USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 612 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 20 THR OG1 : rot -91:sc= 0.192 USER MOD Set 1.2: A 23 CYS SG : rot 178:sc= -0.681 USER MOD Single : A 1 MET CE :methyl 166:sc=-0.00638 (180deg=-0.157) USER MOD Single : A 1 MET N :NH3+ -174:sc= -1.89 (180deg=-2.06) USER MOD Single : A 5 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.194) USER MOD Single : A 8 GLN : amide:sc= -1.33 K(o=-1.3,f=-3.1!) USER MOD Single : A 9 SER OG : rot -105:sc= 1.13 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0801 K(o=-0.08,f=-1.8!) USER MOD Single : A 31 ASN : amide:sc= -0.267 K(o=-0.27,f=-1.1) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 180:sc= 0.0418 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.575 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc=-0.00688 X(o=-0.0069,f=-0.0026) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 171:sc= -2.72! USER MOD Single : A 59 THR OG1 : rot -83:sc= -1.34 USER MOD Single : A 62 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.46) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.289 K(o=-0.29,f=-1) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -53:sc= 0.85 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.631 7.530 -6.374 1.00 0.00 N ATOM 2 CA MET A 1 -4.356 6.287 -6.003 1.00 0.00 C ATOM 3 C MET A 1 -4.751 6.298 -4.530 1.00 0.00 C ATOM 4 O MET A 1 -4.574 7.299 -3.837 1.00 0.00 O ATOM 5 CB MET A 1 -3.452 5.088 -6.303 1.00 0.00 C ATOM 6 CG MET A 1 -3.997 4.174 -7.388 1.00 0.00 C ATOM 7 SD MET A 1 -4.975 2.810 -6.727 1.00 0.00 S ATOM 8 CE MET A 1 -6.606 3.240 -7.329 1.00 0.00 C ATOM 0 H1 MET A 1 -3.464 7.541 -7.400 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.201 8.358 -6.107 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.719 7.562 -5.875 1.00 0.00 H new ATOM 0 HA MET A 1 -5.274 6.219 -6.586 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.469 5.451 -6.604 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.312 4.511 -5.389 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.612 4.757 -8.073 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.167 3.772 -7.969 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.271 2.383 -7.222 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.998 4.078 -6.752 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.543 3.522 -8.380 1.00 0.00 H new ATOM 20 N ARG A 2 -5.288 5.177 -4.059 1.00 0.00 N ATOM 21 CA ARG A 2 -5.711 5.055 -2.668 1.00 0.00 C ATOM 22 C ARG A 2 -4.999 3.894 -1.982 1.00 0.00 C ATOM 23 O ARG A 2 -4.927 2.792 -2.524 1.00 0.00 O ATOM 24 CB ARG A 2 -7.226 4.857 -2.588 1.00 0.00 C ATOM 25 CG ARG A 2 -8.010 5.745 -3.542 1.00 0.00 C ATOM 26 CD ARG A 2 -7.790 7.219 -3.242 1.00 0.00 C ATOM 27 NE ARG A 2 -8.677 8.076 -4.025 1.00 0.00 N ATOM 28 CZ ARG A 2 -9.953 8.299 -3.720 1.00 0.00 C ATOM 29 NH1 ARG A 2 -10.497 7.730 -2.652 1.00 0.00 N ATOM 30 NH2 ARG A 2 -10.688 9.093 -4.487 1.00 0.00 N ATOM 0 H ARG A 2 -5.441 4.339 -4.621 1.00 0.00 H new ATOM 0 HA ARG A 2 -5.444 5.977 -2.152 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.459 3.814 -2.802 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -7.556 5.054 -1.568 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.709 5.533 -4.568 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -9.072 5.512 -3.467 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.955 7.401 -2.180 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.753 7.481 -3.453 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.296 8.530 -4.855 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -9.937 7.118 -2.059 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.476 7.905 -2.424 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.275 9.532 -5.310 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -11.666 9.264 -4.254 1.00 0.00 H new ATOM 44 N ILE A 3 -4.477 4.148 -0.785 1.00 0.00 N ATOM 45 CA ILE A 3 -3.768 3.126 -0.018 1.00 0.00 C ATOM 46 C ILE A 3 -4.539 1.808 0.017 1.00 0.00 C ATOM 47 O ILE A 3 -3.946 0.738 0.149 1.00 0.00 O ATOM 48 CB ILE A 3 -3.496 3.598 1.424 1.00 0.00 C ATOM 49 CG1 ILE A 3 -2.621 2.577 2.160 1.00 0.00 C ATOM 50 CG2 ILE A 3 -4.801 3.852 2.169 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.386 1.406 2.747 1.00 0.00 C ATOM 0 H ILE A 3 -4.532 5.056 -0.323 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.817 2.959 -0.525 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.954 4.543 1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.870 2.195 1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.087 3.086 2.962 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.582 4.184 3.184 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.372 4.622 1.651 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.384 2.932 2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.691 0.733 3.249 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.119 1.774 3.465 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.898 0.869 1.949 1.00 0.00 H new ATOM 63 N ASP A 4 -5.859 1.890 -0.107 1.00 0.00 N ATOM 64 CA ASP A 4 -6.697 0.699 -0.092 1.00 0.00 C ATOM 65 C ASP A 4 -6.395 -0.195 -1.291 1.00 0.00 C ATOM 66 O ASP A 4 -6.011 -1.349 -1.130 1.00 0.00 O ATOM 67 CB ASP A 4 -8.178 1.088 -0.088 1.00 0.00 C ATOM 68 CG ASP A 4 -9.095 -0.119 -0.049 1.00 0.00 C ATOM 69 OD1 ASP A 4 -9.031 -0.943 -0.985 1.00 0.00 O ATOM 70 OD2 ASP A 4 -9.876 -0.241 0.918 1.00 0.00 O ATOM 0 H ASP A 4 -6.370 2.766 -0.219 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.475 0.142 0.818 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.381 1.723 0.774 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.398 1.679 -0.977 1.00 0.00 H new ATOM 75 N LYS A 5 -6.581 0.343 -2.491 1.00 0.00 N ATOM 76 CA LYS A 5 -6.335 -0.412 -3.717 1.00 0.00 C ATOM 77 C LYS A 5 -4.895 -0.252 -4.211 1.00 0.00 C ATOM 78 O LYS A 5 -4.501 -0.878 -5.196 1.00 0.00 O ATOM 79 CB LYS A 5 -7.308 0.034 -4.810 1.00 0.00 C ATOM 80 CG LYS A 5 -8.625 -0.725 -4.800 1.00 0.00 C ATOM 81 CD LYS A 5 -8.653 -1.808 -5.867 1.00 0.00 C ATOM 82 CE LYS A 5 -10.064 -2.320 -6.103 1.00 0.00 C ATOM 83 NZ LYS A 5 -10.752 -2.661 -4.828 1.00 0.00 N ATOM 0 H LYS A 5 -6.901 1.299 -2.643 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.492 -1.466 -3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.511 1.098 -4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.832 -0.094 -5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.779 -1.175 -3.819 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.448 -0.030 -4.964 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.247 -1.413 -6.799 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.010 -2.635 -5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.640 -1.563 -6.635 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.028 -3.202 -6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.595 -3.234 -5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.105 -3.201 -4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.037 -1.786 -4.343 1.00 0.00 H new ATOM 97 N PHE A 6 -4.117 0.596 -3.544 1.00 0.00 N ATOM 98 CA PHE A 6 -2.735 0.839 -3.946 1.00 0.00 C ATOM 99 C PHE A 6 -1.824 -0.336 -3.602 1.00 0.00 C ATOM 100 O PHE A 6 -1.302 -1.008 -4.492 1.00 0.00 O ATOM 101 CB PHE A 6 -2.204 2.113 -3.286 1.00 0.00 C ATOM 102 CG PHE A 6 -0.896 2.584 -3.857 1.00 0.00 C ATOM 103 CD1 PHE A 6 -0.827 3.068 -5.153 1.00 0.00 C ATOM 104 CD2 PHE A 6 0.262 2.539 -3.098 1.00 0.00 C ATOM 105 CE1 PHE A 6 0.374 3.501 -5.682 1.00 0.00 C ATOM 106 CE2 PHE A 6 1.466 2.970 -3.623 1.00 0.00 C ATOM 107 CZ PHE A 6 1.523 3.452 -4.916 1.00 0.00 C ATOM 0 H PHE A 6 -4.419 1.125 -2.726 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.732 0.960 -5.029 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.945 2.905 -3.395 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -2.082 1.935 -2.218 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.722 3.107 -5.757 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.224 2.163 -2.086 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.415 3.877 -6.693 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.362 2.930 -3.022 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.463 3.790 -5.327 1.00 0.00 H new ATOM 117 N LEU A 7 -1.618 -0.569 -2.310 1.00 0.00 N ATOM 118 CA LEU A 7 -0.749 -1.651 -1.860 1.00 0.00 C ATOM 119 C LEU A 7 -1.463 -3.000 -1.862 1.00 0.00 C ATOM 120 O LEU A 7 -0.826 -4.045 -1.732 1.00 0.00 O ATOM 121 CB LEU A 7 -0.203 -1.340 -0.465 1.00 0.00 C ATOM 122 CG LEU A 7 -1.252 -1.235 0.644 1.00 0.00 C ATOM 123 CD1 LEU A 7 -1.682 -2.620 1.108 1.00 0.00 C ATOM 124 CD2 LEU A 7 -0.707 -0.423 1.810 1.00 0.00 C ATOM 0 H LEU A 7 -2.040 -0.025 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 7 0.079 -1.723 -2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.512 -2.116 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.348 -0.401 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.128 -0.723 0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.428 -2.524 1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.110 -3.168 0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.816 -3.160 1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.463 -0.356 2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.184 -0.910 2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.450 0.579 1.467 1.00 0.00 H new ATOM 136 N GLN A 8 -2.781 -2.980 -2.013 1.00 0.00 N ATOM 137 CA GLN A 8 -3.559 -4.213 -2.035 1.00 0.00 C ATOM 138 C GLN A 8 -3.700 -4.760 -3.455 1.00 0.00 C ATOM 139 O GLN A 8 -4.109 -5.904 -3.647 1.00 0.00 O ATOM 140 CB GLN A 8 -4.938 -3.975 -1.425 1.00 0.00 C ATOM 141 CG GLN A 8 -4.883 -3.489 0.014 1.00 0.00 C ATOM 142 CD GLN A 8 -6.244 -3.490 0.683 1.00 0.00 C ATOM 143 OE1 GLN A 8 -6.814 -2.434 0.956 1.00 0.00 O ATOM 144 NE2 GLN A 8 -6.769 -4.678 0.955 1.00 0.00 N ATOM 0 H GLN A 8 -3.332 -2.128 -2.122 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.026 -4.956 -1.441 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.473 -3.242 -2.029 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.511 -4.901 -1.467 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.203 -4.124 0.582 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.472 -2.480 0.037 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.261 -5.528 0.711 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.681 -4.741 1.408 1.00 0.00 H new ATOM 153 N SER A 9 -3.362 -3.939 -4.448 1.00 0.00 N ATOM 154 CA SER A 9 -3.456 -4.353 -5.844 1.00 0.00 C ATOM 155 C SER A 9 -2.077 -4.404 -6.500 1.00 0.00 C ATOM 156 O SER A 9 -1.956 -4.279 -7.719 1.00 0.00 O ATOM 157 CB SER A 9 -4.368 -3.399 -6.618 1.00 0.00 C ATOM 158 OG SER A 9 -3.652 -2.265 -7.076 1.00 0.00 O ATOM 0 H SER A 9 -3.022 -2.987 -4.311 1.00 0.00 H new ATOM 0 HA SER A 9 -3.882 -5.356 -5.869 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.809 -3.922 -7.467 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.191 -3.079 -5.979 1.00 0.00 H new ATOM 0 HG SER A 9 -3.879 -1.489 -6.522 1.00 0.00 H new ATOM 164 N VAL A 10 -1.043 -4.589 -5.686 1.00 0.00 N ATOM 165 CA VAL A 10 0.324 -4.657 -6.191 1.00 0.00 C ATOM 166 C VAL A 10 0.970 -5.992 -5.840 1.00 0.00 C ATOM 167 O VAL A 10 1.640 -6.606 -6.670 1.00 0.00 O ATOM 168 CB VAL A 10 1.190 -3.519 -5.621 1.00 0.00 C ATOM 169 CG1 VAL A 10 0.872 -2.204 -6.316 1.00 0.00 C ATOM 170 CG2 VAL A 10 0.993 -3.399 -4.118 1.00 0.00 C ATOM 0 H VAL A 10 -1.125 -4.694 -4.675 1.00 0.00 H new ATOM 0 HA VAL A 10 0.267 -4.554 -7.275 1.00 0.00 H new ATOM 0 HB VAL A 10 2.237 -3.756 -5.808 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.494 -1.412 -5.899 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.072 -2.299 -7.383 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.179 -1.957 -6.165 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.613 -2.589 -3.733 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.055 -3.187 -3.904 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.279 -4.335 -3.638 1.00 0.00 H new ATOM 180 N GLY A 11 0.765 -6.433 -4.604 1.00 0.00 N ATOM 181 CA GLY A 11 1.334 -7.691 -4.159 1.00 0.00 C ATOM 182 C GLY A 11 1.762 -7.649 -2.707 1.00 0.00 C ATOM 183 O GLY A 11 2.833 -8.143 -2.352 1.00 0.00 O ATOM 0 H GLY A 11 0.214 -5.941 -3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.602 -8.487 -4.296 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.194 -7.938 -4.782 1.00 0.00 H new ATOM 187 N LEU A 12 0.924 -7.055 -1.863 1.00 0.00 N ATOM 188 CA LEU A 12 1.217 -6.947 -0.441 1.00 0.00 C ATOM 189 C LEU A 12 0.093 -7.561 0.386 1.00 0.00 C ATOM 190 O LEU A 12 0.339 -8.322 1.322 1.00 0.00 O ATOM 191 CB LEU A 12 1.411 -5.478 -0.056 1.00 0.00 C ATOM 192 CG LEU A 12 2.857 -5.066 0.222 1.00 0.00 C ATOM 193 CD1 LEU A 12 2.938 -3.576 0.518 1.00 0.00 C ATOM 194 CD2 LEU A 12 3.427 -5.872 1.380 1.00 0.00 C ATOM 0 H LEU A 12 0.035 -6.641 -2.142 1.00 0.00 H new ATOM 0 HA LEU A 12 2.137 -7.494 -0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.020 -4.853 -0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.813 -5.269 0.831 1.00 0.00 H new ATOM 0 HG LEU A 12 3.452 -5.273 -0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.974 -3.300 0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.568 -3.014 -0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.330 -3.345 1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.457 -5.566 1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.830 -5.695 2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.403 -6.933 1.132 1.00 0.00 H new ATOM 206 N VAL A 13 -1.143 -7.226 0.030 1.00 0.00 N ATOM 207 CA VAL A 13 -2.310 -7.745 0.734 1.00 0.00 C ATOM 208 C VAL A 13 -3.212 -8.535 -0.210 1.00 0.00 C ATOM 209 O VAL A 13 -3.353 -8.190 -1.383 1.00 0.00 O ATOM 210 CB VAL A 13 -3.129 -6.609 1.376 1.00 0.00 C ATOM 211 CG1 VAL A 13 -4.236 -7.176 2.250 1.00 0.00 C ATOM 212 CG2 VAL A 13 -2.223 -5.688 2.179 1.00 0.00 C ATOM 0 H VAL A 13 -1.362 -6.597 -0.742 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.940 -8.405 1.519 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.591 -6.024 0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.803 -6.358 2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.900 -7.790 1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.799 -7.786 3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.818 -4.891 2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.731 -6.258 2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.470 -5.254 1.521 1.00 0.00 H new ATOM 337 N THR A 20 -12.647 -3.315 3.747 1.00 0.00 N ATOM 338 CA THR A 20 -11.344 -2.831 4.190 1.00 0.00 C ATOM 339 C THR A 20 -11.225 -2.895 5.709 1.00 0.00 C ATOM 340 O THR A 20 -11.945 -2.201 6.428 1.00 0.00 O ATOM 341 CB THR A 20 -11.117 -1.395 3.711 1.00 0.00 C ATOM 342 OG1 THR A 20 -10.031 -0.800 4.402 1.00 0.00 O ATOM 343 CG2 THR A 20 -12.325 -0.503 3.897 1.00 0.00 C ATOM 0 HA THR A 20 -10.581 -3.477 3.756 1.00 0.00 H new ATOM 0 HB THR A 20 -10.908 -1.477 2.644 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.364 -0.344 5.203 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.096 0.500 3.537 1.00 0.00 H new ATOM 0 HG22 THR A 20 -13.166 -0.907 3.334 1.00 0.00 H new ATOM 0 HG23 THR A 20 -12.585 -0.458 4.955 1.00 0.00 H new ATOM 351 N ASP A 21 -10.311 -3.730 6.192 1.00 0.00 N ATOM 352 CA ASP A 21 -10.095 -3.883 7.625 1.00 0.00 C ATOM 353 C ASP A 21 -8.813 -3.180 8.063 1.00 0.00 C ATOM 354 O ASP A 21 -8.659 -2.819 9.230 1.00 0.00 O ATOM 355 CB ASP A 21 -10.030 -5.366 7.998 1.00 0.00 C ATOM 356 CG ASP A 21 -11.401 -5.957 8.260 1.00 0.00 C ATOM 357 OD1 ASP A 21 -12.158 -5.369 9.060 1.00 0.00 O ATOM 358 OD2 ASP A 21 -11.718 -7.009 7.665 1.00 0.00 O ATOM 0 H ASP A 21 -9.708 -4.312 5.611 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.935 -3.421 8.143 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.547 -5.919 7.193 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.409 -5.488 8.886 1.00 0.00 H new ATOM 363 N MET A 22 -7.894 -2.992 7.119 1.00 0.00 N ATOM 364 CA MET A 22 -6.623 -2.334 7.406 1.00 0.00 C ATOM 365 C MET A 22 -6.843 -0.948 8.006 1.00 0.00 C ATOM 366 O MET A 22 -6.073 -0.500 8.854 1.00 0.00 O ATOM 367 CB MET A 22 -5.785 -2.223 6.130 1.00 0.00 C ATOM 368 CG MET A 22 -5.048 -3.503 5.775 1.00 0.00 C ATOM 369 SD MET A 22 -6.125 -4.742 5.031 1.00 0.00 S ATOM 370 CE MET A 22 -6.039 -6.045 6.257 1.00 0.00 C ATOM 0 H MET A 22 -8.006 -3.286 6.149 1.00 0.00 H new ATOM 0 HA MET A 22 -6.088 -2.941 8.136 1.00 0.00 H new ATOM 0 HB2 MET A 22 -6.436 -1.946 5.301 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.061 -1.417 6.250 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.237 -3.271 5.085 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.592 -3.917 6.675 1.00 0.00 H new ATOM 0 HE1 MET A 22 -6.656 -6.885 5.939 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.006 -6.375 6.366 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.403 -5.669 7.213 1.00 0.00 H new ATOM 380 N CYS A 23 -7.896 -0.272 7.558 1.00 0.00 N ATOM 381 CA CYS A 23 -8.211 1.064 8.052 1.00 0.00 C ATOM 382 C CYS A 23 -8.673 1.029 9.509 1.00 0.00 C ATOM 383 O CYS A 23 -8.748 2.065 10.168 1.00 0.00 O ATOM 384 CB CYS A 23 -9.283 1.718 7.175 1.00 0.00 C ATOM 385 SG CYS A 23 -10.927 0.980 7.335 1.00 0.00 S ATOM 0 H CYS A 23 -8.545 -0.626 6.855 1.00 0.00 H new ATOM 0 HA CYS A 23 -7.298 1.658 8.004 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.346 2.776 7.428 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.970 1.657 6.133 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.769 1.630 6.588 1.00 0.00 H new ATOM 391 N ASN A 24 -8.986 -0.166 10.007 1.00 0.00 N ATOM 392 CA ASN A 24 -9.442 -0.320 11.384 1.00 0.00 C ATOM 393 C ASN A 24 -8.352 -0.931 12.259 1.00 0.00 C ATOM 394 O ASN A 24 -8.041 -0.410 13.331 1.00 0.00 O ATOM 395 CB ASN A 24 -10.698 -1.193 11.431 1.00 0.00 C ATOM 396 CG ASN A 24 -11.551 -0.912 12.653 1.00 0.00 C ATOM 397 OD1 ASN A 24 -11.257 -0.007 13.434 1.00 0.00 O ATOM 398 ND2 ASN A 24 -12.614 -1.689 12.824 1.00 0.00 N ATOM 0 H ASN A 24 -8.932 -1.037 9.479 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.678 0.671 11.773 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -11.289 -1.023 10.531 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.407 -2.244 11.428 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -13.225 -1.547 13.628 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -12.820 -2.427 12.151 1.00 0.00 H new ATOM 405 N VAL A 25 -7.777 -2.038 11.800 1.00 0.00 N ATOM 406 CA VAL A 25 -6.725 -2.719 12.546 1.00 0.00 C ATOM 407 C VAL A 25 -5.567 -1.775 12.860 1.00 0.00 C ATOM 408 O VAL A 25 -4.940 -1.876 13.915 1.00 0.00 O ATOM 409 CB VAL A 25 -6.187 -3.939 11.773 1.00 0.00 C ATOM 410 CG1 VAL A 25 -7.299 -4.944 11.520 1.00 0.00 C ATOM 411 CG2 VAL A 25 -5.545 -3.504 10.462 1.00 0.00 C ATOM 0 H VAL A 25 -8.022 -2.482 10.915 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.172 -3.059 13.480 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.423 -4.421 12.382 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.900 -5.798 10.973 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.708 -5.282 12.472 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.088 -4.474 10.933 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.172 -4.380 9.932 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.286 -2.995 9.845 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.718 -2.826 10.670 1.00 0.00 H new ATOM 421 N GLY A 26 -5.289 -0.860 11.938 1.00 0.00 N ATOM 422 CA GLY A 26 -4.207 0.087 12.136 1.00 0.00 C ATOM 423 C GLY A 26 -2.972 -0.266 11.332 1.00 0.00 C ATOM 424 O GLY A 26 -1.865 -0.306 11.870 1.00 0.00 O ATOM 0 H GLY A 26 -5.793 -0.757 11.057 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.546 1.084 11.856 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.949 0.123 13.194 1.00 0.00 H new ATOM 428 N ALA A 27 -3.160 -0.523 10.042 1.00 0.00 N ATOM 429 CA ALA A 27 -2.053 -0.874 9.162 1.00 0.00 C ATOM 430 C ALA A 27 -1.729 0.270 8.207 1.00 0.00 C ATOM 431 O ALA A 27 -0.573 0.473 7.837 1.00 0.00 O ATOM 432 CB ALA A 27 -2.380 -2.141 8.384 1.00 0.00 C ATOM 0 H ALA A 27 -4.070 -0.495 9.583 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.173 -1.057 9.778 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.545 -2.392 7.730 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.555 -2.961 9.081 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.275 -1.978 7.783 1.00 0.00 H new ATOM 438 N VAL A 28 -2.755 1.013 7.812 1.00 0.00 N ATOM 439 CA VAL A 28 -2.576 2.137 6.900 1.00 0.00 C ATOM 440 C VAL A 28 -1.811 3.265 7.564 1.00 0.00 C ATOM 441 O VAL A 28 -2.189 3.740 8.635 1.00 0.00 O ATOM 442 CB VAL A 28 -3.925 2.688 6.408 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.797 3.106 7.582 1.00 0.00 C ATOM 444 CG2 VAL A 28 -3.718 3.851 5.447 1.00 0.00 C ATOM 0 H VAL A 28 -3.719 0.858 8.108 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.009 1.758 6.050 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.439 1.892 5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.746 3.493 7.211 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.982 2.244 8.223 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.289 3.881 8.155 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.686 4.224 5.113 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.177 4.650 5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.142 3.513 4.585 1.00 0.00 H new ATOM 454 N TRP A 29 -0.743 3.705 6.916 1.00 0.00 N ATOM 455 CA TRP A 29 0.055 4.791 7.447 1.00 0.00 C ATOM 456 C TRP A 29 0.605 5.657 6.320 1.00 0.00 C ATOM 457 O TRP A 29 1.593 5.306 5.675 1.00 0.00 O ATOM 458 CB TRP A 29 1.201 4.254 8.301 1.00 0.00 C ATOM 459 CG TRP A 29 0.796 3.915 9.703 1.00 0.00 C ATOM 460 CD1 TRP A 29 -0.049 2.918 10.092 1.00 0.00 C ATOM 461 CD2 TRP A 29 1.219 4.575 10.902 1.00 0.00 C ATOM 462 NE1 TRP A 29 -0.180 2.917 11.460 1.00 0.00 N ATOM 463 CE2 TRP A 29 0.590 3.925 11.980 1.00 0.00 C ATOM 464 CE3 TRP A 29 2.069 5.653 11.169 1.00 0.00 C ATOM 465 CZ2 TRP A 29 0.784 4.315 13.302 1.00 0.00 C ATOM 466 CZ3 TRP A 29 2.261 6.039 12.482 1.00 0.00 C ATOM 467 CH2 TRP A 29 1.622 5.372 13.534 1.00 0.00 C ATOM 0 H TRP A 29 -0.413 3.327 6.028 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.590 5.405 8.076 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.612 3.364 7.825 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.999 4.996 8.331 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -0.543 2.230 9.423 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.756 2.272 12.000 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.566 6.174 10.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.291 3.802 14.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.916 6.870 12.700 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.794 5.698 14.549 1.00 0.00 H new ATOM 478 N LEU A 30 -0.046 6.788 6.092 1.00 0.00 N ATOM 479 CA LEU A 30 0.367 7.713 5.043 1.00 0.00 C ATOM 480 C LEU A 30 1.289 8.792 5.601 1.00 0.00 C ATOM 481 O LEU A 30 0.886 9.589 6.448 1.00 0.00 O ATOM 482 CB LEU A 30 -0.858 8.358 4.392 1.00 0.00 C ATOM 483 CG LEU A 30 -0.645 8.851 2.961 1.00 0.00 C ATOM 484 CD1 LEU A 30 -1.959 8.844 2.195 1.00 0.00 C ATOM 485 CD2 LEU A 30 -0.035 10.244 2.963 1.00 0.00 C ATOM 0 H LEU A 30 -0.865 7.089 6.620 1.00 0.00 H new ATOM 0 HA LEU A 30 0.915 7.148 4.289 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.674 7.636 4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.176 9.200 5.007 1.00 0.00 H new ATOM 0 HG LEU A 30 0.048 8.174 2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.789 9.198 1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.357 7.830 2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.674 9.499 2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.110 10.579 1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.704 10.933 3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.927 10.219 3.476 1.00 0.00 H new ATOM 497 N ASN A 31 2.527 8.814 5.120 1.00 0.00 N ATOM 498 CA ASN A 31 3.506 9.797 5.570 1.00 0.00 C ATOM 499 C ASN A 31 3.756 9.667 7.069 1.00 0.00 C ATOM 500 O ASN A 31 3.771 10.660 7.796 1.00 0.00 O ATOM 501 CB ASN A 31 3.025 11.211 5.240 1.00 0.00 C ATOM 502 CG ASN A 31 4.098 12.256 5.474 1.00 0.00 C ATOM 503 OD1 ASN A 31 5.288 11.991 5.301 1.00 0.00 O ATOM 504 ND2 ASN A 31 3.683 13.454 5.869 1.00 0.00 N ATOM 0 H ASN A 31 2.877 8.162 4.418 1.00 0.00 H new ATOM 0 HA ASN A 31 4.444 9.609 5.047 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.705 11.249 4.199 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.153 11.447 5.850 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.360 14.197 6.041 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.687 13.631 6.000 1.00 0.00 H new ATOM 511 N GLY A 32 3.952 8.434 7.526 1.00 0.00 N ATOM 512 CA GLY A 32 4.198 8.196 8.936 1.00 0.00 C ATOM 513 C GLY A 32 3.029 8.613 9.807 1.00 0.00 C ATOM 514 O GLY A 32 3.218 9.130 10.907 1.00 0.00 O ATOM 0 H GLY A 32 3.945 7.596 6.945 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.404 7.137 9.092 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.089 8.743 9.244 1.00 0.00 H new ATOM 518 N SER A 33 1.817 8.387 9.311 1.00 0.00 N ATOM 519 CA SER A 33 0.610 8.742 10.049 1.00 0.00 C ATOM 520 C SER A 33 -0.567 7.876 9.612 1.00 0.00 C ATOM 521 O SER A 33 -0.783 7.659 8.420 1.00 0.00 O ATOM 522 CB SER A 33 0.277 10.220 9.840 1.00 0.00 C ATOM 523 OG SER A 33 -0.744 10.644 10.726 1.00 0.00 O ATOM 0 H SER A 33 1.644 7.960 8.401 1.00 0.00 H new ATOM 0 HA SER A 33 0.795 8.565 11.109 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.172 10.823 9.996 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.041 10.382 8.810 1.00 0.00 H new ATOM 0 HG SER A 33 -0.937 11.593 10.573 1.00 0.00 H new ATOM 529 N CYS A 34 -1.328 7.385 10.587 1.00 0.00 N ATOM 530 CA CYS A 34 -2.484 6.542 10.303 1.00 0.00 C ATOM 531 C CYS A 34 -3.491 7.276 9.423 1.00 0.00 C ATOM 532 O CYS A 34 -3.830 8.431 9.680 1.00 0.00 O ATOM 533 CB CYS A 34 -3.154 6.103 11.606 1.00 0.00 C ATOM 534 SG CYS A 34 -3.495 7.458 12.754 1.00 0.00 S ATOM 0 H CYS A 34 -1.164 7.557 11.579 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.135 5.660 9.766 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.090 5.598 11.368 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.515 5.373 12.102 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.064 6.987 13.824 1.00 0.00 H new ATOM 540 N ALA A 35 -3.966 6.596 8.384 1.00 0.00 N ATOM 541 CA ALA A 35 -4.934 7.182 7.466 1.00 0.00 C ATOM 542 C ALA A 35 -6.247 6.405 7.482 1.00 0.00 C ATOM 543 O ALA A 35 -6.443 5.515 8.309 1.00 0.00 O ATOM 544 CB ALA A 35 -4.361 7.227 6.056 1.00 0.00 C ATOM 0 H ALA A 35 -3.696 5.639 8.158 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.142 8.200 7.796 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.094 7.667 5.379 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.454 7.831 6.051 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.125 6.215 5.727 1.00 0.00 H new ATOM 550 N LYS A 36 -7.143 6.747 6.562 1.00 0.00 N ATOM 551 CA LYS A 36 -8.436 6.081 6.469 1.00 0.00 C ATOM 552 C LYS A 36 -8.475 5.143 5.266 1.00 0.00 C ATOM 553 O LYS A 36 -7.442 4.848 4.665 1.00 0.00 O ATOM 554 CB LYS A 36 -9.558 7.117 6.363 1.00 0.00 C ATOM 555 CG LYS A 36 -10.813 6.735 7.132 1.00 0.00 C ATOM 556 CD LYS A 36 -11.220 7.821 8.116 1.00 0.00 C ATOM 557 CE LYS A 36 -10.609 7.587 9.488 1.00 0.00 C ATOM 558 NZ LYS A 36 -11.593 7.820 10.581 1.00 0.00 N ATOM 0 H LYS A 36 -6.997 7.482 5.870 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.583 5.490 7.373 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.193 8.075 6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.814 7.257 5.313 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.628 6.554 6.432 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.641 5.802 7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.905 8.793 7.737 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.306 7.849 8.200 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.234 6.565 9.549 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.754 8.249 9.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.137 7.650 11.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.932 8.802 10.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.398 7.171 10.468 1.00 0.00 H new ATOM 572 N ALA A 37 -9.671 4.678 4.921 1.00 0.00 N ATOM 573 CA ALA A 37 -9.838 3.775 3.790 1.00 0.00 C ATOM 574 C ALA A 37 -10.270 4.533 2.539 1.00 0.00 C ATOM 575 O ALA A 37 -10.922 3.974 1.657 1.00 0.00 O ATOM 576 CB ALA A 37 -10.848 2.689 4.129 1.00 0.00 C ATOM 0 H ALA A 37 -10.537 4.911 5.408 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.875 3.309 3.583 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.964 2.021 3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.496 2.121 4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.809 3.146 4.365 1.00 0.00 H new ATOM 582 N SER A 38 -9.902 5.808 2.467 1.00 0.00 N ATOM 583 CA SER A 38 -10.249 6.641 1.323 1.00 0.00 C ATOM 584 C SER A 38 -9.326 7.852 1.229 1.00 0.00 C ATOM 585 O SER A 38 -9.717 8.907 0.729 1.00 0.00 O ATOM 586 CB SER A 38 -11.705 7.102 1.423 1.00 0.00 C ATOM 587 OG SER A 38 -12.463 6.226 2.238 1.00 0.00 O ATOM 0 H SER A 38 -9.363 6.287 3.189 1.00 0.00 H new ATOM 0 HA SER A 38 -10.125 6.042 0.421 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.743 8.111 1.835 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.144 7.148 0.427 1.00 0.00 H new ATOM 0 HG SER A 38 -13.389 6.544 2.287 1.00 0.00 H new ATOM 593 N LYS A 39 -8.098 7.693 1.713 1.00 0.00 N ATOM 594 CA LYS A 39 -7.119 8.774 1.683 1.00 0.00 C ATOM 595 C LYS A 39 -6.151 8.597 0.517 1.00 0.00 C ATOM 596 O LYS A 39 -5.251 7.758 0.567 1.00 0.00 O ATOM 597 CB LYS A 39 -6.344 8.829 3.002 1.00 0.00 C ATOM 598 CG LYS A 39 -6.031 10.245 3.462 1.00 0.00 C ATOM 599 CD LYS A 39 -4.584 10.382 3.908 1.00 0.00 C ATOM 600 CE LYS A 39 -4.444 11.378 5.048 1.00 0.00 C ATOM 601 NZ LYS A 39 -3.151 12.115 4.987 1.00 0.00 N ATOM 0 H LYS A 39 -7.757 6.827 2.130 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.656 9.713 1.548 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.922 8.323 3.775 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.411 8.277 2.889 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.230 10.944 2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.693 10.516 4.285 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.206 9.410 4.224 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.971 10.703 3.066 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.269 12.089 5.012 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.518 10.853 6.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.095 12.784 5.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.363 11.439 5.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.091 12.637 4.090 1.00 0.00 H new ATOM 615 N GLU A 40 -6.345 9.390 -0.533 1.00 0.00 N ATOM 616 CA GLU A 40 -5.491 9.318 -1.713 1.00 0.00 C ATOM 617 C GLU A 40 -4.033 9.580 -1.349 1.00 0.00 C ATOM 618 O GLU A 40 -3.709 10.594 -0.730 1.00 0.00 O ATOM 619 CB GLU A 40 -5.956 10.327 -2.765 1.00 0.00 C ATOM 620 CG GLU A 40 -6.087 11.744 -2.234 1.00 0.00 C ATOM 621 CD GLU A 40 -5.570 12.783 -3.210 1.00 0.00 C ATOM 622 OE1 GLU A 40 -6.082 12.834 -4.348 1.00 0.00 O ATOM 623 OE2 GLU A 40 -4.654 13.545 -2.837 1.00 0.00 O ATOM 0 H GLU A 40 -7.086 10.089 -0.590 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.567 8.312 -2.125 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.251 10.323 -3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.919 10.007 -3.163 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.134 11.949 -2.012 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.539 11.828 -1.295 1.00 0.00 H new ATOM 630 N VAL A 41 -3.158 8.659 -1.740 1.00 0.00 N ATOM 631 CA VAL A 41 -1.734 8.789 -1.457 1.00 0.00 C ATOM 632 C VAL A 41 -1.057 9.717 -2.460 1.00 0.00 C ATOM 633 O VAL A 41 -1.699 10.229 -3.377 1.00 0.00 O ATOM 634 CB VAL A 41 -1.028 7.420 -1.483 1.00 0.00 C ATOM 635 CG1 VAL A 41 -1.511 6.547 -0.335 1.00 0.00 C ATOM 636 CG2 VAL A 41 -1.256 6.729 -2.819 1.00 0.00 C ATOM 0 H VAL A 41 -3.411 7.815 -2.254 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.648 9.214 -0.457 1.00 0.00 H new ATOM 0 HB VAL A 41 0.043 7.581 -1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.001 5.584 -0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.293 7.039 0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.586 6.391 -0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.750 5.763 -2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.325 6.579 -2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.857 7.349 -3.622 1.00 0.00 H new ATOM 646 N LYS A 42 0.243 9.927 -2.282 1.00 0.00 N ATOM 647 CA LYS A 42 1.005 10.793 -3.173 1.00 0.00 C ATOM 648 C LYS A 42 2.376 10.194 -3.473 1.00 0.00 C ATOM 649 O LYS A 42 2.866 9.340 -2.734 1.00 0.00 O ATOM 650 CB LYS A 42 1.168 12.182 -2.552 1.00 0.00 C ATOM 651 CG LYS A 42 -0.024 13.097 -2.788 1.00 0.00 C ATOM 652 CD LYS A 42 -0.507 13.733 -1.494 1.00 0.00 C ATOM 653 CE LYS A 42 -1.216 12.722 -0.607 1.00 0.00 C ATOM 654 NZ LYS A 42 -0.924 12.947 0.835 1.00 0.00 N ATOM 0 H LYS A 42 0.790 9.509 -1.529 1.00 0.00 H new ATOM 0 HA LYS A 42 0.455 10.883 -4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.327 12.075 -1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.063 12.651 -2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.251 13.878 -3.497 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.836 12.528 -3.240 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.341 14.158 -0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.184 14.556 -1.722 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.291 12.784 -0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.908 11.715 -0.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.426 12.237 1.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.099 12.862 0.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.241 13.899 1.109 1.00 0.00 H new ATOM 668 N ALA A 43 2.988 10.647 -4.562 1.00 0.00 N ATOM 669 CA ALA A 43 4.302 10.156 -4.958 1.00 0.00 C ATOM 670 C ALA A 43 5.361 10.523 -3.925 1.00 0.00 C ATOM 671 O ALA A 43 5.296 11.583 -3.303 1.00 0.00 O ATOM 672 CB ALA A 43 4.682 10.710 -6.324 1.00 0.00 C ATOM 0 H ALA A 43 2.595 11.353 -5.185 1.00 0.00 H new ATOM 0 HA ALA A 43 4.252 9.069 -5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.666 10.335 -6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.946 10.393 -7.063 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.707 11.799 -6.281 1.00 0.00 H new ATOM 678 N GLY A 44 6.335 9.638 -3.746 1.00 0.00 N ATOM 679 CA GLY A 44 7.395 9.884 -2.787 1.00 0.00 C ATOM 680 C GLY A 44 6.900 9.859 -1.354 1.00 0.00 C ATOM 681 O GLY A 44 7.498 10.478 -0.473 1.00 0.00 O ATOM 0 H GLY A 44 6.409 8.754 -4.249 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.175 9.133 -2.912 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.850 10.853 -2.994 1.00 0.00 H new ATOM 685 N ASP A 45 5.807 9.141 -1.118 1.00 0.00 N ATOM 686 CA ASP A 45 5.233 9.037 0.219 1.00 0.00 C ATOM 687 C ASP A 45 5.699 7.758 0.908 1.00 0.00 C ATOM 688 O ASP A 45 6.286 6.882 0.276 1.00 0.00 O ATOM 689 CB ASP A 45 3.705 9.063 0.147 1.00 0.00 C ATOM 690 CG ASP A 45 3.157 10.473 0.037 1.00 0.00 C ATOM 691 OD1 ASP A 45 3.332 11.096 -1.031 1.00 0.00 O ATOM 692 OD2 ASP A 45 2.552 10.953 1.019 1.00 0.00 O ATOM 0 H ASP A 45 5.301 8.622 -1.835 1.00 0.00 H new ATOM 0 HA ASP A 45 5.575 9.892 0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.374 8.479 -0.712 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.294 8.584 1.036 1.00 0.00 H new ATOM 697 N THR A 46 5.434 7.659 2.207 1.00 0.00 N ATOM 698 CA THR A 46 5.828 6.487 2.980 1.00 0.00 C ATOM 699 C THR A 46 4.608 5.667 3.389 1.00 0.00 C ATOM 700 O THR A 46 3.767 6.130 4.160 1.00 0.00 O ATOM 701 CB THR A 46 6.611 6.912 4.223 1.00 0.00 C ATOM 702 OG1 THR A 46 7.763 7.654 3.861 1.00 0.00 O ATOM 703 CG2 THR A 46 7.065 5.746 5.073 1.00 0.00 C ATOM 0 H THR A 46 4.948 8.376 2.746 1.00 0.00 H new ATOM 0 HA THR A 46 6.465 5.865 2.351 1.00 0.00 H new ATOM 0 HB THR A 46 5.918 7.518 4.807 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.249 7.918 4.670 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.614 6.118 5.938 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.196 5.182 5.411 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.713 5.097 4.484 1.00 0.00 H new ATOM 711 N ILE A 47 4.518 4.448 2.868 1.00 0.00 N ATOM 712 CA ILE A 47 3.400 3.564 3.178 1.00 0.00 C ATOM 713 C ILE A 47 3.804 2.495 4.188 1.00 0.00 C ATOM 714 O ILE A 47 4.506 1.542 3.850 1.00 0.00 O ATOM 715 CB ILE A 47 2.860 2.874 1.911 1.00 0.00 C ATOM 716 CG1 ILE A 47 2.570 3.912 0.825 1.00 0.00 C ATOM 717 CG2 ILE A 47 1.609 2.069 2.238 1.00 0.00 C ATOM 718 CD1 ILE A 47 1.928 3.332 -0.418 1.00 0.00 C ATOM 0 H ILE A 47 5.206 4.049 2.229 1.00 0.00 H new ATOM 0 HA ILE A 47 2.616 4.189 3.607 1.00 0.00 H new ATOM 0 HB ILE A 47 3.618 2.187 1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.916 4.681 1.236 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.502 4.403 0.546 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.239 1.587 1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.849 1.309 2.981 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.842 2.734 2.634 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.753 4.128 -1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.590 2.584 -0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.979 2.866 -0.154 1.00 0.00 H new ATOM 730 N SER A 48 3.352 2.654 5.426 1.00 0.00 N ATOM 731 CA SER A 48 3.661 1.696 6.481 1.00 0.00 C ATOM 732 C SER A 48 2.548 0.660 6.610 1.00 0.00 C ATOM 733 O SER A 48 1.413 0.901 6.201 1.00 0.00 O ATOM 734 CB SER A 48 3.866 2.418 7.815 1.00 0.00 C ATOM 735 OG SER A 48 5.089 2.036 8.420 1.00 0.00 O ATOM 0 H SER A 48 2.770 3.437 5.724 1.00 0.00 H new ATOM 0 HA SER A 48 4.584 1.182 6.215 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.858 3.496 7.653 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.038 2.190 8.486 1.00 0.00 H new ATOM 0 HG SER A 48 5.197 2.513 9.270 1.00 0.00 H new ATOM 741 N LEU A 49 2.881 -0.495 7.177 1.00 0.00 N ATOM 742 CA LEU A 49 1.907 -1.565 7.354 1.00 0.00 C ATOM 743 C LEU A 49 2.111 -2.273 8.690 1.00 0.00 C ATOM 744 O LEU A 49 3.242 -2.537 9.097 1.00 0.00 O ATOM 745 CB LEU A 49 2.012 -2.574 6.208 1.00 0.00 C ATOM 746 CG LEU A 49 1.138 -2.265 4.991 1.00 0.00 C ATOM 747 CD1 LEU A 49 1.919 -1.461 3.962 1.00 0.00 C ATOM 748 CD2 LEU A 49 0.607 -3.553 4.376 1.00 0.00 C ATOM 0 H LEU A 49 3.816 -0.713 7.521 1.00 0.00 H new ATOM 0 HA LEU A 49 0.912 -1.120 7.348 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.052 -2.627 5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.745 -3.560 6.587 1.00 0.00 H new ATOM 0 HG LEU A 49 0.289 -1.666 5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.281 -1.251 3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.249 -0.522 4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.788 -2.033 3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.013 -3.315 3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.443 -4.178 4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.010 -4.089 5.114 1.00 0.00 H new ATOM 760 N HIS A 50 1.008 -2.577 9.365 1.00 0.00 N ATOM 761 CA HIS A 50 1.065 -3.256 10.654 1.00 0.00 C ATOM 762 C HIS A 50 0.762 -4.743 10.500 1.00 0.00 C ATOM 763 O HIS A 50 -0.156 -5.128 9.776 1.00 0.00 O ATOM 764 CB HIS A 50 0.076 -2.622 11.634 1.00 0.00 C ATOM 765 CG HIS A 50 0.290 -3.043 13.054 1.00 0.00 C ATOM 766 ND1 HIS A 50 -0.727 -3.504 13.864 1.00 0.00 N ATOM 767 CD2 HIS A 50 1.413 -3.074 13.811 1.00 0.00 C ATOM 768 CE1 HIS A 50 -0.239 -3.800 15.056 1.00 0.00 C ATOM 769 NE2 HIS A 50 1.057 -3.548 15.050 1.00 0.00 N ATOM 0 H HIS A 50 0.064 -2.364 9.041 1.00 0.00 H new ATOM 0 HA HIS A 50 2.076 -3.148 11.048 1.00 0.00 H new ATOM 0 HB2 HIS A 50 0.157 -1.537 11.569 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.939 -2.884 11.335 1.00 0.00 H new ATOM 0 HD2 HIS A 50 2.404 -2.780 13.498 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -0.804 -4.183 15.893 1.00 0.00 H new ATOM 0 HE2 HIS A 50 1.691 -3.683 15.838 1.00 0.00 H new ATOM 778 N TYR A 51 1.540 -5.574 11.187 1.00 0.00 N ATOM 779 CA TYR A 51 1.355 -7.020 11.127 1.00 0.00 C ATOM 780 C TYR A 51 1.578 -7.654 12.497 1.00 0.00 C ATOM 781 O TYR A 51 1.847 -6.959 13.477 1.00 0.00 O ATOM 782 CB TYR A 51 2.315 -7.636 10.106 1.00 0.00 C ATOM 783 CG TYR A 51 1.797 -7.595 8.686 1.00 0.00 C ATOM 784 CD1 TYR A 51 1.825 -6.418 7.950 1.00 0.00 C ATOM 785 CD2 TYR A 51 1.282 -8.736 8.081 1.00 0.00 C ATOM 786 CE1 TYR A 51 1.353 -6.376 6.651 1.00 0.00 C ATOM 787 CE2 TYR A 51 0.809 -8.702 6.783 1.00 0.00 C ATOM 788 CZ TYR A 51 0.847 -7.521 6.073 1.00 0.00 C ATOM 789 OH TYR A 51 0.376 -7.485 4.780 1.00 0.00 O ATOM 0 H TYR A 51 2.304 -5.271 11.791 1.00 0.00 H new ATOM 0 HA TYR A 51 0.329 -7.217 10.817 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.268 -7.109 10.152 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.511 -8.672 10.383 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.222 -5.520 8.400 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.251 -9.663 8.634 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.381 -5.452 6.093 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.411 -9.597 6.327 1.00 0.00 H new ATOM 0 HH TYR A 51 0.056 -8.375 4.524 1.00 0.00 H new ATOM 799 N LEU A 52 1.464 -8.976 12.557 1.00 0.00 N ATOM 800 CA LEU A 52 1.654 -9.703 13.807 1.00 0.00 C ATOM 801 C LEU A 52 3.126 -10.035 14.026 1.00 0.00 C ATOM 802 O LEU A 52 3.585 -10.145 15.163 1.00 0.00 O ATOM 803 CB LEU A 52 0.823 -10.988 13.807 1.00 0.00 C ATOM 804 CG LEU A 52 0.910 -11.818 12.525 1.00 0.00 C ATOM 805 CD1 LEU A 52 0.907 -13.305 12.848 1.00 0.00 C ATOM 806 CD2 LEU A 52 -0.237 -11.472 11.588 1.00 0.00 C ATOM 0 H LEU A 52 1.241 -9.566 11.755 1.00 0.00 H new ATOM 0 HA LEU A 52 1.320 -9.063 14.624 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.142 -11.608 14.645 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.221 -10.727 13.982 1.00 0.00 H new ATOM 0 HG LEU A 52 1.848 -11.579 12.024 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.969 -13.878 11.923 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.763 -13.542 13.480 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.013 -13.562 13.372 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.159 -12.072 10.681 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.186 -11.682 12.082 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.189 -10.414 11.329 1.00 0.00 H new ATOM 818 N LYS A 53 3.863 -10.194 12.930 1.00 0.00 N ATOM 819 CA LYS A 53 5.284 -10.513 13.004 1.00 0.00 C ATOM 820 C LYS A 53 6.118 -9.247 13.177 1.00 0.00 C ATOM 821 O LYS A 53 7.194 -9.279 13.776 1.00 0.00 O ATOM 822 CB LYS A 53 5.727 -11.261 11.745 1.00 0.00 C ATOM 823 CG LYS A 53 5.315 -10.574 10.453 1.00 0.00 C ATOM 824 CD LYS A 53 4.200 -11.330 9.749 1.00 0.00 C ATOM 825 CE LYS A 53 4.736 -12.194 8.618 1.00 0.00 C ATOM 826 NZ LYS A 53 4.387 -11.639 7.282 1.00 0.00 N ATOM 0 H LYS A 53 3.499 -10.107 11.981 1.00 0.00 H new ATOM 0 HA LYS A 53 5.442 -11.152 13.873 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.812 -11.369 11.759 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.306 -12.266 11.763 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.986 -9.558 10.669 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.177 -10.496 9.791 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.674 -11.957 10.469 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.473 -10.621 9.353 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.819 -12.275 8.706 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.332 -13.202 8.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.770 -12.257 6.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.353 -11.585 7.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.794 -10.687 7.185 1.00 0.00 H new ATOM 840 N GLY A 54 5.617 -8.135 12.648 1.00 0.00 N ATOM 841 CA GLY A 54 6.331 -6.876 12.755 1.00 0.00 C ATOM 842 C GLY A 54 5.698 -5.776 11.925 1.00 0.00 C ATOM 843 O GLY A 54 4.514 -5.840 11.597 1.00 0.00 O ATOM 0 H GLY A 54 4.730 -8.083 12.147 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.361 -6.567 13.800 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.363 -7.019 12.435 1.00 0.00 H new ATOM 847 N ILE A 55 6.491 -4.765 11.585 1.00 0.00 N ATOM 848 CA ILE A 55 6.003 -3.645 10.789 1.00 0.00 C ATOM 849 C ILE A 55 6.927 -3.365 9.609 1.00 0.00 C ATOM 850 O ILE A 55 8.145 -3.505 9.714 1.00 0.00 O ATOM 851 CB ILE A 55 5.876 -2.363 11.636 1.00 0.00 C ATOM 852 CG1 ILE A 55 5.172 -2.667 12.960 1.00 0.00 C ATOM 853 CG2 ILE A 55 5.126 -1.288 10.864 1.00 0.00 C ATOM 854 CD1 ILE A 55 6.121 -3.060 14.072 1.00 0.00 C ATOM 0 H ILE A 55 7.474 -4.699 11.848 1.00 0.00 H new ATOM 0 HA ILE A 55 5.017 -3.929 10.420 1.00 0.00 H new ATOM 0 HB ILE A 55 6.877 -1.991 11.856 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.605 -1.790 13.270 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.454 -3.472 12.804 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.045 -0.390 11.476 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.667 -1.055 9.947 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.128 -1.648 10.615 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.553 -3.261 14.981 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.671 -3.955 13.782 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.823 -2.247 14.255 1.00 0.00 H new ATOM 866 N GLU A 56 6.339 -2.967 8.485 1.00 0.00 N ATOM 867 CA GLU A 56 7.110 -2.663 7.287 1.00 0.00 C ATOM 868 C GLU A 56 6.761 -1.276 6.756 1.00 0.00 C ATOM 869 O GLU A 56 5.595 -0.968 6.514 1.00 0.00 O ATOM 870 CB GLU A 56 6.852 -3.713 6.205 1.00 0.00 C ATOM 871 CG GLU A 56 7.304 -5.111 6.593 1.00 0.00 C ATOM 872 CD GLU A 56 8.676 -5.452 6.047 1.00 0.00 C ATOM 873 OE1 GLU A 56 9.429 -4.517 5.702 1.00 0.00 O ATOM 874 OE2 GLU A 56 8.999 -6.657 5.962 1.00 0.00 O ATOM 0 H GLU A 56 5.331 -2.848 8.380 1.00 0.00 H new ATOM 0 HA GLU A 56 8.167 -2.679 7.553 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.786 -3.735 5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.366 -3.415 5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.318 -5.196 7.680 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.580 -5.838 6.226 1.00 0.00 H new ATOM 881 N GLU A 57 7.781 -0.444 6.582 1.00 0.00 N ATOM 882 CA GLU A 57 7.583 0.911 6.082 1.00 0.00 C ATOM 883 C GLU A 57 8.018 1.025 4.625 1.00 0.00 C ATOM 884 O GLU A 57 9.211 1.058 4.323 1.00 0.00 O ATOM 885 CB GLU A 57 8.358 1.912 6.940 1.00 0.00 C ATOM 886 CG GLU A 57 8.102 3.363 6.564 1.00 0.00 C ATOM 887 CD GLU A 57 9.171 4.300 7.091 1.00 0.00 C ATOM 888 OE1 GLU A 57 10.307 4.257 6.572 1.00 0.00 O ATOM 889 OE2 GLU A 57 8.874 5.076 8.023 1.00 0.00 O ATOM 0 H GLU A 57 8.753 -0.684 6.780 1.00 0.00 H new ATOM 0 HA GLU A 57 6.519 1.141 6.141 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.091 1.764 7.986 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.424 1.705 6.851 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.051 3.450 5.479 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.131 3.670 6.954 1.00 0.00 H new ATOM 896 N TYR A 58 7.041 1.086 3.725 1.00 0.00 N ATOM 897 CA TYR A 58 7.319 1.197 2.299 1.00 0.00 C ATOM 898 C TYR A 58 7.369 2.658 1.866 1.00 0.00 C ATOM 899 O TYR A 58 7.193 3.564 2.680 1.00 0.00 O ATOM 900 CB TYR A 58 6.260 0.446 1.488 1.00 0.00 C ATOM 901 CG TYR A 58 6.180 -1.027 1.819 1.00 0.00 C ATOM 902 CD1 TYR A 58 5.476 -1.473 2.931 1.00 0.00 C ATOM 903 CD2 TYR A 58 6.811 -1.973 1.022 1.00 0.00 C ATOM 904 CE1 TYR A 58 5.402 -2.818 3.237 1.00 0.00 C ATOM 905 CE2 TYR A 58 6.743 -3.321 1.321 1.00 0.00 C ATOM 906 CZ TYR A 58 6.037 -3.738 2.429 1.00 0.00 C ATOM 907 OH TYR A 58 5.968 -5.079 2.731 1.00 0.00 O ATOM 0 H TYR A 58 6.049 1.060 3.960 1.00 0.00 H new ATOM 0 HA TYR A 58 8.294 0.748 2.110 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.287 0.903 1.665 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.478 0.560 0.426 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.978 -0.756 3.567 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.365 -1.650 0.153 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.850 -3.148 4.105 1.00 0.00 H new ATOM 0 HE2 TYR A 58 7.240 -4.043 0.690 1.00 0.00 H new ATOM 0 HH TYR A 58 6.342 -5.601 1.990 1.00 0.00 H new ATOM 917 N THR A 59 7.611 2.879 0.579 1.00 0.00 N ATOM 918 CA THR A 59 7.687 4.230 0.036 1.00 0.00 C ATOM 919 C THR A 59 7.191 4.265 -1.406 1.00 0.00 C ATOM 920 O THR A 59 7.640 3.487 -2.246 1.00 0.00 O ATOM 921 CB THR A 59 9.126 4.749 0.107 1.00 0.00 C ATOM 922 OG1 THR A 59 9.565 4.823 1.451 1.00 0.00 O ATOM 923 CG2 THR A 59 9.303 6.121 -0.509 1.00 0.00 C ATOM 0 H THR A 59 7.758 2.140 -0.108 1.00 0.00 H new ATOM 0 HA THR A 59 7.045 4.874 0.637 1.00 0.00 H new ATOM 0 HB THR A 59 9.718 4.034 -0.465 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.255 5.662 1.851 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.346 6.426 -0.424 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.020 6.087 -1.561 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.671 6.839 0.014 1.00 0.00 H new ATOM 931 N ILE A 60 6.264 5.177 -1.686 1.00 0.00 N ATOM 932 CA ILE A 60 5.710 5.312 -3.028 1.00 0.00 C ATOM 933 C ILE A 60 6.685 6.025 -3.956 1.00 0.00 C ATOM 934 O ILE A 60 7.187 7.104 -3.637 1.00 0.00 O ATOM 935 CB ILE A 60 4.379 6.087 -3.016 1.00 0.00 C ATOM 936 CG1 ILE A 60 3.455 5.543 -1.927 1.00 0.00 C ATOM 937 CG2 ILE A 60 3.706 6.004 -4.379 1.00 0.00 C ATOM 938 CD1 ILE A 60 2.164 6.319 -1.787 1.00 0.00 C ATOM 0 H ILE A 60 5.882 5.831 -1.003 1.00 0.00 H new ATOM 0 HA ILE A 60 5.531 4.301 -3.395 1.00 0.00 H new ATOM 0 HB ILE A 60 4.588 7.134 -2.798 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.221 4.501 -2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.983 5.557 -0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.767 6.556 -4.355 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.362 6.436 -5.135 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.507 4.961 -4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.558 5.877 -0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.388 7.356 -1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.615 6.284 -2.728 1.00 0.00 H new ATOM 950 N LEU A 61 6.948 5.418 -5.107 1.00 0.00 N ATOM 951 CA LEU A 61 7.861 5.994 -6.086 1.00 0.00 C ATOM 952 C LEU A 61 7.109 6.855 -7.097 1.00 0.00 C ATOM 953 O LEU A 61 7.701 7.704 -7.765 1.00 0.00 O ATOM 954 CB LEU A 61 8.627 4.884 -6.810 1.00 0.00 C ATOM 955 CG LEU A 61 9.728 4.215 -5.985 1.00 0.00 C ATOM 956 CD1 LEU A 61 10.509 3.227 -6.838 1.00 0.00 C ATOM 957 CD2 LEU A 61 10.661 5.262 -5.391 1.00 0.00 C ATOM 0 H LEU A 61 6.541 4.525 -5.385 1.00 0.00 H new ATOM 0 HA LEU A 61 8.569 6.630 -5.555 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.917 4.121 -7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.073 5.300 -7.713 1.00 0.00 H new ATOM 0 HG LEU A 61 9.260 3.667 -5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.288 2.761 -6.234 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.834 2.459 -7.215 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.966 3.752 -7.677 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.438 4.768 -4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.121 5.837 -6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.093 5.931 -4.745 1.00 0.00 H new ATOM 969 N GLN A 62 5.800 6.634 -7.209 1.00 0.00 N ATOM 970 CA GLN A 62 4.972 7.393 -8.140 1.00 0.00 C ATOM 971 C GLN A 62 3.517 6.944 -8.065 1.00 0.00 C ATOM 972 O GLN A 62 3.217 5.856 -7.572 1.00 0.00 O ATOM 973 CB GLN A 62 5.497 7.233 -9.570 1.00 0.00 C ATOM 974 CG GLN A 62 5.653 8.551 -10.311 1.00 0.00 C ATOM 975 CD GLN A 62 4.381 8.977 -11.017 1.00 0.00 C ATOM 976 OE1 GLN A 62 3.757 8.187 -11.726 1.00 0.00 O ATOM 977 NE2 GLN A 62 3.992 10.232 -10.827 1.00 0.00 N ATOM 0 H GLN A 62 5.292 5.936 -6.666 1.00 0.00 H new ATOM 0 HA GLN A 62 5.022 8.445 -7.858 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.462 6.726 -9.540 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.817 6.590 -10.128 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.950 9.327 -9.606 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.457 8.460 -11.042 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.541 10.851 -10.231 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.144 10.577 -11.277 1.00 0.00 H new ATOM 986 N ILE A 63 2.615 7.788 -8.556 1.00 0.00 N ATOM 987 CA ILE A 63 1.190 7.478 -8.547 1.00 0.00 C ATOM 988 C ILE A 63 0.642 7.370 -9.966 1.00 0.00 C ATOM 989 O ILE A 63 0.120 8.340 -10.515 1.00 0.00 O ATOM 990 CB ILE A 63 0.386 8.544 -7.779 1.00 0.00 C ATOM 991 CG1 ILE A 63 1.020 8.809 -6.413 1.00 0.00 C ATOM 992 CG2 ILE A 63 -1.061 8.100 -7.621 1.00 0.00 C ATOM 993 CD1 ILE A 63 0.997 7.607 -5.493 1.00 0.00 C ATOM 0 H ILE A 63 2.846 8.693 -8.966 1.00 0.00 H new ATOM 0 HA ILE A 63 1.080 6.518 -8.043 1.00 0.00 H new ATOM 0 HB ILE A 63 0.402 9.472 -8.350 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.053 9.127 -6.556 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.496 9.635 -5.932 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.618 8.862 -7.077 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.507 7.958 -8.605 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.095 7.161 -7.068 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.463 7.867 -4.543 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.035 7.301 -5.320 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.546 6.786 -5.953 1.00 0.00 H new ATOM 1005 N PRO A 64 0.753 6.181 -10.583 1.00 0.00 N ATOM 1006 CA PRO A 64 0.267 5.947 -11.946 1.00 0.00 C ATOM 1007 C PRO A 64 -1.249 5.783 -12.011 1.00 0.00 C ATOM 1008 O PRO A 64 -1.816 5.614 -13.092 1.00 0.00 O ATOM 1009 CB PRO A 64 0.952 4.638 -12.331 1.00 0.00 C ATOM 1010 CG PRO A 64 1.116 3.913 -11.042 1.00 0.00 C ATOM 1011 CD PRO A 64 1.365 4.970 -9.998 1.00 0.00 C ATOM 0 HA PRO A 64 0.489 6.785 -12.607 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.348 4.065 -13.035 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.914 4.819 -12.810 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.224 3.333 -10.805 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.948 3.211 -11.093 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.906 4.709 -9.044 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.430 5.108 -9.812 1.00 0.00 H new ATOM 1019 N ALA A 65 -1.903 5.822 -10.853 1.00 0.00 N ATOM 1020 CA ALA A 65 -3.351 5.665 -10.786 1.00 0.00 C ATOM 1021 C ALA A 65 -3.752 4.249 -11.185 1.00 0.00 C ATOM 1022 O ALA A 65 -4.823 4.029 -11.750 1.00 0.00 O ATOM 1023 CB ALA A 65 -4.043 6.690 -11.678 1.00 0.00 C ATOM 0 H ALA A 65 -1.452 5.961 -9.949 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.669 5.836 -9.758 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.123 6.557 -11.615 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.781 7.695 -11.348 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.720 6.551 -12.710 1.00 0.00 H new ATOM 1029 N LEU A 66 -2.875 3.295 -10.890 1.00 0.00 N ATOM 1030 CA LEU A 66 -3.121 1.896 -11.217 1.00 0.00 C ATOM 1031 C LEU A 66 -4.323 1.351 -10.452 1.00 0.00 C ATOM 1032 O LEU A 66 -4.843 2.003 -9.545 1.00 0.00 O ATOM 1033 CB LEU A 66 -1.878 1.055 -10.911 1.00 0.00 C ATOM 1034 CG LEU A 66 -1.567 0.863 -9.423 1.00 0.00 C ATOM 1035 CD1 LEU A 66 -1.104 -0.560 -9.154 1.00 0.00 C ATOM 1036 CD2 LEU A 66 -0.512 1.859 -8.963 1.00 0.00 C ATOM 0 H LEU A 66 -1.984 3.467 -10.423 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.342 1.834 -12.282 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.002 0.074 -11.369 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.017 1.523 -11.388 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.481 1.043 -8.857 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.888 -0.678 -8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.889 -1.259 -9.444 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.203 -0.765 -9.733 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.305 1.707 -7.904 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.403 1.711 -9.537 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.877 2.874 -9.119 1.00 0.00 H new ATOM 1048 N LYS A 67 -4.757 0.152 -10.823 1.00 0.00 N ATOM 1049 CA LYS A 67 -5.896 -0.487 -10.174 1.00 0.00 C ATOM 1050 C LYS A 67 -5.550 -1.910 -9.748 1.00 0.00 C ATOM 1051 O LYS A 67 -5.872 -2.333 -8.638 1.00 0.00 O ATOM 1052 CB LYS A 67 -7.103 -0.503 -11.114 1.00 0.00 C ATOM 1053 CG LYS A 67 -8.422 -0.760 -10.406 1.00 0.00 C ATOM 1054 CD LYS A 67 -9.592 -0.168 -11.175 1.00 0.00 C ATOM 1055 CE LYS A 67 -9.713 1.329 -10.941 1.00 0.00 C ATOM 1056 NZ LYS A 67 -10.951 1.889 -11.548 1.00 0.00 N ATOM 0 H LYS A 67 -4.336 -0.398 -11.572 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.146 0.090 -9.284 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.160 0.453 -11.635 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.952 -1.271 -11.873 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.569 -1.833 -10.287 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.389 -0.330 -9.405 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.464 -0.362 -12.240 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.515 -0.661 -10.870 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.711 1.530 -9.870 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.843 1.833 -11.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.995 2.912 -11.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.941 1.720 -12.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.783 1.427 -11.129 1.00 0.00 H new ATOM 1070 N ASN A 68 -4.891 -2.645 -10.639 1.00 0.00 N ATOM 1071 CA ASN A 68 -4.498 -4.022 -10.357 1.00 0.00 C ATOM 1072 C ASN A 68 -3.389 -4.474 -11.303 1.00 0.00 C ATOM 1073 O ASN A 68 -3.627 -5.246 -12.232 1.00 0.00 O ATOM 1074 CB ASN A 68 -5.704 -4.956 -10.479 1.00 0.00 C ATOM 1075 CG ASN A 68 -6.518 -4.694 -11.732 1.00 0.00 C ATOM 1076 OD1 ASN A 68 -7.475 -3.920 -11.713 1.00 0.00 O ATOM 1077 ND2 ASN A 68 -6.140 -5.339 -12.830 1.00 0.00 N ATOM 0 H ASN A 68 -4.618 -2.310 -11.563 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.120 -4.064 -9.336 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.359 -5.990 -10.483 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.342 -4.836 -9.604 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -6.649 -5.202 -13.703 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.340 -5.971 -12.800 1.00 0.00 H new ATOM 1084 N VAL A 69 -2.177 -3.983 -11.063 1.00 0.00 N ATOM 1085 CA VAL A 69 -1.032 -4.333 -11.893 1.00 0.00 C ATOM 1086 C VAL A 69 -0.497 -5.721 -11.541 1.00 0.00 C ATOM 1087 O VAL A 69 -0.136 -5.979 -10.393 1.00 0.00 O ATOM 1088 CB VAL A 69 0.104 -3.304 -11.741 1.00 0.00 C ATOM 1089 CG1 VAL A 69 1.219 -3.586 -12.737 1.00 0.00 C ATOM 1090 CG2 VAL A 69 -0.430 -1.891 -11.913 1.00 0.00 C ATOM 0 H VAL A 69 -1.964 -3.341 -10.300 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.379 -4.333 -12.926 1.00 0.00 H new ATOM 0 HB VAL A 69 0.517 -3.392 -10.736 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.012 -2.848 -12.614 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.621 -4.584 -12.560 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.824 -3.528 -13.751 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.387 -1.177 -11.802 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.871 -1.787 -12.904 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.189 -1.694 -11.156 1.00 0.00 H new ATOM 1100 N PRO A 70 -0.438 -6.639 -12.525 1.00 0.00 N ATOM 1101 CA PRO A 70 0.057 -8.003 -12.301 1.00 0.00 C ATOM 1102 C PRO A 70 1.474 -8.019 -11.735 1.00 0.00 C ATOM 1103 O PRO A 70 1.961 -7.010 -11.227 1.00 0.00 O ATOM 1104 CB PRO A 70 0.037 -8.632 -13.698 1.00 0.00 C ATOM 1105 CG PRO A 70 -0.947 -7.821 -14.470 1.00 0.00 C ATOM 1106 CD PRO A 70 -0.849 -6.426 -13.925 1.00 0.00 C ATOM 0 HA PRO A 70 -0.552 -8.537 -11.572 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.024 -8.600 -14.160 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.261 -9.680 -13.655 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.719 -7.841 -15.536 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.956 -8.216 -14.353 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.119 -5.830 -14.473 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.802 -5.901 -13.989 1.00 0.00 H new ATOM 1114 N ARG A 71 2.129 -9.171 -11.830 1.00 0.00 N ATOM 1115 CA ARG A 71 3.491 -9.319 -11.329 1.00 0.00 C ATOM 1116 C ARG A 71 4.507 -9.119 -12.449 1.00 0.00 C ATOM 1117 O ARG A 71 4.897 -10.072 -13.123 1.00 0.00 O ATOM 1118 CB ARG A 71 3.677 -10.699 -10.696 1.00 0.00 C ATOM 1119 CG ARG A 71 4.575 -10.690 -9.469 1.00 0.00 C ATOM 1120 CD ARG A 71 6.005 -11.062 -9.823 1.00 0.00 C ATOM 1121 NE ARG A 71 6.939 -10.725 -8.753 1.00 0.00 N ATOM 1122 CZ ARG A 71 8.162 -11.242 -8.643 1.00 0.00 C ATOM 1123 NH1 ARG A 71 8.601 -12.120 -9.536 1.00 0.00 N ATOM 1124 NH2 ARG A 71 8.946 -10.880 -7.636 1.00 0.00 N ATOM 0 H ARG A 71 1.739 -10.015 -12.249 1.00 0.00 H new ATOM 0 HA ARG A 71 3.658 -8.554 -10.571 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.701 -11.097 -10.419 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.098 -11.377 -11.439 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.558 -9.701 -9.012 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.188 -11.390 -8.729 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.061 -12.131 -10.030 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.298 -10.545 -10.737 1.00 0.00 H new ATOM 0 HE ARG A 71 6.637 -10.053 -8.047 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.001 -12.402 -10.311 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.538 -12.513 -9.447 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.612 -10.206 -6.947 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.882 -11.275 -7.551 1.00 0.00 H new ATOM 1138 N LYS A 72 4.932 -7.874 -12.640 1.00 0.00 N ATOM 1139 CA LYS A 72 5.904 -7.552 -13.680 1.00 0.00 C ATOM 1140 C LYS A 72 6.480 -6.155 -13.471 1.00 0.00 C ATOM 1141 O LYS A 72 7.666 -6.000 -13.175 1.00 0.00 O ATOM 1142 CB LYS A 72 5.254 -7.648 -15.061 1.00 0.00 C ATOM 1143 CG LYS A 72 6.215 -8.079 -16.157 1.00 0.00 C ATOM 1144 CD LYS A 72 5.721 -7.653 -17.531 1.00 0.00 C ATOM 1145 CE LYS A 72 6.352 -8.489 -18.632 1.00 0.00 C ATOM 1146 NZ LYS A 72 7.801 -8.192 -18.796 1.00 0.00 N ATOM 0 H LYS A 72 4.620 -7.073 -12.090 1.00 0.00 H new ATOM 0 HA LYS A 72 6.718 -8.274 -13.619 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.427 -8.356 -15.016 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.830 -6.678 -15.322 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.198 -7.645 -15.972 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.335 -9.162 -16.132 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.636 -7.750 -17.575 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.954 -6.601 -17.693 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.222 -9.547 -18.404 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.834 -8.300 -19.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.193 -8.783 -19.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.924 -7.188 -19.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.300 -8.396 -17.907 1.00 0.00 H new ATOM 1160 N ASP A 73 5.636 -5.142 -13.630 1.00 0.00 N ATOM 1161 CA ASP A 73 6.062 -3.757 -13.460 1.00 0.00 C ATOM 1162 C ASP A 73 5.427 -3.140 -12.218 1.00 0.00 C ATOM 1163 O ASP A 73 5.195 -1.933 -12.163 1.00 0.00 O ATOM 1164 CB ASP A 73 5.694 -2.934 -14.695 1.00 0.00 C ATOM 1165 CG ASP A 73 6.539 -3.294 -15.902 1.00 0.00 C ATOM 1166 OD1 ASP A 73 7.636 -2.716 -16.052 1.00 0.00 O ATOM 1167 OD2 ASP A 73 6.103 -4.152 -16.698 1.00 0.00 O ATOM 0 H ASP A 73 4.652 -5.253 -13.876 1.00 0.00 H new ATOM 0 HA ASP A 73 7.145 -3.750 -13.335 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.642 -3.090 -14.932 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.817 -1.874 -14.472 1.00 0.00 H new ATOM 1172 N THR A 74 5.149 -3.977 -11.223 1.00 0.00 N ATOM 1173 CA THR A 74 4.541 -3.512 -9.981 1.00 0.00 C ATOM 1174 C THR A 74 5.571 -3.459 -8.857 1.00 0.00 C ATOM 1175 O THR A 74 5.240 -3.661 -7.689 1.00 0.00 O ATOM 1176 CB THR A 74 3.381 -4.427 -9.585 1.00 0.00 C ATOM 1177 OG1 THR A 74 2.711 -3.920 -8.445 1.00 0.00 O ATOM 1178 CG2 THR A 74 3.815 -5.843 -9.269 1.00 0.00 C ATOM 0 H THR A 74 5.335 -4.979 -11.252 1.00 0.00 H new ATOM 0 HA THR A 74 4.160 -2.504 -10.146 1.00 0.00 H new ATOM 0 HB THR A 74 2.723 -4.451 -10.454 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.361 -3.754 -7.731 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.944 -6.438 -8.996 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.293 -6.281 -10.145 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.521 -5.830 -8.438 1.00 0.00 H new ATOM 1186 N HIS A 75 6.821 -3.187 -9.219 1.00 0.00 N ATOM 1187 CA HIS A 75 7.900 -3.107 -8.239 1.00 0.00 C ATOM 1188 C HIS A 75 8.587 -1.742 -8.273 1.00 0.00 C ATOM 1189 O HIS A 75 9.508 -1.486 -7.497 1.00 0.00 O ATOM 1190 CB HIS A 75 8.926 -4.214 -8.495 1.00 0.00 C ATOM 1191 CG HIS A 75 9.355 -4.932 -7.253 1.00 0.00 C ATOM 1192 ND1 HIS A 75 8.491 -5.675 -6.476 1.00 0.00 N ATOM 1193 CD2 HIS A 75 10.566 -5.018 -6.652 1.00 0.00 C ATOM 1194 CE1 HIS A 75 9.151 -6.187 -5.453 1.00 0.00 C ATOM 1195 NE2 HIS A 75 10.411 -5.803 -5.537 1.00 0.00 N ATOM 0 H HIS A 75 7.112 -3.018 -10.182 1.00 0.00 H new ATOM 0 HA HIS A 75 7.463 -3.239 -7.249 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.503 -4.935 -9.194 1.00 0.00 H new ATOM 0 HB3 HIS A 75 9.803 -3.781 -8.976 1.00 0.00 H new ATOM 0 HD2 HIS A 75 11.482 -4.555 -6.988 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.731 -6.813 -4.680 1.00 0.00 H new ATOM 0 HE2 HIS A 75 11.150 -6.050 -4.879 1.00 0.00 H new ATOM 1204 N LEU A 76 8.140 -0.867 -9.172 1.00 0.00 N ATOM 1205 CA LEU A 76 8.721 0.465 -9.294 1.00 0.00 C ATOM 1206 C LEU A 76 7.745 1.540 -8.817 1.00 0.00 C ATOM 1207 O LEU A 76 7.875 2.709 -9.176 1.00 0.00 O ATOM 1208 CB LEU A 76 9.126 0.736 -10.744 1.00 0.00 C ATOM 1209 CG LEU A 76 10.525 0.250 -11.128 1.00 0.00 C ATOM 1210 CD1 LEU A 76 10.535 -0.276 -12.555 1.00 0.00 C ATOM 1211 CD2 LEU A 76 11.540 1.369 -10.964 1.00 0.00 C ATOM 0 H LEU A 76 7.379 -1.057 -9.824 1.00 0.00 H new ATOM 0 HA LEU A 76 9.607 0.503 -8.660 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.399 0.261 -11.403 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.068 1.809 -10.927 1.00 0.00 H new ATOM 0 HG LEU A 76 10.801 -0.566 -10.460 1.00 0.00 H new ATOM 0 HD11 LEU A 76 11.538 -0.617 -12.810 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.836 -1.108 -12.641 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.238 0.520 -13.238 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.530 1.006 -11.241 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.267 2.205 -11.607 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.553 1.699 -9.925 1.00 0.00 H new ATOM 1223 N TYR A 77 6.770 1.137 -8.008 1.00 0.00 N ATOM 1224 CA TYR A 77 5.775 2.069 -7.486 1.00 0.00 C ATOM 1225 C TYR A 77 5.852 2.158 -5.965 1.00 0.00 C ATOM 1226 O TYR A 77 5.552 3.198 -5.379 1.00 0.00 O ATOM 1227 CB TYR A 77 4.371 1.639 -7.913 1.00 0.00 C ATOM 1228 CG TYR A 77 4.175 1.610 -9.413 1.00 0.00 C ATOM 1229 CD1 TYR A 77 4.520 2.703 -10.198 1.00 0.00 C ATOM 1230 CD2 TYR A 77 3.647 0.489 -10.042 1.00 0.00 C ATOM 1231 CE1 TYR A 77 4.342 2.679 -11.569 1.00 0.00 C ATOM 1232 CE2 TYR A 77 3.468 0.459 -11.412 1.00 0.00 C ATOM 1233 CZ TYR A 77 3.817 1.557 -12.170 1.00 0.00 C ATOM 1234 OH TYR A 77 3.639 1.530 -13.535 1.00 0.00 O ATOM 0 H TYR A 77 6.647 0.172 -7.700 1.00 0.00 H new ATOM 0 HA TYR A 77 5.988 3.055 -7.898 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.165 0.648 -7.509 1.00 0.00 H new ATOM 0 HB3 TYR A 77 3.642 2.320 -7.473 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.933 3.584 -9.731 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.372 -0.372 -9.451 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.614 3.537 -12.166 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.057 -0.420 -11.887 1.00 0.00 H new ATOM 0 HH TYR A 77 3.260 0.665 -13.798 1.00 0.00 H new ATOM 1244 N ILE A 78 6.256 1.062 -5.330 1.00 0.00 N ATOM 1245 CA ILE A 78 6.374 1.018 -3.877 1.00 0.00 C ATOM 1246 C ILE A 78 7.428 0.003 -3.446 1.00 0.00 C ATOM 1247 O ILE A 78 7.503 -1.099 -3.989 1.00 0.00 O ATOM 1248 CB ILE A 78 5.027 0.667 -3.213 1.00 0.00 C ATOM 1249 CG1 ILE A 78 5.158 0.700 -1.689 1.00 0.00 C ATOM 1250 CG2 ILE A 78 4.543 -0.697 -3.681 1.00 0.00 C ATOM 1251 CD1 ILE A 78 3.862 0.408 -0.965 1.00 0.00 C ATOM 0 H ILE A 78 6.507 0.192 -5.800 1.00 0.00 H new ATOM 0 HA ILE A 78 6.678 2.013 -3.551 1.00 0.00 H new ATOM 0 HB ILE A 78 4.289 1.412 -3.510 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.909 -0.028 -1.381 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.522 1.681 -1.385 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.591 -0.929 -3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.412 -0.685 -4.763 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.278 -1.456 -3.413 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.029 0.448 0.111 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.114 1.150 -1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.507 -0.585 -1.240 1.00 0.00 H new ATOM 1263 N ALA A 79 8.242 0.383 -2.466 1.00 0.00 N ATOM 1264 CA ALA A 79 9.292 -0.494 -1.963 1.00 0.00 C ATOM 1265 C ALA A 79 9.503 -0.302 -0.464 1.00 0.00 C ATOM 1266 O ALA A 79 9.288 0.789 0.067 1.00 0.00 O ATOM 1267 CB ALA A 79 10.591 -0.242 -2.714 1.00 0.00 C ATOM 0 H ALA A 79 8.194 1.292 -2.005 1.00 0.00 H new ATOM 0 HA ALA A 79 8.978 -1.525 -2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.368 -0.903 -2.329 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.441 -0.437 -3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 79 10.896 0.795 -2.576 1.00 0.00 H new ATOM 1273 N PRO A 80 9.929 -1.364 0.242 1.00 0.00 N ATOM 1274 CA PRO A 80 10.170 -1.307 1.687 1.00 0.00 C ATOM 1275 C PRO A 80 11.369 -0.435 2.039 1.00 0.00 C ATOM 1276 O PRO A 80 12.518 -0.828 1.833 1.00 0.00 O ATOM 1277 CB PRO A 80 10.442 -2.766 2.062 1.00 0.00 C ATOM 1278 CG PRO A 80 10.932 -3.397 0.805 1.00 0.00 C ATOM 1279 CD PRO A 80 10.210 -2.701 -0.315 1.00 0.00 C ATOM 0 HA PRO A 80 9.329 -0.866 2.222 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.185 -2.838 2.857 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.539 -3.256 2.425 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.011 -3.282 0.705 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.724 -4.467 0.798 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.824 -2.642 -1.214 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.293 -3.224 -0.589 1.00 0.00 H new ATOM 1287 N LYS A 81 11.095 0.752 2.571 1.00 0.00 N ATOM 1288 CA LYS A 81 12.151 1.683 2.950 1.00 0.00 C ATOM 1289 C LYS A 81 13.071 1.064 3.999 1.00 0.00 C ATOM 1290 O LYS A 81 12.609 0.545 5.016 1.00 0.00 O ATOM 1291 CB LYS A 81 11.548 2.981 3.488 1.00 0.00 C ATOM 1292 CG LYS A 81 12.567 4.094 3.672 1.00 0.00 C ATOM 1293 CD LYS A 81 11.915 5.466 3.594 1.00 0.00 C ATOM 1294 CE LYS A 81 12.753 6.437 2.776 1.00 0.00 C ATOM 1295 NZ LYS A 81 12.931 7.741 3.473 1.00 0.00 N ATOM 0 H LYS A 81 10.150 1.092 2.749 1.00 0.00 H new ATOM 0 HA LYS A 81 12.740 1.906 2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.770 3.321 2.805 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.066 2.779 4.445 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.062 3.980 4.636 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.338 4.013 2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.924 5.374 3.148 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.777 5.862 4.600 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.730 5.995 2.577 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.276 6.604 1.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.507 8.374 2.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.001 8.175 3.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.409 7.586 4.383 1.00 0.00 H new