USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 464 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 28 TYR OH : rot 180:sc= -0.0058 USER MOD Set 1.2: A 45 HIS : no HD1:sc= -2.01! C(o=-7!,f=-6.8!) USER MOD Set 1.3: A 48 HIS : no HE2:sc= -3.09! C(o=-7!,f=-9!) USER MOD Set 1.4: A 58 HIS : no HD1:sc= -1.94 K(o=-7,f=-8.8!) USER MOD Set 2.1: A 16 GLN : amide:sc= 0 X(o=-0.84,f=-0.94) USER MOD Set 2.2: A 41 TYR OH : rot 180:sc= -0.837 USER MOD Single : A 6 ASN : amide:sc= -0.388 X(o=-0.39,f=-0.7) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0144 X(o=-0.014,f=-0.01) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -6.32! C(o=-6.3!,f=-12!) USER MOD Single : A 40 HIS : no HE2:sc= -2.2 K(o=-2.2,f=-5.1!) USER MOD Single : A 44 LYS NZ :NH3+ -106:sc= -0.916! (180deg=-2.05!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -94:sc= -0.0339 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 3:sc= 0.198 USER MOD Single : A 74 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.62) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 4 0.626 8.222 -12.470 1.00 0.00 N ATOM 2 CA PHE A 4 1.707 7.200 -12.351 1.00 0.00 C ATOM 3 C PHE A 4 2.166 7.036 -10.907 1.00 0.00 C ATOM 4 O PHE A 4 3.363 6.989 -10.623 1.00 0.00 O ATOM 5 CB PHE A 4 2.883 7.621 -13.237 1.00 0.00 C ATOM 6 CG PHE A 4 3.963 6.582 -13.345 1.00 0.00 C ATOM 7 CD1 PHE A 4 3.647 5.234 -13.391 1.00 0.00 C ATOM 8 CD2 PHE A 4 5.296 6.956 -13.403 1.00 0.00 C ATOM 9 CE1 PHE A 4 4.640 4.279 -13.493 1.00 0.00 C ATOM 10 CE2 PHE A 4 6.294 6.005 -13.504 1.00 0.00 C ATOM 11 CZ PHE A 4 5.965 4.664 -13.549 1.00 0.00 C ATOM 0 HA PHE A 4 1.317 6.236 -12.678 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.510 7.849 -14.235 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.314 8.540 -12.840 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.613 4.926 -13.347 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.558 8.003 -13.369 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.380 3.231 -13.529 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.329 6.310 -13.548 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.742 3.918 -13.628 1.00 0.00 H new ATOM 21 N VAL A 5 1.201 6.937 -10.001 1.00 0.00 N ATOM 22 CA VAL A 5 1.488 6.761 -8.585 1.00 0.00 C ATOM 23 C VAL A 5 0.309 6.104 -7.880 1.00 0.00 C ATOM 24 O VAL A 5 0.475 5.144 -7.130 1.00 0.00 O ATOM 25 CB VAL A 5 1.794 8.097 -7.885 1.00 0.00 C ATOM 26 CG1 VAL A 5 3.176 8.600 -8.263 1.00 0.00 C ATOM 27 CG2 VAL A 5 0.730 9.131 -8.214 1.00 0.00 C ATOM 0 H VAL A 5 0.207 6.976 -10.225 1.00 0.00 H new ATOM 0 HA VAL A 5 2.370 6.124 -8.522 1.00 0.00 H new ATOM 0 HB VAL A 5 1.781 7.929 -6.808 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.370 9.545 -7.756 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.925 7.867 -7.963 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.226 8.749 -9.342 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.965 10.068 -7.709 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.703 9.296 -9.291 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.243 8.772 -7.878 1.00 0.00 H new ATOM 31 N ASN A 6 -0.884 6.640 -8.142 1.00 0.00 N ATOM 32 CA ASN A 6 -2.127 6.137 -7.555 1.00 0.00 C ATOM 33 C ASN A 6 -1.903 5.563 -6.145 1.00 0.00 C ATOM 34 O ASN A 6 -1.245 6.193 -5.319 1.00 0.00 O ATOM 35 CB ASN A 6 -2.756 5.098 -8.485 1.00 0.00 C ATOM 36 CG ASN A 6 -4.260 5.008 -8.325 1.00 0.00 C ATOM 37 OD1 ASN A 6 -4.955 6.024 -8.299 1.00 0.00 O ATOM 38 ND2 ASN A 6 -4.773 3.788 -8.215 1.00 0.00 N ATOM 0 H ASN A 6 -1.016 7.435 -8.767 1.00 0.00 H new ATOM 0 HA ASN A 6 -2.816 6.974 -7.446 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.519 5.350 -9.519 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.314 4.122 -8.285 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -5.780 3.666 -8.104 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.160 2.973 -8.242 1.00 0.00 H new ATOM 43 N GLU A 7 -2.455 4.380 -5.866 1.00 0.00 N ATOM 44 CA GLU A 7 -2.305 3.766 -4.552 1.00 0.00 C ATOM 45 C GLU A 7 -2.089 2.259 -4.661 1.00 0.00 C ATOM 46 O GLU A 7 -2.340 1.656 -5.705 1.00 0.00 O ATOM 47 CB GLU A 7 -3.545 4.051 -3.699 1.00 0.00 C ATOM 48 CG GLU A 7 -4.855 3.978 -4.472 1.00 0.00 C ATOM 49 CD GLU A 7 -5.899 4.940 -3.941 1.00 0.00 C ATOM 50 OE1 GLU A 7 -5.590 6.143 -3.815 1.00 0.00 O ATOM 51 OE2 GLU A 7 -7.028 4.490 -3.652 1.00 0.00 O ATOM 0 H GLU A 7 -3.005 3.834 -6.529 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.425 4.200 -4.077 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.580 3.337 -2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.450 5.043 -3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.665 4.197 -5.523 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.245 2.961 -4.424 1.00 0.00 H new ATOM 58 N TRP A 8 -1.628 1.657 -3.567 1.00 0.00 N ATOM 59 CA TRP A 8 -1.387 0.220 -3.524 1.00 0.00 C ATOM 60 C TRP A 8 -2.635 -0.510 -3.039 1.00 0.00 C ATOM 61 O TRP A 8 -3.226 -0.125 -2.037 1.00 0.00 O ATOM 62 CB TRP A 8 -0.206 -0.099 -2.601 1.00 0.00 C ATOM 63 CG TRP A 8 -0.088 -1.557 -2.275 1.00 0.00 C ATOM 64 CD1 TRP A 8 0.386 -2.542 -3.090 1.00 0.00 C ATOM 65 CD2 TRP A 8 -0.460 -2.196 -1.048 1.00 0.00 C ATOM 66 NE1 TRP A 8 0.326 -3.754 -2.449 1.00 0.00 N ATOM 67 CE2 TRP A 8 -0.185 -3.569 -1.192 1.00 0.00 C ATOM 68 CE3 TRP A 8 -0.995 -1.739 0.157 1.00 0.00 C ATOM 69 CZ2 TRP A 8 -0.432 -4.489 -0.173 1.00 0.00 C ATOM 70 CZ3 TRP A 8 -1.237 -2.653 1.166 1.00 0.00 C ATOM 71 CH2 TRP A 8 -0.956 -4.013 0.995 1.00 0.00 C ATOM 0 H TRP A 8 -1.414 2.145 -2.697 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.146 -0.118 -4.532 1.00 0.00 H new ATOM 0 HB2 TRP A 8 0.717 0.237 -3.074 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.314 0.466 -1.675 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.755 -2.390 -4.094 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.615 -4.648 -2.845 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.216 -0.691 0.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.217 -5.539 -0.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.650 -2.311 2.103 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.158 -4.700 1.803 1.00 0.00 H new ATOM 82 N ALA A 9 -3.022 -1.565 -3.750 1.00 0.00 N ATOM 83 CA ALA A 9 -4.198 -2.349 -3.377 1.00 0.00 C ATOM 84 C ALA A 9 -3.847 -3.829 -3.266 1.00 0.00 C ATOM 85 O ALA A 9 -3.190 -4.389 -4.148 1.00 0.00 O ATOM 86 CB ALA A 9 -5.315 -2.147 -4.388 1.00 0.00 C ATOM 0 H ALA A 9 -2.541 -1.897 -4.586 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.543 -2.003 -2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.183 -2.738 -4.095 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.589 -1.093 -4.422 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.976 -2.465 -5.374 1.00 0.00 H new ATOM 92 N ALA A 10 -4.271 -4.459 -2.175 1.00 0.00 N ATOM 93 CA ALA A 10 -3.980 -5.869 -1.961 1.00 0.00 C ATOM 94 C ALA A 10 -5.033 -6.558 -1.097 1.00 0.00 C ATOM 95 O ALA A 10 -5.850 -5.905 -0.452 1.00 0.00 O ATOM 96 CB ALA A 10 -2.614 -6.013 -1.320 1.00 0.00 C ATOM 0 H ALA A 10 -4.813 -4.018 -1.432 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.993 -6.358 -2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.397 -7.069 -1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.857 -5.582 -1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.604 -5.492 -0.363 1.00 0.00 H new ATOM 102 N GLU A 11 -4.972 -7.890 -1.068 1.00 0.00 N ATOM 103 CA GLU A 11 -5.879 -8.699 -0.257 1.00 0.00 C ATOM 104 C GLU A 11 -5.084 -9.379 0.850 1.00 0.00 C ATOM 105 O GLU A 11 -4.207 -10.203 0.578 1.00 0.00 O ATOM 106 CB GLU A 11 -6.587 -9.752 -1.108 1.00 0.00 C ATOM 107 CG GLU A 11 -7.608 -9.169 -2.072 1.00 0.00 C ATOM 108 CD GLU A 11 -8.409 -10.238 -2.789 1.00 0.00 C ATOM 109 OE1 GLU A 11 -9.125 -11.001 -2.107 1.00 0.00 O ATOM 110 OE2 GLU A 11 -8.320 -10.313 -4.033 1.00 0.00 O ATOM 0 H GLU A 11 -4.296 -8.435 -1.603 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.639 -8.048 0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.842 -10.310 -1.675 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.086 -10.464 -0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.288 -8.517 -1.524 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.095 -8.550 -2.808 1.00 0.00 H new ATOM 117 N ILE A 12 -5.374 -9.013 2.091 1.00 0.00 N ATOM 118 CA ILE A 12 -4.667 -9.572 3.236 1.00 0.00 C ATOM 119 C ILE A 12 -5.650 -10.135 4.279 1.00 0.00 C ATOM 120 O ILE A 12 -6.489 -9.410 4.810 1.00 0.00 O ATOM 121 CB ILE A 12 -3.729 -8.514 3.882 1.00 0.00 C ATOM 122 CG1 ILE A 12 -3.587 -8.752 5.390 1.00 0.00 C ATOM 123 CG2 ILE A 12 -4.206 -7.095 3.595 1.00 0.00 C ATOM 124 CD1 ILE A 12 -4.631 -8.037 6.230 1.00 0.00 C ATOM 0 H ILE A 12 -6.094 -8.331 2.331 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.053 -10.397 2.874 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.744 -8.628 3.428 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.649 -9.822 5.586 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.596 -8.427 5.707 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.527 -6.381 4.062 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.224 -6.928 2.518 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.209 -6.959 4.000 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.462 -8.256 7.284 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.556 -6.962 6.066 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.625 -8.379 5.943 1.00 0.00 H new ATOM 128 N PRO A 13 -5.570 -11.449 4.564 1.00 0.00 N ATOM 129 CA PRO A 13 -6.463 -12.124 5.521 1.00 0.00 C ATOM 130 C PRO A 13 -6.270 -11.717 6.986 1.00 0.00 C ATOM 131 O PRO A 13 -7.251 -11.529 7.706 1.00 0.00 O ATOM 132 CB PRO A 13 -6.119 -13.612 5.354 1.00 0.00 C ATOM 133 CG PRO A 13 -5.351 -13.703 4.081 1.00 0.00 C ATOM 134 CD PRO A 13 -4.631 -12.397 3.949 1.00 0.00 C ATOM 0 HA PRO A 13 -7.498 -11.859 5.307 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.529 -13.975 6.195 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.022 -14.221 5.312 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.649 -14.536 4.106 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -6.016 -13.871 3.234 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.671 -12.409 4.465 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.429 -12.149 2.907 1.00 0.00 H new ATOM 142 N GLY A 14 -5.020 -11.624 7.451 1.00 0.00 N ATOM 143 CA GLY A 14 -4.792 -11.293 8.853 1.00 0.00 C ATOM 144 C GLY A 14 -3.752 -10.214 9.102 1.00 0.00 C ATOM 145 O GLY A 14 -3.617 -9.739 10.229 1.00 0.00 O ATOM 0 H GLY A 14 -4.178 -11.769 6.894 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.737 -10.973 9.292 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.486 -12.198 9.378 1.00 0.00 H new ATOM 149 N GLY A 15 -3.017 -9.821 8.073 1.00 0.00 N ATOM 150 CA GLY A 15 -2.003 -8.793 8.238 1.00 0.00 C ATOM 151 C GLY A 15 -2.597 -7.412 8.458 1.00 0.00 C ATOM 152 O GLY A 15 -1.994 -6.407 8.087 1.00 0.00 O ATOM 0 H GLY A 15 -3.102 -10.193 7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.367 -9.049 9.085 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.365 -8.773 7.354 1.00 0.00 H new ATOM 156 N GLN A 16 -3.782 -7.364 9.061 1.00 0.00 N ATOM 157 CA GLN A 16 -4.462 -6.105 9.331 1.00 0.00 C ATOM 158 C GLN A 16 -3.640 -5.229 10.269 1.00 0.00 C ATOM 159 O GLN A 16 -3.312 -4.089 9.940 1.00 0.00 O ATOM 160 CB GLN A 16 -5.837 -6.380 9.941 1.00 0.00 C ATOM 161 CG GLN A 16 -6.756 -7.183 9.034 1.00 0.00 C ATOM 162 CD GLN A 16 -8.145 -7.354 9.616 1.00 0.00 C ATOM 163 OE1 GLN A 16 -8.303 -7.665 10.797 1.00 0.00 O ATOM 164 NE2 GLN A 16 -9.162 -7.150 8.788 1.00 0.00 N ATOM 0 H GLN A 16 -4.292 -8.190 9.373 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.584 -5.571 8.389 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.707 -6.917 10.880 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.316 -5.430 10.180 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.830 -6.686 8.066 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.317 -8.165 8.856 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.985 -6.894 7.817 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.120 -7.250 9.123 1.00 0.00 H new ATOM 171 N GLU A 17 -3.306 -5.769 11.439 1.00 0.00 N ATOM 172 CA GLU A 17 -2.517 -5.034 12.421 1.00 0.00 C ATOM 173 C GLU A 17 -1.212 -4.546 11.805 1.00 0.00 C ATOM 174 O GLU A 17 -0.712 -3.473 12.143 1.00 0.00 O ATOM 175 CB GLU A 17 -2.223 -5.918 13.636 1.00 0.00 C ATOM 176 CG GLU A 17 -3.471 -6.466 14.307 1.00 0.00 C ATOM 177 CD GLU A 17 -3.154 -7.317 15.520 1.00 0.00 C ATOM 178 OE1 GLU A 17 -2.343 -8.258 15.390 1.00 0.00 O ATOM 179 OE2 GLU A 17 -3.718 -7.044 16.601 1.00 0.00 O ATOM 0 H GLU A 17 -3.569 -6.711 11.728 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.095 -4.168 12.744 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.593 -6.751 13.325 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.653 -5.342 14.364 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.112 -5.637 14.607 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.035 -7.060 13.588 1.00 0.00 H new ATOM 186 N ALA A 18 -0.670 -5.342 10.889 1.00 0.00 N ATOM 187 CA ALA A 18 0.570 -4.997 10.210 1.00 0.00 C ATOM 188 C ALA A 18 0.309 -4.010 9.081 1.00 0.00 C ATOM 189 O ALA A 18 1.132 -3.141 8.799 1.00 0.00 O ATOM 190 CB ALA A 18 1.247 -6.249 9.676 1.00 0.00 C ATOM 0 H ALA A 18 -1.073 -6.233 10.600 1.00 0.00 H new ATOM 0 HA ALA A 18 1.236 -4.522 10.931 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.173 -5.975 9.171 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.471 -6.923 10.503 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.583 -6.749 8.971 1.00 0.00 H new ATOM 196 N ALA A 19 -0.852 -4.148 8.444 1.00 0.00 N ATOM 197 CA ALA A 19 -1.240 -3.271 7.347 1.00 0.00 C ATOM 198 C ALA A 19 -1.196 -1.813 7.783 1.00 0.00 C ATOM 199 O ALA A 19 -0.624 -0.960 7.100 1.00 0.00 O ATOM 200 CB ALA A 19 -2.628 -3.648 6.849 1.00 0.00 C ATOM 0 H ALA A 19 -1.542 -4.864 8.672 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.531 -3.395 6.528 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.912 -2.988 6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.621 -4.680 6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.347 -3.546 7.662 1.00 0.00 H new ATOM 206 N SER A 20 -1.788 -1.539 8.936 1.00 0.00 N ATOM 207 CA SER A 20 -1.808 -0.192 9.479 1.00 0.00 C ATOM 208 C SER A 20 -0.420 0.206 9.971 1.00 0.00 C ATOM 209 O SER A 20 -0.092 1.391 10.044 1.00 0.00 O ATOM 210 CB SER A 20 -2.819 -0.095 10.624 1.00 0.00 C ATOM 211 OG SER A 20 -4.146 -0.047 10.130 1.00 0.00 O ATOM 0 H SER A 20 -2.261 -2.234 9.513 1.00 0.00 H new ATOM 0 HA SER A 20 -2.107 0.494 8.687 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.705 -0.953 11.287 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.616 0.796 11.218 1.00 0.00 H new ATOM 0 HG SER A 20 -4.773 0.013 10.881 1.00 0.00 H new ATOM 217 N ALA A 21 0.387 -0.793 10.314 1.00 0.00 N ATOM 218 CA ALA A 21 1.733 -0.554 10.805 1.00 0.00 C ATOM 219 C ALA A 21 2.671 -0.118 9.685 1.00 0.00 C ATOM 220 O ALA A 21 3.564 0.703 9.899 1.00 0.00 O ATOM 221 CB ALA A 21 2.277 -1.799 11.489 1.00 0.00 C ATOM 0 H ALA A 21 0.128 -1.778 10.259 1.00 0.00 H new ATOM 0 HA ALA A 21 1.679 0.258 11.530 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.286 -1.604 11.851 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.635 -2.063 12.329 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.300 -2.624 10.777 1.00 0.00 H new ATOM 227 N ILE A 22 2.470 -0.668 8.490 1.00 0.00 N ATOM 228 CA ILE A 22 3.309 -0.325 7.350 1.00 0.00 C ATOM 229 C ILE A 22 3.150 1.145 7.000 1.00 0.00 C ATOM 230 O ILE A 22 4.130 1.885 6.910 1.00 0.00 O ATOM 231 CB ILE A 22 2.995 -1.170 6.094 1.00 0.00 C ATOM 232 CG1 ILE A 22 2.312 -2.495 6.464 1.00 0.00 C ATOM 233 CG2 ILE A 22 4.275 -1.420 5.316 1.00 0.00 C ATOM 234 CD1 ILE A 22 2.231 -3.491 5.323 1.00 0.00 C ATOM 0 H ILE A 22 1.738 -1.349 8.289 1.00 0.00 H new ATOM 0 HA ILE A 22 4.334 -0.540 7.652 1.00 0.00 H new ATOM 0 HB ILE A 22 2.298 -0.613 5.467 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.854 -2.951 7.292 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.304 -2.284 6.820 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.052 -2.016 4.431 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.708 -0.467 5.012 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.985 -1.957 5.946 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.735 -4.399 5.667 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.663 -3.057 4.501 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.237 -3.734 4.980 1.00 0.00 H new ATOM 238 N ALA A 23 1.904 1.564 6.813 1.00 0.00 N ATOM 239 CA ALA A 23 1.607 2.952 6.482 1.00 0.00 C ATOM 240 C ALA A 23 2.313 3.895 7.450 1.00 0.00 C ATOM 241 O ALA A 23 2.759 4.978 7.073 1.00 0.00 O ATOM 242 CB ALA A 23 0.105 3.187 6.508 1.00 0.00 C ATOM 0 H ALA A 23 1.083 0.962 6.885 1.00 0.00 H new ATOM 0 HA ALA A 23 1.974 3.157 5.476 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.105 4.227 6.259 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.378 2.535 5.780 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.280 2.967 7.504 1.00 0.00 H new ATOM 248 N GLU A 24 2.409 3.466 8.701 1.00 0.00 N ATOM 249 CA GLU A 24 3.060 4.255 9.734 1.00 0.00 C ATOM 250 C GLU A 24 4.578 4.120 9.652 1.00 0.00 C ATOM 251 O GLU A 24 5.314 5.060 9.953 1.00 0.00 O ATOM 252 CB GLU A 24 2.574 3.821 11.118 1.00 0.00 C ATOM 253 CG GLU A 24 1.098 4.092 11.356 1.00 0.00 C ATOM 254 CD GLU A 24 0.667 3.772 12.773 1.00 0.00 C ATOM 255 OE1 GLU A 24 1.195 4.407 13.711 1.00 0.00 O ATOM 256 OE2 GLU A 24 -0.198 2.888 12.947 1.00 0.00 O ATOM 0 H GLU A 24 2.042 2.571 9.025 1.00 0.00 H new ATOM 0 HA GLU A 24 2.798 5.301 9.573 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.764 2.755 11.243 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.158 4.340 11.878 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.886 5.140 11.144 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.507 3.500 10.658 1.00 0.00 H new ATOM 263 N GLU A 25 5.041 2.940 9.247 1.00 0.00 N ATOM 264 CA GLU A 25 6.471 2.676 9.131 1.00 0.00 C ATOM 265 C GLU A 25 7.103 3.531 8.035 1.00 0.00 C ATOM 266 O GLU A 25 7.732 4.550 8.317 1.00 0.00 O ATOM 267 CB GLU A 25 6.715 1.193 8.844 1.00 0.00 C ATOM 268 CG GLU A 25 6.786 0.334 10.096 1.00 0.00 C ATOM 269 CD GLU A 25 7.992 0.660 10.957 1.00 0.00 C ATOM 270 OE1 GLU A 25 9.107 0.755 10.404 1.00 0.00 O ATOM 271 OE2 GLU A 25 7.819 0.819 12.184 1.00 0.00 O ATOM 0 H GLU A 25 4.445 2.152 8.994 1.00 0.00 H new ATOM 0 HA GLU A 25 6.939 2.938 10.080 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.917 0.820 8.202 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.647 1.088 8.288 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.877 0.475 10.681 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.821 -0.717 9.810 1.00 0.00 H new ATOM 278 N LEU A 26 6.932 3.109 6.785 1.00 0.00 N ATOM 279 CA LEU A 26 7.487 3.840 5.650 1.00 0.00 C ATOM 280 C LEU A 26 6.903 5.242 5.585 1.00 0.00 C ATOM 281 O LEU A 26 7.629 6.237 5.599 1.00 0.00 O ATOM 282 CB LEU A 26 7.203 3.103 4.334 1.00 0.00 C ATOM 283 CG LEU A 26 5.985 2.174 4.350 1.00 0.00 C ATOM 284 CD1 LEU A 26 5.269 2.193 3.010 1.00 0.00 C ATOM 285 CD2 LEU A 26 6.409 0.758 4.711 1.00 0.00 C ATOM 0 H LEU A 26 6.415 2.267 6.533 1.00 0.00 H new ATOM 0 HA LEU A 26 8.566 3.907 5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.064 3.843 3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.083 2.516 4.069 1.00 0.00 H new ATOM 0 HG LEU A 26 5.289 2.534 5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.408 1.525 3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.933 3.207 2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.952 1.861 2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.535 0.107 4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.126 0.394 3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.871 0.757 5.698 1.00 0.00 H new ATOM 291 N GLY A 27 5.582 5.306 5.511 1.00 0.00 N ATOM 292 CA GLY A 27 4.899 6.584 5.440 1.00 0.00 C ATOM 293 C GLY A 27 3.813 6.592 4.384 1.00 0.00 C ATOM 294 O GLY A 27 4.001 7.136 3.295 1.00 0.00 O ATOM 0 H GLY A 27 4.967 4.492 5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.461 6.815 6.411 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.622 7.369 5.221 1.00 0.00 H new ATOM 298 N TYR A 28 2.678 5.981 4.702 1.00 0.00 N ATOM 299 CA TYR A 28 1.562 5.914 3.768 1.00 0.00 C ATOM 300 C TYR A 28 0.228 5.902 4.500 1.00 0.00 C ATOM 301 O TYR A 28 0.174 5.808 5.726 1.00 0.00 O ATOM 302 CB TYR A 28 1.671 4.655 2.906 1.00 0.00 C ATOM 303 CG TYR A 28 2.595 4.802 1.727 1.00 0.00 C ATOM 304 CD1 TYR A 28 3.968 4.729 1.896 1.00 0.00 C ATOM 305 CD2 TYR A 28 2.096 5.002 0.448 1.00 0.00 C ATOM 306 CE1 TYR A 28 4.824 4.854 0.824 1.00 0.00 C ATOM 307 CE2 TYR A 28 2.946 5.129 -0.633 1.00 0.00 C ATOM 308 CZ TYR A 28 4.310 5.053 -0.441 1.00 0.00 C ATOM 309 OH TYR A 28 5.161 5.178 -1.515 1.00 0.00 O ATOM 0 H TYR A 28 2.507 5.526 5.598 1.00 0.00 H new ATOM 0 HA TYR A 28 1.606 6.801 3.136 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.019 3.830 3.527 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.678 4.386 2.546 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.374 4.572 2.884 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.028 5.059 0.296 1.00 0.00 H new ATOM 0 HE1 TYR A 28 5.892 4.797 0.973 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.545 5.287 -1.623 1.00 0.00 H new ATOM 0 HH TYR A 28 4.638 5.312 -2.333 1.00 0.00 H new ATOM 319 N ASP A 29 -0.847 5.971 3.727 1.00 0.00 N ATOM 320 CA ASP A 29 -2.193 5.938 4.275 1.00 0.00 C ATOM 321 C ASP A 29 -2.832 4.597 3.945 1.00 0.00 C ATOM 322 O ASP A 29 -3.398 4.417 2.868 1.00 0.00 O ATOM 323 CB ASP A 29 -3.035 7.081 3.704 1.00 0.00 C ATOM 324 CG ASP A 29 -4.053 7.602 4.700 1.00 0.00 C ATOM 325 OD1 ASP A 29 -3.743 7.622 5.910 1.00 0.00 O ATOM 326 OD2 ASP A 29 -5.159 7.991 4.270 1.00 0.00 O ATOM 0 H ASP A 29 -0.810 6.051 2.711 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.144 6.063 5.357 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.378 7.896 3.400 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.551 6.736 2.808 1.00 0.00 H new ATOM 331 N LEU A 30 -2.715 3.651 4.865 1.00 0.00 N ATOM 332 CA LEU A 30 -3.257 2.316 4.650 1.00 0.00 C ATOM 333 C LEU A 30 -4.710 2.239 5.084 1.00 0.00 C ATOM 334 O LEU A 30 -5.057 2.649 6.189 1.00 0.00 O ATOM 335 CB LEU A 30 -2.429 1.283 5.419 1.00 0.00 C ATOM 336 CG LEU A 30 -3.040 -0.120 5.520 1.00 0.00 C ATOM 337 CD1 LEU A 30 -3.922 -0.237 6.751 1.00 0.00 C ATOM 338 CD2 LEU A 30 -3.810 -0.482 4.255 1.00 0.00 C ATOM 0 H LEU A 30 -2.252 3.781 5.764 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.207 2.098 3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.452 1.200 4.942 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.260 1.659 6.428 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.223 -0.834 5.621 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.345 -1.240 6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.327 -0.048 7.644 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.729 0.494 6.691 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.231 -1.482 4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.615 0.236 4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.135 -0.459 3.399 1.00 0.00 H new ATOM 344 N LEU A 31 -5.557 1.706 4.203 1.00 0.00 N ATOM 345 CA LEU A 31 -6.963 1.579 4.492 1.00 0.00 C ATOM 346 C LEU A 31 -7.574 0.359 3.832 1.00 0.00 C ATOM 347 O LEU A 31 -7.896 0.359 2.644 1.00 0.00 O ATOM 348 CB LEU A 31 -7.707 2.839 4.058 1.00 0.00 C ATOM 349 CG LEU A 31 -7.043 4.140 4.490 1.00 0.00 C ATOM 350 CD1 LEU A 31 -7.721 5.341 3.846 1.00 0.00 C ATOM 351 CD2 LEU A 31 -7.065 4.244 6.002 1.00 0.00 C ATOM 0 H LEU A 31 -5.281 1.358 3.285 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.063 1.452 5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.800 2.836 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.718 2.808 4.465 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.006 4.136 4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.227 6.256 4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.653 5.259 2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.769 5.370 4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.590 5.175 6.310 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.097 4.230 6.353 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.524 3.401 6.433 1.00 0.00 H new ATOM 357 N GLY A 32 -7.734 -0.670 4.637 1.00 0.00 N ATOM 358 CA GLY A 32 -8.318 -1.913 4.167 1.00 0.00 C ATOM 359 C GLY A 32 -9.528 -2.333 4.977 1.00 0.00 C ATOM 360 O GLY A 32 -9.411 -3.122 5.914 1.00 0.00 O ATOM 0 H GLY A 32 -7.468 -0.672 5.622 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.606 -1.802 3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.566 -2.701 4.208 1.00 0.00 H new ATOM 364 N GLN A 33 -10.695 -1.810 4.616 1.00 0.00 N ATOM 365 CA GLN A 33 -11.926 -2.144 5.321 1.00 0.00 C ATOM 366 C GLN A 33 -13.135 -2.063 4.393 1.00 0.00 C ATOM 367 O GLN A 33 -13.821 -1.042 4.341 1.00 0.00 O ATOM 368 CB GLN A 33 -12.123 -1.209 6.515 1.00 0.00 C ATOM 369 CG GLN A 33 -12.697 -1.902 7.740 1.00 0.00 C ATOM 370 CD GLN A 33 -11.669 -2.748 8.467 1.00 0.00 C ATOM 371 OE1 GLN A 33 -11.766 -3.975 8.493 1.00 0.00 O ATOM 372 NE2 GLN A 33 -10.678 -2.095 9.061 1.00 0.00 N ATOM 0 H GLN A 33 -10.814 -1.156 3.842 1.00 0.00 H new ATOM 0 HA GLN A 33 -11.838 -3.170 5.678 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.165 -0.760 6.777 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.787 -0.395 6.223 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -13.094 -1.152 8.424 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -13.533 -2.533 7.438 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.637 -1.077 9.014 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.957 -2.611 9.565 1.00 0.00 H new ATOM 379 N ILE A 34 -13.401 -3.147 3.668 1.00 0.00 N ATOM 380 CA ILE A 34 -14.540 -3.188 2.755 1.00 0.00 C ATOM 381 C ILE A 34 -15.674 -3.993 3.363 1.00 0.00 C ATOM 382 O ILE A 34 -16.820 -3.545 3.415 1.00 0.00 O ATOM 383 CB ILE A 34 -14.181 -3.776 1.367 1.00 0.00 C ATOM 384 CG1 ILE A 34 -12.812 -4.459 1.387 1.00 0.00 C ATOM 385 CG2 ILE A 34 -14.216 -2.685 0.307 1.00 0.00 C ATOM 386 CD1 ILE A 34 -11.666 -3.494 1.553 1.00 0.00 C ATOM 0 H ILE A 34 -12.847 -4.003 3.694 1.00 0.00 H new ATOM 0 HA ILE A 34 -14.850 -2.154 2.603 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.926 -4.533 1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -12.788 -5.184 2.200 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.678 -5.015 0.459 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -13.962 -3.112 -0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -15.216 -2.253 0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -13.496 -1.908 0.561 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.725 -4.044 1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.666 -2.784 0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.777 -2.955 2.494 1.00 0.00 H new ATOM 390 N GLY A 35 -15.335 -5.174 3.836 1.00 0.00 N ATOM 391 CA GLY A 35 -16.321 -6.038 4.463 1.00 0.00 C ATOM 392 C GLY A 35 -16.675 -7.252 3.626 1.00 0.00 C ATOM 393 O GLY A 35 -16.578 -8.385 4.096 1.00 0.00 O ATOM 0 H GLY A 35 -14.391 -5.559 3.800 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.941 -6.370 5.429 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -17.226 -5.463 4.657 1.00 0.00 H new ATOM 397 N SER A 36 -17.098 -7.016 2.385 1.00 0.00 N ATOM 398 CA SER A 36 -17.482 -8.098 1.480 1.00 0.00 C ATOM 399 C SER A 36 -16.495 -9.261 1.548 1.00 0.00 C ATOM 400 O SER A 36 -16.893 -10.425 1.585 1.00 0.00 O ATOM 401 CB SER A 36 -17.574 -7.578 0.044 1.00 0.00 C ATOM 402 OG SER A 36 -18.257 -8.497 -0.789 1.00 0.00 O ATOM 0 H SER A 36 -17.184 -6.083 1.983 1.00 0.00 H new ATOM 0 HA SER A 36 -18.459 -8.464 1.796 1.00 0.00 H new ATOM 0 HB2 SER A 36 -18.092 -6.619 0.034 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.572 -7.403 -0.347 1.00 0.00 H new ATOM 0 HG SER A 36 -18.303 -8.140 -1.701 1.00 0.00 H new ATOM 408 N LEU A 37 -15.207 -8.937 1.561 1.00 0.00 N ATOM 409 CA LEU A 37 -14.161 -9.950 1.620 1.00 0.00 C ATOM 410 C LEU A 37 -13.338 -9.824 2.896 1.00 0.00 C ATOM 411 O LEU A 37 -12.653 -10.763 3.305 1.00 0.00 O ATOM 412 CB LEU A 37 -13.249 -9.835 0.401 1.00 0.00 C ATOM 413 CG LEU A 37 -12.919 -8.405 -0.041 1.00 0.00 C ATOM 414 CD1 LEU A 37 -14.128 -7.738 -0.683 1.00 0.00 C ATOM 415 CD2 LEU A 37 -12.407 -7.578 1.128 1.00 0.00 C ATOM 0 H LEU A 37 -14.862 -7.978 1.531 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.642 -10.928 1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.316 -10.355 0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.719 -10.356 -0.433 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.128 -8.462 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.866 -6.725 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.438 -8.310 -1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.947 -7.701 0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.180 -6.568 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.170 -7.536 1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.504 -8.037 1.530 1.00 0.00 H new ATOM 421 N GLU A 38 -13.416 -8.655 3.515 1.00 0.00 N ATOM 422 CA GLU A 38 -12.694 -8.363 4.748 1.00 0.00 C ATOM 423 C GLU A 38 -11.292 -8.959 4.736 1.00 0.00 C ATOM 424 O GLU A 38 -11.067 -10.065 5.227 1.00 0.00 O ATOM 425 CB GLU A 38 -13.473 -8.888 5.938 1.00 0.00 C ATOM 426 CG GLU A 38 -14.348 -7.838 6.600 1.00 0.00 C ATOM 427 CD GLU A 38 -14.078 -7.701 8.085 1.00 0.00 C ATOM 428 OE1 GLU A 38 -13.192 -6.903 8.457 1.00 0.00 O ATOM 429 OE2 GLU A 38 -14.753 -8.393 8.878 1.00 0.00 O ATOM 0 H GLU A 38 -13.984 -7.878 3.176 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.592 -7.281 4.827 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -14.099 -9.720 5.614 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.773 -9.283 6.674 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.183 -6.876 6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -15.396 -8.096 6.448 1.00 0.00 H new ATOM 436 N ASN A 39 -10.361 -8.207 4.173 1.00 0.00 N ATOM 437 CA ASN A 39 -8.965 -8.630 4.080 1.00 0.00 C ATOM 438 C ASN A 39 -8.164 -7.667 3.213 1.00 0.00 C ATOM 439 O ASN A 39 -6.965 -7.487 3.404 1.00 0.00 O ATOM 440 CB ASN A 39 -8.870 -10.068 3.537 1.00 0.00 C ATOM 441 CG ASN A 39 -8.311 -10.145 2.127 1.00 0.00 C ATOM 442 OD1 ASN A 39 -7.275 -10.764 1.890 1.00 0.00 O ATOM 443 ND2 ASN A 39 -8.999 -9.513 1.186 1.00 0.00 N ATOM 0 H ASN A 39 -10.546 -7.289 3.768 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.536 -8.616 5.082 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.240 -10.659 4.202 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.862 -10.520 3.552 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.674 -9.528 0.219 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.854 -9.012 1.429 1.00 0.00 H new ATOM 448 N HIS A 40 -8.841 -7.064 2.258 1.00 0.00 N ATOM 449 CA HIS A 40 -8.226 -6.116 1.343 1.00 0.00 C ATOM 450 C HIS A 40 -7.678 -4.909 2.094 1.00 0.00 C ATOM 451 O HIS A 40 -8.302 -4.407 3.028 1.00 0.00 O ATOM 452 CB HIS A 40 -9.242 -5.664 0.295 1.00 0.00 C ATOM 453 CG HIS A 40 -8.626 -5.314 -1.025 1.00 0.00 C ATOM 454 ND1 HIS A 40 -8.787 -6.084 -2.158 1.00 0.00 N ATOM 455 CD2 HIS A 40 -7.846 -4.269 -1.390 1.00 0.00 C ATOM 456 CE1 HIS A 40 -8.132 -5.529 -3.161 1.00 0.00 C ATOM 457 NE2 HIS A 40 -7.554 -4.426 -2.721 1.00 0.00 N ATOM 0 H HIS A 40 -9.836 -7.216 2.091 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.394 -6.614 0.845 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -9.975 -6.457 0.146 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -9.783 -4.797 0.675 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -9.328 -6.947 -2.212 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -7.516 -3.463 -0.752 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -8.078 -5.912 -4.169 1.00 0.00 H new ATOM 466 N TYR A 41 -6.508 -4.449 1.671 1.00 0.00 N ATOM 467 CA TYR A 41 -5.863 -3.299 2.289 1.00 0.00 C ATOM 468 C TYR A 41 -5.127 -2.494 1.226 1.00 0.00 C ATOM 469 O TYR A 41 -4.531 -3.063 0.313 1.00 0.00 O ATOM 470 CB TYR A 41 -4.912 -3.760 3.397 1.00 0.00 C ATOM 471 CG TYR A 41 -5.590 -3.926 4.745 1.00 0.00 C ATOM 472 CD1 TYR A 41 -6.466 -4.979 4.980 1.00 0.00 C ATOM 473 CD2 TYR A 41 -5.362 -3.026 5.779 1.00 0.00 C ATOM 474 CE1 TYR A 41 -7.089 -5.131 6.203 1.00 0.00 C ATOM 475 CE2 TYR A 41 -5.982 -3.172 7.005 1.00 0.00 C ATOM 476 CZ TYR A 41 -6.844 -4.226 7.212 1.00 0.00 C ATOM 477 OH TYR A 41 -7.464 -4.374 8.432 1.00 0.00 O ATOM 0 H TYR A 41 -5.984 -4.858 0.897 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.618 -2.657 2.744 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.461 -4.709 3.107 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.101 -3.038 3.493 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.663 -5.691 4.192 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.688 -2.197 5.621 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.766 -5.956 6.368 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.792 -2.463 7.797 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.182 -3.652 9.032 1.00 0.00 H new ATOM 487 N LEU A 42 -5.204 -1.169 1.317 1.00 0.00 N ATOM 488 CA LEU A 42 -4.571 -0.317 0.315 1.00 0.00 C ATOM 489 C LEU A 42 -3.927 0.927 0.931 1.00 0.00 C ATOM 490 O LEU A 42 -4.453 1.510 1.878 1.00 0.00 O ATOM 491 CB LEU A 42 -5.619 0.052 -0.742 1.00 0.00 C ATOM 492 CG LEU A 42 -5.982 1.531 -0.857 1.00 0.00 C ATOM 493 CD1 LEU A 42 -6.095 1.921 -2.317 1.00 0.00 C ATOM 494 CD2 LEU A 42 -7.280 1.811 -0.114 1.00 0.00 C ATOM 0 H LEU A 42 -5.690 -0.669 2.061 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.755 -0.868 -0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.258 -0.287 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.530 -0.507 -0.528 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.195 2.132 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.354 2.977 -2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.142 1.745 -2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.870 1.322 -2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.529 2.868 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.082 1.212 -0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.160 1.554 0.938 1.00 0.00 H new ATOM 500 N PHE A 43 -2.779 1.326 0.375 1.00 0.00 N ATOM 501 CA PHE A 43 -2.046 2.498 0.857 1.00 0.00 C ATOM 502 C PHE A 43 -2.256 3.701 -0.063 1.00 0.00 C ATOM 503 O PHE A 43 -2.159 3.581 -1.283 1.00 0.00 O ATOM 504 CB PHE A 43 -0.542 2.202 0.927 1.00 0.00 C ATOM 505 CG PHE A 43 -0.137 1.148 1.926 1.00 0.00 C ATOM 506 CD1 PHE A 43 -1.077 0.359 2.566 1.00 0.00 C ATOM 507 CD2 PHE A 43 1.202 0.948 2.213 1.00 0.00 C ATOM 508 CE1 PHE A 43 -0.689 -0.608 3.473 1.00 0.00 C ATOM 509 CE2 PHE A 43 1.596 -0.016 3.117 1.00 0.00 C ATOM 510 CZ PHE A 43 0.648 -0.795 3.749 1.00 0.00 C ATOM 0 H PHE A 43 -2.337 0.852 -0.412 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.430 2.730 1.850 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.204 1.891 -0.061 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.018 3.127 1.167 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.126 0.501 2.354 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.948 1.555 1.722 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.433 -1.217 3.965 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.645 -0.161 3.330 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.954 -1.550 4.459 1.00 0.00 H new ATOM 520 N LYS A 44 -2.519 4.865 0.529 1.00 0.00 N ATOM 521 CA LYS A 44 -2.714 6.088 -0.247 1.00 0.00 C ATOM 522 C LYS A 44 -1.739 7.175 0.200 1.00 0.00 C ATOM 523 O LYS A 44 -1.962 7.839 1.212 1.00 0.00 O ATOM 524 CB LYS A 44 -4.147 6.596 -0.101 1.00 0.00 C ATOM 525 CG LYS A 44 -5.157 5.801 -0.909 1.00 0.00 C ATOM 526 CD LYS A 44 -5.621 4.571 -0.151 1.00 0.00 C ATOM 527 CE LYS A 44 -6.543 4.936 1.000 1.00 0.00 C ATOM 528 NZ LYS A 44 -7.898 5.329 0.524 1.00 0.00 N ATOM 0 H LYS A 44 -2.602 4.987 1.538 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.525 5.852 -1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.430 6.564 0.951 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.187 7.640 -0.411 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.015 6.431 -1.145 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.712 5.500 -1.858 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.139 3.897 -0.833 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.755 4.032 0.233 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.629 4.088 1.679 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.106 5.757 1.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.010 6.359 0.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.011 5.049 -0.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.620 4.853 1.101 1.00 0.00 H new ATOM 542 N HIS A 45 -0.660 7.356 -0.559 1.00 0.00 N ATOM 543 CA HIS A 45 0.337 8.369 -0.229 1.00 0.00 C ATOM 544 C HIS A 45 1.089 8.836 -1.471 1.00 0.00 C ATOM 545 O HIS A 45 1.750 8.046 -2.144 1.00 0.00 O ATOM 546 CB HIS A 45 1.326 7.831 0.804 1.00 0.00 C ATOM 547 CG HIS A 45 1.742 8.852 1.818 1.00 0.00 C ATOM 548 ND1 HIS A 45 0.897 9.329 2.798 1.00 0.00 N ATOM 549 CD2 HIS A 45 2.924 9.488 2.002 1.00 0.00 C ATOM 550 CE1 HIS A 45 1.539 10.213 3.539 1.00 0.00 C ATOM 551 NE2 HIS A 45 2.771 10.327 3.077 1.00 0.00 N ATOM 0 H HIS A 45 -0.456 6.818 -1.401 1.00 0.00 H new ATOM 0 HA HIS A 45 -0.191 9.224 0.192 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.877 6.981 1.318 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.212 7.460 0.289 1.00 0.00 H new ATOM 0 HD2 HIS A 45 3.820 9.359 1.413 1.00 0.00 H new ATOM 0 HE1 HIS A 45 1.127 10.751 4.380 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.492 10.940 3.458 1.00 0.00 H new ATOM 560 N LYS A 46 0.986 10.129 -1.763 1.00 0.00 N ATOM 561 CA LYS A 46 1.657 10.713 -2.920 1.00 0.00 C ATOM 562 C LYS A 46 2.118 12.136 -2.618 1.00 0.00 C ATOM 563 O LYS A 46 2.215 12.971 -3.517 1.00 0.00 O ATOM 564 CB LYS A 46 0.723 10.719 -4.130 1.00 0.00 C ATOM 565 CG LYS A 46 0.441 9.336 -4.691 1.00 0.00 C ATOM 566 CD LYS A 46 -0.956 9.249 -5.280 1.00 0.00 C ATOM 567 CE LYS A 46 -2.017 9.254 -4.193 1.00 0.00 C ATOM 568 NZ LYS A 46 -3.395 9.191 -4.757 1.00 0.00 N ATOM 0 H LYS A 46 0.443 10.794 -1.213 1.00 0.00 H new ATOM 0 HA LYS A 46 2.531 10.103 -3.146 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.220 11.186 -3.847 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.162 11.337 -4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.176 9.097 -5.459 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.551 8.592 -3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.121 10.089 -5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.046 8.340 -5.874 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.858 8.405 -3.528 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.913 10.156 -3.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.088 9.197 -3.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.557 10.014 -5.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.503 8.318 -5.312 1.00 0.00 H new ATOM 582 N SER A 47 2.394 12.406 -1.347 1.00 0.00 N ATOM 583 CA SER A 47 2.837 13.727 -0.921 1.00 0.00 C ATOM 584 C SER A 47 4.096 14.162 -1.669 1.00 0.00 C ATOM 585 O SER A 47 4.364 15.354 -1.809 1.00 0.00 O ATOM 586 CB SER A 47 3.099 13.735 0.586 1.00 0.00 C ATOM 587 OG SER A 47 3.689 14.958 0.994 1.00 0.00 O ATOM 0 H SER A 47 2.318 11.725 -0.592 1.00 0.00 H new ATOM 0 HA SER A 47 2.042 14.436 -1.155 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.162 13.583 1.122 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.755 12.905 0.849 1.00 0.00 H new ATOM 0 HG SER A 47 3.845 14.939 1.961 1.00 0.00 H new ATOM 593 N HIS A 48 4.869 13.189 -2.142 1.00 0.00 N ATOM 594 CA HIS A 48 6.102 13.485 -2.870 1.00 0.00 C ATOM 595 C HIS A 48 5.848 13.587 -4.375 1.00 0.00 C ATOM 596 O HIS A 48 6.048 14.645 -4.972 1.00 0.00 O ATOM 597 CB HIS A 48 7.188 12.431 -2.589 1.00 0.00 C ATOM 598 CG HIS A 48 6.768 11.338 -1.651 1.00 0.00 C ATOM 599 ND1 HIS A 48 6.251 11.580 -0.396 1.00 0.00 N ATOM 600 CD2 HIS A 48 6.791 9.991 -1.791 1.00 0.00 C ATOM 601 CE1 HIS A 48 5.976 10.431 0.194 1.00 0.00 C ATOM 602 NE2 HIS A 48 6.293 9.451 -0.632 1.00 0.00 N ATOM 0 H HIS A 48 4.667 12.195 -2.036 1.00 0.00 H new ATOM 0 HA HIS A 48 6.460 14.451 -2.513 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.495 11.983 -3.534 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.063 12.931 -2.175 1.00 0.00 H new ATOM 0 HD1 HIS A 48 6.104 12.503 0.013 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.137 9.443 -2.655 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.562 10.313 1.184 1.00 0.00 H new ATOM 611 N PRO A 49 5.411 12.486 -5.014 1.00 0.00 N ATOM 612 CA PRO A 49 5.144 12.468 -6.456 1.00 0.00 C ATOM 613 C PRO A 49 3.838 13.161 -6.826 1.00 0.00 C ATOM 614 O PRO A 49 3.143 13.707 -5.969 1.00 0.00 O ATOM 615 CB PRO A 49 5.056 10.978 -6.775 1.00 0.00 C ATOM 616 CG PRO A 49 4.574 10.353 -5.513 1.00 0.00 C ATOM 617 CD PRO A 49 5.150 11.174 -4.390 1.00 0.00 C ATOM 0 HA PRO A 49 5.913 13.003 -7.014 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.368 10.789 -7.599 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.026 10.578 -7.071 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.485 10.348 -5.472 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.900 9.315 -5.443 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.452 11.259 -3.557 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.064 10.729 -3.996 1.00 0.00 H new ATOM 625 N ARG A 50 3.511 13.126 -8.115 1.00 0.00 N ATOM 626 CA ARG A 50 2.289 13.740 -8.618 1.00 0.00 C ATOM 627 C ARG A 50 1.759 12.967 -9.822 1.00 0.00 C ATOM 628 O ARG A 50 1.228 13.553 -10.764 1.00 0.00 O ATOM 629 CB ARG A 50 2.547 15.198 -9.006 1.00 0.00 C ATOM 630 CG ARG A 50 1.288 16.048 -9.051 1.00 0.00 C ATOM 631 CD ARG A 50 1.618 17.532 -9.060 1.00 0.00 C ATOM 632 NE ARG A 50 0.667 18.309 -8.268 1.00 0.00 N ATOM 633 CZ ARG A 50 0.650 18.325 -6.937 1.00 0.00 C ATOM 634 NH1 ARG A 50 1.530 17.610 -6.246 1.00 0.00 N ATOM 635 NH2 ARG A 50 -0.249 19.058 -6.294 1.00 0.00 N ATOM 0 H ARG A 50 4.080 12.676 -8.832 1.00 0.00 H new ATOM 0 HA ARG A 50 1.540 13.712 -7.826 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.246 15.636 -8.294 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.029 15.225 -9.983 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.710 15.797 -9.940 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.662 15.819 -8.189 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.624 17.682 -8.668 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.618 17.897 -10.087 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.024 18.872 -8.764 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.224 17.045 -6.735 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.512 17.626 -5.226 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.927 19.609 -6.819 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.262 19.070 -5.274 1.00 0.00 H new ATOM 649 N ARG A 51 1.914 11.646 -9.781 1.00 0.00 N ATOM 650 CA ARG A 51 1.461 10.780 -10.868 1.00 0.00 C ATOM 651 C ARG A 51 2.365 10.935 -12.084 1.00 0.00 C ATOM 652 O ARG A 51 1.920 11.355 -13.153 1.00 0.00 O ATOM 653 CB ARG A 51 0.009 11.099 -11.244 1.00 0.00 C ATOM 654 CG ARG A 51 -0.910 11.267 -10.045 1.00 0.00 C ATOM 655 CD ARG A 51 -2.288 11.754 -10.464 1.00 0.00 C ATOM 656 NE ARG A 51 -3.096 10.680 -11.036 1.00 0.00 N ATOM 657 CZ ARG A 51 -4.423 10.717 -11.127 1.00 0.00 C ATOM 658 NH1 ARG A 51 -5.097 11.772 -10.685 1.00 0.00 N ATOM 659 NH2 ARG A 51 -5.080 9.697 -11.662 1.00 0.00 N ATOM 0 H ARG A 51 2.351 11.150 -9.004 1.00 0.00 H new ATOM 0 HA ARG A 51 1.511 9.747 -10.525 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.011 12.013 -11.837 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.377 10.300 -11.877 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.003 10.316 -9.520 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.470 11.976 -9.344 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.803 12.174 -9.600 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.183 12.557 -11.194 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.614 9.852 -11.387 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.598 12.560 -10.273 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.114 11.794 -10.758 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.568 8.884 -12.004 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.097 9.726 -11.732 1.00 0.00 H new ATOM 673 N SER A 52 3.641 10.590 -11.905 1.00 0.00 N ATOM 674 CA SER A 52 4.646 10.683 -12.970 1.00 0.00 C ATOM 675 C SER A 52 6.040 10.852 -12.377 1.00 0.00 C ATOM 676 O SER A 52 6.954 10.086 -12.678 1.00 0.00 O ATOM 677 CB SER A 52 4.350 11.856 -13.912 1.00 0.00 C ATOM 678 OG SER A 52 3.870 12.980 -13.192 1.00 0.00 O ATOM 0 H SER A 52 4.008 10.239 -11.021 1.00 0.00 H new ATOM 0 HA SER A 52 4.604 9.756 -13.541 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.255 12.128 -14.455 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.611 11.553 -14.654 1.00 0.00 H new ATOM 0 HG SER A 52 2.890 12.971 -13.187 1.00 0.00 H new ATOM 684 N ARG A 53 6.190 11.867 -11.532 1.00 0.00 N ATOM 685 CA ARG A 53 7.469 12.151 -10.891 1.00 0.00 C ATOM 686 C ARG A 53 7.949 10.961 -10.067 1.00 0.00 C ATOM 687 O ARG A 53 7.530 10.777 -8.923 1.00 0.00 O ATOM 688 CB ARG A 53 7.349 13.388 -9.999 1.00 0.00 C ATOM 689 CG ARG A 53 8.679 14.070 -9.723 1.00 0.00 C ATOM 690 CD ARG A 53 9.090 14.976 -10.872 1.00 0.00 C ATOM 691 NE ARG A 53 9.568 14.215 -12.025 1.00 0.00 N ATOM 692 CZ ARG A 53 10.787 13.689 -12.111 1.00 0.00 C ATOM 693 NH1 ARG A 53 11.654 13.838 -11.117 1.00 0.00 N ATOM 694 NH2 ARG A 53 11.141 13.013 -13.196 1.00 0.00 N ATOM 0 H ARG A 53 5.439 12.508 -11.275 1.00 0.00 H new ATOM 0 HA ARG A 53 8.203 12.342 -11.674 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.675 14.102 -10.472 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.894 13.100 -9.051 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.606 14.654 -8.806 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.449 13.316 -9.560 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.241 15.591 -11.170 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.873 15.655 -10.536 1.00 0.00 H new ATOM 0 HE ARG A 53 8.930 14.079 -12.809 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.387 14.358 -10.281 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.587 13.432 -11.189 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.479 12.897 -13.963 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.075 12.609 -13.263 1.00 0.00 H new ATOM 708 N ARG A 54 8.832 10.159 -10.652 1.00 0.00 N ATOM 709 CA ARG A 54 9.375 8.988 -9.971 1.00 0.00 C ATOM 710 C ARG A 54 8.258 8.086 -9.454 1.00 0.00 C ATOM 711 O ARG A 54 7.075 8.375 -9.640 1.00 0.00 O ATOM 712 CB ARG A 54 10.272 9.421 -8.810 1.00 0.00 C ATOM 713 CG ARG A 54 11.623 9.961 -9.252 1.00 0.00 C ATOM 714 CD ARG A 54 11.924 11.311 -8.619 1.00 0.00 C ATOM 715 NE ARG A 54 11.834 11.264 -7.161 1.00 0.00 N ATOM 716 CZ ARG A 54 12.267 12.235 -6.359 1.00 0.00 C ATOM 717 NH1 ARG A 54 12.820 13.329 -6.868 1.00 0.00 N ATOM 718 NH2 ARG A 54 12.147 12.112 -5.044 1.00 0.00 N ATOM 0 H ARG A 54 9.188 10.298 -11.598 1.00 0.00 H new ATOM 0 HA ARG A 54 9.966 8.423 -10.692 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.757 10.186 -8.230 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.430 8.570 -8.147 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.405 9.251 -8.983 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.639 10.056 -10.338 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.924 11.633 -8.910 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.225 12.055 -9.002 1.00 0.00 H new ATOM 0 HE ARG A 54 11.415 10.439 -6.732 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.915 13.429 -7.879 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.150 14.069 -6.249 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.723 11.274 -4.647 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.479 12.856 -4.430 1.00 0.00 H new ATOM 732 N SER A 55 8.643 6.996 -8.801 1.00 0.00 N ATOM 733 CA SER A 55 7.679 6.050 -8.251 1.00 0.00 C ATOM 734 C SER A 55 7.931 5.830 -6.763 1.00 0.00 C ATOM 735 O SER A 55 8.795 6.476 -6.170 1.00 0.00 O ATOM 736 CB SER A 55 7.757 4.716 -8.997 1.00 0.00 C ATOM 737 OG SER A 55 8.323 4.884 -10.284 1.00 0.00 O ATOM 0 H SER A 55 9.618 6.745 -8.639 1.00 0.00 H new ATOM 0 HA SER A 55 6.680 6.468 -8.377 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.356 4.009 -8.423 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.759 4.288 -9.088 1.00 0.00 H new ATOM 0 HG SER A 55 8.363 4.017 -10.739 1.00 0.00 H new ATOM 743 N ALA A 56 7.175 4.915 -6.166 1.00 0.00 N ATOM 744 CA ALA A 56 7.323 4.614 -4.748 1.00 0.00 C ATOM 745 C ALA A 56 8.746 4.159 -4.433 1.00 0.00 C ATOM 746 O ALA A 56 9.643 4.277 -5.268 1.00 0.00 O ATOM 747 CB ALA A 56 6.318 3.555 -4.321 1.00 0.00 C ATOM 0 H ALA A 56 6.455 4.370 -6.641 1.00 0.00 H new ATOM 0 HA ALA A 56 7.126 5.526 -4.185 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.443 3.342 -3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.307 3.919 -4.502 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.484 2.644 -4.895 1.00 0.00 H new ATOM 753 N LEU A 57 8.947 3.643 -3.226 1.00 0.00 N ATOM 754 CA LEU A 57 10.263 3.176 -2.807 1.00 0.00 C ATOM 755 C LEU A 57 10.212 2.582 -1.402 1.00 0.00 C ATOM 756 O LEU A 57 10.389 1.377 -1.221 1.00 0.00 O ATOM 757 CB LEU A 57 11.268 4.324 -2.845 1.00 0.00 C ATOM 758 CG LEU A 57 10.726 5.663 -2.349 1.00 0.00 C ATOM 759 CD1 LEU A 57 11.465 6.103 -1.096 1.00 0.00 C ATOM 760 CD2 LEU A 57 10.824 6.711 -3.441 1.00 0.00 C ATOM 0 H LEU A 57 8.217 3.538 -2.521 1.00 0.00 H new ATOM 0 HA LEU A 57 10.579 2.397 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.133 4.051 -2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.620 4.447 -3.869 1.00 0.00 H new ATOM 0 HG LEU A 57 9.673 5.542 -2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.067 7.059 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.332 5.355 -0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.527 6.211 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.434 7.659 -3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.867 6.837 -3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.242 6.391 -4.305 1.00 0.00 H new ATOM 766 N HIS A 58 9.958 3.434 -0.411 1.00 0.00 N ATOM 767 CA HIS A 58 9.875 2.991 0.976 1.00 0.00 C ATOM 768 C HIS A 58 8.716 2.019 1.156 1.00 0.00 C ATOM 769 O HIS A 58 8.659 1.289 2.144 1.00 0.00 O ATOM 770 CB HIS A 58 9.723 4.181 1.936 1.00 0.00 C ATOM 771 CG HIS A 58 9.002 5.361 1.355 1.00 0.00 C ATOM 772 ND1 HIS A 58 8.000 5.247 0.416 1.00 0.00 N ATOM 773 CD2 HIS A 58 9.148 6.688 1.586 1.00 0.00 C ATOM 774 CE1 HIS A 58 7.561 6.449 0.093 1.00 0.00 C ATOM 775 NE2 HIS A 58 8.241 7.341 0.789 1.00 0.00 N ATOM 0 H HIS A 58 9.806 4.434 -0.544 1.00 0.00 H new ATOM 0 HA HIS A 58 10.807 2.480 1.218 1.00 0.00 H new ATOM 0 HB2 HIS A 58 9.190 3.848 2.826 1.00 0.00 H new ATOM 0 HB3 HIS A 58 10.714 4.500 2.259 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.847 7.146 2.270 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.779 6.666 -0.619 1.00 0.00 H new ATOM 0 HE2 HIS A 58 8.113 8.352 0.742 1.00 0.00 H new ATOM 784 N ILE A 59 7.800 2.000 0.191 1.00 0.00 N ATOM 785 CA ILE A 59 6.664 1.098 0.250 1.00 0.00 C ATOM 786 C ILE A 59 6.971 -0.202 -0.488 1.00 0.00 C ATOM 787 O ILE A 59 6.098 -1.050 -0.664 1.00 0.00 O ATOM 788 CB ILE A 59 5.384 1.751 -0.322 1.00 0.00 C ATOM 789 CG1 ILE A 59 4.145 1.193 0.395 1.00 0.00 C ATOM 790 CG2 ILE A 59 5.286 1.569 -1.834 1.00 0.00 C ATOM 791 CD1 ILE A 59 3.095 0.601 -0.525 1.00 0.00 C ATOM 0 H ILE A 59 7.826 2.597 -0.635 1.00 0.00 H new ATOM 0 HA ILE A 59 6.481 0.873 1.301 1.00 0.00 H new ATOM 0 HB ILE A 59 5.435 2.824 -0.139 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.465 0.426 1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.688 1.993 0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.374 2.041 -2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.150 2.030 -2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.264 0.505 -2.072 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.258 0.232 0.068 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.742 1.368 -1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.530 -0.223 -1.091 1.00 0.00 H new ATOM 795 N THR A 60 8.225 -0.355 -0.904 1.00 0.00 N ATOM 796 CA THR A 60 8.655 -1.556 -1.606 1.00 0.00 C ATOM 797 C THR A 60 9.465 -2.447 -0.670 1.00 0.00 C ATOM 798 O THR A 60 10.360 -3.173 -1.103 1.00 0.00 O ATOM 799 CB THR A 60 9.488 -1.189 -2.835 1.00 0.00 C ATOM 800 OG1 THR A 60 9.071 0.056 -3.368 1.00 0.00 O ATOM 801 CG2 THR A 60 9.403 -2.216 -3.944 1.00 0.00 C ATOM 0 H THR A 60 8.960 0.339 -0.766 1.00 0.00 H new ATOM 0 HA THR A 60 7.771 -2.101 -1.937 1.00 0.00 H new ATOM 0 HB THR A 60 10.519 -1.143 -2.484 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.616 0.275 -4.152 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.017 -1.894 -4.786 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.764 -3.177 -3.578 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.367 -2.317 -4.268 1.00 0.00 H new ATOM 806 N LYS A 61 9.140 -2.381 0.617 1.00 0.00 N ATOM 807 CA LYS A 61 9.832 -3.175 1.628 1.00 0.00 C ATOM 808 C LYS A 61 8.834 -3.857 2.557 1.00 0.00 C ATOM 809 O LYS A 61 8.541 -5.043 2.406 1.00 0.00 O ATOM 810 CB LYS A 61 10.804 -2.307 2.449 1.00 0.00 C ATOM 811 CG LYS A 61 10.498 -0.809 2.430 1.00 0.00 C ATOM 812 CD LYS A 61 10.094 -0.295 3.806 1.00 0.00 C ATOM 813 CE LYS A 61 10.620 1.111 4.058 1.00 0.00 C ATOM 814 NZ LYS A 61 11.729 1.118 5.051 1.00 0.00 N ATOM 0 H LYS A 61 8.400 -1.784 0.986 1.00 0.00 H new ATOM 0 HA LYS A 61 10.408 -3.940 1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.793 -2.653 3.483 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.815 -2.462 2.072 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.375 -0.264 2.082 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.696 -0.611 1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.007 -0.298 3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.475 -0.969 4.573 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.970 1.542 3.120 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.808 1.744 4.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.060 2.093 5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.389 0.731 5.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.514 0.535 4.698 1.00 0.00 H new ATOM 828 N ARG A 62 8.310 -3.100 3.513 1.00 0.00 N ATOM 829 CA ARG A 62 7.343 -3.630 4.462 1.00 0.00 C ATOM 830 C ARG A 62 6.054 -4.034 3.753 1.00 0.00 C ATOM 831 O ARG A 62 5.296 -4.866 4.251 1.00 0.00 O ATOM 832 CB ARG A 62 7.049 -2.596 5.548 1.00 0.00 C ATOM 833 CG ARG A 62 8.224 -2.342 6.478 1.00 0.00 C ATOM 834 CD ARG A 62 8.443 -3.506 7.432 1.00 0.00 C ATOM 835 NE ARG A 62 8.307 -3.103 8.829 1.00 0.00 N ATOM 836 CZ ARG A 62 8.781 -3.808 9.854 1.00 0.00 C ATOM 837 NH1 ARG A 62 9.422 -4.951 9.643 1.00 0.00 N ATOM 838 NH2 ARG A 62 8.614 -3.369 11.094 1.00 0.00 N ATOM 0 H ARG A 62 8.540 -2.116 3.651 1.00 0.00 H new ATOM 0 HA ARG A 62 7.770 -4.519 4.927 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.760 -1.657 5.076 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.196 -2.932 6.137 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.126 -2.178 5.889 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.047 -1.431 7.049 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.725 -4.296 7.211 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.436 -3.925 7.271 1.00 0.00 H new ATOM 0 HE ARG A 62 7.820 -2.230 9.031 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.554 -5.294 8.691 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.783 -5.487 10.432 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.122 -2.491 11.262 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.977 -3.909 11.879 1.00 0.00 H new ATOM 852 N LEU A 63 5.819 -3.452 2.579 1.00 0.00 N ATOM 853 CA LEU A 63 4.632 -3.768 1.796 1.00 0.00 C ATOM 854 C LEU A 63 4.679 -5.227 1.374 1.00 0.00 C ATOM 855 O LEU A 63 3.765 -5.998 1.662 1.00 0.00 O ATOM 856 CB LEU A 63 4.550 -2.847 0.569 1.00 0.00 C ATOM 857 CG LEU A 63 3.238 -2.875 -0.226 1.00 0.00 C ATOM 858 CD1 LEU A 63 2.875 -4.292 -0.640 1.00 0.00 C ATOM 859 CD2 LEU A 63 2.112 -2.237 0.573 1.00 0.00 C ATOM 0 H LEU A 63 6.435 -2.761 2.152 1.00 0.00 H new ATOM 0 HA LEU A 63 3.741 -3.606 2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.726 -1.823 0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.364 -3.108 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 63 3.384 -2.292 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.941 -4.279 -1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.668 -4.703 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.755 -4.911 0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.191 -2.267 -0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.971 -2.785 1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.366 -1.201 0.797 1.00 0.00 H new ATOM 865 N SER A 64 5.763 -5.605 0.708 1.00 0.00 N ATOM 866 CA SER A 64 5.930 -6.982 0.274 1.00 0.00 C ATOM 867 C SER A 64 6.175 -7.869 1.489 1.00 0.00 C ATOM 868 O SER A 64 5.761 -9.030 1.526 1.00 0.00 O ATOM 869 CB SER A 64 7.078 -7.106 -0.728 1.00 0.00 C ATOM 870 OG SER A 64 8.318 -7.299 -0.070 1.00 0.00 O ATOM 0 H SER A 64 6.532 -4.982 0.459 1.00 0.00 H new ATOM 0 HA SER A 64 5.019 -7.307 -0.229 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.887 -7.942 -1.401 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.126 -6.207 -1.342 1.00 0.00 H new ATOM 0 HG SER A 64 9.033 -7.376 -0.736 1.00 0.00 H new ATOM 876 N ASP A 65 6.832 -7.303 2.500 1.00 0.00 N ATOM 877 CA ASP A 65 7.106 -8.031 3.729 1.00 0.00 C ATOM 878 C ASP A 65 5.795 -8.484 4.361 1.00 0.00 C ATOM 879 O ASP A 65 5.649 -9.639 4.757 1.00 0.00 O ATOM 880 CB ASP A 65 7.890 -7.157 4.710 1.00 0.00 C ATOM 881 CG ASP A 65 8.876 -7.958 5.538 1.00 0.00 C ATOM 882 OD1 ASP A 65 8.428 -8.749 6.395 1.00 0.00 O ATOM 883 OD2 ASP A 65 10.097 -7.793 5.331 1.00 0.00 O ATOM 0 H ASP A 65 7.182 -6.345 2.489 1.00 0.00 H new ATOM 0 HA ASP A 65 7.711 -8.906 3.491 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.426 -6.386 4.157 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.193 -6.646 5.374 1.00 0.00 H new ATOM 888 N ASP A 66 4.832 -7.566 4.427 1.00 0.00 N ATOM 889 CA ASP A 66 3.522 -7.876 4.981 1.00 0.00 C ATOM 890 C ASP A 66 2.663 -8.578 3.933 1.00 0.00 C ATOM 891 O ASP A 66 1.705 -9.275 4.263 1.00 0.00 O ATOM 892 CB ASP A 66 2.825 -6.602 5.461 1.00 0.00 C ATOM 893 CG ASP A 66 1.623 -6.894 6.338 1.00 0.00 C ATOM 894 OD1 ASP A 66 1.598 -7.970 6.972 1.00 0.00 O ATOM 895 OD2 ASP A 66 0.708 -6.047 6.391 1.00 0.00 O ATOM 0 H ASP A 66 4.937 -6.604 4.104 1.00 0.00 H new ATOM 0 HA ASP A 66 3.657 -8.540 5.835 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.536 -5.990 6.016 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.507 -6.018 4.597 1.00 0.00 H new ATOM 900 N ASP A 67 3.024 -8.387 2.665 1.00 0.00 N ATOM 901 CA ASP A 67 2.309 -8.991 1.551 1.00 0.00 C ATOM 902 C ASP A 67 2.251 -10.511 1.693 1.00 0.00 C ATOM 903 O ASP A 67 1.419 -11.169 1.069 1.00 0.00 O ATOM 904 CB ASP A 67 2.988 -8.603 0.234 1.00 0.00 C ATOM 905 CG ASP A 67 2.534 -9.445 -0.945 1.00 0.00 C ATOM 906 OD1 ASP A 67 1.375 -9.905 -0.935 1.00 0.00 O ATOM 907 OD2 ASP A 67 3.340 -9.642 -1.879 1.00 0.00 O ATOM 0 H ASP A 67 3.818 -7.811 2.386 1.00 0.00 H new ATOM 0 HA ASP A 67 1.285 -8.618 1.552 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.783 -7.554 0.023 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.068 -8.700 0.347 1.00 0.00 H new ATOM 912 N ARG A 68 3.132 -11.067 2.521 1.00 0.00 N ATOM 913 CA ARG A 68 3.166 -12.509 2.741 1.00 0.00 C ATOM 914 C ARG A 68 1.762 -13.048 2.978 1.00 0.00 C ATOM 915 O ARG A 68 1.469 -14.203 2.667 1.00 0.00 O ATOM 916 CB ARG A 68 4.075 -12.847 3.924 1.00 0.00 C ATOM 917 CG ARG A 68 5.552 -12.598 3.656 1.00 0.00 C ATOM 918 CD ARG A 68 5.994 -13.196 2.329 1.00 0.00 C ATOM 919 NE ARG A 68 7.439 -13.094 2.139 1.00 0.00 N ATOM 920 CZ ARG A 68 8.038 -13.164 0.952 1.00 0.00 C ATOM 921 NH1 ARG A 68 7.323 -13.341 -0.152 1.00 0.00 N ATOM 922 NH2 ARG A 68 9.357 -13.058 0.869 1.00 0.00 N ATOM 0 H ARG A 68 3.829 -10.542 3.049 1.00 0.00 H new ATOM 0 HA ARG A 68 3.570 -12.984 1.847 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.767 -12.256 4.787 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.935 -13.895 4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.745 -11.525 3.654 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.145 -13.027 4.464 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.695 -14.243 2.286 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.484 -12.685 1.513 1.00 0.00 H new ATOM 0 HE ARG A 68 8.023 -12.961 2.964 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.308 -13.424 -0.094 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.788 -13.394 -1.058 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.912 -12.923 1.714 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.817 -13.112 -0.040 1.00 0.00 H new ATOM 936 N VAL A 69 0.894 -12.194 3.512 1.00 0.00 N ATOM 937 CA VAL A 69 -0.490 -12.559 3.773 1.00 0.00 C ATOM 938 C VAL A 69 -1.082 -13.348 2.618 1.00 0.00 C ATOM 939 O VAL A 69 -1.566 -14.466 2.790 1.00 0.00 O ATOM 940 CB VAL A 69 -1.374 -11.315 3.980 1.00 0.00 C ATOM 941 CG1 VAL A 69 -1.569 -11.047 5.463 1.00 0.00 C ATOM 942 CG2 VAL A 69 -0.804 -10.090 3.270 1.00 0.00 C ATOM 0 H VAL A 69 1.130 -11.237 3.774 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.476 -13.165 4.679 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.347 -11.518 3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.196 -10.165 5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.051 -11.907 5.928 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.600 -10.877 5.932 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.457 -9.234 3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.190 -9.872 3.661 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.737 -10.288 2.200 1.00 0.00 H new ATOM 946 N THR A 70 -1.047 -12.739 1.445 1.00 0.00 N ATOM 947 CA THR A 70 -1.585 -13.354 0.249 1.00 0.00 C ATOM 948 C THR A 70 -0.935 -12.754 -0.991 1.00 0.00 C ATOM 949 O THR A 70 -0.058 -13.364 -1.602 1.00 0.00 O ATOM 950 CB THR A 70 -3.100 -13.177 0.197 1.00 0.00 C ATOM 951 OG1 THR A 70 -3.722 -13.875 1.260 1.00 0.00 O ATOM 952 CG2 THR A 70 -3.723 -13.660 -1.094 1.00 0.00 C ATOM 0 H THR A 70 -0.648 -11.812 1.298 1.00 0.00 H new ATOM 0 HA THR A 70 -1.363 -14.421 0.275 1.00 0.00 H new ATOM 0 HB THR A 70 -3.264 -12.102 0.276 1.00 0.00 H new ATOM 0 HG1 THR A 70 -3.036 -14.281 1.830 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.801 -13.503 -1.059 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.302 -13.104 -1.932 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.515 -14.722 -1.223 1.00 0.00 H new ATOM 957 N TRP A 71 -1.356 -11.544 -1.348 1.00 0.00 N ATOM 958 CA TRP A 71 -0.795 -10.856 -2.505 1.00 0.00 C ATOM 959 C TRP A 71 -0.798 -9.357 -2.296 1.00 0.00 C ATOM 960 O TRP A 71 -1.620 -8.822 -1.557 1.00 0.00 O ATOM 961 CB TRP A 71 -1.556 -11.205 -3.786 1.00 0.00 C ATOM 962 CG TRP A 71 -2.882 -10.517 -3.894 1.00 0.00 C ATOM 963 CD1 TRP A 71 -4.078 -11.006 -3.475 1.00 0.00 C ATOM 964 CD2 TRP A 71 -3.147 -9.220 -4.446 1.00 0.00 C ATOM 965 NE1 TRP A 71 -5.077 -10.101 -3.734 1.00 0.00 N ATOM 966 CE2 TRP A 71 -4.532 -8.996 -4.330 1.00 0.00 C ATOM 967 CE3 TRP A 71 -2.353 -8.226 -5.029 1.00 0.00 C ATOM 968 CZ2 TRP A 71 -5.140 -7.823 -4.772 1.00 0.00 C ATOM 969 CZ3 TRP A 71 -2.959 -7.061 -5.467 1.00 0.00 C ATOM 970 CH2 TRP A 71 -4.339 -6.869 -5.335 1.00 0.00 C ATOM 0 H TRP A 71 -2.080 -11.022 -0.855 1.00 0.00 H new ATOM 0 HA TRP A 71 0.235 -11.195 -2.615 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.945 -10.938 -4.648 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.710 -12.283 -3.827 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -4.222 -11.968 -3.006 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.065 -10.231 -3.517 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.287 -8.365 -5.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -6.205 -7.673 -4.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.356 -6.287 -5.918 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -4.780 -5.948 -5.685 1.00 0.00 H new ATOM 981 N ALA A 72 0.139 -8.693 -2.949 1.00 0.00 N ATOM 982 CA ALA A 72 0.272 -7.253 -2.845 1.00 0.00 C ATOM 983 C ALA A 72 0.846 -6.665 -4.128 1.00 0.00 C ATOM 984 O ALA A 72 1.960 -7.005 -4.529 1.00 0.00 O ATOM 985 CB ALA A 72 1.148 -6.909 -1.654 1.00 0.00 C ATOM 0 H ALA A 72 0.824 -9.134 -3.562 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.716 -6.817 -2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.248 -5.826 -1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.693 -7.298 -0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.134 -7.356 -1.786 1.00 0.00 H new ATOM 991 N GLU A 73 0.085 -5.786 -4.771 1.00 0.00 N ATOM 992 CA GLU A 73 0.534 -5.163 -6.010 1.00 0.00 C ATOM 993 C GLU A 73 0.093 -3.708 -6.091 1.00 0.00 C ATOM 994 O GLU A 73 -1.071 -3.385 -5.856 1.00 0.00 O ATOM 995 CB GLU A 73 0.002 -5.936 -7.218 1.00 0.00 C ATOM 996 CG GLU A 73 0.677 -5.556 -8.526 1.00 0.00 C ATOM 997 CD GLU A 73 1.914 -6.387 -8.807 1.00 0.00 C ATOM 998 OE1 GLU A 73 1.855 -7.621 -8.620 1.00 0.00 O ATOM 999 OE2 GLU A 73 2.941 -5.804 -9.213 1.00 0.00 O ATOM 0 H GLU A 73 -0.839 -5.491 -4.457 1.00 0.00 H new ATOM 0 HA GLU A 73 1.624 -5.189 -6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.138 -7.004 -7.045 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.070 -5.762 -7.308 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.032 -5.678 -9.345 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.951 -4.502 -8.496 1.00 0.00 H new ATOM 1006 N GLN A 74 1.033 -2.833 -6.434 1.00 0.00 N ATOM 1007 CA GLN A 74 0.746 -1.410 -6.558 1.00 0.00 C ATOM 1008 C GLN A 74 0.312 -1.078 -7.980 1.00 0.00 C ATOM 1009 O GLN A 74 0.920 -1.538 -8.947 1.00 0.00 O ATOM 1010 CB GLN A 74 1.978 -0.584 -6.184 1.00 0.00 C ATOM 1011 CG GLN A 74 2.688 -1.078 -4.934 1.00 0.00 C ATOM 1012 CD GLN A 74 4.054 -0.447 -4.751 1.00 0.00 C ATOM 1013 OE1 GLN A 74 4.317 0.647 -5.251 1.00 0.00 O ATOM 1014 NE2 GLN A 74 4.933 -1.134 -4.031 1.00 0.00 N ATOM 0 H GLN A 74 2.001 -3.086 -6.631 1.00 0.00 H new ATOM 0 HA GLN A 74 -0.066 -1.162 -5.874 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.679 -0.596 -7.018 1.00 0.00 H new ATOM 0 HB3 GLN A 74 1.678 0.453 -6.035 1.00 0.00 H new ATOM 0 HG2 GLN A 74 2.072 -0.861 -4.061 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.796 -2.161 -4.987 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.673 -2.037 -3.635 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.868 -0.758 -3.874 1.00 0.00 H new ATOM 1021 N GLN A 75 -0.742 -0.279 -8.107 1.00 0.00 N ATOM 1022 CA GLN A 75 -1.249 0.106 -9.417 1.00 0.00 C ATOM 1023 C GLN A 75 -1.381 1.618 -9.522 1.00 0.00 C ATOM 1024 O GLN A 75 -1.936 2.263 -8.635 1.00 0.00 O ATOM 1025 CB GLN A 75 -2.602 -0.557 -9.680 1.00 0.00 C ATOM 1026 CG GLN A 75 -2.499 -2.035 -10.021 1.00 0.00 C ATOM 1027 CD GLN A 75 -3.851 -2.721 -10.052 1.00 0.00 C ATOM 1028 OE1 GLN A 75 -4.820 -2.183 -10.587 1.00 0.00 O ATOM 1029 NE2 GLN A 75 -3.921 -3.916 -9.477 1.00 0.00 N ATOM 0 H GLN A 75 -1.260 0.113 -7.321 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.537 -0.232 -10.170 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.233 -0.439 -8.799 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -3.099 -0.037 -10.499 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -2.016 -2.147 -10.992 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.861 -2.530 -9.288 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.092 -4.324 -9.045 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -4.804 -4.426 -9.467 1.00 0.00 H new ATOM 1036 N TYR A 76 -0.863 2.174 -10.614 1.00 0.00 N ATOM 1037 CA TYR A 76 -0.914 3.611 -10.844 1.00 0.00 C ATOM 1038 C TYR A 76 -2.094 3.979 -11.738 1.00 0.00 C ATOM 1039 O TYR A 76 -2.868 4.874 -11.408 1.00 99.99 O ATOM 1040 CB TYR A 76 0.389 4.090 -11.479 1.00 0.00 C ATOM 1041 CG TYR A 76 1.626 3.515 -10.825 1.00 0.00 C ATOM 1042 CD1 TYR A 76 1.737 3.443 -9.442 1.00 0.00 C ATOM 1043 CD2 TYR A 76 2.682 3.049 -11.594 1.00 0.00 C ATOM 1044 CE1 TYR A 76 2.869 2.921 -8.843 1.00 0.00 C ATOM 1045 CE2 TYR A 76 3.817 2.529 -11.003 1.00 0.00 C ATOM 1046 CZ TYR A 76 3.906 2.467 -9.629 1.00 0.00 C ATOM 1047 OH TYR A 76 5.036 1.948 -9.039 1.00 0.00 O ATOM 0 H TYR A 76 -0.402 1.647 -11.355 1.00 0.00 H new ATOM 0 HA TYR A 76 -1.045 4.104 -9.881 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.389 3.823 -12.536 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.432 5.178 -11.425 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.926 3.800 -8.825 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.616 3.093 -12.671 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.940 2.869 -7.767 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.632 2.172 -11.615 1.00 0.00 H new ATOM 0 HH TYR A 76 5.670 1.673 -9.733 1.00 0.00 H new TER 1057 TYR A 76