USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 628 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 22 MET CE :methyl -145:sc= -6.48! (180deg=-10.4!) USER MOD Set 1.2: A 60 LYS NZ :NH3+ 151:sc= 0.994 (180deg=0.103) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.46 K(o=0.46,f=-2.7!) USER MOD Single : A 27 GLN : amide:sc= -0.37 K(o=-0.37,f=-3!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -4.6! C(o=-4.6!,f=-5.1!) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -2.02 F(o=-3.9!,f=-2) USER MOD Single : A 46 HIS : no HE2:sc= -3.62! C(o=-3.6!,f=-4.9!) USER MOD Single : A 50 LYS NZ :NH3+ 175:sc= 0.00396 (180deg=0.00123) USER MOD Single : A 52 GLN :FLIP amide:sc= -8.86! C(o=-13!,f=-8.9!) USER MOD Single : A 61 LYS NZ :NH3+ -139:sc= -0.636 (180deg=-2.7!) USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0815) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc=-0.00733 X(o=-0.0073,f=-0.44) USER MOD Single : A 82 ASN : amide:sc= 0.148 X(o=0.15,f=-0.053) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 166:sc= -4.23! USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 19 2.084 12.664 1.057 1.00 0.00 N ATOM 26 CA GLU A 19 1.983 11.922 -0.232 1.00 0.00 C ATOM 27 C GLU A 19 0.638 11.197 -0.336 1.00 0.00 C ATOM 28 O GLU A 19 -0.042 11.274 -1.340 1.00 0.00 O ATOM 29 CB GLU A 19 3.136 10.916 -0.199 1.00 0.00 C ATOM 30 CG GLU A 19 4.460 11.654 -0.405 1.00 0.00 C ATOM 31 CD GLU A 19 4.760 11.760 -1.902 1.00 0.00 C ATOM 32 OE1 GLU A 19 3.966 12.367 -2.603 1.00 0.00 O ATOM 33 OE2 GLU A 19 5.778 11.236 -2.321 1.00 0.00 O ATOM 0 HA GLU A 19 2.043 12.588 -1.093 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.146 10.388 0.755 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.001 10.165 -0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.406 12.649 0.037 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.266 11.124 0.101 1.00 0.00 H new ATOM 40 N PHE A 20 0.252 10.494 0.691 1.00 0.00 N ATOM 41 CA PHE A 20 -1.046 9.762 0.645 1.00 0.00 C ATOM 42 C PHE A 20 -2.022 10.357 1.672 1.00 0.00 C ATOM 43 O PHE A 20 -1.678 11.266 2.401 1.00 0.00 O ATOM 44 CB PHE A 20 -0.669 8.315 0.966 1.00 0.00 C ATOM 45 CG PHE A 20 0.298 7.825 -0.095 1.00 0.00 C ATOM 46 CD1 PHE A 20 -0.193 7.218 -1.260 1.00 0.00 C ATOM 47 CD2 PHE A 20 1.686 7.994 0.071 1.00 0.00 C ATOM 48 CE1 PHE A 20 0.694 6.784 -2.252 1.00 0.00 C ATOM 49 CE2 PHE A 20 2.569 7.554 -0.925 1.00 0.00 C ATOM 50 CZ PHE A 20 2.072 6.952 -2.085 1.00 0.00 C ATOM 0 H PHE A 20 0.777 10.394 1.560 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.555 9.834 -0.316 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.212 8.252 1.954 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.560 7.687 0.987 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.257 7.085 -1.392 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.070 8.462 0.965 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.313 6.318 -3.149 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.634 7.680 -0.796 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.753 6.616 -2.853 1.00 0.00 H new ATOM 60 N ARG A 21 -3.243 9.882 1.723 1.00 0.00 N ATOM 61 CA ARG A 21 -4.222 10.470 2.691 1.00 0.00 C ATOM 62 C ARG A 21 -4.215 9.716 4.021 1.00 0.00 C ATOM 63 O ARG A 21 -4.157 10.310 5.079 1.00 0.00 O ATOM 64 CB ARG A 21 -5.588 10.326 2.022 1.00 0.00 C ATOM 65 CG ARG A 21 -5.619 11.158 0.744 1.00 0.00 C ATOM 66 CD ARG A 21 -5.031 10.333 -0.396 1.00 0.00 C ATOM 67 NE ARG A 21 -5.624 10.908 -1.635 1.00 0.00 N ATOM 68 CZ ARG A 21 -5.132 12.002 -2.148 1.00 0.00 C ATOM 69 NH1 ARG A 21 -5.182 13.118 -1.474 1.00 0.00 N ATOM 70 NH2 ARG A 21 -4.593 11.979 -3.336 1.00 0.00 N ATOM 0 H ARG A 21 -3.601 9.122 1.144 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.973 11.507 2.918 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.783 9.279 1.792 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.374 10.655 2.702 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.642 11.450 0.509 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.048 12.077 0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.943 10.400 -0.411 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.284 9.278 -0.291 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.415 10.446 -2.083 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.606 13.135 -0.546 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.797 13.973 -1.875 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.557 11.106 -3.863 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.208 12.834 -3.738 1.00 0.00 H new ATOM 84 N MET A 22 -4.298 8.420 3.977 1.00 0.00 N ATOM 85 CA MET A 22 -4.322 7.632 5.241 1.00 0.00 C ATOM 86 C MET A 22 -2.911 7.482 5.809 1.00 0.00 C ATOM 87 O MET A 22 -1.940 7.429 5.081 1.00 0.00 O ATOM 88 CB MET A 22 -4.890 6.275 4.838 1.00 0.00 C ATOM 89 CG MET A 22 -6.130 6.485 3.968 1.00 0.00 C ATOM 90 SD MET A 22 -7.128 4.978 3.968 1.00 0.00 S ATOM 91 CE MET A 22 -7.222 4.778 2.173 1.00 0.00 C ATOM 0 H MET A 22 -4.350 7.869 3.120 1.00 0.00 H new ATOM 0 HA MET A 22 -4.916 8.113 6.018 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.141 5.702 4.292 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.148 5.698 5.726 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.716 7.322 4.347 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.834 6.738 2.950 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.195 4.368 1.903 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.091 5.747 1.692 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.437 4.099 1.841 1.00 0.00 H new ATOM 101 N GLU A 23 -2.794 7.415 7.105 1.00 0.00 N ATOM 102 CA GLU A 23 -1.447 7.271 7.724 1.00 0.00 C ATOM 103 C GLU A 23 -0.842 5.909 7.370 1.00 0.00 C ATOM 104 O GLU A 23 0.322 5.662 7.607 1.00 0.00 O ATOM 105 CB GLU A 23 -1.683 7.382 9.229 1.00 0.00 C ATOM 106 CG GLU A 23 -0.401 7.000 9.974 1.00 0.00 C ATOM 107 CD GLU A 23 -0.229 7.904 11.194 1.00 0.00 C ATOM 108 OE1 GLU A 23 -1.112 8.708 11.443 1.00 0.00 O ATOM 109 OE2 GLU A 23 0.785 7.777 11.863 1.00 0.00 O ATOM 0 H GLU A 23 -3.573 7.454 7.763 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.749 8.028 7.368 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.978 8.399 9.488 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.500 6.727 9.529 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.446 5.956 10.285 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.459 7.098 9.312 1.00 0.00 H new ATOM 116 N LYS A 24 -1.616 5.024 6.801 1.00 0.00 N ATOM 117 CA LYS A 24 -1.057 3.692 6.430 1.00 0.00 C ATOM 118 C LYS A 24 -0.167 3.845 5.192 1.00 0.00 C ATOM 119 O LYS A 24 0.937 3.335 5.141 1.00 0.00 O ATOM 120 CB LYS A 24 -2.266 2.794 6.147 1.00 0.00 C ATOM 121 CG LYS A 24 -3.087 3.364 4.988 1.00 0.00 C ATOM 122 CD LYS A 24 -4.543 2.909 5.120 1.00 0.00 C ATOM 123 CE LYS A 24 -4.656 1.427 4.748 1.00 0.00 C ATOM 124 NZ LYS A 24 -4.950 0.731 6.032 1.00 0.00 N ATOM 0 H LYS A 24 -2.602 5.163 6.579 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.439 3.261 7.218 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.931 1.786 5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.888 2.716 7.039 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.034 4.453 4.992 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.675 3.028 4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.892 3.065 6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.181 3.507 4.470 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.449 1.262 4.019 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.732 1.060 4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.042 -0.291 5.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.175 0.901 6.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.839 1.096 6.429 1.00 0.00 H new ATOM 138 N LEU A 25 -0.622 4.571 4.202 1.00 0.00 N ATOM 139 CA LEU A 25 0.219 4.778 2.990 1.00 0.00 C ATOM 140 C LEU A 25 1.380 5.703 3.351 1.00 0.00 C ATOM 141 O LEU A 25 2.516 5.455 3.009 1.00 0.00 O ATOM 142 CB LEU A 25 -0.696 5.443 1.958 1.00 0.00 C ATOM 143 CG LEU A 25 -1.950 4.593 1.727 1.00 0.00 C ATOM 144 CD1 LEU A 25 -2.619 5.025 0.422 1.00 0.00 C ATOM 145 CD2 LEU A 25 -1.574 3.113 1.621 1.00 0.00 C ATOM 0 H LEU A 25 -1.535 5.026 4.183 1.00 0.00 H new ATOM 0 HA LEU A 25 0.634 3.848 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.981 6.437 2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.160 5.574 1.018 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.631 4.734 2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.512 4.423 0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.898 6.077 0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.925 4.884 -0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.474 2.520 1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.888 2.971 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.092 2.793 2.545 1.00 0.00 H new ATOM 157 N ASN A 26 1.100 6.764 4.060 1.00 0.00 N ATOM 158 CA ASN A 26 2.191 7.695 4.464 1.00 0.00 C ATOM 159 C ASN A 26 3.256 6.914 5.233 1.00 0.00 C ATOM 160 O ASN A 26 4.439 7.041 4.990 1.00 0.00 O ATOM 161 CB ASN A 26 1.525 8.725 5.377 1.00 0.00 C ATOM 162 CG ASN A 26 0.857 9.812 4.533 1.00 0.00 C ATOM 163 OD1 ASN A 26 1.417 10.268 3.556 1.00 0.00 O ATOM 164 ND2 ASN A 26 -0.323 10.252 4.874 1.00 0.00 N ATOM 0 H ASN A 26 0.166 7.025 4.376 1.00 0.00 H new ATOM 0 HA ASN A 26 2.675 8.170 3.611 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.784 8.237 6.011 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.267 9.171 6.039 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.776 10.979 4.320 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.793 9.869 5.694 1.00 0.00 H new ATOM 171 N GLN A 27 2.833 6.092 6.154 1.00 0.00 N ATOM 172 CA GLN A 27 3.807 5.283 6.935 1.00 0.00 C ATOM 173 C GLN A 27 4.567 4.360 5.986 1.00 0.00 C ATOM 174 O GLN A 27 5.760 4.175 6.104 1.00 0.00 O ATOM 175 CB GLN A 27 2.958 4.471 7.911 1.00 0.00 C ATOM 176 CG GLN A 27 2.852 5.220 9.240 1.00 0.00 C ATOM 177 CD GLN A 27 3.097 4.246 10.393 1.00 0.00 C ATOM 178 OE1 GLN A 27 3.661 3.188 10.201 1.00 0.00 O ATOM 179 NE2 GLN A 27 2.692 4.562 11.593 1.00 0.00 N ATOM 0 H GLN A 27 1.853 5.947 6.399 1.00 0.00 H new ATOM 0 HA GLN A 27 4.542 5.894 7.459 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.964 4.305 7.495 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.405 3.490 8.069 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.581 6.030 9.273 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.866 5.674 9.336 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.218 5.451 11.754 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.849 3.920 12.370 1.00 0.00 H new ATOM 188 N LEU A 28 3.879 3.790 5.035 1.00 0.00 N ATOM 189 CA LEU A 28 4.564 2.893 4.065 1.00 0.00 C ATOM 190 C LEU A 28 5.569 3.702 3.250 1.00 0.00 C ATOM 191 O LEU A 28 6.756 3.638 3.474 1.00 0.00 O ATOM 192 CB LEU A 28 3.450 2.356 3.164 1.00 0.00 C ATOM 193 CG LEU A 28 3.368 0.837 3.295 1.00 0.00 C ATOM 194 CD1 LEU A 28 2.043 0.452 3.955 1.00 0.00 C ATOM 195 CD2 LEU A 28 3.448 0.204 1.903 1.00 0.00 C ATOM 0 H LEU A 28 2.876 3.907 4.889 1.00 0.00 H new ATOM 0 HA LEU A 28 5.111 2.086 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.497 2.806 3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.643 2.631 2.127 1.00 0.00 H new ATOM 0 HG LEU A 28 4.195 0.478 3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.985 -0.632 4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.984 0.905 4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.215 0.809 3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.390 -0.881 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.620 0.563 1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.392 0.479 1.432 1.00 0.00 H new ATOM 207 N TRP A 29 5.089 4.473 2.315 1.00 0.00 N ATOM 208 CA TRP A 29 5.989 5.313 1.477 1.00 0.00 C ATOM 209 C TRP A 29 7.143 5.880 2.316 1.00 0.00 C ATOM 210 O TRP A 29 8.312 5.661 2.032 1.00 0.00 O ATOM 211 CB TRP A 29 5.061 6.424 0.995 1.00 0.00 C ATOM 212 CG TRP A 29 5.803 7.404 0.160 1.00 0.00 C ATOM 213 CD1 TRP A 29 5.774 8.740 0.337 1.00 0.00 C ATOM 214 CD2 TRP A 29 6.659 7.158 -0.988 1.00 0.00 C ATOM 215 NE1 TRP A 29 6.578 9.335 -0.618 1.00 0.00 N ATOM 216 CE2 TRP A 29 7.141 8.400 -1.463 1.00 0.00 C ATOM 217 CE3 TRP A 29 7.064 5.990 -1.655 1.00 0.00 C ATOM 218 CZ2 TRP A 29 7.994 8.480 -2.560 1.00 0.00 C ATOM 219 CZ3 TRP A 29 7.919 6.066 -2.762 1.00 0.00 C ATOM 220 CH2 TRP A 29 8.383 7.309 -3.213 1.00 0.00 C ATOM 0 H TRP A 29 4.097 4.558 2.093 1.00 0.00 H new ATOM 0 HA TRP A 29 6.462 4.765 0.662 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.241 5.995 0.419 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.617 6.931 1.852 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.214 9.261 1.100 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.735 10.340 -0.689 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.714 5.027 -1.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.352 9.440 -2.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 8.222 5.162 -3.270 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.042 7.361 -4.067 1.00 0.00 H new ATOM 231 N GLU A 30 6.826 6.606 3.349 1.00 0.00 N ATOM 232 CA GLU A 30 7.893 7.187 4.205 1.00 0.00 C ATOM 233 C GLU A 30 8.893 6.106 4.621 1.00 0.00 C ATOM 234 O GLU A 30 10.091 6.289 4.519 1.00 0.00 O ATOM 235 CB GLU A 30 7.163 7.746 5.428 1.00 0.00 C ATOM 236 CG GLU A 30 6.492 9.073 5.063 1.00 0.00 C ATOM 237 CD GLU A 30 7.533 10.194 5.076 1.00 0.00 C ATOM 238 OE1 GLU A 30 8.620 9.960 5.578 1.00 0.00 O ATOM 239 OE2 GLU A 30 7.226 11.267 4.585 1.00 0.00 O ATOM 0 H GLU A 30 5.872 6.822 3.638 1.00 0.00 H new ATOM 0 HA GLU A 30 8.462 7.957 3.684 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.416 7.033 5.776 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.866 7.896 6.247 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.032 9.001 4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.694 9.296 5.771 1.00 0.00 H new ATOM 246 N LYS A 31 8.425 4.975 5.084 1.00 0.00 N ATOM 247 CA LYS A 31 9.382 3.909 5.487 1.00 0.00 C ATOM 248 C LYS A 31 10.269 3.563 4.298 1.00 0.00 C ATOM 249 O LYS A 31 11.473 3.475 4.416 1.00 0.00 O ATOM 250 CB LYS A 31 8.533 2.712 5.903 1.00 0.00 C ATOM 251 CG LYS A 31 9.303 1.895 6.942 1.00 0.00 C ATOM 252 CD LYS A 31 8.330 1.041 7.752 1.00 0.00 C ATOM 253 CE LYS A 31 8.595 -0.435 7.461 1.00 0.00 C ATOM 254 NZ LYS A 31 9.487 -0.892 8.563 1.00 0.00 N ATOM 0 H LYS A 31 7.437 4.748 5.198 1.00 0.00 H new ATOM 0 HA LYS A 31 10.031 4.220 6.306 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.583 3.050 6.318 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.301 2.095 5.035 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.036 1.258 6.447 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.856 2.561 7.605 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.451 1.241 8.817 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.302 1.296 7.494 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.667 -1.006 7.442 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.070 -0.566 6.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.713 -1.899 8.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.365 -0.335 8.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.006 -0.762 9.476 1.00 0.00 H new ATOM 268 N ALA A 32 9.687 3.390 3.144 1.00 0.00 N ATOM 269 CA ALA A 32 10.504 3.084 1.949 1.00 0.00 C ATOM 270 C ALA A 32 11.643 4.095 1.875 1.00 0.00 C ATOM 271 O ALA A 32 12.783 3.753 1.628 1.00 0.00 O ATOM 272 CB ALA A 32 9.552 3.243 0.764 1.00 0.00 C ATOM 0 H ALA A 32 8.682 3.448 2.982 1.00 0.00 H new ATOM 0 HA ALA A 32 10.943 2.086 1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.086 3.032 -0.163 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.720 2.547 0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.170 4.264 0.738 1.00 0.00 H new ATOM 278 N GLN A 33 11.341 5.343 2.112 1.00 0.00 N ATOM 279 CA GLN A 33 12.408 6.383 2.083 1.00 0.00 C ATOM 280 C GLN A 33 13.426 6.099 3.188 1.00 0.00 C ATOM 281 O GLN A 33 14.614 6.288 3.019 1.00 0.00 O ATOM 282 CB GLN A 33 11.682 7.700 2.341 1.00 0.00 C ATOM 283 CG GLN A 33 10.651 7.912 1.239 1.00 0.00 C ATOM 284 CD GLN A 33 9.565 8.865 1.725 1.00 0.00 C ATOM 285 OE1 GLN A 33 9.812 9.726 2.547 1.00 0.00 O ATOM 286 NE2 GLN A 33 8.364 8.740 1.247 1.00 0.00 N ATOM 0 H GLN A 33 10.404 5.686 2.324 1.00 0.00 H new ATOM 0 HA GLN A 33 12.953 6.404 1.139 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.195 7.678 3.316 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.393 8.526 2.358 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.133 8.319 0.350 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.209 6.958 0.953 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.162 8.016 0.558 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.622 9.366 1.561 1.00 0.00 H new ATOM 295 N ARG A 34 12.963 5.638 4.319 1.00 0.00 N ATOM 296 CA ARG A 34 13.897 5.328 5.440 1.00 0.00 C ATOM 297 C ARG A 34 14.802 4.151 5.055 1.00 0.00 C ATOM 298 O ARG A 34 15.918 4.036 5.522 1.00 0.00 O ATOM 299 CB ARG A 34 12.994 4.946 6.614 1.00 0.00 C ATOM 300 CG ARG A 34 13.193 5.940 7.761 1.00 0.00 C ATOM 301 CD ARG A 34 14.653 5.907 8.216 1.00 0.00 C ATOM 302 NE ARG A 34 14.874 4.514 8.693 1.00 0.00 N ATOM 303 CZ ARG A 34 15.148 4.291 9.948 1.00 0.00 C ATOM 304 NH1 ARG A 34 14.181 4.166 10.813 1.00 0.00 N ATOM 305 NH2 ARG A 34 16.390 4.190 10.336 1.00 0.00 N ATOM 0 H ARG A 34 11.978 5.463 4.515 1.00 0.00 H new ATOM 0 HA ARG A 34 14.547 6.168 5.684 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.951 4.945 6.298 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.226 3.936 6.951 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.925 6.945 7.436 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.536 5.688 8.593 1.00 0.00 H new ATOM 0 HD2 ARG A 34 15.328 6.156 7.397 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.836 6.630 9.011 1.00 0.00 H new ATOM 0 HE ARG A 34 14.811 3.734 8.038 1.00 0.00 H new ATOM 0 HH11 ARG A 34 13.211 4.243 10.508 1.00 0.00 H new ATOM 0 HH12 ARG A 34 14.395 3.992 11.795 1.00 0.00 H new ATOM 0 HH21 ARG A 34 17.146 4.286 9.658 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.605 4.016 11.318 1.00 0.00 H new ATOM 319 N LEU A 35 14.330 3.279 4.203 1.00 0.00 N ATOM 320 CA LEU A 35 15.163 2.113 3.782 1.00 0.00 C ATOM 321 C LEU A 35 16.201 2.559 2.754 1.00 0.00 C ATOM 322 O LEU A 35 16.984 1.770 2.265 1.00 0.00 O ATOM 323 CB LEU A 35 14.180 1.124 3.152 1.00 0.00 C ATOM 324 CG LEU A 35 13.489 0.325 4.257 1.00 0.00 C ATOM 325 CD1 LEU A 35 12.182 1.019 4.642 1.00 0.00 C ATOM 326 CD2 LEU A 35 13.188 -1.089 3.753 1.00 0.00 C ATOM 0 H LEU A 35 13.403 3.324 3.780 1.00 0.00 H new ATOM 0 HA LEU A 35 15.705 1.669 4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.440 1.659 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.707 0.451 2.476 1.00 0.00 H new ATOM 0 HG LEU A 35 14.141 0.267 5.128 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.687 0.451 5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.396 2.026 5.000 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.530 1.075 3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.695 -1.659 4.541 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.535 -1.034 2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.120 -1.583 3.477 1.00 0.00 H new ATOM 338 N HIS A 36 16.206 3.821 2.424 1.00 0.00 N ATOM 339 CA HIS A 36 17.187 4.338 1.428 1.00 0.00 C ATOM 340 C HIS A 36 16.962 3.682 0.063 1.00 0.00 C ATOM 341 O HIS A 36 17.848 3.651 -0.767 1.00 0.00 O ATOM 342 CB HIS A 36 18.563 3.969 1.986 1.00 0.00 C ATOM 343 CG HIS A 36 18.688 4.475 3.396 1.00 0.00 C ATOM 344 ND1 HIS A 36 18.318 3.935 4.603 1.00 0.00 N flip ATOM 345 CD2 HIS A 36 19.266 5.701 3.690 1.00 0.00 C flip ATOM 346 CE1 HIS A 36 18.660 4.809 5.631 1.00 0.00 C flip ATOM 347 NE2 HIS A 36 19.227 5.856 5.027 1.00 0.00 N flip ATOM 0 H HIS A 36 15.569 4.521 2.804 1.00 0.00 H new ATOM 0 HA HIS A 36 17.087 5.413 1.278 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.697 2.888 1.964 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.347 4.400 1.363 1.00 0.00 H new ATOM 0 HD2 HIS A 36 19.673 6.403 2.977 1.00 0.00 H new ATOM 0 HE1 HIS A 36 18.501 4.670 6.690 1.00 0.00 H new ATOM 0 HE2 HIS A 36 19.587 6.674 5.519 1.00 0.00 H new ATOM 355 N LEU A 37 15.787 3.162 -0.185 1.00 0.00 N ATOM 356 CA LEU A 37 15.531 2.523 -1.506 1.00 0.00 C ATOM 357 C LEU A 37 16.097 3.393 -2.629 1.00 0.00 C ATOM 358 O LEU A 37 16.407 4.551 -2.429 1.00 0.00 O ATOM 359 CB LEU A 37 14.007 2.467 -1.643 1.00 0.00 C ATOM 360 CG LEU A 37 13.429 1.292 -0.856 1.00 0.00 C ATOM 361 CD1 LEU A 37 11.906 1.345 -0.947 1.00 0.00 C ATOM 362 CD2 LEU A 37 13.912 -0.029 -1.455 1.00 0.00 C ATOM 0 H LEU A 37 15.001 3.153 0.465 1.00 0.00 H new ATOM 0 HA LEU A 37 15.995 1.539 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.572 3.399 -1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.736 2.373 -2.695 1.00 0.00 H new ATOM 0 HG LEU A 37 13.755 1.357 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.479 0.511 -0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.549 2.285 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.601 1.277 -1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.494 -0.860 -0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.586 -0.099 -2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.000 -0.071 -1.413 1.00 0.00 H new ATOM 374 N PRO A 38 16.168 2.805 -3.786 1.00 0.00 N ATOM 375 CA PRO A 38 16.640 3.526 -4.984 1.00 0.00 C ATOM 376 C PRO A 38 15.481 4.367 -5.523 1.00 0.00 C ATOM 377 O PRO A 38 14.368 4.248 -5.050 1.00 0.00 O ATOM 378 CB PRO A 38 16.992 2.410 -5.959 1.00 0.00 C ATOM 379 CG PRO A 38 16.150 1.244 -5.540 1.00 0.00 C ATOM 380 CD PRO A 38 15.825 1.418 -4.076 1.00 0.00 C ATOM 0 HA PRO A 38 17.482 4.194 -4.804 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.777 2.702 -6.987 1.00 0.00 H new ATOM 0 HB3 PRO A 38 18.053 2.166 -5.913 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.236 1.199 -6.132 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.683 0.308 -5.705 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.772 1.220 -3.877 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.401 0.729 -3.457 1.00 0.00 H new ATOM 388 N PRO A 39 15.763 5.188 -6.490 1.00 0.00 N ATOM 389 CA PRO A 39 14.704 6.043 -7.071 1.00 0.00 C ATOM 390 C PRO A 39 13.708 5.196 -7.870 1.00 0.00 C ATOM 391 O PRO A 39 12.554 5.554 -8.021 1.00 0.00 O ATOM 392 CB PRO A 39 15.474 7.000 -7.973 1.00 0.00 C ATOM 393 CG PRO A 39 16.739 6.277 -8.311 1.00 0.00 C ATOM 394 CD PRO A 39 17.064 5.397 -7.132 1.00 0.00 C ATOM 0 HA PRO A 39 14.110 6.566 -6.321 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.905 7.241 -8.871 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.681 7.942 -7.465 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.614 5.682 -9.215 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.548 6.982 -8.502 1.00 0.00 H new ATOM 0 HD2 PRO A 39 17.512 4.454 -7.447 1.00 0.00 H new ATOM 0 HD3 PRO A 39 17.772 5.877 -6.456 1.00 0.00 H new ATOM 402 N VAL A 40 14.136 4.072 -8.378 1.00 0.00 N ATOM 403 CA VAL A 40 13.202 3.210 -9.159 1.00 0.00 C ATOM 404 C VAL A 40 12.202 2.530 -8.231 1.00 0.00 C ATOM 405 O VAL A 40 11.030 2.464 -8.517 1.00 0.00 O ATOM 406 CB VAL A 40 14.074 2.158 -9.830 1.00 0.00 C ATOM 407 CG1 VAL A 40 14.642 1.214 -8.770 1.00 0.00 C ATOM 408 CG2 VAL A 40 13.217 1.363 -10.817 1.00 0.00 C ATOM 0 H VAL A 40 15.087 3.714 -8.287 1.00 0.00 H new ATOM 0 HA VAL A 40 12.634 3.795 -9.882 1.00 0.00 H new ATOM 0 HB VAL A 40 14.897 2.640 -10.358 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.266 0.461 -9.251 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.242 1.783 -8.060 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.823 0.724 -8.243 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.831 0.606 -11.304 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.400 0.879 -10.282 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.808 2.038 -11.569 1.00 0.00 H new ATOM 418 N ARG A 41 12.655 2.010 -7.129 1.00 0.00 N ATOM 419 CA ARG A 41 11.721 1.334 -6.200 1.00 0.00 C ATOM 420 C ARG A 41 10.870 2.373 -5.486 1.00 0.00 C ATOM 421 O ARG A 41 9.772 2.097 -5.056 1.00 0.00 O ATOM 422 CB ARG A 41 12.625 0.598 -5.222 1.00 0.00 C ATOM 423 CG ARG A 41 12.740 -0.861 -5.652 1.00 0.00 C ATOM 424 CD ARG A 41 12.981 -1.744 -4.433 1.00 0.00 C ATOM 425 NE ARG A 41 14.372 -1.452 -4.004 1.00 0.00 N ATOM 426 CZ ARG A 41 15.255 -2.412 -3.951 1.00 0.00 C ATOM 427 NH1 ARG A 41 14.912 -3.588 -3.500 1.00 0.00 N ATOM 428 NH2 ARG A 41 16.479 -2.197 -4.349 1.00 0.00 N ATOM 0 H ARG A 41 13.631 2.025 -6.833 1.00 0.00 H new ATOM 0 HA ARG A 41 11.032 0.655 -6.702 1.00 0.00 H new ATOM 0 HB2 ARG A 41 13.611 1.062 -5.199 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.218 0.662 -4.213 1.00 0.00 H new ATOM 0 HG2 ARG A 41 11.828 -1.172 -6.162 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.558 -0.976 -6.363 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.269 -1.520 -3.638 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.859 -2.798 -4.681 1.00 0.00 H new ATOM 0 HE ARG A 41 14.638 -0.500 -3.750 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.955 -3.756 -3.190 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.601 -4.339 -3.458 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.747 -1.278 -4.702 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.168 -2.948 -4.307 1.00 0.00 H new ATOM 442 N LEU A 42 11.363 3.572 -5.368 1.00 0.00 N ATOM 443 CA LEU A 42 10.568 4.629 -4.695 1.00 0.00 C ATOM 444 C LEU A 42 9.546 5.199 -5.678 1.00 0.00 C ATOM 445 O LEU A 42 8.463 5.595 -5.301 1.00 0.00 O ATOM 446 CB LEU A 42 11.580 5.693 -4.286 1.00 0.00 C ATOM 447 CG LEU A 42 12.417 5.167 -3.123 1.00 0.00 C ATOM 448 CD1 LEU A 42 13.787 5.841 -3.142 1.00 0.00 C ATOM 449 CD2 LEU A 42 11.701 5.480 -1.803 1.00 0.00 C ATOM 0 H LEU A 42 12.279 3.864 -5.708 1.00 0.00 H new ATOM 0 HA LEU A 42 10.015 4.256 -3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.224 5.943 -5.129 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.066 6.609 -3.995 1.00 0.00 H new ATOM 0 HG LEU A 42 12.545 4.089 -3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 42 14.388 5.468 -2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.289 5.618 -4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.663 6.919 -3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.295 5.106 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.575 6.558 -1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.723 4.998 -1.796 1.00 0.00 H new ATOM 461 N ALA A 43 9.872 5.228 -6.945 1.00 0.00 N ATOM 462 CA ALA A 43 8.894 5.752 -7.939 1.00 0.00 C ATOM 463 C ALA A 43 7.831 4.682 -8.183 1.00 0.00 C ATOM 464 O ALA A 43 6.640 4.936 -8.129 1.00 0.00 O ATOM 465 CB ALA A 43 9.707 6.013 -9.210 1.00 0.00 C ATOM 0 H ALA A 43 10.763 4.915 -7.329 1.00 0.00 H new ATOM 0 HA ALA A 43 8.388 6.659 -7.607 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.050 6.402 -9.988 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.490 6.742 -8.998 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.161 5.082 -9.549 1.00 0.00 H new ATOM 471 N GLU A 44 8.264 3.476 -8.419 1.00 0.00 N ATOM 472 CA GLU A 44 7.309 2.362 -8.637 1.00 0.00 C ATOM 473 C GLU A 44 6.521 2.147 -7.350 1.00 0.00 C ATOM 474 O GLU A 44 5.330 1.902 -7.365 1.00 0.00 O ATOM 475 CB GLU A 44 8.190 1.155 -8.948 1.00 0.00 C ATOM 476 CG GLU A 44 8.639 1.217 -10.410 1.00 0.00 C ATOM 477 CD GLU A 44 9.186 2.610 -10.730 1.00 0.00 C ATOM 478 OE1 GLU A 44 8.385 3.515 -10.899 1.00 0.00 O ATOM 479 OE2 GLU A 44 10.395 2.747 -10.797 1.00 0.00 O ATOM 0 H GLU A 44 9.249 3.215 -8.470 1.00 0.00 H new ATOM 0 HA GLU A 44 6.593 2.546 -9.438 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.058 1.145 -8.289 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.640 0.232 -8.764 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.405 0.465 -10.596 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.800 0.987 -11.067 1.00 0.00 H new ATOM 486 N LEU A 45 7.182 2.269 -6.229 1.00 0.00 N ATOM 487 CA LEU A 45 6.479 2.109 -4.929 1.00 0.00 C ATOM 488 C LEU A 45 5.388 3.167 -4.836 1.00 0.00 C ATOM 489 O LEU A 45 4.248 2.872 -4.567 1.00 0.00 O ATOM 490 CB LEU A 45 7.549 2.352 -3.865 1.00 0.00 C ATOM 491 CG LEU A 45 6.887 2.666 -2.521 1.00 0.00 C ATOM 492 CD1 LEU A 45 6.162 1.425 -1.997 1.00 0.00 C ATOM 493 CD2 LEU A 45 7.966 3.077 -1.524 1.00 0.00 C ATOM 0 H LEU A 45 8.179 2.473 -6.161 1.00 0.00 H new ATOM 0 HA LEU A 45 6.014 1.130 -4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.186 1.472 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.192 3.179 -4.166 1.00 0.00 H new ATOM 0 HG LEU A 45 6.167 3.474 -2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.693 1.655 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.398 1.121 -2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.878 0.614 -1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.506 3.303 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.679 2.261 -1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.486 3.961 -1.894 1.00 0.00 H new ATOM 505 N HIS A 46 5.737 4.402 -5.073 1.00 0.00 N ATOM 506 CA HIS A 46 4.724 5.488 -5.015 1.00 0.00 C ATOM 507 C HIS A 46 3.552 5.147 -5.929 1.00 0.00 C ATOM 508 O HIS A 46 2.408 5.354 -5.588 1.00 0.00 O ATOM 509 CB HIS A 46 5.444 6.735 -5.521 1.00 0.00 C ATOM 510 CG HIS A 46 4.713 7.955 -5.037 1.00 0.00 C ATOM 511 ND1 HIS A 46 3.620 8.479 -5.707 1.00 0.00 N ATOM 512 CD2 HIS A 46 4.903 8.756 -3.942 1.00 0.00 C ATOM 513 CE1 HIS A 46 3.196 9.551 -5.012 1.00 0.00 C ATOM 514 NE2 HIS A 46 3.944 9.763 -3.925 1.00 0.00 N ATOM 0 H HIS A 46 6.683 4.704 -5.305 1.00 0.00 H new ATOM 0 HA HIS A 46 4.326 5.630 -4.010 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.473 6.746 -5.162 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.486 6.729 -6.610 1.00 0.00 H new ATOM 0 HD1 HIS A 46 3.211 8.119 -6.569 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.680 8.625 -3.204 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.354 10.165 -5.298 1.00 0.00 H new ATOM 522 N ALA A 47 3.830 4.622 -7.091 1.00 0.00 N ATOM 523 CA ALA A 47 2.724 4.262 -8.024 1.00 0.00 C ATOM 524 C ALA A 47 1.816 3.212 -7.377 1.00 0.00 C ATOM 525 O ALA A 47 0.602 3.314 -7.408 1.00 0.00 O ATOM 526 CB ALA A 47 3.418 3.682 -9.258 1.00 0.00 C ATOM 0 H ALA A 47 4.771 4.427 -7.434 1.00 0.00 H new ATOM 0 HA ALA A 47 2.098 5.118 -8.275 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.668 3.392 -9.994 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.080 4.433 -9.690 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.001 2.807 -8.970 1.00 0.00 H new ATOM 532 N ASP A 48 2.395 2.201 -6.789 1.00 0.00 N ATOM 533 CA ASP A 48 1.574 1.140 -6.142 1.00 0.00 C ATOM 534 C ASP A 48 0.831 1.700 -4.926 1.00 0.00 C ATOM 535 O ASP A 48 -0.246 1.251 -4.591 1.00 0.00 O ATOM 536 CB ASP A 48 2.576 0.075 -5.706 1.00 0.00 C ATOM 537 CG ASP A 48 2.366 -1.191 -6.537 1.00 0.00 C ATOM 538 OD1 ASP A 48 1.269 -1.724 -6.503 1.00 0.00 O ATOM 539 OD2 ASP A 48 3.307 -1.608 -7.194 1.00 0.00 O ATOM 0 H ASP A 48 3.404 2.064 -6.729 1.00 0.00 H new ATOM 0 HA ASP A 48 0.817 0.742 -6.818 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.594 0.443 -5.835 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.449 -0.147 -4.646 1.00 0.00 H new ATOM 544 N LEU A 49 1.388 2.680 -4.269 1.00 0.00 N ATOM 545 CA LEU A 49 0.701 3.266 -3.089 1.00 0.00 C ATOM 546 C LEU A 49 -0.428 4.157 -3.572 1.00 0.00 C ATOM 547 O LEU A 49 -1.444 4.296 -2.927 1.00 0.00 O ATOM 548 CB LEU A 49 1.764 4.096 -2.379 1.00 0.00 C ATOM 549 CG LEU A 49 2.878 3.178 -1.893 1.00 0.00 C ATOM 550 CD1 LEU A 49 3.956 4.013 -1.208 1.00 0.00 C ATOM 551 CD2 LEU A 49 2.304 2.169 -0.903 1.00 0.00 C ATOM 0 H LEU A 49 2.289 3.099 -4.500 1.00 0.00 H new ATOM 0 HA LEU A 49 0.276 2.511 -2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.167 4.848 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.323 4.629 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 49 3.314 2.647 -2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.755 3.359 -0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.362 4.735 -1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.522 4.541 -0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.099 1.510 -0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.871 2.698 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.532 1.577 -1.394 1.00 0.00 H new ATOM 563 N LYS A 50 -0.261 4.747 -4.720 1.00 0.00 N ATOM 564 CA LYS A 50 -1.331 5.613 -5.258 1.00 0.00 C ATOM 565 C LYS A 50 -2.502 4.727 -5.655 1.00 0.00 C ATOM 566 O LYS A 50 -3.631 4.971 -5.289 1.00 0.00 O ATOM 567 CB LYS A 50 -0.728 6.301 -6.481 1.00 0.00 C ATOM 568 CG LYS A 50 0.212 7.425 -6.033 1.00 0.00 C ATOM 569 CD LYS A 50 -0.490 8.310 -4.998 1.00 0.00 C ATOM 570 CE LYS A 50 -1.909 8.633 -5.472 1.00 0.00 C ATOM 571 NZ LYS A 50 -2.222 9.957 -4.867 1.00 0.00 N ATOM 0 H LYS A 50 0.570 4.664 -5.305 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.690 6.351 -4.541 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.182 5.576 -7.085 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.521 6.706 -7.110 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.121 7.002 -5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.512 8.024 -6.893 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.525 7.801 -4.035 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.073 9.232 -4.852 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.963 8.673 -6.560 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.618 7.872 -5.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.145 10.287 -5.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.253 9.867 -3.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.487 10.643 -5.133 1.00 0.00 H new ATOM 585 N ILE A 51 -2.234 3.674 -6.376 1.00 0.00 N ATOM 586 CA ILE A 51 -3.332 2.753 -6.763 1.00 0.00 C ATOM 587 C ILE A 51 -3.939 2.156 -5.493 1.00 0.00 C ATOM 588 O ILE A 51 -5.139 2.007 -5.375 1.00 0.00 O ATOM 589 CB ILE A 51 -2.663 1.672 -7.610 1.00 0.00 C ATOM 590 CG1 ILE A 51 -2.163 2.287 -8.922 1.00 0.00 C ATOM 591 CG2 ILE A 51 -3.675 0.564 -7.915 1.00 0.00 C ATOM 592 CD1 ILE A 51 -3.255 3.174 -9.528 1.00 0.00 C ATOM 0 H ILE A 51 -1.306 3.414 -6.711 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.134 3.244 -7.315 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.819 1.251 -7.063 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.264 2.875 -8.739 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.891 1.498 -9.624 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -3.198 -0.208 -8.519 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -4.028 0.127 -6.981 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.520 0.983 -8.462 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.895 3.609 -10.460 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.143 2.574 -9.727 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.506 3.972 -8.829 1.00 0.00 H new ATOM 604 N GLN A 52 -3.117 1.833 -4.529 1.00 0.00 N ATOM 605 CA GLN A 52 -3.647 1.267 -3.260 1.00 0.00 C ATOM 606 C GLN A 52 -4.396 2.363 -2.498 1.00 0.00 C ATOM 607 O GLN A 52 -5.276 2.099 -1.701 1.00 0.00 O ATOM 608 CB GLN A 52 -2.408 0.802 -2.482 1.00 0.00 C ATOM 609 CG GLN A 52 -2.843 0.119 -1.185 1.00 0.00 C ATOM 610 CD GLN A 52 -3.675 -1.119 -1.514 1.00 0.00 C ATOM 611 OE1 GLN A 52 -4.742 -1.375 -0.810 1.00 0.00 O flip ATOM 612 NE2 GLN A 52 -3.352 -1.860 -2.421 1.00 0.00 N flip ATOM 0 H GLN A 52 -2.103 1.938 -4.568 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.345 0.445 -3.417 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.823 0.112 -3.090 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.766 1.654 -2.259 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.968 -0.163 -0.599 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.425 0.810 -0.576 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.517 -1.659 -2.971 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.916 -2.683 -2.632 1.00 0.00 H new ATOM 621 N GLU A 53 -4.062 3.598 -2.760 1.00 0.00 N ATOM 622 CA GLU A 53 -4.754 4.723 -2.075 1.00 0.00 C ATOM 623 C GLU A 53 -6.164 4.875 -2.648 1.00 0.00 C ATOM 624 O GLU A 53 -7.150 4.720 -1.955 1.00 0.00 O ATOM 625 CB GLU A 53 -3.904 5.953 -2.393 1.00 0.00 C ATOM 626 CG GLU A 53 -4.217 7.072 -1.402 1.00 0.00 C ATOM 627 CD GLU A 53 -3.790 8.409 -2.006 1.00 0.00 C ATOM 628 OE1 GLU A 53 -4.591 8.999 -2.712 1.00 0.00 O ATOM 629 OE2 GLU A 53 -2.670 8.821 -1.753 1.00 0.00 O ATOM 0 H GLU A 53 -3.337 3.875 -3.422 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.856 4.571 -1.001 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.846 5.697 -2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.103 6.290 -3.410 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.283 7.086 -1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.693 6.899 -0.462 1.00 0.00 H new ATOM 636 N ARG A 54 -6.265 5.158 -3.919 1.00 0.00 N ATOM 637 CA ARG A 54 -7.608 5.302 -4.540 1.00 0.00 C ATOM 638 C ARG A 54 -8.392 4.010 -4.339 1.00 0.00 C ATOM 639 O ARG A 54 -9.599 4.016 -4.205 1.00 0.00 O ATOM 640 CB ARG A 54 -7.346 5.543 -6.027 1.00 0.00 C ATOM 641 CG ARG A 54 -8.664 5.899 -6.717 1.00 0.00 C ATOM 642 CD ARG A 54 -8.403 6.228 -8.188 1.00 0.00 C ATOM 643 NE ARG A 54 -8.944 5.063 -8.940 1.00 0.00 N ATOM 644 CZ ARG A 54 -10.207 5.027 -9.269 1.00 0.00 C ATOM 645 NH1 ARG A 54 -10.681 5.890 -10.125 1.00 0.00 N ATOM 646 NH2 ARG A 54 -10.994 4.131 -8.742 1.00 0.00 N ATOM 0 H ARG A 54 -5.476 5.295 -4.551 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.187 6.115 -4.103 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.625 6.350 -6.156 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.912 4.652 -6.481 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.363 5.066 -6.639 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.127 6.752 -6.220 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.900 7.153 -8.481 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.339 6.363 -8.380 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.328 4.292 -9.198 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.065 6.591 -10.536 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.667 5.863 -10.383 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.623 3.457 -8.072 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.981 4.104 -9.000 1.00 0.00 H new ATOM 660 N ASP A 55 -7.708 2.901 -4.306 1.00 0.00 N ATOM 661 CA ASP A 55 -8.408 1.608 -4.103 1.00 0.00 C ATOM 662 C ASP A 55 -8.843 1.474 -2.644 1.00 0.00 C ATOM 663 O ASP A 55 -9.837 0.851 -2.349 1.00 0.00 O ATOM 664 CB ASP A 55 -7.380 0.533 -4.457 1.00 0.00 C ATOM 665 CG ASP A 55 -7.147 0.529 -5.970 1.00 0.00 C ATOM 666 OD1 ASP A 55 -7.766 1.335 -6.646 1.00 0.00 O ATOM 667 OD2 ASP A 55 -6.355 -0.279 -6.426 1.00 0.00 O ATOM 0 H ASP A 55 -6.695 2.837 -4.411 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.306 1.524 -4.716 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.443 0.725 -3.934 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.733 -0.445 -4.130 1.00 0.00 H new ATOM 672 N GLU A 56 -8.103 2.047 -1.727 1.00 0.00 N ATOM 673 CA GLU A 56 -8.486 1.930 -0.288 1.00 0.00 C ATOM 674 C GLU A 56 -9.609 2.905 0.071 1.00 0.00 C ATOM 675 O GLU A 56 -10.416 2.627 0.932 1.00 0.00 O ATOM 676 CB GLU A 56 -7.219 2.258 0.501 1.00 0.00 C ATOM 677 CG GLU A 56 -6.339 1.013 0.589 1.00 0.00 C ATOM 678 CD GLU A 56 -6.861 0.092 1.693 1.00 0.00 C ATOM 679 OE1 GLU A 56 -7.464 0.599 2.625 1.00 0.00 O ATOM 680 OE2 GLU A 56 -6.647 -1.106 1.590 1.00 0.00 O ATOM 0 H GLU A 56 -7.257 2.586 -1.911 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.863 0.933 -0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.675 3.068 0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.480 2.604 1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.338 0.488 -0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.308 1.298 0.797 1.00 0.00 H new ATOM 687 N LEU A 57 -9.692 4.032 -0.582 1.00 0.00 N ATOM 688 CA LEU A 57 -10.800 4.973 -0.264 1.00 0.00 C ATOM 689 C LEU A 57 -12.017 4.522 -1.051 1.00 0.00 C ATOM 690 O LEU A 57 -13.091 4.310 -0.515 1.00 0.00 O ATOM 691 CB LEU A 57 -10.344 6.353 -0.736 1.00 0.00 C ATOM 692 CG LEU A 57 -8.902 6.607 -0.305 1.00 0.00 C ATOM 693 CD1 LEU A 57 -8.102 7.068 -1.519 1.00 0.00 C ATOM 694 CD2 LEU A 57 -8.875 7.696 0.768 1.00 0.00 C ATOM 0 H LEU A 57 -9.049 4.338 -1.312 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.046 5.000 0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.424 6.419 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.996 7.121 -0.321 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.468 5.693 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.069 7.253 -1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.128 6.295 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.537 7.986 -1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.845 7.878 1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.301 8.615 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.460 7.373 1.629 1.00 0.00 H new ATOM 706 N ALA A 58 -11.838 4.331 -2.326 1.00 0.00 N ATOM 707 CA ALA A 58 -12.964 3.849 -3.156 1.00 0.00 C ATOM 708 C ALA A 58 -13.492 2.570 -2.520 1.00 0.00 C ATOM 709 O ALA A 58 -14.687 2.383 -2.336 1.00 0.00 O ATOM 710 CB ALA A 58 -12.360 3.569 -4.533 1.00 0.00 C ATOM 0 H ALA A 58 -10.962 4.488 -2.825 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.788 4.559 -3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.138 3.207 -5.205 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.931 4.487 -4.936 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.580 2.814 -4.441 1.00 0.00 H new ATOM 716 N TRP A 59 -12.610 1.688 -2.142 1.00 0.00 N ATOM 717 CA TRP A 59 -13.091 0.460 -1.493 1.00 0.00 C ATOM 718 C TRP A 59 -13.635 0.818 -0.110 1.00 0.00 C ATOM 719 O TRP A 59 -14.601 0.264 0.345 1.00 0.00 O ATOM 720 CB TRP A 59 -11.897 -0.472 -1.359 1.00 0.00 C ATOM 721 CG TRP A 59 -12.297 -1.552 -0.420 1.00 0.00 C ATOM 722 CD1 TRP A 59 -12.978 -2.668 -0.761 1.00 0.00 C ATOM 723 CD2 TRP A 59 -12.107 -1.598 1.016 1.00 0.00 C ATOM 724 NE1 TRP A 59 -13.205 -3.413 0.381 1.00 0.00 N ATOM 725 CE2 TRP A 59 -12.680 -2.794 1.506 1.00 0.00 C ATOM 726 CE3 TRP A 59 -11.487 -0.724 1.937 1.00 0.00 C ATOM 727 CZ2 TRP A 59 -12.642 -3.117 2.862 1.00 0.00 C ATOM 728 CZ3 TRP A 59 -11.451 -1.046 3.298 1.00 0.00 C ATOM 729 CH2 TRP A 59 -12.027 -2.239 3.762 1.00 0.00 C ATOM 0 H TRP A 59 -11.600 1.769 -2.255 1.00 0.00 H new ATOM 0 HA TRP A 59 -13.883 -0.018 -2.070 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.619 -0.886 -2.328 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -11.027 0.066 -0.981 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -13.293 -2.934 -1.759 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.697 -4.306 0.395 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -11.040 0.195 1.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -13.084 -4.037 3.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.977 -0.372 3.996 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -11.996 -2.480 4.814 1.00 0.00 H new ATOM 740 N LYS A 60 -13.036 1.750 0.572 1.00 0.00 N ATOM 741 CA LYS A 60 -13.592 2.101 1.901 1.00 0.00 C ATOM 742 C LYS A 60 -15.078 2.336 1.703 1.00 0.00 C ATOM 743 O LYS A 60 -15.899 1.964 2.519 1.00 0.00 O ATOM 744 CB LYS A 60 -12.860 3.356 2.342 1.00 0.00 C ATOM 745 CG LYS A 60 -11.952 2.997 3.509 1.00 0.00 C ATOM 746 CD LYS A 60 -10.600 3.680 3.333 1.00 0.00 C ATOM 747 CE LYS A 60 -10.299 4.513 4.576 1.00 0.00 C ATOM 748 NZ LYS A 60 -10.108 5.903 4.076 1.00 0.00 N ATOM 0 H LYS A 60 -12.210 2.270 0.277 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.466 1.331 2.662 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.275 3.763 1.517 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.572 4.126 2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.409 3.309 4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.821 1.916 3.562 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.819 2.935 3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.612 4.316 2.448 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.118 4.461 5.293 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.406 4.151 5.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.382 6.579 4.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.109 6.048 3.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.699 6.053 3.234 1.00 0.00 H new ATOM 762 N LYS A 61 -15.431 2.868 0.565 1.00 0.00 N ATOM 763 CA LYS A 61 -16.867 3.029 0.257 1.00 0.00 C ATOM 764 C LYS A 61 -17.420 1.617 0.088 1.00 0.00 C ATOM 765 O LYS A 61 -18.434 1.262 0.655 1.00 0.00 O ATOM 766 CB LYS A 61 -16.934 3.811 -1.053 1.00 0.00 C ATOM 767 CG LYS A 61 -18.388 4.181 -1.348 1.00 0.00 C ATOM 768 CD LYS A 61 -18.443 5.092 -2.575 1.00 0.00 C ATOM 769 CE LYS A 61 -18.608 4.241 -3.836 1.00 0.00 C ATOM 770 NZ LYS A 61 -17.228 3.795 -4.184 1.00 0.00 N ATOM 0 H LYS A 61 -14.787 3.194 -0.156 1.00 0.00 H new ATOM 0 HA LYS A 61 -17.437 3.555 1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -16.325 4.712 -0.983 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -16.527 3.213 -1.868 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -18.975 3.280 -1.524 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -18.828 4.685 -0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -19.274 5.792 -2.485 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -17.532 5.686 -2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -19.264 3.390 -3.655 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -19.052 4.819 -4.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.095 3.849 -5.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.535 4.411 -3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -17.090 2.814 -3.868 1.00 0.00 H new ATOM 784 N LEU A 62 -16.718 0.787 -0.656 1.00 0.00 N ATOM 785 CA LEU A 62 -17.177 -0.631 -0.813 1.00 0.00 C ATOM 786 C LEU A 62 -17.600 -1.155 0.565 1.00 0.00 C ATOM 787 O LEU A 62 -18.757 -1.386 0.828 1.00 0.00 O ATOM 788 CB LEU A 62 -15.952 -1.426 -1.310 1.00 0.00 C ATOM 789 CG LEU A 62 -16.015 -1.673 -2.819 1.00 0.00 C ATOM 790 CD1 LEU A 62 -16.887 -2.893 -3.099 1.00 0.00 C ATOM 791 CD2 LEU A 62 -16.582 -0.442 -3.530 1.00 0.00 C ATOM 0 H LEU A 62 -15.860 1.028 -1.153 1.00 0.00 H new ATOM 0 HA LEU A 62 -18.015 -0.722 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -15.040 -0.880 -1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -15.900 -2.381 -0.786 1.00 0.00 H new ATOM 0 HG LEU A 62 -15.009 -1.858 -3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.932 -3.069 -4.174 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -16.460 -3.766 -2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -17.893 -2.717 -2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -16.623 -0.628 -4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -17.586 -0.238 -3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -15.941 0.418 -3.335 1.00 0.00 H new ATOM 803 N LYS A 63 -16.647 -1.337 1.440 1.00 0.00 N ATOM 804 CA LYS A 63 -16.933 -1.839 2.816 1.00 0.00 C ATOM 805 C LYS A 63 -18.028 -1.010 3.505 1.00 0.00 C ATOM 806 O LYS A 63 -19.130 -1.475 3.716 1.00 0.00 O ATOM 807 CB LYS A 63 -15.598 -1.671 3.550 1.00 0.00 C ATOM 808 CG LYS A 63 -15.635 -2.413 4.886 1.00 0.00 C ATOM 809 CD LYS A 63 -15.859 -1.412 6.023 1.00 0.00 C ATOM 810 CE LYS A 63 -14.505 -0.950 6.570 1.00 0.00 C ATOM 811 NZ LYS A 63 -14.756 0.411 7.122 1.00 0.00 N ATOM 0 H LYS A 63 -15.661 -1.155 1.254 1.00 0.00 H new ATOM 0 HA LYS A 63 -17.298 -2.866 2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.785 -2.055 2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.398 -0.613 3.718 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.433 -3.156 4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.700 -2.951 5.041 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.429 -0.556 5.661 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.446 -1.873 6.817 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.139 -1.627 7.342 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.750 -0.924 5.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.912 0.739 7.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.965 1.068 6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.566 0.377 7.774 1.00 0.00 H new ATOM 825 N LEU A 64 -17.717 0.207 3.876 1.00 0.00 N ATOM 826 CA LEU A 64 -18.717 1.070 4.575 1.00 0.00 C ATOM 827 C LEU A 64 -20.129 0.855 4.020 1.00 0.00 C ATOM 828 O LEU A 64 -21.109 1.015 4.719 1.00 0.00 O ATOM 829 CB LEU A 64 -18.246 2.500 4.314 1.00 0.00 C ATOM 830 CG LEU A 64 -17.180 2.881 5.346 1.00 0.00 C ATOM 831 CD1 LEU A 64 -15.961 3.476 4.634 1.00 0.00 C ATOM 832 CD2 LEU A 64 -17.764 3.911 6.316 1.00 0.00 C ATOM 0 H LEU A 64 -16.807 0.642 3.723 1.00 0.00 H new ATOM 0 HA LEU A 64 -18.776 0.838 5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -17.838 2.582 3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -19.089 3.189 4.374 1.00 0.00 H new ATOM 0 HG LEU A 64 -16.872 1.993 5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.205 3.746 5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.548 2.741 3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.261 4.365 4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -17.009 4.186 7.053 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -18.071 4.799 5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -18.628 3.483 6.824 1.00 0.00 H new ATOM 844 N ASP A 65 -20.243 0.499 2.773 1.00 0.00 N ATOM 845 CA ASP A 65 -21.599 0.279 2.184 1.00 0.00 C ATOM 846 C ASP A 65 -22.099 -1.137 2.501 1.00 0.00 C ATOM 847 O ASP A 65 -23.140 -1.319 3.102 1.00 0.00 O ATOM 848 CB ASP A 65 -21.409 0.454 0.677 1.00 0.00 C ATOM 849 CG ASP A 65 -22.005 1.792 0.236 1.00 0.00 C ATOM 850 OD1 ASP A 65 -23.215 1.858 0.084 1.00 0.00 O ATOM 851 OD2 ASP A 65 -21.244 2.728 0.056 1.00 0.00 O ATOM 0 H ASP A 65 -19.461 0.350 2.135 1.00 0.00 H new ATOM 0 HA ASP A 65 -22.338 0.971 2.587 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -20.349 0.417 0.427 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -21.891 -0.364 0.142 1.00 0.00 H new ATOM 856 N GLY A 66 -21.367 -2.135 2.092 1.00 0.00 N ATOM 857 CA GLY A 66 -21.789 -3.539 2.353 1.00 0.00 C ATOM 858 C GLY A 66 -21.433 -4.400 1.138 1.00 0.00 C ATOM 859 O GLY A 66 -22.200 -5.240 0.713 1.00 0.00 O ATOM 0 H GLY A 66 -20.488 -2.037 1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -21.292 -3.922 3.244 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -22.862 -3.581 2.543 1.00 0.00 H new ATOM 863 N LEU A 67 -20.275 -4.186 0.569 1.00 0.00 N ATOM 864 CA LEU A 67 -19.869 -4.983 -0.627 1.00 0.00 C ATOM 865 C LEU A 67 -18.825 -6.034 -0.250 1.00 0.00 C ATOM 866 O LEU A 67 -18.918 -7.181 -0.641 1.00 0.00 O ATOM 867 CB LEU A 67 -19.265 -3.964 -1.592 1.00 0.00 C ATOM 868 CG LEU A 67 -20.388 -3.102 -2.182 1.00 0.00 C ATOM 869 CD1 LEU A 67 -20.041 -1.620 -2.045 1.00 0.00 C ATOM 870 CD2 LEU A 67 -20.563 -3.445 -3.662 1.00 0.00 C ATOM 0 H LEU A 67 -19.593 -3.494 0.881 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.712 -5.519 -1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -18.543 -3.335 -1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -18.726 -4.475 -2.389 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.313 -3.303 -1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -20.845 -1.017 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -19.916 -1.371 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -19.114 -1.413 -2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -21.361 -2.834 -4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -19.633 -3.246 -4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -20.821 -4.499 -3.763 1.00 0.00 H new ATOM 882 N ASP A 68 -17.825 -5.652 0.494 1.00 0.00 N ATOM 883 CA ASP A 68 -16.771 -6.632 0.880 1.00 0.00 C ATOM 884 C ASP A 68 -17.197 -7.411 2.126 1.00 0.00 C ATOM 885 O ASP A 68 -16.461 -7.517 3.087 1.00 0.00 O ATOM 886 CB ASP A 68 -15.533 -5.786 1.167 1.00 0.00 C ATOM 887 CG ASP A 68 -14.431 -6.671 1.754 1.00 0.00 C ATOM 888 OD1 ASP A 68 -13.853 -7.438 1.001 1.00 0.00 O ATOM 889 OD2 ASP A 68 -14.180 -6.564 2.943 1.00 0.00 O ATOM 0 H ASP A 68 -17.692 -4.706 0.851 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.587 -7.370 0.099 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.183 -5.313 0.250 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.781 -4.986 1.864 1.00 0.00 H new ATOM 894 N GLU A 69 -18.379 -7.961 2.116 1.00 0.00 N ATOM 895 CA GLU A 69 -18.853 -8.737 3.296 1.00 0.00 C ATOM 896 C GLU A 69 -18.114 -10.074 3.378 1.00 0.00 C ATOM 897 O GLU A 69 -18.292 -10.836 4.308 1.00 0.00 O ATOM 898 CB GLU A 69 -20.341 -8.971 3.041 1.00 0.00 C ATOM 899 CG GLU A 69 -21.039 -7.629 2.808 1.00 0.00 C ATOM 900 CD GLU A 69 -21.490 -7.046 4.148 1.00 0.00 C ATOM 901 OE1 GLU A 69 -20.722 -7.121 5.094 1.00 0.00 O ATOM 902 OE2 GLU A 69 -22.595 -6.532 4.206 1.00 0.00 O ATOM 0 H GLU A 69 -19.039 -7.907 1.340 1.00 0.00 H new ATOM 0 HA GLU A 69 -18.674 -8.212 4.234 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.474 -9.617 2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -20.790 -9.483 3.892 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -20.361 -6.937 2.309 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -21.898 -7.764 2.151 1.00 0.00 H new ATOM 909 N ASP A 70 -17.289 -10.368 2.411 1.00 0.00 N ATOM 910 CA ASP A 70 -16.546 -11.661 2.437 1.00 0.00 C ATOM 911 C ASP A 70 -15.037 -11.412 2.374 1.00 0.00 C ATOM 912 O ASP A 70 -14.249 -12.190 2.876 1.00 0.00 O ATOM 913 CB ASP A 70 -17.019 -12.410 1.191 1.00 0.00 C ATOM 914 CG ASP A 70 -17.169 -13.897 1.515 1.00 0.00 C ATOM 915 OD1 ASP A 70 -18.238 -14.282 1.958 1.00 0.00 O ATOM 916 OD2 ASP A 70 -16.211 -14.626 1.314 1.00 0.00 O ATOM 0 H ASP A 70 -17.097 -9.771 1.606 1.00 0.00 H new ATOM 0 HA ASP A 70 -16.732 -12.225 3.351 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -17.971 -12.004 0.849 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.305 -12.274 0.379 1.00 0.00 H new ATOM 921 N GLY A 71 -14.624 -10.335 1.764 1.00 0.00 N ATOM 922 CA GLY A 71 -13.166 -10.045 1.675 1.00 0.00 C ATOM 923 C GLY A 71 -12.706 -10.169 0.222 1.00 0.00 C ATOM 924 O GLY A 71 -11.579 -10.529 -0.054 1.00 0.00 O ATOM 0 H GLY A 71 -15.232 -9.645 1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -12.961 -9.041 2.047 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.608 -10.738 2.304 1.00 0.00 H new ATOM 928 N GLU A 72 -13.569 -9.874 -0.713 1.00 0.00 N ATOM 929 CA GLU A 72 -13.175 -9.978 -2.148 1.00 0.00 C ATOM 930 C GLU A 72 -12.507 -8.681 -2.604 1.00 0.00 C ATOM 931 O GLU A 72 -11.358 -8.669 -2.997 1.00 0.00 O ATOM 932 CB GLU A 72 -14.482 -10.204 -2.906 1.00 0.00 C ATOM 933 CG GLU A 72 -14.412 -11.533 -3.662 1.00 0.00 C ATOM 934 CD GLU A 72 -13.765 -11.309 -5.030 1.00 0.00 C ATOM 935 OE1 GLU A 72 -13.292 -10.210 -5.266 1.00 0.00 O ATOM 936 OE2 GLU A 72 -13.755 -12.240 -5.817 1.00 0.00 O ATOM 0 H GLU A 72 -14.527 -9.566 -0.546 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.461 -10.783 -2.323 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.321 -10.213 -2.210 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.656 -9.385 -3.604 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.835 -12.259 -3.090 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.413 -11.947 -3.785 1.00 0.00 H new ATOM 943 N LYS A 73 -13.212 -7.584 -2.550 1.00 0.00 N ATOM 944 CA LYS A 73 -12.599 -6.295 -2.974 1.00 0.00 C ATOM 945 C LYS A 73 -11.416 -5.977 -2.061 1.00 0.00 C ATOM 946 O LYS A 73 -10.317 -5.724 -2.513 1.00 0.00 O ATOM 947 CB LYS A 73 -13.703 -5.248 -2.810 1.00 0.00 C ATOM 948 CG LYS A 73 -14.975 -5.714 -3.526 1.00 0.00 C ATOM 949 CD LYS A 73 -14.622 -6.236 -4.920 1.00 0.00 C ATOM 950 CE LYS A 73 -14.120 -5.080 -5.789 1.00 0.00 C ATOM 951 NZ LYS A 73 -14.815 -5.249 -7.095 1.00 0.00 N ATOM 0 H LYS A 73 -14.180 -7.525 -2.233 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.228 -6.323 -3.998 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.909 -5.087 -1.752 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.374 -4.293 -3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.463 -6.498 -2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.682 -4.888 -3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.857 -7.009 -4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.497 -6.696 -5.379 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.356 -4.116 -5.338 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.037 -5.119 -5.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.521 -4.492 -7.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.566 -6.172 -7.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.844 -5.201 -6.950 1.00 0.00 H new ATOM 965 N GLU A 74 -11.635 -6.001 -0.776 1.00 0.00 N ATOM 966 CA GLU A 74 -10.526 -5.714 0.174 1.00 0.00 C ATOM 967 C GLU A 74 -9.384 -6.708 -0.042 1.00 0.00 C ATOM 968 O GLU A 74 -8.238 -6.422 0.241 1.00 0.00 O ATOM 969 CB GLU A 74 -11.136 -5.895 1.564 1.00 0.00 C ATOM 970 CG GLU A 74 -10.036 -5.808 2.623 1.00 0.00 C ATOM 971 CD GLU A 74 -10.672 -5.700 4.011 1.00 0.00 C ATOM 972 OE1 GLU A 74 -11.817 -6.097 4.149 1.00 0.00 O ATOM 973 OE2 GLU A 74 -10.003 -5.222 4.912 1.00 0.00 O ATOM 0 H GLU A 74 -12.535 -6.207 -0.343 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.113 -4.714 0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.889 -5.128 1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.641 -6.859 1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.396 -6.689 2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.402 -4.942 2.434 1.00 0.00 H new ATOM 980 N ALA A 75 -9.684 -7.876 -0.549 1.00 0.00 N ATOM 981 CA ALA A 75 -8.604 -8.876 -0.784 1.00 0.00 C ATOM 982 C ALA A 75 -7.582 -8.297 -1.761 1.00 0.00 C ATOM 983 O ALA A 75 -6.386 -8.428 -1.579 1.00 0.00 O ATOM 984 CB ALA A 75 -9.302 -10.092 -1.391 1.00 0.00 C ATOM 0 H ALA A 75 -10.623 -8.178 -0.808 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.071 -9.140 0.130 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.567 -10.871 -1.591 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.049 -10.469 -0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.789 -9.805 -2.323 1.00 0.00 H new ATOM 990 N ARG A 76 -8.043 -7.641 -2.792 1.00 0.00 N ATOM 991 CA ARG A 76 -7.093 -7.041 -3.768 1.00 0.00 C ATOM 992 C ARG A 76 -6.208 -6.018 -3.054 1.00 0.00 C ATOM 993 O ARG A 76 -5.067 -5.808 -3.413 1.00 0.00 O ATOM 994 CB ARG A 76 -7.966 -6.355 -4.817 1.00 0.00 C ATOM 995 CG ARG A 76 -7.081 -5.490 -5.714 1.00 0.00 C ATOM 996 CD ARG A 76 -7.467 -5.699 -7.180 1.00 0.00 C ATOM 997 NE ARG A 76 -6.865 -7.010 -7.551 1.00 0.00 N ATOM 998 CZ ARG A 76 -6.854 -7.393 -8.799 1.00 0.00 C ATOM 999 NH1 ARG A 76 -7.839 -7.063 -9.589 1.00 0.00 N ATOM 1000 NH2 ARG A 76 -5.860 -8.105 -9.256 1.00 0.00 N ATOM 0 H ARG A 76 -9.031 -7.496 -2.999 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.437 -7.784 -4.221 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.493 -7.100 -5.414 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.725 -5.741 -4.332 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.192 -4.439 -5.445 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.033 -5.748 -5.564 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.550 -5.712 -7.306 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.082 -4.896 -7.808 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.461 -7.608 -6.830 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.615 -6.507 -9.231 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.832 -7.361 -10.564 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.091 -8.363 -8.638 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.853 -8.404 -10.231 1.00 0.00 H new ATOM 1014 N LEU A 77 -6.727 -5.383 -2.037 1.00 0.00 N ATOM 1015 CA LEU A 77 -5.913 -4.381 -1.294 1.00 0.00 C ATOM 1016 C LEU A 77 -4.833 -5.094 -0.484 1.00 0.00 C ATOM 1017 O LEU A 77 -3.695 -4.673 -0.431 1.00 0.00 O ATOM 1018 CB LEU A 77 -6.898 -3.669 -0.362 1.00 0.00 C ATOM 1019 CG LEU A 77 -7.946 -2.932 -1.192 1.00 0.00 C ATOM 1020 CD1 LEU A 77 -9.067 -2.430 -0.281 1.00 0.00 C ATOM 1021 CD2 LEU A 77 -7.310 -1.740 -1.903 1.00 0.00 C ATOM 0 H LEU A 77 -7.677 -5.515 -1.690 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.411 -3.679 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.382 -4.393 0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.365 -2.965 0.278 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.353 -3.620 -1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.813 -1.905 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.535 -3.277 0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.654 -1.750 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.067 -1.222 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.894 -1.055 -1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.515 -2.091 -2.561 1.00 0.00 H new ATOM 1033 N ILE A 78 -5.186 -6.178 0.147 1.00 0.00 N ATOM 1034 CA ILE A 78 -4.187 -6.932 0.957 1.00 0.00 C ATOM 1035 C ILE A 78 -3.077 -7.475 0.054 1.00 0.00 C ATOM 1036 O ILE A 78 -1.912 -7.430 0.393 1.00 0.00 O ATOM 1037 CB ILE A 78 -4.976 -8.080 1.585 1.00 0.00 C ATOM 1038 CG1 ILE A 78 -5.911 -7.520 2.659 1.00 0.00 C ATOM 1039 CG2 ILE A 78 -4.003 -9.075 2.222 1.00 0.00 C ATOM 1040 CD1 ILE A 78 -6.962 -8.572 3.021 1.00 0.00 C ATOM 0 H ILE A 78 -6.125 -6.576 0.137 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.707 -6.307 1.709 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.563 -8.586 0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.339 -7.242 3.545 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.397 -6.615 2.296 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.563 -9.895 2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.333 -9.469 1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.419 -8.571 2.992 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.628 -8.173 3.786 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.541 -8.828 2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.467 -9.465 3.401 1.00 0.00 H new ATOM 1052 N ARG A 79 -3.429 -7.995 -1.091 1.00 0.00 N ATOM 1053 CA ARG A 79 -2.388 -8.544 -2.008 1.00 0.00 C ATOM 1054 C ARG A 79 -1.573 -7.412 -2.635 1.00 0.00 C ATOM 1055 O ARG A 79 -0.385 -7.538 -2.832 1.00 0.00 O ATOM 1056 CB ARG A 79 -3.166 -9.308 -3.077 1.00 0.00 C ATOM 1057 CG ARG A 79 -2.190 -10.098 -3.949 1.00 0.00 C ATOM 1058 CD ARG A 79 -2.972 -11.063 -4.842 1.00 0.00 C ATOM 1059 NE ARG A 79 -2.491 -12.417 -4.455 1.00 0.00 N ATOM 1060 CZ ARG A 79 -1.514 -12.973 -5.114 1.00 0.00 C ATOM 1061 NH1 ARG A 79 -1.762 -13.644 -6.206 1.00 0.00 N ATOM 1062 NH2 ARG A 79 -0.287 -12.857 -4.683 1.00 0.00 N ATOM 0 H ARG A 79 -4.388 -8.063 -1.430 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.677 -9.185 -1.486 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -3.881 -9.984 -2.608 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.739 -8.614 -3.691 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -1.599 -9.417 -4.561 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.491 -10.651 -3.322 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.046 -10.965 -4.684 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.785 -10.864 -5.897 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.926 -12.909 -3.675 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.720 -13.733 -6.543 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.997 -14.079 -6.722 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.093 -12.331 -3.831 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.478 -13.292 -5.199 1.00 0.00 H new ATOM 1076 N ASN A 80 -2.189 -6.302 -2.941 1.00 0.00 N ATOM 1077 CA ASN A 80 -1.412 -5.175 -3.532 1.00 0.00 C ATOM 1078 C ASN A 80 -0.388 -4.705 -2.504 1.00 0.00 C ATOM 1079 O ASN A 80 0.775 -4.503 -2.805 1.00 0.00 O ATOM 1080 CB ASN A 80 -2.435 -4.073 -3.810 1.00 0.00 C ATOM 1081 CG ASN A 80 -2.843 -4.106 -5.284 1.00 0.00 C ATOM 1082 OD1 ASN A 80 -2.896 -5.159 -5.889 1.00 0.00 O ATOM 1083 ND2 ASN A 80 -3.138 -2.990 -5.891 1.00 0.00 N ATOM 0 H ASN A 80 -3.185 -6.128 -2.809 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.881 -5.455 -4.442 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.312 -4.210 -3.177 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.012 -3.100 -3.562 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.413 -3.001 -6.873 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.094 -2.106 -5.384 1.00 0.00 H new ATOM 1090 N LEU A 81 -0.808 -4.552 -1.280 1.00 0.00 N ATOM 1091 CA LEU A 81 0.144 -4.124 -0.227 1.00 0.00 C ATOM 1092 C LEU A 81 1.246 -5.171 -0.108 1.00 0.00 C ATOM 1093 O LEU A 81 2.390 -4.898 -0.358 1.00 0.00 O ATOM 1094 CB LEU A 81 -0.673 -4.052 1.063 1.00 0.00 C ATOM 1095 CG LEU A 81 -0.238 -2.827 1.867 1.00 0.00 C ATOM 1096 CD1 LEU A 81 1.227 -2.980 2.279 1.00 0.00 C ATOM 1097 CD2 LEU A 81 -0.395 -1.573 1.003 1.00 0.00 C ATOM 0 H LEU A 81 -1.767 -4.705 -0.967 1.00 0.00 H new ATOM 0 HA LEU A 81 0.613 -3.165 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.736 -3.991 0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.527 -4.958 1.651 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.858 -2.738 2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.537 -2.106 2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.341 -3.875 2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.848 -3.068 1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.086 -0.697 1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.227 -1.664 0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.438 -1.463 0.707 1.00 0.00 H new ATOM 1109 N ASN A 82 0.901 -6.376 0.250 1.00 0.00 N ATOM 1110 CA ASN A 82 1.931 -7.446 0.367 1.00 0.00 C ATOM 1111 C ASN A 82 2.876 -7.398 -0.839 1.00 0.00 C ATOM 1112 O ASN A 82 4.070 -7.602 -0.722 1.00 0.00 O ATOM 1113 CB ASN A 82 1.127 -8.747 0.376 1.00 0.00 C ATOM 1114 CG ASN A 82 0.901 -9.196 1.820 1.00 0.00 C ATOM 1115 OD1 ASN A 82 1.839 -9.503 2.527 1.00 0.00 O ATOM 1116 ND2 ASN A 82 -0.316 -9.246 2.293 1.00 0.00 N ATOM 0 H ASN A 82 -0.052 -6.667 0.467 1.00 0.00 H new ATOM 0 HA ASN A 82 2.552 -7.341 1.256 1.00 0.00 H new ATOM 0 HB2 ASN A 82 0.170 -8.599 -0.124 1.00 0.00 H new ATOM 0 HB3 ASN A 82 1.660 -9.520 -0.177 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.477 -9.543 3.255 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.105 -8.988 1.700 1.00 0.00 H new ATOM 1123 N VAL A 83 2.346 -7.116 -1.996 1.00 0.00 N ATOM 1124 CA VAL A 83 3.195 -7.043 -3.218 1.00 0.00 C ATOM 1125 C VAL A 83 4.207 -5.907 -3.065 1.00 0.00 C ATOM 1126 O VAL A 83 5.387 -6.065 -3.321 1.00 0.00 O ATOM 1127 CB VAL A 83 2.200 -6.767 -4.349 1.00 0.00 C ATOM 1128 CG1 VAL A 83 2.926 -6.207 -5.572 1.00 0.00 C ATOM 1129 CG2 VAL A 83 1.497 -8.074 -4.726 1.00 0.00 C ATOM 0 H VAL A 83 1.354 -6.932 -2.149 1.00 0.00 H new ATOM 0 HA VAL A 83 3.772 -7.948 -3.406 1.00 0.00 H new ATOM 0 HB VAL A 83 1.468 -6.033 -4.011 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.205 -6.016 -6.367 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.426 -5.276 -5.304 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.666 -6.929 -5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.787 -7.886 -5.531 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.237 -8.802 -5.058 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.966 -8.465 -3.858 1.00 0.00 H new ATOM 1139 N ILE A 84 3.758 -4.771 -2.617 1.00 0.00 N ATOM 1140 CA ILE A 84 4.690 -3.631 -2.411 1.00 0.00 C ATOM 1141 C ILE A 84 5.692 -4.018 -1.324 1.00 0.00 C ATOM 1142 O ILE A 84 6.881 -3.909 -1.496 1.00 0.00 O ATOM 1143 CB ILE A 84 3.789 -2.476 -1.966 1.00 0.00 C ATOM 1144 CG1 ILE A 84 2.893 -2.065 -3.138 1.00 0.00 C ATOM 1145 CG2 ILE A 84 4.637 -1.279 -1.529 1.00 0.00 C ATOM 1146 CD1 ILE A 84 1.620 -1.402 -2.605 1.00 0.00 C ATOM 0 H ILE A 84 2.783 -4.582 -2.384 1.00 0.00 H new ATOM 0 HA ILE A 84 5.264 -3.359 -3.297 1.00 0.00 H new ATOM 0 HB ILE A 84 3.179 -2.800 -1.123 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.427 -1.376 -3.793 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.636 -2.939 -3.736 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.983 -0.465 -1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.278 -1.571 -0.697 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.255 -0.947 -2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.984 -1.110 -3.441 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.083 -2.105 -1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.886 -0.518 -2.026 1.00 0.00 H new ATOM 1158 N LEU A 85 5.210 -4.508 -0.219 1.00 0.00 N ATOM 1159 CA LEU A 85 6.119 -4.946 0.870 1.00 0.00 C ATOM 1160 C LEU A 85 7.096 -5.967 0.305 1.00 0.00 C ATOM 1161 O LEU A 85 8.191 -6.139 0.796 1.00 0.00 O ATOM 1162 CB LEU A 85 5.204 -5.610 1.896 1.00 0.00 C ATOM 1163 CG LEU A 85 4.538 -4.548 2.764 1.00 0.00 C ATOM 1164 CD1 LEU A 85 5.555 -3.988 3.757 1.00 0.00 C ATOM 1165 CD2 LEU A 85 4.000 -3.415 1.885 1.00 0.00 C ATOM 0 H LEU A 85 4.216 -4.624 -0.023 1.00 0.00 H new ATOM 0 HA LEU A 85 6.693 -4.129 1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.445 -6.205 1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.779 -6.294 2.520 1.00 0.00 H new ATOM 0 HG LEU A 85 3.709 -5.000 3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.078 -3.229 4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.926 -4.793 4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.387 -3.542 3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.526 -2.661 2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.823 -2.962 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.268 -3.815 1.183 1.00 0.00 H new ATOM 1177 N ALA A 86 6.695 -6.647 -0.731 1.00 0.00 N ATOM 1178 CA ALA A 86 7.596 -7.662 -1.351 1.00 0.00 C ATOM 1179 C ALA A 86 8.610 -6.963 -2.261 1.00 0.00 C ATOM 1180 O ALA A 86 9.729 -7.408 -2.424 1.00 0.00 O ATOM 1181 CB ALA A 86 6.673 -8.564 -2.171 1.00 0.00 C ATOM 0 H ALA A 86 5.783 -6.546 -1.177 1.00 0.00 H new ATOM 0 HA ALA A 86 8.161 -8.228 -0.610 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.263 -9.339 -2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.938 -9.028 -1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.159 -7.969 -2.926 1.00 0.00 H new ATOM 1187 N LYS A 87 8.218 -5.872 -2.858 1.00 0.00 N ATOM 1188 CA LYS A 87 9.143 -5.131 -3.765 1.00 0.00 C ATOM 1189 C LYS A 87 10.012 -4.156 -2.973 1.00 0.00 C ATOM 1190 O LYS A 87 10.995 -3.637 -3.466 1.00 0.00 O ATOM 1191 CB LYS A 87 8.227 -4.340 -4.690 1.00 0.00 C ATOM 1192 CG LYS A 87 9.061 -3.741 -5.817 1.00 0.00 C ATOM 1193 CD LYS A 87 8.174 -2.879 -6.713 1.00 0.00 C ATOM 1194 CE LYS A 87 8.193 -3.435 -8.135 1.00 0.00 C ATOM 1195 NZ LYS A 87 6.788 -3.313 -8.614 1.00 0.00 N ATOM 0 H LYS A 87 7.291 -5.458 -2.757 1.00 0.00 H new ATOM 0 HA LYS A 87 9.811 -5.808 -4.297 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.452 -4.989 -5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.721 -3.550 -4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.870 -3.139 -5.403 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.523 -4.536 -6.403 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.154 -2.867 -6.329 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.528 -1.848 -6.709 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.877 -2.872 -8.770 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.526 -4.473 -8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.720 -3.675 -9.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.161 -3.865 -7.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.501 -2.314 -8.596 1.00 0.00 H new ATOM 1209 N TYR A 88 9.643 -3.887 -1.760 1.00 0.00 N ATOM 1210 CA TYR A 88 10.422 -2.928 -0.934 1.00 0.00 C ATOM 1211 C TYR A 88 10.683 -3.515 0.451 1.00 0.00 C ATOM 1212 O TYR A 88 11.255 -2.874 1.310 1.00 0.00 O ATOM 1213 CB TYR A 88 9.521 -1.696 -0.819 1.00 0.00 C ATOM 1214 CG TYR A 88 8.977 -1.325 -2.176 1.00 0.00 C ATOM 1215 CD1 TYR A 88 9.834 -0.804 -3.147 1.00 0.00 C ATOM 1216 CD2 TYR A 88 7.619 -1.504 -2.462 1.00 0.00 C ATOM 1217 CE1 TYR A 88 9.338 -0.460 -4.408 1.00 0.00 C ATOM 1218 CE2 TYR A 88 7.118 -1.162 -3.722 1.00 0.00 C ATOM 1219 CZ TYR A 88 7.977 -0.641 -4.698 1.00 0.00 C ATOM 1220 OH TYR A 88 7.482 -0.294 -5.937 1.00 0.00 O ATOM 0 H TYR A 88 8.829 -4.292 -1.298 1.00 0.00 H new ATOM 0 HA TYR A 88 11.392 -2.696 -1.373 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.699 -1.899 -0.132 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.085 -0.861 -0.403 1.00 0.00 H new ATOM 0 HD1 TYR A 88 10.882 -0.666 -2.924 1.00 0.00 H new ATOM 0 HD2 TYR A 88 6.957 -1.907 -1.709 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.001 -0.055 -5.158 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.070 -1.299 -3.942 1.00 0.00 H new ATOM 0 HH TYR A 88 6.592 -0.687 -6.056 1.00 0.00 H new ATOM 1230 N GLY A 89 10.259 -4.726 0.678 1.00 0.00 N ATOM 1231 CA GLY A 89 10.474 -5.346 2.017 1.00 0.00 C ATOM 1232 C GLY A 89 10.133 -4.316 3.098 1.00 0.00 C ATOM 1233 O GLY A 89 10.851 -4.156 4.066 1.00 0.00 O ATOM 0 H GLY A 89 9.775 -5.312 -0.002 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.848 -6.231 2.128 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.509 -5.673 2.120 1.00 0.00 H new ATOM 1237 N LEU A 90 9.046 -3.608 2.931 1.00 0.00 N ATOM 1238 CA LEU A 90 8.661 -2.577 3.937 1.00 0.00 C ATOM 1239 C LEU A 90 8.008 -3.237 5.154 1.00 0.00 C ATOM 1240 O LEU A 90 7.696 -2.587 6.130 1.00 0.00 O ATOM 1241 CB LEU A 90 7.656 -1.679 3.213 1.00 0.00 C ATOM 1242 CG LEU A 90 8.393 -0.729 2.264 1.00 0.00 C ATOM 1243 CD1 LEU A 90 7.440 -0.279 1.152 1.00 0.00 C ATOM 1244 CD2 LEU A 90 8.876 0.496 3.044 1.00 0.00 C ATOM 0 H LEU A 90 8.409 -3.700 2.140 1.00 0.00 H new ATOM 0 HA LEU A 90 9.522 -2.018 4.305 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.948 -2.289 2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.079 -1.106 3.939 1.00 0.00 H new ATOM 0 HG LEU A 90 9.248 -1.244 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.963 0.397 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.092 -1.150 0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.586 0.236 1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 90 9.401 1.173 2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.020 1.010 3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.552 0.179 3.838 1.00 0.00 H new