USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 420 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 Single : A 1 LYS N :NH3+ -147:sc= -0.858 (180deg=-2.53!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.837 F(o=-1.5,f=-0.84) USER MOD Single : A 8 SER OG : rot 72:sc= 0.148 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -53:sc= 0.193 USER MOD Single : A 22 TYR OH : rot 180:sc= -0.308 USER MOD Single : A 23 ASN : amide:sc= 0.0646 K(o=0.065,f=-1.7) USER MOD Single : A 26 SER OG : rot 180:sc= -1.46 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 30:sc= 0.0164 USER MOD Single : A 40 ASN : amide:sc= -1.1! C(o=-1.1!,f=-1.1!) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0705 USER MOD Single : A 42 ASN :FLIP amide:sc= -0.817! F(o=-2.1,f=-0.82!) USER MOD Single : A 43 ASN : amide:sc= -3.46 K(o=-3.5,f=-8.2!) USER MOD Single : A 46 THR OG1 : rot -140:sc= -1.36 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.153 K(o=-0.15,f=-2.8) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -0.143 3.867 -2.958 1.00 31.03 N ATOM 2 CA LYS A 1 -0.064 2.442 -2.661 1.00 23.33 C ATOM 3 C LYS A 1 -0.492 1.610 -3.865 1.00 54.14 C ATOM 4 O LYS A 1 -1.055 2.135 -4.826 1.00 74.35 O ATOM 5 CB LYS A 1 -0.942 2.101 -1.454 1.00 43.53 C ATOM 6 CG LYS A 1 -0.560 0.799 -0.773 1.00 34.24 C ATOM 7 CD LYS A 1 -1.080 0.743 0.654 1.00 4.54 C ATOM 8 CE LYS A 1 -1.684 -0.615 0.975 1.00 12.12 C ATOM 9 NZ LYS A 1 -1.675 -0.895 2.438 1.00 45.22 N ATOM 0 H1 LYS A 1 0.607 4.371 -2.443 1.00 31.03 H new ATOM 0 H2 LYS A 1 -0.022 4.016 -3.980 1.00 31.03 H new ATOM 0 H3 LYS A 1 -1.071 4.232 -2.663 1.00 31.03 H new ATOM 0 HA LYS A 1 0.973 2.203 -2.427 1.00 23.33 H new ATOM 0 HB2 LYS A 1 -0.879 2.912 -0.729 1.00 43.53 H new ATOM 0 HB3 LYS A 1 -1.981 2.041 -1.777 1.00 43.53 H new ATOM 0 HG2 LYS A 1 -0.961 -0.041 -1.341 1.00 34.24 H new ATOM 0 HG3 LYS A 1 0.525 0.693 -0.770 1.00 34.24 H new ATOM 0 HD2 LYS A 1 -0.266 0.953 1.347 1.00 4.54 H new ATOM 0 HD3 LYS A 1 -1.831 1.520 0.799 1.00 4.54 H new ATOM 0 HE2 LYS A 1 -2.708 -0.654 0.604 1.00 12.12 H new ATOM 0 HE3 LYS A 1 -1.127 -1.393 0.453 1.00 12.12 H new ATOM 0 HZ1 LYS A 1 -2.095 -1.830 2.615 1.00 45.22 H new ATOM 0 HZ2 LYS A 1 -0.696 -0.884 2.788 1.00 45.22 H new ATOM 0 HZ3 LYS A 1 -2.228 -0.167 2.934 1.00 45.22 H new ATOM 23 N LYS A 2 -0.224 0.310 -3.807 1.00 2.11 N ATOM 24 CA LYS A 2 -0.584 -0.596 -4.891 1.00 41.54 C ATOM 25 C LYS A 2 0.104 -0.189 -6.191 1.00 24.44 C ATOM 26 O LYS A 2 -0.306 -0.598 -7.277 1.00 52.01 O ATOM 27 CB LYS A 2 -2.101 -0.610 -5.089 1.00 15.03 C ATOM 28 CG LYS A 2 -2.618 -1.881 -5.741 1.00 41.42 C ATOM 29 CD LYS A 2 -3.637 -1.576 -6.826 1.00 42.24 C ATOM 30 CE LYS A 2 -5.050 -1.524 -6.266 1.00 3.13 C ATOM 31 NZ LYS A 2 -6.069 -1.388 -7.343 1.00 12.45 N ATOM 0 H LYS A 2 0.242 -0.140 -3.019 1.00 2.11 H new ATOM 0 HA LYS A 2 -0.249 -1.597 -4.620 1.00 41.54 H new ATOM 0 HB2 LYS A 2 -2.586 -0.485 -4.121 1.00 15.03 H new ATOM 0 HB3 LYS A 2 -2.387 0.245 -5.702 1.00 15.03 H new ATOM 0 HG2 LYS A 2 -1.784 -2.436 -6.170 1.00 41.42 H new ATOM 0 HG3 LYS A 2 -3.072 -2.521 -4.984 1.00 41.42 H new ATOM 0 HD2 LYS A 2 -3.395 -0.622 -7.296 1.00 42.24 H new ATOM 0 HD3 LYS A 2 -3.581 -2.338 -7.604 1.00 42.24 H new ATOM 0 HE2 LYS A 2 -5.247 -2.430 -5.692 1.00 3.13 H new ATOM 0 HE3 LYS A 2 -5.137 -0.685 -5.576 1.00 3.13 H new ATOM 0 HZ1 LYS A 2 -7.019 -1.356 -6.920 1.00 12.45 H new ATOM 0 HZ2 LYS A 2 -5.897 -0.511 -7.875 1.00 12.45 H new ATOM 0 HZ3 LYS A 2 -6.004 -2.202 -7.987 1.00 12.45 H new ATOM 45 N LYS A 3 1.154 0.616 -6.072 1.00 24.02 N ATOM 46 CA LYS A 3 1.902 1.076 -7.236 1.00 64.40 C ATOM 47 C LYS A 3 2.362 -0.103 -8.088 1.00 33.52 C ATOM 48 O LYS A 3 2.611 0.042 -9.285 1.00 14.00 O ATOM 49 CB LYS A 3 3.112 1.903 -6.796 1.00 65.24 C ATOM 50 CG LYS A 3 2.795 3.371 -6.568 1.00 63.41 C ATOM 51 CD LYS A 3 3.109 3.794 -5.143 1.00 30.32 C ATOM 52 CE LYS A 3 2.444 5.117 -4.795 1.00 31.41 C ATOM 53 NZ LYS A 3 3.444 6.174 -4.478 1.00 32.44 N ATOM 0 H LYS A 3 1.507 0.964 -5.180 1.00 24.02 H new ATOM 0 HA LYS A 3 1.242 1.701 -7.837 1.00 64.40 H new ATOM 0 HB2 LYS A 3 3.516 1.480 -5.876 1.00 65.24 H new ATOM 0 HB3 LYS A 3 3.892 1.822 -7.553 1.00 65.24 H new ATOM 0 HG2 LYS A 3 3.370 3.981 -7.265 1.00 63.41 H new ATOM 0 HG3 LYS A 3 1.741 3.554 -6.779 1.00 63.41 H new ATOM 0 HD2 LYS A 3 2.772 3.023 -4.451 1.00 30.32 H new ATOM 0 HD3 LYS A 3 4.188 3.884 -5.018 1.00 30.32 H new ATOM 0 HE2 LYS A 3 1.824 5.443 -5.630 1.00 31.41 H new ATOM 0 HE3 LYS A 3 1.781 4.977 -3.941 1.00 31.41 H new ATOM 0 HZ1 LYS A 3 2.951 7.060 -4.246 1.00 32.44 H new ATOM 0 HZ2 LYS A 3 4.019 5.875 -3.665 1.00 32.44 H new ATOM 0 HZ3 LYS A 3 4.061 6.326 -5.301 1.00 32.44 H new ATOM 67 N CYS A 4 2.471 -1.271 -7.464 1.00 32.53 N ATOM 68 CA CYS A 4 2.899 -2.476 -8.164 1.00 71.30 C ATOM 69 C CYS A 4 2.007 -2.750 -9.372 1.00 12.44 C ATOM 70 O CYS A 4 2.426 -3.397 -10.331 1.00 10.52 O ATOM 71 CB CYS A 4 2.876 -3.678 -7.217 1.00 13.53 C ATOM 72 SG CYS A 4 3.190 -5.275 -8.034 1.00 30.01 S ATOM 0 H CYS A 4 2.269 -1.409 -6.474 1.00 32.53 H new ATOM 0 HA CYS A 4 3.919 -2.318 -8.515 1.00 71.30 H new ATOM 0 HB2 CYS A 4 3.623 -3.527 -6.438 1.00 13.53 H new ATOM 0 HB3 CYS A 4 1.905 -3.719 -6.723 1.00 13.53 H new ATOM 77 N GLN A 5 0.776 -2.252 -9.316 1.00 12.44 N ATOM 78 CA GLN A 5 -0.175 -2.443 -10.404 1.00 52.43 C ATOM 79 C GLN A 5 -0.906 -1.142 -10.723 1.00 64.34 C ATOM 80 O GLN A 5 -2.020 -0.912 -10.251 1.00 44.40 O ATOM 81 CB GLN A 5 -1.185 -3.533 -10.042 1.00 61.03 C ATOM 82 CG GLN A 5 -1.436 -3.658 -8.548 1.00 52.32 C ATOM 83 CD GLN A 5 -2.553 -4.630 -8.223 1.00 62.34 C ATOM 84 OE1 GLN A 5 -3.707 -4.438 -8.851 1.00 51.20 O flip ATOM 85 NE2 GLN A 5 -2.380 -5.545 -7.417 1.00 11.11 N flip ATOM 0 H GLN A 5 0.414 -1.713 -8.529 1.00 12.44 H new ATOM 0 HA GLN A 5 0.381 -2.753 -11.289 1.00 52.43 H new ATOM 0 HB2 GLN A 5 -2.129 -3.323 -10.544 1.00 61.03 H new ATOM 0 HB3 GLN A 5 -0.827 -4.489 -10.423 1.00 61.03 H new ATOM 0 HG2 GLN A 5 -0.520 -3.985 -8.056 1.00 52.32 H new ATOM 0 HG3 GLN A 5 -1.683 -2.677 -8.142 1.00 52.32 H new ATOM 0 HE21 GLN A 5 -1.476 -5.656 -6.957 1.00 11.11 H new ATOM 0 HE22 GLN A 5 -3.140 -6.192 -7.209 1.00 11.11 H new ATOM 94 N LEU A 6 -0.272 -0.295 -11.527 1.00 22.51 N ATOM 95 CA LEU A 6 -0.861 0.983 -11.909 1.00 73.04 C ATOM 96 C LEU A 6 -0.975 1.098 -13.426 1.00 53.01 C ATOM 97 O LEU A 6 -0.149 0.579 -14.177 1.00 4.25 O ATOM 98 CB LEU A 6 -0.022 2.138 -11.361 1.00 14.45 C ATOM 99 CG LEU A 6 -0.424 2.663 -9.982 1.00 1.43 C ATOM 100 CD1 LEU A 6 -1.452 3.776 -10.113 1.00 11.31 C ATOM 101 CD2 LEU A 6 -0.965 1.534 -9.118 1.00 32.23 C ATOM 0 H LEU A 6 0.650 -0.471 -11.927 1.00 22.51 H new ATOM 0 HA LEU A 6 -1.863 1.035 -11.482 1.00 73.04 H new ATOM 0 HB2 LEU A 6 1.018 1.816 -11.316 1.00 14.45 H new ATOM 0 HB3 LEU A 6 -0.070 2.964 -12.070 1.00 14.45 H new ATOM 0 HG LEU A 6 0.463 3.071 -9.498 1.00 1.43 H new ATOM 0 HD11 LEU A 6 -1.726 4.137 -9.122 1.00 11.31 H new ATOM 0 HD12 LEU A 6 -1.029 4.596 -10.693 1.00 11.31 H new ATOM 0 HD13 LEU A 6 -2.339 3.394 -10.618 1.00 11.31 H new ATOM 0 HD21 LEU A 6 -1.246 1.926 -8.141 1.00 32.23 H new ATOM 0 HD22 LEU A 6 -1.840 1.096 -9.598 1.00 32.23 H new ATOM 0 HD23 LEU A 6 -0.197 0.770 -8.995 1.00 32.23 H new ATOM 113 N PRO A 7 -2.023 1.796 -13.890 1.00 23.12 N ATOM 114 CA PRO A 7 -2.268 1.998 -15.321 1.00 12.12 C ATOM 115 C PRO A 7 -1.241 2.927 -15.960 1.00 14.15 C ATOM 116 O PRO A 7 -0.949 4.001 -15.433 1.00 31.41 O ATOM 117 CB PRO A 7 -3.660 2.635 -15.355 1.00 62.45 C ATOM 118 CG PRO A 7 -3.806 3.297 -14.029 1.00 54.33 C ATOM 119 CD PRO A 7 -3.048 2.442 -13.053 1.00 24.12 C ATOM 0 HA PRO A 7 -2.196 1.067 -15.883 1.00 12.12 H new ATOM 0 HB2 PRO A 7 -3.746 3.355 -16.169 1.00 62.45 H new ATOM 0 HB3 PRO A 7 -4.435 1.885 -15.510 1.00 62.45 H new ATOM 0 HG2 PRO A 7 -3.406 4.310 -14.053 1.00 54.33 H new ATOM 0 HG3 PRO A 7 -4.856 3.376 -13.746 1.00 54.33 H new ATOM 0 HD2 PRO A 7 -2.600 3.039 -12.259 1.00 24.12 H new ATOM 0 HD3 PRO A 7 -3.696 1.708 -12.573 1.00 24.12 H new ATOM 127 N SER A 8 -0.697 2.507 -17.097 1.00 54.34 N ATOM 128 CA SER A 8 0.300 3.301 -17.806 1.00 74.23 C ATOM 129 C SER A 8 -0.301 4.614 -18.298 1.00 2.41 C ATOM 130 O SER A 8 -1.337 4.626 -18.962 1.00 34.20 O ATOM 131 CB SER A 8 0.864 2.511 -18.989 1.00 22.03 C ATOM 132 OG SER A 8 0.228 1.250 -19.110 1.00 44.41 O ATOM 0 H SER A 8 -0.929 1.622 -17.547 1.00 54.34 H new ATOM 0 HA SER A 8 1.108 3.529 -17.111 1.00 74.23 H new ATOM 0 HB2 SER A 8 0.728 3.080 -19.909 1.00 22.03 H new ATOM 0 HB3 SER A 8 1.937 2.370 -18.858 1.00 22.03 H new ATOM 0 HG SER A 8 -0.688 1.375 -19.436 1.00 44.41 H new ATOM 138 N ASP A 9 0.358 5.719 -17.967 1.00 2.23 N ATOM 139 CA ASP A 9 -0.109 7.039 -18.375 1.00 5.35 C ATOM 140 C ASP A 9 1.030 7.856 -18.977 1.00 62.04 C ATOM 141 O ASP A 9 1.838 8.442 -18.256 1.00 72.30 O ATOM 142 CB ASP A 9 -0.709 7.783 -17.181 1.00 33.45 C ATOM 143 CG ASP A 9 -2.163 7.422 -16.946 1.00 21.33 C ATOM 144 OD1 ASP A 9 -2.424 6.316 -16.427 1.00 62.45 O ATOM 145 OD2 ASP A 9 -3.040 8.246 -17.279 1.00 63.32 O ATOM 0 H ASP A 9 1.217 5.727 -17.417 1.00 2.23 H new ATOM 0 HA ASP A 9 -0.879 6.906 -19.135 1.00 5.35 H new ATOM 0 HB2 ASP A 9 -0.131 7.553 -16.286 1.00 33.45 H new ATOM 0 HB3 ASP A 9 -0.626 8.857 -17.347 1.00 33.45 H new ATOM 150 N VAL A 10 1.089 7.890 -20.305 1.00 23.40 N ATOM 151 CA VAL A 10 2.129 8.634 -21.005 1.00 50.23 C ATOM 152 C VAL A 10 2.000 10.132 -20.749 1.00 30.51 C ATOM 153 O VAL A 10 2.994 10.856 -20.725 1.00 21.22 O ATOM 154 CB VAL A 10 2.077 8.378 -22.523 1.00 50.12 C ATOM 155 CG1 VAL A 10 0.865 9.061 -23.139 1.00 22.11 C ATOM 156 CG2 VAL A 10 3.361 8.852 -23.187 1.00 51.03 C ATOM 0 H VAL A 10 0.429 7.411 -20.917 1.00 23.40 H new ATOM 0 HA VAL A 10 3.085 8.283 -20.617 1.00 50.23 H new ATOM 0 HB VAL A 10 1.983 7.305 -22.690 1.00 50.12 H new ATOM 0 HG11 VAL A 10 0.845 8.869 -24.212 1.00 22.11 H new ATOM 0 HG12 VAL A 10 -0.044 8.669 -22.683 1.00 22.11 H new ATOM 0 HG13 VAL A 10 0.925 10.135 -22.964 1.00 22.11 H new ATOM 0 HG21 VAL A 10 3.307 8.663 -24.259 1.00 51.03 H new ATOM 0 HG22 VAL A 10 3.488 9.920 -23.012 1.00 51.03 H new ATOM 0 HG23 VAL A 10 4.209 8.312 -22.766 1.00 51.03 H new ATOM 166 N GLY A 11 0.767 10.590 -20.557 1.00 75.40 N ATOM 167 CA GLY A 11 0.530 11.999 -20.304 1.00 75.13 C ATOM 168 C GLY A 11 1.112 12.888 -21.385 1.00 62.31 C ATOM 169 O GLY A 11 1.334 12.444 -22.512 1.00 54.32 O ATOM 0 H GLY A 11 -0.072 10.010 -20.572 1.00 75.40 H new ATOM 0 HA2 GLY A 11 -0.543 12.176 -20.231 1.00 75.13 H new ATOM 0 HA3 GLY A 11 0.964 12.270 -19.342 1.00 75.13 H new ATOM 173 N LYS A 12 1.360 14.147 -21.043 1.00 41.40 N ATOM 174 CA LYS A 12 1.920 15.102 -21.992 1.00 2.41 C ATOM 175 C LYS A 12 3.318 15.538 -21.565 1.00 24.52 C ATOM 176 O LYS A 12 3.730 15.309 -20.428 1.00 62.54 O ATOM 177 CB LYS A 12 1.009 16.326 -22.114 1.00 32.22 C ATOM 178 CG LYS A 12 0.320 16.703 -20.814 1.00 2.24 C ATOM 179 CD LYS A 12 -1.051 16.059 -20.701 1.00 73.15 C ATOM 180 CE LYS A 12 -1.699 16.357 -19.358 1.00 52.31 C ATOM 181 NZ LYS A 12 -1.355 15.331 -18.336 1.00 22.50 N ATOM 0 H LYS A 12 1.182 14.531 -20.115 1.00 41.40 H new ATOM 0 HA LYS A 12 1.992 14.611 -22.963 1.00 2.41 H new ATOM 0 HB2 LYS A 12 1.599 17.174 -22.462 1.00 32.22 H new ATOM 0 HB3 LYS A 12 0.252 16.131 -22.873 1.00 32.22 H new ATOM 0 HG2 LYS A 12 0.938 16.394 -19.971 1.00 2.24 H new ATOM 0 HG3 LYS A 12 0.220 17.787 -20.756 1.00 2.24 H new ATOM 0 HD2 LYS A 12 -1.692 16.423 -21.504 1.00 73.15 H new ATOM 0 HD3 LYS A 12 -0.959 14.981 -20.830 1.00 73.15 H new ATOM 0 HE2 LYS A 12 -1.377 17.339 -19.010 1.00 52.31 H new ATOM 0 HE3 LYS A 12 -2.781 16.400 -19.479 1.00 52.31 H new ATOM 0 HZ1 LYS A 12 -1.816 15.570 -17.435 1.00 22.50 H new ATOM 0 HZ2 LYS A 12 -1.684 14.398 -18.656 1.00 22.50 H new ATOM 0 HZ3 LYS A 12 -0.324 15.307 -18.202 1.00 22.50 H new ATOM 195 N GLY A 13 4.044 16.168 -22.484 1.00 12.03 N ATOM 196 CA GLY A 13 5.387 16.626 -22.182 1.00 43.30 C ATOM 197 C GLY A 13 6.258 16.723 -23.419 1.00 24.42 C ATOM 198 O GLY A 13 5.826 16.383 -24.520 1.00 71.14 O ATOM 0 H GLY A 13 3.726 16.369 -23.432 1.00 12.03 H new ATOM 0 HA2 GLY A 13 5.335 17.603 -21.701 1.00 43.30 H new ATOM 0 HA3 GLY A 13 5.849 15.943 -21.469 1.00 43.30 H new ATOM 202 N LYS A 14 7.490 17.189 -23.239 1.00 35.45 N ATOM 203 CA LYS A 14 8.425 17.330 -24.348 1.00 72.12 C ATOM 204 C LYS A 14 9.340 16.114 -24.446 1.00 64.22 C ATOM 205 O LYS A 14 10.009 15.908 -25.459 1.00 14.41 O ATOM 206 CB LYS A 14 9.262 18.600 -24.178 1.00 21.51 C ATOM 207 CG LYS A 14 8.435 19.873 -24.136 1.00 72.34 C ATOM 208 CD LYS A 14 7.988 20.202 -22.722 1.00 25.23 C ATOM 209 CE LYS A 14 7.376 21.591 -22.640 1.00 14.43 C ATOM 210 NZ LYS A 14 8.408 22.640 -22.410 1.00 53.12 N ATOM 0 H LYS A 14 7.864 17.475 -22.334 1.00 35.45 H new ATOM 0 HA LYS A 14 7.848 17.403 -25.270 1.00 72.12 H new ATOM 0 HB2 LYS A 14 9.841 18.523 -23.258 1.00 21.51 H new ATOM 0 HB3 LYS A 14 9.976 18.667 -24.999 1.00 21.51 H new ATOM 0 HG2 LYS A 14 9.020 20.701 -24.535 1.00 72.34 H new ATOM 0 HG3 LYS A 14 7.561 19.761 -24.778 1.00 72.34 H new ATOM 0 HD2 LYS A 14 7.260 19.462 -22.388 1.00 25.23 H new ATOM 0 HD3 LYS A 14 8.840 20.138 -22.046 1.00 25.23 H new ATOM 0 HE2 LYS A 14 6.839 21.806 -23.564 1.00 14.43 H new ATOM 0 HE3 LYS A 14 6.644 21.618 -21.832 1.00 14.43 H new ATOM 0 HZ1 LYS A 14 7.950 23.572 -22.360 1.00 53.12 H new ATOM 0 HZ2 LYS A 14 8.903 22.449 -21.516 1.00 53.12 H new ATOM 0 HZ3 LYS A 14 9.092 22.632 -23.193 1.00 53.12 H new ATOM 224 N ALA A 15 9.365 15.310 -23.388 1.00 55.10 N ATOM 225 CA ALA A 15 10.195 14.113 -23.357 1.00 22.20 C ATOM 226 C ALA A 15 9.525 12.960 -24.097 1.00 51.32 C ATOM 227 O ALA A 15 8.450 13.122 -24.675 1.00 10.44 O ATOM 228 CB ALA A 15 10.495 13.716 -21.919 1.00 62.32 C ATOM 0 H ALA A 15 8.819 15.467 -22.541 1.00 55.10 H new ATOM 0 HA ALA A 15 11.133 14.339 -23.864 1.00 22.20 H new ATOM 0 HB1 ALA A 15 11.116 12.820 -21.911 1.00 62.32 H new ATOM 0 HB2 ALA A 15 11.023 14.528 -21.420 1.00 62.32 H new ATOM 0 HB3 ALA A 15 9.561 13.515 -21.395 1.00 62.32 H new ATOM 234 N SER A 16 10.167 11.797 -24.077 1.00 30.45 N ATOM 235 CA SER A 16 9.635 10.618 -24.750 1.00 33.22 C ATOM 236 C SER A 16 10.558 9.419 -24.557 1.00 31.42 C ATOM 237 O SER A 16 10.836 8.677 -25.499 1.00 63.21 O ATOM 238 CB SER A 16 9.449 10.897 -26.242 1.00 55.54 C ATOM 239 OG SER A 16 8.242 10.330 -26.721 1.00 74.30 O ATOM 0 H SER A 16 11.057 11.646 -23.602 1.00 30.45 H new ATOM 0 HA SER A 16 8.667 10.384 -24.308 1.00 33.22 H new ATOM 0 HB2 SER A 16 9.443 11.973 -26.416 1.00 55.54 H new ATOM 0 HB3 SER A 16 10.292 10.489 -26.799 1.00 55.54 H new ATOM 0 HG SER A 16 8.146 10.524 -27.677 1.00 74.30 H new ATOM 245 N PHE A 17 11.030 9.235 -23.328 1.00 50.22 N ATOM 246 CA PHE A 17 11.923 8.127 -23.010 1.00 0.21 C ATOM 247 C PHE A 17 11.139 6.935 -22.469 1.00 61.23 C ATOM 248 O PHE A 17 10.076 7.096 -21.869 1.00 21.04 O ATOM 249 CB PHE A 17 12.973 8.568 -21.987 1.00 74.24 C ATOM 250 CG PHE A 17 14.113 7.601 -21.844 1.00 41.05 C ATOM 251 CD1 PHE A 17 15.188 7.644 -22.717 1.00 64.22 C ATOM 252 CD2 PHE A 17 14.110 6.649 -20.838 1.00 13.14 C ATOM 253 CE1 PHE A 17 16.240 6.756 -22.588 1.00 72.23 C ATOM 254 CE2 PHE A 17 15.158 5.759 -20.704 1.00 24.14 C ATOM 255 CZ PHE A 17 16.224 5.812 -21.581 1.00 21.54 C ATOM 0 H PHE A 17 10.809 9.839 -22.536 1.00 50.22 H new ATOM 0 HA PHE A 17 12.425 7.823 -23.928 1.00 0.21 H new ATOM 0 HB2 PHE A 17 13.367 9.541 -22.279 1.00 74.24 H new ATOM 0 HB3 PHE A 17 12.492 8.697 -21.017 1.00 74.24 H new ATOM 0 HD1 PHE A 17 15.204 8.380 -23.507 1.00 64.22 H new ATOM 0 HD2 PHE A 17 13.279 6.602 -20.150 1.00 13.14 H new ATOM 0 HE1 PHE A 17 17.073 6.801 -23.274 1.00 72.23 H new ATOM 0 HE2 PHE A 17 15.144 5.022 -19.914 1.00 24.14 H new ATOM 0 HZ PHE A 17 17.044 5.116 -21.479 1.00 21.54 H new ATOM 265 N THR A 18 11.671 5.736 -22.687 1.00 43.24 N ATOM 266 CA THR A 18 11.022 4.516 -22.225 1.00 2.13 C ATOM 267 C THR A 18 11.571 4.081 -20.871 1.00 12.14 C ATOM 268 O THR A 18 12.783 4.077 -20.654 1.00 34.53 O ATOM 269 CB THR A 18 11.204 3.366 -23.233 1.00 60.10 C ATOM 270 OG1 THR A 18 10.643 2.159 -22.706 1.00 34.23 O ATOM 271 CG2 THR A 18 12.676 3.151 -23.549 1.00 25.32 C ATOM 0 H THR A 18 12.550 5.584 -23.181 1.00 43.24 H new ATOM 0 HA THR A 18 9.960 4.740 -22.129 1.00 2.13 H new ATOM 0 HB THR A 18 10.687 3.635 -24.154 1.00 60.10 H new ATOM 0 HG1 THR A 18 10.761 1.433 -23.354 1.00 34.23 H new ATOM 0 HG21 THR A 18 12.779 2.334 -24.263 1.00 25.32 H new ATOM 0 HG22 THR A 18 13.093 4.062 -23.978 1.00 25.32 H new ATOM 0 HG23 THR A 18 13.212 2.903 -22.633 1.00 25.32 H new ATOM 279 N ARG A 19 10.672 3.715 -19.963 1.00 14.31 N ATOM 280 CA ARG A 19 11.066 3.279 -18.629 1.00 64.21 C ATOM 281 C ARG A 19 10.441 1.928 -18.292 1.00 3.43 C ATOM 282 O ARG A 19 9.490 1.494 -18.941 1.00 71.33 O ATOM 283 CB ARG A 19 10.654 4.319 -17.586 1.00 34.21 C ATOM 284 CG ARG A 19 10.918 5.752 -18.017 1.00 53.21 C ATOM 285 CD ARG A 19 11.471 6.586 -16.872 1.00 31.42 C ATOM 286 NE ARG A 19 10.963 7.955 -16.896 1.00 21.40 N ATOM 287 CZ ARG A 19 11.457 8.908 -17.678 1.00 71.12 C ATOM 288 NH1 ARG A 19 12.466 8.642 -18.496 1.00 51.33 N ATOM 289 NH2 ARG A 19 10.941 10.130 -17.643 1.00 60.03 N ATOM 0 H ARG A 19 9.665 3.712 -20.127 1.00 14.31 H new ATOM 0 HA ARG A 19 12.151 3.172 -18.615 1.00 64.21 H new ATOM 0 HB2 ARG A 19 9.592 4.203 -17.370 1.00 34.21 H new ATOM 0 HB3 ARG A 19 11.191 4.123 -16.658 1.00 34.21 H new ATOM 0 HG2 ARG A 19 11.624 5.759 -18.847 1.00 53.21 H new ATOM 0 HG3 ARG A 19 9.993 6.200 -18.381 1.00 53.21 H new ATOM 0 HD2 ARG A 19 11.208 6.118 -15.923 1.00 31.42 H new ATOM 0 HD3 ARG A 19 12.559 6.602 -16.928 1.00 31.42 H new ATOM 0 HE ARG A 19 10.187 8.192 -16.279 1.00 21.40 H new ATOM 0 HH11 ARG A 19 12.865 7.704 -18.526 1.00 51.33 H new ATOM 0 HH12 ARG A 19 12.844 9.376 -19.096 1.00 51.33 H new ATOM 0 HH21 ARG A 19 10.164 10.338 -17.015 1.00 60.03 H new ATOM 0 HH22 ARG A 19 11.321 10.861 -18.244 1.00 60.03 H new ATOM 303 N TYR A 20 10.983 1.270 -17.273 1.00 75.10 N ATOM 304 CA TYR A 20 10.480 -0.032 -16.851 1.00 61.32 C ATOM 305 C TYR A 20 9.474 0.114 -15.714 1.00 10.32 C ATOM 306 O TYR A 20 9.544 1.057 -14.925 1.00 42.32 O ATOM 307 CB TYR A 20 11.637 -0.931 -16.411 1.00 2.52 C ATOM 308 CG TYR A 20 12.127 -1.862 -17.496 1.00 65.21 C ATOM 309 CD1 TYR A 20 12.991 -1.413 -18.488 1.00 15.33 C ATOM 310 CD2 TYR A 20 11.728 -3.193 -17.529 1.00 41.32 C ATOM 311 CE1 TYR A 20 13.440 -2.260 -19.481 1.00 62.34 C ATOM 312 CE2 TYR A 20 12.174 -4.048 -18.518 1.00 51.03 C ATOM 313 CZ TYR A 20 13.029 -3.577 -19.492 1.00 43.14 C ATOM 314 OH TYR A 20 13.476 -4.425 -20.480 1.00 1.22 O ATOM 0 H TYR A 20 11.770 1.617 -16.724 1.00 75.10 H new ATOM 0 HA TYR A 20 9.975 -0.490 -17.701 1.00 61.32 H new ATOM 0 HB2 TYR A 20 12.466 -0.306 -16.079 1.00 2.52 H new ATOM 0 HB3 TYR A 20 11.320 -1.523 -15.552 1.00 2.52 H new ATOM 0 HD1 TYR A 20 13.317 -0.383 -18.482 1.00 15.33 H new ATOM 0 HD2 TYR A 20 11.058 -3.565 -16.768 1.00 41.32 H new ATOM 0 HE1 TYR A 20 14.109 -1.894 -20.245 1.00 62.34 H new ATOM 0 HE2 TYR A 20 11.855 -5.080 -18.528 1.00 51.03 H new ATOM 0 HH TYR A 20 13.094 -5.317 -20.343 1.00 1.22 H new ATOM 324 N TYR A 21 8.539 -0.826 -15.635 1.00 52.35 N ATOM 325 CA TYR A 21 7.516 -0.802 -14.596 1.00 42.23 C ATOM 326 C TYR A 21 7.067 -2.216 -14.241 1.00 41.04 C ATOM 327 O TYR A 21 7.048 -3.106 -15.092 1.00 44.43 O ATOM 328 CB TYR A 21 6.315 0.027 -15.053 1.00 13.42 C ATOM 329 CG TYR A 21 5.529 -0.612 -16.175 1.00 33.31 C ATOM 330 CD1 TYR A 21 4.556 -1.568 -15.911 1.00 75.12 C ATOM 331 CD2 TYR A 21 5.759 -0.260 -17.499 1.00 52.12 C ATOM 332 CE1 TYR A 21 3.836 -2.156 -16.933 1.00 53.45 C ATOM 333 CE2 TYR A 21 5.043 -0.841 -18.528 1.00 32.12 C ATOM 334 CZ TYR A 21 4.083 -1.789 -18.240 1.00 12.31 C ATOM 335 OH TYR A 21 3.367 -2.371 -19.261 1.00 11.50 O ATOM 0 H TYR A 21 8.468 -1.614 -16.278 1.00 52.35 H new ATOM 0 HA TYR A 21 7.948 -0.344 -13.706 1.00 42.23 H new ATOM 0 HB2 TYR A 21 5.652 0.190 -14.203 1.00 13.42 H new ATOM 0 HB3 TYR A 21 6.663 1.007 -15.378 1.00 13.42 H new ATOM 0 HD1 TYR A 21 4.359 -1.856 -14.889 1.00 75.12 H new ATOM 0 HD2 TYR A 21 6.511 0.481 -17.728 1.00 52.12 H new ATOM 0 HE1 TYR A 21 3.084 -2.899 -16.710 1.00 53.45 H new ATOM 0 HE2 TYR A 21 5.234 -0.555 -19.552 1.00 32.12 H new ATOM 0 HH TYR A 21 3.428 -3.346 -19.189 1.00 11.50 H new ATOM 345 N TYR A 22 6.705 -2.415 -12.979 1.00 24.11 N ATOM 346 CA TYR A 22 6.258 -3.721 -12.509 1.00 13.31 C ATOM 347 C TYR A 22 4.735 -3.814 -12.527 1.00 50.44 C ATOM 348 O TYR A 22 4.039 -2.839 -12.246 1.00 43.34 O ATOM 349 CB TYR A 22 6.779 -3.983 -11.095 1.00 33.40 C ATOM 350 CG TYR A 22 6.745 -5.442 -10.699 1.00 21.15 C ATOM 351 CD1 TYR A 22 5.547 -6.067 -10.376 1.00 13.15 C ATOM 352 CD2 TYR A 22 7.911 -6.195 -10.646 1.00 24.31 C ATOM 353 CE1 TYR A 22 5.511 -7.399 -10.012 1.00 60.30 C ATOM 354 CE2 TYR A 22 7.885 -7.528 -10.285 1.00 20.50 C ATOM 355 CZ TYR A 22 6.683 -8.126 -9.969 1.00 13.22 C ATOM 356 OH TYR A 22 6.652 -9.453 -9.607 1.00 64.23 O ATOM 0 H TYR A 22 6.712 -1.689 -12.263 1.00 24.11 H new ATOM 0 HA TYR A 22 6.659 -4.478 -13.183 1.00 13.31 H new ATOM 0 HB2 TYR A 22 7.804 -3.619 -11.021 1.00 33.40 H new ATOM 0 HB3 TYR A 22 6.184 -3.408 -10.385 1.00 33.40 H new ATOM 0 HD1 TYR A 22 4.628 -5.501 -10.410 1.00 13.15 H new ATOM 0 HD2 TYR A 22 8.854 -5.730 -10.891 1.00 24.31 H new ATOM 0 HE1 TYR A 22 4.571 -7.869 -9.763 1.00 60.30 H new ATOM 0 HE2 TYR A 22 8.801 -8.099 -10.250 1.00 20.50 H new ATOM 0 HH TYR A 22 7.561 -9.819 -9.628 1.00 64.23 H new ATOM 366 N ASN A 23 4.225 -4.995 -12.860 1.00 53.11 N ATOM 367 CA ASN A 23 2.784 -5.217 -12.916 1.00 24.05 C ATOM 368 C ASN A 23 2.413 -6.545 -12.262 1.00 2.44 C ATOM 369 O ASN A 23 3.176 -7.508 -12.315 1.00 63.43 O ATOM 370 CB ASN A 23 2.300 -5.197 -14.367 1.00 31.43 C ATOM 371 CG ASN A 23 3.407 -5.523 -15.350 1.00 42.44 C ATOM 372 OD1 ASN A 23 4.298 -4.708 -15.590 1.00 44.15 O ATOM 373 ND2 ASN A 23 3.355 -6.718 -15.925 1.00 63.54 N ATOM 0 H ASN A 23 4.787 -5.813 -13.095 1.00 53.11 H new ATOM 0 HA ASN A 23 2.295 -4.412 -12.366 1.00 24.05 H new ATOM 0 HB2 ASN A 23 1.489 -5.915 -14.486 1.00 31.43 H new ATOM 0 HB3 ASN A 23 1.891 -4.213 -14.597 1.00 31.43 H new ATOM 0 HD21 ASN A 23 4.072 -6.993 -16.596 1.00 63.54 H new ATOM 0 HD22 ASN A 23 2.598 -7.362 -15.696 1.00 63.54 H new ATOM 380 N GLU A 24 1.236 -6.586 -11.645 1.00 50.24 N ATOM 381 CA GLU A 24 0.764 -7.795 -10.981 1.00 62.11 C ATOM 382 C GLU A 24 0.094 -8.737 -11.977 1.00 52.24 C ATOM 383 O GLU A 24 0.380 -8.697 -13.173 1.00 52.44 O ATOM 384 CB GLU A 24 -0.215 -7.439 -9.861 1.00 31.24 C ATOM 385 CG GLU A 24 -0.023 -8.264 -8.599 1.00 62.44 C ATOM 386 CD GLU A 24 1.270 -7.936 -7.879 1.00 3.03 C ATOM 387 OE1 GLU A 24 2.346 -8.313 -8.388 1.00 22.22 O ATOM 388 OE2 GLU A 24 1.206 -7.301 -6.805 1.00 54.02 O ATOM 0 H GLU A 24 0.593 -5.796 -11.591 1.00 50.24 H new ATOM 0 HA GLU A 24 1.627 -8.303 -10.551 1.00 62.11 H new ATOM 0 HB2 GLU A 24 -0.104 -6.383 -9.615 1.00 31.24 H new ATOM 0 HB3 GLU A 24 -1.234 -7.576 -10.223 1.00 31.24 H new ATOM 0 HG2 GLU A 24 -0.863 -8.092 -7.926 1.00 62.44 H new ATOM 0 HG3 GLU A 24 -0.032 -9.323 -8.857 1.00 62.44 H new ATOM 395 N GLU A 25 -0.799 -9.583 -11.474 1.00 21.51 N ATOM 396 CA GLU A 25 -1.509 -10.536 -12.319 1.00 62.14 C ATOM 397 C GLU A 25 -0.553 -11.588 -12.874 1.00 71.53 C ATOM 398 O GLU A 25 -0.925 -12.390 -13.731 1.00 51.14 O ATOM 399 CB GLU A 25 -2.208 -9.809 -13.470 1.00 3.21 C ATOM 400 CG GLU A 25 -3.621 -10.302 -13.733 1.00 65.20 C ATOM 401 CD GLU A 25 -4.134 -9.898 -15.101 1.00 72.34 C ATOM 402 OE1 GLU A 25 -3.899 -10.651 -16.070 1.00 13.32 O ATOM 403 OE2 GLU A 25 -4.772 -8.829 -15.203 1.00 64.01 O ATOM 0 H GLU A 25 -1.048 -9.628 -10.486 1.00 21.51 H new ATOM 0 HA GLU A 25 -2.259 -11.037 -11.707 1.00 62.14 H new ATOM 0 HB2 GLU A 25 -2.240 -8.742 -13.249 1.00 3.21 H new ATOM 0 HB3 GLU A 25 -1.616 -9.929 -14.377 1.00 3.21 H new ATOM 0 HG2 GLU A 25 -3.645 -11.388 -13.646 1.00 65.20 H new ATOM 0 HG3 GLU A 25 -4.288 -9.906 -12.967 1.00 65.20 H new ATOM 410 N SER A 26 0.680 -11.579 -12.379 1.00 44.13 N ATOM 411 CA SER A 26 1.692 -12.529 -12.828 1.00 14.10 C ATOM 412 C SER A 26 3.055 -12.193 -12.233 1.00 4.54 C ATOM 413 O SER A 26 3.908 -13.065 -12.074 1.00 3.22 O ATOM 414 CB SER A 26 1.776 -12.532 -14.356 1.00 22.55 C ATOM 415 OG SER A 26 3.000 -13.095 -14.797 1.00 53.32 O ATOM 0 H SER A 26 1.003 -10.924 -11.667 1.00 44.13 H new ATOM 0 HA SER A 26 1.401 -13.522 -12.485 1.00 14.10 H new ATOM 0 HB2 SER A 26 0.941 -13.099 -14.768 1.00 22.55 H new ATOM 0 HB3 SER A 26 1.685 -11.512 -14.731 1.00 22.55 H new ATOM 0 HG SER A 26 3.030 -13.087 -15.777 1.00 53.32 H new ATOM 421 N GLY A 27 3.253 -10.919 -11.905 1.00 23.24 N ATOM 422 CA GLY A 27 4.515 -10.488 -11.331 1.00 34.44 C ATOM 423 C GLY A 27 5.610 -10.358 -12.370 1.00 2.00 C ATOM 424 O GLY A 27 6.678 -10.957 -12.237 1.00 75.20 O ATOM 0 H GLY A 27 2.562 -10.178 -12.027 1.00 23.24 H new ATOM 0 HA2 GLY A 27 4.375 -9.529 -10.833 1.00 34.44 H new ATOM 0 HA3 GLY A 27 4.826 -11.201 -10.567 1.00 34.44 H new ATOM 428 N LYS A 28 5.347 -9.574 -13.410 1.00 13.12 N ATOM 429 CA LYS A 28 6.318 -9.366 -14.478 1.00 33.25 C ATOM 430 C LYS A 28 6.586 -7.879 -14.688 1.00 34.34 C ATOM 431 O LYS A 28 5.855 -7.028 -14.179 1.00 70.42 O ATOM 432 CB LYS A 28 5.816 -9.994 -15.780 1.00 43.10 C ATOM 433 CG LYS A 28 5.199 -11.369 -15.594 1.00 64.43 C ATOM 434 CD LYS A 28 6.218 -12.372 -15.078 1.00 73.11 C ATOM 435 CE LYS A 28 5.863 -13.791 -15.494 1.00 71.44 C ATOM 436 NZ LYS A 28 7.054 -14.685 -15.491 1.00 44.45 N ATOM 0 H LYS A 28 4.468 -9.072 -13.536 1.00 13.12 H new ATOM 0 HA LYS A 28 7.251 -9.847 -14.186 1.00 33.25 H new ATOM 0 HB2 LYS A 28 5.077 -9.332 -16.232 1.00 43.10 H new ATOM 0 HB3 LYS A 28 6.647 -10.070 -16.481 1.00 43.10 H new ATOM 0 HG2 LYS A 28 4.365 -11.303 -14.895 1.00 64.43 H new ATOM 0 HG3 LYS A 28 4.792 -11.718 -16.543 1.00 64.43 H new ATOM 0 HD2 LYS A 28 7.207 -12.117 -15.459 1.00 73.11 H new ATOM 0 HD3 LYS A 28 6.270 -12.313 -13.991 1.00 73.11 H new ATOM 0 HE2 LYS A 28 5.108 -14.190 -14.816 1.00 71.44 H new ATOM 0 HE3 LYS A 28 5.422 -13.778 -16.491 1.00 71.44 H new ATOM 0 HZ1 LYS A 28 6.770 -15.643 -15.780 1.00 44.45 H new ATOM 0 HZ2 LYS A 28 7.765 -14.319 -16.156 1.00 44.45 H new ATOM 0 HZ3 LYS A 28 7.461 -14.719 -14.534 1.00 44.45 H new ATOM 450 N CYS A 29 7.637 -7.573 -15.441 1.00 14.22 N ATOM 451 CA CYS A 29 8.001 -6.189 -15.720 1.00 13.15 C ATOM 452 C CYS A 29 7.904 -5.891 -17.213 1.00 62.31 C ATOM 453 O CYS A 29 8.073 -6.782 -18.045 1.00 53.12 O ATOM 454 CB CYS A 29 9.419 -5.903 -15.222 1.00 11.31 C ATOM 455 SG CYS A 29 9.490 -5.202 -13.542 1.00 41.40 S ATOM 0 H CYS A 29 8.252 -8.265 -15.869 1.00 14.22 H new ATOM 0 HA CYS A 29 7.300 -5.542 -15.193 1.00 13.15 H new ATOM 0 HB2 CYS A 29 9.993 -6.829 -15.242 1.00 11.31 H new ATOM 0 HB3 CYS A 29 9.903 -5.213 -15.913 1.00 11.31 H new ATOM 460 N GLU A 30 7.632 -4.633 -17.544 1.00 1.33 N ATOM 461 CA GLU A 30 7.513 -4.218 -18.937 1.00 33.33 C ATOM 462 C GLU A 30 8.096 -2.823 -19.141 1.00 62.22 C ATOM 463 O GLU A 30 8.664 -2.234 -18.221 1.00 40.51 O ATOM 464 CB GLU A 30 6.047 -4.239 -19.374 1.00 73.23 C ATOM 465 CG GLU A 30 5.585 -5.592 -19.890 1.00 54.42 C ATOM 466 CD GLU A 30 4.384 -6.125 -19.134 1.00 33.43 C ATOM 467 OE1 GLU A 30 3.304 -5.504 -19.218 1.00 42.33 O ATOM 468 OE2 GLU A 30 4.524 -7.166 -18.457 1.00 2.30 O ATOM 0 H GLU A 30 7.490 -3.883 -16.867 1.00 1.33 H new ATOM 0 HA GLU A 30 8.078 -4.921 -19.549 1.00 33.33 H new ATOM 0 HB2 GLU A 30 5.421 -3.948 -18.530 1.00 73.23 H new ATOM 0 HB3 GLU A 30 5.898 -3.492 -20.154 1.00 73.23 H new ATOM 0 HG2 GLU A 30 5.336 -5.507 -20.948 1.00 54.42 H new ATOM 0 HG3 GLU A 30 6.405 -6.306 -19.812 1.00 54.42 H new ATOM 475 N THR A 31 7.953 -2.300 -20.355 1.00 33.10 N ATOM 476 CA THR A 31 8.466 -0.976 -20.682 1.00 41.02 C ATOM 477 C THR A 31 7.352 -0.062 -21.180 1.00 64.02 C ATOM 478 O THR A 31 6.454 -0.497 -21.901 1.00 31.44 O ATOM 479 CB THR A 31 9.571 -1.051 -21.753 1.00 52.41 C ATOM 480 OG1 THR A 31 9.006 -1.425 -23.015 1.00 13.44 O ATOM 481 CG2 THR A 31 10.644 -2.053 -21.355 1.00 75.10 C ATOM 0 H THR A 31 7.486 -2.774 -21.128 1.00 33.10 H new ATOM 0 HA THR A 31 8.887 -0.564 -19.765 1.00 41.02 H new ATOM 0 HB THR A 31 10.030 -0.066 -21.839 1.00 52.41 H new ATOM 0 HG1 THR A 31 9.715 -1.469 -23.691 1.00 13.44 H new ATOM 0 HG21 THR A 31 11.413 -2.088 -22.127 1.00 75.10 H new ATOM 0 HG22 THR A 31 11.093 -1.749 -20.409 1.00 75.10 H new ATOM 0 HG23 THR A 31 10.196 -3.041 -21.244 1.00 75.10 H new ATOM 489 N PHE A 32 7.417 1.207 -20.792 1.00 42.44 N ATOM 490 CA PHE A 32 6.413 2.183 -21.200 1.00 2.42 C ATOM 491 C PHE A 32 7.063 3.520 -21.546 1.00 30.02 C ATOM 492 O PHE A 32 8.197 3.791 -21.151 1.00 2.43 O ATOM 493 CB PHE A 32 5.380 2.378 -20.088 1.00 3.40 C ATOM 494 CG PHE A 32 4.216 3.236 -20.495 1.00 3.02 C ATOM 495 CD1 PHE A 32 3.374 2.841 -21.522 1.00 14.55 C ATOM 496 CD2 PHE A 32 3.964 4.436 -19.850 1.00 44.44 C ATOM 497 CE1 PHE A 32 2.302 3.629 -21.898 1.00 44.33 C ATOM 498 CE2 PHE A 32 2.894 5.228 -20.223 1.00 4.25 C ATOM 499 CZ PHE A 32 2.062 4.823 -21.247 1.00 53.43 C ATOM 0 H PHE A 32 8.154 1.584 -20.196 1.00 42.44 H new ATOM 0 HA PHE A 32 5.912 1.802 -22.090 1.00 2.42 H new ATOM 0 HB2 PHE A 32 5.009 1.403 -19.772 1.00 3.40 H new ATOM 0 HB3 PHE A 32 5.869 2.828 -19.224 1.00 3.40 H new ATOM 0 HD1 PHE A 32 3.557 1.908 -22.034 1.00 14.55 H new ATOM 0 HD2 PHE A 32 4.611 4.756 -19.047 1.00 44.44 H new ATOM 0 HE1 PHE A 32 1.653 3.311 -22.700 1.00 44.33 H new ATOM 0 HE2 PHE A 32 2.709 6.162 -19.714 1.00 4.25 H new ATOM 0 HZ PHE A 32 1.224 5.439 -21.539 1.00 53.43 H new ATOM 509 N ILE A 33 6.336 4.350 -22.286 1.00 43.04 N ATOM 510 CA ILE A 33 6.841 5.658 -22.685 1.00 61.14 C ATOM 511 C ILE A 33 6.453 6.729 -21.672 1.00 42.41 C ATOM 512 O ILE A 33 5.325 6.753 -21.178 1.00 65.35 O ATOM 513 CB ILE A 33 6.314 6.065 -24.074 1.00 15.42 C ATOM 514 CG1 ILE A 33 6.523 4.929 -25.077 1.00 4.12 C ATOM 515 CG2 ILE A 33 7.003 7.335 -24.551 1.00 24.40 C ATOM 516 CD1 ILE A 33 5.241 4.240 -25.486 1.00 74.02 C ATOM 0 H ILE A 33 5.396 4.140 -22.621 1.00 43.04 H new ATOM 0 HA ILE A 33 7.927 5.578 -22.727 1.00 61.14 H new ATOM 0 HB ILE A 33 5.245 6.263 -23.997 1.00 15.42 H new ATOM 0 HG12 ILE A 33 7.012 5.326 -25.966 1.00 4.12 H new ATOM 0 HG13 ILE A 33 7.199 4.192 -24.643 1.00 4.12 H new ATOM 0 HG21 ILE A 33 6.620 7.610 -25.534 1.00 24.40 H new ATOM 0 HG22 ILE A 33 6.806 8.143 -23.846 1.00 24.40 H new ATOM 0 HG23 ILE A 33 8.078 7.164 -24.615 1.00 24.40 H new ATOM 0 HD11 ILE A 33 5.466 3.446 -26.198 1.00 74.02 H new ATOM 0 HD12 ILE A 33 4.761 3.813 -24.606 1.00 74.02 H new ATOM 0 HD13 ILE A 33 4.571 4.964 -25.949 1.00 74.02 H new ATOM 528 N TYR A 34 7.394 7.616 -21.368 1.00 23.04 N ATOM 529 CA TYR A 34 7.152 8.691 -20.412 1.00 73.44 C ATOM 530 C TYR A 34 7.554 10.041 -20.998 1.00 25.25 C ATOM 531 O TYR A 34 8.276 10.109 -21.992 1.00 14.21 O ATOM 532 CB TYR A 34 7.923 8.433 -19.117 1.00 13.34 C ATOM 533 CG TYR A 34 7.062 8.506 -17.875 1.00 62.25 C ATOM 534 CD1 TYR A 34 5.926 7.717 -17.747 1.00 12.12 C ATOM 535 CD2 TYR A 34 7.387 9.363 -16.831 1.00 34.22 C ATOM 536 CE1 TYR A 34 5.136 7.781 -16.615 1.00 25.11 C ATOM 537 CE2 TYR A 34 6.604 9.432 -15.694 1.00 51.05 C ATOM 538 CZ TYR A 34 5.480 8.640 -15.592 1.00 33.45 C ATOM 539 OH TYR A 34 4.697 8.705 -14.462 1.00 31.03 O ATOM 0 H TYR A 34 8.332 7.612 -21.770 1.00 23.04 H new ATOM 0 HA TYR A 34 6.085 8.715 -20.192 1.00 73.44 H new ATOM 0 HB2 TYR A 34 8.387 7.448 -19.170 1.00 13.34 H new ATOM 0 HB3 TYR A 34 8.730 9.161 -19.033 1.00 13.34 H new ATOM 0 HD1 TYR A 34 5.656 7.042 -18.546 1.00 12.12 H new ATOM 0 HD2 TYR A 34 8.266 9.986 -16.909 1.00 34.22 H new ATOM 0 HE1 TYR A 34 4.255 7.162 -16.532 1.00 25.11 H new ATOM 0 HE2 TYR A 34 6.871 10.102 -14.890 1.00 51.05 H new ATOM 0 HH TYR A 34 4.273 7.835 -14.307 1.00 31.03 H new ATOM 549 N GLY A 35 7.083 11.115 -20.371 1.00 74.50 N ATOM 550 CA GLY A 35 7.404 12.449 -20.842 1.00 55.12 C ATOM 551 C GLY A 35 6.666 13.528 -20.074 1.00 40.03 C ATOM 552 O GLY A 35 5.452 13.450 -19.891 1.00 21.42 O ATOM 0 H GLY A 35 6.485 11.084 -19.545 1.00 74.50 H new ATOM 0 HA2 GLY A 35 8.478 12.614 -20.753 1.00 55.12 H new ATOM 0 HA3 GLY A 35 7.156 12.527 -21.901 1.00 55.12 H new ATOM 556 N GLY A 36 7.402 14.539 -19.622 1.00 60.02 N ATOM 557 CA GLY A 36 6.793 15.623 -18.873 1.00 64.13 C ATOM 558 C GLY A 36 5.949 15.126 -17.717 1.00 32.11 C ATOM 559 O GLY A 36 6.472 14.575 -16.748 1.00 70.23 O ATOM 0 H GLY A 36 8.409 14.627 -19.761 1.00 60.02 H new ATOM 0 HA2 GLY A 36 7.574 16.281 -18.492 1.00 64.13 H new ATOM 0 HA3 GLY A 36 6.172 16.219 -19.542 1.00 64.13 H new ATOM 563 N VAL A 37 4.638 15.322 -17.816 1.00 51.13 N ATOM 564 CA VAL A 37 3.719 14.890 -16.770 1.00 53.40 C ATOM 565 C VAL A 37 3.175 13.495 -17.057 1.00 45.22 C ATOM 566 O VAL A 37 2.695 13.219 -18.155 1.00 61.54 O ATOM 567 CB VAL A 37 2.538 15.868 -16.621 1.00 42.54 C ATOM 568 CG1 VAL A 37 1.673 15.485 -15.430 1.00 64.24 C ATOM 569 CG2 VAL A 37 3.044 17.297 -16.485 1.00 61.34 C ATOM 0 H VAL A 37 4.189 15.777 -18.610 1.00 51.13 H new ATOM 0 HA VAL A 37 4.286 14.871 -15.839 1.00 53.40 H new ATOM 0 HB VAL A 37 1.924 15.807 -17.519 1.00 42.54 H new ATOM 0 HG11 VAL A 37 0.844 16.187 -15.341 1.00 64.24 H new ATOM 0 HG12 VAL A 37 1.281 14.478 -15.574 1.00 64.24 H new ATOM 0 HG13 VAL A 37 2.273 15.515 -14.520 1.00 64.24 H new ATOM 0 HG21 VAL A 37 2.197 17.975 -16.381 1.00 61.34 H new ATOM 0 HG22 VAL A 37 3.682 17.375 -15.604 1.00 61.34 H new ATOM 0 HG23 VAL A 37 3.617 17.566 -17.372 1.00 61.34 H new ATOM 579 N GLY A 38 3.255 12.618 -16.061 1.00 13.33 N ATOM 580 CA GLY A 38 2.767 11.262 -16.226 1.00 32.41 C ATOM 581 C GLY A 38 1.804 10.854 -15.129 1.00 13.35 C ATOM 582 O GLY A 38 1.904 11.327 -13.997 1.00 43.54 O ATOM 0 H GLY A 38 3.649 12.823 -15.143 1.00 13.33 H new ATOM 0 HA2 GLY A 38 2.271 11.173 -17.192 1.00 32.41 H new ATOM 0 HA3 GLY A 38 3.612 10.574 -16.237 1.00 32.41 H new ATOM 586 N GLY A 39 0.865 9.974 -15.463 1.00 61.05 N ATOM 587 CA GLY A 39 -0.108 9.519 -14.487 1.00 42.43 C ATOM 588 C GLY A 39 0.441 8.434 -13.583 1.00 65.45 C ATOM 589 O GLY A 39 0.976 7.433 -14.059 1.00 34.41 O ATOM 0 H GLY A 39 0.761 9.568 -16.393 1.00 61.05 H new ATOM 0 HA2 GLY A 39 -0.431 10.364 -13.880 1.00 42.43 H new ATOM 0 HA3 GLY A 39 -0.990 9.143 -15.006 1.00 42.43 H new ATOM 593 N ASN A 40 0.312 8.632 -12.276 1.00 14.52 N ATOM 594 CA ASN A 40 0.802 7.663 -11.303 1.00 35.31 C ATOM 595 C ASN A 40 2.254 7.293 -11.588 1.00 20.25 C ATOM 596 O ASN A 40 2.916 7.923 -12.412 1.00 52.30 O ATOM 597 CB ASN A 40 -0.070 6.405 -11.322 1.00 1.21 C ATOM 598 CG ASN A 40 -1.493 6.695 -11.758 1.00 72.31 C ATOM 599 OD1 ASN A 40 -1.957 6.186 -12.778 1.00 72.44 O ATOM 600 ND2 ASN A 40 -2.193 7.516 -10.985 1.00 13.33 N ATOM 0 H ASN A 40 -0.128 9.456 -11.866 1.00 14.52 H new ATOM 0 HA ASN A 40 0.749 8.119 -10.314 1.00 35.31 H new ATOM 0 HB2 ASN A 40 0.371 5.671 -11.996 1.00 1.21 H new ATOM 0 HB3 ASN A 40 -0.081 5.959 -10.328 1.00 1.21 H new ATOM 0 HD21 ASN A 40 -3.156 7.748 -11.228 1.00 13.33 H new ATOM 0 HD22 ASN A 40 -1.768 7.915 -10.148 1.00 13.33 H new ATOM 607 N SER A 41 2.743 6.266 -10.900 1.00 22.03 N ATOM 608 CA SER A 41 4.118 5.814 -11.076 1.00 22.51 C ATOM 609 C SER A 41 4.235 4.890 -12.284 1.00 64.52 C ATOM 610 O SER A 41 4.480 5.340 -13.402 1.00 43.24 O ATOM 611 CB SER A 41 4.605 5.091 -9.818 1.00 52.11 C ATOM 612 OG SER A 41 5.831 4.423 -10.056 1.00 64.43 O ATOM 0 H SER A 41 2.208 5.732 -10.216 1.00 22.03 H new ATOM 0 HA SER A 41 4.743 6.690 -11.248 1.00 22.51 H new ATOM 0 HB2 SER A 41 4.730 5.809 -9.008 1.00 52.11 H new ATOM 0 HB3 SER A 41 3.853 4.372 -9.494 1.00 52.11 H new ATOM 0 HG SER A 41 6.121 3.970 -9.237 1.00 64.43 H new ATOM 618 N ASN A 42 4.058 3.593 -12.049 1.00 45.34 N ATOM 619 CA ASN A 42 4.145 2.604 -13.118 1.00 12.32 C ATOM 620 C ASN A 42 5.297 2.926 -14.065 1.00 32.21 C ATOM 621 O ASN A 42 5.193 2.726 -15.274 1.00 42.54 O ATOM 622 CB ASN A 42 2.829 2.549 -13.897 1.00 63.21 C ATOM 623 CG ASN A 42 2.804 1.419 -14.909 1.00 12.14 C ATOM 624 OD1 ASN A 42 2.800 1.771 -16.189 1.00 22.33 O flip ATOM 625 ND2 ASN A 42 2.788 0.244 -14.543 1.00 12.51 N flip ATOM 0 H ASN A 42 3.854 3.203 -11.129 1.00 45.34 H new ATOM 0 HA ASN A 42 4.333 1.631 -12.665 1.00 12.32 H new ATOM 0 HB2 ASN A 42 2.001 2.426 -13.199 1.00 63.21 H new ATOM 0 HB3 ASN A 42 2.674 3.497 -14.411 1.00 63.21 H new ATOM 0 HD21 ASN A 42 2.792 0.020 -13.548 1.00 12.51 H new ATOM 0 HD22 ASN A 42 2.771 -0.505 -15.235 1.00 12.51 H new ATOM 632 N ASN A 43 6.395 3.424 -13.505 1.00 75.01 N ATOM 633 CA ASN A 43 7.567 3.773 -14.300 1.00 14.24 C ATOM 634 C ASN A 43 8.827 3.773 -13.439 1.00 54.42 C ATOM 635 O ASN A 43 8.757 3.907 -12.217 1.00 71.22 O ATOM 636 CB ASN A 43 7.378 5.146 -14.948 1.00 43.13 C ATOM 637 CG ASN A 43 7.450 5.085 -16.462 1.00 33.01 C ATOM 638 OD1 ASN A 43 8.101 5.914 -17.098 1.00 21.14 O ATOM 639 ND2 ASN A 43 6.778 4.100 -17.046 1.00 72.05 N ATOM 0 H ASN A 43 6.498 3.595 -12.505 1.00 75.01 H new ATOM 0 HA ASN A 43 7.683 3.022 -15.082 1.00 14.24 H new ATOM 0 HB2 ASN A 43 6.413 5.556 -14.649 1.00 43.13 H new ATOM 0 HB3 ASN A 43 8.143 5.828 -14.578 1.00 43.13 H new ATOM 0 HD21 ASN A 43 6.788 4.008 -18.062 1.00 72.05 H new ATOM 0 HD22 ASN A 43 6.252 3.435 -16.479 1.00 72.05 H new ATOM 646 N PHE A 44 9.978 3.624 -14.086 1.00 31.33 N ATOM 647 CA PHE A 44 11.254 3.606 -13.380 1.00 41.24 C ATOM 648 C PHE A 44 12.418 3.726 -14.359 1.00 63.45 C ATOM 649 O PHE A 44 12.546 2.929 -15.290 1.00 61.02 O ATOM 650 CB PHE A 44 11.391 2.321 -12.562 1.00 20.30 C ATOM 651 CG PHE A 44 11.124 2.512 -11.096 1.00 71.23 C ATOM 652 CD1 PHE A 44 11.809 3.475 -10.373 1.00 64.25 C ATOM 653 CD2 PHE A 44 10.188 1.728 -10.441 1.00 53.03 C ATOM 654 CE1 PHE A 44 11.566 3.654 -9.025 1.00 33.43 C ATOM 655 CE2 PHE A 44 9.940 1.902 -9.093 1.00 15.50 C ATOM 656 CZ PHE A 44 10.630 2.866 -8.383 1.00 62.55 C ATOM 0 H PHE A 44 10.054 3.514 -15.097 1.00 31.33 H new ATOM 0 HA PHE A 44 11.280 4.462 -12.705 1.00 41.24 H new ATOM 0 HB2 PHE A 44 10.701 1.575 -12.955 1.00 20.30 H new ATOM 0 HB3 PHE A 44 12.398 1.923 -12.691 1.00 20.30 H new ATOM 0 HD1 PHE A 44 12.542 4.093 -10.869 1.00 64.25 H new ATOM 0 HD2 PHE A 44 9.646 0.972 -10.990 1.00 53.03 H new ATOM 0 HE1 PHE A 44 12.107 4.409 -8.474 1.00 33.43 H new ATOM 0 HE2 PHE A 44 9.207 1.285 -8.594 1.00 15.50 H new ATOM 0 HZ PHE A 44 10.438 3.003 -7.329 1.00 62.55 H new ATOM 666 N LEU A 45 13.265 4.726 -14.143 1.00 52.33 N ATOM 667 CA LEU A 45 14.419 4.952 -15.006 1.00 63.12 C ATOM 668 C LEU A 45 15.507 3.915 -14.743 1.00 12.32 C ATOM 669 O LEU A 45 16.576 3.951 -15.354 1.00 35.03 O ATOM 670 CB LEU A 45 14.977 6.359 -14.788 1.00 12.53 C ATOM 671 CG LEU A 45 13.946 7.453 -14.503 1.00 25.21 C ATOM 672 CD1 LEU A 45 13.858 7.727 -13.010 1.00 3.33 C ATOM 673 CD2 LEU A 45 14.295 8.725 -15.261 1.00 44.13 C ATOM 0 H LEU A 45 13.174 5.394 -13.377 1.00 52.33 H new ATOM 0 HA LEU A 45 14.092 4.854 -16.041 1.00 63.12 H new ATOM 0 HB2 LEU A 45 15.680 6.325 -13.956 1.00 12.53 H new ATOM 0 HB3 LEU A 45 15.545 6.644 -15.674 1.00 12.53 H new ATOM 0 HG LEU A 45 12.971 7.106 -14.846 1.00 25.21 H new ATOM 0 HD11 LEU A 45 13.120 8.508 -12.826 1.00 3.33 H new ATOM 0 HD12 LEU A 45 13.560 6.817 -12.490 1.00 3.33 H new ATOM 0 HD13 LEU A 45 14.831 8.053 -12.642 1.00 3.33 H new ATOM 0 HD21 LEU A 45 13.551 9.492 -15.046 1.00 44.13 H new ATOM 0 HD22 LEU A 45 15.279 9.076 -14.949 1.00 44.13 H new ATOM 0 HD23 LEU A 45 14.306 8.519 -16.331 1.00 44.13 H new ATOM 685 N THR A 46 15.227 2.990 -13.830 1.00 73.12 N ATOM 686 CA THR A 46 16.180 1.942 -13.486 1.00 51.35 C ATOM 687 C THR A 46 15.583 0.559 -13.718 1.00 64.32 C ATOM 688 O THR A 46 14.365 0.386 -13.702 1.00 75.20 O ATOM 689 CB THR A 46 16.633 2.054 -12.018 1.00 53.45 C ATOM 690 OG1 THR A 46 15.815 3.004 -11.325 1.00 23.32 O ATOM 691 CG2 THR A 46 18.092 2.476 -11.933 1.00 31.31 C ATOM 0 H THR A 46 14.347 2.945 -13.315 1.00 73.12 H new ATOM 0 HA THR A 46 17.045 2.075 -14.136 1.00 51.35 H new ATOM 0 HB THR A 46 16.527 1.075 -11.552 1.00 53.45 H new ATOM 0 HG1 THR A 46 16.373 3.538 -10.722 1.00 23.32 H new ATOM 0 HG21 THR A 46 18.389 2.548 -10.887 1.00 31.31 H new ATOM 0 HG22 THR A 46 18.715 1.737 -12.437 1.00 31.31 H new ATOM 0 HG23 THR A 46 18.219 3.446 -12.414 1.00 31.31 H new ATOM 699 N LYS A 47 16.450 -0.425 -13.933 1.00 72.42 N ATOM 700 CA LYS A 47 16.009 -1.796 -14.166 1.00 45.35 C ATOM 701 C LYS A 47 15.620 -2.473 -12.856 1.00 42.41 C ATOM 702 O LYS A 47 14.456 -2.812 -12.645 1.00 4.33 O ATOM 703 CB LYS A 47 17.114 -2.597 -14.858 1.00 62.44 C ATOM 704 CG LYS A 47 16.590 -3.678 -15.789 1.00 2.24 C ATOM 705 CD LYS A 47 16.590 -5.040 -15.116 1.00 75.42 C ATOM 706 CE LYS A 47 17.833 -5.839 -15.475 1.00 21.42 C ATOM 707 NZ LYS A 47 17.567 -6.821 -16.563 1.00 2.31 N ATOM 0 H LYS A 47 17.462 -0.299 -13.951 1.00 72.42 H new ATOM 0 HA LYS A 47 15.132 -1.764 -14.812 1.00 45.35 H new ATOM 0 HB2 LYS A 47 17.745 -1.914 -15.427 1.00 62.44 H new ATOM 0 HB3 LYS A 47 17.747 -3.058 -14.099 1.00 62.44 H new ATOM 0 HG2 LYS A 47 15.578 -3.427 -16.106 1.00 2.24 H new ATOM 0 HG3 LYS A 47 17.205 -3.715 -16.688 1.00 2.24 H new ATOM 0 HD2 LYS A 47 16.538 -4.913 -14.035 1.00 75.42 H new ATOM 0 HD3 LYS A 47 15.701 -5.595 -15.415 1.00 75.42 H new ATOM 0 HE2 LYS A 47 18.625 -5.158 -15.786 1.00 21.42 H new ATOM 0 HE3 LYS A 47 18.194 -6.365 -14.591 1.00 21.42 H new ATOM 0 HZ1 LYS A 47 18.439 -7.345 -16.778 1.00 2.31 H new ATOM 0 HZ2 LYS A 47 16.829 -7.487 -16.257 1.00 2.31 H new ATOM 0 HZ3 LYS A 47 17.247 -6.317 -17.415 1.00 2.31 H new ATOM 721 N GLU A 48 16.601 -2.664 -11.980 1.00 24.41 N ATOM 722 CA GLU A 48 16.359 -3.300 -10.690 1.00 64.22 C ATOM 723 C GLU A 48 15.222 -2.606 -9.946 1.00 44.11 C ATOM 724 O GLU A 48 14.385 -3.258 -9.322 1.00 23.11 O ATOM 725 CB GLU A 48 17.630 -3.277 -9.838 1.00 43.54 C ATOM 726 CG GLU A 48 18.278 -4.641 -9.673 1.00 35.23 C ATOM 727 CD GLU A 48 19.084 -4.753 -8.394 1.00 1.15 C ATOM 728 OE1 GLU A 48 19.813 -3.793 -8.067 1.00 14.54 O ATOM 729 OE2 GLU A 48 18.987 -5.800 -7.720 1.00 4.20 O ATOM 0 H GLU A 48 17.570 -2.388 -12.140 1.00 24.41 H new ATOM 0 HA GLU A 48 16.072 -4.335 -10.873 1.00 64.22 H new ATOM 0 HB2 GLU A 48 18.349 -2.595 -10.292 1.00 43.54 H new ATOM 0 HB3 GLU A 48 17.390 -2.877 -8.853 1.00 43.54 H new ATOM 0 HG2 GLU A 48 17.505 -5.409 -9.679 1.00 35.23 H new ATOM 0 HG3 GLU A 48 18.928 -4.836 -10.526 1.00 35.23 H new ATOM 736 N ASP A 49 15.200 -1.280 -10.017 1.00 0.40 N ATOM 737 CA ASP A 49 14.166 -0.496 -9.351 1.00 43.41 C ATOM 738 C ASP A 49 12.777 -1.024 -9.695 1.00 22.42 C ATOM 739 O ASP A 49 11.842 -0.906 -8.902 1.00 44.11 O ATOM 740 CB ASP A 49 14.278 0.977 -9.749 1.00 13.15 C ATOM 741 CG ASP A 49 15.282 1.732 -8.900 1.00 30.54 C ATOM 742 OD1 ASP A 49 16.482 1.392 -8.959 1.00 1.00 O ATOM 743 OD2 ASP A 49 14.868 2.661 -8.175 1.00 73.12 O ATOM 0 H ASP A 49 15.886 -0.725 -10.529 1.00 0.40 H new ATOM 0 HA ASP A 49 14.313 -0.586 -8.275 1.00 43.41 H new ATOM 0 HB2 ASP A 49 14.569 1.046 -10.797 1.00 13.15 H new ATOM 0 HB3 ASP A 49 13.300 1.450 -9.657 1.00 13.15 H new ATOM 748 N CYS A 50 12.649 -1.607 -10.882 1.00 33.40 N ATOM 749 CA CYS A 50 11.374 -2.153 -11.332 1.00 62.25 C ATOM 750 C CYS A 50 10.721 -2.987 -10.234 1.00 13.31 C ATOM 751 O CYS A 50 9.565 -2.763 -9.874 1.00 14.32 O ATOM 752 CB CYS A 50 11.576 -3.008 -12.585 1.00 30.51 C ATOM 753 SG CYS A 50 10.045 -3.335 -13.517 1.00 21.12 S ATOM 0 H CYS A 50 13.413 -1.714 -11.550 1.00 33.40 H new ATOM 0 HA CYS A 50 10.714 -1.319 -11.571 1.00 62.25 H new ATOM 0 HB2 CYS A 50 12.289 -2.509 -13.241 1.00 30.51 H new ATOM 0 HB3 CYS A 50 12.022 -3.959 -12.295 1.00 30.51 H new ATOM 758 N CYS A 51 11.469 -3.949 -9.705 1.00 11.02 N ATOM 759 CA CYS A 51 10.964 -4.817 -8.648 1.00 2.23 C ATOM 760 C CYS A 51 10.570 -4.004 -7.418 1.00 51.51 C ATOM 761 O CYS A 51 9.577 -4.303 -6.755 1.00 74.24 O ATOM 762 CB CYS A 51 12.018 -5.858 -8.267 1.00 65.22 C ATOM 763 SG CYS A 51 11.610 -6.818 -6.774 1.00 24.04 S ATOM 0 H CYS A 51 12.428 -4.147 -9.991 1.00 11.02 H new ATOM 0 HA CYS A 51 10.078 -5.327 -9.024 1.00 2.23 H new ATOM 0 HB2 CYS A 51 12.153 -6.545 -9.102 1.00 65.22 H new ATOM 0 HB3 CYS A 51 12.972 -5.354 -8.112 1.00 65.22 H new ATOM 768 N ARG A 52 11.355 -2.973 -7.120 1.00 61.52 N ATOM 769 CA ARG A 52 11.089 -2.117 -5.970 1.00 70.54 C ATOM 770 C ARG A 52 9.611 -1.743 -5.902 1.00 22.34 C ATOM 771 O ARG A 52 9.029 -1.675 -4.820 1.00 33.21 O ATOM 772 CB ARG A 52 11.944 -0.851 -6.042 1.00 11.11 C ATOM 773 CG ARG A 52 12.573 -0.465 -4.713 1.00 52.22 C ATOM 774 CD ARG A 52 11.523 -0.312 -3.623 1.00 62.44 C ATOM 775 NE ARG A 52 12.089 0.231 -2.391 1.00 75.51 N ATOM 776 CZ ARG A 52 12.341 1.521 -2.205 1.00 13.35 C ATOM 777 NH1 ARG A 52 12.079 2.397 -3.165 1.00 33.00 N ATOM 778 NH2 ARG A 52 12.856 1.939 -1.055 1.00 33.50 N ATOM 0 H ARG A 52 12.180 -2.711 -7.659 1.00 61.52 H new ATOM 0 HA ARG A 52 11.348 -2.671 -5.068 1.00 70.54 H new ATOM 0 HB2 ARG A 52 12.733 -0.997 -6.779 1.00 11.11 H new ATOM 0 HB3 ARG A 52 11.327 -0.025 -6.396 1.00 11.11 H new ATOM 0 HG2 ARG A 52 13.297 -1.224 -4.418 1.00 52.22 H new ATOM 0 HG3 ARG A 52 13.120 0.471 -4.826 1.00 52.22 H new ATOM 0 HD2 ARG A 52 10.727 0.343 -3.976 1.00 62.44 H new ATOM 0 HD3 ARG A 52 11.070 -1.282 -3.417 1.00 62.44 H new ATOM 0 HE ARG A 52 12.302 -0.416 -1.632 1.00 75.51 H new ATOM 0 HH11 ARG A 52 11.683 2.081 -4.050 1.00 33.00 H new ATOM 0 HH12 ARG A 52 12.274 3.387 -3.019 1.00 33.00 H new ATOM 0 HH21 ARG A 52 13.058 1.269 -0.313 1.00 33.50 H new ATOM 0 HH22 ARG A 52 13.049 2.930 -0.913 1.00 33.50 H new ATOM 792 N GLU A 53 9.012 -1.502 -7.064 1.00 4.44 N ATOM 793 CA GLU A 53 7.603 -1.133 -7.134 1.00 24.10 C ATOM 794 C GLU A 53 6.743 -2.121 -6.351 1.00 51.30 C ATOM 795 O GLU A 53 5.881 -1.724 -5.566 1.00 71.41 O ATOM 796 CB GLU A 53 7.140 -1.079 -8.591 1.00 75.21 C ATOM 797 CG GLU A 53 6.608 0.281 -9.011 1.00 5.11 C ATOM 798 CD GLU A 53 5.541 0.185 -10.083 1.00 73.03 C ATOM 799 OE1 GLU A 53 5.370 -0.912 -10.654 1.00 75.22 O ATOM 800 OE2 GLU A 53 4.876 1.208 -10.351 1.00 60.11 O ATOM 0 H GLU A 53 9.480 -1.556 -7.969 1.00 4.44 H new ATOM 0 HA GLU A 53 7.489 -0.145 -6.687 1.00 24.10 H new ATOM 0 HB2 GLU A 53 7.974 -1.349 -9.239 1.00 75.21 H new ATOM 0 HB3 GLU A 53 6.362 -1.827 -8.744 1.00 75.21 H new ATOM 0 HG2 GLU A 53 6.197 0.791 -8.140 1.00 5.11 H new ATOM 0 HG3 GLU A 53 7.433 0.892 -9.378 1.00 5.11 H new ATOM 807 N CYS A 54 6.983 -3.409 -6.571 1.00 31.01 N ATOM 808 CA CYS A 54 6.231 -4.455 -5.888 1.00 52.22 C ATOM 809 C CYS A 54 7.018 -5.005 -4.702 1.00 52.21 C ATOM 810 O CYS A 54 6.483 -5.749 -3.881 1.00 63.51 O ATOM 811 CB CYS A 54 5.894 -5.587 -6.860 1.00 63.43 C ATOM 812 SG CYS A 54 4.219 -6.272 -6.653 1.00 53.43 S ATOM 0 H CYS A 54 7.693 -3.754 -7.217 1.00 31.01 H new ATOM 0 HA CYS A 54 5.305 -4.018 -5.515 1.00 52.22 H new ATOM 0 HB2 CYS A 54 6.001 -5.219 -7.880 1.00 63.43 H new ATOM 0 HB3 CYS A 54 6.621 -6.389 -6.733 1.00 63.43 H new ATOM 817 N ALA A 55 8.291 -4.632 -4.620 1.00 13.24 N ATOM 818 CA ALA A 55 9.151 -5.085 -3.534 1.00 32.23 C ATOM 819 C ALA A 55 8.604 -4.646 -2.180 1.00 14.51 C ATOM 820 O ALA A 55 8.921 -5.240 -1.150 1.00 50.21 O ATOM 821 CB ALA A 55 10.566 -4.562 -3.728 1.00 63.20 C ATOM 0 H ALA A 55 8.749 -4.017 -5.293 1.00 13.24 H new ATOM 0 HA ALA A 55 9.172 -6.175 -3.552 1.00 32.23 H new ATOM 0 HB1 ALA A 55 11.197 -4.908 -2.910 1.00 63.20 H new ATOM 0 HB2 ALA A 55 10.964 -4.930 -4.674 1.00 63.20 H new ATOM 0 HB3 ALA A 55 10.553 -3.472 -3.740 1.00 63.20 H new ATOM 827 N GLN A 56 7.781 -3.601 -2.190 1.00 63.40 N ATOM 828 CA GLN A 56 7.192 -3.082 -0.962 1.00 33.13 C ATOM 829 C GLN A 56 6.139 -4.041 -0.416 1.00 14.33 C ATOM 830 O GLN A 56 5.750 -3.954 0.748 1.00 22.55 O ATOM 831 CB GLN A 56 6.567 -1.708 -1.212 1.00 22.32 C ATOM 832 CG GLN A 56 7.493 -0.741 -1.932 1.00 72.33 C ATOM 833 CD GLN A 56 8.842 -0.609 -1.253 1.00 71.44 C ATOM 834 OE1 GLN A 56 9.694 -1.491 -1.364 1.00 63.02 O ATOM 835 NE2 GLN A 56 9.043 0.496 -0.545 1.00 60.23 N ATOM 0 H GLN A 56 7.508 -3.098 -3.034 1.00 63.40 H new ATOM 0 HA GLN A 56 7.986 -2.983 -0.222 1.00 33.13 H new ATOM 0 HB2 GLN A 56 5.658 -1.833 -1.800 1.00 22.32 H new ATOM 0 HB3 GLN A 56 6.272 -1.273 -0.257 1.00 22.32 H new ATOM 0 HG2 GLN A 56 7.639 -1.079 -2.958 1.00 72.33 H new ATOM 0 HG3 GLN A 56 7.019 0.239 -1.984 1.00 72.33 H new ATOM 0 HE21 GLN A 56 8.309 1.201 -0.480 1.00 60.23 H new ATOM 0 HE22 GLN A 56 9.932 0.640 -0.066 1.00 60.23 H new ATOM 844 N GLY A 57 5.680 -4.955 -1.265 1.00 54.45 N ATOM 845 CA GLY A 57 4.675 -5.916 -0.850 1.00 2.02 C ATOM 846 C GLY A 57 5.192 -7.341 -0.872 1.00 1.22 C ATOM 847 O GLY A 57 4.923 -8.120 0.042 1.00 22.03 O ATOM 0 H GLY A 57 5.986 -5.047 -2.234 1.00 54.45 H new ATOM 0 HA2 GLY A 57 4.336 -5.671 0.157 1.00 2.02 H new ATOM 0 HA3 GLY A 57 3.808 -5.837 -1.506 1.00 2.02 H new ATOM 851 N SER A 58 5.935 -7.683 -1.919 1.00 40.05 N ATOM 852 CA SER A 58 6.486 -9.026 -2.060 1.00 3.32 C ATOM 853 C SER A 58 7.468 -9.091 -3.225 1.00 44.45 C ATOM 854 O SER A 58 8.669 -9.286 -3.031 1.00 74.34 O ATOM 855 CB SER A 58 5.362 -10.042 -2.268 1.00 61.20 C ATOM 856 OG SER A 58 5.654 -11.266 -1.617 1.00 23.43 O ATOM 0 H SER A 58 6.170 -7.049 -2.683 1.00 40.05 H new ATOM 0 HA SER A 58 7.021 -9.270 -1.143 1.00 3.32 H new ATOM 0 HB2 SER A 58 4.426 -9.637 -1.884 1.00 61.20 H new ATOM 0 HB3 SER A 58 5.220 -10.218 -3.334 1.00 61.20 H new ATOM 0 HG SER A 58 4.919 -11.898 -1.764 1.00 23.43 H new ATOM 862 N CYS A 59 6.950 -8.925 -4.438 1.00 32.23 N ATOM 863 CA CYS A 59 7.779 -8.965 -5.636 1.00 75.14 C ATOM 864 C CYS A 59 8.508 -10.301 -5.749 1.00 42.41 C ATOM 865 O CYS A 59 8.082 -11.302 -5.174 1.00 30.03 O ATOM 866 CB CYS A 59 8.791 -7.818 -5.620 1.00 71.14 C ATOM 867 SG CYS A 59 10.042 -7.912 -6.941 1.00 23.31 S ATOM 0 H CYS A 59 5.959 -8.761 -4.617 1.00 32.23 H new ATOM 0 HA CYS A 59 7.127 -8.853 -6.502 1.00 75.14 H new ATOM 0 HB2 CYS A 59 8.255 -6.873 -5.709 1.00 71.14 H new ATOM 0 HB3 CYS A 59 9.297 -7.808 -4.655 1.00 71.14 H new TER 872 CYS A 59