VAL A 92 6.719 -4.656 5.107 1.00 0.00 O ATOM 1302 CB VAL A 92 4.678 -3.722 7.053 1.00 0.00 C ATOM 1303 CG1 VAL A 92 5.476 -2.428 7.052 1.00 0.00 C ATOM 1304 CG2 VAL A 92 3.364 -3.548 7.802 1.00 0.00 C ATOM 0 H VAL A 92 3.649 -5.939 6.493 1.00 0.00 H new ATOM 0 HA VAL A 92 3.633 -3.582 5.171 1.00 0.00 H new ATOM 0 HB VAL A 92 5.266 -4.482 7.568 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.651 -2.107 8.079 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.432 -2.591 6.555 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.918 -1.657 6.521 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.567 -3.211 8.819 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.749 -2.808 7.290 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.835 -4.500 7.834 1.00 0.00 H new ATOM 1314 N VAL A 93 5.633 -3.223 3.756 1.00 0.00 N ATOM 1315 CA VAL A 93 6.789 -2.986 2.898 1.00 0.00 C ATOM 1316 C VAL A 93 7.479 -1.675 3.253 1.00 0.00 C ATOM 1317 O VAL A 93 6.996 -0.595 2.912 1.00 0.00 O ATOM 1318 CB VAL A 93 6.387 -2.956 1.410 1.00 0.00 C ATOM 1319 CG1 VAL A 93 7.622 -2.903 0.524 1.00 0.00 C ATOM 1320 CG2 VAL A 93 5.525 -4.161 1.067 1.00 0.00 C ATOM 0 H VAL A 93 4.794 -2.710 3.485 1.00 0.00 H new ATOM 0 HA VAL A 93 7.480 -3.812 3.064 1.00 0.00 H new ATOM 0 HB VAL A 93 5.801 -2.055 1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.318 -2.882 -0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.196 -2.005 0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.238 -3.784 0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.250 -4.124 0.013 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.084 -5.076 1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.622 -4.148 1.678 1.00 0.00 H new ATOM 1330 N ALA A 94 8.612 -1.776 3.941 1.00 0.00 N ATOM 1331 CA ALA A 94 9.370 -0.597 4.341 1.00 0.00 C ATOM 1332 C ALA A 94 10.170 -0.036 3.171 1.00 0.00 C ATOM 1333 O ALA A 94 10.509 -0.760 2.233 1.00 0.00 O ATOM 1334 CB ALA A 94 10.295 -0.934 5.501 1.00 0.00 C ATOM 0 H ALA A 94 9.025 -2.662 4.233 1.00 0.00 H new ATOM 0 HA ALA A 94 8.663 0.167 4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.855 -0.045 5.790 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.704 -1.282 6.348 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.989 -1.717 5.197 1.00 0.00 H new ATOM 1340 N CYS A 95 10.469 1.258 3.230 1.00 0.00 N ATOM 1341 CA CYS A 95 11.228 1.916 2.174 1.00 0.00 C ATOM 1342 C CYS A 95 11.821 3.231 2.669 1.00 0.00 C ATOM 1343 O CYS A 95 11.150 4.012 3.344 1.00 0.00 O ATOM 1344 CB CYS A 95 10.335 2.173 0.959 1.00 0.00 C ATOM 1345 SG CYS A 95 8.975 3.324 1.271 1.00 0.00 S ATOM 0 H CYS A 95 10.197 1.871 3.998 1.00 0.00 H new ATOM 0 HA CYS A 95 12.045 1.255 1.883 1.00 0.00 H new ATOM 0 HB2 CYS A 95 10.948 2.564 0.147 1.00 0.00 H new ATOM 0 HB3 CYS A 95 9.922 1.224 0.618 1.00 0.00 H new ATOM 0 HG CYS A 95 8.409 3.642 0.145 1.00 0.00 H new ATOM 1351 N VAL A 96 13.085 3.468 2.332 1.00 0.00 N ATOM 1352 CA VAL A 96 13.770 4.688 2.745 1.00 0.00 C ATOM 1353 C VAL A 96 14.150 5.538 1.537 1.00 0.00 C ATOM 1354 O VAL A 96 14.938 5.118 0.690 1.00 0.00 O ATOM 1355 CB VAL A 96 15.041 4.371 3.556 1.00 0.00 C ATOM 1356 CG1 VAL A 96 15.704 5.655 4.030 1.00 0.00 C ATOM 1357 CG2 VAL A 96 14.708 3.467 4.733 1.00 0.00 C ATOM 0 H VAL A 96 13.655 2.832 1.775 1.00 0.00 H new ATOM 0 HA VAL A 96 13.076 5.244 3.375 1.00 0.00 H new ATOM 0 HB VAL A 96 15.743 3.844 2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.600 5.412 4.601 1.00 0.00 H new ATOM 0 HG12 VAL A 96 15.977 6.263 3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 96 15.011 6.211 4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 96 15.617 3.253 5.296 1.00 0.00 H new ATOM 0 HG22 VAL A 96 13.988 3.965 5.382 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.280 2.534 4.366 1.00 0.00 H new ATOM 1367 N THR A 97 13.585 6.739 1.465 1.00 0.00 N ATOM 1368 CA THR A 97 13.863 7.650 0.361 1.00 0.00 C ATOM 1369 C THR A 97 15.332 8.053 0.339 1.00 0.00 C ATOM 1370 O THR A 97 16.010 8.081 1.367 1.00 0.00 O ATOM 1371 CB THR A 97 12.996 8.920 0.449 1.00 0.00 C ATOM 1372 OG1 THR A 97 13.212 9.576 1.703 1.00 0.00 O ATOM 1373 CG2 THR A 97 11.521 8.579 0.296 1.00 0.00 C ATOM 0 H THR A 97 12.932 7.104 2.158 1.00 0.00 H new ATOM 0 HA THR A 97 13.621 7.116 -0.558 1.00 0.00 H new ATOM 0 HB THR A 97 13.285 9.587 -0.363 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.532 10.270 1.830 1.00 0.00 H new ATOM 0 HG21 THR A 97 10.928 9.491 0.361 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.355 8.107 -0.672 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.222 7.894 1.089 1.00 0.00 H new ATOM 1381 N PRO A 98 15.841 8.373 -0.861 1.00 0.00 N ATOM 1382 CA PRO A 98 17.236 8.781 -1.046 1.00 0.00 C ATOM 1383 C PRO A 98 17.522 10.155 -0.449 1.00 0.00 C ATOM 1384 O PRO A 98 16.650 11.021 -0.377 1.00 0.00 O ATOM 1385 CB PRO A 98 17.397 8.816 -2.568 1.00 0.00 C ATOM 1386 CG PRO A 98 16.022 9.050 -3.089 1.00 0.00 C ATOM 1387 CD PRO A 98 15.092 8.361 -2.129 1.00 0.00 C ATOM 0 HA PRO A 98 17.928 8.104 -0.546 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.077 9.610 -2.876 1.00 0.00 H new ATOM 0 HB3 PRO A 98 17.809 7.880 -2.944 1.00 0.00 H new ATOM 0 HG2 PRO A 98 15.803 10.116 -3.147 1.00 0.00 H new ATOM 0 HG3 PRO A 98 15.912 8.647 -4.096 1.00 0.00 H new ATOM 0 HD2 PRO A 98 14.143 8.889 -2.040 1.00 0.00 H new ATOM 0 HD3 PRO A 98 14.863 7.345 -2.451 1.00 0.00 H new ATOM 1395 N PRO A 99 18.773 10.362 -0.011 1.00 0.00 N ATOM 1396 CA PRO A 99 19.202 11.630 0.587 1.00 0.00 C ATOM 1397 C PRO A 99 19.269 12.759 -0.435 1.00 0.00 C ATOM 1398 O PRO A 99 19.731 12.565 -1.559 1.00 0.00 O ATOM 1399 CB PRO A 99 20.600 11.313 1.125 1.00 0.00 C ATOM 1400 CG PRO A 99 21.083 10.183 0.283 1.00 0.00 C ATOM 1401 CD PRO A 99 19.864 9.375 -0.065 1.00 0.00 C ATOM 0 HA PRO A 99 18.505 11.978 1.350 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.260 12.177 1.045 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.565 11.035 2.178 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.578 10.550 -0.616 1.00 0.00 H new ATOM 0 HG3 PRO A 99 21.811 9.578 0.823 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.950 8.924 -1.054 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.705 8.562 0.643 1.00 0.00 H new ATOM 1409 N SER A 100 18.806 13.940 -0.037 1.00 0.00 N ATOM 1410 CA SER A 100 18.810 15.100 -0.920 1.00 0.00 C ATOM 1411 C SER A 100 20.068 15.938 -0.710 1.00 0.00 C ATOM 1412 O SER A 100 20.726 16.342 -1.668 1.00 0.00 O ATOM 1413 CB SER A 100 17.566 15.957 -0.678 1.00 0.00 C ATOM 1414 OG SER A 100 17.695 17.228 -1.289 1.00 0.00 O ATOM 0 H SER A 100 18.423 14.118 0.892 1.00 0.00 H new ATOM 0 HA SER A 100 18.800 14.742 -1.949 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.687 15.448 -1.074 1.00 0.00 H new ATOM 0 HB3 SER A 100 17.408 16.080 0.393 1.00 0.00 H new ATOM 0 HG SER A 100 16.886 17.755 -1.121 1.00 0.00 H new