USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=6 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 -132:sc= -5.81! (180deg=-11.9!) USER MOD Set 1.2: A 60 LYS NZ :NH3+ 145:sc= 1.02 (180deg=-0.179) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.329 K(o=0.33,f=-5!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -1.8 F(o=-2.6!,f=-1.8) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -3.7! C(o=-5.2!,f=-3.7!) USER MOD Single : A 46 HIS :FLIP no HE2:sc= 0.184 F(o=-2.1!,f=0.18) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -13.8! C(o=-14!,f=-20!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.0116 K(o=-0.012,f=-0.68) USER MOD Single : A 82 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.8!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot -15:sc= -1.97! USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 19 1.963 12.596 1.226 1.00 0.00 N ATOM 26 CA GLU A 19 1.892 11.872 -0.073 1.00 0.00 C ATOM 27 C GLU A 19 0.569 11.109 -0.176 1.00 0.00 C ATOM 28 O GLU A 19 -0.084 11.109 -1.201 1.00 0.00 O ATOM 29 CB GLU A 19 3.069 10.900 -0.035 1.00 0.00 C ATOM 30 CG GLU A 19 4.356 11.637 -0.405 1.00 0.00 C ATOM 31 CD GLU A 19 5.038 12.144 0.867 1.00 0.00 C ATOM 32 OE1 GLU A 19 5.623 11.331 1.565 1.00 0.00 O ATOM 33 OE2 GLU A 19 4.965 13.335 1.121 1.00 0.00 O ATOM 0 HA GLU A 19 1.939 12.543 -0.931 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.161 10.464 0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.897 10.077 -0.729 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.026 10.971 -0.948 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.131 12.473 -1.068 1.00 0.00 H new ATOM 40 N PHE A 20 0.173 10.460 0.883 1.00 0.00 N ATOM 41 CA PHE A 20 -1.101 9.695 0.866 1.00 0.00 C ATOM 42 C PHE A 20 -2.053 10.244 1.935 1.00 0.00 C ATOM 43 O PHE A 20 -1.667 11.040 2.765 1.00 0.00 O ATOM 44 CB PHE A 20 -0.674 8.261 1.167 1.00 0.00 C ATOM 45 CG PHE A 20 0.314 7.819 0.109 1.00 0.00 C ATOM 46 CD1 PHE A 20 1.692 8.042 0.283 1.00 0.00 C ATOM 47 CD2 PHE A 20 -0.148 7.201 -1.060 1.00 0.00 C ATOM 48 CE1 PHE A 20 2.596 7.640 -0.708 1.00 0.00 C ATOM 49 CE2 PHE A 20 0.758 6.803 -2.049 1.00 0.00 C ATOM 50 CZ PHE A 20 2.129 7.023 -1.874 1.00 0.00 C ATOM 0 H PHE A 20 0.683 10.428 1.766 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.639 9.765 -0.079 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.221 8.201 2.156 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.542 7.601 1.173 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.052 8.523 1.180 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.206 7.031 -1.198 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.654 7.806 -0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.399 6.325 -2.949 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.827 6.716 -2.639 1.00 0.00 H new ATOM 60 N ARG A 21 -3.300 9.849 1.912 1.00 0.00 N ATOM 61 CA ARG A 21 -4.264 10.383 2.921 1.00 0.00 C ATOM 62 C ARG A 21 -4.213 9.577 4.221 1.00 0.00 C ATOM 63 O ARG A 21 -4.150 10.129 5.302 1.00 0.00 O ATOM 64 CB ARG A 21 -5.644 10.244 2.281 1.00 0.00 C ATOM 65 CG ARG A 21 -5.763 11.213 1.109 1.00 0.00 C ATOM 66 CD ARG A 21 -5.336 10.496 -0.167 1.00 0.00 C ATOM 67 NE ARG A 21 -5.609 11.461 -1.267 1.00 0.00 N ATOM 68 CZ ARG A 21 -6.479 11.168 -2.194 1.00 0.00 C ATOM 69 NH1 ARG A 21 -7.756 11.262 -1.943 1.00 0.00 N ATOM 70 NH2 ARG A 21 -6.072 10.781 -3.372 1.00 0.00 N ATOM 0 H ARG A 21 -3.691 9.185 1.244 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.026 11.415 3.180 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.795 9.221 1.937 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.420 10.451 3.018 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.789 11.569 1.016 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.136 12.088 1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.280 10.226 -0.133 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.897 9.572 -0.306 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.115 12.353 -1.296 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.074 11.565 -1.022 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.436 11.033 -2.668 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.074 10.708 -3.568 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.752 10.552 -4.097 1.00 0.00 H new ATOM 84 N MET A 22 -4.265 8.279 4.127 1.00 0.00 N ATOM 85 CA MET A 22 -4.245 7.443 5.360 1.00 0.00 C ATOM 86 C MET A 22 -2.823 7.293 5.900 1.00 0.00 C ATOM 87 O MET A 22 -1.853 7.399 5.173 1.00 0.00 O ATOM 88 CB MET A 22 -4.802 6.092 4.921 1.00 0.00 C ATOM 89 CG MET A 22 -6.162 6.306 4.258 1.00 0.00 C ATOM 90 SD MET A 22 -7.005 4.718 4.087 1.00 0.00 S ATOM 91 CE MET A 22 -7.010 4.671 2.280 1.00 0.00 C ATOM 0 H MET A 22 -4.320 7.760 3.251 1.00 0.00 H new ATOM 0 HA MET A 22 -4.828 7.889 6.165 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.116 5.610 4.225 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.902 5.429 5.780 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.767 6.988 4.856 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.033 6.768 3.279 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.008 4.414 1.925 1.00 0.00 H new ATOM 0 HE2 MET A 22 -6.727 5.649 1.890 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.298 3.922 1.934 1.00 0.00 H new ATOM 101 N GLU A 23 -2.696 7.046 7.175 1.00 0.00 N ATOM 102 CA GLU A 23 -1.344 6.886 7.775 1.00 0.00 C ATOM 103 C GLU A 23 -0.771 5.512 7.427 1.00 0.00 C ATOM 104 O GLU A 23 0.390 5.241 7.649 1.00 0.00 O ATOM 105 CB GLU A 23 -1.559 7.022 9.283 1.00 0.00 C ATOM 106 CG GLU A 23 -0.287 6.609 10.025 1.00 0.00 C ATOM 107 CD GLU A 23 0.073 7.682 11.055 1.00 0.00 C ATOM 108 OE1 GLU A 23 -0.837 8.224 11.659 1.00 0.00 O ATOM 109 OE2 GLU A 23 1.253 7.943 11.223 1.00 0.00 O ATOM 0 H GLU A 23 -3.474 6.948 7.828 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.635 7.625 7.402 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.819 8.051 9.532 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.395 6.397 9.599 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.437 5.650 10.520 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.533 6.478 9.319 1.00 0.00 H new ATOM 116 N LYS A 24 -1.570 4.641 6.870 1.00 0.00 N ATOM 117 CA LYS A 24 -1.044 3.299 6.498 1.00 0.00 C ATOM 118 C LYS A 24 -0.154 3.451 5.257 1.00 0.00 C ATOM 119 O LYS A 24 1.025 3.144 5.282 1.00 0.00 O ATOM 120 CB LYS A 24 -2.294 2.431 6.251 1.00 0.00 C ATOM 121 CG LYS A 24 -2.442 2.042 4.773 1.00 0.00 C ATOM 122 CD LYS A 24 -3.388 0.844 4.658 1.00 0.00 C ATOM 123 CE LYS A 24 -4.720 1.176 5.338 1.00 0.00 C ATOM 124 NZ LYS A 24 -5.331 -0.145 5.658 1.00 0.00 N ATOM 0 H LYS A 24 -2.555 4.800 6.659 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.422 2.833 7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.234 1.528 6.859 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.182 2.974 6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.831 2.884 4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.468 1.793 4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.555 0.598 3.609 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.939 -0.033 5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.566 1.768 6.240 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.364 1.760 4.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.248 0.001 6.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.473 -0.684 4.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.699 -0.675 6.291 1.00 0.00 H new ATOM 138 N LEU A 25 -0.695 3.963 4.183 1.00 0.00 N ATOM 139 CA LEU A 25 0.147 4.167 2.975 1.00 0.00 C ATOM 140 C LEU A 25 1.230 5.174 3.327 1.00 0.00 C ATOM 141 O LEU A 25 2.392 4.945 3.109 1.00 0.00 O ATOM 142 CB LEU A 25 -0.775 4.740 1.896 1.00 0.00 C ATOM 143 CG LEU A 25 -2.028 3.874 1.743 1.00 0.00 C ATOM 144 CD1 LEU A 25 -2.777 4.304 0.486 1.00 0.00 C ATOM 145 CD2 LEU A 25 -1.642 2.399 1.606 1.00 0.00 C ATOM 0 H LEU A 25 -1.671 4.245 4.093 1.00 0.00 H new ATOM 0 HA LEU A 25 0.614 3.246 2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.060 5.759 2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.244 4.792 0.946 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.656 4.000 2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.672 3.692 0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.063 5.352 0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.133 4.175 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.543 1.796 1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.010 2.268 0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.097 2.081 2.495 1.00 0.00 H new ATOM 157 N ASN A 26 0.851 6.282 3.898 1.00 0.00 N ATOM 158 CA ASN A 26 1.865 7.297 4.291 1.00 0.00 C ATOM 159 C ASN A 26 3.043 6.601 4.969 1.00 0.00 C ATOM 160 O ASN A 26 4.172 6.707 4.538 1.00 0.00 O ATOM 161 CB ASN A 26 1.144 8.211 5.280 1.00 0.00 C ATOM 162 CG ASN A 26 0.716 9.491 4.569 1.00 0.00 C ATOM 163 OD1 ASN A 26 1.331 9.897 3.605 1.00 0.00 O ATOM 164 ND2 ASN A 26 -0.323 10.147 5.007 1.00 0.00 N ATOM 0 H ASN A 26 -0.116 6.528 4.109 1.00 0.00 H new ATOM 0 HA ASN A 26 2.258 7.852 3.440 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.273 7.703 5.693 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.800 8.449 6.117 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.620 11.003 4.539 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.838 9.804 5.818 1.00 0.00 H new ATOM 171 N GLN A 27 2.779 5.887 6.029 1.00 0.00 N ATOM 172 CA GLN A 27 3.871 5.174 6.749 1.00 0.00 C ATOM 173 C GLN A 27 4.629 4.249 5.795 1.00 0.00 C ATOM 174 O GLN A 27 5.824 4.072 5.908 1.00 0.00 O ATOM 175 CB GLN A 27 3.162 4.357 7.829 1.00 0.00 C ATOM 176 CG GLN A 27 3.109 5.163 9.129 1.00 0.00 C ATOM 177 CD GLN A 27 3.845 4.402 10.234 1.00 0.00 C ATOM 178 OE1 GLN A 27 5.059 4.373 10.262 1.00 0.00 O ATOM 179 NE2 GLN A 27 3.156 3.778 11.151 1.00 0.00 N ATOM 0 H GLN A 27 1.848 5.767 6.429 1.00 0.00 H new ATOM 0 HA GLN A 27 4.604 5.864 7.167 1.00 0.00 H new ATOM 0 HB2 GLN A 27 2.153 4.104 7.504 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.689 3.417 7.993 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.566 6.142 8.981 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.073 5.335 9.420 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.137 3.802 11.128 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.637 3.266 11.891 1.00 0.00 H new ATOM 188 N LEU A 28 3.944 3.646 4.861 1.00 0.00 N ATOM 189 CA LEU A 28 4.636 2.724 3.910 1.00 0.00 C ATOM 190 C LEU A 28 5.609 3.490 3.013 1.00 0.00 C ATOM 191 O LEU A 28 6.754 3.122 2.868 1.00 0.00 O ATOM 192 CB LEU A 28 3.514 2.105 3.072 1.00 0.00 C ATOM 193 CG LEU A 28 3.534 0.587 3.231 1.00 0.00 C ATOM 194 CD1 LEU A 28 2.359 0.151 4.109 1.00 0.00 C ATOM 195 CD2 LEU A 28 3.410 -0.063 1.852 1.00 0.00 C ATOM 0 H LEU A 28 2.940 3.750 4.714 1.00 0.00 H new ATOM 0 HA LEU A 28 5.226 1.972 4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.549 2.501 3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.640 2.373 2.023 1.00 0.00 H new ATOM 0 HG LEU A 28 4.469 0.278 3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.373 -0.933 4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.444 0.620 5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.423 0.455 3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.424 -1.148 1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.473 0.244 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.245 0.251 1.226 1.00 0.00 H new ATOM 207 N TRP A 29 5.155 4.543 2.411 1.00 0.00 N ATOM 208 CA TRP A 29 6.026 5.348 1.518 1.00 0.00 C ATOM 209 C TRP A 29 7.196 5.933 2.316 1.00 0.00 C ATOM 210 O TRP A 29 8.355 5.682 2.026 1.00 0.00 O ATOM 211 CB TRP A 29 5.083 6.436 1.017 1.00 0.00 C ATOM 212 CG TRP A 29 5.834 7.466 0.258 1.00 0.00 C ATOM 213 CD1 TRP A 29 5.817 8.784 0.533 1.00 0.00 C ATOM 214 CD2 TRP A 29 6.693 7.292 -0.900 1.00 0.00 C ATOM 215 NE1 TRP A 29 6.622 9.440 -0.381 1.00 0.00 N ATOM 216 CE2 TRP A 29 7.186 8.560 -1.288 1.00 0.00 C ATOM 217 CE3 TRP A 29 7.091 6.166 -1.643 1.00 0.00 C ATOM 218 CZ2 TRP A 29 8.045 8.703 -2.379 1.00 0.00 C ATOM 219 CZ3 TRP A 29 7.953 6.307 -2.739 1.00 0.00 C ATOM 220 CH2 TRP A 29 8.428 7.572 -3.106 1.00 0.00 C ATOM 0 H TRP A 29 4.199 4.889 2.500 1.00 0.00 H new ATOM 0 HA TRP A 29 6.479 4.781 0.705 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.315 5.995 0.381 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.571 6.899 1.861 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.266 9.252 1.335 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.780 10.448 -0.386 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.730 5.186 -1.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.411 9.680 -2.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 8.252 5.436 -3.303 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.091 7.674 -3.952 1.00 0.00 H new ATOM 231 N GLU A 30 6.909 6.697 3.332 1.00 0.00 N ATOM 232 CA GLU A 30 8.002 7.269 4.150 1.00 0.00 C ATOM 233 C GLU A 30 8.924 6.141 4.609 1.00 0.00 C ATOM 234 O GLU A 30 10.130 6.279 4.630 1.00 0.00 O ATOM 235 CB GLU A 30 7.306 7.934 5.335 1.00 0.00 C ATOM 236 CG GLU A 30 6.277 6.982 5.947 1.00 0.00 C ATOM 237 CD GLU A 30 6.804 6.448 7.280 1.00 0.00 C ATOM 238 OE1 GLU A 30 7.720 5.642 7.254 1.00 0.00 O ATOM 239 OE2 GLU A 30 6.282 6.854 8.306 1.00 0.00 O ATOM 0 H GLU A 30 5.965 6.947 3.627 1.00 0.00 H new ATOM 0 HA GLU A 30 8.616 7.986 3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.043 8.216 6.087 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.815 8.851 5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.331 7.502 6.100 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.080 6.155 5.265 1.00 0.00 H new ATOM 246 N LYS A 31 8.360 5.013 4.946 1.00 0.00 N ATOM 247 CA LYS A 31 9.196 3.855 5.364 1.00 0.00 C ATOM 248 C LYS A 31 10.179 3.563 4.231 1.00 0.00 C ATOM 249 O LYS A 31 11.372 3.437 4.431 1.00 0.00 O ATOM 250 CB LYS A 31 8.180 2.724 5.564 1.00 0.00 C ATOM 251 CG LYS A 31 8.829 1.352 5.379 1.00 0.00 C ATOM 252 CD LYS A 31 8.994 0.684 6.741 1.00 0.00 C ATOM 253 CE LYS A 31 10.431 0.877 7.198 1.00 0.00 C ATOM 254 NZ LYS A 31 10.757 -0.342 7.990 1.00 0.00 N ATOM 0 H LYS A 31 7.354 4.845 4.949 1.00 0.00 H new ATOM 0 HA LYS A 31 9.785 4.008 6.268 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.749 2.793 6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.361 2.839 4.855 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.213 0.731 4.729 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.799 1.458 4.893 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.304 1.120 7.464 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.756 -0.378 6.674 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.104 0.985 6.347 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.534 1.778 7.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.735 -0.279 8.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.106 -0.416 8.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.658 -1.184 7.388 1.00 0.00 H new ATOM 268 N ALA A 32 9.675 3.484 3.032 1.00 0.00 N ATOM 269 CA ALA A 32 10.550 3.244 1.862 1.00 0.00 C ATOM 270 C ALA A 32 11.703 4.241 1.900 1.00 0.00 C ATOM 271 O ALA A 32 12.858 3.875 1.818 1.00 0.00 O ATOM 272 CB ALA A 32 9.656 3.492 0.646 1.00 0.00 C ATOM 0 H ALA A 32 8.683 3.577 2.815 1.00 0.00 H new ATOM 0 HA ALA A 32 10.979 2.242 1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.231 3.334 -0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.813 2.802 0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.286 4.517 0.669 1.00 0.00 H new ATOM 278 N GLN A 33 11.398 5.501 2.047 1.00 0.00 N ATOM 279 CA GLN A 33 12.486 6.515 2.118 1.00 0.00 C ATOM 280 C GLN A 33 13.451 6.137 3.244 1.00 0.00 C ATOM 281 O GLN A 33 14.645 6.341 3.153 1.00 0.00 O ATOM 282 CB GLN A 33 11.783 7.836 2.425 1.00 0.00 C ATOM 283 CG GLN A 33 10.919 8.236 1.230 1.00 0.00 C ATOM 284 CD GLN A 33 9.909 9.300 1.657 1.00 0.00 C ATOM 285 OE1 GLN A 33 8.671 9.192 1.265 1.00 0.00 O flip ATOM 286 NE2 GLN A 33 10.250 10.234 2.354 1.00 0.00 N flip ATOM 0 H GLN A 33 10.450 5.870 2.120 1.00 0.00 H new ATOM 0 HA GLN A 33 13.066 6.580 1.198 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.165 7.734 3.317 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.518 8.613 2.633 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.548 8.620 0.427 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.398 7.363 0.838 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.220 10.315 2.659 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.566 10.937 2.635 1.00 0.00 H new ATOM 295 N ARG A 34 12.935 5.576 4.303 1.00 0.00 N ATOM 296 CA ARG A 34 13.809 5.168 5.439 1.00 0.00 C ATOM 297 C ARG A 34 14.742 4.034 5.006 1.00 0.00 C ATOM 298 O ARG A 34 15.879 3.968 5.423 1.00 0.00 O ATOM 299 CB ARG A 34 12.848 4.686 6.527 1.00 0.00 C ATOM 300 CG ARG A 34 13.347 5.157 7.893 1.00 0.00 C ATOM 301 CD ARG A 34 13.024 6.642 8.070 1.00 0.00 C ATOM 302 NE ARG A 34 14.342 7.297 8.293 1.00 0.00 N ATOM 303 CZ ARG A 34 14.398 8.508 8.777 1.00 0.00 C ATOM 304 NH1 ARG A 34 13.866 8.771 9.939 1.00 0.00 N ATOM 305 NH2 ARG A 34 14.982 9.456 8.098 1.00 0.00 N ATOM 0 H ARG A 34 11.942 5.382 4.431 1.00 0.00 H new ATOM 0 HA ARG A 34 14.441 5.985 5.788 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.847 5.074 6.340 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.777 3.598 6.509 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.876 4.575 8.685 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.422 4.995 7.975 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.526 7.046 7.188 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.355 6.803 8.915 1.00 0.00 H new ATOM 0 HE ARG A 34 15.203 6.799 8.067 1.00 0.00 H new ATOM 0 HH11 ARG A 34 13.407 8.030 10.469 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.910 9.717 10.317 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.395 9.251 7.188 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.025 10.402 8.477 1.00 0.00 H new ATOM 319 N LEU A 35 14.275 3.142 4.172 1.00 0.00 N ATOM 320 CA LEU A 35 15.154 2.021 3.719 1.00 0.00 C ATOM 321 C LEU A 35 16.175 2.530 2.698 1.00 0.00 C ATOM 322 O LEU A 35 17.016 1.793 2.227 1.00 0.00 O ATOM 323 CB LEU A 35 14.221 0.992 3.073 1.00 0.00 C ATOM 324 CG LEU A 35 12.913 0.870 3.866 1.00 0.00 C ATOM 325 CD1 LEU A 35 12.275 -0.486 3.571 1.00 0.00 C ATOM 326 CD2 LEU A 35 13.190 0.973 5.371 1.00 0.00 C ATOM 0 H LEU A 35 13.331 3.140 3.787 1.00 0.00 H new ATOM 0 HA LEU A 35 15.714 1.588 4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.003 1.286 2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.717 0.022 3.029 1.00 0.00 H new ATOM 0 HG LEU A 35 12.243 1.677 3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.345 -0.580 4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.066 -0.565 2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.959 -1.282 3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.253 0.885 5.920 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.864 0.171 5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.650 1.936 5.591 1.00 0.00 H new ATOM 338 N HIS A 36 16.108 3.789 2.363 1.00 0.00 N ATOM 339 CA HIS A 36 17.074 4.366 1.383 1.00 0.00 C ATOM 340 C HIS A 36 16.898 3.754 -0.014 1.00 0.00 C ATOM 341 O HIS A 36 17.800 3.808 -0.827 1.00 0.00 O ATOM 342 CB HIS A 36 18.465 4.032 1.936 1.00 0.00 C ATOM 343 CG HIS A 36 18.533 4.380 3.397 1.00 0.00 C ATOM 344 ND1 HIS A 36 18.248 3.655 4.527 1.00 0.00 N flip ATOM 345 CD2 HIS A 36 18.952 5.624 3.842 1.00 0.00 C flip ATOM 346 CE1 HIS A 36 18.487 4.433 5.655 1.00 0.00 C flip ATOM 347 NE2 HIS A 36 18.908 5.610 5.186 1.00 0.00 N flip ATOM 0 H HIS A 36 15.421 4.448 2.728 1.00 0.00 H new ATOM 0 HA HIS A 36 16.919 5.439 1.268 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.677 2.972 1.796 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.227 4.585 1.386 1.00 0.00 H new ATOM 0 HD2 HIS A 36 19.258 6.454 3.222 1.00 0.00 H new ATOM 0 HE1 HIS A 36 18.359 4.146 6.688 1.00 0.00 H new ATOM 0 HE2 HIS A 36 19.165 6.402 5.775 1.00 0.00 H new ATOM 355 N LEU A 37 15.755 3.189 -0.321 1.00 0.00 N ATOM 356 CA LEU A 37 15.577 2.612 -1.690 1.00 0.00 C ATOM 357 C LEU A 37 16.088 3.623 -2.720 1.00 0.00 C ATOM 358 O LEU A 37 16.166 4.802 -2.435 1.00 0.00 O ATOM 359 CB LEU A 37 14.062 2.435 -1.885 1.00 0.00 C ATOM 360 CG LEU A 37 13.495 1.342 -0.972 1.00 0.00 C ATOM 361 CD1 LEU A 37 11.974 1.320 -1.126 1.00 0.00 C ATOM 362 CD2 LEU A 37 14.038 -0.029 -1.380 1.00 0.00 C ATOM 0 H LEU A 37 14.953 3.103 0.303 1.00 0.00 H new ATOM 0 HA LEU A 37 16.115 1.671 -1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.556 3.379 -1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.856 2.183 -2.925 1.00 0.00 H new ATOM 0 HG LEU A 37 13.784 1.553 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.554 0.547 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.565 2.290 -0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.716 1.108 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.626 -0.794 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.751 -0.243 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.125 -0.028 -1.300 1.00 0.00 H new ATOM 374 N PRO A 38 16.386 3.146 -3.895 1.00 0.00 N ATOM 375 CA PRO A 38 16.837 4.048 -4.975 1.00 0.00 C ATOM 376 C PRO A 38 15.613 4.790 -5.525 1.00 0.00 C ATOM 377 O PRO A 38 14.505 4.531 -5.100 1.00 0.00 O ATOM 378 CB PRO A 38 17.440 3.099 -6.009 1.00 0.00 C ATOM 379 CG PRO A 38 16.780 1.778 -5.767 1.00 0.00 C ATOM 380 CD PRO A 38 16.337 1.748 -4.323 1.00 0.00 C ATOM 0 HA PRO A 38 17.556 4.807 -4.666 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.253 3.452 -7.023 1.00 0.00 H new ATOM 0 HB3 PRO A 38 18.521 3.026 -5.892 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.926 1.649 -6.432 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.471 0.961 -5.973 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.332 1.338 -4.225 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.996 1.125 -3.719 1.00 0.00 H new ATOM 388 N PRO A 39 15.834 5.691 -6.440 1.00 0.00 N ATOM 389 CA PRO A 39 14.702 6.463 -7.014 1.00 0.00 C ATOM 390 C PRO A 39 13.752 5.543 -7.786 1.00 0.00 C ATOM 391 O PRO A 39 12.598 5.404 -7.437 1.00 0.00 O ATOM 392 CB PRO A 39 15.388 7.474 -7.928 1.00 0.00 C ATOM 393 CG PRO A 39 16.707 6.855 -8.256 1.00 0.00 C ATOM 394 CD PRO A 39 17.119 6.076 -7.034 1.00 0.00 C ATOM 0 HA PRO A 39 14.080 6.945 -6.260 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.801 7.656 -8.828 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.515 8.436 -7.430 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.626 6.202 -9.125 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.446 7.618 -8.499 1.00 0.00 H new ATOM 0 HD2 PRO A 39 17.720 5.205 -7.294 1.00 0.00 H new ATOM 0 HD3 PRO A 39 17.714 6.682 -6.351 1.00 0.00 H new ATOM 402 N VAL A 40 14.224 4.906 -8.820 1.00 0.00 N ATOM 403 CA VAL A 40 13.341 3.988 -9.596 1.00 0.00 C ATOM 404 C VAL A 40 12.496 3.142 -8.643 1.00 0.00 C ATOM 405 O VAL A 40 11.329 2.888 -8.874 1.00 0.00 O ATOM 406 CB VAL A 40 14.306 3.090 -10.365 1.00 0.00 C ATOM 407 CG1 VAL A 40 14.997 2.132 -9.389 1.00 0.00 C ATOM 408 CG2 VAL A 40 13.531 2.281 -11.409 1.00 0.00 C ATOM 0 H VAL A 40 15.182 4.980 -9.162 1.00 0.00 H new ATOM 0 HA VAL A 40 12.654 4.526 -10.250 1.00 0.00 H new ATOM 0 HB VAL A 40 15.054 3.705 -10.865 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.687 1.490 -9.937 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.549 2.706 -8.645 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.247 1.518 -8.890 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.221 1.640 -11.958 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.782 1.665 -10.910 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.037 2.961 -12.103 1.00 0.00 H new ATOM 418 N ARG A 41 13.096 2.702 -7.576 1.00 0.00 N ATOM 419 CA ARG A 41 12.371 1.859 -6.586 1.00 0.00 C ATOM 420 C ARG A 41 11.268 2.661 -5.903 1.00 0.00 C ATOM 421 O ARG A 41 10.157 2.197 -5.752 1.00 0.00 O ATOM 422 CB ARG A 41 13.448 1.468 -5.581 1.00 0.00 C ATOM 423 CG ARG A 41 13.871 0.021 -5.820 1.00 0.00 C ATOM 424 CD ARG A 41 14.085 -0.683 -4.483 1.00 0.00 C ATOM 425 NE ARG A 41 12.780 -1.317 -4.200 1.00 0.00 N ATOM 426 CZ ARG A 41 12.718 -2.605 -3.990 1.00 0.00 C ATOM 427 NH1 ARG A 41 13.106 -3.096 -2.845 1.00 0.00 N ATOM 428 NH2 ARG A 41 12.270 -3.399 -4.924 1.00 0.00 N ATOM 0 H ARG A 41 14.071 2.892 -7.344 1.00 0.00 H new ATOM 0 HA ARG A 41 11.885 0.997 -7.042 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.308 2.130 -5.679 1.00 0.00 H new ATOM 0 HB3 ARG A 41 13.071 1.584 -4.565 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.107 -0.500 -6.398 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.789 -0.007 -6.407 1.00 0.00 H new ATOM 0 HD2 ARG A 41 14.883 -1.423 -4.545 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.364 0.023 -3.700 1.00 0.00 H new ATOM 0 HE ARG A 41 11.932 -0.751 -4.169 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.457 -2.475 -2.116 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.058 -4.101 -2.679 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.968 -3.014 -5.819 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.222 -4.404 -4.759 1.00 0.00 H new ATOM 442 N LEU A 42 11.561 3.862 -5.492 1.00 0.00 N ATOM 443 CA LEU A 42 10.514 4.683 -4.826 1.00 0.00 C ATOM 444 C LEU A 42 9.509 5.163 -5.867 1.00 0.00 C ATOM 445 O LEU A 42 8.444 5.643 -5.542 1.00 0.00 O ATOM 446 CB LEU A 42 11.257 5.862 -4.214 1.00 0.00 C ATOM 447 CG LEU A 42 12.218 5.347 -3.150 1.00 0.00 C ATOM 448 CD1 LEU A 42 13.549 6.081 -3.288 1.00 0.00 C ATOM 449 CD2 LEU A 42 11.627 5.610 -1.762 1.00 0.00 C ATOM 0 H LEU A 42 12.473 4.308 -5.587 1.00 0.00 H new ATOM 0 HA LEU A 42 9.961 4.125 -4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.805 6.403 -4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.550 6.565 -3.774 1.00 0.00 H new ATOM 0 HG LEU A 42 12.374 4.276 -3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 42 14.244 5.719 -2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.965 5.898 -4.279 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.390 7.151 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.313 5.242 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.475 6.681 -1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.671 5.094 -1.670 1.00 0.00 H new ATOM 461 N ALA A 43 9.837 5.029 -7.122 1.00 0.00 N ATOM 462 CA ALA A 43 8.891 5.463 -8.185 1.00 0.00 C ATOM 463 C ALA A 43 7.872 4.352 -8.427 1.00 0.00 C ATOM 464 O ALA A 43 6.679 4.582 -8.436 1.00 0.00 O ATOM 465 CB ALA A 43 9.751 5.695 -9.426 1.00 0.00 C ATOM 0 H ALA A 43 10.718 4.638 -7.456 1.00 0.00 H new ATOM 0 HA ALA A 43 8.339 6.364 -7.919 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.118 6.018 -10.252 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.494 6.465 -9.215 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.256 4.768 -9.697 1.00 0.00 H new ATOM 471 N GLU A 44 8.330 3.139 -8.590 1.00 0.00 N ATOM 472 CA GLU A 44 7.375 2.016 -8.789 1.00 0.00 C ATOM 473 C GLU A 44 6.596 1.822 -7.490 1.00 0.00 C ATOM 474 O GLU A 44 5.403 1.581 -7.485 1.00 0.00 O ATOM 475 CB GLU A 44 8.247 0.795 -9.088 1.00 0.00 C ATOM 476 CG GLU A 44 8.848 0.922 -10.489 1.00 0.00 C ATOM 477 CD GLU A 44 8.899 -0.457 -11.151 1.00 0.00 C ATOM 478 OE1 GLU A 44 7.893 -1.147 -11.112 1.00 0.00 O ATOM 479 OE2 GLU A 44 9.942 -0.799 -11.682 1.00 0.00 O ATOM 0 H GLU A 44 9.317 2.881 -8.594 1.00 0.00 H new ATOM 0 HA GLU A 44 6.660 2.189 -9.593 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.042 0.713 -8.347 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.651 -0.115 -9.018 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.249 1.605 -11.092 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.851 1.345 -10.429 1.00 0.00 H new ATOM 486 N LEU A 45 7.274 1.954 -6.383 1.00 0.00 N ATOM 487 CA LEU A 45 6.605 1.812 -5.064 1.00 0.00 C ATOM 488 C LEU A 45 5.565 2.920 -4.910 1.00 0.00 C ATOM 489 O LEU A 45 4.409 2.665 -4.647 1.00 0.00 O ATOM 490 CB LEU A 45 7.736 1.963 -4.034 1.00 0.00 C ATOM 491 CG LEU A 45 7.186 2.490 -2.702 1.00 0.00 C ATOM 492 CD1 LEU A 45 6.313 1.417 -2.044 1.00 0.00 C ATOM 493 CD2 LEU A 45 8.352 2.831 -1.771 1.00 0.00 C ATOM 0 H LEU A 45 8.273 2.156 -6.338 1.00 0.00 H new ATOM 0 HA LEU A 45 6.083 0.863 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.223 1.001 -3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.495 2.646 -4.416 1.00 0.00 H new ATOM 0 HG LEU A 45 6.588 3.382 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.924 1.794 -1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.483 1.168 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.911 0.524 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.964 3.206 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.947 1.936 -1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.976 3.595 -2.235 1.00 0.00 H new ATOM 505 N HIS A 46 5.967 4.152 -5.080 1.00 0.00 N ATOM 506 CA HIS A 46 4.994 5.271 -4.947 1.00 0.00 C ATOM 507 C HIS A 46 3.801 5.028 -5.866 1.00 0.00 C ATOM 508 O HIS A 46 2.670 5.272 -5.504 1.00 0.00 O ATOM 509 CB HIS A 46 5.746 6.532 -5.367 1.00 0.00 C ATOM 510 CG HIS A 46 4.932 7.732 -4.968 1.00 0.00 C ATOM 511 ND1 HIS A 46 4.974 8.539 -3.859 1.00 0.00 N flip ATOM 512 CD2 HIS A 46 3.892 8.211 -5.746 1.00 0.00 C flip ATOM 513 CE1 HIS A 46 3.976 9.504 -3.943 1.00 0.00 C flip ATOM 514 NE2 HIS A 46 3.353 9.261 -5.100 1.00 0.00 N flip ATOM 0 H HIS A 46 6.923 4.429 -5.304 1.00 0.00 H new ATOM 0 HA HIS A 46 4.611 5.361 -3.930 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.726 6.564 -4.891 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.915 6.531 -6.444 1.00 0.00 H new ATOM 0 HD1 HIS A 46 5.637 8.445 -3.089 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.572 7.814 -6.698 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.753 10.282 -3.228 1.00 0.00 H new ATOM 522 N ALA A 47 4.042 4.539 -7.052 1.00 0.00 N ATOM 523 CA ALA A 47 2.913 4.269 -7.981 1.00 0.00 C ATOM 524 C ALA A 47 1.991 3.224 -7.353 1.00 0.00 C ATOM 525 O ALA A 47 0.779 3.334 -7.396 1.00 0.00 O ATOM 526 CB ALA A 47 3.561 3.722 -9.252 1.00 0.00 C ATOM 0 H ALA A 47 4.969 4.316 -7.415 1.00 0.00 H new ATOM 0 HA ALA A 47 2.315 5.156 -8.191 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.788 3.498 -9.987 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.246 4.465 -9.660 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.112 2.811 -9.017 1.00 0.00 H new ATOM 532 N ASP A 48 2.563 2.210 -6.760 1.00 0.00 N ATOM 533 CA ASP A 48 1.729 1.157 -6.119 1.00 0.00 C ATOM 534 C ASP A 48 1.022 1.717 -4.880 1.00 0.00 C ATOM 535 O ASP A 48 -0.028 1.243 -4.496 1.00 0.00 O ATOM 536 CB ASP A 48 2.712 0.056 -5.725 1.00 0.00 C ATOM 537 CG ASP A 48 3.139 -0.719 -6.974 1.00 0.00 C ATOM 538 OD1 ASP A 48 3.846 -0.149 -7.789 1.00 0.00 O ATOM 539 OD2 ASP A 48 2.752 -1.870 -7.093 1.00 0.00 O ATOM 0 H ASP A 48 3.571 2.067 -6.693 1.00 0.00 H new ATOM 0 HA ASP A 48 0.950 0.788 -6.786 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.585 0.491 -5.238 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.249 -0.619 -5.006 1.00 0.00 H new ATOM 544 N LEU A 49 1.575 2.726 -4.253 1.00 0.00 N ATOM 545 CA LEU A 49 0.909 3.303 -3.057 1.00 0.00 C ATOM 546 C LEU A 49 -0.247 4.174 -3.502 1.00 0.00 C ATOM 547 O LEU A 49 -1.269 4.244 -2.855 1.00 0.00 O ATOM 548 CB LEU A 49 1.974 4.152 -2.376 1.00 0.00 C ATOM 549 CG LEU A 49 3.103 3.248 -1.909 1.00 0.00 C ATOM 550 CD1 LEU A 49 4.168 4.090 -1.212 1.00 0.00 C ATOM 551 CD2 LEU A 49 2.540 2.205 -0.941 1.00 0.00 C ATOM 0 H LEU A 49 2.454 3.169 -4.520 1.00 0.00 H new ATOM 0 HA LEU A 49 0.514 2.539 -2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.355 4.904 -3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.545 4.686 -1.529 1.00 0.00 H new ATOM 0 HG LEU A 49 3.553 2.741 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.979 3.445 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.559 4.832 -1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.727 4.596 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.344 1.552 -0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.094 2.708 -0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.780 1.611 -1.448 1.00 0.00 H new ATOM 563 N LYS A 50 -0.097 4.834 -4.612 1.00 0.00 N ATOM 564 CA LYS A 50 -1.198 5.690 -5.105 1.00 0.00 C ATOM 565 C LYS A 50 -2.333 4.795 -5.577 1.00 0.00 C ATOM 566 O LYS A 50 -3.483 5.023 -5.273 1.00 0.00 O ATOM 567 CB LYS A 50 -0.617 6.485 -6.268 1.00 0.00 C ATOM 568 CG LYS A 50 0.467 7.445 -5.758 1.00 0.00 C ATOM 569 CD LYS A 50 -0.103 8.353 -4.661 1.00 0.00 C ATOM 570 CE LYS A 50 -1.230 9.216 -5.236 1.00 0.00 C ATOM 571 NZ LYS A 50 -0.590 10.523 -5.550 1.00 0.00 N ATOM 0 H LYS A 50 0.739 4.816 -5.196 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.591 6.358 -4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.194 5.806 -7.008 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.407 7.047 -6.766 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.312 6.877 -5.368 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.844 8.051 -6.582 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.480 7.749 -3.836 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.685 8.989 -4.257 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.659 8.762 -6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.041 9.336 -4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.300 11.170 -5.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.196 10.935 -4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.174 10.378 -6.241 1.00 0.00 H new ATOM 585 N ILE A 51 -2.015 3.757 -6.298 1.00 0.00 N ATOM 586 CA ILE A 51 -3.082 2.835 -6.755 1.00 0.00 C ATOM 587 C ILE A 51 -3.722 2.185 -5.529 1.00 0.00 C ATOM 588 O ILE A 51 -4.929 2.050 -5.439 1.00 0.00 O ATOM 589 CB ILE A 51 -2.367 1.792 -7.614 1.00 0.00 C ATOM 590 CG1 ILE A 51 -1.820 2.463 -8.876 1.00 0.00 C ATOM 591 CG2 ILE A 51 -3.355 0.694 -8.006 1.00 0.00 C ATOM 592 CD1 ILE A 51 -2.907 3.340 -9.502 1.00 0.00 C ATOM 0 H ILE A 51 -1.068 3.511 -6.587 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.871 3.333 -7.318 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.544 1.354 -7.049 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.947 3.068 -8.630 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.493 1.707 -9.590 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.847 -0.051 -8.619 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.746 0.218 -7.107 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.178 1.130 -8.573 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.517 3.817 -10.401 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.767 2.723 -9.763 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.213 4.105 -8.788 1.00 0.00 H new ATOM 604 N GLN A 52 -2.921 1.804 -4.569 1.00 0.00 N ATOM 605 CA GLN A 52 -3.482 1.186 -3.340 1.00 0.00 C ATOM 606 C GLN A 52 -4.284 2.233 -2.569 1.00 0.00 C ATOM 607 O GLN A 52 -5.212 1.914 -1.860 1.00 0.00 O ATOM 608 CB GLN A 52 -2.259 0.726 -2.528 1.00 0.00 C ATOM 609 CG GLN A 52 -2.624 0.612 -1.042 1.00 0.00 C ATOM 610 CD GLN A 52 -3.935 -0.158 -0.888 1.00 0.00 C ATOM 611 OE1 GLN A 52 -4.846 0.299 -0.229 1.00 0.00 O ATOM 612 NE2 GLN A 52 -4.064 -1.317 -1.469 1.00 0.00 N ATOM 0 H GLN A 52 -1.905 1.895 -4.586 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.153 0.354 -3.553 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.908 -0.237 -2.899 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.441 1.434 -2.656 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.827 0.103 -0.500 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.722 1.606 -0.605 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.297 -1.698 -2.022 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.932 -1.843 -1.371 1.00 0.00 H new ATOM 621 N GLU A 53 -3.934 3.481 -2.709 1.00 0.00 N ATOM 622 CA GLU A 53 -4.678 4.542 -1.982 1.00 0.00 C ATOM 623 C GLU A 53 -6.061 4.728 -2.606 1.00 0.00 C ATOM 624 O GLU A 53 -7.077 4.551 -1.960 1.00 0.00 O ATOM 625 CB GLU A 53 -3.820 5.794 -2.153 1.00 0.00 C ATOM 626 CG GLU A 53 -4.025 6.726 -0.961 1.00 0.00 C ATOM 627 CD GLU A 53 -5.273 7.572 -1.190 1.00 0.00 C ATOM 628 OE1 GLU A 53 -5.323 8.259 -2.195 1.00 0.00 O ATOM 629 OE2 GLU A 53 -6.160 7.517 -0.356 1.00 0.00 O ATOM 0 H GLU A 53 -3.166 3.810 -3.295 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.842 4.305 -0.931 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.769 5.518 -2.234 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.087 6.306 -3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.129 6.145 -0.045 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.154 7.369 -0.834 1.00 0.00 H new ATOM 636 N ARG A 54 -6.109 5.069 -3.862 1.00 0.00 N ATOM 637 CA ARG A 54 -7.426 5.249 -4.526 1.00 0.00 C ATOM 638 C ARG A 54 -8.238 3.964 -4.388 1.00 0.00 C ATOM 639 O ARG A 54 -9.449 3.986 -4.283 1.00 0.00 O ATOM 640 CB ARG A 54 -7.100 5.525 -5.993 1.00 0.00 C ATOM 641 CG ARG A 54 -8.378 5.930 -6.728 1.00 0.00 C ATOM 642 CD ARG A 54 -8.334 5.402 -8.162 1.00 0.00 C ATOM 643 NE ARG A 54 -8.982 4.062 -8.098 1.00 0.00 N ATOM 644 CZ ARG A 54 -10.269 3.968 -7.902 1.00 0.00 C ATOM 645 NH1 ARG A 54 -11.078 4.821 -8.466 1.00 0.00 N ATOM 646 NH2 ARG A 54 -10.745 3.025 -7.136 1.00 0.00 N ATOM 0 H ARG A 54 -5.295 5.230 -4.455 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.012 6.057 -4.089 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.356 6.318 -6.069 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.667 4.637 -6.454 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.250 5.531 -6.209 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.479 7.015 -6.732 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.866 6.066 -8.844 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.309 5.328 -8.524 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.420 3.218 -8.207 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.705 5.561 -9.060 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.084 4.748 -8.313 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.111 2.361 -6.690 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.751 2.951 -6.983 1.00 0.00 H new ATOM 660 N ASP A 55 -7.574 2.840 -4.380 1.00 0.00 N ATOM 661 CA ASP A 55 -8.300 1.550 -4.242 1.00 0.00 C ATOM 662 C ASP A 55 -8.801 1.375 -2.805 1.00 0.00 C ATOM 663 O ASP A 55 -9.836 0.786 -2.572 1.00 0.00 O ATOM 664 CB ASP A 55 -7.262 0.479 -4.579 1.00 0.00 C ATOM 665 CG ASP A 55 -7.043 0.440 -6.091 1.00 0.00 C ATOM 666 OD1 ASP A 55 -7.745 1.152 -6.790 1.00 0.00 O ATOM 667 OD2 ASP A 55 -6.178 -0.302 -6.526 1.00 0.00 O ATOM 0 H ASP A 55 -6.560 2.762 -4.463 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.173 1.495 -4.892 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.323 0.695 -4.070 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.600 -0.495 -4.224 1.00 0.00 H new ATOM 672 N GLU A 56 -8.071 1.873 -1.840 1.00 0.00 N ATOM 673 CA GLU A 56 -8.511 1.717 -0.421 1.00 0.00 C ATOM 674 C GLU A 56 -9.581 2.747 -0.060 1.00 0.00 C ATOM 675 O GLU A 56 -10.370 2.530 0.836 1.00 0.00 O ATOM 676 CB GLU A 56 -7.256 1.909 0.426 1.00 0.00 C ATOM 677 CG GLU A 56 -7.093 0.718 1.370 1.00 0.00 C ATOM 678 CD GLU A 56 -7.701 1.059 2.732 1.00 0.00 C ATOM 679 OE1 GLU A 56 -7.837 2.238 3.018 1.00 0.00 O ATOM 680 OE2 GLU A 56 -8.021 0.137 3.464 1.00 0.00 O ATOM 0 H GLU A 56 -7.195 2.378 -1.972 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.962 0.739 -0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.381 2.000 -0.217 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.328 2.834 0.999 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.583 -0.161 0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.037 0.472 1.483 1.00 0.00 H new ATOM 687 N LEU A 57 -9.649 3.848 -0.758 1.00 0.00 N ATOM 688 CA LEU A 57 -10.722 4.832 -0.444 1.00 0.00 C ATOM 689 C LEU A 57 -11.957 4.383 -1.200 1.00 0.00 C ATOM 690 O LEU A 57 -13.008 4.126 -0.634 1.00 0.00 O ATOM 691 CB LEU A 57 -10.265 6.192 -0.973 1.00 0.00 C ATOM 692 CG LEU A 57 -8.785 6.425 -0.687 1.00 0.00 C ATOM 693 CD1 LEU A 57 -8.171 7.112 -1.903 1.00 0.00 C ATOM 694 CD2 LEU A 57 -8.643 7.327 0.541 1.00 0.00 C ATOM 0 H LEU A 57 -9.020 4.105 -1.519 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.929 4.900 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.444 6.246 -2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.856 6.982 -0.511 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.279 5.479 -0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.111 7.290 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.289 6.474 -2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.674 8.063 -2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.586 7.496 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.132 8.282 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.109 6.847 1.401 1.00 0.00 H new ATOM 706 N ALA A 58 -11.816 4.241 -2.487 1.00 0.00 N ATOM 707 CA ALA A 58 -12.955 3.761 -3.296 1.00 0.00 C ATOM 708 C ALA A 58 -13.491 2.504 -2.629 1.00 0.00 C ATOM 709 O ALA A 58 -14.686 2.335 -2.417 1.00 0.00 O ATOM 710 CB ALA A 58 -12.358 3.443 -4.667 1.00 0.00 C ATOM 0 H ALA A 58 -10.961 4.437 -3.008 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.772 4.477 -3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.143 3.079 -5.330 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.916 4.345 -5.089 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.589 2.678 -4.560 1.00 0.00 H new ATOM 716 N TRP A 59 -12.610 1.623 -2.254 1.00 0.00 N ATOM 717 CA TRP A 59 -13.081 0.412 -1.571 1.00 0.00 C ATOM 718 C TRP A 59 -13.611 0.801 -0.191 1.00 0.00 C ATOM 719 O TRP A 59 -14.577 0.257 0.282 1.00 0.00 O ATOM 720 CB TRP A 59 -11.883 -0.518 -1.428 1.00 0.00 C ATOM 721 CG TRP A 59 -12.261 -1.553 -0.433 1.00 0.00 C ATOM 722 CD1 TRP A 59 -12.968 -2.672 -0.706 1.00 0.00 C ATOM 723 CD2 TRP A 59 -12.029 -1.545 1.000 1.00 0.00 C ATOM 724 NE1 TRP A 59 -13.173 -3.365 0.471 1.00 0.00 N ATOM 725 CE2 TRP A 59 -12.604 -2.712 1.552 1.00 0.00 C ATOM 726 CE3 TRP A 59 -11.368 -0.647 1.865 1.00 0.00 C ATOM 727 CZ2 TRP A 59 -12.532 -2.982 2.917 1.00 0.00 C ATOM 728 CZ3 TRP A 59 -11.297 -0.918 3.238 1.00 0.00 C ATOM 729 CH2 TRP A 59 -11.876 -2.082 3.763 1.00 0.00 C ATOM 0 H TRP A 59 -11.602 1.695 -2.392 1.00 0.00 H new ATOM 0 HA TRP A 59 -13.878 -0.080 -2.128 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.632 -0.975 -2.385 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -11.003 0.033 -1.097 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -13.315 -2.974 -1.683 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.680 -4.248 0.536 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -10.916 0.250 1.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.979 -3.879 3.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.793 -0.226 3.896 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -11.815 -2.284 4.822 1.00 0.00 H new ATOM 740 N LYS A 60 -13.001 1.748 0.471 1.00 0.00 N ATOM 741 CA LYS A 60 -13.538 2.134 1.798 1.00 0.00 C ATOM 742 C LYS A 60 -15.032 2.348 1.614 1.00 0.00 C ATOM 743 O LYS A 60 -15.837 2.041 2.472 1.00 0.00 O ATOM 744 CB LYS A 60 -12.810 3.412 2.187 1.00 0.00 C ATOM 745 CG LYS A 60 -11.918 3.110 3.386 1.00 0.00 C ATOM 746 CD LYS A 60 -10.557 3.778 3.202 1.00 0.00 C ATOM 747 CE LYS A 60 -10.188 4.530 4.481 1.00 0.00 C ATOM 748 NZ LYS A 60 -9.839 5.906 4.028 1.00 0.00 N ATOM 0 H LYS A 60 -12.175 2.257 0.157 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.392 1.391 2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.212 3.778 1.352 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.526 4.196 2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.389 3.470 4.301 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.792 2.033 3.495 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.799 3.029 2.975 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.588 4.466 2.357 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.020 4.545 5.185 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.348 4.056 4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.143 6.595 4.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.810 5.977 3.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.320 6.108 3.128 1.00 0.00 H new ATOM 762 N LYS A 61 -15.403 2.791 0.441 1.00 0.00 N ATOM 763 CA LYS A 61 -16.844 2.933 0.131 1.00 0.00 C ATOM 764 C LYS A 61 -17.394 1.515 -0.021 1.00 0.00 C ATOM 765 O LYS A 61 -18.413 1.164 0.541 1.00 0.00 O ATOM 766 CB LYS A 61 -16.911 3.694 -1.194 1.00 0.00 C ATOM 767 CG LYS A 61 -17.650 5.016 -0.985 1.00 0.00 C ATOM 768 CD LYS A 61 -19.061 4.911 -1.567 1.00 0.00 C ATOM 769 CE LYS A 61 -19.022 5.221 -3.066 1.00 0.00 C ATOM 770 NZ LYS A 61 -19.167 6.701 -3.155 1.00 0.00 N ATOM 0 H LYS A 61 -14.767 3.058 -0.310 1.00 0.00 H new ATOM 0 HA LYS A 61 -17.417 3.462 0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -15.905 3.883 -1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.424 3.093 -1.945 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -17.700 5.252 0.078 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -17.106 5.829 -1.467 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -19.460 3.910 -1.403 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -19.728 5.607 -1.058 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -18.086 4.888 -3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -19.828 4.712 -3.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -19.150 6.992 -4.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -20.070 6.988 -2.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -18.383 7.158 -2.647 1.00 0.00 H new ATOM 784 N LEU A 62 -16.691 0.681 -0.754 1.00 0.00 N ATOM 785 CA LEU A 62 -17.140 -0.742 -0.912 1.00 0.00 C ATOM 786 C LEU A 62 -17.556 -1.306 0.451 1.00 0.00 C ATOM 787 O LEU A 62 -18.700 -1.625 0.688 1.00 0.00 O ATOM 788 CB LEU A 62 -15.912 -1.519 -1.414 1.00 0.00 C ATOM 789 CG LEU A 62 -15.971 -1.739 -2.926 1.00 0.00 C ATOM 790 CD1 LEU A 62 -16.829 -2.967 -3.222 1.00 0.00 C ATOM 791 CD2 LEU A 62 -16.559 -0.504 -3.612 1.00 0.00 C ATOM 0 H LEU A 62 -15.831 0.922 -1.247 1.00 0.00 H new ATOM 0 HA LEU A 62 -17.986 -0.819 -1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -15.004 -0.972 -1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -15.856 -2.482 -0.907 1.00 0.00 H new ATOM 0 HG LEU A 62 -14.964 -1.902 -3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.874 -3.128 -4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -16.390 -3.842 -2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -17.836 -2.809 -2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -16.597 -0.669 -4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -17.566 -0.324 -3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -15.933 0.363 -3.400 1.00 0.00 H new ATOM 803 N LYS A 63 -16.604 -1.442 1.337 1.00 0.00 N ATOM 804 CA LYS A 63 -16.866 -1.991 2.695 1.00 0.00 C ATOM 805 C LYS A 63 -17.882 -1.131 3.459 1.00 0.00 C ATOM 806 O LYS A 63 -18.961 -1.578 3.792 1.00 0.00 O ATOM 807 CB LYS A 63 -15.494 -1.920 3.365 1.00 0.00 C ATOM 808 CG LYS A 63 -15.320 -3.072 4.355 1.00 0.00 C ATOM 809 CD LYS A 63 -16.017 -2.728 5.672 1.00 0.00 C ATOM 810 CE LYS A 63 -14.978 -2.233 6.682 1.00 0.00 C ATOM 811 NZ LYS A 63 -15.746 -1.934 7.926 1.00 0.00 N ATOM 0 H LYS A 63 -15.631 -1.188 1.168 1.00 0.00 H new ATOM 0 HA LYS A 63 -17.290 -2.995 2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.711 -1.962 2.608 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.385 -0.968 3.884 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.739 -3.988 3.939 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.260 -3.257 4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.774 -1.961 5.506 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.532 -3.605 6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.215 -2.990 6.864 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.465 -1.345 6.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.096 -1.590 8.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.460 -1.205 7.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.218 -2.799 8.259 1.00 0.00 H new ATOM 825 N LEU A 64 -17.535 0.096 3.752 1.00 0.00 N ATOM 826 CA LEU A 64 -18.468 0.986 4.509 1.00 0.00 C ATOM 827 C LEU A 64 -19.914 0.784 4.048 1.00 0.00 C ATOM 828 O LEU A 64 -20.844 0.906 4.821 1.00 0.00 O ATOM 829 CB LEU A 64 -17.998 2.405 4.195 1.00 0.00 C ATOM 830 CG LEU A 64 -16.722 2.702 4.984 1.00 0.00 C ATOM 831 CD1 LEU A 64 -16.007 3.908 4.372 1.00 0.00 C ATOM 832 CD2 LEU A 64 -17.089 3.009 6.436 1.00 0.00 C ATOM 0 H LEU A 64 -16.643 0.522 3.499 1.00 0.00 H new ATOM 0 HA LEU A 64 -18.455 0.773 5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -17.811 2.510 3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -18.775 3.124 4.455 1.00 0.00 H new ATOM 0 HG LEU A 64 -16.061 1.836 4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.098 4.117 4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.749 3.690 3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.664 4.777 4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -16.183 3.222 7.003 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -17.749 3.876 6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -17.597 2.149 6.873 1.00 0.00 H new ATOM 844 N ASP A 65 -20.115 0.478 2.799 1.00 0.00 N ATOM 845 CA ASP A 65 -21.505 0.273 2.297 1.00 0.00 C ATOM 846 C ASP A 65 -21.966 -1.164 2.563 1.00 0.00 C ATOM 847 O ASP A 65 -23.094 -1.403 2.952 1.00 0.00 O ATOM 848 CB ASP A 65 -21.427 0.539 0.793 1.00 0.00 C ATOM 849 CG ASP A 65 -21.976 1.936 0.492 1.00 0.00 C ATOM 850 OD1 ASP A 65 -21.646 2.851 1.229 1.00 0.00 O ATOM 851 OD2 ASP A 65 -22.716 2.067 -0.468 1.00 0.00 O ATOM 0 H ASP A 65 -19.379 0.360 2.102 1.00 0.00 H new ATOM 0 HA ASP A 65 -22.220 0.930 2.793 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -20.395 0.461 0.452 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -21.999 -0.213 0.250 1.00 0.00 H new ATOM 856 N GLY A 66 -21.106 -2.121 2.358 1.00 0.00 N ATOM 857 CA GLY A 66 -21.492 -3.541 2.594 1.00 0.00 C ATOM 858 C GLY A 66 -21.230 -4.364 1.329 1.00 0.00 C ATOM 859 O GLY A 66 -22.066 -5.132 0.894 1.00 0.00 O ATOM 0 H GLY A 66 -20.148 -1.981 2.036 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -20.923 -3.949 3.429 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -22.546 -3.601 2.867 1.00 0.00 H new ATOM 863 N LEU A 67 -20.078 -4.210 0.733 1.00 0.00 N ATOM 864 CA LEU A 67 -19.770 -4.987 -0.504 1.00 0.00 C ATOM 865 C LEU A 67 -18.703 -6.043 -0.215 1.00 0.00 C ATOM 866 O LEU A 67 -18.810 -7.177 -0.633 1.00 0.00 O ATOM 867 CB LEU A 67 -19.247 -3.954 -1.502 1.00 0.00 C ATOM 868 CG LEU A 67 -20.427 -3.111 -2.004 1.00 0.00 C ATOM 869 CD1 LEU A 67 -20.025 -1.638 -2.092 1.00 0.00 C ATOM 870 CD2 LEU A 67 -20.847 -3.602 -3.390 1.00 0.00 C ATOM 0 H LEU A 67 -19.338 -3.582 1.048 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.643 -5.516 -0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -18.501 -3.315 -1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -18.756 -4.452 -2.338 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.258 -3.213 -1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -20.871 -1.051 -2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -19.727 -1.283 -1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -19.190 -1.529 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -21.685 -3.005 -3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -20.009 -3.503 -4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -21.146 -4.648 -3.330 1.00 0.00 H new ATOM 882 N ASP A 68 -17.676 -5.677 0.496 1.00 0.00 N ATOM 883 CA ASP A 68 -16.604 -6.659 0.811 1.00 0.00 C ATOM 884 C ASP A 68 -16.975 -7.455 2.064 1.00 0.00 C ATOM 885 O ASP A 68 -16.196 -7.578 2.989 1.00 0.00 O ATOM 886 CB ASP A 68 -15.358 -5.810 1.054 1.00 0.00 C ATOM 887 CG ASP A 68 -14.216 -6.701 1.541 1.00 0.00 C ATOM 888 OD1 ASP A 68 -13.831 -7.594 0.803 1.00 0.00 O ATOM 889 OD2 ASP A 68 -13.742 -6.476 2.642 1.00 0.00 O ATOM 0 H ASP A 68 -17.532 -4.740 0.873 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.450 -7.384 0.012 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.068 -5.300 0.135 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.571 -5.038 1.793 1.00 0.00 H new ATOM 894 N GLU A 69 -18.162 -7.992 2.102 1.00 0.00 N ATOM 895 CA GLU A 69 -18.594 -8.776 3.293 1.00 0.00 C ATOM 896 C GLU A 69 -17.704 -10.009 3.473 1.00 0.00 C ATOM 897 O GLU A 69 -17.757 -10.681 4.485 1.00 0.00 O ATOM 898 CB GLU A 69 -20.029 -9.200 2.984 1.00 0.00 C ATOM 899 CG GLU A 69 -20.901 -7.956 2.796 1.00 0.00 C ATOM 900 CD GLU A 69 -21.894 -7.848 3.955 1.00 0.00 C ATOM 901 OE1 GLU A 69 -21.607 -8.391 5.008 1.00 0.00 O ATOM 902 OE2 GLU A 69 -22.926 -7.223 3.769 1.00 0.00 O ATOM 0 H GLU A 69 -18.855 -7.922 1.357 1.00 0.00 H new ATOM 0 HA GLU A 69 -18.523 -8.197 4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.052 -9.813 2.083 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -20.421 -9.812 3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -20.276 -7.064 2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -21.437 -8.014 1.849 1.00 0.00 H new ATOM 909 N ASP A 70 -16.887 -10.314 2.502 1.00 0.00 N ATOM 910 CA ASP A 70 -16.000 -11.506 2.625 1.00 0.00 C ATOM 911 C ASP A 70 -14.566 -11.145 2.238 1.00 0.00 C ATOM 912 O ASP A 70 -13.828 -11.961 1.721 1.00 0.00 O ATOM 913 CB ASP A 70 -16.576 -12.531 1.646 1.00 0.00 C ATOM 914 CG ASP A 70 -17.711 -13.303 2.320 1.00 0.00 C ATOM 915 OD1 ASP A 70 -17.585 -13.592 3.499 1.00 0.00 O ATOM 916 OD2 ASP A 70 -18.685 -13.593 1.647 1.00 0.00 O ATOM 0 H ASP A 70 -16.795 -9.791 1.631 1.00 0.00 H new ATOM 0 HA ASP A 70 -15.965 -11.888 3.645 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.945 -12.028 0.753 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -15.795 -13.220 1.324 1.00 0.00 H new ATOM 921 N GLY A 71 -14.162 -9.930 2.482 1.00 0.00 N ATOM 922 CA GLY A 71 -12.775 -9.525 2.128 1.00 0.00 C ATOM 923 C GLY A 71 -12.511 -9.825 0.650 1.00 0.00 C ATOM 924 O GLY A 71 -11.391 -10.067 0.251 1.00 0.00 O ATOM 0 H GLY A 71 -14.732 -9.201 2.911 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -12.635 -8.462 2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.059 -10.061 2.751 1.00 0.00 H new ATOM 928 N GLU A 72 -13.533 -9.809 -0.167 1.00 0.00 N ATOM 929 CA GLU A 72 -13.331 -10.091 -1.619 1.00 0.00 C ATOM 930 C GLU A 72 -12.778 -8.848 -2.321 1.00 0.00 C ATOM 931 O GLU A 72 -11.741 -8.891 -2.951 1.00 0.00 O ATOM 932 CB GLU A 72 -14.717 -10.441 -2.158 1.00 0.00 C ATOM 933 CG GLU A 72 -14.577 -11.342 -3.386 1.00 0.00 C ATOM 934 CD GLU A 72 -15.855 -12.165 -3.563 1.00 0.00 C ATOM 935 OE1 GLU A 72 -16.689 -12.125 -2.674 1.00 0.00 O ATOM 936 OE2 GLU A 72 -15.978 -12.820 -4.585 1.00 0.00 O ATOM 0 H GLU A 72 -14.496 -9.613 0.108 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.618 -10.898 -1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.301 -10.946 -1.388 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.256 -9.531 -2.421 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.395 -10.738 -4.275 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.719 -12.004 -3.269 1.00 0.00 H new ATOM 943 N LYS A 73 -13.449 -7.736 -2.207 1.00 0.00 N ATOM 944 CA LYS A 73 -12.931 -6.501 -2.856 1.00 0.00 C ATOM 945 C LYS A 73 -11.716 -6.022 -2.070 1.00 0.00 C ATOM 946 O LYS A 73 -10.684 -5.701 -2.627 1.00 0.00 O ATOM 947 CB LYS A 73 -14.073 -5.487 -2.777 1.00 0.00 C ATOM 948 CG LYS A 73 -15.366 -6.131 -3.284 1.00 0.00 C ATOM 949 CD LYS A 73 -15.724 -5.547 -4.652 1.00 0.00 C ATOM 950 CE LYS A 73 -15.762 -6.668 -5.694 1.00 0.00 C ATOM 951 NZ LYS A 73 -16.118 -5.992 -6.972 1.00 0.00 N ATOM 0 H LYS A 73 -14.326 -7.629 -1.697 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.624 -6.653 -3.891 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.202 -5.148 -1.749 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.834 -4.607 -3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.242 -7.211 -3.359 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.176 -5.952 -2.577 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.692 -5.048 -4.604 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.991 -4.793 -4.940 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.798 -7.171 -5.768 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.498 -7.427 -5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.164 -6.696 -7.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.043 -5.528 -6.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.396 -5.279 -7.201 1.00 0.00 H new ATOM 965 N GLU A 74 -11.826 -6.005 -0.772 1.00 0.00 N ATOM 966 CA GLU A 74 -10.674 -5.586 0.065 1.00 0.00 C ATOM 967 C GLU A 74 -9.509 -6.548 -0.181 1.00 0.00 C ATOM 968 O GLU A 74 -8.367 -6.236 0.081 1.00 0.00 O ATOM 969 CB GLU A 74 -11.172 -5.694 1.509 1.00 0.00 C ATOM 970 CG GLU A 74 -10.009 -5.474 2.477 1.00 0.00 C ATOM 971 CD GLU A 74 -10.184 -6.380 3.698 1.00 0.00 C ATOM 972 OE1 GLU A 74 -10.516 -7.538 3.509 1.00 0.00 O ATOM 973 OE2 GLU A 74 -9.983 -5.898 4.801 1.00 0.00 O ATOM 0 H GLU A 74 -12.667 -6.264 -0.256 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.325 -4.578 -0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.952 -4.955 1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.617 -6.675 1.677 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.063 -5.692 1.981 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.973 -4.430 2.788 1.00 0.00 H new ATOM 980 N ALA A 75 -9.795 -7.719 -0.697 1.00 0.00 N ATOM 981 CA ALA A 75 -8.704 -8.696 -0.972 1.00 0.00 C ATOM 982 C ALA A 75 -7.707 -8.083 -1.953 1.00 0.00 C ATOM 983 O ALA A 75 -6.513 -8.264 -1.833 1.00 0.00 O ATOM 984 CB ALA A 75 -9.394 -9.910 -1.596 1.00 0.00 C ATOM 0 H ALA A 75 -10.734 -8.036 -0.938 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.153 -8.970 -0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.650 -10.673 -1.826 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.124 -10.314 -0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.900 -9.609 -2.513 1.00 0.00 H new ATOM 990 N ARG A 76 -8.186 -7.345 -2.918 1.00 0.00 N ATOM 991 CA ARG A 76 -7.254 -6.709 -3.893 1.00 0.00 C ATOM 992 C ARG A 76 -6.355 -5.716 -3.154 1.00 0.00 C ATOM 993 O ARG A 76 -5.201 -5.530 -3.491 1.00 0.00 O ATOM 994 CB ARG A 76 -8.153 -5.984 -4.895 1.00 0.00 C ATOM 995 CG ARG A 76 -7.403 -5.795 -6.217 1.00 0.00 C ATOM 996 CD ARG A 76 -7.860 -4.495 -6.883 1.00 0.00 C ATOM 997 NE ARG A 76 -8.588 -4.925 -8.110 1.00 0.00 N ATOM 998 CZ ARG A 76 -7.952 -5.021 -9.247 1.00 0.00 C ATOM 999 NH1 ARG A 76 -7.832 -3.974 -10.018 1.00 0.00 N ATOM 1000 NH2 ARG A 76 -7.435 -6.163 -9.610 1.00 0.00 N ATOM 0 H ARG A 76 -9.176 -7.156 -3.073 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.607 -7.430 -4.392 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -9.065 -6.557 -5.062 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.454 -5.016 -4.495 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.328 -5.765 -6.036 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.592 -6.641 -6.878 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.507 -3.919 -6.222 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.010 -3.859 -7.131 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.583 -5.144 -8.062 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.235 -3.081 -9.732 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.335 -4.049 -10.906 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.528 -6.980 -9.006 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.938 -6.239 -10.498 1.00 0.00 H new ATOM 1014 N LEU A 77 -6.879 -5.085 -2.139 1.00 0.00 N ATOM 1015 CA LEU A 77 -6.064 -4.108 -1.365 1.00 0.00 C ATOM 1016 C LEU A 77 -4.994 -4.844 -0.563 1.00 0.00 C ATOM 1017 O LEU A 77 -3.852 -4.439 -0.511 1.00 0.00 O ATOM 1018 CB LEU A 77 -7.059 -3.426 -0.426 1.00 0.00 C ATOM 1019 CG LEU A 77 -7.863 -2.396 -1.210 1.00 0.00 C ATOM 1020 CD1 LEU A 77 -9.209 -2.154 -0.521 1.00 0.00 C ATOM 1021 CD2 LEU A 77 -7.081 -1.092 -1.271 1.00 0.00 C ATOM 0 H LEU A 77 -7.838 -5.205 -1.812 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.550 -3.392 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.726 -4.166 0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.530 -2.943 0.396 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.041 -2.766 -2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.780 -1.417 -1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.768 -3.089 -0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.039 -1.784 0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.652 -0.351 -1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.905 -0.726 -0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.125 -1.264 -1.766 1.00 0.00 H new ATOM 1033 N ILE A 78 -5.362 -5.925 0.061 1.00 0.00 N ATOM 1034 CA ILE A 78 -4.377 -6.705 0.865 1.00 0.00 C ATOM 1035 C ILE A 78 -3.282 -7.271 -0.045 1.00 0.00 C ATOM 1036 O ILE A 78 -2.120 -7.300 0.308 1.00 0.00 O ATOM 1037 CB ILE A 78 -5.194 -7.835 1.493 1.00 0.00 C ATOM 1038 CG1 ILE A 78 -6.182 -7.246 2.503 1.00 0.00 C ATOM 1039 CG2 ILE A 78 -4.259 -8.810 2.209 1.00 0.00 C ATOM 1040 CD1 ILE A 78 -7.332 -8.230 2.727 1.00 0.00 C ATOM 0 H ILE A 78 -6.308 -6.306 0.050 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.877 -6.095 1.617 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.739 -8.364 0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.675 -7.042 3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.569 -6.295 2.137 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.844 -9.614 2.655 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.553 -9.230 1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.712 -8.282 2.990 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.035 -7.810 3.446 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.844 -8.412 1.782 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.937 -9.170 3.112 1.00 0.00 H new ATOM 1052 N ARG A 79 -3.645 -7.715 -1.218 1.00 0.00 N ATOM 1053 CA ARG A 79 -2.627 -8.273 -2.152 1.00 0.00 C ATOM 1054 C ARG A 79 -1.737 -7.149 -2.684 1.00 0.00 C ATOM 1055 O ARG A 79 -0.547 -7.316 -2.840 1.00 0.00 O ATOM 1056 CB ARG A 79 -3.428 -8.911 -3.287 1.00 0.00 C ATOM 1057 CG ARG A 79 -3.215 -10.426 -3.278 1.00 0.00 C ATOM 1058 CD ARG A 79 -2.830 -10.897 -4.683 1.00 0.00 C ATOM 1059 NE ARG A 79 -1.781 -11.932 -4.468 1.00 0.00 N ATOM 1060 CZ ARG A 79 -2.096 -13.197 -4.509 1.00 0.00 C ATOM 1061 NH1 ARG A 79 -2.513 -13.729 -5.626 1.00 0.00 N ATOM 1062 NH2 ARG A 79 -1.992 -13.931 -3.435 1.00 0.00 N ATOM 0 H ARG A 79 -4.603 -7.715 -1.569 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.973 -8.997 -1.667 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.487 -8.682 -3.171 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.115 -8.495 -4.245 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.432 -10.689 -2.567 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.125 -10.930 -2.951 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -3.690 -11.310 -5.210 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.452 -10.072 -5.286 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.817 -11.652 -4.289 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.592 -13.155 -6.466 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.760 -14.718 -5.659 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.664 -13.515 -2.563 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.238 -14.920 -3.468 1.00 0.00 H new ATOM 1076 N ASN A 80 -2.298 -6.000 -2.954 1.00 0.00 N ATOM 1077 CA ASN A 80 -1.461 -4.872 -3.456 1.00 0.00 C ATOM 1078 C ASN A 80 -0.458 -4.471 -2.375 1.00 0.00 C ATOM 1079 O ASN A 80 0.719 -4.307 -2.628 1.00 0.00 O ATOM 1080 CB ASN A 80 -2.440 -3.727 -3.714 1.00 0.00 C ATOM 1081 CG ASN A 80 -2.852 -3.718 -5.186 1.00 0.00 C ATOM 1082 OD1 ASN A 80 -2.841 -4.743 -5.841 1.00 0.00 O ATOM 1083 ND2 ASN A 80 -3.218 -2.594 -5.736 1.00 0.00 N ATOM 0 H ASN A 80 -3.292 -5.795 -2.850 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.901 -5.134 -4.354 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.320 -3.840 -3.081 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.978 -2.775 -3.451 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.496 -2.573 -6.717 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.227 -1.736 -5.185 1.00 0.00 H new ATOM 1090 N LEU A 81 -0.923 -4.319 -1.164 1.00 0.00 N ATOM 1091 CA LEU A 81 -0.010 -3.939 -0.055 1.00 0.00 C ATOM 1092 C LEU A 81 1.064 -5.009 0.109 1.00 0.00 C ATOM 1093 O LEU A 81 2.219 -4.715 0.250 1.00 0.00 O ATOM 1094 CB LEU A 81 -0.895 -3.862 1.187 1.00 0.00 C ATOM 1095 CG LEU A 81 -0.574 -2.580 1.954 1.00 0.00 C ATOM 1096 CD1 LEU A 81 0.933 -2.503 2.204 1.00 0.00 C ATOM 1097 CD2 LEU A 81 -1.012 -1.370 1.125 1.00 0.00 C ATOM 0 H LEU A 81 -1.900 -4.443 -0.897 1.00 0.00 H new ATOM 0 HA LEU A 81 0.501 -2.993 -0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.947 -3.875 0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.727 -4.732 1.822 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.103 -2.582 2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.165 -1.589 2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.249 -3.366 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.460 -2.498 1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.784 -0.454 1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.479 -1.369 0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.085 -1.425 0.940 1.00 0.00 H new ATOM 1109 N ASN A 82 0.686 -6.252 0.082 1.00 0.00 N ATOM 1110 CA ASN A 82 1.691 -7.342 0.220 1.00 0.00 C ATOM 1111 C ASN A 82 2.658 -7.303 -0.968 1.00 0.00 C ATOM 1112 O ASN A 82 3.825 -7.626 -0.849 1.00 0.00 O ATOM 1113 CB ASN A 82 0.864 -8.628 0.203 1.00 0.00 C ATOM 1114 CG ASN A 82 0.625 -9.110 1.635 1.00 0.00 C ATOM 1115 OD1 ASN A 82 1.449 -8.905 2.504 1.00 0.00 O ATOM 1116 ND2 ASN A 82 -0.478 -9.749 1.918 1.00 0.00 N ATOM 0 H ASN A 82 -0.279 -6.564 -0.030 1.00 0.00 H new ATOM 0 HA ASN A 82 2.293 -7.256 1.125 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.089 -8.451 -0.295 1.00 0.00 H new ATOM 0 HB3 ASN A 82 1.384 -9.398 -0.368 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.648 -10.076 2.869 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.169 -9.921 1.188 1.00 0.00 H new ATOM 1123 N VAL A 83 2.177 -6.896 -2.110 1.00 0.00 N ATOM 1124 CA VAL A 83 3.051 -6.818 -3.314 1.00 0.00 C ATOM 1125 C VAL A 83 4.127 -5.755 -3.089 1.00 0.00 C ATOM 1126 O VAL A 83 5.304 -5.989 -3.277 1.00 0.00 O ATOM 1127 CB VAL A 83 2.100 -6.417 -4.447 1.00 0.00 C ATOM 1128 CG1 VAL A 83 2.874 -5.713 -5.563 1.00 0.00 C ATOM 1129 CG2 VAL A 83 1.426 -7.669 -5.011 1.00 0.00 C ATOM 0 H VAL A 83 1.209 -6.612 -2.262 1.00 0.00 H new ATOM 0 HA VAL A 83 3.570 -7.750 -3.537 1.00 0.00 H new ATOM 0 HB VAL A 83 1.346 -5.736 -4.052 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.187 -5.433 -6.362 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.352 -4.818 -5.165 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.635 -6.386 -5.958 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.749 -7.386 -5.817 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.186 -8.349 -5.397 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.862 -8.166 -4.221 1.00 0.00 H new ATOM 1139 N ILE A 84 3.724 -4.592 -2.664 1.00 0.00 N ATOM 1140 CA ILE A 84 4.705 -3.508 -2.395 1.00 0.00 C ATOM 1141 C ILE A 84 5.606 -3.938 -1.241 1.00 0.00 C ATOM 1142 O ILE A 84 6.810 -3.958 -1.347 1.00 0.00 O ATOM 1143 CB ILE A 84 3.839 -2.308 -2.005 1.00 0.00 C ATOM 1144 CG1 ILE A 84 3.075 -1.818 -3.237 1.00 0.00 C ATOM 1145 CG2 ILE A 84 4.718 -1.178 -1.464 1.00 0.00 C ATOM 1146 CD1 ILE A 84 1.766 -1.153 -2.802 1.00 0.00 C ATOM 0 H ILE A 84 2.750 -4.345 -2.490 1.00 0.00 H new ATOM 0 HA ILE A 84 5.352 -3.277 -3.241 1.00 0.00 H new ATOM 0 HB ILE A 84 3.135 -2.609 -1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.685 -1.110 -3.797 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.865 -2.655 -3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.092 -0.329 -1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.260 -1.528 -0.586 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.429 -0.871 -2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.225 -0.805 -3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.154 -1.874 -2.261 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.987 -0.305 -2.153 1.00 0.00 H new ATOM 1158 N LEU A 85 5.013 -4.308 -0.146 1.00 0.00 N ATOM 1159 CA LEU A 85 5.800 -4.768 1.025 1.00 0.00 C ATOM 1160 C LEU A 85 6.656 -5.965 0.621 1.00 0.00 C ATOM 1161 O LEU A 85 7.649 -6.275 1.247 1.00 0.00 O ATOM 1162 CB LEU A 85 4.740 -5.166 2.050 1.00 0.00 C ATOM 1163 CG LEU A 85 3.938 -3.926 2.429 1.00 0.00 C ATOM 1164 CD1 LEU A 85 2.994 -4.256 3.585 1.00 0.00 C ATOM 1165 CD2 LEU A 85 4.899 -2.812 2.843 1.00 0.00 C ATOM 0 H LEU A 85 4.002 -4.311 -0.011 1.00 0.00 H new ATOM 0 HA LEU A 85 6.481 -4.013 1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.082 -5.930 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.211 -5.596 2.934 1.00 0.00 H new ATOM 0 HG LEU A 85 3.348 -3.596 1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.423 -3.367 3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.311 -5.049 3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.575 -4.587 4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.330 -1.923 3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.490 -3.140 3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.564 -2.577 2.012 1.00 0.00 H new ATOM 1177 N ALA A 86 6.281 -6.629 -0.436 1.00 0.00 N ATOM 1178 CA ALA A 86 7.082 -7.795 -0.904 1.00 0.00 C ATOM 1179 C ALA A 86 8.220 -7.295 -1.798 1.00 0.00 C ATOM 1180 O ALA A 86 9.275 -7.892 -1.881 1.00 0.00 O ATOM 1181 CB ALA A 86 6.106 -8.654 -1.708 1.00 0.00 C ATOM 0 H ALA A 86 5.456 -6.416 -0.996 1.00 0.00 H new ATOM 0 HA ALA A 86 7.528 -8.359 -0.084 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.624 -9.535 -2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.282 -8.966 -1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.715 -8.075 -2.545 1.00 0.00 H new ATOM 1187 N LYS A 87 8.002 -6.194 -2.465 1.00 0.00 N ATOM 1188 CA LYS A 87 9.051 -5.624 -3.360 1.00 0.00 C ATOM 1189 C LYS A 87 9.965 -4.686 -2.577 1.00 0.00 C ATOM 1190 O LYS A 87 11.016 -4.298 -3.043 1.00 0.00 O ATOM 1191 CB LYS A 87 8.279 -4.816 -4.397 1.00 0.00 C ATOM 1192 CG LYS A 87 9.239 -4.353 -5.491 1.00 0.00 C ATOM 1193 CD LYS A 87 8.472 -3.563 -6.551 1.00 0.00 C ATOM 1194 CE LYS A 87 8.609 -4.259 -7.907 1.00 0.00 C ATOM 1195 NZ LYS A 87 7.214 -4.409 -8.406 1.00 0.00 N ATOM 0 H LYS A 87 7.134 -5.660 -2.428 1.00 0.00 H new ATOM 0 HA LYS A 87 9.674 -6.402 -3.801 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.483 -5.422 -4.828 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.804 -3.956 -3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.025 -3.733 -5.060 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.727 -5.214 -5.948 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.421 -3.488 -6.274 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.859 -2.546 -6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.213 -3.667 -8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.098 -5.228 -7.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.226 -4.879 -9.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.665 -4.982 -7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.776 -3.470 -8.499 1.00 0.00 H new ATOM 1209 N TYR A 88 9.563 -4.304 -1.402 1.00 0.00 N ATOM 1210 CA TYR A 88 10.396 -3.371 -0.595 1.00 0.00 C ATOM 1211 C TYR A 88 10.511 -3.877 0.840 1.00 0.00 C ATOM 1212 O TYR A 88 11.140 -3.258 1.676 1.00 0.00 O ATOM 1213 CB TYR A 88 9.639 -2.039 -0.618 1.00 0.00 C ATOM 1214 CG TYR A 88 9.134 -1.751 -2.007 1.00 0.00 C ATOM 1215 CD1 TYR A 88 10.048 -1.485 -3.022 1.00 0.00 C ATOM 1216 CD2 TYR A 88 7.761 -1.748 -2.278 1.00 0.00 C ATOM 1217 CE1 TYR A 88 9.601 -1.217 -4.319 1.00 0.00 C ATOM 1218 CE2 TYR A 88 7.305 -1.480 -3.577 1.00 0.00 C ATOM 1219 CZ TYR A 88 8.228 -1.216 -4.599 1.00 0.00 C ATOM 1220 OH TYR A 88 7.784 -0.948 -5.879 1.00 0.00 O ATOM 0 H TYR A 88 8.691 -4.597 -0.962 1.00 0.00 H new ATOM 0 HA TYR A 88 11.407 -3.279 -0.991 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.803 -2.076 0.080 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.295 -1.234 -0.288 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.106 -1.486 -2.807 1.00 0.00 H new ATOM 0 HD2 TYR A 88 7.053 -1.952 -1.488 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.313 -1.011 -5.104 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.246 -1.477 -3.789 1.00 0.00 H new ATOM 0 HH TYR A 88 8.512 -0.551 -6.401 1.00 0.00 H new ATOM 1230 N GLY A 89 9.899 -4.989 1.139 1.00 0.00 N ATOM 1231 CA GLY A 89 9.966 -5.516 2.528 1.00 0.00 C ATOM 1232 C GLY A 89 9.712 -4.363 3.499 1.00 0.00 C ATOM 1233 O GLY A 89 10.287 -4.298 4.568 1.00 0.00 O ATOM 0 H GLY A 89 9.358 -5.553 0.484 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.224 -6.302 2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.943 -5.962 2.717 1.00 0.00 H new ATOM 1237 N LEU A 90 8.857 -3.447 3.128 1.00 0.00 N ATOM 1238 CA LEU A 90 8.568 -2.293 4.018 1.00 0.00 C ATOM 1239 C LEU A 90 7.735 -2.744 5.221 1.00 0.00 C ATOM 1240 O LEU A 90 7.599 -2.033 6.196 1.00 0.00 O ATOM 1241 CB LEU A 90 7.772 -1.329 3.142 1.00 0.00 C ATOM 1242 CG LEU A 90 8.704 -0.657 2.133 1.00 0.00 C ATOM 1243 CD1 LEU A 90 7.870 0.021 1.044 1.00 0.00 C ATOM 1244 CD2 LEU A 90 9.556 0.383 2.854 1.00 0.00 C ATOM 0 H LEU A 90 8.347 -3.451 2.245 1.00 0.00 H new ATOM 0 HA LEU A 90 9.472 -1.836 4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.981 -1.867 2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.288 -0.575 3.762 1.00 0.00 H new ATOM 0 HG LEU A 90 9.353 -1.403 1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.533 0.501 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.260 -0.725 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.222 0.772 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.223 0.866 2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.908 1.132 3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.147 -0.105 3.629 1.00 0.00 H new