USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 825 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 32 LYS NZ :NH3+ -164:sc= 0.00137 (180deg=0) USER MOD Set 1.2: A 33 THR OG1 : rot 180:sc=4.63e-05 USER MOD Set 2.1: A 14 THR OG1 : rot 120:sc= 0 USER MOD Set 2.2: A 16 LYS NZ :NH3+ -160:sc= -0.108 (180deg=-0.783) USER MOD Set 3.1: A 5 THR OG1 : rot 180:sc= 0.876 USER MOD Set 3.2: A 9 LYS NZ :NH3+ -172:sc= -5.69! (180deg=-6.15!) USER MOD Single : A 7 GLN : amide:sc= -11.4! C(o=-11!,f=-5.5!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.491 X(o=-0.49,f=-0.064) USER MOD Single : A 12 THR OG1 : rot 120:sc= -0.373! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -156:sc= -1.17 (180deg=-2.27!) USER MOD Single : A 23 MET CE :methyl 153:sc= -3.39 (180deg=-5.41!) USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= -7.58! (180deg=-7.95!) USER MOD Single : A 31 LYS NZ :NH3+ -142:sc= -0.193 (180deg=-0.717) USER MOD Single : A 34 ASN : amide:sc= -5.35! C(o=-5.4!,f=-17!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 131:sc= -3.92! (180deg=-6.58!) USER MOD Single : A 49 LYS NZ :NH3+ -154:sc= -0.245 (180deg=-1.29!) USER MOD Single : A 50 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.031) USER MOD Single : A 54 ASN : amide:sc= -1.87 X(o=-1.9,f=-2.1) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.318 USER MOD Single : A 59 SER OG : rot 131:sc= 1.71 USER MOD Single : A 67 GLN : amide:sc=-0.00535 K(o=-0.0054,f=-0.51) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.699 X(o=-0.7,f=-0.7) USER MOD Single : A 77 TYR OH : rot -91:sc= 0.0342 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -160:sc= 0 USER MOD Single : A 82 SER OG : rot -4:sc= 0.977 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0441 USER MOD Single : A 84 ASN : amide:sc= -3.05! K(o=-3!,f=-0.53) USER MOD Single : A 85 THR OG1 : rot -81:sc= 1.29 USER MOD Single : A 87 CYS SG : rot -67:sc= 0.874 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.5!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -2.27 K(o=-2.3,f=-1.5) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -6.758 10.666 -0.696 1.00 1.00 N ATOM 16 CA ASP A 2 -6.701 11.024 -2.139 1.00 1.00 C ATOM 17 C ASP A 2 -6.145 9.828 -2.918 1.00 1.00 C ATOM 18 O ASP A 2 -5.010 9.434 -2.740 1.00 1.00 O ATOM 19 CB ASP A 2 -5.792 12.248 -2.329 1.00 1.00 C ATOM 20 CG ASP A 2 -6.647 13.510 -2.488 1.00 1.00 C ATOM 21 OD1 ASP A 2 -7.532 13.500 -3.328 1.00 1.00 O ATOM 22 OD2 ASP A 2 -6.401 14.463 -1.767 1.00 1.00 O ATOM 0 HA ASP A 2 -7.698 11.268 -2.506 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -5.126 12.354 -1.473 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -5.162 12.112 -3.208 1.00 1.00 H new ATOM 27 N TRP A 3 -6.941 9.241 -3.767 1.00 1.00 N ATOM 28 CA TRP A 3 -6.470 8.060 -4.546 1.00 1.00 C ATOM 29 C TRP A 3 -5.073 8.337 -5.109 1.00 1.00 C ATOM 30 O TRP A 3 -4.286 7.434 -5.306 1.00 1.00 O ATOM 31 CB TRP A 3 -7.470 7.783 -5.675 1.00 1.00 C ATOM 32 CG TRP A 3 -6.848 6.947 -6.753 1.00 1.00 C ATOM 33 CD1 TRP A 3 -6.900 7.242 -8.072 1.00 1.00 C ATOM 34 CD2 TRP A 3 -6.102 5.695 -6.645 1.00 1.00 C ATOM 35 NE1 TRP A 3 -6.230 6.263 -8.779 1.00 1.00 N ATOM 36 CE2 TRP A 3 -5.721 5.288 -7.947 1.00 1.00 C ATOM 37 CE3 TRP A 3 -5.719 4.880 -5.561 1.00 1.00 C ATOM 38 CZ2 TRP A 3 -4.989 4.121 -8.166 1.00 1.00 C ATOM 39 CZ3 TRP A 3 -4.982 3.704 -5.780 1.00 1.00 C ATOM 40 CH2 TRP A 3 -4.618 3.327 -7.080 1.00 1.00 C ATOM 0 H TRP A 3 -7.901 9.529 -3.956 1.00 1.00 H new ATOM 0 HA TRP A 3 -6.408 7.183 -3.902 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -8.345 7.272 -5.273 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -7.818 8.726 -6.097 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -7.387 8.104 -8.503 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -6.124 6.261 -9.794 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -5.994 5.161 -4.555 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -4.711 3.834 -9.169 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -4.694 3.087 -4.942 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -4.051 2.422 -7.241 1.00 1.00 H new ATOM 51 N GLU A 4 -4.751 9.577 -5.351 1.00 1.00 N ATOM 52 CA GLU A 4 -3.397 9.896 -5.883 1.00 1.00 C ATOM 53 C GLU A 4 -2.349 9.507 -4.840 1.00 1.00 C ATOM 54 O GLU A 4 -1.713 8.481 -4.942 1.00 1.00 O ATOM 55 CB GLU A 4 -3.300 11.394 -6.178 1.00 1.00 C ATOM 56 CG GLU A 4 -1.947 11.703 -6.820 1.00 1.00 C ATOM 57 CD GLU A 4 -1.953 13.133 -7.362 1.00 1.00 C ATOM 58 OE1 GLU A 4 -2.259 14.034 -6.599 1.00 1.00 O ATOM 59 OE2 GLU A 4 -1.652 13.302 -8.533 1.00 1.00 O ATOM 0 H GLU A 4 -5.363 10.380 -5.204 1.00 1.00 H new ATOM 0 HA GLU A 4 -3.223 9.340 -6.804 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -4.108 11.697 -6.844 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -3.416 11.965 -5.257 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -1.149 11.584 -6.087 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -1.746 10.998 -7.627 1.00 1.00 H new ATOM 66 N THR A 5 -2.166 10.310 -3.829 1.00 1.00 N ATOM 67 CA THR A 5 -1.161 9.959 -2.789 1.00 1.00 C ATOM 68 C THR A 5 -1.410 8.527 -2.325 1.00 1.00 C ATOM 69 O THR A 5 -0.513 7.708 -2.298 1.00 1.00 O ATOM 70 CB THR A 5 -1.286 10.913 -1.600 1.00 1.00 C ATOM 71 OG1 THR A 5 -0.442 10.467 -0.547 1.00 1.00 O ATOM 72 CG2 THR A 5 -2.737 10.953 -1.112 1.00 1.00 C ATOM 0 H THR A 5 -2.665 11.187 -3.679 1.00 1.00 H new ATOM 0 HA THR A 5 -0.158 10.045 -3.206 1.00 1.00 H new ATOM 0 HB THR A 5 -0.987 11.914 -1.910 1.00 1.00 H new ATOM 0 HG1 THR A 5 -0.519 11.078 0.215 1.00 1.00 H new ATOM 0 HG21 THR A 5 -2.817 11.635 -0.265 1.00 1.00 H new ATOM 0 HG22 THR A 5 -3.383 11.299 -1.919 1.00 1.00 H new ATOM 0 HG23 THR A 5 -3.045 9.954 -0.804 1.00 1.00 H new ATOM 80 N PHE A 6 -2.627 8.211 -1.972 1.00 1.00 N ATOM 81 CA PHE A 6 -2.932 6.826 -1.527 1.00 1.00 C ATOM 82 C PHE A 6 -2.342 5.844 -2.540 1.00 1.00 C ATOM 83 O PHE A 6 -2.047 4.711 -2.226 1.00 1.00 O ATOM 84 CB PHE A 6 -4.449 6.642 -1.453 1.00 1.00 C ATOM 85 CG PHE A 6 -4.777 5.440 -0.602 1.00 1.00 C ATOM 86 CD1 PHE A 6 -4.681 5.524 0.792 1.00 1.00 C ATOM 87 CD2 PHE A 6 -5.181 4.243 -1.204 1.00 1.00 C ATOM 88 CE1 PHE A 6 -4.989 4.411 1.582 1.00 1.00 C ATOM 89 CE2 PHE A 6 -5.491 3.130 -0.414 1.00 1.00 C ATOM 90 CZ PHE A 6 -5.394 3.214 0.980 1.00 1.00 C ATOM 0 H PHE A 6 -3.420 8.853 -1.973 1.00 1.00 H new ATOM 0 HA PHE A 6 -2.500 6.643 -0.543 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -4.913 7.534 -1.032 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -4.858 6.512 -2.455 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -4.369 6.447 1.257 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -5.254 4.178 -2.280 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -4.914 4.476 2.657 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -5.805 2.207 -0.879 1.00 1.00 H new ATOM 0 HZ PHE A 6 -5.632 2.356 1.591 1.00 1.00 H new ATOM 100 N GLN A 7 -2.160 6.277 -3.757 1.00 1.00 N ATOM 101 CA GLN A 7 -1.579 5.373 -4.788 1.00 1.00 C ATOM 102 C GLN A 7 -0.059 5.521 -4.782 1.00 1.00 C ATOM 103 O GLN A 7 0.659 4.684 -5.291 1.00 1.00 O ATOM 104 CB GLN A 7 -2.136 5.744 -6.169 1.00 1.00 C ATOM 105 CG GLN A 7 -1.466 4.889 -7.251 1.00 1.00 C ATOM 106 CD GLN A 7 -0.110 5.489 -7.646 1.00 1.00 C ATOM 107 OE1 GLN A 7 0.623 4.899 -8.415 1.00 1.00 O ATOM 108 NE2 GLN A 7 0.260 6.641 -7.155 1.00 1.00 N ATOM 0 H GLN A 7 -2.388 7.217 -4.081 1.00 1.00 H new ATOM 0 HA GLN A 7 -1.844 4.339 -4.565 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -3.215 5.590 -6.188 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -1.961 6.801 -6.369 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -1.328 3.872 -6.885 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -2.112 4.828 -8.127 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -0.352 7.140 -6.509 1.00 1.00 H new ATOM 0 HE22 GLN A 7 1.161 7.042 -7.417 1.00 1.00 H new ATOM 117 N LYS A 8 0.437 6.595 -4.228 1.00 1.00 N ATOM 118 CA LYS A 8 1.911 6.814 -4.211 1.00 1.00 C ATOM 119 C LYS A 8 2.546 6.209 -2.952 1.00 1.00 C ATOM 120 O LYS A 8 3.549 5.528 -3.024 1.00 1.00 O ATOM 121 CB LYS A 8 2.188 8.319 -4.240 1.00 1.00 C ATOM 122 CG LYS A 8 1.423 8.968 -5.406 1.00 1.00 C ATOM 123 CD LYS A 8 2.273 8.918 -6.683 1.00 1.00 C ATOM 124 CE LYS A 8 3.203 10.132 -6.738 1.00 1.00 C ATOM 125 NZ LYS A 8 3.994 10.095 -8.000 1.00 1.00 N ATOM 0 H LYS A 8 -0.116 7.330 -3.787 1.00 1.00 H new ATOM 0 HA LYS A 8 2.346 6.326 -5.083 1.00 1.00 H new ATOM 0 HB2 LYS A 8 1.884 8.772 -3.297 1.00 1.00 H new ATOM 0 HB3 LYS A 8 3.257 8.499 -4.350 1.00 1.00 H new ATOM 0 HG2 LYS A 8 0.479 8.448 -5.567 1.00 1.00 H new ATOM 0 HG3 LYS A 8 1.179 10.002 -5.161 1.00 1.00 H new ATOM 0 HD2 LYS A 8 2.859 7.999 -6.705 1.00 1.00 H new ATOM 0 HD3 LYS A 8 1.626 8.904 -7.560 1.00 1.00 H new ATOM 0 HE2 LYS A 8 2.621 11.052 -6.688 1.00 1.00 H new ATOM 0 HE3 LYS A 8 3.872 10.131 -5.877 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 4.626 10.920 -8.038 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 4.560 9.223 -8.029 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 3.348 10.116 -8.815 1.00 1.00 H new ATOM 139 N LYS A 9 1.999 6.477 -1.795 1.00 1.00 N ATOM 140 CA LYS A 9 2.613 5.941 -0.539 1.00 1.00 C ATOM 141 C LYS A 9 2.043 4.565 -0.166 1.00 1.00 C ATOM 142 O LYS A 9 2.770 3.688 0.252 1.00 1.00 O ATOM 143 CB LYS A 9 2.360 6.924 0.610 1.00 1.00 C ATOM 144 CG LYS A 9 0.918 7.436 0.553 1.00 1.00 C ATOM 145 CD LYS A 9 0.655 8.344 1.757 1.00 1.00 C ATOM 146 CE LYS A 9 -0.854 8.550 1.926 1.00 1.00 C ATOM 147 NZ LYS A 9 -1.514 8.506 0.591 1.00 1.00 N ATOM 0 H LYS A 9 1.159 7.040 -1.663 1.00 1.00 H new ATOM 0 HA LYS A 9 3.683 5.825 -0.713 1.00 1.00 H new ATOM 0 HB2 LYS A 9 2.543 6.434 1.566 1.00 1.00 H new ATOM 0 HB3 LYS A 9 3.055 7.761 0.543 1.00 1.00 H new ATOM 0 HG2 LYS A 9 0.751 7.985 -0.374 1.00 1.00 H new ATOM 0 HG3 LYS A 9 0.222 6.597 0.557 1.00 1.00 H new ATOM 0 HD2 LYS A 9 1.075 7.899 2.659 1.00 1.00 H new ATOM 0 HD3 LYS A 9 1.150 9.305 1.616 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -1.267 7.777 2.573 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -1.049 9.508 2.409 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -2.513 8.779 0.688 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -1.036 9.166 -0.055 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -1.455 7.542 0.206 1.00 1.00 H new ATOM 161 N HIS A 10 0.757 4.367 -0.274 1.00 1.00 N ATOM 162 CA HIS A 10 0.184 3.042 0.124 1.00 1.00 C ATOM 163 C HIS A 10 0.309 2.019 -1.011 1.00 1.00 C ATOM 164 O HIS A 10 -0.001 0.859 -0.828 1.00 1.00 O ATOM 165 CB HIS A 10 -1.291 3.210 0.502 1.00 1.00 C ATOM 166 CG HIS A 10 -1.394 3.744 1.906 1.00 1.00 C ATOM 167 ND1 HIS A 10 -1.011 2.997 3.012 1.00 1.00 N ATOM 168 CD2 HIS A 10 -1.832 4.948 2.400 1.00 1.00 C ATOM 169 CE1 HIS A 10 -1.224 3.752 4.105 1.00 1.00 C ATOM 170 NE2 HIS A 10 -1.724 4.948 3.785 1.00 1.00 N ATOM 0 H HIS A 10 0.084 5.053 -0.615 1.00 1.00 H new ATOM 0 HA HIS A 10 0.747 2.673 0.981 1.00 1.00 H new ATOM 0 HB2 HIS A 10 -1.780 3.892 -0.194 1.00 1.00 H new ATOM 0 HB3 HIS A 10 -1.808 2.253 0.427 1.00 1.00 H new ATOM 0 HD2 HIS A 10 -2.203 5.768 1.804 1.00 1.00 H new ATOM 0 HE1 HIS A 10 -1.016 3.431 5.115 1.00 1.00 H new ATOM 0 HE2 HIS A 10 -1.974 5.703 4.423 1.00 1.00 H new ATOM 179 N LEU A 11 0.751 2.415 -2.177 1.00 1.00 N ATOM 180 CA LEU A 11 0.871 1.418 -3.286 1.00 1.00 C ATOM 181 C LEU A 11 2.115 1.682 -4.125 1.00 1.00 C ATOM 182 O LEU A 11 2.625 2.784 -4.186 1.00 1.00 O ATOM 183 CB LEU A 11 -0.366 1.495 -4.187 1.00 1.00 C ATOM 184 CG LEU A 11 -1.543 0.776 -3.510 1.00 1.00 C ATOM 185 CD1 LEU A 11 -2.506 1.800 -2.907 1.00 1.00 C ATOM 186 CD2 LEU A 11 -2.289 -0.079 -4.540 1.00 1.00 C ATOM 0 H LEU A 11 1.030 3.368 -2.408 1.00 1.00 H new ATOM 0 HA LEU A 11 0.950 0.425 -2.843 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -0.625 2.536 -4.378 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -0.154 1.037 -5.153 1.00 1.00 H new ATOM 0 HG LEU A 11 -1.156 0.136 -2.717 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -3.337 1.281 -2.429 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -1.980 2.402 -2.166 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -2.888 2.448 -3.695 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -3.123 -0.587 -4.056 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -2.667 0.560 -5.338 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -1.608 -0.819 -4.960 1.00 1.00 H new ATOM 198 N THR A 12 2.594 0.663 -4.786 1.00 1.00 N ATOM 199 CA THR A 12 3.802 0.821 -5.649 1.00 1.00 C ATOM 200 C THR A 12 3.597 0.048 -6.953 1.00 1.00 C ATOM 201 O THR A 12 2.486 -0.291 -7.312 1.00 1.00 O ATOM 202 CB THR A 12 5.039 0.284 -4.925 1.00 1.00 C ATOM 203 OG1 THR A 12 6.128 0.255 -5.836 1.00 1.00 O ATOM 204 CG2 THR A 12 4.775 -1.134 -4.398 1.00 1.00 C ATOM 0 H THR A 12 2.199 -0.277 -4.766 1.00 1.00 H new ATOM 0 HA THR A 12 3.950 1.879 -5.867 1.00 1.00 H new ATOM 0 HB THR A 12 5.272 0.933 -4.081 1.00 1.00 H new ATOM 0 HG1 THR A 12 6.850 0.827 -5.501 1.00 1.00 H new ATOM 0 HG21 THR A 12 5.663 -1.503 -3.885 1.00 1.00 H new ATOM 0 HG22 THR A 12 3.937 -1.113 -3.702 1.00 1.00 H new ATOM 0 HG23 THR A 12 4.537 -1.794 -5.232 1.00 1.00 H new ATOM 212 N ASP A 13 4.655 -0.222 -7.674 1.00 1.00 N ATOM 213 CA ASP A 13 4.517 -0.959 -8.966 1.00 1.00 C ATOM 214 C ASP A 13 5.314 -2.268 -8.933 1.00 1.00 C ATOM 215 O ASP A 13 5.362 -2.988 -9.911 1.00 1.00 O ATOM 216 CB ASP A 13 5.043 -0.082 -10.104 1.00 1.00 C ATOM 217 CG ASP A 13 6.475 0.354 -9.792 1.00 1.00 C ATOM 218 OD1 ASP A 13 6.674 0.967 -8.755 1.00 1.00 O ATOM 219 OD2 ASP A 13 7.349 0.068 -10.593 1.00 1.00 O ATOM 0 H ASP A 13 5.609 0.036 -7.423 1.00 1.00 H new ATOM 0 HA ASP A 13 3.464 -1.193 -9.123 1.00 1.00 H new ATOM 0 HB2 ASP A 13 5.016 -0.633 -11.044 1.00 1.00 H new ATOM 0 HB3 ASP A 13 4.404 0.792 -10.228 1.00 1.00 H new ATOM 224 N THR A 14 5.949 -2.590 -7.833 1.00 1.00 N ATOM 225 CA THR A 14 6.742 -3.858 -7.788 1.00 1.00 C ATOM 226 C THR A 14 6.569 -4.542 -6.429 1.00 1.00 C ATOM 227 O THR A 14 6.316 -3.906 -5.427 1.00 1.00 O ATOM 228 CB THR A 14 8.220 -3.538 -8.008 1.00 1.00 C ATOM 229 OG1 THR A 14 8.964 -4.747 -8.052 1.00 1.00 O ATOM 230 CG2 THR A 14 8.729 -2.665 -6.862 1.00 1.00 C ATOM 0 H THR A 14 5.954 -2.038 -6.975 1.00 1.00 H new ATOM 0 HA THR A 14 6.386 -4.528 -8.571 1.00 1.00 H new ATOM 0 HB THR A 14 8.340 -3.004 -8.950 1.00 1.00 H new ATOM 0 HG1 THR A 14 9.413 -4.823 -8.920 1.00 1.00 H new ATOM 0 HG21 THR A 14 9.783 -2.437 -7.019 1.00 1.00 H new ATOM 0 HG22 THR A 14 8.158 -1.737 -6.830 1.00 1.00 H new ATOM 0 HG23 THR A 14 8.610 -3.197 -5.918 1.00 1.00 H new ATOM 238 N LYS A 15 6.713 -5.840 -6.395 1.00 1.00 N ATOM 239 CA LYS A 15 6.568 -6.577 -5.107 1.00 1.00 C ATOM 240 C LYS A 15 7.810 -6.335 -4.248 1.00 1.00 C ATOM 241 O LYS A 15 7.794 -6.525 -3.049 1.00 1.00 O ATOM 242 CB LYS A 15 6.426 -8.074 -5.391 1.00 1.00 C ATOM 243 CG LYS A 15 7.648 -8.564 -6.174 1.00 1.00 C ATOM 244 CD LYS A 15 7.358 -9.944 -6.768 1.00 1.00 C ATOM 245 CE LYS A 15 7.183 -10.964 -5.640 1.00 1.00 C ATOM 246 NZ LYS A 15 7.295 -12.342 -6.196 1.00 1.00 N ATOM 0 H LYS A 15 6.925 -6.422 -7.205 1.00 1.00 H new ATOM 0 HA LYS A 15 5.683 -6.224 -4.578 1.00 1.00 H new ATOM 0 HB2 LYS A 15 6.335 -8.625 -4.455 1.00 1.00 H new ATOM 0 HB3 LYS A 15 5.516 -8.262 -5.961 1.00 1.00 H new ATOM 0 HG2 LYS A 15 7.890 -7.858 -6.969 1.00 1.00 H new ATOM 0 HG3 LYS A 15 8.517 -8.615 -5.518 1.00 1.00 H new ATOM 0 HD2 LYS A 15 6.457 -9.905 -7.380 1.00 1.00 H new ATOM 0 HD3 LYS A 15 8.175 -10.248 -7.423 1.00 1.00 H new ATOM 0 HE2 LYS A 15 7.941 -10.807 -4.872 1.00 1.00 H new ATOM 0 HE3 LYS A 15 6.213 -10.831 -5.162 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 7.176 -13.036 -5.431 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 6.556 -12.488 -6.913 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 8.231 -12.465 -6.633 1.00 1.00 H new ATOM 260 N LYS A 16 8.885 -5.915 -4.861 1.00 1.00 N ATOM 261 CA LYS A 16 10.141 -5.650 -4.096 1.00 1.00 C ATOM 262 C LYS A 16 10.528 -4.179 -4.266 1.00 1.00 C ATOM 263 O LYS A 16 11.531 -3.854 -4.869 1.00 1.00 O ATOM 264 CB LYS A 16 11.266 -6.544 -4.633 1.00 1.00 C ATOM 265 CG LYS A 16 11.346 -6.427 -6.161 1.00 1.00 C ATOM 266 CD LYS A 16 12.130 -7.614 -6.723 1.00 1.00 C ATOM 267 CE LYS A 16 12.507 -7.335 -8.178 1.00 1.00 C ATOM 268 NZ LYS A 16 11.365 -6.673 -8.871 1.00 1.00 N ATOM 0 H LYS A 16 8.948 -5.743 -5.864 1.00 1.00 H new ATOM 0 HA LYS A 16 9.983 -5.868 -3.040 1.00 1.00 H new ATOM 0 HB2 LYS A 16 12.217 -6.253 -4.188 1.00 1.00 H new ATOM 0 HB3 LYS A 16 11.085 -7.581 -4.348 1.00 1.00 H new ATOM 0 HG2 LYS A 16 10.343 -6.405 -6.588 1.00 1.00 H new ATOM 0 HG3 LYS A 16 11.832 -5.492 -6.440 1.00 1.00 H new ATOM 0 HD2 LYS A 16 13.029 -7.783 -6.130 1.00 1.00 H new ATOM 0 HD3 LYS A 16 11.530 -8.522 -6.660 1.00 1.00 H new ATOM 0 HE2 LYS A 16 13.390 -6.697 -8.220 1.00 1.00 H new ATOM 0 HE3 LYS A 16 12.762 -8.266 -8.683 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 11.470 -6.786 -9.899 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 10.472 -7.110 -8.564 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 11.354 -5.661 -8.633 1.00 1.00 H new ATOM 282 N VAL A 17 9.733 -3.285 -3.744 1.00 1.00 N ATOM 283 CA VAL A 17 10.050 -1.836 -3.883 1.00 1.00 C ATOM 284 C VAL A 17 11.473 -1.570 -3.429 1.00 1.00 C ATOM 285 O VAL A 17 12.122 -2.408 -2.837 1.00 1.00 O ATOM 286 CB VAL A 17 9.114 -1.009 -3.005 1.00 1.00 C ATOM 287 CG1 VAL A 17 7.675 -1.223 -3.452 1.00 1.00 C ATOM 288 CG2 VAL A 17 9.273 -1.437 -1.542 1.00 1.00 C ATOM 0 H VAL A 17 8.879 -3.495 -3.228 1.00 1.00 H new ATOM 0 HA VAL A 17 9.929 -1.559 -4.930 1.00 1.00 H new ATOM 0 HB VAL A 17 9.365 0.047 -3.099 1.00 1.00 H new ATOM 0 HG11 VAL A 17 7.007 -0.632 -2.825 1.00 1.00 H new ATOM 0 HG12 VAL A 17 7.567 -0.912 -4.491 1.00 1.00 H new ATOM 0 HG13 VAL A 17 7.419 -2.279 -3.361 1.00 1.00 H new ATOM 0 HG21 VAL A 17 8.605 -0.846 -0.915 1.00 1.00 H new ATOM 0 HG22 VAL A 17 9.024 -2.494 -1.443 1.00 1.00 H new ATOM 0 HG23 VAL A 17 10.304 -1.276 -1.226 1.00 1.00 H new ATOM 298 N LYS A 18 11.947 -0.387 -3.683 1.00 1.00 N ATOM 299 CA LYS A 18 13.316 -0.023 -3.247 1.00 1.00 C ATOM 300 C LYS A 18 13.192 0.792 -1.965 1.00 1.00 C ATOM 301 O LYS A 18 13.461 1.974 -1.939 1.00 1.00 O ATOM 302 CB LYS A 18 14.008 0.806 -4.331 1.00 1.00 C ATOM 303 CG LYS A 18 13.025 1.838 -4.895 1.00 1.00 C ATOM 304 CD LYS A 18 13.730 2.716 -5.942 1.00 1.00 C ATOM 305 CE LYS A 18 13.535 2.120 -7.341 1.00 1.00 C ATOM 306 NZ LYS A 18 14.187 0.782 -7.409 1.00 1.00 N ATOM 0 H LYS A 18 11.441 0.348 -4.177 1.00 1.00 H new ATOM 0 HA LYS A 18 13.912 -0.919 -3.073 1.00 1.00 H new ATOM 0 HB2 LYS A 18 14.881 1.309 -3.916 1.00 1.00 H new ATOM 0 HB3 LYS A 18 14.365 0.155 -5.129 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.172 1.331 -5.347 1.00 1.00 H new ATOM 0 HG3 LYS A 18 12.635 2.460 -4.089 1.00 1.00 H new ATOM 0 HD2 LYS A 18 13.328 3.729 -5.910 1.00 1.00 H new ATOM 0 HD3 LYS A 18 14.793 2.787 -5.713 1.00 1.00 H new ATOM 0 HE2 LYS A 18 12.472 2.030 -7.564 1.00 1.00 H new ATOM 0 HE3 LYS A 18 13.963 2.783 -8.093 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 14.418 0.558 -8.398 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 15.060 0.792 -6.843 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 13.539 0.061 -7.033 1.00 1.00 H new ATOM 320 N CYS A 19 12.752 0.162 -0.911 1.00 1.00 N ATOM 321 CA CYS A 19 12.565 0.872 0.386 1.00 1.00 C ATOM 322 C CYS A 19 13.629 1.963 0.571 1.00 1.00 C ATOM 323 O CYS A 19 13.381 2.990 1.177 1.00 1.00 O ATOM 324 CB CYS A 19 12.680 -0.136 1.528 1.00 1.00 C ATOM 325 SG CYS A 19 11.184 -1.151 1.582 1.00 1.00 S ATOM 0 H CYS A 19 12.511 -0.829 -0.893 1.00 1.00 H new ATOM 0 HA CYS A 19 11.581 1.341 0.388 1.00 1.00 H new ATOM 0 HB2 CYS A 19 13.557 -0.767 1.384 1.00 1.00 H new ATOM 0 HB3 CYS A 19 12.814 0.385 2.476 1.00 1.00 H new ATOM 330 N ASP A 20 14.811 1.751 0.055 1.00 1.00 N ATOM 331 CA ASP A 20 15.887 2.770 0.210 1.00 1.00 C ATOM 332 C ASP A 20 15.364 4.126 -0.249 1.00 1.00 C ATOM 333 O ASP A 20 15.622 5.145 0.362 1.00 1.00 O ATOM 334 CB ASP A 20 17.094 2.372 -0.643 1.00 1.00 C ATOM 335 CG ASP A 20 18.149 3.477 -0.581 1.00 1.00 C ATOM 336 OD1 ASP A 20 18.095 4.369 -1.412 1.00 1.00 O ATOM 337 OD2 ASP A 20 18.996 3.413 0.296 1.00 1.00 O ATOM 0 H ASP A 20 15.077 0.916 -0.467 1.00 1.00 H new ATOM 0 HA ASP A 20 16.188 2.829 1.256 1.00 1.00 H new ATOM 0 HB2 ASP A 20 17.514 1.433 -0.282 1.00 1.00 H new ATOM 0 HB3 ASP A 20 16.785 2.207 -1.675 1.00 1.00 H new ATOM 342 N VAL A 21 14.614 4.141 -1.311 1.00 1.00 N ATOM 343 CA VAL A 21 14.048 5.418 -1.820 1.00 1.00 C ATOM 344 C VAL A 21 12.563 5.470 -1.454 1.00 1.00 C ATOM 345 O VAL A 21 12.018 6.519 -1.172 1.00 1.00 O ATOM 346 CB VAL A 21 14.212 5.475 -3.343 1.00 1.00 C ATOM 347 CG1 VAL A 21 14.426 6.926 -3.795 1.00 1.00 C ATOM 348 CG2 VAL A 21 15.421 4.632 -3.761 1.00 1.00 C ATOM 0 H VAL A 21 14.366 3.314 -1.855 1.00 1.00 H new ATOM 0 HA VAL A 21 14.568 6.267 -1.376 1.00 1.00 H new ATOM 0 HB VAL A 21 13.310 5.082 -3.811 1.00 1.00 H new ATOM 0 HG11 VAL A 21 14.542 6.956 -4.878 1.00 1.00 H new ATOM 0 HG12 VAL A 21 13.565 7.528 -3.505 1.00 1.00 H new ATOM 0 HG13 VAL A 21 15.324 7.325 -3.323 1.00 1.00 H new ATOM 0 HG21 VAL A 21 15.536 4.673 -4.844 1.00 1.00 H new ATOM 0 HG22 VAL A 21 16.320 5.024 -3.285 1.00 1.00 H new ATOM 0 HG23 VAL A 21 15.268 3.598 -3.452 1.00 1.00 H new ATOM 358 N GLU A 22 11.906 4.339 -1.433 1.00 1.00 N ATOM 359 CA GLU A 22 10.463 4.328 -1.062 1.00 1.00 C ATOM 360 C GLU A 22 10.328 4.947 0.330 1.00 1.00 C ATOM 361 O GLU A 22 9.242 5.182 0.820 1.00 1.00 O ATOM 362 CB GLU A 22 9.940 2.882 -1.052 1.00 1.00 C ATOM 363 CG GLU A 22 8.644 2.791 -1.863 1.00 1.00 C ATOM 364 CD GLU A 22 8.956 2.975 -3.350 1.00 1.00 C ATOM 365 OE1 GLU A 22 10.105 3.240 -3.665 1.00 1.00 O ATOM 366 OE2 GLU A 22 8.042 2.849 -4.147 1.00 1.00 O ATOM 0 H GLU A 22 12.306 3.427 -1.656 1.00 1.00 H new ATOM 0 HA GLU A 22 9.879 4.899 -1.784 1.00 1.00 H new ATOM 0 HB2 GLU A 22 10.690 2.212 -1.472 1.00 1.00 H new ATOM 0 HB3 GLU A 22 9.761 2.558 -0.027 1.00 1.00 H new ATOM 0 HG2 GLU A 22 8.167 1.825 -1.698 1.00 1.00 H new ATOM 0 HG3 GLU A 22 7.941 3.555 -1.531 1.00 1.00 H new ATOM 373 N MET A 23 11.442 5.209 0.963 1.00 1.00 N ATOM 374 CA MET A 23 11.421 5.815 2.327 1.00 1.00 C ATOM 375 C MET A 23 12.310 7.061 2.344 1.00 1.00 C ATOM 376 O MET A 23 11.939 8.093 2.864 1.00 1.00 O ATOM 377 CB MET A 23 11.961 4.805 3.340 1.00 1.00 C ATOM 378 CG MET A 23 11.029 3.594 3.408 1.00 1.00 C ATOM 379 SD MET A 23 11.354 2.676 4.934 1.00 1.00 S ATOM 380 CE MET A 23 10.714 3.909 6.094 1.00 1.00 C ATOM 0 H MET A 23 12.374 5.027 0.589 1.00 1.00 H new ATOM 0 HA MET A 23 10.398 6.088 2.586 1.00 1.00 H new ATOM 0 HB2 MET A 23 12.964 4.489 3.053 1.00 1.00 H new ATOM 0 HB3 MET A 23 12.042 5.269 4.323 1.00 1.00 H new ATOM 0 HG2 MET A 23 9.989 3.919 3.380 1.00 1.00 H new ATOM 0 HG3 MET A 23 11.186 2.951 2.542 1.00 1.00 H new ATOM 0 HE1 MET A 23 10.371 3.412 7.001 1.00 1.00 H new ATOM 0 HE2 MET A 23 11.504 4.617 6.345 1.00 1.00 H new ATOM 0 HE3 MET A 23 9.881 4.442 5.635 1.00 1.00 H new ATOM 390 N ALA A 24 13.486 6.973 1.787 1.00 1.00 N ATOM 391 CA ALA A 24 14.393 8.155 1.782 1.00 1.00 C ATOM 392 C ALA A 24 13.833 9.222 0.838 1.00 1.00 C ATOM 393 O ALA A 24 14.438 10.254 0.626 1.00 1.00 O ATOM 394 CB ALA A 24 15.784 7.731 1.311 1.00 1.00 C ATOM 0 H ALA A 24 13.857 6.137 1.336 1.00 1.00 H new ATOM 0 HA ALA A 24 14.464 8.564 2.790 1.00 1.00 H new ATOM 0 HB1 ALA A 24 16.447 8.597 1.308 1.00 1.00 H new ATOM 0 HB2 ALA A 24 16.181 6.973 1.986 1.00 1.00 H new ATOM 0 HB3 ALA A 24 15.718 7.321 0.303 1.00 1.00 H new ATOM 400 N LYS A 25 12.682 8.980 0.271 1.00 1.00 N ATOM 401 CA LYS A 25 12.082 9.981 -0.657 1.00 1.00 C ATOM 402 C LYS A 25 11.962 11.328 0.062 1.00 1.00 C ATOM 403 O LYS A 25 12.552 11.544 1.102 1.00 1.00 O ATOM 404 CB LYS A 25 10.685 9.505 -1.085 1.00 1.00 C ATOM 405 CG LYS A 25 10.777 8.696 -2.391 1.00 1.00 C ATOM 406 CD LYS A 25 9.817 7.500 -2.345 1.00 1.00 C ATOM 407 CE LYS A 25 8.422 7.932 -2.809 1.00 1.00 C ATOM 408 NZ LYS A 25 8.156 9.328 -2.364 1.00 1.00 N ATOM 0 H LYS A 25 12.131 8.133 0.410 1.00 1.00 H new ATOM 0 HA LYS A 25 12.715 10.091 -1.537 1.00 1.00 H new ATOM 0 HB2 LYS A 25 10.245 8.892 -0.299 1.00 1.00 H new ATOM 0 HB3 LYS A 25 10.028 10.363 -1.225 1.00 1.00 H new ATOM 0 HG2 LYS A 25 10.533 9.334 -3.240 1.00 1.00 H new ATOM 0 HG3 LYS A 25 11.799 8.346 -2.539 1.00 1.00 H new ATOM 0 HD2 LYS A 25 10.190 6.699 -2.983 1.00 1.00 H new ATOM 0 HD3 LYS A 25 9.766 7.103 -1.331 1.00 1.00 H new ATOM 0 HE2 LYS A 25 8.353 7.867 -3.895 1.00 1.00 H new ATOM 0 HE3 LYS A 25 7.668 7.260 -2.400 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 7.230 9.636 -2.723 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 8.154 9.367 -1.325 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 8.897 9.957 -2.733 1.00 1.00 H new ATOM 422 N ALA A 26 11.192 12.233 -0.482 1.00 1.00 N ATOM 423 CA ALA A 26 11.022 13.565 0.164 1.00 1.00 C ATOM 424 C ALA A 26 9.670 13.617 0.882 1.00 1.00 C ATOM 425 O ALA A 26 9.415 14.503 1.673 1.00 1.00 O ATOM 426 CB ALA A 26 11.068 14.656 -0.905 1.00 1.00 C ATOM 0 H ALA A 26 10.672 12.105 -1.350 1.00 1.00 H new ATOM 0 HA ALA A 26 11.824 13.724 0.885 1.00 1.00 H new ATOM 0 HB1 ALA A 26 10.944 15.632 -0.435 1.00 1.00 H new ATOM 0 HB2 ALA A 26 12.028 14.621 -1.420 1.00 1.00 H new ATOM 0 HB3 ALA A 26 10.265 14.495 -1.624 1.00 1.00 H new ATOM 432 N LEU A 27 8.799 12.677 0.615 1.00 1.00 N ATOM 433 CA LEU A 27 7.465 12.684 1.288 1.00 1.00 C ATOM 434 C LEU A 27 7.498 11.742 2.494 1.00 1.00 C ATOM 435 O LEU A 27 6.529 11.607 3.215 1.00 1.00 O ATOM 436 CB LEU A 27 6.383 12.240 0.292 1.00 1.00 C ATOM 437 CG LEU A 27 6.381 10.707 0.142 1.00 1.00 C ATOM 438 CD1 LEU A 27 5.533 10.053 1.250 1.00 1.00 C ATOM 439 CD2 LEU A 27 5.799 10.333 -1.229 1.00 1.00 C ATOM 0 H LEU A 27 8.953 11.908 -0.037 1.00 1.00 H new ATOM 0 HA LEU A 27 7.232 13.692 1.633 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.405 12.579 0.634 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.560 12.706 -0.678 1.00 1.00 H new ATOM 0 HG LEU A 27 7.406 10.346 0.226 1.00 1.00 H new ATOM 0 HD11 LEU A 27 5.545 8.970 1.126 1.00 1.00 H new ATOM 0 HD12 LEU A 27 5.947 10.311 2.225 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.507 10.415 1.184 1.00 1.00 H new ATOM 0 HD21 LEU A 27 5.796 9.249 -1.339 1.00 1.00 H new ATOM 0 HD22 LEU A 27 4.779 10.709 -1.306 1.00 1.00 H new ATOM 0 HD23 LEU A 27 6.409 10.776 -2.016 1.00 1.00 H new ATOM 451 N PHE A 28 8.614 11.099 2.722 1.00 1.00 N ATOM 452 CA PHE A 28 8.730 10.167 3.886 1.00 1.00 C ATOM 453 C PHE A 28 9.800 10.697 4.846 1.00 1.00 C ATOM 454 O PHE A 28 9.660 10.620 6.049 1.00 1.00 O ATOM 455 CB PHE A 28 9.142 8.775 3.390 1.00 1.00 C ATOM 456 CG PHE A 28 7.921 8.005 2.939 1.00 1.00 C ATOM 457 CD1 PHE A 28 6.915 7.680 3.858 1.00 1.00 C ATOM 458 CD2 PHE A 28 7.797 7.611 1.599 1.00 1.00 C ATOM 459 CE1 PHE A 28 5.787 6.965 3.439 1.00 1.00 C ATOM 460 CE2 PHE A 28 6.670 6.896 1.181 1.00 1.00 C ATOM 461 CZ PHE A 28 5.665 6.572 2.101 1.00 1.00 C ATOM 0 H PHE A 28 9.455 11.179 2.150 1.00 1.00 H new ATOM 0 HA PHE A 28 7.770 10.100 4.399 1.00 1.00 H new ATOM 0 HB2 PHE A 28 9.849 8.868 2.565 1.00 1.00 H new ATOM 0 HB3 PHE A 28 9.651 8.232 4.186 1.00 1.00 H new ATOM 0 HD1 PHE A 28 7.010 7.981 4.891 1.00 1.00 H new ATOM 0 HD2 PHE A 28 8.572 7.860 0.889 1.00 1.00 H new ATOM 0 HE1 PHE A 28 5.011 6.717 4.148 1.00 1.00 H new ATOM 0 HE2 PHE A 28 6.575 6.594 0.149 1.00 1.00 H new ATOM 0 HZ PHE A 28 4.796 6.019 1.778 1.00 1.00 H new ATOM 471 N ASP A 29 10.866 11.236 4.318 1.00 1.00 N ATOM 472 CA ASP A 29 11.952 11.776 5.190 1.00 1.00 C ATOM 473 C ASP A 29 12.738 10.618 5.815 1.00 1.00 C ATOM 474 O ASP A 29 13.058 10.634 6.986 1.00 1.00 O ATOM 475 CB ASP A 29 11.346 12.647 6.299 1.00 1.00 C ATOM 476 CG ASP A 29 10.103 13.364 5.767 1.00 1.00 C ATOM 477 OD1 ASP A 29 10.147 13.825 4.638 1.00 1.00 O ATOM 478 OD2 ASP A 29 9.129 13.439 6.496 1.00 1.00 O ATOM 0 H ASP A 29 11.033 11.326 3.316 1.00 1.00 H new ATOM 0 HA ASP A 29 12.625 12.384 4.586 1.00 1.00 H new ATOM 0 HB2 ASP A 29 11.082 12.029 7.157 1.00 1.00 H new ATOM 0 HB3 ASP A 29 12.079 13.376 6.644 1.00 1.00 H new ATOM 483 N CYS A 30 13.058 9.617 5.038 1.00 1.00 N ATOM 484 CA CYS A 30 13.829 8.461 5.583 1.00 1.00 C ATOM 485 C CYS A 30 13.243 8.034 6.932 1.00 1.00 C ATOM 486 O CYS A 30 13.894 8.113 7.954 1.00 1.00 O ATOM 487 CB CYS A 30 15.291 8.873 5.770 1.00 1.00 C ATOM 488 SG CYS A 30 16.239 7.471 6.411 1.00 1.00 S ATOM 0 H CYS A 30 12.819 9.550 4.049 1.00 1.00 H new ATOM 0 HA CYS A 30 13.768 7.625 4.886 1.00 1.00 H new ATOM 0 HB2 CYS A 30 15.710 9.205 4.820 1.00 1.00 H new ATOM 0 HB3 CYS A 30 15.357 9.715 6.459 1.00 1.00 H new ATOM 493 N LYS A 31 12.018 7.585 6.943 1.00 1.00 N ATOM 494 CA LYS A 31 11.390 7.157 8.227 1.00 1.00 C ATOM 495 C LYS A 31 12.119 5.921 8.763 1.00 1.00 C ATOM 496 O LYS A 31 13.326 5.809 8.670 1.00 1.00 O ATOM 497 CB LYS A 31 9.910 6.808 7.998 1.00 1.00 C ATOM 498 CG LYS A 31 9.273 7.770 6.974 1.00 1.00 C ATOM 499 CD LYS A 31 8.287 8.709 7.676 1.00 1.00 C ATOM 500 CE LYS A 31 7.125 7.903 8.277 1.00 1.00 C ATOM 501 NZ LYS A 31 7.193 7.973 9.765 1.00 1.00 N ATOM 0 H LYS A 31 11.424 7.496 6.119 1.00 1.00 H new ATOM 0 HA LYS A 31 11.462 7.972 8.947 1.00 1.00 H new ATOM 0 HB2 LYS A 31 9.825 5.781 7.642 1.00 1.00 H new ATOM 0 HB3 LYS A 31 9.368 6.864 8.942 1.00 1.00 H new ATOM 0 HG2 LYS A 31 10.050 8.351 6.477 1.00 1.00 H new ATOM 0 HG3 LYS A 31 8.757 7.201 6.201 1.00 1.00 H new ATOM 0 HD2 LYS A 31 8.799 9.265 8.462 1.00 1.00 H new ATOM 0 HD3 LYS A 31 7.903 9.442 6.966 1.00 1.00 H new ATOM 0 HE2 LYS A 31 6.172 8.300 7.926 1.00 1.00 H new ATOM 0 HE3 LYS A 31 7.179 6.865 7.948 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 6.924 7.053 10.168 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 8.163 8.209 10.057 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 6.540 8.706 10.108 1.00 1.00 H new ATOM 515 N LYS A 32 11.388 4.992 9.322 1.00 1.00 N ATOM 516 CA LYS A 32 12.020 3.751 9.866 1.00 1.00 C ATOM 517 C LYS A 32 11.219 2.530 9.405 1.00 1.00 C ATOM 518 O LYS A 32 11.753 1.449 9.247 1.00 1.00 O ATOM 519 CB LYS A 32 12.023 3.812 11.397 1.00 1.00 C ATOM 520 CG LYS A 32 10.594 4.012 11.909 1.00 1.00 C ATOM 521 CD LYS A 32 10.581 3.964 13.444 1.00 1.00 C ATOM 522 CE LYS A 32 10.437 2.513 13.918 1.00 1.00 C ATOM 523 NZ LYS A 32 8.995 2.139 13.937 1.00 1.00 N ATOM 0 H LYS A 32 10.374 5.039 9.426 1.00 1.00 H new ATOM 0 HA LYS A 32 13.045 3.672 9.503 1.00 1.00 H new ATOM 0 HB2 LYS A 32 12.441 2.892 11.806 1.00 1.00 H new ATOM 0 HB3 LYS A 32 12.659 4.630 11.737 1.00 1.00 H new ATOM 0 HG2 LYS A 32 10.204 4.969 11.562 1.00 1.00 H new ATOM 0 HG3 LYS A 32 9.942 3.237 11.506 1.00 1.00 H new ATOM 0 HD2 LYS A 32 11.501 4.395 13.838 1.00 1.00 H new ATOM 0 HD3 LYS A 32 9.757 4.565 13.829 1.00 1.00 H new ATOM 0 HE2 LYS A 32 10.988 1.846 13.255 1.00 1.00 H new ATOM 0 HE3 LYS A 32 10.866 2.400 14.913 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 8.868 1.275 14.502 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 8.441 2.912 14.358 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 8.668 1.968 12.965 1.00 1.00 H new ATOM 537 N THR A 33 9.941 2.695 9.182 1.00 1.00 N ATOM 538 CA THR A 33 9.097 1.552 8.724 1.00 1.00 C ATOM 539 C THR A 33 8.149 2.043 7.628 1.00 1.00 C ATOM 540 O THR A 33 7.777 3.199 7.592 1.00 1.00 O ATOM 541 CB THR A 33 8.281 1.015 9.903 1.00 1.00 C ATOM 542 OG1 THR A 33 9.150 0.741 10.992 1.00 1.00 O ATOM 543 CG2 THR A 33 7.562 -0.269 9.485 1.00 1.00 C ATOM 0 H THR A 33 9.443 3.578 9.298 1.00 1.00 H new ATOM 0 HA THR A 33 9.732 0.756 8.334 1.00 1.00 H new ATOM 0 HB THR A 33 7.544 1.759 10.205 1.00 1.00 H new ATOM 0 HG1 THR A 33 8.629 0.399 11.748 1.00 1.00 H new ATOM 0 HG21 THR A 33 6.981 -0.651 10.325 1.00 1.00 H new ATOM 0 HG22 THR A 33 6.895 -0.057 8.649 1.00 1.00 H new ATOM 0 HG23 THR A 33 8.297 -1.015 9.183 1.00 1.00 H new ATOM 551 N ASN A 34 7.761 1.182 6.727 1.00 1.00 N ATOM 552 CA ASN A 34 6.845 1.619 5.634 1.00 1.00 C ATOM 553 C ASN A 34 6.104 0.411 5.059 1.00 1.00 C ATOM 554 O ASN A 34 6.589 -0.702 5.091 1.00 1.00 O ATOM 555 CB ASN A 34 7.666 2.279 4.526 1.00 1.00 C ATOM 556 CG ASN A 34 6.745 3.107 3.627 1.00 1.00 C ATOM 557 OD1 ASN A 34 5.634 2.706 3.343 1.00 1.00 O ATOM 558 ND2 ASN A 34 7.163 4.254 3.165 1.00 1.00 N ATOM 0 H ASN A 34 8.036 0.200 6.700 1.00 1.00 H new ATOM 0 HA ASN A 34 6.120 2.327 6.034 1.00 1.00 H new ATOM 0 HB2 ASN A 34 8.436 2.917 4.961 1.00 1.00 H new ATOM 0 HB3 ASN A 34 8.178 1.518 3.937 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.557 4.814 2.565 1.00 1.00 H new ATOM 0 HD22 ASN A 34 8.096 4.591 3.404 1.00 1.00 H new ATOM 565 N THR A 35 4.928 0.626 4.530 1.00 1.00 N ATOM 566 CA THR A 35 4.149 -0.503 3.945 1.00 1.00 C ATOM 567 C THR A 35 3.464 -0.042 2.657 1.00 1.00 C ATOM 568 O THR A 35 3.132 1.117 2.499 1.00 1.00 O ATOM 569 CB THR A 35 3.090 -0.963 4.949 1.00 1.00 C ATOM 570 OG1 THR A 35 3.731 -1.475 6.109 1.00 1.00 O ATOM 571 CG2 THR A 35 2.224 -2.054 4.319 1.00 1.00 C ATOM 0 H THR A 35 4.473 1.537 4.478 1.00 1.00 H new ATOM 0 HA THR A 35 4.823 -1.330 3.720 1.00 1.00 H new ATOM 0 HB THR A 35 2.459 -0.118 5.224 1.00 1.00 H new ATOM 0 HG1 THR A 35 3.054 -1.769 6.754 1.00 1.00 H new ATOM 0 HG21 THR A 35 1.471 -2.380 5.036 1.00 1.00 H new ATOM 0 HG22 THR A 35 1.732 -1.660 3.430 1.00 1.00 H new ATOM 0 HG23 THR A 35 2.851 -2.901 4.041 1.00 1.00 H new ATOM 579 N PHE A 36 3.234 -0.945 1.742 1.00 1.00 N ATOM 580 CA PHE A 36 2.549 -0.568 0.467 1.00 1.00 C ATOM 581 C PHE A 36 1.838 -1.803 -0.080 1.00 1.00 C ATOM 582 O PHE A 36 1.942 -2.871 0.480 1.00 1.00 O ATOM 583 CB PHE A 36 3.561 -0.068 -0.584 1.00 1.00 C ATOM 584 CG PHE A 36 4.809 0.480 0.072 1.00 1.00 C ATOM 585 CD1 PHE A 36 5.642 -0.363 0.814 1.00 1.00 C ATOM 586 CD2 PHE A 36 5.145 1.832 -0.085 1.00 1.00 C ATOM 587 CE1 PHE A 36 6.809 0.141 1.397 1.00 1.00 C ATOM 588 CE2 PHE A 36 6.310 2.336 0.503 1.00 1.00 C ATOM 589 CZ PHE A 36 7.142 1.491 1.242 1.00 1.00 C ATOM 0 H PHE A 36 3.490 -1.929 1.821 1.00 1.00 H new ATOM 0 HA PHE A 36 1.842 0.236 0.671 1.00 1.00 H new ATOM 0 HB2 PHE A 36 3.828 -0.886 -1.253 1.00 1.00 H new ATOM 0 HB3 PHE A 36 3.100 0.706 -1.197 1.00 1.00 H new ATOM 0 HD1 PHE A 36 5.384 -1.404 0.937 1.00 1.00 H new ATOM 0 HD2 PHE A 36 4.504 2.484 -0.660 1.00 1.00 H new ATOM 0 HE1 PHE A 36 7.453 -0.512 1.967 1.00 1.00 H new ATOM 0 HE2 PHE A 36 6.566 3.379 0.386 1.00 1.00 H new ATOM 0 HZ PHE A 36 8.043 1.880 1.694 1.00 1.00 H new ATOM 599 N ILE A 37 1.120 -1.670 -1.168 1.00 1.00 N ATOM 600 CA ILE A 37 0.408 -2.848 -1.749 1.00 1.00 C ATOM 601 C ILE A 37 0.874 -3.067 -3.186 1.00 1.00 C ATOM 602 O ILE A 37 0.977 -2.135 -3.967 1.00 1.00 O ATOM 603 CB ILE A 37 -1.106 -2.600 -1.733 1.00 1.00 C ATOM 604 CG1 ILE A 37 -1.537 -2.069 -0.354 1.00 1.00 C ATOM 605 CG2 ILE A 37 -1.845 -3.908 -2.036 1.00 1.00 C ATOM 606 CD1 ILE A 37 -2.809 -1.229 -0.496 1.00 1.00 C ATOM 0 H ILE A 37 0.997 -0.796 -1.678 1.00 1.00 H new ATOM 0 HA ILE A 37 0.633 -3.733 -1.154 1.00 1.00 H new ATOM 0 HB ILE A 37 -1.354 -1.859 -2.493 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -1.714 -2.901 0.327 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -0.739 -1.466 0.080 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -2.920 -3.730 -2.024 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -1.549 -4.274 -3.019 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -1.592 -4.652 -1.281 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -3.110 -0.856 0.483 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -2.617 -0.388 -1.162 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -3.607 -1.845 -0.910 1.00 1.00 H new ATOM 618 N TYR A 38 1.162 -4.293 -3.546 1.00 1.00 N ATOM 619 CA TYR A 38 1.618 -4.567 -4.940 1.00 1.00 C ATOM 620 C TYR A 38 0.398 -4.832 -5.825 1.00 1.00 C ATOM 621 O TYR A 38 -0.107 -5.936 -5.888 1.00 1.00 O ATOM 622 CB TYR A 38 2.538 -5.792 -4.953 1.00 1.00 C ATOM 623 CG TYR A 38 2.843 -6.188 -6.381 1.00 1.00 C ATOM 624 CD1 TYR A 38 3.459 -5.275 -7.247 1.00 1.00 C ATOM 625 CD2 TYR A 38 2.505 -7.468 -6.841 1.00 1.00 C ATOM 626 CE1 TYR A 38 3.738 -5.642 -8.569 1.00 1.00 C ATOM 627 CE2 TYR A 38 2.785 -7.834 -8.163 1.00 1.00 C ATOM 628 CZ TYR A 38 3.400 -6.921 -9.027 1.00 1.00 C ATOM 629 OH TYR A 38 3.675 -7.283 -10.330 1.00 1.00 O ATOM 0 H TYR A 38 1.101 -5.110 -2.938 1.00 1.00 H new ATOM 0 HA TYR A 38 2.167 -3.705 -5.320 1.00 1.00 H new ATOM 0 HB2 TYR A 38 3.463 -5.569 -4.422 1.00 1.00 H new ATOM 0 HB3 TYR A 38 2.062 -6.621 -4.430 1.00 1.00 H new ATOM 0 HD1 TYR A 38 3.719 -4.288 -6.895 1.00 1.00 H new ATOM 0 HD2 TYR A 38 2.028 -8.172 -6.175 1.00 1.00 H new ATOM 0 HE1 TYR A 38 4.214 -4.938 -9.236 1.00 1.00 H new ATOM 0 HE2 TYR A 38 2.526 -8.821 -8.516 1.00 1.00 H new ATOM 0 HH TYR A 38 3.377 -8.204 -10.483 1.00 1.00 H new ATOM 639 N ALA A 39 -0.078 -3.830 -6.512 1.00 1.00 N ATOM 640 CA ALA A 39 -1.264 -4.022 -7.396 1.00 1.00 C ATOM 641 C ALA A 39 -1.189 -3.036 -8.562 1.00 1.00 C ATOM 642 O ALA A 39 -0.656 -1.952 -8.435 1.00 1.00 O ATOM 643 CB ALA A 39 -2.544 -3.771 -6.595 1.00 1.00 C ATOM 0 H ALA A 39 0.304 -2.884 -6.500 1.00 1.00 H new ATOM 0 HA ALA A 39 -1.273 -5.042 -7.780 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -3.411 -3.911 -7.241 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -2.595 -4.472 -5.762 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -2.539 -2.751 -6.211 1.00 1.00 H new ATOM 649 N LEU A 40 -1.717 -3.402 -9.699 1.00 1.00 N ATOM 650 CA LEU A 40 -1.670 -2.481 -10.871 1.00 1.00 C ATOM 651 C LEU A 40 -2.902 -1.557 -10.839 1.00 1.00 C ATOM 652 O LEU A 40 -3.966 -1.950 -10.400 1.00 1.00 O ATOM 653 CB LEU A 40 -1.600 -3.319 -12.164 1.00 1.00 C ATOM 654 CG LEU A 40 -2.990 -3.529 -12.782 1.00 1.00 C ATOM 655 CD1 LEU A 40 -3.276 -2.400 -13.774 1.00 1.00 C ATOM 656 CD2 LEU A 40 -3.022 -4.868 -13.525 1.00 1.00 C ATOM 0 H LEU A 40 -2.178 -4.296 -9.867 1.00 1.00 H new ATOM 0 HA LEU A 40 -0.783 -1.848 -10.835 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -0.953 -2.821 -12.886 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.149 -4.287 -11.946 1.00 1.00 H new ATOM 0 HG LEU A 40 -3.742 -3.530 -11.993 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -4.262 -2.545 -14.216 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -3.248 -1.443 -13.254 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -2.522 -2.407 -14.561 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -4.009 -5.017 -13.964 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -2.271 -4.864 -14.315 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -2.810 -5.677 -12.826 1.00 1.00 H new ATOM 668 N PRO A 41 -2.752 -0.330 -11.275 1.00 1.00 N ATOM 669 CA PRO A 41 -3.854 0.673 -11.274 1.00 1.00 C ATOM 670 C PRO A 41 -5.220 0.071 -11.622 1.00 1.00 C ATOM 671 O PRO A 41 -6.176 0.210 -10.887 1.00 1.00 O ATOM 672 CB PRO A 41 -3.433 1.671 -12.355 1.00 1.00 C ATOM 673 CG PRO A 41 -1.941 1.564 -12.468 1.00 1.00 C ATOM 674 CD PRO A 41 -1.510 0.240 -11.819 1.00 1.00 C ATOM 0 HA PRO A 41 -3.985 1.111 -10.285 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -3.913 1.440 -13.306 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -3.731 2.684 -12.086 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -1.635 1.593 -13.514 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -1.460 2.406 -11.971 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -1.054 -0.429 -12.549 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -0.773 0.405 -11.033 1.00 1.00 H new ATOM 682 N GLY A 42 -5.318 -0.581 -12.745 1.00 1.00 N ATOM 683 CA GLY A 42 -6.625 -1.176 -13.153 1.00 1.00 C ATOM 684 C GLY A 42 -7.171 -2.075 -12.041 1.00 1.00 C ATOM 685 O GLY A 42 -8.298 -1.939 -11.625 1.00 1.00 O ATOM 0 H GLY A 42 -4.551 -0.729 -13.400 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.340 -0.383 -13.373 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -6.499 -1.754 -14.068 1.00 1.00 H new ATOM 689 N ARG A 43 -6.384 -2.998 -11.567 1.00 1.00 N ATOM 690 CA ARG A 43 -6.858 -3.917 -10.492 1.00 1.00 C ATOM 691 C ARG A 43 -7.213 -3.124 -9.228 1.00 1.00 C ATOM 692 O ARG A 43 -8.075 -3.516 -8.468 1.00 1.00 O ATOM 693 CB ARG A 43 -5.754 -4.923 -10.162 1.00 1.00 C ATOM 694 CG ARG A 43 -6.307 -5.998 -9.223 1.00 1.00 C ATOM 695 CD ARG A 43 -5.224 -7.041 -8.945 1.00 1.00 C ATOM 696 NE ARG A 43 -5.764 -8.080 -8.023 1.00 1.00 N ATOM 697 CZ ARG A 43 -5.153 -9.228 -7.904 1.00 1.00 C ATOM 698 NH1 ARG A 43 -4.070 -9.466 -8.592 1.00 1.00 N ATOM 699 NH2 ARG A 43 -5.627 -10.138 -7.097 1.00 1.00 N ATOM 0 H ARG A 43 -5.426 -3.158 -11.879 1.00 1.00 H new ATOM 0 HA ARG A 43 -7.747 -4.440 -10.843 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -5.380 -5.382 -11.077 1.00 1.00 H new ATOM 0 HB3 ARG A 43 -4.912 -4.414 -9.693 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -6.638 -5.544 -8.289 1.00 1.00 H new ATOM 0 HG3 ARG A 43 -7.178 -6.474 -9.672 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -4.898 -7.501 -9.878 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -4.350 -6.564 -8.502 1.00 1.00 H new ATOM 0 HE ARG A 43 -6.611 -7.894 -7.485 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -3.700 -8.755 -9.223 1.00 1.00 H new ATOM 0 HH12 ARG A 43 -3.593 -10.363 -8.499 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -6.474 -9.952 -6.560 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -5.150 -11.035 -7.004 1.00 1.00 H new ATOM 713 N VAL A 44 -6.555 -2.024 -8.989 1.00 1.00 N ATOM 714 CA VAL A 44 -6.861 -1.230 -7.762 1.00 1.00 C ATOM 715 C VAL A 44 -8.161 -0.446 -7.961 1.00 1.00 C ATOM 716 O VAL A 44 -9.100 -0.586 -7.203 1.00 1.00 O ATOM 717 CB VAL A 44 -5.716 -0.256 -7.479 1.00 1.00 C ATOM 718 CG1 VAL A 44 -6.015 0.525 -6.195 1.00 1.00 C ATOM 719 CG2 VAL A 44 -4.413 -1.040 -7.308 1.00 1.00 C ATOM 0 H VAL A 44 -5.822 -1.640 -9.586 1.00 1.00 H new ATOM 0 HA VAL A 44 -6.976 -1.910 -6.918 1.00 1.00 H new ATOM 0 HB VAL A 44 -5.616 0.440 -8.312 1.00 1.00 H new ATOM 0 HG11 VAL A 44 -5.199 1.219 -5.993 1.00 1.00 H new ATOM 0 HG12 VAL A 44 -6.944 1.082 -6.316 1.00 1.00 H new ATOM 0 HG13 VAL A 44 -6.115 -0.170 -5.361 1.00 1.00 H new ATOM 0 HG21 VAL A 44 -3.596 -0.348 -7.106 1.00 1.00 H new ATOM 0 HG22 VAL A 44 -4.514 -1.735 -6.475 1.00 1.00 H new ATOM 0 HG23 VAL A 44 -4.200 -1.596 -8.221 1.00 1.00 H new ATOM 729 N LYS A 45 -8.224 0.374 -8.972 1.00 1.00 N ATOM 730 CA LYS A 45 -9.468 1.159 -9.213 1.00 1.00 C ATOM 731 C LYS A 45 -10.604 0.200 -9.572 1.00 1.00 C ATOM 732 O LYS A 45 -11.770 0.529 -9.472 1.00 1.00 O ATOM 733 CB LYS A 45 -9.239 2.137 -10.369 1.00 1.00 C ATOM 734 CG LYS A 45 -9.051 1.356 -11.672 1.00 1.00 C ATOM 735 CD LYS A 45 -8.403 2.257 -12.724 1.00 1.00 C ATOM 736 CE LYS A 45 -9.246 3.521 -12.909 1.00 1.00 C ATOM 737 NZ LYS A 45 -8.977 4.466 -11.789 1.00 1.00 N ATOM 0 H LYS A 45 -7.471 0.535 -9.641 1.00 1.00 H new ATOM 0 HA LYS A 45 -9.730 1.718 -8.315 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -10.088 2.815 -10.459 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -8.360 2.751 -10.171 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -8.427 0.480 -11.495 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -10.014 0.994 -12.032 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -7.392 2.524 -12.416 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -8.317 1.724 -13.671 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -9.008 3.993 -13.862 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -10.305 3.264 -12.936 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -8.784 5.413 -12.173 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -9.807 4.508 -11.164 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -8.152 4.137 -11.248 1.00 1.00 H new ATOM 751 N ALA A 46 -10.266 -0.985 -9.995 1.00 1.00 N ATOM 752 CA ALA A 46 -11.306 -1.981 -10.373 1.00 1.00 C ATOM 753 C ALA A 46 -11.921 -2.588 -9.110 1.00 1.00 C ATOM 754 O ALA A 46 -13.104 -2.854 -9.048 1.00 1.00 O ATOM 755 CB ALA A 46 -10.658 -3.090 -11.207 1.00 1.00 C ATOM 0 H ALA A 46 -9.304 -1.309 -10.096 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.087 -1.491 -10.953 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -11.414 -3.823 -11.487 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -10.219 -2.659 -12.107 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -9.879 -3.578 -10.621 1.00 1.00 H new ATOM 761 N LEU A 47 -11.123 -2.815 -8.102 1.00 1.00 N ATOM 762 CA LEU A 47 -11.658 -3.410 -6.845 1.00 1.00 C ATOM 763 C LEU A 47 -12.652 -2.442 -6.197 1.00 1.00 C ATOM 764 O LEU A 47 -13.211 -2.722 -5.155 1.00 1.00 O ATOM 765 CB LEU A 47 -10.503 -3.679 -5.876 1.00 1.00 C ATOM 766 CG LEU A 47 -9.728 -4.929 -6.321 1.00 1.00 C ATOM 767 CD1 LEU A 47 -8.292 -4.857 -5.797 1.00 1.00 C ATOM 768 CD2 LEU A 47 -10.404 -6.187 -5.762 1.00 1.00 C ATOM 0 H LEU A 47 -10.123 -2.614 -8.095 1.00 1.00 H new ATOM 0 HA LEU A 47 -12.166 -4.346 -7.077 1.00 1.00 H new ATOM 0 HB2 LEU A 47 -9.835 -2.818 -5.845 1.00 1.00 H new ATOM 0 HB3 LEU A 47 -10.889 -3.820 -4.866 1.00 1.00 H new ATOM 0 HG LEU A 47 -9.721 -4.973 -7.410 1.00 1.00 H new ATOM 0 HD11 LEU A 47 -7.744 -5.745 -6.114 1.00 1.00 H new ATOM 0 HD12 LEU A 47 -7.804 -3.968 -6.195 1.00 1.00 H new ATOM 0 HD13 LEU A 47 -8.304 -4.807 -4.708 1.00 1.00 H new ATOM 0 HD21 LEU A 47 -9.850 -7.070 -6.081 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -10.416 -6.140 -4.673 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -11.427 -6.246 -6.134 1.00 1.00 H new ATOM 780 N CYS A 48 -12.875 -1.303 -6.802 1.00 1.00 N ATOM 781 CA CYS A 48 -13.832 -0.316 -6.217 1.00 1.00 C ATOM 782 C CYS A 48 -14.776 0.182 -7.314 1.00 1.00 C ATOM 783 O CYS A 48 -15.168 1.330 -7.335 1.00 1.00 O ATOM 784 CB CYS A 48 -13.048 0.867 -5.633 1.00 1.00 C ATOM 785 SG CYS A 48 -12.619 0.517 -3.911 1.00 1.00 S ATOM 0 H CYS A 48 -12.436 -1.014 -7.676 1.00 1.00 H new ATOM 0 HA CYS A 48 -14.413 -0.790 -5.426 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -12.143 1.041 -6.216 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -13.645 1.777 -5.692 1.00 1.00 H new ATOM 790 N LYS A 49 -15.140 -0.666 -8.232 1.00 1.00 N ATOM 791 CA LYS A 49 -16.051 -0.226 -9.326 1.00 1.00 C ATOM 792 C LYS A 49 -17.511 -0.408 -8.897 1.00 1.00 C ATOM 793 O LYS A 49 -17.912 -1.469 -8.463 1.00 1.00 O ATOM 794 CB LYS A 49 -15.773 -1.063 -10.578 1.00 1.00 C ATOM 795 CG LYS A 49 -16.256 -2.501 -10.356 1.00 1.00 C ATOM 796 CD LYS A 49 -15.607 -3.434 -11.384 1.00 1.00 C ATOM 797 CE LYS A 49 -16.223 -3.193 -12.764 1.00 1.00 C ATOM 798 NZ LYS A 49 -17.703 -3.356 -12.684 1.00 1.00 N ATOM 0 H LYS A 49 -14.848 -1.642 -8.274 1.00 1.00 H new ATOM 0 HA LYS A 49 -15.876 0.828 -9.542 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -16.281 -0.627 -11.439 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -14.706 -1.058 -10.801 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -16.004 -2.827 -9.347 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -17.341 -2.547 -10.444 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -14.532 -3.259 -11.420 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -15.751 -4.473 -11.088 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -15.975 -2.191 -13.114 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -15.808 -3.895 -13.487 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -18.073 -3.631 -13.616 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -17.934 -4.094 -11.989 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -18.136 -2.457 -12.391 1.00 1.00 H new ATOM 812 N ASN A 50 -18.306 0.623 -9.027 1.00 1.00 N ATOM 813 CA ASN A 50 -19.749 0.529 -8.645 1.00 1.00 C ATOM 814 C ASN A 50 -19.911 0.645 -7.125 1.00 1.00 C ATOM 815 O ASN A 50 -20.982 0.429 -6.593 1.00 1.00 O ATOM 816 CB ASN A 50 -20.325 -0.811 -9.126 1.00 1.00 C ATOM 817 CG ASN A 50 -21.808 -0.645 -9.463 1.00 1.00 C ATOM 818 OD1 ASN A 50 -22.646 -1.351 -8.938 1.00 1.00 O ATOM 819 ND2 ASN A 50 -22.170 0.266 -10.325 1.00 1.00 N ATOM 0 H ASN A 50 -18.016 1.533 -9.384 1.00 1.00 H new ATOM 0 HA ASN A 50 -20.290 1.349 -9.117 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -19.780 -1.158 -10.004 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -20.201 -1.569 -8.353 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -23.156 0.385 -10.558 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -21.467 0.859 -10.766 1.00 1.00 H new ATOM 826 N ILE A 51 -18.868 0.985 -6.416 1.00 1.00 N ATOM 827 CA ILE A 51 -18.993 1.110 -4.936 1.00 1.00 C ATOM 828 C ILE A 51 -20.084 2.128 -4.603 1.00 1.00 C ATOM 829 O ILE A 51 -20.652 2.752 -5.477 1.00 1.00 O ATOM 830 CB ILE A 51 -17.658 1.572 -4.343 1.00 1.00 C ATOM 831 CG1 ILE A 51 -16.572 0.533 -4.658 1.00 1.00 C ATOM 832 CG2 ILE A 51 -17.791 1.735 -2.825 1.00 1.00 C ATOM 833 CD1 ILE A 51 -16.604 -0.593 -3.619 1.00 1.00 C ATOM 0 H ILE A 51 -17.941 1.180 -6.795 1.00 1.00 H new ATOM 0 HA ILE A 51 -19.258 0.142 -4.511 1.00 1.00 H new ATOM 0 HB ILE A 51 -17.382 2.531 -4.781 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -16.729 0.123 -5.656 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -15.592 1.009 -4.660 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -16.838 2.064 -2.410 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -18.558 2.477 -2.605 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -18.071 0.780 -2.380 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -15.830 -1.325 -3.851 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -16.425 -0.178 -2.627 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -17.580 -1.078 -3.638 1.00 1.00 H new ATOM 845 N ARG A 52 -20.383 2.296 -3.342 1.00 1.00 N ATOM 846 CA ARG A 52 -21.442 3.268 -2.941 1.00 1.00 C ATOM 847 C ARG A 52 -20.806 4.539 -2.377 1.00 1.00 C ATOM 848 O ARG A 52 -21.008 5.625 -2.884 1.00 1.00 O ATOM 849 CB ARG A 52 -22.331 2.631 -1.870 1.00 1.00 C ATOM 850 CG ARG A 52 -23.413 3.625 -1.443 1.00 1.00 C ATOM 851 CD ARG A 52 -24.418 2.924 -0.528 1.00 1.00 C ATOM 852 NE ARG A 52 -25.366 3.928 0.031 1.00 1.00 N ATOM 853 CZ ARG A 52 -26.044 3.655 1.112 1.00 1.00 C ATOM 854 NH1 ARG A 52 -25.891 2.501 1.704 1.00 1.00 N ATOM 855 NH2 ARG A 52 -26.874 4.534 1.602 1.00 1.00 N ATOM 0 H ARG A 52 -19.938 1.800 -2.570 1.00 1.00 H new ATOM 0 HA ARG A 52 -22.038 3.526 -3.816 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -22.791 1.722 -2.258 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -21.729 2.341 -1.009 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -22.961 4.470 -0.924 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -23.921 4.025 -2.321 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -24.964 2.163 -1.086 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -23.895 2.413 0.280 1.00 1.00 H new ATOM 0 HE ARG A 52 -25.485 4.829 -0.431 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -25.242 1.814 1.321 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -26.421 2.287 2.549 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -26.993 5.436 1.140 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -27.404 4.320 2.447 1.00 1.00 H new ATOM 869 N ASP A 53 -20.052 4.414 -1.325 1.00 1.00 N ATOM 870 CA ASP A 53 -19.412 5.617 -0.715 1.00 1.00 C ATOM 871 C ASP A 53 -18.398 5.190 0.336 1.00 1.00 C ATOM 872 O ASP A 53 -17.757 4.163 0.229 1.00 1.00 O ATOM 873 CB ASP A 53 -20.492 6.484 -0.059 1.00 1.00 C ATOM 874 CG ASP A 53 -19.965 7.908 0.133 1.00 1.00 C ATOM 875 OD1 ASP A 53 -19.438 8.455 -0.822 1.00 1.00 O ATOM 876 OD2 ASP A 53 -20.097 8.425 1.229 1.00 1.00 O ATOM 0 H ASP A 53 -19.848 3.531 -0.857 1.00 1.00 H new ATOM 0 HA ASP A 53 -18.901 6.186 -1.492 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -21.387 6.498 -0.680 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -20.778 6.059 0.903 1.00 1.00 H new ATOM 881 N ASN A 54 -18.243 5.990 1.344 1.00 1.00 N ATOM 882 CA ASN A 54 -17.261 5.667 2.416 1.00 1.00 C ATOM 883 C ASN A 54 -17.694 4.388 3.134 1.00 1.00 C ATOM 884 O ASN A 54 -18.505 4.414 4.038 1.00 1.00 O ATOM 885 CB ASN A 54 -17.203 6.825 3.418 1.00 1.00 C ATOM 886 CG ASN A 54 -17.368 8.152 2.674 1.00 1.00 C ATOM 887 OD1 ASN A 54 -18.267 8.915 2.962 1.00 1.00 O ATOM 888 ND2 ASN A 54 -16.530 8.460 1.724 1.00 1.00 N ATOM 0 H ASN A 54 -18.756 6.862 1.477 1.00 1.00 H new ATOM 0 HA ASN A 54 -16.275 5.518 1.976 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -17.990 6.714 4.164 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -16.253 6.811 3.952 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -16.630 9.343 1.222 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -15.775 7.818 1.482 1.00 1.00 H new ATOM 895 N THR A 55 -17.152 3.270 2.731 1.00 1.00 N ATOM 896 CA THR A 55 -17.515 1.975 3.379 1.00 1.00 C ATOM 897 C THR A 55 -16.234 1.183 3.657 1.00 1.00 C ATOM 898 O THR A 55 -15.257 1.294 2.944 1.00 1.00 O ATOM 899 CB THR A 55 -18.431 1.173 2.439 1.00 1.00 C ATOM 900 OG1 THR A 55 -18.656 1.923 1.253 1.00 1.00 O ATOM 901 CG2 THR A 55 -19.772 0.896 3.126 1.00 1.00 C ATOM 0 H THR A 55 -16.469 3.197 1.977 1.00 1.00 H new ATOM 0 HA THR A 55 -18.040 2.161 4.316 1.00 1.00 H new ATOM 0 HB THR A 55 -17.953 0.225 2.193 1.00 1.00 H new ATOM 0 HG1 THR A 55 -19.238 1.415 0.650 1.00 1.00 H new ATOM 0 HG21 THR A 55 -20.415 0.328 2.454 1.00 1.00 H new ATOM 0 HG22 THR A 55 -19.602 0.322 4.037 1.00 1.00 H new ATOM 0 HG23 THR A 55 -20.254 1.841 3.377 1.00 1.00 H new ATOM 909 N ASP A 56 -16.232 0.390 4.693 1.00 1.00 N ATOM 910 CA ASP A 56 -15.014 -0.402 5.024 1.00 1.00 C ATOM 911 C ASP A 56 -15.041 -1.728 4.265 1.00 1.00 C ATOM 912 O ASP A 56 -15.887 -2.570 4.493 1.00 1.00 O ATOM 913 CB ASP A 56 -14.979 -0.681 6.528 1.00 1.00 C ATOM 914 CG ASP A 56 -15.204 0.624 7.295 1.00 1.00 C ATOM 915 OD1 ASP A 56 -15.540 1.611 6.661 1.00 1.00 O ATOM 916 OD2 ASP A 56 -15.032 0.614 8.503 1.00 1.00 O ATOM 0 H ASP A 56 -17.022 0.256 5.325 1.00 1.00 H new ATOM 0 HA ASP A 56 -14.128 0.164 4.736 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -15.748 -1.407 6.792 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -14.019 -1.117 6.805 1.00 1.00 H new ATOM 921 N VAL A 57 -14.112 -1.921 3.367 1.00 1.00 N ATOM 922 CA VAL A 57 -14.062 -3.190 2.589 1.00 1.00 C ATOM 923 C VAL A 57 -12.842 -4.001 3.032 1.00 1.00 C ATOM 924 O VAL A 57 -12.092 -3.587 3.894 1.00 1.00 O ATOM 925 CB VAL A 57 -13.962 -2.869 1.095 1.00 1.00 C ATOM 926 CG1 VAL A 57 -15.280 -2.254 0.623 1.00 1.00 C ATOM 927 CG2 VAL A 57 -12.825 -1.873 0.860 1.00 1.00 C ATOM 0 H VAL A 57 -13.381 -1.248 3.138 1.00 1.00 H new ATOM 0 HA VAL A 57 -14.967 -3.771 2.768 1.00 1.00 H new ATOM 0 HB VAL A 57 -13.762 -3.784 0.538 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -15.214 -2.024 -0.440 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -16.092 -2.961 0.791 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -15.475 -1.338 1.181 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -12.755 -1.645 -0.204 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -13.024 -0.956 1.415 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -11.885 -2.307 1.201 1.00 1.00 H new ATOM 937 N LEU A 58 -12.646 -5.160 2.469 1.00 1.00 N ATOM 938 CA LEU A 58 -11.485 -5.999 2.882 1.00 1.00 C ATOM 939 C LEU A 58 -11.201 -7.041 1.797 1.00 1.00 C ATOM 940 O LEU A 58 -12.110 -7.581 1.199 1.00 1.00 O ATOM 941 CB LEU A 58 -11.846 -6.684 4.209 1.00 1.00 C ATOM 942 CG LEU A 58 -10.857 -7.801 4.551 1.00 1.00 C ATOM 943 CD1 LEU A 58 -9.438 -7.246 4.614 1.00 1.00 C ATOM 944 CD2 LEU A 58 -11.217 -8.372 5.918 1.00 1.00 C ATOM 0 H LEU A 58 -13.238 -5.563 1.742 1.00 1.00 H new ATOM 0 HA LEU A 58 -10.591 -5.390 3.014 1.00 1.00 H new ATOM 0 HB2 LEU A 58 -11.854 -5.945 5.011 1.00 1.00 H new ATOM 0 HB3 LEU A 58 -12.853 -7.095 4.145 1.00 1.00 H new ATOM 0 HG LEU A 58 -10.909 -8.573 3.784 1.00 1.00 H new ATOM 0 HD11 LEU A 58 -8.743 -8.050 4.858 1.00 1.00 H new ATOM 0 HD12 LEU A 58 -9.172 -6.817 3.648 1.00 1.00 H new ATOM 0 HD13 LEU A 58 -9.383 -6.474 5.381 1.00 1.00 H new ATOM 0 HD21 LEU A 58 -10.520 -9.170 6.174 1.00 1.00 H new ATOM 0 HD22 LEU A 58 -11.158 -7.584 6.668 1.00 1.00 H new ATOM 0 HD23 LEU A 58 -12.231 -8.772 5.890 1.00 1.00 H new ATOM 956 N SER A 59 -9.952 -7.326 1.524 1.00 1.00 N ATOM 957 CA SER A 59 -9.651 -8.330 0.465 1.00 1.00 C ATOM 958 C SER A 59 -10.389 -9.634 0.777 1.00 1.00 C ATOM 959 O SER A 59 -10.657 -9.950 1.918 1.00 1.00 O ATOM 960 CB SER A 59 -8.142 -8.581 0.401 1.00 1.00 C ATOM 961 OG SER A 59 -7.906 -9.916 -0.023 1.00 1.00 O ATOM 0 H SER A 59 -9.140 -6.912 1.983 1.00 1.00 H new ATOM 0 HA SER A 59 -9.985 -7.951 -0.501 1.00 1.00 H new ATOM 0 HB2 SER A 59 -7.674 -7.880 -0.290 1.00 1.00 H new ATOM 0 HB3 SER A 59 -7.692 -8.413 1.379 1.00 1.00 H new ATOM 0 HG SER A 59 -7.248 -9.917 -0.749 1.00 1.00 H new ATOM 967 N ARG A 60 -10.745 -10.380 -0.233 1.00 1.00 N ATOM 968 CA ARG A 60 -11.490 -11.652 0.001 1.00 1.00 C ATOM 969 C ARG A 60 -10.509 -12.814 0.167 1.00 1.00 C ATOM 970 O ARG A 60 -10.893 -13.966 0.147 1.00 1.00 O ATOM 971 CB ARG A 60 -12.406 -11.931 -1.195 1.00 1.00 C ATOM 972 CG ARG A 60 -13.225 -10.679 -1.524 1.00 1.00 C ATOM 973 CD ARG A 60 -14.191 -10.375 -0.376 1.00 1.00 C ATOM 974 NE ARG A 60 -15.254 -9.446 -0.853 1.00 1.00 N ATOM 975 CZ ARG A 60 -16.170 -9.870 -1.681 1.00 1.00 C ATOM 976 NH1 ARG A 60 -16.156 -11.109 -2.091 1.00 1.00 N ATOM 977 NH2 ARG A 60 -17.100 -9.055 -2.097 1.00 1.00 N ATOM 0 H ARG A 60 -10.552 -10.164 -1.211 1.00 1.00 H new ATOM 0 HA ARG A 60 -12.085 -11.554 0.909 1.00 1.00 H new ATOM 0 HB2 ARG A 60 -11.811 -12.225 -2.060 1.00 1.00 H new ATOM 0 HB3 ARG A 60 -13.072 -12.763 -0.968 1.00 1.00 H new ATOM 0 HG2 ARG A 60 -12.560 -9.831 -1.686 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -13.781 -10.830 -2.449 1.00 1.00 H new ATOM 0 HD2 ARG A 60 -14.638 -11.299 -0.009 1.00 1.00 H new ATOM 0 HD3 ARG A 60 -13.651 -9.929 0.459 1.00 1.00 H new ATOM 0 HE ARG A 60 -15.266 -8.478 -0.532 1.00 1.00 H new ATOM 0 HH11 ARG A 60 -15.429 -11.746 -1.764 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -16.872 -11.440 -2.738 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -17.111 -8.087 -1.775 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -17.816 -9.386 -2.744 1.00 1.00 H new ATOM 991 N ASP A 61 -9.248 -12.528 0.332 1.00 1.00 N ATOM 992 CA ASP A 61 -8.259 -13.630 0.500 1.00 1.00 C ATOM 993 C ASP A 61 -6.931 -13.060 0.991 1.00 1.00 C ATOM 994 O ASP A 61 -6.700 -12.940 2.178 1.00 1.00 O ATOM 995 CB ASP A 61 -8.047 -14.336 -0.841 1.00 1.00 C ATOM 996 CG ASP A 61 -6.982 -15.422 -0.683 1.00 1.00 C ATOM 997 OD1 ASP A 61 -7.210 -16.342 0.085 1.00 1.00 O ATOM 998 OD2 ASP A 61 -5.955 -15.315 -1.334 1.00 1.00 O ATOM 0 H ASP A 61 -8.860 -11.585 0.358 1.00 1.00 H new ATOM 0 HA ASP A 61 -8.637 -14.344 1.231 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -8.983 -14.777 -1.184 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -7.738 -13.616 -1.598 1.00 1.00 H new ATOM 1003 N ALA A 62 -6.050 -12.714 0.094 1.00 1.00 N ATOM 1004 CA ALA A 62 -4.740 -12.161 0.532 1.00 1.00 C ATOM 1005 C ALA A 62 -4.141 -11.291 -0.573 1.00 1.00 C ATOM 1006 O ALA A 62 -4.620 -11.264 -1.690 1.00 1.00 O ATOM 1007 CB ALA A 62 -3.784 -13.312 0.848 1.00 1.00 C ATOM 0 H ALA A 62 -6.179 -12.790 -0.915 1.00 1.00 H new ATOM 0 HA ALA A 62 -4.890 -11.551 1.423 1.00 1.00 H new ATOM 0 HB1 ALA A 62 -2.823 -12.909 1.169 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -4.205 -13.926 1.644 1.00 1.00 H new ATOM 0 HB3 ALA A 62 -3.642 -13.922 -0.044 1.00 1.00 H new ATOM 1013 N PHE A 63 -3.090 -10.579 -0.265 1.00 1.00 N ATOM 1014 CA PHE A 63 -2.445 -9.706 -1.284 1.00 1.00 C ATOM 1015 C PHE A 63 -0.964 -9.549 -0.933 1.00 1.00 C ATOM 1016 O PHE A 63 -0.605 -9.352 0.211 1.00 1.00 O ATOM 1017 CB PHE A 63 -3.125 -8.331 -1.290 1.00 1.00 C ATOM 1018 CG PHE A 63 -4.322 -8.359 -2.214 1.00 1.00 C ATOM 1019 CD1 PHE A 63 -5.557 -8.822 -1.747 1.00 1.00 C ATOM 1020 CD2 PHE A 63 -4.193 -7.922 -3.538 1.00 1.00 C ATOM 1021 CE1 PHE A 63 -6.665 -8.847 -2.603 1.00 1.00 C ATOM 1022 CE2 PHE A 63 -5.301 -7.947 -4.394 1.00 1.00 C ATOM 1023 CZ PHE A 63 -6.536 -8.410 -3.927 1.00 1.00 C ATOM 0 H PHE A 63 -2.649 -10.566 0.655 1.00 1.00 H new ATOM 0 HA PHE A 63 -2.544 -10.154 -2.273 1.00 1.00 H new ATOM 0 HB2 PHE A 63 -3.439 -8.065 -0.281 1.00 1.00 H new ATOM 0 HB3 PHE A 63 -2.419 -7.567 -1.616 1.00 1.00 H new ATOM 0 HD1 PHE A 63 -5.656 -9.160 -0.726 1.00 1.00 H new ATOM 0 HD2 PHE A 63 -3.239 -7.566 -3.899 1.00 1.00 H new ATOM 0 HE1 PHE A 63 -7.619 -9.203 -2.242 1.00 1.00 H new ATOM 0 HE2 PHE A 63 -5.202 -7.609 -5.415 1.00 1.00 H new ATOM 0 HZ PHE A 63 -7.390 -8.430 -4.588 1.00 1.00 H new ATOM 1033 N LEU A 64 -0.103 -9.639 -1.907 1.00 1.00 N ATOM 1034 CA LEU A 64 1.356 -9.501 -1.634 1.00 1.00 C ATOM 1035 C LEU A 64 1.710 -8.022 -1.487 1.00 1.00 C ATOM 1036 O LEU A 64 1.613 -7.261 -2.426 1.00 1.00 O ATOM 1037 CB LEU A 64 2.143 -10.096 -2.808 1.00 1.00 C ATOM 1038 CG LEU A 64 3.592 -10.388 -2.387 1.00 1.00 C ATOM 1039 CD1 LEU A 64 4.197 -11.422 -3.338 1.00 1.00 C ATOM 1040 CD2 LEU A 64 4.426 -9.103 -2.445 1.00 1.00 C ATOM 0 H LEU A 64 -0.347 -9.803 -2.884 1.00 1.00 H new ATOM 0 HA LEU A 64 1.608 -10.027 -0.714 1.00 1.00 H new ATOM 0 HB2 LEU A 64 1.664 -11.014 -3.147 1.00 1.00 H new ATOM 0 HB3 LEU A 64 2.134 -9.402 -3.649 1.00 1.00 H new ATOM 0 HG LEU A 64 3.596 -10.773 -1.367 1.00 1.00 H new ATOM 0 HD11 LEU A 64 5.225 -11.631 -3.042 1.00 1.00 H new ATOM 0 HD12 LEU A 64 3.613 -12.341 -3.295 1.00 1.00 H new ATOM 0 HD13 LEU A 64 4.185 -11.031 -4.356 1.00 1.00 H new ATOM 0 HD21 LEU A 64 5.451 -9.321 -2.145 1.00 1.00 H new ATOM 0 HD22 LEU A 64 4.421 -8.712 -3.462 1.00 1.00 H new ATOM 0 HD23 LEU A 64 4.000 -8.362 -1.769 1.00 1.00 H new ATOM 1052 N LEU A 65 2.127 -7.604 -0.320 1.00 1.00 N ATOM 1053 CA LEU A 65 2.494 -6.169 -0.134 1.00 1.00 C ATOM 1054 C LEU A 65 3.954 -6.059 0.323 1.00 1.00 C ATOM 1055 O LEU A 65 4.374 -6.752 1.227 1.00 1.00 O ATOM 1056 CB LEU A 65 1.608 -5.507 0.936 1.00 1.00 C ATOM 1057 CG LEU A 65 0.647 -6.509 1.567 1.00 1.00 C ATOM 1058 CD1 LEU A 65 0.225 -5.972 2.935 1.00 1.00 C ATOM 1059 CD2 LEU A 65 -0.585 -6.654 0.669 1.00 1.00 C ATOM 0 H LEU A 65 2.229 -8.191 0.508 1.00 1.00 H new ATOM 0 HA LEU A 65 2.351 -5.664 -1.089 1.00 1.00 H new ATOM 0 HB2 LEU A 65 2.238 -5.069 1.710 1.00 1.00 H new ATOM 0 HB3 LEU A 65 1.041 -4.692 0.486 1.00 1.00 H new ATOM 0 HG LEU A 65 1.126 -7.481 1.679 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -0.464 -6.674 3.405 1.00 1.00 H new ATOM 0 HD12 LEU A 65 1.106 -5.850 3.566 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -0.268 -5.008 2.811 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -1.277 -7.369 1.114 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -1.078 -5.687 0.568 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -0.278 -7.009 -0.315 1.00 1.00 H new ATOM 1071 N PRO A 66 4.709 -5.159 -0.256 1.00 1.00 N ATOM 1072 CA PRO A 66 6.120 -4.933 0.152 1.00 1.00 C ATOM 1073 C PRO A 66 6.159 -4.174 1.482 1.00 1.00 C ATOM 1074 O PRO A 66 5.251 -3.431 1.797 1.00 1.00 O ATOM 1075 CB PRO A 66 6.704 -4.087 -0.982 1.00 1.00 C ATOM 1076 CG PRO A 66 5.535 -3.385 -1.595 1.00 1.00 C ATOM 1077 CD PRO A 66 4.310 -4.270 -1.360 1.00 1.00 C ATOM 0 HA PRO A 66 6.679 -5.856 0.304 1.00 1.00 H new ATOM 0 HB2 PRO A 66 7.436 -3.374 -0.603 1.00 1.00 H new ATOM 0 HB3 PRO A 66 7.216 -4.711 -1.714 1.00 1.00 H new ATOM 0 HG2 PRO A 66 5.394 -2.403 -1.143 1.00 1.00 H new ATOM 0 HG3 PRO A 66 5.697 -3.225 -2.661 1.00 1.00 H new ATOM 0 HD2 PRO A 66 3.435 -3.676 -1.096 1.00 1.00 H new ATOM 0 HD3 PRO A 66 4.052 -4.837 -2.254 1.00 1.00 H new ATOM 1085 N GLN A 67 7.176 -4.360 2.280 1.00 1.00 N ATOM 1086 CA GLN A 67 7.217 -3.643 3.588 1.00 1.00 C ATOM 1087 C GLN A 67 8.659 -3.293 3.955 1.00 1.00 C ATOM 1088 O GLN A 67 9.540 -4.129 3.926 1.00 1.00 O ATOM 1089 CB GLN A 67 6.624 -4.537 4.679 1.00 1.00 C ATOM 1090 CG GLN A 67 5.287 -5.111 4.206 1.00 1.00 C ATOM 1091 CD GLN A 67 4.616 -5.861 5.357 1.00 1.00 C ATOM 1092 OE1 GLN A 67 4.563 -5.372 6.468 1.00 1.00 O ATOM 1093 NE2 GLN A 67 4.097 -7.038 5.137 1.00 1.00 N ATOM 0 H GLN A 67 7.971 -4.969 2.087 1.00 1.00 H new ATOM 0 HA GLN A 67 6.636 -2.724 3.504 1.00 1.00 H new ATOM 0 HB2 GLN A 67 7.315 -5.346 4.915 1.00 1.00 H new ATOM 0 HB3 GLN A 67 6.481 -3.963 5.595 1.00 1.00 H new ATOM 0 HG2 GLN A 67 4.639 -4.308 3.855 1.00 1.00 H new ATOM 0 HG3 GLN A 67 5.446 -5.784 3.364 1.00 1.00 H new ATOM 0 HE21 GLN A 67 4.141 -7.449 4.204 1.00 1.00 H new ATOM 0 HE22 GLN A 67 3.647 -7.547 5.898 1.00 1.00 H new ATOM 1102 N CYS A 68 8.899 -2.061 4.312 1.00 1.00 N ATOM 1103 CA CYS A 68 10.280 -1.650 4.699 1.00 1.00 C ATOM 1104 C CYS A 68 10.444 -1.800 6.213 1.00 1.00 C ATOM 1105 O CYS A 68 9.584 -1.408 6.977 1.00 1.00 O ATOM 1106 CB CYS A 68 10.498 -0.189 4.312 1.00 1.00 C ATOM 1107 SG CYS A 68 9.962 0.066 2.603 1.00 1.00 S ATOM 0 H CYS A 68 8.199 -1.320 4.353 1.00 1.00 H new ATOM 0 HA CYS A 68 11.008 -2.278 4.186 1.00 1.00 H new ATOM 0 HB2 CYS A 68 9.938 0.464 4.982 1.00 1.00 H new ATOM 0 HB3 CYS A 68 11.551 0.074 4.418 1.00 1.00 H new ATOM 1112 N ASP A 69 11.536 -2.368 6.654 1.00 1.00 N ATOM 1113 CA ASP A 69 11.746 -2.545 8.125 1.00 1.00 C ATOM 1114 C ASP A 69 13.139 -2.044 8.519 1.00 1.00 C ATOM 1115 O ASP A 69 14.140 -2.664 8.219 1.00 1.00 O ATOM 1116 CB ASP A 69 11.621 -4.027 8.480 1.00 1.00 C ATOM 1117 CG ASP A 69 11.464 -4.181 9.994 1.00 1.00 C ATOM 1118 OD1 ASP A 69 11.521 -3.174 10.681 1.00 1.00 O ATOM 1119 OD2 ASP A 69 11.292 -5.302 10.442 1.00 1.00 O ATOM 0 H ASP A 69 12.290 -2.717 6.063 1.00 1.00 H new ATOM 0 HA ASP A 69 10.993 -1.971 8.666 1.00 1.00 H new ATOM 0 HB2 ASP A 69 10.762 -4.462 7.969 1.00 1.00 H new ATOM 0 HB3 ASP A 69 12.503 -4.569 8.139 1.00 1.00 H new ATOM 1124 N ARG A 70 13.209 -0.931 9.202 1.00 1.00 N ATOM 1125 CA ARG A 70 14.535 -0.397 9.626 1.00 1.00 C ATOM 1126 C ARG A 70 15.024 -1.180 10.847 1.00 1.00 C ATOM 1127 O ARG A 70 14.245 -1.787 11.555 1.00 1.00 O ATOM 1128 CB ARG A 70 14.392 1.083 9.989 1.00 1.00 C ATOM 1129 CG ARG A 70 15.732 1.624 10.492 1.00 1.00 C ATOM 1130 CD ARG A 70 15.642 3.142 10.651 1.00 1.00 C ATOM 1131 NE ARG A 70 16.859 3.641 11.351 1.00 1.00 N ATOM 1132 CZ ARG A 70 16.835 4.794 11.962 1.00 1.00 C ATOM 1133 NH1 ARG A 70 15.744 5.511 11.960 1.00 1.00 N ATOM 1134 NH2 ARG A 70 17.900 5.230 12.576 1.00 1.00 N ATOM 0 H ARG A 70 12.405 -0.370 9.484 1.00 1.00 H new ATOM 0 HA ARG A 70 15.253 -0.502 8.813 1.00 1.00 H new ATOM 0 HB2 ARG A 70 14.064 1.651 9.118 1.00 1.00 H new ATOM 0 HB3 ARG A 70 13.628 1.207 10.757 1.00 1.00 H new ATOM 0 HG2 ARG A 70 15.988 1.162 11.446 1.00 1.00 H new ATOM 0 HG3 ARG A 70 16.526 1.368 9.791 1.00 1.00 H new ATOM 0 HD2 ARG A 70 15.552 3.616 9.674 1.00 1.00 H new ATOM 0 HD3 ARG A 70 14.749 3.407 11.218 1.00 1.00 H new ATOM 0 HE ARG A 70 17.712 3.081 11.353 1.00 1.00 H new ATOM 0 HH11 ARG A 70 14.911 5.170 11.481 1.00 1.00 H new ATOM 0 HH12 ARG A 70 15.725 6.412 12.437 1.00 1.00 H new ATOM 0 HH21 ARG A 70 18.752 4.670 12.579 1.00 1.00 H new ATOM 0 HH22 ARG A 70 17.880 6.131 13.053 1.00 1.00 H new ATOM 1148 N ILE A 71 16.305 -1.175 11.102 1.00 1.00 N ATOM 1149 CA ILE A 71 16.823 -1.928 12.279 1.00 1.00 C ATOM 1150 C ILE A 71 18.306 -1.610 12.495 1.00 1.00 C ATOM 1151 O ILE A 71 18.800 -1.649 13.604 1.00 1.00 O ATOM 1152 CB ILE A 71 16.658 -3.429 12.036 1.00 1.00 C ATOM 1153 CG1 ILE A 71 17.269 -4.205 13.204 1.00 1.00 C ATOM 1154 CG2 ILE A 71 17.370 -3.817 10.739 1.00 1.00 C ATOM 1155 CD1 ILE A 71 16.858 -5.676 13.109 1.00 1.00 C ATOM 0 H ILE A 71 17.010 -0.686 10.550 1.00 1.00 H new ATOM 0 HA ILE A 71 16.261 -1.633 13.165 1.00 1.00 H new ATOM 0 HB ILE A 71 15.598 -3.669 11.955 1.00 1.00 H new ATOM 0 HG12 ILE A 71 18.355 -4.118 13.184 1.00 1.00 H new ATOM 0 HG13 ILE A 71 16.933 -3.783 14.151 1.00 1.00 H new ATOM 0 HG21 ILE A 71 17.253 -4.887 10.565 1.00 1.00 H new ATOM 0 HG22 ILE A 71 16.935 -3.264 9.906 1.00 1.00 H new ATOM 0 HG23 ILE A 71 18.430 -3.577 10.820 1.00 1.00 H new ATOM 0 HD11 ILE A 71 17.293 -6.230 13.941 1.00 1.00 H new ATOM 0 HD12 ILE A 71 15.772 -5.754 13.150 1.00 1.00 H new ATOM 0 HD13 ILE A 71 17.216 -6.094 12.168 1.00 1.00 H new ATOM 1167 N LYS A 72 19.025 -1.304 11.447 1.00 1.00 N ATOM 1168 CA LYS A 72 20.477 -0.996 11.604 1.00 1.00 C ATOM 1169 C LYS A 72 20.887 0.089 10.600 1.00 1.00 C ATOM 1170 O LYS A 72 20.107 0.502 9.766 1.00 1.00 O ATOM 1171 CB LYS A 72 21.289 -2.276 11.363 1.00 1.00 C ATOM 1172 CG LYS A 72 22.611 -2.210 12.136 1.00 1.00 C ATOM 1173 CD LYS A 72 23.382 -3.517 11.942 1.00 1.00 C ATOM 1174 CE LYS A 72 24.570 -3.557 12.905 1.00 1.00 C ATOM 1175 NZ LYS A 72 25.368 -4.792 12.659 1.00 1.00 N ATOM 0 H LYS A 72 18.671 -1.254 10.492 1.00 1.00 H new ATOM 0 HA LYS A 72 20.671 -0.630 12.612 1.00 1.00 H new ATOM 0 HB2 LYS A 72 20.715 -3.146 11.681 1.00 1.00 H new ATOM 0 HB3 LYS A 72 21.486 -2.396 10.298 1.00 1.00 H new ATOM 0 HG2 LYS A 72 23.208 -1.368 11.785 1.00 1.00 H new ATOM 0 HG3 LYS A 72 22.417 -2.044 13.196 1.00 1.00 H new ATOM 0 HD2 LYS A 72 22.726 -4.369 12.122 1.00 1.00 H new ATOM 0 HD3 LYS A 72 23.732 -3.596 10.913 1.00 1.00 H new ATOM 0 HE2 LYS A 72 25.194 -2.674 12.766 1.00 1.00 H new ATOM 0 HE3 LYS A 72 24.217 -3.539 13.936 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 26.176 -4.820 13.314 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 24.769 -5.628 12.812 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 25.716 -4.791 11.679 1.00 1.00 H new ATOM 1189 N LEU A 73 22.104 0.561 10.686 1.00 1.00 N ATOM 1190 CA LEU A 73 22.573 1.630 9.754 1.00 1.00 C ATOM 1191 C LEU A 73 21.712 2.885 9.971 1.00 1.00 C ATOM 1192 O LEU A 73 20.764 2.856 10.731 1.00 1.00 O ATOM 1193 CB LEU A 73 22.442 1.140 8.304 1.00 1.00 C ATOM 1194 CG LEU A 73 22.917 -0.312 8.200 1.00 1.00 C ATOM 1195 CD1 LEU A 73 23.005 -0.715 6.726 1.00 1.00 C ATOM 1196 CD2 LEU A 73 24.300 -0.447 8.843 1.00 1.00 C ATOM 0 H LEU A 73 22.797 0.250 11.366 1.00 1.00 H new ATOM 0 HA LEU A 73 23.619 1.868 9.949 1.00 1.00 H new ATOM 0 HB2 LEU A 73 21.405 1.217 7.977 1.00 1.00 H new ATOM 0 HB3 LEU A 73 23.033 1.773 7.642 1.00 1.00 H new ATOM 0 HG LEU A 73 22.210 -0.961 8.717 1.00 1.00 H new ATOM 0 HD11 LEU A 73 23.343 -1.749 6.651 1.00 1.00 H new ATOM 0 HD12 LEU A 73 22.023 -0.620 6.264 1.00 1.00 H new ATOM 0 HD13 LEU A 73 23.712 -0.064 6.212 1.00 1.00 H new ATOM 0 HD21 LEU A 73 24.637 -1.481 8.768 1.00 1.00 H new ATOM 0 HD22 LEU A 73 25.006 0.203 8.327 1.00 1.00 H new ATOM 0 HD23 LEU A 73 24.243 -0.159 9.893 1.00 1.00 H new ATOM 1208 N PRO A 74 22.029 3.983 9.322 1.00 1.00 N ATOM 1209 CA PRO A 74 21.261 5.250 9.471 1.00 1.00 C ATOM 1210 C PRO A 74 19.978 5.269 8.629 1.00 1.00 C ATOM 1211 O PRO A 74 18.884 5.310 9.155 1.00 1.00 O ATOM 1212 CB PRO A 74 22.234 6.345 8.990 1.00 1.00 C ATOM 1213 CG PRO A 74 23.481 5.643 8.525 1.00 1.00 C ATOM 1214 CD PRO A 74 23.142 4.160 8.388 1.00 1.00 C ATOM 0 HA PRO A 74 20.928 5.387 10.500 1.00 1.00 H new ATOM 0 HB2 PRO A 74 21.793 6.926 8.180 1.00 1.00 H new ATOM 0 HB3 PRO A 74 22.461 7.043 9.796 1.00 1.00 H new ATOM 0 HG2 PRO A 74 23.818 6.050 7.572 1.00 1.00 H new ATOM 0 HG3 PRO A 74 24.292 5.788 9.238 1.00 1.00 H new ATOM 0 HD2 PRO A 74 22.856 3.905 7.368 1.00 1.00 H new ATOM 0 HD3 PRO A 74 23.991 3.527 8.648 1.00 1.00 H new ATOM 1222 N CYS A 75 20.106 5.257 7.327 1.00 1.00 N ATOM 1223 CA CYS A 75 18.897 5.294 6.450 1.00 1.00 C ATOM 1224 C CYS A 75 18.821 4.025 5.597 1.00 1.00 C ATOM 1225 O CYS A 75 18.760 4.086 4.385 1.00 1.00 O ATOM 1226 CB CYS A 75 18.981 6.516 5.532 1.00 1.00 C ATOM 1227 SG CYS A 75 17.348 6.861 4.833 1.00 1.00 S ATOM 0 H CYS A 75 20.997 5.223 6.832 1.00 1.00 H new ATOM 0 HA CYS A 75 18.005 5.355 7.074 1.00 1.00 H new ATOM 0 HB2 CYS A 75 19.338 7.380 6.092 1.00 1.00 H new ATOM 0 HB3 CYS A 75 19.699 6.335 4.733 1.00 1.00 H new ATOM 1232 N HIS A 76 18.809 2.878 6.223 1.00 1.00 N ATOM 1233 CA HIS A 76 18.721 1.599 5.453 1.00 1.00 C ATOM 1234 C HIS A 76 17.502 0.812 5.939 1.00 1.00 C ATOM 1235 O HIS A 76 17.078 0.948 7.070 1.00 1.00 O ATOM 1236 CB HIS A 76 19.990 0.770 5.681 1.00 1.00 C ATOM 1237 CG HIS A 76 20.174 -0.195 4.540 1.00 1.00 C ATOM 1238 ND1 HIS A 76 19.797 -1.527 4.628 1.00 1.00 N ATOM 1239 CD2 HIS A 76 20.693 -0.034 3.278 1.00 1.00 C ATOM 1240 CE1 HIS A 76 20.091 -2.111 3.451 1.00 1.00 C ATOM 1241 NE2 HIS A 76 20.637 -1.245 2.597 1.00 1.00 N ATOM 0 H HIS A 76 18.856 2.770 7.236 1.00 1.00 H new ATOM 0 HA HIS A 76 18.623 1.816 4.389 1.00 1.00 H new ATOM 0 HB2 HIS A 76 20.857 1.427 5.759 1.00 1.00 H new ATOM 0 HB3 HIS A 76 19.917 0.226 6.623 1.00 1.00 H new ATOM 0 HD2 HIS A 76 21.084 0.890 2.877 1.00 1.00 H new ATOM 0 HE1 HIS A 76 19.907 -3.151 3.227 1.00 1.00 H new ATOM 0 HE2 HIS A 76 20.948 -1.432 1.644 1.00 1.00 H new ATOM 1250 N TYR A 77 16.930 -0.005 5.096 1.00 1.00 N ATOM 1251 CA TYR A 77 15.734 -0.796 5.514 1.00 1.00 C ATOM 1252 C TYR A 77 15.860 -2.233 5.009 1.00 1.00 C ATOM 1253 O TYR A 77 16.681 -2.537 4.165 1.00 1.00 O ATOM 1254 CB TYR A 77 14.473 -0.161 4.923 1.00 1.00 C ATOM 1255 CG TYR A 77 14.582 1.342 4.991 1.00 1.00 C ATOM 1256 CD1 TYR A 77 15.225 2.047 3.966 1.00 1.00 C ATOM 1257 CD2 TYR A 77 14.038 2.033 6.080 1.00 1.00 C ATOM 1258 CE1 TYR A 77 15.324 3.442 4.031 1.00 1.00 C ATOM 1259 CE2 TYR A 77 14.135 3.427 6.145 1.00 1.00 C ATOM 1260 CZ TYR A 77 14.779 4.132 5.121 1.00 1.00 C ATOM 1261 OH TYR A 77 14.875 5.507 5.185 1.00 1.00 O ATOM 0 H TYR A 77 17.238 -0.160 4.136 1.00 1.00 H new ATOM 0 HA TYR A 77 15.669 -0.801 6.602 1.00 1.00 H new ATOM 0 HB2 TYR A 77 14.344 -0.480 3.889 1.00 1.00 H new ATOM 0 HB3 TYR A 77 13.593 -0.497 5.472 1.00 1.00 H new ATOM 0 HD1 TYR A 77 15.645 1.515 3.125 1.00 1.00 H new ATOM 0 HD2 TYR A 77 13.543 1.489 6.871 1.00 1.00 H new ATOM 0 HE1 TYR A 77 15.820 3.986 3.241 1.00 1.00 H new ATOM 0 HE2 TYR A 77 13.713 3.959 6.985 1.00 1.00 H new ATOM 0 HH TYR A 77 15.689 5.756 5.671 1.00 1.00 H new ATOM 1271 N LYS A 78 15.044 -3.118 5.518 1.00 1.00 N ATOM 1272 CA LYS A 78 15.095 -4.540 5.073 1.00 1.00 C ATOM 1273 C LYS A 78 13.877 -4.827 4.194 1.00 1.00 C ATOM 1274 O LYS A 78 12.801 -4.308 4.421 1.00 1.00 O ATOM 1275 CB LYS A 78 15.071 -5.461 6.297 1.00 1.00 C ATOM 1276 CG LYS A 78 15.493 -6.879 5.890 1.00 1.00 C ATOM 1277 CD LYS A 78 17.019 -7.008 5.950 1.00 1.00 C ATOM 1278 CE LYS A 78 17.423 -8.444 5.614 1.00 1.00 C ATOM 1279 NZ LYS A 78 18.901 -8.586 5.743 1.00 1.00 N ATOM 0 H LYS A 78 14.340 -2.914 6.228 1.00 1.00 H new ATOM 0 HA LYS A 78 16.010 -4.718 4.508 1.00 1.00 H new ATOM 0 HB2 LYS A 78 15.743 -5.078 7.065 1.00 1.00 H new ATOM 0 HB3 LYS A 78 14.071 -5.480 6.730 1.00 1.00 H new ATOM 0 HG2 LYS A 78 15.031 -7.610 6.554 1.00 1.00 H new ATOM 0 HG3 LYS A 78 15.140 -7.097 4.882 1.00 1.00 H new ATOM 0 HD2 LYS A 78 17.481 -6.315 5.247 1.00 1.00 H new ATOM 0 HD3 LYS A 78 17.378 -6.741 6.944 1.00 1.00 H new ATOM 0 HE2 LYS A 78 16.920 -9.141 6.284 1.00 1.00 H new ATOM 0 HE3 LYS A 78 17.110 -8.694 4.600 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 19.177 -9.562 5.515 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 19.371 -7.931 5.087 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 19.187 -8.364 6.718 1.00 1.00 H new ATOM 1293 N LEU A 79 14.040 -5.645 3.188 1.00 1.00 N ATOM 1294 CA LEU A 79 12.895 -5.961 2.287 1.00 1.00 C ATOM 1295 C LEU A 79 12.100 -7.138 2.861 1.00 1.00 C ATOM 1296 O LEU A 79 12.615 -8.228 3.023 1.00 1.00 O ATOM 1297 CB LEU A 79 13.436 -6.329 0.898 1.00 1.00 C ATOM 1298 CG LEU A 79 12.400 -5.998 -0.187 1.00 1.00 C ATOM 1299 CD1 LEU A 79 11.063 -6.661 0.154 1.00 1.00 C ATOM 1300 CD2 LEU A 79 12.209 -4.475 -0.291 1.00 1.00 C ATOM 0 H LEU A 79 14.918 -6.108 2.952 1.00 1.00 H new ATOM 0 HA LEU A 79 12.240 -5.094 2.206 1.00 1.00 H new ATOM 0 HB2 LEU A 79 14.360 -5.784 0.705 1.00 1.00 H new ATOM 0 HB3 LEU A 79 13.679 -7.391 0.865 1.00 1.00 H new ATOM 0 HG LEU A 79 12.759 -6.377 -1.144 1.00 1.00 H new ATOM 0 HD11 LEU A 79 10.332 -6.423 -0.618 1.00 1.00 H new ATOM 0 HD12 LEU A 79 11.196 -7.742 0.208 1.00 1.00 H new ATOM 0 HD13 LEU A 79 10.708 -6.291 1.116 1.00 1.00 H new ATOM 0 HD21 LEU A 79 11.473 -4.253 -1.063 1.00 1.00 H new ATOM 0 HD22 LEU A 79 11.861 -4.086 0.666 1.00 1.00 H new ATOM 0 HD23 LEU A 79 13.158 -4.006 -0.549 1.00 1.00 H new ATOM 1312 N SER A 80 10.848 -6.927 3.164 1.00 1.00 N ATOM 1313 CA SER A 80 10.010 -8.029 3.720 1.00 1.00 C ATOM 1314 C SER A 80 8.589 -7.905 3.168 1.00 1.00 C ATOM 1315 O SER A 80 7.984 -6.853 3.226 1.00 1.00 O ATOM 1316 CB SER A 80 9.977 -7.924 5.246 1.00 1.00 C ATOM 1317 OG SER A 80 9.050 -8.871 5.761 1.00 1.00 O ATOM 0 H SER A 80 10.367 -6.035 3.050 1.00 1.00 H new ATOM 0 HA SER A 80 10.432 -8.992 3.434 1.00 1.00 H new ATOM 0 HB2 SER A 80 10.970 -8.109 5.657 1.00 1.00 H new ATOM 0 HB3 SER A 80 9.690 -6.916 5.547 1.00 1.00 H new ATOM 0 HG SER A 80 9.027 -8.808 6.739 1.00 1.00 H new ATOM 1323 N SER A 81 8.053 -8.966 2.625 1.00 1.00 N ATOM 1324 CA SER A 81 6.672 -8.901 2.062 1.00 1.00 C ATOM 1325 C SER A 81 5.932 -10.207 2.358 1.00 1.00 C ATOM 1326 O SER A 81 6.534 -11.217 2.668 1.00 1.00 O ATOM 1327 CB SER A 81 6.751 -8.696 0.549 1.00 1.00 C ATOM 1328 OG SER A 81 6.975 -9.950 -0.082 1.00 1.00 O ATOM 0 H SER A 81 8.511 -9.874 2.547 1.00 1.00 H new ATOM 0 HA SER A 81 6.135 -8.070 2.518 1.00 1.00 H new ATOM 0 HB2 SER A 81 5.826 -8.251 0.182 1.00 1.00 H new ATOM 0 HB3 SER A 81 7.557 -8.004 0.305 1.00 1.00 H new ATOM 0 HG SER A 81 7.337 -9.804 -0.981 1.00 1.00 H new ATOM 1334 N SER A 82 4.631 -10.195 2.261 1.00 1.00 N ATOM 1335 CA SER A 82 3.850 -11.435 2.532 1.00 1.00 C ATOM 1336 C SER A 82 2.444 -11.284 1.962 1.00 1.00 C ATOM 1337 O SER A 82 2.019 -10.202 1.607 1.00 1.00 O ATOM 1338 CB SER A 82 3.771 -11.673 4.040 1.00 1.00 C ATOM 1339 OG SER A 82 5.050 -12.063 4.522 1.00 1.00 O ATOM 0 H SER A 82 4.074 -9.379 2.006 1.00 1.00 H new ATOM 0 HA SER A 82 4.343 -12.285 2.060 1.00 1.00 H new ATOM 0 HB2 SER A 82 3.440 -10.766 4.546 1.00 1.00 H new ATOM 0 HB3 SER A 82 3.035 -12.447 4.260 1.00 1.00 H new ATOM 0 HG SER A 82 5.671 -12.151 3.769 1.00 1.00 H new ATOM 1345 N THR A 83 1.727 -12.367 1.853 1.00 1.00 N ATOM 1346 CA THR A 83 0.360 -12.310 1.289 1.00 1.00 C ATOM 1347 C THR A 83 -0.674 -12.417 2.413 1.00 1.00 C ATOM 1348 O THR A 83 -0.717 -13.389 3.141 1.00 1.00 O ATOM 1349 CB THR A 83 0.213 -13.485 0.325 1.00 1.00 C ATOM 1350 OG1 THR A 83 1.189 -14.470 0.638 1.00 1.00 O ATOM 1351 CG2 THR A 83 0.425 -12.999 -1.107 1.00 1.00 C ATOM 0 H THR A 83 2.038 -13.297 2.135 1.00 1.00 H new ATOM 0 HA THR A 83 0.197 -11.366 0.769 1.00 1.00 H new ATOM 0 HB THR A 83 -0.785 -13.913 0.418 1.00 1.00 H new ATOM 0 HG1 THR A 83 1.098 -15.228 0.023 1.00 1.00 H new ATOM 0 HG21 THR A 83 0.320 -13.838 -1.795 1.00 1.00 H new ATOM 0 HG22 THR A 83 -0.318 -12.238 -1.347 1.00 1.00 H new ATOM 0 HG23 THR A 83 1.424 -12.574 -1.203 1.00 1.00 H new ATOM 1359 N ASN A 84 -1.510 -11.425 2.555 1.00 1.00 N ATOM 1360 CA ASN A 84 -2.545 -11.468 3.626 1.00 1.00 C ATOM 1361 C ASN A 84 -3.669 -10.487 3.288 1.00 1.00 C ATOM 1362 O ASN A 84 -3.469 -9.526 2.572 1.00 1.00 O ATOM 1363 CB ASN A 84 -1.913 -11.078 4.963 1.00 1.00 C ATOM 1364 CG ASN A 84 -1.191 -9.738 4.816 1.00 1.00 C ATOM 1365 OD1 ASN A 84 0.019 -9.672 4.909 1.00 1.00 O ATOM 1366 ND2 ASN A 84 -1.887 -8.658 4.587 1.00 1.00 N ATOM 0 H ASN A 84 -1.521 -10.586 1.975 1.00 1.00 H new ATOM 0 HA ASN A 84 -2.952 -12.477 3.697 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -2.681 -11.006 5.733 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -1.211 -11.848 5.284 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -1.415 -7.759 4.486 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -2.903 -8.713 4.509 1.00 1.00 H new ATOM 1373 N THR A 85 -4.854 -10.725 3.789 1.00 1.00 N ATOM 1374 CA THR A 85 -5.987 -9.811 3.495 1.00 1.00 C ATOM 1375 C THR A 85 -5.693 -8.436 4.101 1.00 1.00 C ATOM 1376 O THR A 85 -4.849 -8.298 4.964 1.00 1.00 O ATOM 1377 CB THR A 85 -7.258 -10.405 4.122 1.00 1.00 C ATOM 1378 OG1 THR A 85 -7.030 -11.773 4.430 1.00 1.00 O ATOM 1379 CG2 THR A 85 -8.428 -10.298 3.147 1.00 1.00 C ATOM 0 H THR A 85 -5.082 -11.517 4.390 1.00 1.00 H new ATOM 0 HA THR A 85 -6.124 -9.699 2.419 1.00 1.00 H new ATOM 0 HB THR A 85 -7.500 -9.851 5.029 1.00 1.00 H new ATOM 0 HG1 THR A 85 -7.150 -12.315 3.622 1.00 1.00 H new ATOM 0 HG21 THR A 85 -9.322 -10.722 3.604 1.00 1.00 H new ATOM 0 HG22 THR A 85 -8.606 -9.250 2.906 1.00 1.00 H new ATOM 0 HG23 THR A 85 -8.192 -10.845 2.234 1.00 1.00 H new ATOM 1387 N ILE A 86 -6.368 -7.411 3.649 1.00 1.00 N ATOM 1388 CA ILE A 86 -6.103 -6.048 4.198 1.00 1.00 C ATOM 1389 C ILE A 86 -7.398 -5.225 4.192 1.00 1.00 C ATOM 1390 O ILE A 86 -8.086 -5.131 3.192 1.00 1.00 O ATOM 1391 CB ILE A 86 -4.998 -5.364 3.356 1.00 1.00 C ATOM 1392 CG1 ILE A 86 -5.589 -4.391 2.322 1.00 1.00 C ATOM 1393 CG2 ILE A 86 -4.186 -6.428 2.612 1.00 1.00 C ATOM 1394 CD1 ILE A 86 -6.412 -5.156 1.276 1.00 1.00 C ATOM 0 H ILE A 86 -7.087 -7.458 2.927 1.00 1.00 H new ATOM 0 HA ILE A 86 -5.756 -6.121 5.229 1.00 1.00 H new ATOM 0 HB ILE A 86 -4.364 -4.802 4.042 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -6.219 -3.656 2.823 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -4.786 -3.841 1.831 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -3.409 -5.945 2.020 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -3.726 -7.104 3.332 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -4.845 -6.994 1.953 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -6.823 -4.453 0.552 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -5.772 -5.873 0.763 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -7.226 -5.686 1.770 1.00 1.00 H new ATOM 1406 N CYS A 87 -7.741 -4.635 5.309 1.00 1.00 N ATOM 1407 CA CYS A 87 -8.985 -3.826 5.381 1.00 1.00 C ATOM 1408 C CYS A 87 -8.703 -2.419 4.851 1.00 1.00 C ATOM 1409 O CYS A 87 -7.691 -1.818 5.148 1.00 1.00 O ATOM 1410 CB CYS A 87 -9.465 -3.774 6.840 1.00 1.00 C ATOM 1411 SG CYS A 87 -8.074 -4.093 7.955 1.00 1.00 S ATOM 0 H CYS A 87 -7.207 -4.682 6.177 1.00 1.00 H new ATOM 0 HA CYS A 87 -9.767 -4.277 4.770 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -9.899 -2.797 7.055 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -10.249 -4.514 7.001 1.00 1.00 H new ATOM 0 HG CYS A 87 -7.675 -5.322 7.811 1.00 1.00 H new ATOM 1416 N ILE A 88 -9.587 -1.902 4.043 1.00 1.00 N ATOM 1417 CA ILE A 88 -9.375 -0.540 3.466 1.00 1.00 C ATOM 1418 C ILE A 88 -10.740 0.112 3.221 1.00 1.00 C ATOM 1419 O ILE A 88 -11.734 -0.568 3.068 1.00 1.00 O ATOM 1420 CB ILE A 88 -8.580 -0.671 2.147 1.00 1.00 C ATOM 1421 CG1 ILE A 88 -9.159 0.251 1.067 1.00 1.00 C ATOM 1422 CG2 ILE A 88 -8.647 -2.114 1.642 1.00 1.00 C ATOM 1423 CD1 ILE A 88 -8.233 0.264 -0.156 1.00 1.00 C ATOM 0 H ILE A 88 -10.450 -2.364 3.755 1.00 1.00 H new ATOM 0 HA ILE A 88 -8.807 0.086 4.154 1.00 1.00 H new ATOM 0 HB ILE A 88 -7.547 -0.387 2.347 1.00 1.00 H new ATOM 0 HG12 ILE A 88 -10.153 -0.091 0.778 1.00 1.00 H new ATOM 0 HG13 ILE A 88 -9.271 1.261 1.460 1.00 1.00 H new ATOM 0 HG21 ILE A 88 -8.085 -2.201 0.712 1.00 1.00 H new ATOM 0 HG22 ILE A 88 -8.217 -2.781 2.389 1.00 1.00 H new ATOM 0 HG23 ILE A 88 -9.687 -2.389 1.465 1.00 1.00 H new ATOM 0 HD11 ILE A 88 -8.649 0.920 -0.920 1.00 1.00 H new ATOM 0 HD12 ILE A 88 -7.248 0.627 0.137 1.00 1.00 H new ATOM 0 HD13 ILE A 88 -8.143 -0.746 -0.555 1.00 1.00 H new ATOM 1435 N THR A 89 -10.802 1.421 3.179 1.00 1.00 N ATOM 1436 CA THR A 89 -12.113 2.099 2.940 1.00 1.00 C ATOM 1437 C THR A 89 -12.103 2.742 1.549 1.00 1.00 C ATOM 1438 O THR A 89 -11.120 3.330 1.127 1.00 1.00 O ATOM 1439 CB THR A 89 -12.354 3.155 4.033 1.00 1.00 C ATOM 1440 OG1 THR A 89 -13.158 2.587 5.057 1.00 1.00 O ATOM 1441 CG2 THR A 89 -13.069 4.381 3.454 1.00 1.00 C ATOM 0 H THR A 89 -10.005 2.046 3.299 1.00 1.00 H new ATOM 0 HA THR A 89 -12.924 1.371 2.982 1.00 1.00 H new ATOM 0 HB THR A 89 -11.392 3.470 4.436 1.00 1.00 H new ATOM 0 HG1 THR A 89 -13.315 3.254 5.758 1.00 1.00 H new ATOM 0 HG21 THR A 89 -13.230 5.115 4.244 1.00 1.00 H new ATOM 0 HG22 THR A 89 -12.456 4.822 2.668 1.00 1.00 H new ATOM 0 HG23 THR A 89 -14.030 4.079 3.038 1.00 1.00 H new ATOM 1449 N CYS A 90 -13.196 2.618 0.838 1.00 1.00 N ATOM 1450 CA CYS A 90 -13.291 3.192 -0.538 1.00 1.00 C ATOM 1451 C CYS A 90 -14.463 4.180 -0.604 1.00 1.00 C ATOM 1452 O CYS A 90 -15.256 4.273 0.313 1.00 1.00 O ATOM 1453 CB CYS A 90 -13.530 2.045 -1.530 1.00 1.00 C ATOM 1454 SG CYS A 90 -12.642 2.363 -3.073 1.00 1.00 S ATOM 0 H CYS A 90 -14.037 2.137 1.158 1.00 1.00 H new ATOM 0 HA CYS A 90 -12.369 3.717 -0.788 1.00 1.00 H new ATOM 0 HB2 CYS A 90 -13.195 1.103 -1.096 1.00 1.00 H new ATOM 0 HB3 CYS A 90 -14.597 1.943 -1.730 1.00 1.00 H new ATOM 1459 N VAL A 91 -14.580 4.912 -1.685 1.00 1.00 N ATOM 1460 CA VAL A 91 -15.703 5.893 -1.820 1.00 1.00 C ATOM 1461 C VAL A 91 -16.568 5.519 -3.027 1.00 1.00 C ATOM 1462 O VAL A 91 -16.866 4.364 -3.253 1.00 1.00 O ATOM 1463 CB VAL A 91 -15.134 7.300 -2.015 1.00 1.00 C ATOM 1464 CG1 VAL A 91 -16.212 8.348 -1.703 1.00 1.00 C ATOM 1465 CG2 VAL A 91 -13.949 7.495 -1.068 1.00 1.00 C ATOM 0 H VAL A 91 -13.945 4.873 -2.482 1.00 1.00 H new ATOM 0 HA VAL A 91 -16.313 5.871 -0.917 1.00 1.00 H new ATOM 0 HB VAL A 91 -14.809 7.419 -3.048 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -15.800 9.347 -1.844 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -17.060 8.208 -2.373 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -16.542 8.234 -0.670 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -13.538 8.496 -1.201 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -14.283 7.374 -0.038 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -13.180 6.755 -1.290 1.00 1.00 H new ATOM 1475 N ASN A 92 -16.973 6.486 -3.805 1.00 1.00 N ATOM 1476 CA ASN A 92 -17.820 6.180 -4.994 1.00 1.00 C ATOM 1477 C ASN A 92 -17.125 5.140 -5.858 1.00 1.00 C ATOM 1478 O ASN A 92 -17.732 4.219 -6.365 1.00 1.00 O ATOM 1479 CB ASN A 92 -18.041 7.458 -5.806 1.00 1.00 C ATOM 1480 CG ASN A 92 -19.220 7.260 -6.763 1.00 1.00 C ATOM 1481 OD1 ASN A 92 -19.641 6.146 -7.002 1.00 1.00 O ATOM 1482 ND2 ASN A 92 -19.772 8.301 -7.322 1.00 1.00 N ATOM 0 H ASN A 92 -16.755 7.473 -3.669 1.00 1.00 H new ATOM 0 HA ASN A 92 -18.783 5.790 -4.664 1.00 1.00 H new ATOM 0 HB2 ASN A 92 -18.239 8.296 -5.138 1.00 1.00 H new ATOM 0 HB3 ASN A 92 -17.140 7.704 -6.368 1.00 1.00 H new ATOM 0 HD21 ASN A 92 -20.558 8.180 -7.961 1.00 1.00 H new ATOM 0 HD22 ASN A 92 -19.418 9.236 -7.121 1.00 1.00 H new ATOM 1489 N GLN A 93 -15.853 5.289 -6.012 1.00 1.00 N ATOM 1490 CA GLN A 93 -15.068 4.325 -6.832 1.00 1.00 C ATOM 1491 C GLN A 93 -13.607 4.775 -6.868 1.00 1.00 C ATOM 1492 O GLN A 93 -13.010 4.892 -7.918 1.00 1.00 O ATOM 1493 CB GLN A 93 -15.625 4.278 -8.258 1.00 1.00 C ATOM 1494 CG GLN A 93 -15.905 5.699 -8.748 1.00 1.00 C ATOM 1495 CD GLN A 93 -16.126 5.682 -10.262 1.00 1.00 C ATOM 1496 OE1 GLN A 93 -17.229 5.465 -10.725 1.00 1.00 O ATOM 1497 NE2 GLN A 93 -15.116 5.901 -11.060 1.00 1.00 N ATOM 0 H GLN A 93 -15.307 6.047 -5.602 1.00 1.00 H new ATOM 0 HA GLN A 93 -15.139 3.331 -6.391 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -14.912 3.788 -8.921 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -16.541 3.687 -8.282 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -16.785 6.102 -8.246 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -15.069 6.352 -8.499 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -14.190 6.083 -10.673 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -15.253 5.890 -12.071 1.00 1.00 H new ATOM 1506 N LEU A 94 -13.034 5.031 -5.725 1.00 1.00 N ATOM 1507 CA LEU A 94 -11.613 5.483 -5.676 1.00 1.00 C ATOM 1508 C LEU A 94 -11.050 5.203 -4.268 1.00 1.00 C ATOM 1509 O LEU A 94 -11.307 5.945 -3.343 1.00 1.00 O ATOM 1510 CB LEU A 94 -11.566 6.996 -5.960 1.00 1.00 C ATOM 1511 CG LEU A 94 -10.603 7.295 -7.122 1.00 1.00 C ATOM 1512 CD1 LEU A 94 -11.222 6.851 -8.452 1.00 1.00 C ATOM 1513 CD2 LEU A 94 -10.322 8.801 -7.171 1.00 1.00 C ATOM 0 H LEU A 94 -13.491 4.946 -4.817 1.00 1.00 H new ATOM 0 HA LEU A 94 -11.018 4.951 -6.419 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -12.565 7.357 -6.205 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -11.244 7.530 -5.066 1.00 1.00 H new ATOM 0 HG LEU A 94 -9.674 6.748 -6.963 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -10.530 7.068 -9.266 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -11.421 5.780 -8.421 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -12.156 7.389 -8.616 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -9.640 9.017 -7.993 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -11.257 9.341 -7.323 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -9.869 9.117 -6.231 1.00 1.00 H new ATOM 1525 N PRO A 95 -10.292 4.143 -4.104 1.00 1.00 N ATOM 1526 CA PRO A 95 -9.691 3.781 -2.780 1.00 1.00 C ATOM 1527 C PRO A 95 -8.821 4.909 -2.213 1.00 1.00 C ATOM 1528 O PRO A 95 -8.041 5.509 -2.926 1.00 1.00 O ATOM 1529 CB PRO A 95 -8.827 2.549 -3.082 1.00 1.00 C ATOM 1530 CG PRO A 95 -9.329 2.002 -4.380 1.00 1.00 C ATOM 1531 CD PRO A 95 -9.931 3.176 -5.152 1.00 1.00 C ATOM 0 HA PRO A 95 -10.460 3.597 -2.030 1.00 1.00 H new ATOM 0 HB2 PRO A 95 -7.773 2.819 -3.154 1.00 1.00 H new ATOM 0 HB3 PRO A 95 -8.912 1.808 -2.287 1.00 1.00 H new ATOM 0 HG2 PRO A 95 -8.518 1.543 -4.945 1.00 1.00 H new ATOM 0 HG3 PRO A 95 -10.077 1.228 -4.210 1.00 1.00 H new ATOM 0 HD2 PRO A 95 -9.215 3.600 -5.857 1.00 1.00 H new ATOM 0 HD3 PRO A 95 -10.803 2.869 -5.729 1.00 1.00 H new ATOM 1539 N ILE A 96 -8.934 5.205 -0.938 1.00 1.00 N ATOM 1540 CA ILE A 96 -8.092 6.297 -0.364 1.00 1.00 C ATOM 1541 C ILE A 96 -7.764 6.044 1.116 1.00 1.00 C ATOM 1542 O ILE A 96 -6.975 6.767 1.692 1.00 1.00 O ATOM 1543 CB ILE A 96 -8.818 7.643 -0.495 1.00 1.00 C ATOM 1544 CG1 ILE A 96 -10.166 7.589 0.240 1.00 1.00 C ATOM 1545 CG2 ILE A 96 -9.060 7.954 -1.972 1.00 1.00 C ATOM 1546 CD1 ILE A 96 -9.964 7.789 1.747 1.00 1.00 C ATOM 0 H ILE A 96 -9.564 4.744 -0.281 1.00 1.00 H new ATOM 0 HA ILE A 96 -7.157 6.318 -0.924 1.00 1.00 H new ATOM 0 HB ILE A 96 -8.199 8.423 -0.052 1.00 1.00 H new ATOM 0 HG12 ILE A 96 -10.830 8.360 -0.149 1.00 1.00 H new ATOM 0 HG13 ILE A 96 -10.649 6.629 0.056 1.00 1.00 H new ATOM 0 HG21 ILE A 96 -9.576 8.910 -2.063 1.00 1.00 H new ATOM 0 HG22 ILE A 96 -8.105 8.006 -2.494 1.00 1.00 H new ATOM 0 HG23 ILE A 96 -9.673 7.168 -2.414 1.00 1.00 H new ATOM 0 HD11 ILE A 96 -10.929 7.748 2.252 1.00 1.00 H new ATOM 0 HD12 ILE A 96 -9.317 7.002 2.135 1.00 1.00 H new ATOM 0 HD13 ILE A 96 -9.502 8.760 1.926 1.00 1.00 H new ATOM 1558 N HIS A 97 -8.345 5.050 1.758 1.00 1.00 N ATOM 1559 CA HIS A 97 -8.014 4.832 3.203 1.00 1.00 C ATOM 1560 C HIS A 97 -7.452 3.424 3.419 1.00 1.00 C ATOM 1561 O HIS A 97 -8.019 2.440 2.990 1.00 1.00 O ATOM 1562 CB HIS A 97 -9.280 5.015 4.051 1.00 1.00 C ATOM 1563 CG HIS A 97 -9.285 6.385 4.678 1.00 1.00 C ATOM 1564 ND1 HIS A 97 -8.160 6.924 5.287 1.00 1.00 N ATOM 1565 CD2 HIS A 97 -10.269 7.335 4.798 1.00 1.00 C ATOM 1566 CE1 HIS A 97 -8.491 8.147 5.741 1.00 1.00 C ATOM 1567 NE2 HIS A 97 -9.763 8.444 5.468 1.00 1.00 N ATOM 0 H HIS A 97 -9.017 4.397 1.354 1.00 1.00 H new ATOM 0 HA HIS A 97 -7.260 5.559 3.504 1.00 1.00 H new ATOM 0 HB2 HIS A 97 -10.166 4.887 3.429 1.00 1.00 H new ATOM 0 HB3 HIS A 97 -9.322 4.251 4.827 1.00 1.00 H new ATOM 0 HD2 HIS A 97 -11.279 7.236 4.429 1.00 1.00 H new ATOM 0 HE1 HIS A 97 -7.812 8.806 6.261 1.00 1.00 H new ATOM 0 HE2 HIS A 97 -10.260 9.304 5.702 1.00 1.00 H new ATOM 1576 N PHE A 98 -6.342 3.329 4.106 1.00 1.00 N ATOM 1577 CA PHE A 98 -5.732 1.996 4.385 1.00 1.00 C ATOM 1578 C PHE A 98 -6.034 1.622 5.836 1.00 1.00 C ATOM 1579 O PHE A 98 -5.420 2.122 6.757 1.00 1.00 O ATOM 1580 CB PHE A 98 -4.215 2.073 4.187 1.00 1.00 C ATOM 1581 CG PHE A 98 -3.609 0.709 4.413 1.00 1.00 C ATOM 1582 CD1 PHE A 98 -3.631 -0.246 3.390 1.00 1.00 C ATOM 1583 CD2 PHE A 98 -3.025 0.398 5.648 1.00 1.00 C ATOM 1584 CE1 PHE A 98 -3.070 -1.511 3.600 1.00 1.00 C ATOM 1585 CE2 PHE A 98 -2.463 -0.867 5.858 1.00 1.00 C ATOM 1586 CZ PHE A 98 -2.486 -1.822 4.833 1.00 1.00 C ATOM 0 H PHE A 98 -5.830 4.124 4.488 1.00 1.00 H new ATOM 0 HA PHE A 98 -6.143 1.248 3.707 1.00 1.00 H new ATOM 0 HB2 PHE A 98 -3.986 2.422 3.180 1.00 1.00 H new ATOM 0 HB3 PHE A 98 -3.783 2.794 4.881 1.00 1.00 H new ATOM 0 HD1 PHE A 98 -4.081 -0.007 2.438 1.00 1.00 H new ATOM 0 HD2 PHE A 98 -3.008 1.134 6.438 1.00 1.00 H new ATOM 0 HE1 PHE A 98 -3.088 -2.247 2.810 1.00 1.00 H new ATOM 0 HE2 PHE A 98 -2.012 -1.107 6.810 1.00 1.00 H new ATOM 0 HZ PHE A 98 -2.053 -2.798 4.995 1.00 1.00 H new ATOM 1596 N ALA A 99 -6.980 0.754 6.047 1.00 1.00 N ATOM 1597 CA ALA A 99 -7.330 0.357 7.436 1.00 1.00 C ATOM 1598 C ALA A 99 -6.098 -0.229 8.129 1.00 1.00 C ATOM 1599 O ALA A 99 -5.436 0.432 8.904 1.00 1.00 O ATOM 1600 CB ALA A 99 -8.446 -0.686 7.391 1.00 1.00 C ATOM 0 H ALA A 99 -7.528 0.301 5.315 1.00 1.00 H new ATOM 0 HA ALA A 99 -7.669 1.229 7.994 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -8.708 -0.982 8.407 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -9.321 -0.261 6.899 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -8.106 -1.559 6.835 1.00 1.00 H new ATOM 1606 N GLY A 100 -5.784 -1.466 7.856 1.00 1.00 N ATOM 1607 CA GLY A 100 -4.594 -2.088 8.502 1.00 1.00 C ATOM 1608 C GLY A 100 -4.266 -3.415 7.817 1.00 1.00 C ATOM 1609 O GLY A 100 -4.845 -3.764 6.808 1.00 1.00 O ATOM 0 H GLY A 100 -6.298 -2.071 7.216 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -3.740 -1.414 8.437 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -4.789 -2.254 9.561 1.00 1.00 H new ATOM 1613 N VAL A 101 -3.340 -4.158 8.360 1.00 1.00 N ATOM 1614 CA VAL A 101 -2.973 -5.464 7.743 1.00 1.00 C ATOM 1615 C VAL A 101 -3.983 -6.531 8.172 1.00 1.00 C ATOM 1616 O VAL A 101 -4.653 -6.397 9.176 1.00 1.00 O ATOM 1617 CB VAL A 101 -1.572 -5.870 8.207 1.00 1.00 C ATOM 1618 CG1 VAL A 101 -1.564 -6.030 9.728 1.00 1.00 C ATOM 1619 CG2 VAL A 101 -1.185 -7.200 7.553 1.00 1.00 C ATOM 0 H VAL A 101 -2.822 -3.917 9.205 1.00 1.00 H new ATOM 0 HA VAL A 101 -2.983 -5.370 6.657 1.00 1.00 H new ATOM 0 HB VAL A 101 -0.856 -5.100 7.919 1.00 1.00 H new ATOM 0 HG11 VAL A 101 -0.566 -6.319 10.058 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -1.841 -5.085 10.195 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -2.279 -6.800 10.017 1.00 1.00 H new ATOM 0 HG21 VAL A 101 -0.187 -7.491 7.882 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -1.901 -7.969 7.842 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -1.191 -7.088 6.469 1.00 1.00 H new ATOM 1629 N GLY A 102 -4.099 -7.589 7.416 1.00 1.00 N ATOM 1630 CA GLY A 102 -5.067 -8.661 7.781 1.00 1.00 C ATOM 1631 C GLY A 102 -6.467 -8.058 7.904 1.00 1.00 C ATOM 1632 O GLY A 102 -6.673 -6.888 7.649 1.00 1.00 O ATOM 0 H GLY A 102 -3.566 -7.757 6.563 1.00 1.00 H new ATOM 0 HA2 GLY A 102 -5.062 -9.445 7.024 1.00 1.00 H new ATOM 0 HA3 GLY A 102 -4.775 -9.126 8.723 1.00 1.00 H new ATOM 1636 N SER A 103 -7.432 -8.846 8.295 1.00 1.00 N ATOM 1637 CA SER A 103 -8.816 -8.311 8.432 1.00 1.00 C ATOM 1638 C SER A 103 -8.867 -7.330 9.604 1.00 1.00 C ATOM 1639 O SER A 103 -8.216 -7.520 10.612 1.00 1.00 O ATOM 1640 CB SER A 103 -9.785 -9.465 8.690 1.00 1.00 C ATOM 1641 OG SER A 103 -9.655 -9.894 10.039 1.00 1.00 O ATOM 0 H SER A 103 -7.322 -9.834 8.525 1.00 1.00 H new ATOM 0 HA SER A 103 -9.101 -7.797 7.514 1.00 1.00 H new ATOM 0 HB2 SER A 103 -10.809 -9.146 8.495 1.00 1.00 H new ATOM 0 HB3 SER A 103 -9.574 -10.291 8.011 1.00 1.00 H new ATOM 0 HG SER A 103 -10.276 -10.633 10.209 1.00 1.00 H new