USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 754 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 103 HIS : no HD1:sc= -0.434 X(o=-0.14,f=0.024) USER MOD Set 1.2: A 112 ASN : amide:sc= 0.297 K(o=-0.14,f=-5.8!) USER MOD Set 2.1: A 82 MET CE :methyl 143:sc= -2 (180deg=-5.96!) USER MOD Set 2.2: A 96 MET CE :methyl -143:sc= -1.51 (180deg=-2.14) USER MOD Set 3.1: A 75 ASN : amide:sc= -0.0225 K(o=-0.022,f=-3.8!) USER MOD Set 3.2: A 78 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 52 ASN : amide:sc= -0.672 K(o=1.3,f=2.1) USER MOD Set 4.2: A 63 CYS SG : rot 180:sc= 0.66 USER MOD Set 4.3: A 90 CYS SG : rot -116:sc= 1.3 USER MOD Set 5.1: A 32 THR OG1 : rot 121:sc= 0.341 USER MOD Set 5.2: A 50 THR OG1 : rot 180:sc= 0.319 USER MOD Set 6.1: A 40 ASN : amide:sc=-0.00686 X(o=-0.033,f=0.44) USER MOD Set 6.2: A 117 GLN : amide:sc= -0.0264 X(o=-0.033,f=0.43) USER MOD Single : A 26 GLN : amide:sc= -2.2! K(o=-2.2!,f=-0.018) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0907 X(o=-0.091,f=-0.086) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 169:sc= -0.12 (180deg=-0.416) USER MOD Single : A 46 THR OG1 : rot -109:sc= 1.22 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 56 SER OG : rot 42:sc= 1.26 USER MOD Single : A 58 GLN : amide:sc= -2.05! K(o=-2!,f=-0.44) USER MOD Single : A 65 THR OG1 : rot 154:sc= 0.178 USER MOD Single : A 68 GLN : amide:sc= -0.395 K(o=-0.4,f=-2.2!) USER MOD Single : A 71 SER OG : rot -28:sc= 0.0233 USER MOD Single : A 72 MET CE :methyl 176:sc= -0.0299 (180deg=-0.0455) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0.193 K(o=0.19,f=-5.1!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.255 X(o=-0.25,f=-0.25) USER MOD Single : A 109 GLN : amide:sc= 1.14 K(o=1.1,f=-0.026) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl -173:sc= -1.3 (180deg=-1.45) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 -4.545 -12.841 -11.965 1.00 0.00 N ATOM 2 CA GLY A 25 -5.937 -12.401 -12.108 1.00 0.00 C ATOM 3 C GLY A 25 -6.661 -12.560 -10.791 1.00 0.00 C ATOM 4 O GLY A 25 -6.046 -12.357 -9.749 1.00 0.00 O ATOM 0 HA2 GLY A 25 -5.968 -11.359 -12.427 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.436 -12.986 -12.881 1.00 0.00 H new ATOM 8 N GLN A 26 -7.949 -12.925 -10.785 1.00 0.00 N ATOM 9 CA GLN A 26 -8.598 -13.307 -9.535 1.00 0.00 C ATOM 10 C GLN A 26 -8.104 -14.693 -9.139 1.00 0.00 C ATOM 11 O GLN A 26 -8.519 -15.684 -9.739 1.00 0.00 O ATOM 12 CB GLN A 26 -10.128 -13.204 -9.596 1.00 0.00 C ATOM 13 CG GLN A 26 -10.853 -13.689 -8.322 1.00 0.00 C ATOM 14 CD GLN A 26 -10.505 -12.955 -7.020 1.00 0.00 C ATOM 15 OE1 GLN A 26 -11.332 -12.238 -6.462 1.00 0.00 O ATOM 16 NE2 GLN A 26 -9.317 -13.189 -6.477 1.00 0.00 N ATOM 0 H GLN A 26 -8.546 -12.962 -11.611 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.319 -12.597 -8.757 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.403 -12.166 -9.782 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.485 -13.786 -10.446 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.927 -13.604 -8.486 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.635 -14.748 -8.186 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.645 -13.788 -6.958 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.075 -12.770 -5.579 1.00 0.00 H new ATOM 25 N GLU A 27 -7.229 -14.761 -8.135 1.00 0.00 N ATOM 26 CA GLU A 27 -6.662 -16.034 -7.687 1.00 0.00 C ATOM 27 C GLU A 27 -6.289 -16.067 -6.206 1.00 0.00 C ATOM 28 O GLU A 27 -5.612 -16.986 -5.745 1.00 0.00 O ATOM 29 CB GLU A 27 -5.497 -16.417 -8.614 1.00 0.00 C ATOM 30 CG GLU A 27 -4.411 -15.335 -8.679 1.00 0.00 C ATOM 31 CD GLU A 27 -3.434 -15.627 -9.810 1.00 0.00 C ATOM 32 OE1 GLU A 27 -3.816 -15.430 -10.991 1.00 0.00 O ATOM 33 OE2 GLU A 27 -2.273 -16.001 -9.532 1.00 0.00 O ATOM 0 H GLU A 27 -6.897 -13.948 -7.616 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.441 -16.793 -7.764 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.054 -17.350 -8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.882 -16.601 -9.617 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.871 -14.359 -8.831 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.876 -15.291 -7.730 1.00 0.00 H new ATOM 41 N LEU A 28 -6.779 -15.098 -5.442 1.00 0.00 N ATOM 42 CA LEU A 28 -6.729 -15.053 -3.986 1.00 0.00 C ATOM 43 C LEU A 28 -8.029 -14.422 -3.483 1.00 0.00 C ATOM 44 O LEU A 28 -8.301 -13.277 -3.843 1.00 0.00 O ATOM 45 CB LEU A 28 -5.529 -14.231 -3.490 1.00 0.00 C ATOM 46 CG LEU A 28 -4.238 -15.034 -3.292 1.00 0.00 C ATOM 47 CD1 LEU A 28 -3.116 -14.057 -2.978 1.00 0.00 C ATOM 48 CD2 LEU A 28 -4.342 -15.993 -2.110 1.00 0.00 C ATOM 0 H LEU A 28 -7.245 -14.283 -5.841 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.615 -16.067 -3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.336 -13.429 -4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.796 -13.759 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.054 -15.607 -4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.186 -14.606 -2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.000 -13.358 -3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.357 -13.505 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.407 -16.543 -2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.536 -15.427 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.158 -16.695 -2.282 1.00 0.00 H new ATOM 60 N PRO A 29 -8.858 -15.134 -2.705 1.00 0.00 N ATOM 61 CA PRO A 29 -10.066 -14.575 -2.109 1.00 0.00 C ATOM 62 C PRO A 29 -9.696 -13.732 -0.869 1.00 0.00 C ATOM 63 O PRO A 29 -8.707 -14.058 -0.201 1.00 0.00 O ATOM 64 CB PRO A 29 -10.919 -15.796 -1.756 1.00 0.00 C ATOM 65 CG PRO A 29 -9.889 -16.887 -1.461 1.00 0.00 C ATOM 66 CD PRO A 29 -8.682 -16.522 -2.326 1.00 0.00 C ATOM 0 HA PRO A 29 -10.608 -13.901 -2.772 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.556 -15.603 -0.893 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -11.575 -16.077 -2.580 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.627 -16.909 -0.403 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.274 -17.875 -1.714 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.752 -16.659 -1.774 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.627 -17.162 -3.207 1.00 0.00 H new ATOM 74 N PRO A 30 -10.465 -12.671 -0.539 1.00 0.00 N ATOM 75 CA PRO A 30 -10.104 -11.673 0.466 1.00 0.00 C ATOM 76 C PRO A 30 -9.984 -12.225 1.901 1.00 0.00 C ATOM 77 O PRO A 30 -10.360 -13.366 2.186 1.00 0.00 O ATOM 78 CB PRO A 30 -11.089 -10.516 0.321 1.00 0.00 C ATOM 79 CG PRO A 30 -12.258 -11.089 -0.469 1.00 0.00 C ATOM 80 CD PRO A 30 -11.676 -12.273 -1.232 1.00 0.00 C ATOM 0 HA PRO A 30 -9.089 -11.321 0.282 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.413 -10.149 1.295 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.635 -9.674 -0.201 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.065 -11.404 0.193 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.675 -10.347 -1.150 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.389 -13.097 -1.267 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -11.457 -11.997 -2.263 1.00 0.00 H new ATOM 88 N GLY A 31 -9.428 -11.419 2.813 1.00 0.00 N ATOM 89 CA GLY A 31 -8.982 -11.848 4.142 1.00 0.00 C ATOM 90 C GLY A 31 -8.098 -10.798 4.824 1.00 0.00 C ATOM 91 O GLY A 31 -8.213 -9.605 4.529 1.00 0.00 O ATOM 0 H GLY A 31 -9.272 -10.426 2.642 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.852 -12.050 4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.429 -12.783 4.053 1.00 0.00 H new ATOM 95 N THR A 32 -7.202 -11.225 5.722 1.00 0.00 N ATOM 96 CA THR A 32 -6.102 -10.399 6.226 1.00 0.00 C ATOM 97 C THR A 32 -4.800 -11.218 6.291 1.00 0.00 C ATOM 98 O THR A 32 -4.804 -12.377 6.726 1.00 0.00 O ATOM 99 CB THR A 32 -6.513 -9.725 7.552 1.00 0.00 C ATOM 100 OG1 THR A 32 -5.582 -8.730 7.912 1.00 0.00 O ATOM 101 CG2 THR A 32 -6.629 -10.697 8.728 1.00 0.00 C ATOM 0 H THR A 32 -7.222 -12.163 6.122 1.00 0.00 H new ATOM 0 HA THR A 32 -5.890 -9.583 5.536 1.00 0.00 H new ATOM 0 HB THR A 32 -7.499 -9.301 7.361 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.036 -7.864 7.974 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.921 -10.150 9.625 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.381 -11.453 8.502 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.667 -11.181 8.896 1.00 0.00 H new ATOM 109 N TYR A 33 -3.687 -10.650 5.819 1.00 0.00 N ATOM 110 CA TYR A 33 -2.384 -11.306 5.733 1.00 0.00 C ATOM 111 C TYR A 33 -1.371 -10.486 6.523 1.00 0.00 C ATOM 112 O TYR A 33 -1.201 -9.291 6.285 1.00 0.00 O ATOM 113 CB TYR A 33 -1.947 -11.581 4.274 1.00 0.00 C ATOM 114 CG TYR A 33 -2.290 -10.577 3.172 1.00 0.00 C ATOM 115 CD1 TYR A 33 -1.836 -9.247 3.197 1.00 0.00 C ATOM 116 CD2 TYR A 33 -2.970 -11.013 2.019 1.00 0.00 C ATOM 117 CE1 TYR A 33 -2.120 -8.369 2.144 1.00 0.00 C ATOM 118 CE2 TYR A 33 -3.268 -10.130 0.963 1.00 0.00 C ATOM 119 CZ TYR A 33 -2.843 -8.790 1.022 1.00 0.00 C ATOM 120 OH TYR A 33 -3.033 -7.894 0.016 1.00 0.00 O ATOM 0 H TYR A 33 -3.670 -9.690 5.476 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.452 -12.297 6.181 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.864 -11.702 4.277 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.374 -12.541 3.983 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.260 -8.897 4.041 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.270 -12.048 1.943 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.775 -7.347 2.199 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.824 -10.482 0.106 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.549 -8.314 -0.703 1.00 0.00 H new ATOM 130 N ARG A 34 -0.714 -11.087 7.516 1.00 0.00 N ATOM 131 CA ARG A 34 0.390 -10.423 8.199 1.00 0.00 C ATOM 132 C ARG A 34 1.560 -10.387 7.239 1.00 0.00 C ATOM 133 O ARG A 34 2.045 -11.449 6.864 1.00 0.00 O ATOM 134 CB ARG A 34 0.730 -11.165 9.495 1.00 0.00 C ATOM 135 CG ARG A 34 1.502 -10.333 10.523 1.00 0.00 C ATOM 136 CD ARG A 34 2.781 -9.647 10.025 1.00 0.00 C ATOM 137 NE ARG A 34 3.922 -9.755 10.936 1.00 0.00 N ATOM 138 CZ ARG A 34 4.038 -9.461 12.232 1.00 0.00 C ATOM 139 NH1 ARG A 34 3.017 -9.004 12.954 1.00 0.00 N ATOM 140 NH2 ARG A 34 5.231 -9.621 12.782 1.00 0.00 N ATOM 0 H ARG A 34 -0.926 -12.023 7.861 1.00 0.00 H new ATOM 0 HA ARG A 34 0.126 -9.405 8.484 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.196 -11.514 9.952 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.317 -12.050 9.248 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.833 -9.566 10.913 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.765 -10.981 11.359 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.058 -10.078 9.063 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.569 -8.592 9.852 1.00 0.00 H new ATOM 0 HE ARG A 34 4.773 -10.117 10.506 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.105 -8.867 12.518 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.147 -8.791 13.943 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.012 -9.956 12.218 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.370 -9.409 13.770 1.00 0.00 H new ATOM 154 N VAL A 35 2.045 -9.204 6.881 1.00 0.00 N ATOM 155 CA VAL A 35 3.263 -9.031 6.098 1.00 0.00 C ATOM 156 C VAL A 35 3.924 -7.716 6.483 1.00 0.00 C ATOM 157 O VAL A 35 3.374 -6.939 7.273 1.00 0.00 O ATOM 158 CB VAL A 35 2.950 -9.135 4.588 1.00 0.00 C ATOM 159 CG1 VAL A 35 2.627 -10.564 4.141 1.00 0.00 C ATOM 160 CG2 VAL A 35 1.801 -8.213 4.167 1.00 0.00 C ATOM 0 H VAL A 35 1.595 -8.323 7.131 1.00 0.00 H new ATOM 0 HA VAL A 35 3.972 -9.829 6.318 1.00 0.00 H new ATOM 0 HB VAL A 35 3.867 -8.816 4.092 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.416 -10.572 3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.479 -11.211 4.348 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.755 -10.927 4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.620 -8.323 3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.899 -8.481 4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.066 -7.179 4.386 1.00 0.00 H new ATOM 170 N ASP A 36 5.107 -7.490 5.921 1.00 0.00 N ATOM 171 CA ASP A 36 5.905 -6.305 6.150 1.00 0.00 C ATOM 172 C ASP A 36 5.737 -5.477 4.886 1.00 0.00 C ATOM 173 O ASP A 36 6.030 -5.929 3.779 1.00 0.00 O ATOM 174 CB ASP A 36 7.387 -6.575 6.471 1.00 0.00 C ATOM 175 CG ASP A 36 7.704 -7.701 7.459 1.00 0.00 C ATOM 176 OD1 ASP A 36 7.009 -7.821 8.495 1.00 0.00 O ATOM 177 OD2 ASP A 36 8.711 -8.415 7.243 1.00 0.00 O ATOM 0 H ASP A 36 5.544 -8.149 5.276 1.00 0.00 H new ATOM 0 HA ASP A 36 5.561 -5.789 7.046 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.899 -6.796 5.534 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.820 -5.654 6.861 1.00 0.00 H new ATOM 183 N ILE A 37 5.150 -4.299 5.037 1.00 0.00 N ATOM 184 CA ILE A 37 4.899 -3.323 4.001 1.00 0.00 C ATOM 185 C ILE A 37 6.270 -2.797 3.572 1.00 0.00 C ATOM 186 O ILE A 37 6.991 -2.259 4.409 1.00 0.00 O ATOM 187 CB ILE A 37 3.959 -2.237 4.584 1.00 0.00 C ATOM 188 CG1 ILE A 37 2.572 -2.800 4.995 1.00 0.00 C ATOM 189 CG2 ILE A 37 3.751 -1.090 3.579 1.00 0.00 C ATOM 190 CD1 ILE A 37 2.466 -3.408 6.403 1.00 0.00 C ATOM 0 H ILE A 37 4.817 -3.984 5.948 1.00 0.00 H new ATOM 0 HA ILE A 37 4.397 -3.723 3.120 1.00 0.00 H new ATOM 0 HB ILE A 37 4.454 -1.864 5.480 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.841 -1.996 4.915 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.286 -3.564 4.272 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.088 -0.342 4.013 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.712 -0.632 3.346 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.306 -1.483 2.665 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.450 -3.765 6.570 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.163 -4.241 6.493 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.710 -2.649 7.146 1.00 0.00 H new ATOM 202 N TYR A 38 6.634 -2.950 2.299 1.00 0.00 N ATOM 203 CA TYR A 38 7.952 -2.663 1.740 1.00 0.00 C ATOM 204 C TYR A 38 7.741 -1.682 0.593 1.00 0.00 C ATOM 205 O TYR A 38 7.455 -2.077 -0.544 1.00 0.00 O ATOM 206 CB TYR A 38 8.663 -3.940 1.268 1.00 0.00 C ATOM 207 CG TYR A 38 9.763 -4.495 2.161 1.00 0.00 C ATOM 208 CD1 TYR A 38 9.477 -5.321 3.264 1.00 0.00 C ATOM 209 CD2 TYR A 38 11.103 -4.297 1.791 1.00 0.00 C ATOM 210 CE1 TYR A 38 10.518 -6.001 3.927 1.00 0.00 C ATOM 211 CE2 TYR A 38 12.154 -4.916 2.482 1.00 0.00 C ATOM 212 CZ TYR A 38 11.863 -5.801 3.537 1.00 0.00 C ATOM 213 OH TYR A 38 12.872 -6.510 4.104 1.00 0.00 O ATOM 0 H TYR A 38 5.982 -3.296 1.594 1.00 0.00 H new ATOM 0 HA TYR A 38 8.602 -2.231 2.501 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.910 -4.717 1.137 1.00 0.00 H new ATOM 0 HB3 TYR A 38 9.092 -3.744 0.286 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.458 -5.434 3.603 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.329 -3.653 0.954 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.288 -6.678 4.737 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.179 -4.715 2.207 1.00 0.00 H new ATOM 0 HH TYR A 38 13.726 -6.237 3.709 1.00 0.00 H new ATOM 223 N LEU A 39 7.837 -0.392 0.903 1.00 0.00 N ATOM 224 CA LEU A 39 7.710 0.659 -0.085 1.00 0.00 C ATOM 225 C LEU A 39 9.066 0.885 -0.732 1.00 0.00 C ATOM 226 O LEU A 39 10.045 1.070 -0.013 1.00 0.00 O ATOM 227 CB LEU A 39 7.196 1.941 0.569 1.00 0.00 C ATOM 228 CG LEU A 39 7.144 3.179 -0.350 1.00 0.00 C ATOM 229 CD1 LEU A 39 5.740 3.524 -0.828 1.00 0.00 C ATOM 230 CD2 LEU A 39 7.618 4.413 0.411 1.00 0.00 C ATOM 0 H LEU A 39 8.005 -0.052 1.850 1.00 0.00 H new ATOM 0 HA LEU A 39 6.991 0.366 -0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.194 1.755 0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.830 2.172 1.425 1.00 0.00 H new ATOM 0 HG LEU A 39 7.774 2.925 -1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.780 4.404 -1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.330 2.684 -1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.103 3.730 0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.578 5.283 -0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.972 4.579 1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.643 4.260 0.749 1.00 0.00 H new ATOM 242 N ASN A 40 9.120 0.927 -2.066 1.00 0.00 N ATOM 243 CA ASN A 40 10.352 1.110 -2.846 1.00 0.00 C ATOM 244 C ASN A 40 11.454 0.181 -2.344 1.00 0.00 C ATOM 245 O ASN A 40 12.590 0.594 -2.110 1.00 0.00 O ATOM 246 CB ASN A 40 10.825 2.571 -2.836 1.00 0.00 C ATOM 247 CG ASN A 40 9.853 3.521 -3.493 1.00 0.00 C ATOM 248 OD1 ASN A 40 9.483 3.348 -4.652 1.00 0.00 O ATOM 249 ND2 ASN A 40 9.433 4.548 -2.781 1.00 0.00 N ATOM 0 H ASN A 40 8.289 0.833 -2.650 1.00 0.00 H new ATOM 0 HA ASN A 40 10.123 0.850 -3.879 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.988 2.885 -1.805 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.787 2.637 -3.345 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.786 5.222 -3.190 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.755 4.669 -1.821 1.00 0.00 H new ATOM 256 N ASN A 41 11.108 -1.099 -2.183 1.00 0.00 N ATOM 257 CA ASN A 41 12.030 -2.149 -1.755 1.00 0.00 C ATOM 258 C ASN A 41 12.531 -1.943 -0.317 1.00 0.00 C ATOM 259 O ASN A 41 13.527 -2.563 0.048 1.00 0.00 O ATOM 260 CB ASN A 41 13.217 -2.332 -2.733 1.00 0.00 C ATOM 261 CG ASN A 41 12.854 -2.077 -4.187 1.00 0.00 C ATOM 262 OD1 ASN A 41 12.085 -2.818 -4.789 1.00 0.00 O ATOM 263 ND2 ASN A 41 13.297 -0.961 -4.739 1.00 0.00 N ATOM 0 H ASN A 41 10.161 -1.439 -2.350 1.00 0.00 H new ATOM 0 HA ASN A 41 11.450 -3.072 -1.769 1.00 0.00 H new ATOM 0 HB2 ASN A 41 14.022 -1.656 -2.444 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.603 -3.347 -2.636 1.00 0.00 H new ATOM 0 HD21 ASN A 41 12.999 -0.705 -5.680 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.936 -0.356 -4.224 1.00 0.00 H new ATOM 270 N GLY A 42 11.844 -1.164 0.529 1.00 0.00 N ATOM 271 CA GLY A 42 12.275 -0.857 1.890 1.00 0.00 C ATOM 272 C GLY A 42 11.106 -0.952 2.862 1.00 0.00 C ATOM 273 O GLY A 42 10.067 -0.343 2.623 1.00 0.00 O ATOM 0 H GLY A 42 10.959 -0.724 0.278 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.062 -1.548 2.192 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.701 0.146 1.924 1.00 0.00 H new ATOM 277 N TYR A 43 11.257 -1.743 3.924 1.00 0.00 N ATOM 278 CA TYR A 43 10.248 -1.992 4.954 1.00 0.00 C ATOM 279 C TYR A 43 9.836 -0.683 5.656 1.00 0.00 C ATOM 280 O TYR A 43 10.711 0.100 6.033 1.00 0.00 O ATOM 281 CB TYR A 43 10.816 -3.037 5.929 1.00 0.00 C ATOM 282 CG TYR A 43 10.462 -2.832 7.379 1.00 0.00 C ATOM 283 CD1 TYR A 43 9.178 -3.150 7.849 1.00 0.00 C ATOM 284 CD2 TYR A 43 11.412 -2.271 8.248 1.00 0.00 C ATOM 285 CE1 TYR A 43 8.835 -2.867 9.178 1.00 0.00 C ATOM 286 CE2 TYR A 43 11.070 -1.968 9.572 1.00 0.00 C ATOM 287 CZ TYR A 43 9.771 -2.245 10.035 1.00 0.00 C ATOM 288 OH TYR A 43 9.420 -1.846 11.286 1.00 0.00 O ATOM 0 H TYR A 43 12.125 -2.250 4.098 1.00 0.00 H new ATOM 0 HA TYR A 43 9.334 -2.385 4.509 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.464 -4.022 5.623 1.00 0.00 H new ATOM 0 HB3 TYR A 43 11.902 -3.043 5.836 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.458 -3.611 7.189 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.412 -2.072 7.893 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.854 -3.125 9.548 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.799 -1.524 10.233 1.00 0.00 H new ATOM 0 HH TYR A 43 10.194 -1.440 11.729 1.00 0.00 H new ATOM 298 N MET A 44 8.528 -0.464 5.849 1.00 0.00 N ATOM 299 CA MET A 44 7.926 0.733 6.449 1.00 0.00 C ATOM 300 C MET A 44 6.958 0.403 7.601 1.00 0.00 C ATOM 301 O MET A 44 6.725 1.266 8.451 1.00 0.00 O ATOM 302 CB MET A 44 7.132 1.513 5.381 1.00 0.00 C ATOM 303 CG MET A 44 7.881 1.848 4.089 1.00 0.00 C ATOM 304 SD MET A 44 8.732 3.447 3.972 1.00 0.00 S ATOM 305 CE MET A 44 10.125 3.243 5.110 1.00 0.00 C ATOM 0 H MET A 44 7.826 -1.152 5.577 1.00 0.00 H new ATOM 0 HA MET A 44 8.752 1.323 6.847 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.246 0.933 5.122 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.784 2.445 5.826 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.621 1.065 3.922 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.167 1.791 3.267 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.824 4.070 4.982 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.758 3.234 6.136 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.633 2.302 4.898 1.00 0.00 H new ATOM 315 N ALA A 45 6.341 -0.783 7.626 1.00 0.00 N ATOM 316 CA ALA A 45 5.420 -1.251 8.669 1.00 0.00 C ATOM 317 C ALA A 45 5.311 -2.771 8.570 1.00 0.00 C ATOM 318 O ALA A 45 5.728 -3.349 7.570 1.00 0.00 O ATOM 319 CB ALA A 45 4.032 -0.602 8.512 1.00 0.00 C ATOM 0 H ALA A 45 6.475 -1.474 6.888 1.00 0.00 H new ATOM 0 HA ALA A 45 5.805 -0.966 9.648 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.369 -0.966 9.297 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.126 0.481 8.590 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.617 -0.861 7.538 1.00 0.00 H new ATOM 325 N THR A 46 4.704 -3.398 9.571 1.00 0.00 N ATOM 326 CA THR A 46 4.549 -4.833 9.731 1.00 0.00 C ATOM 327 C THR A 46 3.263 -5.005 10.522 1.00 0.00 C ATOM 328 O THR A 46 3.160 -4.468 11.624 1.00 0.00 O ATOM 329 CB THR A 46 5.757 -5.403 10.493 1.00 0.00 C ATOM 330 OG1 THR A 46 6.886 -5.442 9.653 1.00 0.00 O ATOM 331 CG2 THR A 46 5.518 -6.806 11.034 1.00 0.00 C ATOM 0 H THR A 46 4.280 -2.880 10.341 1.00 0.00 H new ATOM 0 HA THR A 46 4.501 -5.363 8.780 1.00 0.00 H new ATOM 0 HB THR A 46 5.919 -4.737 11.341 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.091 -6.372 9.423 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.408 -7.149 11.561 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.673 -6.792 11.722 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.302 -7.483 10.207 1.00 0.00 H new ATOM 339 N ARG A 47 2.265 -5.680 9.951 1.00 0.00 N ATOM 340 CA ARG A 47 0.974 -5.939 10.590 1.00 0.00 C ATOM 341 C ARG A 47 0.129 -6.805 9.667 1.00 0.00 C ATOM 342 O ARG A 47 0.489 -7.036 8.513 1.00 0.00 O ATOM 343 CB ARG A 47 0.236 -4.637 11.005 1.00 0.00 C ATOM 344 CG ARG A 47 0.264 -3.478 9.993 1.00 0.00 C ATOM 345 CD ARG A 47 -1.097 -3.179 9.364 1.00 0.00 C ATOM 346 NE ARG A 47 -1.966 -2.383 10.256 1.00 0.00 N ATOM 347 CZ ARG A 47 -3.246 -2.593 10.615 1.00 0.00 C ATOM 348 NH1 ARG A 47 -3.903 -3.702 10.311 1.00 0.00 N ATOM 349 NH2 ARG A 47 -3.890 -1.646 11.281 1.00 0.00 N ATOM 0 H ARG A 47 2.333 -6.070 9.011 1.00 0.00 H new ATOM 0 HA ARG A 47 1.152 -6.475 11.522 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.805 -4.886 11.210 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.669 -4.283 11.941 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.629 -2.580 10.492 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.976 -3.715 9.202 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.951 -2.641 8.428 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.595 -4.117 9.118 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.532 -1.552 10.659 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.439 -4.441 9.783 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.873 -3.817 10.605 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.415 -0.774 11.514 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.860 -1.789 11.561 1.00 0.00 H new ATOM 363 N ASP A 48 -0.982 -7.295 10.198 1.00 0.00 N ATOM 364 CA ASP A 48 -2.081 -7.939 9.487 1.00 0.00 C ATOM 365 C ASP A 48 -2.701 -6.907 8.554 1.00 0.00 C ATOM 366 O ASP A 48 -3.461 -6.047 9.002 1.00 0.00 O ATOM 367 CB ASP A 48 -3.101 -8.499 10.489 1.00 0.00 C ATOM 368 CG ASP A 48 -2.614 -9.791 11.135 1.00 0.00 C ATOM 369 OD1 ASP A 48 -3.163 -10.867 10.806 1.00 0.00 O ATOM 370 OD2 ASP A 48 -1.689 -9.736 11.980 1.00 0.00 O ATOM 0 H ASP A 48 -1.152 -7.251 11.203 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.725 -8.783 8.897 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.294 -7.757 11.263 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.047 -8.682 9.980 1.00 0.00 H new ATOM 376 N VAL A 49 -2.320 -6.910 7.281 1.00 0.00 N ATOM 377 CA VAL A 49 -2.898 -6.058 6.256 1.00 0.00 C ATOM 378 C VAL A 49 -4.147 -6.769 5.754 1.00 0.00 C ATOM 379 O VAL A 49 -4.079 -7.800 5.084 1.00 0.00 O ATOM 380 CB VAL A 49 -1.888 -5.693 5.146 1.00 0.00 C ATOM 381 CG1 VAL A 49 -2.265 -4.308 4.596 1.00 0.00 C ATOM 382 CG2 VAL A 49 -0.437 -5.609 5.639 1.00 0.00 C ATOM 0 H VAL A 49 -1.583 -7.521 6.928 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.173 -5.085 6.664 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.939 -6.483 4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.565 -4.026 3.809 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.275 -4.341 4.189 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.222 -3.573 5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.216 -5.349 4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.359 -4.846 6.413 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.136 -6.573 6.049 1.00 0.00 H new ATOM 392 N THR A 50 -5.301 -6.249 6.147 1.00 0.00 N ATOM 393 CA THR A 50 -6.590 -6.661 5.629 1.00 0.00 C ATOM 394 C THR A 50 -6.628 -6.249 4.153 1.00 0.00 C ATOM 395 O THR A 50 -6.202 -5.143 3.825 1.00 0.00 O ATOM 396 CB THR A 50 -7.666 -6.003 6.511 1.00 0.00 C ATOM 397 OG1 THR A 50 -7.387 -6.283 7.882 1.00 0.00 O ATOM 398 CG2 THR A 50 -9.080 -6.469 6.186 1.00 0.00 C ATOM 0 H THR A 50 -5.364 -5.513 6.850 1.00 0.00 H new ATOM 0 HA THR A 50 -6.771 -7.735 5.664 1.00 0.00 H new ATOM 0 HB THR A 50 -7.628 -4.932 6.310 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.070 -5.864 8.447 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.789 -5.967 6.844 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.313 -6.227 5.149 1.00 0.00 H new ATOM 0 HG23 THR A 50 -9.150 -7.547 6.332 1.00 0.00 H new ATOM 406 N PHE A 51 -7.081 -7.122 3.252 1.00 0.00 N ATOM 407 CA PHE A 51 -7.259 -6.873 1.842 1.00 0.00 C ATOM 408 C PHE A 51 -8.716 -7.116 1.448 1.00 0.00 C ATOM 409 O PHE A 51 -9.393 -7.995 1.983 1.00 0.00 O ATOM 410 CB PHE A 51 -6.289 -7.782 1.090 1.00 0.00 C ATOM 411 CG PHE A 51 -6.343 -9.255 1.480 1.00 0.00 C ATOM 412 CD1 PHE A 51 -5.718 -9.730 2.648 1.00 0.00 C ATOM 413 CD2 PHE A 51 -6.947 -10.182 0.623 1.00 0.00 C ATOM 414 CE1 PHE A 51 -5.692 -11.107 2.934 1.00 0.00 C ATOM 415 CE2 PHE A 51 -6.842 -11.560 0.873 1.00 0.00 C ATOM 416 CZ PHE A 51 -6.232 -12.029 2.036 1.00 0.00 C ATOM 0 H PHE A 51 -7.345 -8.072 3.513 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.041 -5.836 1.588 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.491 -7.698 0.022 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.275 -7.417 1.252 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.255 -9.032 3.330 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.499 -9.835 -0.238 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.250 -11.454 3.857 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.238 -12.264 0.157 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.178 -13.088 2.239 1.00 0.00 H new ATOM 426 N ASN A 52 -9.215 -6.296 0.532 1.00 0.00 N ATOM 427 CA ASN A 52 -10.555 -6.350 -0.040 1.00 0.00 C ATOM 428 C ASN A 52 -10.453 -7.040 -1.399 1.00 0.00 C ATOM 429 O ASN A 52 -9.361 -7.162 -1.960 1.00 0.00 O ATOM 430 CB ASN A 52 -11.101 -4.918 -0.235 1.00 0.00 C ATOM 431 CG ASN A 52 -11.626 -4.218 1.019 1.00 0.00 C ATOM 432 OD1 ASN A 52 -12.207 -3.140 0.911 1.00 0.00 O ATOM 433 ND2 ASN A 52 -11.433 -4.769 2.207 1.00 0.00 N ATOM 0 H ASN A 52 -8.663 -5.530 0.146 1.00 0.00 H new ATOM 0 HA ASN A 52 -11.227 -6.895 0.623 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.308 -4.305 -0.663 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -11.906 -4.956 -0.969 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -11.768 -4.299 3.048 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.949 -5.664 2.282 1.00 0.00 H new ATOM 440 N THR A 53 -11.594 -7.446 -1.954 1.00 0.00 N ATOM 441 CA THR A 53 -11.730 -7.847 -3.351 1.00 0.00 C ATOM 442 C THR A 53 -11.207 -6.697 -4.229 1.00 0.00 C ATOM 443 O THR A 53 -11.332 -5.524 -3.861 1.00 0.00 O ATOM 444 CB THR A 53 -13.213 -8.181 -3.647 1.00 0.00 C ATOM 445 OG1 THR A 53 -13.972 -8.342 -2.450 1.00 0.00 O ATOM 446 CG2 THR A 53 -13.349 -9.451 -4.490 1.00 0.00 C ATOM 0 H THR A 53 -12.468 -7.506 -1.432 1.00 0.00 H new ATOM 0 HA THR A 53 -11.148 -8.743 -3.568 1.00 0.00 H new ATOM 0 HB THR A 53 -13.606 -7.332 -4.207 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.902 -8.550 -2.678 1.00 0.00 H new ATOM 0 HG21 THR A 53 -14.404 -9.653 -4.677 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.832 -9.314 -5.440 1.00 0.00 H new ATOM 0 HG23 THR A 53 -12.908 -10.292 -3.955 1.00 0.00 H new ATOM 454 N GLY A 54 -10.592 -7.005 -5.368 1.00 0.00 N ATOM 455 CA GLY A 54 -9.893 -6.023 -6.177 1.00 0.00 C ATOM 456 C GLY A 54 -9.700 -6.566 -7.581 1.00 0.00 C ATOM 457 O GLY A 54 -10.378 -7.510 -7.985 1.00 0.00 O ATOM 0 H GLY A 54 -10.567 -7.949 -5.754 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.461 -5.093 -6.210 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.927 -5.790 -5.730 1.00 0.00 H new ATOM 461 N ASP A 55 -8.752 -5.989 -8.312 1.00 0.00 N ATOM 462 CA ASP A 55 -8.232 -6.574 -9.537 1.00 0.00 C ATOM 463 C ASP A 55 -6.743 -6.267 -9.562 1.00 0.00 C ATOM 464 O ASP A 55 -6.357 -5.133 -9.269 1.00 0.00 O ATOM 465 CB ASP A 55 -8.935 -5.982 -10.766 1.00 0.00 C ATOM 466 CG ASP A 55 -8.898 -6.920 -11.972 1.00 0.00 C ATOM 467 OD1 ASP A 55 -9.086 -6.417 -13.102 1.00 0.00 O ATOM 468 OD2 ASP A 55 -8.775 -8.153 -11.797 1.00 0.00 O ATOM 0 H ASP A 55 -8.322 -5.097 -8.067 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.410 -7.649 -9.565 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.972 -5.760 -10.515 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.461 -5.037 -11.031 1.00 0.00 H new ATOM 474 N SER A 56 -5.901 -7.267 -9.814 1.00 0.00 N ATOM 475 CA SER A 56 -4.447 -7.179 -9.951 1.00 0.00 C ATOM 476 C SER A 56 -3.947 -8.574 -10.372 1.00 0.00 C ATOM 477 O SER A 56 -4.756 -9.423 -10.762 1.00 0.00 O ATOM 478 CB SER A 56 -3.777 -6.699 -8.642 1.00 0.00 C ATOM 479 OG SER A 56 -3.881 -5.303 -8.462 1.00 0.00 O ATOM 0 H SER A 56 -6.237 -8.222 -9.936 1.00 0.00 H new ATOM 0 HA SER A 56 -4.180 -6.438 -10.705 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.238 -7.207 -7.795 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.725 -6.984 -8.651 1.00 0.00 H new ATOM 0 HG SER A 56 -4.778 -5.006 -8.720 1.00 0.00 H new ATOM 485 N GLU A 57 -2.640 -8.848 -10.285 1.00 0.00 N ATOM 486 CA GLU A 57 -2.104 -10.197 -10.448 1.00 0.00 C ATOM 487 C GLU A 57 -2.705 -11.157 -9.410 1.00 0.00 C ATOM 488 O GLU A 57 -2.921 -12.317 -9.761 1.00 0.00 O ATOM 489 CB GLU A 57 -0.568 -10.212 -10.370 1.00 0.00 C ATOM 490 CG GLU A 57 0.125 -9.549 -11.573 1.00 0.00 C ATOM 491 CD GLU A 57 -0.008 -10.376 -12.861 1.00 0.00 C ATOM 492 OE1 GLU A 57 -1.071 -10.289 -13.518 1.00 0.00 O ATOM 493 OE2 GLU A 57 0.943 -11.112 -13.216 1.00 0.00 O ATOM 0 H GLU A 57 -1.929 -8.140 -10.100 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.389 -10.540 -11.443 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.256 -9.703 -9.458 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.228 -11.245 -10.292 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.304 -8.560 -11.735 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.181 -9.405 -11.345 1.00 0.00 H new ATOM 501 N GLN A 58 -3.014 -10.693 -8.188 1.00 0.00 N ATOM 502 CA GLN A 58 -3.660 -11.517 -7.155 1.00 0.00 C ATOM 503 C GLN A 58 -5.188 -11.356 -7.051 1.00 0.00 C ATOM 504 O GLN A 58 -5.846 -12.252 -6.516 1.00 0.00 O ATOM 505 CB GLN A 58 -2.956 -11.239 -5.830 1.00 0.00 C ATOM 506 CG GLN A 58 -1.520 -11.795 -5.935 1.00 0.00 C ATOM 507 CD GLN A 58 -0.835 -11.963 -4.598 1.00 0.00 C ATOM 508 OE1 GLN A 58 -0.232 -12.989 -4.292 1.00 0.00 O ATOM 509 NE2 GLN A 58 -0.916 -10.963 -3.753 1.00 0.00 N ATOM 0 H GLN A 58 -2.823 -9.737 -7.889 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.547 -12.562 -7.443 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.937 -10.169 -5.624 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.490 -11.713 -5.006 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.549 -12.759 -6.442 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.925 -11.126 -6.557 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.418 -10.114 -4.014 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.477 -11.034 -2.835 1.00 0.00 H new ATOM 518 N GLY A 59 -5.779 -10.271 -7.571 1.00 0.00 N ATOM 519 CA GLY A 59 -7.241 -10.134 -7.621 1.00 0.00 C ATOM 520 C GLY A 59 -7.880 -9.535 -6.363 1.00 0.00 C ATOM 521 O GLY A 59 -9.091 -9.599 -6.174 1.00 0.00 O ATOM 0 H GLY A 59 -5.269 -9.478 -7.961 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.503 -9.510 -8.475 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.677 -11.117 -7.799 1.00 0.00 H new ATOM 525 N ILE A 60 -7.065 -8.972 -5.483 1.00 0.00 N ATOM 526 CA ILE A 60 -7.403 -8.423 -4.175 1.00 0.00 C ATOM 527 C ILE A 60 -6.440 -7.267 -3.949 1.00 0.00 C ATOM 528 O ILE A 60 -5.361 -7.248 -4.553 1.00 0.00 O ATOM 529 CB ILE A 60 -7.225 -9.487 -3.061 1.00 0.00 C ATOM 530 CG1 ILE A 60 -6.039 -10.432 -3.377 1.00 0.00 C ATOM 531 CG2 ILE A 60 -8.519 -10.303 -2.889 1.00 0.00 C ATOM 532 CD1 ILE A 60 -5.483 -11.082 -2.125 1.00 0.00 C ATOM 0 H ILE A 60 -6.069 -8.879 -5.680 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.444 -8.101 -4.143 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.007 -8.965 -2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.366 -11.205 -4.072 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.249 -9.869 -3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.379 -11.046 -2.104 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.336 -9.636 -2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.759 -10.806 -3.826 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.653 -11.736 -2.393 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.131 -10.311 -1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.265 -11.667 -1.641 1.00 0.00 H new ATOM 544 N VAL A 61 -6.766 -6.343 -3.050 1.00 0.00 N ATOM 545 CA VAL A 61 -5.917 -5.191 -2.759 1.00 0.00 C ATOM 546 C VAL A 61 -5.940 -4.883 -1.254 1.00 0.00 C ATOM 547 O VAL A 61 -7.002 -5.008 -0.638 1.00 0.00 O ATOM 548 CB VAL A 61 -6.352 -3.981 -3.606 1.00 0.00 C ATOM 549 CG1 VAL A 61 -5.991 -4.153 -5.094 1.00 0.00 C ATOM 550 CG2 VAL A 61 -7.852 -3.680 -3.491 1.00 0.00 C ATOM 0 H VAL A 61 -7.626 -6.371 -2.502 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.887 -5.423 -3.029 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.797 -3.137 -3.196 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.317 -3.275 -5.651 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.912 -4.267 -5.196 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.488 -5.039 -5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.098 -2.817 -4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.424 -4.544 -3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.101 -3.464 -2.452 1.00 0.00 H new ATOM 560 N PRO A 62 -4.810 -4.498 -0.633 1.00 0.00 N ATOM 561 CA PRO A 62 -4.755 -4.108 0.773 1.00 0.00 C ATOM 562 C PRO A 62 -5.645 -2.901 1.077 1.00 0.00 C ATOM 563 O PRO A 62 -5.927 -2.038 0.240 1.00 0.00 O ATOM 564 CB PRO A 62 -3.291 -3.786 1.071 1.00 0.00 C ATOM 565 CG PRO A 62 -2.502 -4.290 -0.127 1.00 0.00 C ATOM 566 CD PRO A 62 -3.510 -4.322 -1.262 1.00 0.00 C ATOM 0 HA PRO A 62 -5.129 -4.916 1.401 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.147 -2.715 1.211 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.963 -4.274 1.989 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.666 -3.630 -0.358 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -2.085 -5.279 0.061 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.477 -3.399 -1.840 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.296 -5.138 -1.952 1.00 0.00 H new ATOM 574 N CYS A 63 -6.014 -2.804 2.346 1.00 0.00 N ATOM 575 CA CYS A 63 -6.719 -1.701 2.953 1.00 0.00 C ATOM 576 C CYS A 63 -5.680 -0.690 3.465 1.00 0.00 C ATOM 577 O CYS A 63 -5.454 -0.558 4.670 1.00 0.00 O ATOM 578 CB CYS A 63 -7.594 -2.277 4.069 1.00 0.00 C ATOM 579 SG CYS A 63 -8.887 -3.426 3.540 1.00 0.00 S ATOM 0 H CYS A 63 -5.812 -3.546 3.017 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.366 -1.173 2.252 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -6.949 -2.789 4.783 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -8.064 -1.450 4.600 1.00 0.00 H new ATOM 0 HG CYS A 63 -9.551 -3.840 4.578 1.00 0.00 H new ATOM 585 N LEU A 64 -5.000 -0.002 2.543 1.00 0.00 N ATOM 586 CA LEU A 64 -4.069 1.070 2.897 1.00 0.00 C ATOM 587 C LEU A 64 -4.924 2.306 3.173 1.00 0.00 C ATOM 588 O LEU A 64 -5.815 2.602 2.378 1.00 0.00 O ATOM 589 CB LEU A 64 -3.066 1.353 1.761 1.00 0.00 C ATOM 590 CG LEU A 64 -2.186 0.139 1.379 1.00 0.00 C ATOM 591 CD1 LEU A 64 -2.402 -0.274 -0.087 1.00 0.00 C ATOM 592 CD2 LEU A 64 -0.691 0.404 1.593 1.00 0.00 C ATOM 0 H LEU A 64 -5.079 -0.171 1.540 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.475 0.787 3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.616 1.682 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.419 2.178 2.059 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.497 -0.668 2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.768 -1.129 -0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.447 -0.544 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.144 0.559 -0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.120 -0.480 1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.380 1.249 0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.509 0.632 2.643 1.00 0.00 H new ATOM 604 N THR A 65 -4.678 3.012 4.277 1.00 0.00 N ATOM 605 CA THR A 65 -5.436 4.203 4.666 1.00 0.00 C ATOM 606 C THR A 65 -4.607 5.455 4.369 1.00 0.00 C ATOM 607 O THR A 65 -3.409 5.350 4.092 1.00 0.00 O ATOM 608 CB THR A 65 -5.851 4.109 6.153 1.00 0.00 C ATOM 609 OG1 THR A 65 -4.720 4.347 6.969 1.00 0.00 O ATOM 610 CG2 THR A 65 -6.432 2.735 6.520 1.00 0.00 C ATOM 0 H THR A 65 -3.937 2.770 4.935 1.00 0.00 H new ATOM 0 HA THR A 65 -6.355 4.268 4.083 1.00 0.00 H new ATOM 0 HB THR A 65 -6.626 4.857 6.317 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.011 4.691 7.839 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.706 2.726 7.575 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.317 2.540 5.914 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.686 1.963 6.332 1.00 0.00 H new ATOM 618 N ARG A 66 -5.190 6.657 4.490 1.00 0.00 N ATOM 619 CA ARG A 66 -4.429 7.893 4.438 1.00 0.00 C ATOM 620 C ARG A 66 -3.231 7.839 5.383 1.00 0.00 C ATOM 621 O ARG A 66 -2.112 8.116 4.952 1.00 0.00 O ATOM 622 CB ARG A 66 -5.359 9.054 4.808 1.00 0.00 C ATOM 623 CG ARG A 66 -4.649 10.404 4.623 1.00 0.00 C ATOM 624 CD ARG A 66 -5.357 11.251 3.576 1.00 0.00 C ATOM 625 NE ARG A 66 -6.524 11.956 4.131 1.00 0.00 N ATOM 626 CZ ARG A 66 -6.596 13.135 4.759 1.00 0.00 C ATOM 627 NH1 ARG A 66 -5.549 13.948 4.872 1.00 0.00 N ATOM 628 NH2 ARG A 66 -7.764 13.495 5.279 1.00 0.00 N ATOM 0 H ARG A 66 -6.192 6.789 4.625 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.040 8.038 3.430 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.254 9.021 4.187 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.685 8.949 5.843 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.623 10.939 5.572 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.615 10.237 4.323 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.657 11.978 3.164 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.677 10.614 2.751 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.414 11.471 4.020 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.650 13.680 4.472 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.645 14.839 5.359 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.572 12.879 5.193 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.853 14.388 5.764 1.00 0.00 H new ATOM 642 N ALA A 67 -3.466 7.483 6.650 1.00 0.00 N ATOM 643 CA ALA A 67 -2.423 7.541 7.655 1.00 0.00 C ATOM 644 C ALA A 67 -1.330 6.537 7.332 1.00 0.00 C ATOM 645 O ALA A 67 -0.162 6.897 7.444 1.00 0.00 O ATOM 646 CB ALA A 67 -2.970 7.275 9.050 1.00 0.00 C ATOM 0 H ALA A 67 -4.368 7.154 6.994 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.009 8.549 7.643 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.158 7.327 9.775 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.723 8.024 9.294 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.421 6.283 9.081 1.00 0.00 H new ATOM 652 N GLN A 68 -1.691 5.316 6.919 1.00 0.00 N ATOM 653 CA GLN A 68 -0.748 4.278 6.514 1.00 0.00 C ATOM 654 C GLN A 68 0.201 4.823 5.459 1.00 0.00 C ATOM 655 O GLN A 68 1.416 4.722 5.592 1.00 0.00 O ATOM 656 CB GLN A 68 -1.519 3.077 5.942 1.00 0.00 C ATOM 657 CG GLN A 68 -2.215 2.259 7.032 1.00 0.00 C ATOM 658 CD GLN A 68 -1.270 1.260 7.688 1.00 0.00 C ATOM 659 OE1 GLN A 68 -0.212 1.609 8.203 1.00 0.00 O ATOM 660 NE2 GLN A 68 -1.595 -0.020 7.678 1.00 0.00 N ATOM 0 H GLN A 68 -2.665 5.021 6.857 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.172 3.960 7.383 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.262 3.432 5.228 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.831 2.435 5.393 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -2.615 2.932 7.791 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.062 1.727 6.600 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.472 -0.320 7.252 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.969 -0.708 8.096 1.00 0.00 H new ATOM 669 N LEU A 69 -0.347 5.427 4.410 1.00 0.00 N ATOM 670 CA LEU A 69 0.475 5.884 3.302 1.00 0.00 C ATOM 671 C LEU A 69 1.330 7.082 3.714 1.00 0.00 C ATOM 672 O LEU A 69 2.515 7.157 3.398 1.00 0.00 O ATOM 673 CB LEU A 69 -0.411 6.222 2.114 1.00 0.00 C ATOM 674 CG LEU A 69 -1.296 5.045 1.674 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.498 5.598 0.914 1.00 0.00 C ATOM 676 CD2 LEU A 69 -0.490 4.019 0.874 1.00 0.00 C ATOM 0 H LEU A 69 -1.345 5.609 4.306 1.00 0.00 H new ATOM 0 HA LEU A 69 1.156 5.084 3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.045 7.071 2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.215 6.532 1.277 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.668 4.503 2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.137 4.775 0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.064 6.265 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.153 6.150 0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.141 3.197 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.076 4.495 -0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.322 3.633 1.491 1.00 0.00 H new ATOM 688 N ALA A 70 0.783 8.019 4.480 1.00 0.00 N ATOM 689 CA ALA A 70 1.589 9.119 4.995 1.00 0.00 C ATOM 690 C ALA A 70 2.640 8.623 6.007 1.00 0.00 C ATOM 691 O ALA A 70 3.611 9.340 6.261 1.00 0.00 O ATOM 692 CB ALA A 70 0.671 10.158 5.627 1.00 0.00 C ATOM 0 H ALA A 70 -0.199 8.040 4.755 1.00 0.00 H new ATOM 0 HA ALA A 70 2.134 9.573 4.168 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.268 10.984 6.014 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.024 10.534 4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.112 9.701 6.443 1.00 0.00 H new ATOM 698 N SER A 71 2.477 7.422 6.582 1.00 0.00 N ATOM 699 CA SER A 71 3.376 6.800 7.563 1.00 0.00 C ATOM 700 C SER A 71 4.582 6.145 6.872 1.00 0.00 C ATOM 701 O SER A 71 5.538 5.763 7.544 1.00 0.00 O ATOM 702 CB SER A 71 2.586 5.738 8.350 1.00 0.00 C ATOM 703 OG SER A 71 3.242 5.186 9.476 1.00 0.00 O ATOM 0 H SER A 71 1.675 6.830 6.364 1.00 0.00 H new ATOM 0 HA SER A 71 3.754 7.569 8.237 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.648 6.184 8.683 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.329 4.926 7.669 1.00 0.00 H new ATOM 0 HG SER A 71 4.211 5.210 9.334 1.00 0.00 H new ATOM 709 N MET A 72 4.533 5.959 5.552 1.00 0.00 N ATOM 710 CA MET A 72 5.643 5.502 4.714 1.00 0.00 C ATOM 711 C MET A 72 6.204 6.681 3.896 1.00 0.00 C ATOM 712 O MET A 72 7.265 6.557 3.289 1.00 0.00 O ATOM 713 CB MET A 72 5.192 4.326 3.822 1.00 0.00 C ATOM 714 CG MET A 72 3.918 4.686 3.066 1.00 0.00 C ATOM 715 SD MET A 72 3.268 3.605 1.777 1.00 0.00 S ATOM 716 CE MET A 72 2.894 2.207 2.823 1.00 0.00 C ATOM 0 H MET A 72 3.683 6.130 5.015 1.00 0.00 H new ATOM 0 HA MET A 72 6.450 5.131 5.345 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.982 4.074 3.115 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.020 3.442 4.436 1.00 0.00 H new ATOM 0 HG2 MET A 72 3.129 4.808 3.809 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.081 5.663 2.611 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.407 1.431 2.233 1.00 0.00 H new ATOM 0 HE2 MET A 72 3.817 1.814 3.248 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.229 2.522 3.627 1.00 0.00 H new ATOM 726 N GLY A 73 5.518 7.834 3.873 1.00 0.00 N ATOM 727 CA GLY A 73 6.034 9.068 3.297 1.00 0.00 C ATOM 728 C GLY A 73 5.343 9.472 2.003 1.00 0.00 C ATOM 729 O GLY A 73 5.841 10.377 1.323 1.00 0.00 O ATOM 0 H GLY A 73 4.579 7.928 4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.924 9.872 4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.101 8.953 3.108 1.00 0.00 H new ATOM 733 N LEU A 74 4.226 8.829 1.649 1.00 0.00 N ATOM 734 CA LEU A 74 3.388 9.298 0.558 1.00 0.00 C ATOM 735 C LEU A 74 2.981 10.735 0.856 1.00 0.00 C ATOM 736 O LEU A 74 2.464 11.047 1.929 1.00 0.00 O ATOM 737 CB LEU A 74 2.123 8.444 0.415 1.00 0.00 C ATOM 738 CG LEU A 74 1.151 9.013 -0.646 1.00 0.00 C ATOM 739 CD1 LEU A 74 1.352 8.365 -2.007 1.00 0.00 C ATOM 740 CD2 LEU A 74 -0.287 8.928 -0.156 1.00 0.00 C ATOM 0 H LEU A 74 3.887 7.983 2.107 1.00 0.00 H new ATOM 0 HA LEU A 74 3.951 9.228 -0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.402 7.427 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.615 8.387 1.377 1.00 0.00 H new ATOM 0 HG LEU A 74 1.381 10.069 -0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.649 8.794 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.372 8.544 -2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.179 7.292 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.955 9.333 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.545 7.887 0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.393 9.503 0.764 1.00 0.00 H new ATOM 752 N ASN A 75 3.124 11.575 -0.157 1.00 0.00 N ATOM 753 CA ASN A 75 2.563 12.906 -0.173 1.00 0.00 C ATOM 754 C ASN A 75 1.076 12.835 -0.527 1.00 0.00 C ATOM 755 O ASN A 75 0.698 12.777 -1.700 1.00 0.00 O ATOM 756 CB ASN A 75 3.330 13.733 -1.198 1.00 0.00 C ATOM 757 CG ASN A 75 3.114 15.223 -1.017 1.00 0.00 C ATOM 758 OD1 ASN A 75 2.106 15.671 -0.470 1.00 0.00 O ATOM 759 ND2 ASN A 75 4.088 15.998 -1.449 1.00 0.00 N ATOM 0 H ASN A 75 3.643 11.342 -1.003 1.00 0.00 H new ATOM 0 HA ASN A 75 2.651 13.373 0.808 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.394 13.510 -1.118 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.019 13.443 -2.201 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.023 17.010 -1.335 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.907 15.586 -1.897 1.00 0.00 H new ATOM 766 N THR A 76 0.216 12.820 0.487 1.00 0.00 N ATOM 767 CA THR A 76 -1.237 12.804 0.337 1.00 0.00 C ATOM 768 C THR A 76 -1.740 14.016 -0.451 1.00 0.00 C ATOM 769 O THR A 76 -2.795 13.909 -1.064 1.00 0.00 O ATOM 770 CB THR A 76 -1.873 12.729 1.734 1.00 0.00 C ATOM 771 OG1 THR A 76 -1.401 13.767 2.569 1.00 0.00 O ATOM 772 CG2 THR A 76 -1.548 11.398 2.420 1.00 0.00 C ATOM 0 H THR A 76 0.517 12.819 1.461 1.00 0.00 H new ATOM 0 HA THR A 76 -1.530 11.927 -0.241 1.00 0.00 H new ATOM 0 HB THR A 76 -2.949 12.825 1.589 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.824 13.696 3.450 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.011 11.374 3.406 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.933 10.575 1.818 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.468 11.297 2.524 1.00 0.00 H new ATOM 780 N ALA A 77 -1.015 15.142 -0.483 1.00 0.00 N ATOM 781 CA ALA A 77 -1.422 16.297 -1.272 1.00 0.00 C ATOM 782 C ALA A 77 -1.129 16.110 -2.764 1.00 0.00 C ATOM 783 O ALA A 77 -1.903 16.608 -3.583 1.00 0.00 O ATOM 784 CB ALA A 77 -0.761 17.571 -0.740 1.00 0.00 C ATOM 0 H ALA A 77 -0.144 15.271 0.031 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.503 16.396 -1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.077 18.423 -1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.058 17.729 0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.323 17.469 -0.796 1.00 0.00 H new ATOM 790 N SER A 78 -0.061 15.396 -3.143 1.00 0.00 N ATOM 791 CA SER A 78 0.237 15.126 -4.552 1.00 0.00 C ATOM 792 C SER A 78 -0.850 14.267 -5.201 1.00 0.00 C ATOM 793 O SER A 78 -1.054 14.362 -6.413 1.00 0.00 O ATOM 794 CB SER A 78 1.608 14.452 -4.695 1.00 0.00 C ATOM 795 OG SER A 78 2.609 15.257 -4.101 1.00 0.00 O ATOM 0 H SER A 78 0.612 14.995 -2.490 1.00 0.00 H new ATOM 0 HA SER A 78 0.261 16.083 -5.073 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.591 13.471 -4.221 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.836 14.293 -5.749 1.00 0.00 H new ATOM 0 HG SER A 78 3.480 14.818 -4.195 1.00 0.00 H new ATOM 801 N VAL A 79 -1.570 13.464 -4.415 1.00 0.00 N ATOM 802 CA VAL A 79 -2.696 12.689 -4.869 1.00 0.00 C ATOM 803 C VAL A 79 -3.937 13.540 -4.592 1.00 0.00 C ATOM 804 O VAL A 79 -4.482 13.518 -3.485 1.00 0.00 O ATOM 805 CB VAL A 79 -2.702 11.327 -4.157 1.00 0.00 C ATOM 806 CG1 VAL A 79 -3.681 10.403 -4.876 1.00 0.00 C ATOM 807 CG2 VAL A 79 -1.342 10.623 -4.123 1.00 0.00 C ATOM 0 H VAL A 79 -1.370 13.341 -3.422 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.659 12.458 -5.934 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.985 11.529 -3.124 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.695 9.432 -4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.680 10.839 -4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.368 10.277 -5.913 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.438 9.670 -3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.998 10.446 -5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.620 11.251 -3.600 1.00 0.00 H new ATOM 817 N ALA A 80 -4.372 14.323 -5.577 1.00 0.00 N ATOM 818 CA ALA A 80 -5.647 15.013 -5.494 1.00 0.00 C ATOM 819 C ALA A 80 -6.719 13.945 -5.264 1.00 0.00 C ATOM 820 O ALA A 80 -6.733 12.923 -5.952 1.00 0.00 O ATOM 821 CB ALA A 80 -5.897 15.797 -6.783 1.00 0.00 C ATOM 0 H ALA A 80 -3.856 14.492 -6.441 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.662 15.733 -4.676 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.855 16.313 -6.715 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.101 16.528 -6.925 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.914 15.110 -7.629 1.00 0.00 H new ATOM 827 N GLY A 81 -7.580 14.132 -4.265 1.00 0.00 N ATOM 828 CA GLY A 81 -8.582 13.133 -3.918 1.00 0.00 C ATOM 829 C GLY A 81 -8.069 12.075 -2.940 1.00 0.00 C ATOM 830 O GLY A 81 -8.815 11.153 -2.614 1.00 0.00 O ATOM 0 H GLY A 81 -7.601 14.969 -3.682 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.447 13.633 -3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.924 12.641 -4.828 1.00 0.00 H new ATOM 834 N MET A 82 -6.839 12.202 -2.426 1.00 0.00 N ATOM 835 CA MET A 82 -6.389 11.507 -1.219 1.00 0.00 C ATOM 836 C MET A 82 -6.548 12.394 0.001 1.00 0.00 C ATOM 837 O MET A 82 -6.988 11.924 1.045 1.00 0.00 O ATOM 838 CB MET A 82 -4.934 11.107 -1.343 1.00 0.00 C ATOM 839 CG MET A 82 -4.387 10.437 -0.079 1.00 0.00 C ATOM 840 SD MET A 82 -4.041 8.666 -0.065 1.00 0.00 S ATOM 841 CE MET A 82 -3.308 8.429 -1.699 1.00 0.00 C ATOM 0 H MET A 82 -6.123 12.797 -2.843 1.00 0.00 H new ATOM 0 HA MET A 82 -7.004 10.615 -1.104 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.821 10.426 -2.186 1.00 0.00 H new ATOM 0 HB3 MET A 82 -4.338 11.992 -1.566 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.461 10.949 0.183 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.098 10.633 0.724 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.507 7.693 -1.635 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.071 8.076 -2.392 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.903 9.376 -2.057 1.00 0.00 H new ATOM 851 N ASN A 83 -6.172 13.663 -0.129 1.00 0.00 N ATOM 852 CA ASN A 83 -6.021 14.706 0.885 1.00 0.00 C ATOM 853 C ASN A 83 -7.300 15.037 1.684 1.00 0.00 C ATOM 854 O ASN A 83 -7.341 16.041 2.397 1.00 0.00 O ATOM 855 CB ASN A 83 -5.423 15.943 0.184 1.00 0.00 C ATOM 856 CG ASN A 83 -6.266 16.456 -0.986 1.00 0.00 C ATOM 857 OD1 ASN A 83 -6.458 15.761 -1.982 1.00 0.00 O ATOM 858 ND2 ASN A 83 -6.795 17.656 -0.893 1.00 0.00 N ATOM 0 H ASN A 83 -5.939 14.028 -1.053 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.352 14.333 1.660 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.307 16.743 0.915 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.425 15.697 -0.179 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.372 18.019 -1.652 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.629 18.224 -0.062 1.00 0.00 H new ATOM 865 N LEU A 84 -8.336 14.203 1.589 1.00 0.00 N ATOM 866 CA LEU A 84 -9.666 14.289 2.170 1.00 0.00 C ATOM 867 C LEU A 84 -10.143 12.948 2.766 1.00 0.00 C ATOM 868 O LEU A 84 -11.192 12.926 3.407 1.00 0.00 O ATOM 869 CB LEU A 84 -10.704 14.789 1.147 1.00 0.00 C ATOM 870 CG LEU A 84 -10.527 14.348 -0.316 1.00 0.00 C ATOM 871 CD1 LEU A 84 -9.411 15.150 -0.983 1.00 0.00 C ATOM 872 CD2 LEU A 84 -10.314 12.837 -0.506 1.00 0.00 C ATOM 0 H LEU A 84 -8.246 13.351 1.035 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.584 15.012 2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.689 14.463 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.704 15.879 1.172 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.476 14.563 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.298 14.826 -2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.661 16.211 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.476 14.987 -0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.199 12.616 -1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.417 12.526 0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -11.176 12.296 -0.115 1.00 0.00 H new ATOM 884 N LEU A 85 -9.431 11.828 2.573 1.00 0.00 N ATOM 885 CA LEU A 85 -9.930 10.488 2.906 1.00 0.00 C ATOM 886 C LEU A 85 -9.802 10.268 4.408 1.00 0.00 C ATOM 887 O LEU A 85 -8.982 10.923 5.053 1.00 0.00 O ATOM 888 CB LEU A 85 -9.077 9.420 2.183 1.00 0.00 C ATOM 889 CG LEU A 85 -9.487 9.202 0.715 1.00 0.00 C ATOM 890 CD1 LEU A 85 -8.383 8.529 -0.105 1.00 0.00 C ATOM 891 CD2 LEU A 85 -10.728 8.309 0.635 1.00 0.00 C ATOM 0 H LEU A 85 -8.490 11.827 2.180 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.971 10.405 2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.029 9.717 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.160 8.475 2.720 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.686 10.192 0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.722 8.398 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.490 9.154 -0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.150 7.556 0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.005 8.164 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.511 7.343 1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.553 8.783 1.167 1.00 0.00 H new ATOM 903 N ALA A 86 -10.563 9.328 4.965 1.00 0.00 N ATOM 904 CA ALA A 86 -10.433 8.947 6.363 1.00 0.00 C ATOM 905 C ALA A 86 -9.052 8.343 6.648 1.00 0.00 C ATOM 906 O ALA A 86 -8.377 7.812 5.762 1.00 0.00 O ATOM 907 CB ALA A 86 -11.536 7.948 6.719 1.00 0.00 C ATOM 0 H ALA A 86 -11.283 8.813 4.459 1.00 0.00 H new ATOM 0 HA ALA A 86 -10.535 9.840 6.980 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.442 7.660 7.766 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.510 8.408 6.555 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.442 7.063 6.089 1.00 0.00 H new ATOM 913 N ASP A 87 -8.657 8.369 7.921 1.00 0.00 N ATOM 914 CA ASP A 87 -7.501 7.645 8.464 1.00 0.00 C ATOM 915 C ASP A 87 -7.793 6.141 8.593 1.00 0.00 C ATOM 916 O ASP A 87 -6.947 5.373 9.048 1.00 0.00 O ATOM 917 CB ASP A 87 -7.024 8.268 9.790 1.00 0.00 C ATOM 918 CG ASP A 87 -6.324 9.615 9.573 1.00 0.00 C ATOM 919 OD1 ASP A 87 -5.477 9.708 8.656 1.00 0.00 O ATOM 920 OD2 ASP A 87 -6.712 10.633 10.196 1.00 0.00 O ATOM 0 H ASP A 87 -9.149 8.913 8.630 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.678 7.744 7.756 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.878 8.406 10.454 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.341 7.580 10.288 1.00 0.00 H new ATOM 926 N ASP A 88 -8.994 5.719 8.197 1.00 0.00 N ATOM 927 CA ASP A 88 -9.439 4.349 7.998 1.00 0.00 C ATOM 928 C ASP A 88 -10.499 4.342 6.891 1.00 0.00 C ATOM 929 O ASP A 88 -11.674 4.052 7.112 1.00 0.00 O ATOM 930 CB ASP A 88 -9.933 3.729 9.309 1.00 0.00 C ATOM 931 CG ASP A 88 -10.544 2.338 9.107 1.00 0.00 C ATOM 932 OD1 ASP A 88 -10.190 1.626 8.141 1.00 0.00 O ATOM 933 OD2 ASP A 88 -11.349 1.915 9.972 1.00 0.00 O ATOM 0 H ASP A 88 -9.738 6.386 7.992 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.606 3.722 7.680 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.101 3.659 10.010 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -10.676 4.386 9.761 1.00 0.00 H new ATOM 939 N ALA A 89 -10.079 4.687 5.675 1.00 0.00 N ATOM 940 CA ALA A 89 -10.771 4.349 4.439 1.00 0.00 C ATOM 941 C ALA A 89 -9.730 3.709 3.538 1.00 0.00 C ATOM 942 O ALA A 89 -8.613 4.223 3.460 1.00 0.00 O ATOM 943 CB ALA A 89 -11.367 5.587 3.761 1.00 0.00 C ATOM 0 H ALA A 89 -9.225 5.223 5.522 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.607 3.679 4.642 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.874 5.290 2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -12.082 6.061 4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.570 6.291 3.524 1.00 0.00 H new ATOM 949 N CYS A 90 -10.093 2.616 2.866 1.00 0.00 N ATOM 950 CA CYS A 90 -9.233 1.985 1.881 1.00 0.00 C ATOM 951 C CYS A 90 -9.061 2.949 0.712 1.00 0.00 C ATOM 952 O CYS A 90 -10.011 3.201 -0.038 1.00 0.00 O ATOM 953 CB CYS A 90 -9.815 0.657 1.400 1.00 0.00 C ATOM 954 SG CYS A 90 -10.361 -0.462 2.702 1.00 0.00 S ATOM 0 H CYS A 90 -10.991 2.149 2.993 1.00 0.00 H new ATOM 0 HA CYS A 90 -8.267 1.763 2.334 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -10.661 0.866 0.745 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -9.064 0.147 0.797 1.00 0.00 H new ATOM 0 HG CYS A 90 -9.639 -1.543 2.676 1.00 0.00 H new ATOM 960 N VAL A 91 -7.875 3.521 0.591 1.00 0.00 N ATOM 961 CA VAL A 91 -7.441 4.294 -0.557 1.00 0.00 C ATOM 962 C VAL A 91 -7.261 3.308 -1.722 1.00 0.00 C ATOM 963 O VAL A 91 -6.660 2.254 -1.499 1.00 0.00 O ATOM 964 CB VAL A 91 -6.099 4.957 -0.186 1.00 0.00 C ATOM 965 CG1 VAL A 91 -5.599 5.879 -1.300 1.00 0.00 C ATOM 966 CG2 VAL A 91 -6.182 5.749 1.134 1.00 0.00 C ATOM 0 H VAL A 91 -7.162 3.456 1.318 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.155 5.067 -0.841 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.389 4.141 -0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.651 6.328 -1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.456 5.302 -2.213 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.333 6.665 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.212 6.197 1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.932 6.535 1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.461 5.076 1.945 1.00 0.00 H new ATOM 976 N PRO A 92 -7.684 3.621 -2.963 1.00 0.00 N ATOM 977 CA PRO A 92 -7.259 2.873 -4.132 1.00 0.00 C ATOM 978 C PRO A 92 -5.890 3.417 -4.533 1.00 0.00 C ATOM 979 O PRO A 92 -5.773 4.232 -5.453 1.00 0.00 O ATOM 980 CB PRO A 92 -8.324 3.121 -5.191 1.00 0.00 C ATOM 981 CG PRO A 92 -8.845 4.510 -4.851 1.00 0.00 C ATOM 982 CD PRO A 92 -8.400 4.807 -3.413 1.00 0.00 C ATOM 0 HA PRO A 92 -7.160 1.799 -3.973 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.906 3.084 -6.197 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.116 2.373 -5.147 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -8.445 5.253 -5.541 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.931 4.548 -4.936 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.759 5.688 -3.377 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.258 5.011 -2.773 1.00 0.00 H new ATOM 990 N LEU A 93 -4.859 3.032 -3.781 1.00 0.00 N ATOM 991 CA LEU A 93 -3.499 3.514 -3.959 1.00 0.00 C ATOM 992 C LEU A 93 -3.098 3.296 -5.410 1.00 0.00 C ATOM 993 O LEU A 93 -2.718 4.243 -6.092 1.00 0.00 O ATOM 994 CB LEU A 93 -2.574 2.771 -2.974 1.00 0.00 C ATOM 995 CG LEU A 93 -1.130 3.295 -2.870 1.00 0.00 C ATOM 996 CD1 LEU A 93 -0.307 3.219 -4.150 1.00 0.00 C ATOM 997 CD2 LEU A 93 -1.092 4.740 -2.386 1.00 0.00 C ATOM 0 H LEU A 93 -4.953 2.363 -3.017 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.419 4.580 -3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.026 2.812 -1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.537 1.721 -3.264 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.675 2.615 -2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.692 3.613 -3.964 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.233 2.181 -4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.791 3.808 -4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.057 5.076 -2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.638 5.373 -3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.554 4.806 -1.401 1.00 0.00 H new ATOM 1009 N THR A 94 -3.257 2.059 -5.865 1.00 0.00 N ATOM 1010 CA THR A 94 -2.847 1.536 -7.156 1.00 0.00 C ATOM 1011 C THR A 94 -3.643 2.103 -8.336 1.00 0.00 C ATOM 1012 O THR A 94 -3.301 1.808 -9.482 1.00 0.00 O ATOM 1013 CB THR A 94 -2.956 0.002 -7.069 1.00 0.00 C ATOM 1014 OG1 THR A 94 -4.144 -0.409 -6.405 1.00 0.00 O ATOM 1015 CG2 THR A 94 -1.819 -0.562 -6.222 1.00 0.00 C ATOM 0 H THR A 94 -3.710 1.344 -5.296 1.00 0.00 H new ATOM 0 HA THR A 94 -1.823 1.848 -7.362 1.00 0.00 H new ATOM 0 HB THR A 94 -2.935 -0.357 -8.098 1.00 0.00 H new ATOM 0 HG1 THR A 94 -4.178 -1.388 -6.371 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.908 -1.647 -6.169 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.863 -0.298 -6.674 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.872 -0.144 -5.217 1.00 0.00 H new ATOM 1023 N THR A 95 -4.696 2.894 -8.103 1.00 0.00 N ATOM 1024 CA THR A 95 -5.367 3.619 -9.169 1.00 0.00 C ATOM 1025 C THR A 95 -5.030 5.103 -9.058 1.00 0.00 C ATOM 1026 O THR A 95 -4.686 5.706 -10.077 1.00 0.00 O ATOM 1027 CB THR A 95 -6.869 3.317 -9.134 1.00 0.00 C ATOM 1028 OG1 THR A 95 -7.056 1.928 -9.322 1.00 0.00 O ATOM 1029 CG2 THR A 95 -7.645 4.053 -10.225 1.00 0.00 C ATOM 0 H THR A 95 -5.098 3.044 -7.178 1.00 0.00 H new ATOM 0 HA THR A 95 -5.016 3.292 -10.148 1.00 0.00 H new ATOM 0 HB THR A 95 -7.246 3.654 -8.168 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.014 1.721 -9.300 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.703 3.801 -10.152 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.518 5.128 -10.099 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.268 3.755 -11.203 1.00 0.00 H new ATOM 1037 N MET A 96 -5.127 5.696 -7.864 1.00 0.00 N ATOM 1038 CA MET A 96 -4.932 7.130 -7.711 1.00 0.00 C ATOM 1039 C MET A 96 -3.488 7.519 -8.028 1.00 0.00 C ATOM 1040 O MET A 96 -3.253 8.460 -8.789 1.00 0.00 O ATOM 1041 CB MET A 96 -5.330 7.606 -6.308 1.00 0.00 C ATOM 1042 CG MET A 96 -6.828 7.496 -6.061 1.00 0.00 C ATOM 1043 SD MET A 96 -7.583 8.860 -5.137 1.00 0.00 S ATOM 1044 CE MET A 96 -6.660 8.708 -3.593 1.00 0.00 C ATOM 0 H MET A 96 -5.339 5.203 -6.997 1.00 0.00 H new ATOM 0 HA MET A 96 -5.586 7.629 -8.426 1.00 0.00 H new ATOM 0 HB2 MET A 96 -4.797 7.016 -5.562 1.00 0.00 H new ATOM 0 HB3 MET A 96 -5.018 8.642 -6.177 1.00 0.00 H new ATOM 0 HG2 MET A 96 -7.330 7.415 -7.025 1.00 0.00 H new ATOM 0 HG3 MET A 96 -7.020 6.568 -5.522 1.00 0.00 H new ATOM 0 HE1 MET A 96 -7.318 8.928 -2.752 1.00 0.00 H new ATOM 0 HE2 MET A 96 -6.276 7.692 -3.497 1.00 0.00 H new ATOM 0 HE3 MET A 96 -5.828 9.412 -3.596 1.00 0.00 H new ATOM 1054 N VAL A 97 -2.525 6.809 -7.441 1.00 0.00 N ATOM 1055 CA VAL A 97 -1.117 6.934 -7.769 1.00 0.00 C ATOM 1056 C VAL A 97 -0.908 6.020 -8.973 1.00 0.00 C ATOM 1057 O VAL A 97 -1.123 4.811 -8.882 1.00 0.00 O ATOM 1058 CB VAL A 97 -0.243 6.523 -6.565 1.00 0.00 C ATOM 1059 CG1 VAL A 97 1.240 6.815 -6.814 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -0.636 7.261 -5.275 1.00 0.00 C ATOM 0 H VAL A 97 -2.711 6.120 -6.712 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.829 7.959 -8.003 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.410 5.452 -6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.822 6.512 -5.944 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.578 6.259 -7.688 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.377 7.882 -6.988 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.009 6.936 -4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.522 8.335 -5.421 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.674 7.036 -5.029 1.00 0.00 H new ATOM 1070 N GLN A 98 -0.535 6.599 -10.114 1.00 0.00 N ATOM 1071 CA GLN A 98 -0.120 5.809 -11.262 1.00 0.00 C ATOM 1072 C GLN A 98 1.178 5.066 -10.917 1.00 0.00 C ATOM 1073 O GLN A 98 1.903 5.478 -10.014 1.00 0.00 O ATOM 1074 CB GLN A 98 0.056 6.745 -12.468 1.00 0.00 C ATOM 1075 CG GLN A 98 0.018 5.947 -13.776 1.00 0.00 C ATOM 1076 CD GLN A 98 0.123 6.834 -15.006 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -0.674 7.749 -15.207 1.00 0.00 O ATOM 1078 NE2 GLN A 98 1.096 6.576 -15.858 1.00 0.00 N ATOM 0 H GLN A 98 -0.513 7.608 -10.263 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.873 5.063 -11.518 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.733 7.497 -12.471 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.004 7.278 -12.387 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.836 5.227 -13.781 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.910 5.377 -13.822 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.747 5.813 -15.673 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.198 7.140 -16.702 1.00 0.00 H new ATOM 1087 N ASP A 99 1.495 3.998 -11.655 1.00 0.00 N ATOM 1088 CA ASP A 99 2.743 3.214 -11.612 1.00 0.00 C ATOM 1089 C ASP A 99 2.844 2.306 -10.383 1.00 0.00 C ATOM 1090 O ASP A 99 3.461 1.240 -10.438 1.00 0.00 O ATOM 1091 CB ASP A 99 3.978 4.129 -11.657 1.00 0.00 C ATOM 1092 CG ASP A 99 5.165 3.453 -12.325 1.00 0.00 C ATOM 1093 OD1 ASP A 99 5.448 3.799 -13.495 1.00 0.00 O ATOM 1094 OD2 ASP A 99 5.902 2.689 -11.665 1.00 0.00 O ATOM 0 H ASP A 99 0.844 3.629 -12.348 1.00 0.00 H new ATOM 0 HA ASP A 99 2.716 2.579 -12.497 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.732 5.044 -12.196 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.250 4.420 -10.643 1.00 0.00 H new ATOM 1100 N ALA A 100 2.239 2.742 -9.280 1.00 0.00 N ATOM 1101 CA ALA A 100 2.213 2.084 -7.995 1.00 0.00 C ATOM 1102 C ALA A 100 1.442 0.777 -8.047 1.00 0.00 C ATOM 1103 O ALA A 100 0.436 0.633 -8.742 1.00 0.00 O ATOM 1104 CB ALA A 100 1.567 3.040 -6.994 1.00 0.00 C ATOM 0 H ALA A 100 1.723 3.622 -9.270 1.00 0.00 H new ATOM 0 HA ALA A 100 3.232 1.838 -7.695 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.533 2.570 -6.011 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.153 3.958 -6.937 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.554 3.276 -7.318 1.00 0.00 H new ATOM 1110 N THR A 101 1.911 -0.155 -7.232 1.00 0.00 N ATOM 1111 CA THR A 101 1.475 -1.546 -7.220 1.00 0.00 C ATOM 1112 C THR A 101 1.454 -2.044 -5.780 1.00 0.00 C ATOM 1113 O THR A 101 2.300 -1.611 -4.985 1.00 0.00 O ATOM 1114 CB THR A 101 2.419 -2.387 -8.095 1.00 0.00 C ATOM 1115 OG1 THR A 101 3.773 -2.127 -7.758 1.00 0.00 O ATOM 1116 CG2 THR A 101 2.194 -2.074 -9.576 1.00 0.00 C ATOM 0 H THR A 101 2.630 0.041 -6.536 1.00 0.00 H new ATOM 0 HA THR A 101 0.470 -1.636 -7.631 1.00 0.00 H new ATOM 0 HB THR A 101 2.202 -3.440 -7.913 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.361 -2.671 -8.323 1.00 0.00 H new ATOM 0 HG21 THR A 101 2.870 -2.677 -10.182 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.163 -2.304 -9.844 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.389 -1.017 -9.758 1.00 0.00 H new ATOM 1124 N ALA A 102 0.509 -2.918 -5.432 1.00 0.00 N ATOM 1125 CA ALA A 102 0.350 -3.499 -4.112 1.00 0.00 C ATOM 1126 C ALA A 102 0.411 -5.014 -4.249 1.00 0.00 C ATOM 1127 O ALA A 102 -0.619 -5.691 -4.336 1.00 0.00 O ATOM 1128 CB ALA A 102 -0.964 -3.017 -3.486 1.00 0.00 C ATOM 0 H ALA A 102 -0.192 -3.250 -6.094 1.00 0.00 H new ATOM 0 HA ALA A 102 1.150 -3.182 -3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -1.078 -3.457 -2.495 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.950 -1.930 -3.401 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.800 -3.321 -4.116 1.00 0.00 H new ATOM 1134 N HIS A 103 1.624 -5.557 -4.300 1.00 0.00 N ATOM 1135 CA HIS A 103 1.860 -6.980 -4.489 1.00 0.00 C ATOM 1136 C HIS A 103 2.158 -7.596 -3.120 1.00 0.00 C ATOM 1137 O HIS A 103 3.201 -7.337 -2.520 1.00 0.00 O ATOM 1138 CB HIS A 103 2.976 -7.180 -5.537 1.00 0.00 C ATOM 1139 CG HIS A 103 3.866 -8.392 -5.385 1.00 0.00 C ATOM 1140 ND1 HIS A 103 5.239 -8.378 -5.510 1.00 0.00 N ATOM 1141 CD2 HIS A 103 3.496 -9.675 -5.072 1.00 0.00 C ATOM 1142 CE1 HIS A 103 5.683 -9.618 -5.252 1.00 0.00 C ATOM 1143 NE2 HIS A 103 4.658 -10.445 -4.992 1.00 0.00 N ATOM 0 H HIS A 103 2.481 -5.011 -4.210 1.00 0.00 H new ATOM 0 HA HIS A 103 0.987 -7.496 -4.889 1.00 0.00 H new ATOM 0 HB2 HIS A 103 2.509 -7.227 -6.521 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.610 -6.293 -5.527 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.487 -10.027 -4.915 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.723 -9.910 -5.253 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.717 -11.441 -4.778 1.00 0.00 H new ATOM 1152 N LEU A 104 1.241 -8.422 -2.616 1.00 0.00 N ATOM 1153 CA LEU A 104 1.469 -9.227 -1.426 1.00 0.00 C ATOM 1154 C LEU A 104 2.308 -10.405 -1.902 1.00 0.00 C ATOM 1155 O LEU A 104 1.850 -11.184 -2.733 1.00 0.00 O ATOM 1156 CB LEU A 104 0.138 -9.690 -0.796 1.00 0.00 C ATOM 1157 CG LEU A 104 0.258 -10.981 0.044 1.00 0.00 C ATOM 1158 CD1 LEU A 104 0.682 -10.620 1.455 1.00 0.00 C ATOM 1159 CD2 LEU A 104 -0.914 -11.946 -0.168 1.00 0.00 C ATOM 0 H LEU A 104 0.316 -8.549 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 104 1.976 -8.663 -0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.250 -8.892 -0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.592 -9.851 -1.590 1.00 0.00 H new ATOM 0 HG LEU A 104 1.067 -11.619 -0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.768 -11.528 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.646 -10.111 1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.063 -9.961 1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.771 -12.833 0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.845 -11.454 0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.960 -12.238 -1.217 1.00 0.00 H new ATOM 1171 N ASP A 105 3.483 -10.549 -1.313 1.00 0.00 N ATOM 1172 CA ASP A 105 4.382 -11.678 -1.435 1.00 0.00 C ATOM 1173 C ASP A 105 4.299 -12.474 -0.131 1.00 0.00 C ATOM 1174 O ASP A 105 5.082 -12.225 0.790 1.00 0.00 O ATOM 1175 CB ASP A 105 5.810 -11.136 -1.608 1.00 0.00 C ATOM 1176 CG ASP A 105 6.858 -12.178 -1.981 1.00 0.00 C ATOM 1177 OD1 ASP A 105 8.034 -11.776 -2.154 1.00 0.00 O ATOM 1178 OD2 ASP A 105 6.527 -13.377 -2.098 1.00 0.00 O ATOM 0 H ASP A 105 3.857 -9.829 -0.695 1.00 0.00 H new ATOM 0 HA ASP A 105 4.120 -12.309 -2.284 1.00 0.00 H new ATOM 0 HB2 ASP A 105 5.798 -10.364 -2.378 1.00 0.00 H new ATOM 0 HB3 ASP A 105 6.114 -10.655 -0.679 1.00 0.00 H new ATOM 1184 N VAL A 106 3.367 -13.419 0.033 1.00 0.00 N ATOM 1185 CA VAL A 106 3.484 -14.325 1.194 1.00 0.00 C ATOM 1186 C VAL A 106 4.820 -15.072 1.127 1.00 0.00 C ATOM 1187 O VAL A 106 5.406 -15.357 2.170 1.00 0.00 O ATOM 1188 CB VAL A 106 2.278 -15.276 1.334 1.00 0.00 C ATOM 1189 CG1 VAL A 106 2.429 -16.285 2.485 1.00 0.00 C ATOM 1190 CG2 VAL A 106 1.041 -14.443 1.660 1.00 0.00 C ATOM 0 H VAL A 106 2.567 -13.578 -0.579 1.00 0.00 H new ATOM 0 HA VAL A 106 3.471 -13.722 2.102 1.00 0.00 H new ATOM 0 HB VAL A 106 2.203 -15.822 0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.546 -16.923 2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.313 -16.900 2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.534 -15.748 3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.177 -15.100 1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.201 -13.905 2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.861 -13.729 0.856 1.00 0.00 H new ATOM 1200 N GLY A 107 5.369 -15.262 -0.073 1.00 0.00 N ATOM 1201 CA GLY A 107 6.652 -15.890 -0.292 1.00 0.00 C ATOM 1202 C GLY A 107 7.860 -15.105 0.228 1.00 0.00 C ATOM 1203 O GLY A 107 8.988 -15.585 0.065 1.00 0.00 O ATOM 0 H GLY A 107 4.912 -14.971 -0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 107 6.644 -16.871 0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 107 6.780 -16.055 -1.362 1.00 0.00 H new ATOM 1207 N GLN A 108 7.666 -13.925 0.828 1.00 0.00 N ATOM 1208 CA GLN A 108 8.645 -13.312 1.722 1.00 0.00 C ATOM 1209 C GLN A 108 7.958 -12.565 2.876 1.00 0.00 C ATOM 1210 O GLN A 108 8.566 -11.687 3.485 1.00 0.00 O ATOM 1211 CB GLN A 108 9.575 -12.424 0.871 1.00 0.00 C ATOM 1212 CG GLN A 108 10.871 -11.945 1.542 1.00 0.00 C ATOM 1213 CD GLN A 108 11.652 -13.084 2.192 1.00 0.00 C ATOM 1214 OE1 GLN A 108 12.095 -14.026 1.536 1.00 0.00 O ATOM 1215 NE2 GLN A 108 11.810 -13.055 3.503 1.00 0.00 N ATOM 0 H GLN A 108 6.820 -13.369 0.704 1.00 0.00 H new ATOM 0 HA GLN A 108 9.254 -14.072 2.211 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.842 -12.976 -0.031 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.012 -11.547 0.553 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.501 -11.455 0.799 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.630 -11.198 2.298 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.442 -12.273 4.044 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.300 -13.815 3.975 1.00 0.00 H new ATOM 1224 N GLN A 109 6.684 -12.870 3.147 1.00 0.00 N ATOM 1225 CA GLN A 109 5.743 -12.066 3.921 1.00 0.00 C ATOM 1226 C GLN A 109 5.980 -10.562 3.704 1.00 0.00 C ATOM 1227 O GLN A 109 6.159 -9.789 4.642 1.00 0.00 O ATOM 1228 CB GLN A 109 5.681 -12.532 5.393 1.00 0.00 C ATOM 1229 CG GLN A 109 5.093 -13.955 5.480 1.00 0.00 C ATOM 1230 CD GLN A 109 4.561 -14.346 6.864 1.00 0.00 C ATOM 1231 OE1 GLN A 109 5.032 -15.300 7.475 1.00 0.00 O ATOM 1232 NE2 GLN A 109 3.548 -13.688 7.407 1.00 0.00 N ATOM 0 H GLN A 109 6.262 -13.735 2.811 1.00 0.00 H new ATOM 0 HA GLN A 109 4.733 -12.233 3.547 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.680 -12.517 5.829 1.00 0.00 H new ATOM 0 HB3 GLN A 109 5.069 -11.842 5.974 1.00 0.00 H new ATOM 0 HG2 GLN A 109 4.283 -14.043 4.756 1.00 0.00 H new ATOM 0 HG3 GLN A 109 5.862 -14.670 5.186 1.00 0.00 H new ATOM 0 HE21 GLN A 109 3.138 -12.891 6.920 1.00 0.00 H new ATOM 0 HE22 GLN A 109 3.178 -13.978 8.312 1.00 0.00 H new ATOM 1241 N ARG A 110 5.954 -10.135 2.437 1.00 0.00 N ATOM 1242 CA ARG A 110 6.352 -8.813 1.976 1.00 0.00 C ATOM 1243 C ARG A 110 5.195 -8.184 1.220 1.00 0.00 C ATOM 1244 O ARG A 110 4.899 -8.611 0.109 1.00 0.00 O ATOM 1245 CB ARG A 110 7.641 -8.949 1.151 1.00 0.00 C ATOM 1246 CG ARG A 110 8.338 -7.620 0.881 1.00 0.00 C ATOM 1247 CD ARG A 110 9.501 -7.863 -0.089 1.00 0.00 C ATOM 1248 NE ARG A 110 10.554 -6.839 0.012 1.00 0.00 N ATOM 1249 CZ ARG A 110 11.301 -6.387 -1.003 1.00 0.00 C ATOM 1250 NH1 ARG A 110 10.897 -6.529 -2.256 1.00 0.00 N ATOM 1251 NH2 ARG A 110 12.458 -5.785 -0.758 1.00 0.00 N ATOM 0 H ARG A 110 5.639 -10.735 1.674 1.00 0.00 H new ATOM 0 HA ARG A 110 6.578 -8.141 2.804 1.00 0.00 H new ATOM 0 HB2 ARG A 110 8.330 -9.611 1.676 1.00 0.00 H new ATOM 0 HB3 ARG A 110 7.405 -9.425 0.199 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.635 -6.904 0.456 1.00 0.00 H new ATOM 0 HG3 ARG A 110 8.706 -7.190 1.813 1.00 0.00 H new ATOM 0 HD2 ARG A 110 9.934 -8.843 0.109 1.00 0.00 H new ATOM 0 HD3 ARG A 110 9.118 -7.884 -1.109 1.00 0.00 H new ATOM 0 HE ARG A 110 10.729 -6.440 0.934 1.00 0.00 H new ATOM 0 HH11 ARG A 110 10.008 -6.987 -2.456 1.00 0.00 H new ATOM 0 HH12 ARG A 110 11.475 -6.180 -3.021 1.00 0.00 H new ATOM 0 HH21 ARG A 110 12.778 -5.667 0.203 1.00 0.00 H new ATOM 0 HH22 ARG A 110 13.027 -5.441 -1.531 1.00 0.00 H new ATOM 1265 N LEU A 111 4.501 -7.196 1.789 1.00 0.00 N ATOM 1266 CA LEU A 111 3.588 -6.393 0.985 1.00 0.00 C ATOM 1267 C LEU A 111 4.450 -5.383 0.244 1.00 0.00 C ATOM 1268 O LEU A 111 4.748 -4.310 0.768 1.00 0.00 O ATOM 1269 CB LEU A 111 2.447 -5.742 1.785 1.00 0.00 C ATOM 1270 CG LEU A 111 1.595 -4.755 0.961 1.00 0.00 C ATOM 1271 CD1 LEU A 111 1.015 -5.384 -0.315 1.00 0.00 C ATOM 1272 CD2 LEU A 111 0.427 -4.251 1.816 1.00 0.00 C ATOM 0 H LEU A 111 4.552 -6.940 2.775 1.00 0.00 H new ATOM 0 HA LEU A 111 3.049 -7.034 0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.800 -6.525 2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.870 -5.216 2.641 1.00 0.00 H new ATOM 0 HG LEU A 111 2.258 -3.942 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.426 -4.641 -0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.829 -5.731 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.379 -6.228 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.175 -3.553 1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.190 -5.095 2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.815 -3.745 2.700 1.00 0.00 H new ATOM 1284 N ASN A 112 4.895 -5.746 -0.953 1.00 0.00 N ATOM 1285 CA ASN A 112 5.557 -4.827 -1.860 1.00 0.00 C ATOM 1286 C ASN A 112 4.582 -3.703 -2.167 1.00 0.00 C ATOM 1287 O ASN A 112 3.386 -3.946 -2.362 1.00 0.00 O ATOM 1288 CB ASN A 112 5.972 -5.522 -3.159 1.00 0.00 C ATOM 1289 CG ASN A 112 7.068 -6.538 -2.927 1.00 0.00 C ATOM 1290 OD1 ASN A 112 8.236 -6.183 -2.850 1.00 0.00 O ATOM 1291 ND2 ASN A 112 6.731 -7.804 -2.789 1.00 0.00 N ATOM 0 H ASN A 112 4.804 -6.693 -1.320 1.00 0.00 H new ATOM 0 HA ASN A 112 6.465 -4.445 -1.393 1.00 0.00 H new ATOM 0 HB2 ASN A 112 5.106 -6.016 -3.600 1.00 0.00 H new ATOM 0 HB3 ASN A 112 6.314 -4.776 -3.877 1.00 0.00 H new ATOM 0 HD21 ASN A 112 7.449 -8.507 -2.615 1.00 0.00 H new ATOM 0 HD22 ASN A 112 5.752 -8.081 -2.856 1.00 0.00 H new ATOM 1298 N LEU A 113 5.089 -2.473 -2.156 1.00 0.00 N ATOM 1299 CA LEU A 113 4.265 -1.288 -2.260 1.00 0.00 C ATOM 1300 C LEU A 113 5.025 -0.228 -3.043 1.00 0.00 C ATOM 1301 O LEU A 113 5.668 0.642 -2.476 1.00 0.00 O ATOM 1302 CB LEU A 113 3.855 -0.861 -0.833 1.00 0.00 C ATOM 1303 CG LEU A 113 2.412 -0.353 -0.738 1.00 0.00 C ATOM 1304 CD1 LEU A 113 2.282 1.018 -1.402 1.00 0.00 C ATOM 1305 CD2 LEU A 113 1.376 -1.369 -1.252 1.00 0.00 C ATOM 0 H LEU A 113 6.087 -2.277 -2.074 1.00 0.00 H new ATOM 0 HA LEU A 113 3.342 -1.465 -2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.979 -1.709 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.531 -0.078 -0.488 1.00 0.00 H new ATOM 0 HG LEU A 113 2.178 -0.232 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 113 1.251 1.363 -1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.941 1.728 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.562 0.941 -2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.375 -0.948 -1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 113 1.577 -1.595 -2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 113 1.442 -2.285 -0.664 1.00 0.00 H new ATOM 1317 N THR A 114 5.050 -0.320 -4.362 1.00 0.00 N ATOM 1318 CA THR A 114 5.907 0.574 -5.129 1.00 0.00 C ATOM 1319 C THR A 114 5.117 1.851 -5.361 1.00 0.00 C ATOM 1320 O THR A 114 3.890 1.796 -5.441 1.00 0.00 O ATOM 1321 CB THR A 114 6.306 -0.121 -6.440 1.00 0.00 C ATOM 1322 OG1 THR A 114 6.911 -1.368 -6.128 1.00 0.00 O ATOM 1323 CG2 THR A 114 7.282 0.719 -7.263 1.00 0.00 C ATOM 0 H THR A 114 4.505 -0.983 -4.913 1.00 0.00 H new ATOM 0 HA THR A 114 6.832 0.820 -4.607 1.00 0.00 H new ATOM 0 HB THR A 114 5.405 -0.260 -7.038 1.00 0.00 H new ATOM 0 HG1 THR A 114 7.169 -1.823 -6.957 1.00 0.00 H new ATOM 0 HG21 THR A 114 7.536 0.188 -8.180 1.00 0.00 H new ATOM 0 HG22 THR A 114 6.819 1.674 -7.513 1.00 0.00 H new ATOM 0 HG23 THR A 114 8.188 0.896 -6.684 1.00 0.00 H new ATOM 1331 N ILE A 115 5.816 2.981 -5.470 1.00 0.00 N ATOM 1332 CA ILE A 115 5.265 4.297 -5.745 1.00 0.00 C ATOM 1333 C ILE A 115 6.312 5.051 -6.576 1.00 0.00 C ATOM 1334 O ILE A 115 7.508 4.877 -6.344 1.00 0.00 O ATOM 1335 CB ILE A 115 4.916 4.977 -4.389 1.00 0.00 C ATOM 1336 CG1 ILE A 115 3.553 4.450 -3.884 1.00 0.00 C ATOM 1337 CG2 ILE A 115 4.925 6.510 -4.416 1.00 0.00 C ATOM 1338 CD1 ILE A 115 2.976 5.138 -2.652 1.00 0.00 C ATOM 0 H ILE A 115 6.830 2.998 -5.363 1.00 0.00 H new ATOM 0 HA ILE A 115 4.339 4.272 -6.319 1.00 0.00 H new ATOM 0 HB ILE A 115 5.715 4.705 -3.700 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.830 4.539 -4.695 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.657 3.387 -3.665 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.670 6.893 -3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 115 5.917 6.863 -4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 115 4.194 6.865 -5.142 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.020 4.682 -2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.667 5.028 -1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 115 2.827 6.197 -2.863 1.00 0.00 H new ATOM 1350 N PRO A 116 5.893 5.938 -7.486 1.00 0.00 N ATOM 1351 CA PRO A 116 6.764 6.928 -8.102 1.00 0.00 C ATOM 1352 C PRO A 116 7.147 8.020 -7.086 1.00 0.00 C ATOM 1353 O PRO A 116 6.279 8.568 -6.404 1.00 0.00 O ATOM 1354 CB PRO A 116 5.944 7.480 -9.271 1.00 0.00 C ATOM 1355 CG PRO A 116 4.487 7.246 -8.891 1.00 0.00 C ATOM 1356 CD PRO A 116 4.536 6.013 -8.002 1.00 0.00 C ATOM 0 HA PRO A 116 7.711 6.511 -8.444 1.00 0.00 H new ATOM 0 HB2 PRO A 116 6.144 8.540 -9.425 1.00 0.00 H new ATOM 0 HB3 PRO A 116 6.194 6.970 -10.201 1.00 0.00 H new ATOM 0 HG2 PRO A 116 4.069 8.103 -8.363 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.866 7.080 -9.771 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.814 6.091 -7.189 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.284 5.116 -8.567 1.00 0.00 H new ATOM 1364 N GLN A 117 8.435 8.369 -6.961 1.00 0.00 N ATOM 1365 CA GLN A 117 8.946 9.408 -6.048 1.00 0.00 C ATOM 1366 C GLN A 117 8.328 10.793 -6.291 1.00 0.00 C ATOM 1367 O GLN A 117 8.424 11.660 -5.421 1.00 0.00 O ATOM 1368 CB GLN A 117 10.478 9.523 -6.131 1.00 0.00 C ATOM 1369 CG GLN A 117 11.247 8.396 -5.431 1.00 0.00 C ATOM 1370 CD GLN A 117 11.228 8.474 -3.902 1.00 0.00 C ATOM 1371 OE1 GLN A 117 11.505 9.504 -3.295 1.00 0.00 O ATOM 1372 NE2 GLN A 117 10.924 7.380 -3.226 1.00 0.00 N ATOM 0 H GLN A 117 9.174 7.925 -7.507 1.00 0.00 H new ATOM 0 HA GLN A 117 8.650 9.082 -5.051 1.00 0.00 H new ATOM 0 HB2 GLN A 117 10.770 9.545 -7.181 1.00 0.00 H new ATOM 0 HB3 GLN A 117 10.781 10.475 -5.696 1.00 0.00 H new ATOM 0 HG2 GLN A 117 10.826 7.439 -5.739 1.00 0.00 H new ATOM 0 HG3 GLN A 117 12.282 8.413 -5.771 1.00 0.00 H new ATOM 0 HE21 GLN A 117 10.693 6.520 -3.724 1.00 0.00 H new ATOM 0 HE22 GLN A 117 10.921 7.395 -2.206 1.00 0.00 H new ATOM 1381 N ALA A 118 7.652 11.006 -7.425 1.00 0.00 N ATOM 1382 CA ALA A 118 6.819 12.182 -7.647 1.00 0.00 C ATOM 1383 C ALA A 118 5.743 12.349 -6.560 1.00 0.00 C ATOM 1384 O ALA A 118 5.354 13.481 -6.277 1.00 0.00 O ATOM 1385 CB ALA A 118 6.180 12.091 -9.035 1.00 0.00 C ATOM 0 H ALA A 118 7.671 10.362 -8.215 1.00 0.00 H new ATOM 0 HA ALA A 118 7.455 13.065 -7.591 1.00 0.00 H new ATOM 0 HB1 ALA A 118 5.556 12.968 -9.206 1.00 0.00 H new ATOM 0 HB2 ALA A 118 6.962 12.048 -9.793 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.567 11.192 -9.095 1.00 0.00 H new ATOM 1391 N PHE A 119 5.294 11.261 -5.916 1.00 0.00 N ATOM 1392 CA PHE A 119 4.264 11.288 -4.881 1.00 0.00 C ATOM 1393 C PHE A 119 4.867 10.904 -3.530 1.00 0.00 C ATOM 1394 O PHE A 119 4.200 10.322 -2.671 1.00 0.00 O ATOM 1395 CB PHE A 119 3.180 10.289 -5.300 1.00 0.00 C ATOM 1396 CG PHE A 119 2.391 10.709 -6.519 1.00 0.00 C ATOM 1397 CD1 PHE A 119 2.904 10.508 -7.808 1.00 0.00 C ATOM 1398 CD2 PHE A 119 1.116 11.270 -6.365 1.00 0.00 C ATOM 1399 CE1 PHE A 119 2.104 10.770 -8.927 1.00 0.00 C ATOM 1400 CE2 PHE A 119 0.284 11.467 -7.480 1.00 0.00 C ATOM 1401 CZ PHE A 119 0.773 11.180 -8.764 1.00 0.00 C ATOM 0 H PHE A 119 5.647 10.323 -6.108 1.00 0.00 H new ATOM 0 HA PHE A 119 3.839 12.286 -4.775 1.00 0.00 H new ATOM 0 HB2 PHE A 119 3.647 9.324 -5.498 1.00 0.00 H new ATOM 0 HB3 PHE A 119 2.492 10.145 -4.467 1.00 0.00 H new ATOM 0 HD1 PHE A 119 3.915 10.151 -7.938 1.00 0.00 H new ATOM 0 HD2 PHE A 119 0.770 11.553 -5.382 1.00 0.00 H new ATOM 0 HE1 PHE A 119 2.514 10.656 -9.920 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.723 11.836 -7.350 1.00 0.00 H new ATOM 0 HZ PHE A 119 0.126 11.275 -9.624 1.00 0.00 H new ATOM 1411 N MET A 120 6.096 11.339 -3.279 1.00 0.00 N ATOM 1412 CA MET A 120 6.807 11.128 -2.037 1.00 0.00 C ATOM 1413 C MET A 120 7.263 12.498 -1.599 1.00 0.00 C ATOM 1414 O MET A 120 7.880 13.232 -2.375 1.00 0.00 O ATOM 1415 CB MET A 120 7.990 10.170 -2.238 1.00 0.00 C ATOM 1416 CG MET A 120 7.521 8.759 -2.598 1.00 0.00 C ATOM 1417 SD MET A 120 6.448 7.934 -1.389 1.00 0.00 S ATOM 1418 CE MET A 120 7.555 7.892 0.038 1.00 0.00 C ATOM 0 H MET A 120 6.639 11.866 -3.963 1.00 0.00 H new ATOM 0 HA MET A 120 6.177 10.662 -1.279 1.00 0.00 H new ATOM 0 HB2 MET A 120 8.637 10.551 -3.028 1.00 0.00 H new ATOM 0 HB3 MET A 120 8.588 10.134 -1.327 1.00 0.00 H new ATOM 0 HG2 MET A 120 6.991 8.807 -3.549 1.00 0.00 H new ATOM 0 HG3 MET A 120 8.401 8.136 -2.755 1.00 0.00 H new ATOM 0 HE1 MET A 120 7.099 7.306 0.835 1.00 0.00 H new ATOM 0 HE2 MET A 120 8.503 7.437 -0.250 1.00 0.00 H new ATOM 0 HE3 MET A 120 7.732 8.908 0.391 1.00 0.00 H new ATOM 1428 N SER A 121 6.982 12.830 -0.343 1.00 0.00 N ATOM 1429 CA SER A 121 7.342 14.112 0.265 1.00 0.00 C ATOM 1430 C SER A 121 8.850 14.164 0.608 1.00 0.00 C ATOM 1431 O SER A 121 9.266 14.637 1.671 1.00 0.00 O ATOM 1432 CB SER A 121 6.396 14.374 1.443 1.00 0.00 C ATOM 1433 OG SER A 121 6.393 15.744 1.791 1.00 0.00 O ATOM 0 H SER A 121 6.488 12.206 0.295 1.00 0.00 H new ATOM 0 HA SER A 121 7.205 14.934 -0.438 1.00 0.00 H new ATOM 0 HB2 SER A 121 5.386 14.059 1.181 1.00 0.00 H new ATOM 0 HB3 SER A 121 6.703 13.777 2.302 1.00 0.00 H new ATOM 0 HG SER A 121 5.782 15.889 2.543 1.00 0.00 H new ATOM 1439 N ASN A 122 9.683 13.675 -0.320 1.00 0.00 N ATOM 1440 CA ASN A 122 11.141 13.686 -0.360 1.00 0.00 C ATOM 1441 C ASN A 122 11.795 13.219 0.942 1.00 0.00 C ATOM 1442 O ASN A 122 12.855 13.725 1.331 1.00 0.00 O ATOM 1443 CB ASN A 122 11.632 15.051 -0.865 1.00 0.00 C ATOM 1444 CG ASN A 122 11.323 15.226 -2.346 1.00 0.00 C ATOM 1445 OD1 ASN A 122 11.788 14.450 -3.178 1.00 0.00 O ATOM 1446 ND2 ASN A 122 10.549 16.222 -2.732 1.00 0.00 N ATOM 0 H ASN A 122 9.305 13.214 -1.148 1.00 0.00 H new ATOM 0 HA ASN A 122 11.471 12.934 -1.077 1.00 0.00 H new ATOM 0 HB2 ASN A 122 11.156 15.847 -0.293 1.00 0.00 H new ATOM 0 HB3 ASN A 122 12.706 15.139 -0.701 1.00 0.00 H new ATOM 0 HD21 ASN A 122 10.336 16.348 -3.721 1.00 0.00 H new ATOM 0 HD22 ASN A 122 10.163 16.866 -2.041 1.00 0.00 H new ATOM 1453 N ARG A 123 11.181 12.247 1.618 1.00 0.00 N ATOM 1454 CA ARG A 123 11.710 11.589 2.811 1.00 0.00 C ATOM 1455 C ARG A 123 11.668 10.079 2.653 1.00 0.00 C ATOM 1456 O ARG A 123 12.649 9.404 2.987 1.00 0.00 O ATOM 1457 CB ARG A 123 10.869 12.001 4.032 1.00 0.00 C ATOM 1458 CG ARG A 123 11.301 13.342 4.619 1.00 0.00 C ATOM 1459 CD ARG A 123 12.505 13.117 5.532 1.00 0.00 C ATOM 1460 NE ARG A 123 13.403 14.280 5.590 1.00 0.00 N ATOM 1461 CZ ARG A 123 14.741 14.239 5.545 1.00 0.00 C ATOM 1462 NH1 ARG A 123 15.393 13.102 5.334 1.00 0.00 N ATOM 1463 NH2 ARG A 123 15.431 15.360 5.697 1.00 0.00 N ATOM 0 H ARG A 123 10.269 11.884 1.339 1.00 0.00 H new ATOM 0 HA ARG A 123 12.747 11.895 2.951 1.00 0.00 H new ATOM 0 HB2 ARG A 123 9.819 12.057 3.743 1.00 0.00 H new ATOM 0 HB3 ARG A 123 10.948 11.231 4.799 1.00 0.00 H new ATOM 0 HG2 ARG A 123 11.558 14.038 3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 123 10.481 13.790 5.180 1.00 0.00 H new ATOM 0 HD2 ARG A 123 12.154 12.885 6.537 1.00 0.00 H new ATOM 0 HD3 ARG A 123 13.064 12.250 5.181 1.00 0.00 H new ATOM 0 HE ARG A 123 12.969 15.199 5.672 1.00 0.00 H new ATOM 0 HH11 ARG A 123 14.874 12.234 5.202 1.00 0.00 H new ATOM 0 HH12 ARG A 123 16.413 13.097 5.304 1.00 0.00 H new ATOM 0 HH21 ARG A 123 14.943 16.243 5.847 1.00 0.00 H new ATOM 0 HH22 ARG A 123 16.450 15.340 5.664 1.00 0.00 H new ATOM 1477 N ALA A 124 10.528 9.564 2.195 1.00 0.00 N ATOM 1478 CA ALA A 124 10.078 8.207 2.455 1.00 0.00 C ATOM 1479 C ALA A 124 10.212 7.887 3.946 1.00 0.00 C ATOM 1480 O ALA A 124 10.872 6.931 4.349 1.00 0.00 O ATOM 1481 CB ALA A 124 10.796 7.243 1.523 1.00 0.00 C ATOM 0 H ALA A 124 9.878 10.098 1.618 1.00 0.00 H new ATOM 0 HA ALA A 124 9.017 8.096 2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 124 10.457 6.226 1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 124 10.575 7.505 0.488 1.00 0.00 H new ATOM 0 HB3 ALA A 124 11.871 7.306 1.692 1.00 0.00 H new ATOM 1487 N ARG A 125 9.607 8.755 4.757 1.00 0.00 N ATOM 1488 CA ARG A 125 9.386 8.595 6.179 1.00 0.00 C ATOM 1489 C ARG A 125 7.995 9.120 6.429 1.00 0.00 C ATOM 1490 O ARG A 125 7.705 10.219 5.900 1.00 0.00 O ATOM 1491 CB ARG A 125 10.382 9.381 7.022 1.00 0.00 C ATOM 1492 CG ARG A 125 11.779 8.767 7.032 1.00 0.00 C ATOM 1493 CD ARG A 125 12.760 9.773 7.616 1.00 0.00 C ATOM 1494 NE ARG A 125 12.315 10.361 8.898 1.00 0.00 N ATOM 1495 CZ ARG A 125 12.245 9.778 10.099 1.00 0.00 C ATOM 1496 NH1 ARG A 125 12.671 8.533 10.305 1.00 0.00 N ATOM 1497 NH2 ARG A 125 11.726 10.470 11.105 1.00 0.00 N ATOM 0 H ARG A 125 9.239 9.640 4.409 1.00 0.00 H new ATOM 0 HA ARG A 125 9.511 7.549 6.461 1.00 0.00 H new ATOM 0 HB2 ARG A 125 10.443 10.401 6.643 1.00 0.00 H new ATOM 0 HB3 ARG A 125 10.012 9.443 8.046 1.00 0.00 H new ATOM 0 HG2 ARG A 125 11.783 7.851 7.623 1.00 0.00 H new ATOM 0 HG3 ARG A 125 12.077 8.495 6.020 1.00 0.00 H new ATOM 0 HD2 ARG A 125 13.723 9.284 7.765 1.00 0.00 H new ATOM 0 HD3 ARG A 125 12.918 10.574 6.894 1.00 0.00 H new ATOM 0 HE ARG A 125 12.024 11.338 8.861 1.00 0.00 H new ATOM 0 HH11 ARG A 125 13.065 7.995 9.534 1.00 0.00 H new ATOM 0 HH12 ARG A 125 12.603 8.118 11.234 1.00 0.00 H new ATOM 0 HH21 ARG A 125 11.393 11.422 10.951 1.00 0.00 H new ATOM 0 HH22 ARG A 125 11.660 10.050 12.032 1.00 0.00 H new TER 1511 ARG A 125