USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 600 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 44 LYS NZ :NH3+ -173:sc= 0.659 (180deg=0) USER MOD Set 1.2: A 59 GLN : amide:sc= -0.0942 K(o=0.56,f=-18!) USER MOD Single : A 12 THR OG1 : rot -73:sc= -0.576! USER MOD Single : A 13 GLN : amide:sc= -0.632 K(o=-0.63,f=-0.11) USER MOD Single : A 14 ASN : amide:sc= -2.09 K(o=-2.1,f=-0.77) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -4.88! C(o=-4.9!,f=-2.8!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot -170:sc= -0.455 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 30:sc= -7.41! USER MOD Single : A 42 MET CE :methyl 151:sc= -0.154 (180deg=-0.869) USER MOD Single : A 43 LYS NZ :NH3+ 145:sc= -0.231 (180deg=-1.45!) USER MOD Single : A 45 THR OG1 : rot -125:sc= -0.0929! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 27:sc= -0.201 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.163 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -113:sc= -8.41! (180deg=-14.3!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -154:sc= -0.142 (180deg=-1.35!) USER MOD Single : A 88 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 10 N GLU A 2 -9.498 8.523 -4.572 1.00 0.00 N ATOM 11 CA GLU A 2 -8.430 9.288 -5.288 1.00 0.00 C ATOM 12 C GLU A 2 -7.068 8.632 -5.057 1.00 0.00 C ATOM 13 O GLU A 2 -6.968 7.431 -4.898 1.00 0.00 O ATOM 14 CB GLU A 2 -8.450 10.700 -4.684 1.00 0.00 C ATOM 15 CG GLU A 2 -9.890 11.119 -4.374 1.00 0.00 C ATOM 16 CD GLU A 2 -10.135 12.535 -4.896 1.00 0.00 C ATOM 17 OE1 GLU A 2 -9.868 12.771 -6.063 1.00 0.00 O ATOM 18 OE2 GLU A 2 -10.586 13.362 -4.120 1.00 0.00 O ATOM 0 HA GLU A 2 -8.602 9.310 -6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.852 10.723 -3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.999 11.408 -5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -10.590 10.423 -4.837 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -10.067 11.081 -3.299 1.00 0.00 H new ATOM 25 N TRP A 3 -6.016 9.406 -5.033 1.00 0.00 N ATOM 26 CA TRP A 3 -4.668 8.811 -4.810 1.00 0.00 C ATOM 27 C TRP A 3 -3.793 9.747 -3.974 1.00 0.00 C ATOM 28 O TRP A 3 -4.132 10.889 -3.737 1.00 0.00 O ATOM 29 CB TRP A 3 -4.076 8.621 -6.208 1.00 0.00 C ATOM 30 CG TRP A 3 -3.695 9.951 -6.775 1.00 0.00 C ATOM 31 CD1 TRP A 3 -4.563 10.940 -7.089 1.00 0.00 C ATOM 32 CD2 TRP A 3 -2.367 10.453 -7.102 1.00 0.00 C ATOM 33 NE1 TRP A 3 -3.853 12.018 -7.587 1.00 0.00 N ATOM 34 CE2 TRP A 3 -2.495 11.766 -7.616 1.00 0.00 C ATOM 35 CE3 TRP A 3 -1.077 9.902 -7.004 1.00 0.00 C ATOM 36 CZ2 TRP A 3 -1.382 12.506 -8.017 1.00 0.00 C ATOM 37 CZ3 TRP A 3 0.046 10.644 -7.407 1.00 0.00 C ATOM 38 CH2 TRP A 3 -0.107 11.944 -7.913 1.00 0.00 C ATOM 0 H TRP A 3 -6.032 10.418 -5.157 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.726 7.871 -4.262 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -3.202 7.971 -6.159 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -4.801 8.131 -6.858 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -5.636 10.895 -6.970 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -4.280 12.892 -7.895 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.949 8.902 -6.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -1.505 13.506 -8.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.032 10.212 -7.327 1.00 0.00 H new ATOM 0 HH2 TRP A 3 0.760 12.509 -8.222 1.00 0.00 H new ATOM 49 N GLU A 4 -2.666 9.264 -3.521 1.00 0.00 N ATOM 50 CA GLU A 4 -1.767 10.115 -2.693 1.00 0.00 C ATOM 51 C GLU A 4 -0.549 9.301 -2.231 1.00 0.00 C ATOM 52 O GLU A 4 -0.678 8.311 -1.539 1.00 0.00 O ATOM 53 CB GLU A 4 -2.637 10.538 -1.502 1.00 0.00 C ATOM 54 CG GLU A 4 -1.761 10.834 -0.282 1.00 0.00 C ATOM 55 CD GLU A 4 -0.876 12.048 -0.570 1.00 0.00 C ATOM 56 OE1 GLU A 4 -1.250 12.840 -1.420 1.00 0.00 O ATOM 57 OE2 GLU A 4 0.161 12.165 0.063 1.00 0.00 O ATOM 0 H GLU A 4 -2.331 8.316 -3.690 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.374 10.975 -3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.218 11.422 -1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.349 9.747 -1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.386 11.026 0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.143 9.968 -0.047 1.00 0.00 H new ATOM 64 N ILE A 5 0.631 9.714 -2.608 1.00 0.00 N ATOM 65 CA ILE A 5 1.854 8.977 -2.197 1.00 0.00 C ATOM 66 C ILE A 5 2.099 9.152 -0.695 1.00 0.00 C ATOM 67 O ILE A 5 1.284 9.706 0.015 1.00 0.00 O ATOM 68 CB ILE A 5 2.972 9.626 -3.009 1.00 0.00 C ATOM 69 CG1 ILE A 5 3.292 11.007 -2.431 1.00 0.00 C ATOM 70 CG2 ILE A 5 2.532 9.774 -4.466 1.00 0.00 C ATOM 71 CD1 ILE A 5 4.278 11.730 -3.351 1.00 0.00 C ATOM 0 H ILE A 5 0.798 10.537 -3.187 1.00 0.00 H new ATOM 0 HA ILE A 5 1.782 7.904 -2.375 1.00 0.00 H new ATOM 0 HB ILE A 5 3.861 8.997 -2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.377 11.591 -2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.717 10.905 -1.433 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.332 10.238 -5.043 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.309 8.791 -4.880 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.641 10.399 -4.515 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.506 12.713 -2.939 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.196 11.148 -3.429 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.835 11.845 -4.340 1.00 0.00 H new ATOM 83 N ILE A 6 3.216 8.684 -0.202 1.00 0.00 N ATOM 84 CA ILE A 6 3.501 8.828 1.258 1.00 0.00 C ATOM 85 C ILE A 6 4.911 9.389 1.466 1.00 0.00 C ATOM 86 O ILE A 6 5.333 10.286 0.763 1.00 0.00 O ATOM 87 CB ILE A 6 3.389 7.420 1.860 1.00 0.00 C ATOM 88 CG1 ILE A 6 2.456 6.545 1.007 1.00 0.00 C ATOM 89 CG2 ILE A 6 2.822 7.535 3.275 1.00 0.00 C ATOM 90 CD1 ILE A 6 1.032 7.103 1.062 1.00 0.00 C ATOM 0 H ILE A 6 3.940 8.211 -0.743 1.00 0.00 H new ATOM 0 HA ILE A 6 2.803 9.516 1.735 1.00 0.00 H new ATOM 0 HB ILE A 6 4.376 6.958 1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.807 6.520 -0.024 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.469 5.518 1.373 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.737 6.541 3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.487 8.146 3.885 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.837 8.000 3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.374 6.480 0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.682 7.105 2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.025 8.122 0.675 1.00 0.00 H new ATOM 102 N ASP A 7 5.649 8.884 2.425 1.00 0.00 N ATOM 103 CA ASP A 7 7.014 9.419 2.651 1.00 0.00 C ATOM 104 C ASP A 7 7.966 8.292 3.018 1.00 0.00 C ATOM 105 O ASP A 7 7.832 7.168 2.579 1.00 0.00 O ATOM 106 CB ASP A 7 6.860 10.394 3.820 1.00 0.00 C ATOM 107 CG ASP A 7 5.681 11.332 3.549 1.00 0.00 C ATOM 108 OD1 ASP A 7 5.740 12.060 2.573 1.00 0.00 O ATOM 109 OD2 ASP A 7 4.739 11.305 4.325 1.00 0.00 O ATOM 0 H ASP A 7 5.363 8.132 3.052 1.00 0.00 H new ATOM 0 HA ASP A 7 7.424 9.902 1.764 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.696 9.844 4.747 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.776 10.971 3.949 1.00 0.00 H new ATOM 114 N ILE A 8 8.911 8.596 3.838 1.00 0.00 N ATOM 115 CA ILE A 8 9.886 7.577 4.284 1.00 0.00 C ATOM 116 C ILE A 8 9.673 7.348 5.770 1.00 0.00 C ATOM 117 O ILE A 8 10.600 7.330 6.554 1.00 0.00 O ATOM 118 CB ILE A 8 11.262 8.187 4.019 1.00 0.00 C ATOM 119 CG1 ILE A 8 12.344 7.162 4.363 1.00 0.00 C ATOM 120 CG2 ILE A 8 11.445 9.431 4.889 1.00 0.00 C ATOM 121 CD1 ILE A 8 13.696 7.648 3.840 1.00 0.00 C ATOM 0 H ILE A 8 9.056 9.527 4.229 1.00 0.00 H new ATOM 0 HA ILE A 8 9.783 6.621 3.770 1.00 0.00 H new ATOM 0 HB ILE A 8 11.342 8.465 2.968 1.00 0.00 H new ATOM 0 HG12 ILE A 8 12.391 7.016 5.442 1.00 0.00 H new ATOM 0 HG13 ILE A 8 12.098 6.196 3.922 1.00 0.00 H new ATOM 0 HG21 ILE A 8 12.426 9.866 4.700 1.00 0.00 H new ATOM 0 HG22 ILE A 8 10.672 10.161 4.648 1.00 0.00 H new ATOM 0 HG23 ILE A 8 11.367 9.154 5.940 1.00 0.00 H new ATOM 0 HD11 ILE A 8 14.466 6.916 4.086 1.00 0.00 H new ATOM 0 HD12 ILE A 8 13.645 7.771 2.758 1.00 0.00 H new ATOM 0 HD13 ILE A 8 13.943 8.604 4.302 1.00 0.00 H new ATOM 133 N GLY A 9 8.441 7.179 6.162 1.00 0.00 N ATOM 134 CA GLY A 9 8.158 6.955 7.611 1.00 0.00 C ATOM 135 C GLY A 9 6.812 6.243 7.826 1.00 0.00 C ATOM 136 O GLY A 9 6.767 5.173 8.407 1.00 0.00 O ATOM 0 H GLY A 9 7.624 7.186 5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.959 6.360 8.050 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.150 7.912 8.132 1.00 0.00 H new ATOM 140 N PRO A 10 5.754 6.872 7.390 1.00 0.00 N ATOM 141 CA PRO A 10 4.393 6.305 7.586 1.00 0.00 C ATOM 142 C PRO A 10 4.189 4.991 6.824 1.00 0.00 C ATOM 143 O PRO A 10 4.043 3.943 7.424 1.00 0.00 O ATOM 144 CB PRO A 10 3.467 7.405 7.072 1.00 0.00 C ATOM 145 CG PRO A 10 4.308 8.198 6.129 1.00 0.00 C ATOM 146 CD PRO A 10 5.713 8.147 6.669 1.00 0.00 C ATOM 0 HA PRO A 10 4.204 6.042 8.627 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.596 6.986 6.569 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.096 8.024 7.889 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.263 7.781 5.123 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.954 9.227 6.064 1.00 0.00 H new ATOM 0 HD2 PRO A 10 6.452 8.180 5.869 1.00 0.00 H new ATOM 0 HD3 PRO A 10 5.920 8.989 7.330 1.00 0.00 H new ATOM 154 N PHE A 11 4.151 5.018 5.521 1.00 0.00 N ATOM 155 CA PHE A 11 3.926 3.742 4.786 1.00 0.00 C ATOM 156 C PHE A 11 5.099 2.785 4.997 1.00 0.00 C ATOM 157 O PHE A 11 4.950 1.584 4.903 1.00 0.00 O ATOM 158 CB PHE A 11 3.757 4.116 3.318 1.00 0.00 C ATOM 159 CG PHE A 11 2.328 3.826 2.923 1.00 0.00 C ATOM 160 CD1 PHE A 11 1.314 4.734 3.254 1.00 0.00 C ATOM 161 CD2 PHE A 11 2.013 2.644 2.243 1.00 0.00 C ATOM 162 CE1 PHE A 11 -0.013 4.460 2.902 1.00 0.00 C ATOM 163 CE2 PHE A 11 0.686 2.373 1.891 1.00 0.00 C ATOM 164 CZ PHE A 11 -0.327 3.280 2.221 1.00 0.00 C ATOM 0 H PHE A 11 4.263 5.850 4.942 1.00 0.00 H new ATOM 0 HA PHE A 11 3.041 3.220 5.150 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.988 5.170 3.164 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.447 3.545 2.697 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.556 5.645 3.781 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.793 1.942 1.990 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.795 5.161 3.157 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.443 1.462 1.364 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.351 3.069 1.950 1.00 0.00 H new ATOM 174 N THR A 12 6.256 3.294 5.324 1.00 0.00 N ATOM 175 CA THR A 12 7.399 2.386 5.587 1.00 0.00 C ATOM 176 C THR A 12 6.903 1.314 6.536 1.00 0.00 C ATOM 177 O THR A 12 7.008 0.125 6.295 1.00 0.00 O ATOM 178 CB THR A 12 8.452 3.236 6.301 1.00 0.00 C ATOM 179 OG1 THR A 12 8.081 3.404 7.665 1.00 0.00 O ATOM 180 CG2 THR A 12 8.589 4.606 5.643 1.00 0.00 C ATOM 0 H THR A 12 6.454 4.290 5.419 1.00 0.00 H new ATOM 0 HA THR A 12 7.804 1.932 4.683 1.00 0.00 H new ATOM 0 HB THR A 12 9.411 2.722 6.234 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.328 4.029 7.725 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.344 5.189 6.170 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.888 4.482 4.602 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.633 5.127 5.686 1.00 0.00 H new ATOM 188 N GLN A 13 6.343 1.760 7.618 1.00 0.00 N ATOM 189 CA GLN A 13 5.796 0.816 8.632 1.00 0.00 C ATOM 190 C GLN A 13 4.638 0.015 8.033 1.00 0.00 C ATOM 191 O GLN A 13 4.393 -1.119 8.400 1.00 0.00 O ATOM 192 CB GLN A 13 5.307 1.698 9.781 1.00 0.00 C ATOM 193 CG GLN A 13 5.609 1.014 11.115 1.00 0.00 C ATOM 194 CD GLN A 13 6.955 1.508 11.651 1.00 0.00 C ATOM 195 OE1 GLN A 13 7.792 0.720 12.044 1.00 0.00 O ATOM 196 NE2 GLN A 13 7.200 2.789 11.685 1.00 0.00 N ATOM 0 H GLN A 13 6.238 2.748 7.849 1.00 0.00 H new ATOM 0 HA GLN A 13 6.541 0.095 8.969 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.797 2.671 9.740 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.236 1.876 9.686 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.818 1.230 11.833 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.633 -0.068 10.984 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.498 3.451 11.355 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.094 3.128 12.041 1.00 0.00 H new ATOM 205 N ASN A 14 3.934 0.593 7.105 1.00 0.00 N ATOM 206 CA ASN A 14 2.795 -0.134 6.466 1.00 0.00 C ATOM 207 C ASN A 14 3.326 -1.318 5.673 1.00 0.00 C ATOM 208 O ASN A 14 2.980 -2.454 5.923 1.00 0.00 O ATOM 209 CB ASN A 14 2.124 0.879 5.537 1.00 0.00 C ATOM 210 CG ASN A 14 1.238 1.820 6.356 1.00 0.00 C ATOM 211 OD1 ASN A 14 0.069 1.976 6.065 1.00 0.00 O ATOM 212 ND2 ASN A 14 1.746 2.458 7.375 1.00 0.00 N ATOM 0 H ASN A 14 4.094 1.538 6.758 1.00 0.00 H new ATOM 0 HA ASN A 14 2.090 -0.522 7.201 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.880 1.451 5.000 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.526 0.360 4.788 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.162 3.087 7.926 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.727 2.328 7.620 1.00 0.00 H new ATOM 219 N LEU A 15 4.174 -1.054 4.728 1.00 0.00 N ATOM 220 CA LEU A 15 4.756 -2.157 3.917 1.00 0.00 C ATOM 221 C LEU A 15 5.091 -3.334 4.832 1.00 0.00 C ATOM 222 O LEU A 15 4.485 -4.384 4.760 1.00 0.00 O ATOM 223 CB LEU A 15 6.033 -1.568 3.311 1.00 0.00 C ATOM 224 CG LEU A 15 6.973 -2.700 2.892 1.00 0.00 C ATOM 225 CD1 LEU A 15 6.252 -3.624 1.912 1.00 0.00 C ATOM 226 CD2 LEU A 15 8.218 -2.113 2.223 1.00 0.00 C ATOM 0 H LEU A 15 4.493 -0.118 4.478 1.00 0.00 H new ATOM 0 HA LEU A 15 4.076 -2.523 3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.786 -0.949 2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.527 -0.921 4.036 1.00 0.00 H new ATOM 0 HG LEU A 15 7.272 -3.268 3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.921 -4.431 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.368 -4.045 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.951 -3.057 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.886 -2.921 1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.923 -1.543 1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.733 -1.456 2.925 1.00 0.00 H new ATOM 238 N GLY A 16 6.046 -3.157 5.702 1.00 0.00 N ATOM 239 CA GLY A 16 6.417 -4.258 6.634 1.00 0.00 C ATOM 240 C GLY A 16 5.145 -4.908 7.181 1.00 0.00 C ATOM 241 O GLY A 16 5.123 -6.079 7.503 1.00 0.00 O ATOM 0 H GLY A 16 6.585 -2.298 5.808 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.024 -5.000 6.115 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.021 -3.868 7.453 1.00 0.00 H new ATOM 245 N LYS A 17 4.081 -4.155 7.286 1.00 0.00 N ATOM 246 CA LYS A 17 2.808 -4.729 7.809 1.00 0.00 C ATOM 247 C LYS A 17 1.983 -5.322 6.669 1.00 0.00 C ATOM 248 O LYS A 17 2.003 -6.510 6.420 1.00 0.00 O ATOM 249 CB LYS A 17 2.074 -3.551 8.451 1.00 0.00 C ATOM 250 CG LYS A 17 2.853 -3.071 9.678 1.00 0.00 C ATOM 251 CD LYS A 17 2.789 -4.138 10.772 1.00 0.00 C ATOM 252 CE LYS A 17 3.218 -3.525 12.107 1.00 0.00 C ATOM 253 NZ LYS A 17 3.082 -4.627 13.100 1.00 0.00 N ATOM 0 H LYS A 17 4.040 -3.168 7.032 1.00 0.00 H new ATOM 0 HA LYS A 17 2.983 -5.535 8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.970 -2.738 7.732 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.067 -3.851 8.741 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.890 -2.873 9.409 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.434 -2.134 10.044 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.777 -4.534 10.850 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.440 -4.975 10.518 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.244 -3.159 12.062 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.588 -2.676 12.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.359 -4.282 14.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.094 -4.950 13.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.698 -5.419 12.826 1.00 0.00 H new ATOM 267 N PHE A 18 1.254 -4.499 5.982 1.00 0.00 N ATOM 268 CA PHE A 18 0.413 -5.002 4.852 1.00 0.00 C ATOM 269 C PHE A 18 1.181 -6.037 4.034 1.00 0.00 C ATOM 270 O PHE A 18 0.605 -6.919 3.431 1.00 0.00 O ATOM 271 CB PHE A 18 0.097 -3.768 4.007 1.00 0.00 C ATOM 272 CG PHE A 18 -1.322 -3.323 4.274 1.00 0.00 C ATOM 273 CD1 PHE A 18 -2.388 -4.194 4.022 1.00 0.00 C ATOM 274 CD2 PHE A 18 -1.570 -2.038 4.774 1.00 0.00 C ATOM 275 CE1 PHE A 18 -3.703 -3.782 4.268 1.00 0.00 C ATOM 276 CE2 PHE A 18 -2.886 -1.627 5.021 1.00 0.00 C ATOM 277 CZ PHE A 18 -3.952 -2.499 4.768 1.00 0.00 C ATOM 0 H PHE A 18 1.199 -3.494 6.149 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.494 -5.494 5.204 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.792 -2.963 4.245 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.225 -3.997 2.949 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.196 -5.185 3.637 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.748 -1.365 4.969 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.525 -4.454 4.072 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.079 -0.637 5.407 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.966 -2.181 4.959 1.00 0.00 H new ATOM 287 N ALA A 19 2.472 -5.943 4.022 1.00 0.00 N ATOM 288 CA ALA A 19 3.283 -6.929 3.256 1.00 0.00 C ATOM 289 C ALA A 19 3.447 -8.205 4.083 1.00 0.00 C ATOM 290 O ALA A 19 2.874 -9.228 3.776 1.00 0.00 O ATOM 291 CB ALA A 19 4.635 -6.255 3.026 1.00 0.00 C ATOM 0 H ALA A 19 3.008 -5.225 4.510 1.00 0.00 H new ATOM 0 HA ALA A 19 2.816 -7.210 2.312 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.286 -6.926 2.466 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.491 -5.334 2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.094 -6.023 3.987 1.00 0.00 H new ATOM 297 N VAL A 20 4.214 -8.148 5.138 1.00 0.00 N ATOM 298 CA VAL A 20 4.403 -9.360 5.987 1.00 0.00 C ATOM 299 C VAL A 20 3.069 -10.095 6.171 1.00 0.00 C ATOM 300 O VAL A 20 3.038 -11.282 6.410 1.00 0.00 O ATOM 301 CB VAL A 20 4.931 -8.839 7.327 1.00 0.00 C ATOM 302 CG1 VAL A 20 3.786 -8.244 8.148 1.00 0.00 C ATOM 303 CG2 VAL A 20 5.565 -9.995 8.106 1.00 0.00 C ATOM 0 H VAL A 20 4.717 -7.317 5.449 1.00 0.00 H new ATOM 0 HA VAL A 20 5.093 -10.073 5.536 1.00 0.00 H new ATOM 0 HB VAL A 20 5.676 -8.065 7.140 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.173 -7.877 9.099 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.334 -7.419 7.597 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.035 -9.011 8.334 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.942 -9.627 9.060 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.817 -10.767 8.285 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.389 -10.415 7.528 1.00 0.00 H new ATOM 313 N ASP A 21 1.968 -9.400 6.061 1.00 0.00 N ATOM 314 CA ASP A 21 0.647 -10.075 6.229 1.00 0.00 C ATOM 315 C ASP A 21 0.106 -10.537 4.877 1.00 0.00 C ATOM 316 O ASP A 21 0.090 -11.715 4.584 1.00 0.00 O ATOM 317 CB ASP A 21 -0.269 -9.017 6.846 1.00 0.00 C ATOM 318 CG ASP A 21 -1.627 -9.643 7.172 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.746 -10.850 7.041 1.00 0.00 O ATOM 320 OD2 ASP A 21 -2.523 -8.905 7.544 1.00 0.00 O ATOM 0 H ASP A 21 1.925 -8.400 5.863 1.00 0.00 H new ATOM 0 HA ASP A 21 0.719 -10.964 6.856 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.183 -8.613 7.751 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.397 -8.184 6.155 1.00 0.00 H new ATOM 325 N GLU A 22 -0.342 -9.634 4.044 1.00 0.00 N ATOM 326 CA GLU A 22 -0.874 -10.083 2.726 1.00 0.00 C ATOM 327 C GLU A 22 0.206 -10.858 1.980 1.00 0.00 C ATOM 328 O GLU A 22 -0.086 -11.752 1.216 1.00 0.00 O ATOM 329 CB GLU A 22 -1.294 -8.814 1.970 1.00 0.00 C ATOM 330 CG GLU A 22 -2.643 -8.319 2.503 1.00 0.00 C ATOM 331 CD GLU A 22 -2.582 -8.188 4.026 1.00 0.00 C ATOM 332 OE1 GLU A 22 -2.152 -7.147 4.493 1.00 0.00 O ATOM 333 OE2 GLU A 22 -2.967 -9.131 4.698 1.00 0.00 O ATOM 0 H GLU A 22 -0.363 -8.628 4.214 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.729 -10.751 2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.537 -8.039 2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.368 -9.022 0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.890 -7.356 2.056 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.433 -9.014 2.220 1.00 0.00 H new ATOM 340 N GLU A 23 1.448 -10.550 2.222 1.00 0.00 N ATOM 341 CA GLU A 23 2.541 -11.308 1.547 1.00 0.00 C ATOM 342 C GLU A 23 2.615 -12.697 2.168 1.00 0.00 C ATOM 343 O GLU A 23 2.429 -13.695 1.499 1.00 0.00 O ATOM 344 CB GLU A 23 3.823 -10.517 1.811 1.00 0.00 C ATOM 345 CG GLU A 23 4.906 -10.948 0.819 1.00 0.00 C ATOM 346 CD GLU A 23 6.152 -11.395 1.586 1.00 0.00 C ATOM 347 OE1 GLU A 23 6.024 -11.697 2.760 1.00 0.00 O ATOM 348 OE2 GLU A 23 7.213 -11.425 0.984 1.00 0.00 O ATOM 0 H GLU A 23 1.755 -9.811 2.854 1.00 0.00 H new ATOM 0 HA GLU A 23 2.381 -11.426 0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.630 -9.449 1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.163 -10.687 2.833 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.539 -11.762 0.195 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.153 -10.122 0.152 1.00 0.00 H new ATOM 355 N ASN A 24 2.841 -12.780 3.453 1.00 0.00 N ATOM 356 CA ASN A 24 2.869 -14.121 4.089 1.00 0.00 C ATOM 357 C ASN A 24 1.560 -14.810 3.733 1.00 0.00 C ATOM 358 O ASN A 24 1.539 -15.908 3.216 1.00 0.00 O ATOM 359 CB ASN A 24 2.959 -13.874 5.595 1.00 0.00 C ATOM 360 CG ASN A 24 4.374 -13.420 5.974 1.00 0.00 C ATOM 361 OD1 ASN A 24 4.738 -13.446 7.133 1.00 0.00 O ATOM 362 ND2 ASN A 24 5.195 -13.002 5.047 1.00 0.00 N ATOM 0 H ASN A 24 3.004 -11.990 4.077 1.00 0.00 H new ATOM 0 HA ASN A 24 3.702 -14.743 3.761 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.234 -13.115 5.890 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.704 -14.785 6.136 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.136 -12.700 5.298 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.894 -12.978 4.073 1.00 0.00 H new ATOM 369 N LYS A 25 0.458 -14.146 3.974 1.00 0.00 N ATOM 370 CA LYS A 25 -0.849 -14.748 3.608 1.00 0.00 C ATOM 371 C LYS A 25 -0.784 -15.194 2.152 1.00 0.00 C ATOM 372 O LYS A 25 -1.125 -16.309 1.809 1.00 0.00 O ATOM 373 CB LYS A 25 -1.877 -13.631 3.792 1.00 0.00 C ATOM 374 CG LYS A 25 -3.276 -14.239 3.904 1.00 0.00 C ATOM 375 CD LYS A 25 -4.328 -13.145 3.709 1.00 0.00 C ATOM 376 CE LYS A 25 -5.715 -13.783 3.603 1.00 0.00 C ATOM 377 NZ LYS A 25 -6.670 -12.644 3.690 1.00 0.00 N ATOM 0 H LYS A 25 0.411 -13.222 4.404 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.107 -15.616 4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.647 -13.054 4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.835 -12.941 2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.405 -15.020 3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.402 -14.709 4.879 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.301 -12.446 4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.110 -12.572 2.808 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.830 -14.324 2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.882 -14.500 4.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.644 -13.002 3.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.542 -12.152 4.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.492 -11.981 2.909 1.00 0.00 H new ATOM 391 N ILE A 26 -0.325 -14.327 1.300 1.00 0.00 N ATOM 392 CA ILE A 26 -0.204 -14.689 -0.145 1.00 0.00 C ATOM 393 C ILE A 26 0.611 -15.979 -0.277 1.00 0.00 C ATOM 394 O ILE A 26 0.551 -16.669 -1.275 1.00 0.00 O ATOM 395 CB ILE A 26 0.515 -13.490 -0.811 1.00 0.00 C ATOM 396 CG1 ILE A 26 -0.507 -12.612 -1.544 1.00 0.00 C ATOM 397 CG2 ILE A 26 1.566 -13.967 -1.822 1.00 0.00 C ATOM 398 CD1 ILE A 26 -1.420 -13.484 -2.410 1.00 0.00 C ATOM 0 H ILE A 26 -0.027 -13.381 1.537 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.168 -14.872 -0.619 1.00 0.00 H new ATOM 0 HB ILE A 26 1.011 -12.920 -0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.102 -12.052 -0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.009 -11.881 -2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.055 -13.104 -2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.310 -14.579 -1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.081 -14.558 -2.599 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.143 -12.853 -2.927 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.820 -14.024 -3.143 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.948 -14.198 -1.778 1.00 0.00 H new ATOM 410 N GLY A 27 1.374 -16.299 0.726 1.00 0.00 N ATOM 411 CA GLY A 27 2.201 -17.537 0.670 1.00 0.00 C ATOM 412 C GLY A 27 3.679 -17.150 0.594 1.00 0.00 C ATOM 413 O GLY A 27 4.509 -17.912 0.140 1.00 0.00 O ATOM 0 H GLY A 27 1.463 -15.757 1.585 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.018 -18.151 1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.924 -18.135 -0.198 1.00 0.00 H new ATOM 417 N GLN A 28 4.010 -15.970 1.038 1.00 0.00 N ATOM 418 CA GLN A 28 5.430 -15.526 0.999 1.00 0.00 C ATOM 419 C GLN A 28 5.906 -15.199 2.415 1.00 0.00 C ATOM 420 O GLN A 28 6.215 -14.067 2.735 1.00 0.00 O ATOM 421 CB GLN A 28 5.433 -14.271 0.126 1.00 0.00 C ATOM 422 CG GLN A 28 6.774 -14.157 -0.601 1.00 0.00 C ATOM 423 CD GLN A 28 6.632 -14.692 -2.027 1.00 0.00 C ATOM 424 OE1 GLN A 28 6.105 -14.020 -2.891 1.00 0.00 O ATOM 425 NE2 GLN A 28 7.083 -15.883 -2.312 1.00 0.00 N ATOM 0 H GLN A 28 3.355 -15.292 1.428 1.00 0.00 H new ATOM 0 HA GLN A 28 6.097 -16.292 0.603 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.618 -14.316 -0.597 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.265 -13.387 0.741 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.100 -13.117 -0.623 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.539 -14.720 -0.065 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.526 -16.448 -1.587 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.993 -16.249 -3.260 1.00 0.00 H new ATOM 486 N LEU A 32 11.024 -11.178 6.172 1.00 0.00 N ATOM 487 CA LEU A 32 10.455 -9.812 6.357 1.00 0.00 C ATOM 488 C LEU A 32 10.078 -9.207 5.006 1.00 0.00 C ATOM 489 O LEU A 32 10.169 -9.848 3.979 1.00 0.00 O ATOM 490 CB LEU A 32 11.575 -9.003 7.012 1.00 0.00 C ATOM 491 CG LEU A 32 12.192 -9.814 8.151 1.00 0.00 C ATOM 492 CD1 LEU A 32 13.460 -10.508 7.654 1.00 0.00 C ATOM 493 CD2 LEU A 32 12.542 -8.878 9.309 1.00 0.00 C ATOM 0 HA LEU A 32 9.549 -9.822 6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.338 -8.754 6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.182 -8.061 7.394 1.00 0.00 H new ATOM 0 HG LEU A 32 11.479 -10.564 8.492 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.900 -11.086 8.466 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.210 -11.174 6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 32 14.175 -9.759 7.313 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.982 -9.455 10.123 1.00 0.00 H new ATOM 0 HD22 LEU A 32 13.256 -8.128 8.968 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.638 -8.383 9.663 1.00 0.00 H new ATOM 505 N THR A 33 9.651 -7.974 5.000 1.00 0.00 N ATOM 506 CA THR A 33 9.264 -7.328 3.716 1.00 0.00 C ATOM 507 C THR A 33 9.392 -5.808 3.833 1.00 0.00 C ATOM 508 O THR A 33 8.488 -5.070 3.492 1.00 0.00 O ATOM 509 CB THR A 33 7.803 -7.730 3.495 1.00 0.00 C ATOM 510 OG1 THR A 33 7.420 -8.692 4.469 1.00 0.00 O ATOM 511 CG2 THR A 33 7.643 -8.328 2.097 1.00 0.00 C ATOM 0 H THR A 33 9.554 -7.387 5.829 1.00 0.00 H new ATOM 0 HA THR A 33 9.901 -7.638 2.887 1.00 0.00 H new ATOM 0 HB THR A 33 7.168 -6.849 3.588 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.544 -9.064 4.234 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.603 -8.614 1.940 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.933 -7.589 1.350 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.279 -9.208 2.003 1.00 0.00 H new ATOM 519 N PHE A 34 10.509 -5.339 4.311 1.00 0.00 N ATOM 520 CA PHE A 34 10.708 -3.866 4.454 1.00 0.00 C ATOM 521 C PHE A 34 12.090 -3.574 5.043 1.00 0.00 C ATOM 522 O PHE A 34 12.219 -2.909 6.051 1.00 0.00 O ATOM 523 CB PHE A 34 9.611 -3.406 5.416 1.00 0.00 C ATOM 524 CG PHE A 34 9.745 -4.145 6.727 1.00 0.00 C ATOM 525 CD1 PHE A 34 9.180 -5.417 6.875 1.00 0.00 C ATOM 526 CD2 PHE A 34 10.434 -3.557 7.794 1.00 0.00 C ATOM 527 CE1 PHE A 34 9.304 -6.101 8.090 1.00 0.00 C ATOM 528 CE2 PHE A 34 10.558 -4.241 9.010 1.00 0.00 C ATOM 529 CZ PHE A 34 9.992 -5.513 9.157 1.00 0.00 C ATOM 0 H PHE A 34 11.297 -5.912 4.611 1.00 0.00 H new ATOM 0 HA PHE A 34 10.653 -3.349 3.496 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.687 -2.332 5.583 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.629 -3.592 4.980 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.648 -5.871 6.052 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.870 -2.576 7.680 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.869 -7.083 8.204 1.00 0.00 H new ATOM 0 HE2 PHE A 34 11.090 -3.788 9.833 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.086 -6.041 10.095 1.00 0.00 H new ATOM 539 N ASN A 35 13.126 -4.070 4.422 1.00 0.00 N ATOM 540 CA ASN A 35 14.498 -3.821 4.951 1.00 0.00 C ATOM 541 C ASN A 35 15.041 -2.488 4.425 1.00 0.00 C ATOM 542 O ASN A 35 15.458 -1.637 5.185 1.00 0.00 O ATOM 543 CB ASN A 35 15.339 -4.988 4.431 1.00 0.00 C ATOM 544 CG ASN A 35 16.816 -4.729 4.732 1.00 0.00 C ATOM 545 OD1 ASN A 35 17.583 -4.410 3.844 1.00 0.00 O ATOM 546 ND2 ASN A 35 17.252 -4.855 5.955 1.00 0.00 N ATOM 0 H ASN A 35 13.082 -4.635 3.574 1.00 0.00 H new ATOM 0 HA ASN A 35 14.515 -3.758 6.039 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.019 -5.918 4.901 1.00 0.00 H new ATOM 0 HB3 ASN A 35 15.191 -5.106 3.358 1.00 0.00 H new ATOM 0 HD21 ASN A 35 18.236 -4.686 6.166 1.00 0.00 H new ATOM 0 HD22 ASN A 35 16.609 -5.123 6.701 1.00 0.00 H new ATOM 553 N LYS A 36 15.050 -2.299 3.132 1.00 0.00 N ATOM 554 CA LYS A 36 15.581 -1.019 2.574 1.00 0.00 C ATOM 555 C LYS A 36 14.644 0.156 2.904 1.00 0.00 C ATOM 556 O LYS A 36 14.612 0.622 4.025 1.00 0.00 O ATOM 557 CB LYS A 36 15.683 -1.251 1.066 1.00 0.00 C ATOM 558 CG LYS A 36 17.033 -1.897 0.749 1.00 0.00 C ATOM 559 CD LYS A 36 17.928 -0.886 0.028 1.00 0.00 C ATOM 560 CE LYS A 36 18.716 -0.077 1.060 1.00 0.00 C ATOM 561 NZ LYS A 36 18.103 1.280 1.034 1.00 0.00 N ATOM 0 H LYS A 36 14.715 -2.970 2.441 1.00 0.00 H new ATOM 0 HA LYS A 36 16.548 -0.755 3.003 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.870 -1.894 0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 36 15.584 -0.306 0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.513 -2.232 1.669 1.00 0.00 H new ATOM 0 HG3 LYS A 36 16.888 -2.779 0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 36 18.613 -1.404 -0.644 1.00 0.00 H new ATOM 0 HD3 LYS A 36 17.322 -0.220 -0.586 1.00 0.00 H new ATOM 0 HE2 LYS A 36 18.643 -0.524 2.051 1.00 0.00 H new ATOM 0 HE3 LYS A 36 19.775 -0.037 0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.591 1.894 1.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 18.193 1.683 0.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.097 1.211 1.287 1.00 0.00 H new ATOM 575 N VAL A 37 13.896 0.661 1.950 1.00 0.00 N ATOM 576 CA VAL A 37 13.003 1.822 2.259 1.00 0.00 C ATOM 577 C VAL A 37 11.891 1.981 1.210 1.00 0.00 C ATOM 578 O VAL A 37 11.879 1.321 0.191 1.00 0.00 O ATOM 579 CB VAL A 37 13.946 3.030 2.227 1.00 0.00 C ATOM 580 CG1 VAL A 37 13.158 4.315 1.955 1.00 0.00 C ATOM 581 CG2 VAL A 37 14.658 3.147 3.572 1.00 0.00 C ATOM 0 H VAL A 37 13.865 0.326 0.987 1.00 0.00 H new ATOM 0 HA VAL A 37 12.491 1.700 3.213 1.00 0.00 H new ATOM 0 HB VAL A 37 14.676 2.890 1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.842 5.164 1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.652 4.235 0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.419 4.462 2.743 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.330 4.005 3.554 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.921 3.280 4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.232 2.240 3.760 1.00 0.00 H new ATOM 591 N ILE A 38 10.963 2.876 1.461 1.00 0.00 N ATOM 592 CA ILE A 38 9.852 3.112 0.492 1.00 0.00 C ATOM 593 C ILE A 38 9.847 4.575 0.038 1.00 0.00 C ATOM 594 O ILE A 38 9.318 5.442 0.704 1.00 0.00 O ATOM 595 CB ILE A 38 8.561 2.790 1.257 1.00 0.00 C ATOM 596 CG1 ILE A 38 8.376 3.772 2.412 1.00 0.00 C ATOM 597 CG2 ILE A 38 8.632 1.372 1.823 1.00 0.00 C ATOM 598 CD1 ILE A 38 7.147 4.646 2.148 1.00 0.00 C ATOM 0 H ILE A 38 10.931 3.454 2.301 1.00 0.00 H new ATOM 0 HA ILE A 38 9.957 2.496 -0.401 1.00 0.00 H new ATOM 0 HB ILE A 38 7.720 2.872 0.568 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.254 3.229 3.349 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.263 4.396 2.518 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.713 1.150 2.365 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.753 0.660 1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.481 1.293 2.502 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.015 5.347 2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.287 5.200 1.220 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.263 4.014 2.064 1.00 0.00 H new ATOM 610 N ARG A 39 10.423 4.861 -1.098 1.00 0.00 N ATOM 611 CA ARG A 39 10.431 6.271 -1.580 1.00 0.00 C ATOM 612 C ARG A 39 9.271 6.494 -2.558 1.00 0.00 C ATOM 613 O ARG A 39 8.455 7.370 -2.348 1.00 0.00 O ATOM 614 CB ARG A 39 11.782 6.463 -2.269 1.00 0.00 C ATOM 615 CG ARG A 39 12.529 7.624 -1.610 1.00 0.00 C ATOM 616 CD ARG A 39 12.766 8.730 -2.641 1.00 0.00 C ATOM 617 NE ARG A 39 14.218 8.648 -2.963 1.00 0.00 N ATOM 618 CZ ARG A 39 14.601 8.348 -4.174 1.00 0.00 C ATOM 619 NH1 ARG A 39 14.262 9.115 -5.173 1.00 0.00 N ATOM 620 NH2 ARG A 39 15.323 7.283 -4.384 1.00 0.00 N ATOM 0 H ARG A 39 10.884 4.186 -1.708 1.00 0.00 H new ATOM 0 HA ARG A 39 10.302 6.987 -0.769 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.372 5.549 -2.197 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.636 6.666 -3.330 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.952 8.012 -0.771 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.481 7.277 -1.208 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.155 8.579 -3.531 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.505 9.709 -2.238 1.00 0.00 H new ATOM 0 HE ARG A 39 14.912 8.826 -2.238 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.698 9.949 -5.007 1.00 0.00 H new ATOM 0 HH12 ARG A 39 14.561 8.881 -6.120 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.588 6.684 -3.602 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.622 7.048 -5.330 1.00 0.00 H new ATOM 634 N PRO A 40 9.220 5.689 -3.591 1.00 0.00 N ATOM 635 CA PRO A 40 8.136 5.810 -4.583 1.00 0.00 C ATOM 636 C PRO A 40 6.916 4.991 -4.143 1.00 0.00 C ATOM 637 O PRO A 40 6.408 4.157 -4.870 1.00 0.00 O ATOM 638 CB PRO A 40 8.760 5.248 -5.856 1.00 0.00 C ATOM 639 CG PRO A 40 9.861 4.330 -5.403 1.00 0.00 C ATOM 640 CD PRO A 40 10.146 4.609 -3.942 1.00 0.00 C ATOM 0 HA PRO A 40 7.774 6.830 -4.712 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.021 4.709 -6.449 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.152 6.047 -6.485 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.567 3.289 -5.540 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.758 4.490 -6.001 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.976 3.725 -3.328 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.183 4.909 -3.789 1.00 0.00 H new ATOM 648 N CYS A 41 6.439 5.229 -2.953 1.00 0.00 N ATOM 649 CA CYS A 41 5.251 4.478 -2.459 1.00 0.00 C ATOM 650 C CYS A 41 3.969 5.242 -2.809 1.00 0.00 C ATOM 651 O CYS A 41 3.528 6.104 -2.073 1.00 0.00 O ATOM 652 CB CYS A 41 5.435 4.398 -0.944 1.00 0.00 C ATOM 653 SG CYS A 41 3.886 3.871 -0.170 1.00 0.00 S ATOM 0 H CYS A 41 6.821 5.913 -2.300 1.00 0.00 H new ATOM 0 HA CYS A 41 5.166 3.489 -2.908 1.00 0.00 H new ATOM 0 HB2 CYS A 41 6.232 3.695 -0.701 1.00 0.00 H new ATOM 0 HB3 CYS A 41 5.737 5.370 -0.553 1.00 0.00 H new ATOM 0 HG CYS A 41 3.227 3.109 -0.992 1.00 0.00 H new ATOM 659 N MET A 42 3.371 4.934 -3.929 1.00 0.00 N ATOM 660 CA MET A 42 2.120 5.643 -4.329 1.00 0.00 C ATOM 661 C MET A 42 0.895 4.894 -3.795 1.00 0.00 C ATOM 662 O MET A 42 0.731 3.712 -4.021 1.00 0.00 O ATOM 663 CB MET A 42 2.131 5.630 -5.858 1.00 0.00 C ATOM 664 CG MET A 42 2.365 7.048 -6.380 1.00 0.00 C ATOM 665 SD MET A 42 4.104 7.243 -6.839 1.00 0.00 S ATOM 666 CE MET A 42 4.072 6.188 -8.309 1.00 0.00 C ATOM 0 H MET A 42 3.694 4.222 -4.584 1.00 0.00 H new ATOM 0 HA MET A 42 2.072 6.656 -3.930 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.914 4.964 -6.221 1.00 0.00 H new ATOM 0 HB3 MET A 42 1.184 5.244 -6.236 1.00 0.00 H new ATOM 0 HG2 MET A 42 1.727 7.239 -7.243 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.096 7.777 -5.616 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.820 6.535 -9.022 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.292 5.159 -8.023 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.085 6.234 -8.768 1.00 0.00 H new ATOM 676 N LYS A 43 0.034 5.570 -3.085 1.00 0.00 N ATOM 677 CA LYS A 43 -1.175 4.888 -2.538 1.00 0.00 C ATOM 678 C LYS A 43 -2.447 5.599 -3.003 1.00 0.00 C ATOM 679 O LYS A 43 -2.431 6.770 -3.325 1.00 0.00 O ATOM 680 CB LYS A 43 -1.031 4.990 -1.020 1.00 0.00 C ATOM 681 CG LYS A 43 -2.360 4.625 -0.355 1.00 0.00 C ATOM 682 CD LYS A 43 -3.188 5.893 -0.138 1.00 0.00 C ATOM 683 CE LYS A 43 -4.211 5.651 0.976 1.00 0.00 C ATOM 684 NZ LYS A 43 -3.398 5.498 2.216 1.00 0.00 N ATOM 0 H LYS A 43 0.114 6.562 -2.860 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.251 3.854 -2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.243 4.321 -0.673 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.737 6.001 -0.739 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.910 3.921 -0.980 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.178 4.130 0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.536 6.725 0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.698 6.169 -1.061 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.908 6.485 1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.805 4.758 0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.913 5.907 3.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.223 4.488 2.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.490 5.992 2.099 1.00 0.00 H new ATOM 698 N LYS A 44 -3.551 4.901 -3.037 1.00 0.00 N ATOM 699 CA LYS A 44 -4.820 5.547 -3.479 1.00 0.00 C ATOM 700 C LYS A 44 -6.027 4.689 -3.085 1.00 0.00 C ATOM 701 O LYS A 44 -5.888 3.585 -2.598 1.00 0.00 O ATOM 702 CB LYS A 44 -4.706 5.651 -5.003 1.00 0.00 C ATOM 703 CG LYS A 44 -4.162 4.341 -5.573 1.00 0.00 C ATOM 704 CD LYS A 44 -4.627 4.182 -7.023 1.00 0.00 C ATOM 705 CE LYS A 44 -3.794 5.090 -7.930 1.00 0.00 C ATOM 706 NZ LYS A 44 -2.734 4.206 -8.489 1.00 0.00 N ATOM 0 H LYS A 44 -3.629 3.917 -2.779 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.965 6.522 -3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.682 5.869 -5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.047 6.477 -5.272 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.073 4.337 -5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.510 3.499 -4.974 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.524 3.143 -7.337 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.683 4.437 -7.107 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.404 5.524 -8.722 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.362 5.919 -7.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.052 4.779 -9.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.242 3.720 -7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.167 3.501 -9.119 1.00 0.00 H new ATOM 720 N THR A 45 -7.213 5.194 -3.293 1.00 0.00 N ATOM 721 CA THR A 45 -8.437 4.420 -2.938 1.00 0.00 C ATOM 722 C THR A 45 -9.626 4.940 -3.745 1.00 0.00 C ATOM 723 O THR A 45 -9.630 6.063 -4.206 1.00 0.00 O ATOM 724 CB THR A 45 -8.652 4.677 -1.442 1.00 0.00 C ATOM 725 OG1 THR A 45 -7.642 4.005 -0.704 1.00 0.00 O ATOM 726 CG2 THR A 45 -10.029 4.157 -1.005 1.00 0.00 C ATOM 0 H THR A 45 -7.387 6.115 -3.696 1.00 0.00 H new ATOM 0 HA THR A 45 -8.336 3.357 -3.155 1.00 0.00 H new ATOM 0 HB THR A 45 -8.602 5.750 -1.254 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.059 3.417 -0.040 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.168 4.346 0.059 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.808 4.670 -1.570 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.090 3.085 -1.194 1.00 0.00 H new ATOM 734 N ILE A 46 -10.639 4.142 -3.902 1.00 0.00 N ATOM 735 CA ILE A 46 -11.834 4.597 -4.653 1.00 0.00 C ATOM 736 C ILE A 46 -13.025 4.561 -3.712 1.00 0.00 C ATOM 737 O ILE A 46 -14.064 4.017 -4.010 1.00 0.00 O ATOM 738 CB ILE A 46 -11.992 3.590 -5.777 1.00 0.00 C ATOM 739 CG1 ILE A 46 -12.301 2.212 -5.184 1.00 0.00 C ATOM 740 CG2 ILE A 46 -10.687 3.529 -6.565 1.00 0.00 C ATOM 741 CD1 ILE A 46 -13.153 1.414 -6.169 1.00 0.00 C ATOM 0 H ILE A 46 -10.691 3.190 -3.541 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.750 5.610 -5.046 1.00 0.00 H new ATOM 0 HB ILE A 46 -12.808 3.887 -6.436 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -11.374 1.679 -4.973 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -12.828 2.322 -4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -10.786 2.809 -7.377 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.465 4.513 -6.978 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.877 3.222 -5.904 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -13.373 0.433 -5.748 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -14.086 1.946 -6.357 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.609 1.293 -7.106 1.00 0.00 H new ATOM 898 N GLY A 55 -13.786 1.172 -1.954 1.00 0.00 N ATOM 899 CA GLY A 55 -12.670 0.214 -1.702 1.00 0.00 C ATOM 900 C GLY A 55 -11.316 0.911 -1.778 1.00 0.00 C ATOM 901 O GLY A 55 -11.211 2.067 -2.135 1.00 0.00 O ATOM 0 HA2 GLY A 55 -12.793 -0.241 -0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.708 -0.593 -2.434 1.00 0.00 H new ATOM 905 N TYR A 56 -10.276 0.198 -1.439 1.00 0.00 N ATOM 906 CA TYR A 56 -8.913 0.787 -1.479 1.00 0.00 C ATOM 907 C TYR A 56 -8.054 0.070 -2.522 1.00 0.00 C ATOM 908 O TYR A 56 -8.496 -0.839 -3.195 1.00 0.00 O ATOM 909 CB TYR A 56 -8.343 0.560 -0.078 1.00 0.00 C ATOM 910 CG TYR A 56 -8.817 1.653 0.848 1.00 0.00 C ATOM 911 CD1 TYR A 56 -10.182 1.789 1.130 1.00 0.00 C ATOM 912 CD2 TYR A 56 -7.892 2.530 1.426 1.00 0.00 C ATOM 913 CE1 TYR A 56 -10.620 2.801 1.992 1.00 0.00 C ATOM 914 CE2 TYR A 56 -8.330 3.543 2.287 1.00 0.00 C ATOM 915 CZ TYR A 56 -9.694 3.678 2.570 1.00 0.00 C ATOM 916 OH TYR A 56 -10.125 4.675 3.421 1.00 0.00 O ATOM 0 H TYR A 56 -10.316 -0.775 -1.134 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.930 1.842 -1.751 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -8.659 -0.412 0.300 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -7.254 0.549 -0.116 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -10.896 1.114 0.683 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -6.840 2.425 1.208 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -11.672 2.905 2.211 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -7.616 4.220 2.733 1.00 0.00 H new ATOM 0 HH TYR A 56 -9.355 5.193 3.735 1.00 0.00 H new ATOM 926 N GLU A 57 -6.827 0.480 -2.647 1.00 0.00 N ATOM 927 CA GLU A 57 -5.902 -0.147 -3.632 1.00 0.00 C ATOM 928 C GLU A 57 -4.629 0.691 -3.684 1.00 0.00 C ATOM 929 O GLU A 57 -4.689 1.904 -3.659 1.00 0.00 O ATOM 930 CB GLU A 57 -6.634 -0.096 -4.973 1.00 0.00 C ATOM 931 CG GLU A 57 -7.235 1.296 -5.175 1.00 0.00 C ATOM 932 CD GLU A 57 -8.146 1.287 -6.404 1.00 0.00 C ATOM 933 OE1 GLU A 57 -8.963 0.386 -6.505 1.00 0.00 O ATOM 934 OE2 GLU A 57 -8.010 2.180 -7.225 1.00 0.00 O ATOM 0 H GLU A 57 -6.416 1.236 -2.100 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.631 -1.172 -3.377 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.944 -0.327 -5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.420 -0.850 -4.999 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.802 1.590 -4.292 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.441 2.031 -5.304 1.00 0.00 H new ATOM 941 N TYR A 58 -3.474 0.091 -3.726 1.00 0.00 N ATOM 942 CA TYR A 58 -2.250 0.952 -3.743 1.00 0.00 C ATOM 943 C TYR A 58 -1.059 0.323 -4.462 1.00 0.00 C ATOM 944 O TYR A 58 -1.045 -0.844 -4.806 1.00 0.00 O ATOM 945 CB TYR A 58 -1.933 1.199 -2.255 1.00 0.00 C ATOM 946 CG TYR A 58 -0.801 0.313 -1.742 1.00 0.00 C ATOM 947 CD1 TYR A 58 -0.705 -1.036 -2.123 1.00 0.00 C ATOM 948 CD2 TYR A 58 0.135 0.843 -0.845 1.00 0.00 C ATOM 949 CE1 TYR A 58 0.314 -1.839 -1.603 1.00 0.00 C ATOM 950 CE2 TYR A 58 1.155 0.039 -0.335 1.00 0.00 C ATOM 951 CZ TYR A 58 1.243 -1.303 -0.711 1.00 0.00 C ATOM 952 OH TYR A 58 2.248 -2.099 -0.199 1.00 0.00 O ATOM 0 H TYR A 58 -3.320 -0.917 -3.749 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.436 1.868 -4.303 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.663 2.246 -2.114 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.829 1.018 -1.661 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.419 -1.453 -2.818 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.067 1.879 -0.547 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.382 -2.877 -1.893 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.877 0.455 0.352 1.00 0.00 H new ATOM 0 HH TYR A 58 2.446 -2.822 -0.830 1.00 0.00 H new ATOM 962 N GLN A 59 -0.041 1.118 -4.635 1.00 0.00 N ATOM 963 CA GLN A 59 1.215 0.655 -5.273 1.00 0.00 C ATOM 964 C GLN A 59 2.369 1.058 -4.353 1.00 0.00 C ATOM 965 O GLN A 59 2.508 2.210 -3.991 1.00 0.00 O ATOM 966 CB GLN A 59 1.290 1.398 -6.607 1.00 0.00 C ATOM 967 CG GLN A 59 0.346 0.735 -7.612 1.00 0.00 C ATOM 968 CD GLN A 59 -0.650 1.770 -8.139 1.00 0.00 C ATOM 969 OE1 GLN A 59 -1.053 2.663 -7.419 1.00 0.00 O ATOM 970 NE2 GLN A 59 -1.066 1.687 -9.373 1.00 0.00 N ATOM 0 H GLN A 59 -0.031 2.098 -4.351 1.00 0.00 H new ATOM 0 HA GLN A 59 1.259 -0.422 -5.434 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.016 2.444 -6.469 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.312 1.384 -6.987 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.917 0.311 -8.438 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.187 -0.089 -7.137 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.727 0.937 -9.976 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.730 2.372 -9.735 1.00 0.00 H new ATOM 979 N LEU A 60 3.183 0.131 -3.951 1.00 0.00 N ATOM 980 CA LEU A 60 4.301 0.482 -3.035 1.00 0.00 C ATOM 981 C LEU A 60 5.630 0.193 -3.710 1.00 0.00 C ATOM 982 O LEU A 60 6.336 -0.729 -3.354 1.00 0.00 O ATOM 983 CB LEU A 60 4.096 -0.410 -1.809 1.00 0.00 C ATOM 984 CG LEU A 60 5.237 -0.207 -0.806 1.00 0.00 C ATOM 985 CD1 LEU A 60 5.054 1.128 -0.081 1.00 0.00 C ATOM 986 CD2 LEU A 60 5.218 -1.339 0.224 1.00 0.00 C ATOM 0 H LEU A 60 3.126 -0.853 -4.214 1.00 0.00 H new ATOM 0 HA LEU A 60 4.312 1.538 -2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.142 -0.177 -1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.053 -1.455 -2.115 1.00 0.00 H new ATOM 0 HG LEU A 60 6.187 -0.207 -1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.867 1.270 0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.063 1.941 -0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.102 1.126 0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.029 -1.195 0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.265 -1.334 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.346 -2.295 -0.284 1.00 0.00 H new ATOM 998 N TYR A 61 5.985 0.987 -4.677 1.00 0.00 N ATOM 999 CA TYR A 61 7.273 0.768 -5.367 1.00 0.00 C ATOM 1000 C TYR A 61 8.394 1.114 -4.390 1.00 0.00 C ATOM 1001 O TYR A 61 8.611 2.259 -4.055 1.00 0.00 O ATOM 1002 CB TYR A 61 7.221 1.714 -6.560 1.00 0.00 C ATOM 1003 CG TYR A 61 8.605 1.912 -7.134 1.00 0.00 C ATOM 1004 CD1 TYR A 61 9.602 0.953 -6.917 1.00 0.00 C ATOM 1005 CD2 TYR A 61 8.890 3.059 -7.887 1.00 0.00 C ATOM 1006 CE1 TYR A 61 10.882 1.140 -7.452 1.00 0.00 C ATOM 1007 CE2 TYR A 61 10.170 3.245 -8.421 1.00 0.00 C ATOM 1008 CZ TYR A 61 11.167 2.287 -8.203 1.00 0.00 C ATOM 1009 OH TYR A 61 12.428 2.471 -8.730 1.00 0.00 O ATOM 0 H TYR A 61 5.436 1.777 -5.016 1.00 0.00 H new ATOM 0 HA TYR A 61 7.449 -0.255 -5.700 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.557 1.310 -7.324 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.806 2.674 -6.253 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.383 0.069 -6.337 1.00 0.00 H new ATOM 0 HD2 TYR A 61 8.122 3.799 -8.055 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.650 0.399 -7.285 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.389 4.129 -9.002 1.00 0.00 H new ATOM 0 HH TYR A 61 12.456 3.317 -9.224 1.00 0.00 H new ATOM 1019 N VAL A 62 9.074 0.120 -3.889 1.00 0.00 N ATOM 1020 CA VAL A 62 10.146 0.375 -2.893 1.00 0.00 C ATOM 1021 C VAL A 62 11.113 -0.796 -2.871 1.00 0.00 C ATOM 1022 O VAL A 62 11.157 -1.603 -3.776 1.00 0.00 O ATOM 1023 CB VAL A 62 9.418 0.438 -1.550 1.00 0.00 C ATOM 1024 CG1 VAL A 62 8.270 1.445 -1.610 1.00 0.00 C ATOM 1025 CG2 VAL A 62 8.851 -0.945 -1.222 1.00 0.00 C ATOM 0 H VAL A 62 8.931 -0.861 -4.129 1.00 0.00 H new ATOM 0 HA VAL A 62 10.710 1.281 -3.116 1.00 0.00 H new ATOM 0 HB VAL A 62 10.124 0.751 -0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.763 1.477 -0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.665 2.433 -1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.562 1.144 -2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.330 -0.907 -0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.153 -1.247 -2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.665 -1.668 -1.164 1.00 0.00 H new ATOM 1035 N TYR A 63 11.863 -0.907 -1.820 1.00 0.00 N ATOM 1036 CA TYR A 63 12.805 -2.050 -1.713 1.00 0.00 C ATOM 1037 C TYR A 63 12.834 -2.553 -0.270 1.00 0.00 C ATOM 1038 O TYR A 63 12.821 -1.781 0.668 1.00 0.00 O ATOM 1039 CB TYR A 63 14.168 -1.502 -2.131 1.00 0.00 C ATOM 1040 CG TYR A 63 15.167 -2.636 -2.237 1.00 0.00 C ATOM 1041 CD1 TYR A 63 14.731 -3.958 -2.421 1.00 0.00 C ATOM 1042 CD2 TYR A 63 16.536 -2.361 -2.151 1.00 0.00 C ATOM 1043 CE1 TYR A 63 15.665 -4.997 -2.517 1.00 0.00 C ATOM 1044 CE2 TYR A 63 17.468 -3.401 -2.248 1.00 0.00 C ATOM 1045 CZ TYR A 63 17.033 -4.718 -2.431 1.00 0.00 C ATOM 1046 OH TYR A 63 17.954 -5.742 -2.527 1.00 0.00 O ATOM 0 H TYR A 63 11.867 -0.260 -1.031 1.00 0.00 H new ATOM 0 HA TYR A 63 12.514 -2.891 -2.342 1.00 0.00 H new ATOM 0 HB2 TYR A 63 14.085 -0.988 -3.088 1.00 0.00 H new ATOM 0 HB3 TYR A 63 14.514 -0.768 -1.403 1.00 0.00 H new ATOM 0 HD1 TYR A 63 13.675 -4.174 -2.489 1.00 0.00 H new ATOM 0 HD2 TYR A 63 16.874 -1.345 -2.010 1.00 0.00 H new ATOM 0 HE1 TYR A 63 15.329 -6.014 -2.657 1.00 0.00 H new ATOM 0 HE2 TYR A 63 18.524 -3.186 -2.181 1.00 0.00 H new ATOM 0 HH TYR A 63 18.860 -5.376 -2.448 1.00 0.00 H new ATOM 1056 N ALA A 64 12.863 -3.841 -0.087 1.00 0.00 N ATOM 1057 CA ALA A 64 12.886 -4.399 1.291 1.00 0.00 C ATOM 1058 C ALA A 64 13.967 -5.481 1.387 1.00 0.00 C ATOM 1059 O ALA A 64 15.143 -5.196 1.277 1.00 0.00 O ATOM 1060 CB ALA A 64 11.488 -4.985 1.487 1.00 0.00 C ATOM 0 H ALA A 64 12.872 -4.534 -0.835 1.00 0.00 H new ATOM 0 HA ALA A 64 13.119 -3.657 2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.413 -5.422 2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 64 10.744 -4.195 1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.309 -5.757 0.738 1.00 0.00 H new ATOM 1066 N SER A 65 13.585 -6.715 1.574 1.00 0.00 N ATOM 1067 CA SER A 65 14.596 -7.806 1.654 1.00 0.00 C ATOM 1068 C SER A 65 14.525 -8.650 0.379 1.00 0.00 C ATOM 1069 O SER A 65 15.509 -9.198 -0.076 1.00 0.00 O ATOM 1070 CB SER A 65 14.192 -8.635 2.874 1.00 0.00 C ATOM 1071 OG SER A 65 15.296 -8.728 3.765 1.00 0.00 O ATOM 0 H SER A 65 12.615 -7.014 1.675 1.00 0.00 H new ATOM 0 HA SER A 65 15.616 -7.434 1.746 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.342 -8.173 3.377 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.876 -9.631 2.563 1.00 0.00 H new ATOM 0 HG SER A 65 15.040 -9.257 4.549 1.00 0.00 H new ATOM 1077 N ASP A 66 13.361 -8.742 -0.201 1.00 0.00 N ATOM 1078 CA ASP A 66 13.200 -9.532 -1.455 1.00 0.00 C ATOM 1079 C ASP A 66 12.197 -8.830 -2.377 1.00 0.00 C ATOM 1080 O ASP A 66 11.728 -9.392 -3.348 1.00 0.00 O ATOM 1081 CB ASP A 66 12.659 -10.890 -1.003 1.00 0.00 C ATOM 1082 CG ASP A 66 13.825 -11.796 -0.602 1.00 0.00 C ATOM 1083 OD1 ASP A 66 14.952 -11.451 -0.914 1.00 0.00 O ATOM 1084 OD2 ASP A 66 13.569 -12.820 0.011 1.00 0.00 O ATOM 0 H ASP A 66 12.508 -8.301 0.142 1.00 0.00 H new ATOM 0 HA ASP A 66 14.133 -9.636 -2.009 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.979 -10.761 -0.161 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.086 -11.351 -1.807 1.00 0.00 H new ATOM 1089 N LYS A 67 11.868 -7.604 -2.073 1.00 0.00 N ATOM 1090 CA LYS A 67 10.897 -6.847 -2.916 1.00 0.00 C ATOM 1091 C LYS A 67 11.614 -5.713 -3.651 1.00 0.00 C ATOM 1092 O LYS A 67 11.675 -4.593 -3.186 1.00 0.00 O ATOM 1093 CB LYS A 67 9.877 -6.295 -1.925 1.00 0.00 C ATOM 1094 CG LYS A 67 9.156 -5.081 -2.520 1.00 0.00 C ATOM 1095 CD LYS A 67 9.522 -3.834 -1.715 1.00 0.00 C ATOM 1096 CE LYS A 67 8.570 -3.710 -0.523 1.00 0.00 C ATOM 1097 NZ LYS A 67 7.230 -3.448 -1.122 1.00 0.00 N ATOM 0 H LYS A 67 12.233 -7.090 -1.271 1.00 0.00 H new ATOM 0 HA LYS A 67 10.428 -7.467 -3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.152 -7.068 -1.671 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.377 -6.011 -0.999 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.440 -4.950 -3.564 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.078 -5.238 -2.500 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.553 -3.900 -1.367 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.454 -2.947 -2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.564 -4.622 0.073 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.871 -2.899 0.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.922 -2.485 -0.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.288 -3.540 -2.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.544 -4.136 -0.751 1.00 0.00 H new ATOM 1111 N LEU A 68 12.143 -6.003 -4.798 1.00 0.00 N ATOM 1112 CA LEU A 68 12.851 -4.956 -5.589 1.00 0.00 C ATOM 1113 C LEU A 68 11.885 -4.316 -6.578 1.00 0.00 C ATOM 1114 O LEU A 68 12.067 -4.411 -7.775 1.00 0.00 O ATOM 1115 CB LEU A 68 13.948 -5.704 -6.340 1.00 0.00 C ATOM 1116 CG LEU A 68 14.956 -6.262 -5.340 1.00 0.00 C ATOM 1117 CD1 LEU A 68 15.215 -7.737 -5.647 1.00 0.00 C ATOM 1118 CD2 LEU A 68 16.265 -5.476 -5.446 1.00 0.00 C ATOM 0 H LEU A 68 12.118 -6.927 -5.230 1.00 0.00 H new ATOM 0 HA LEU A 68 13.252 -4.161 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 68 13.515 -6.514 -6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.447 -5.034 -7.040 1.00 0.00 H new ATOM 0 HG LEU A 68 14.559 -6.169 -4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 68 15.935 -8.136 -4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 68 14.281 -8.294 -5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 68 15.614 -7.834 -6.657 1.00 0.00 H new ATOM 0 HD21 LEU A 68 16.987 -5.873 -4.732 1.00 0.00 H new ATOM 0 HD22 LEU A 68 16.665 -5.569 -6.456 1.00 0.00 H new ATOM 0 HD23 LEU A 68 16.077 -4.425 -5.226 1.00 0.00 H new ATOM 1130 N PHE A 69 10.861 -3.663 -6.097 1.00 0.00 N ATOM 1131 CA PHE A 69 9.891 -3.023 -7.031 1.00 0.00 C ATOM 1132 C PHE A 69 8.650 -2.542 -6.272 1.00 0.00 C ATOM 1133 O PHE A 69 8.755 -1.705 -5.411 1.00 0.00 O ATOM 1134 CB PHE A 69 9.539 -4.093 -8.069 1.00 0.00 C ATOM 1135 CG PHE A 69 9.448 -5.460 -7.418 1.00 0.00 C ATOM 1136 CD1 PHE A 69 8.845 -5.615 -6.162 1.00 0.00 C ATOM 1137 CD2 PHE A 69 9.975 -6.577 -8.079 1.00 0.00 C ATOM 1138 CE1 PHE A 69 8.770 -6.882 -5.571 1.00 0.00 C ATOM 1139 CE2 PHE A 69 9.900 -7.844 -7.487 1.00 0.00 C ATOM 1140 CZ PHE A 69 9.297 -7.996 -6.233 1.00 0.00 C ATOM 0 H PHE A 69 10.655 -3.546 -5.105 1.00 0.00 H new ATOM 0 HA PHE A 69 10.313 -2.141 -7.512 1.00 0.00 H new ATOM 0 HB2 PHE A 69 8.590 -3.847 -8.545 1.00 0.00 H new ATOM 0 HB3 PHE A 69 10.295 -4.108 -8.854 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.438 -4.756 -5.650 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.440 -6.461 -9.047 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.305 -6.999 -4.603 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.307 -8.704 -7.998 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.239 -8.973 -5.777 1.00 0.00 H new ATOM 1150 N ARG A 70 7.475 -3.036 -6.577 1.00 0.00 N ATOM 1151 CA ARG A 70 6.269 -2.537 -5.851 1.00 0.00 C ATOM 1152 C ARG A 70 5.484 -3.651 -5.177 1.00 0.00 C ATOM 1153 O ARG A 70 5.341 -4.744 -5.689 1.00 0.00 O ATOM 1154 CB ARG A 70 5.390 -1.911 -6.928 1.00 0.00 C ATOM 1155 CG ARG A 70 4.119 -1.312 -6.290 1.00 0.00 C ATOM 1156 CD ARG A 70 3.158 -0.867 -7.396 1.00 0.00 C ATOM 1157 NE ARG A 70 3.167 -1.976 -8.388 1.00 0.00 N ATOM 1158 CZ ARG A 70 2.429 -3.034 -8.193 1.00 0.00 C ATOM 1159 NH1 ARG A 70 2.902 -4.042 -7.510 1.00 0.00 N ATOM 1160 NH2 ARG A 70 1.219 -3.085 -8.677 1.00 0.00 N ATOM 0 H ARG A 70 7.301 -3.750 -7.284 1.00 0.00 H new ATOM 0 HA ARG A 70 6.569 -1.847 -5.063 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.944 -1.133 -7.454 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.116 -2.663 -7.668 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.637 -2.051 -5.649 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.381 -0.464 -5.657 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.156 -0.698 -7.003 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.485 0.069 -7.849 1.00 0.00 H new ATOM 0 HE ARG A 70 3.751 -1.909 -9.222 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.848 -4.001 -7.130 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.326 -4.870 -7.357 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.849 -2.297 -9.209 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.643 -3.913 -8.524 1.00 0.00 H new ATOM 1174 N ALA A 71 4.912 -3.335 -4.056 1.00 0.00 N ATOM 1175 CA ALA A 71 4.053 -4.307 -3.345 1.00 0.00 C ATOM 1176 C ALA A 71 2.624 -3.793 -3.481 1.00 0.00 C ATOM 1177 O ALA A 71 2.265 -2.801 -2.885 1.00 0.00 O ATOM 1178 CB ALA A 71 4.512 -4.276 -1.888 1.00 0.00 C ATOM 0 H ALA A 71 5.006 -2.429 -3.596 1.00 0.00 H new ATOM 0 HA ALA A 71 4.109 -5.325 -3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.915 -4.976 -1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.563 -4.560 -1.831 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.386 -3.270 -1.488 1.00 0.00 H new ATOM 1184 N ASP A 72 1.822 -4.416 -4.292 1.00 0.00 N ATOM 1185 CA ASP A 72 0.436 -3.907 -4.483 1.00 0.00 C ATOM 1186 C ASP A 72 -0.491 -4.443 -3.397 1.00 0.00 C ATOM 1187 O ASP A 72 -0.208 -5.436 -2.767 1.00 0.00 O ATOM 1188 CB ASP A 72 0.009 -4.429 -5.856 1.00 0.00 C ATOM 1189 CG ASP A 72 -1.445 -4.034 -6.123 1.00 0.00 C ATOM 1190 OD1 ASP A 72 -2.319 -4.607 -5.494 1.00 0.00 O ATOM 1191 OD2 ASP A 72 -1.660 -3.165 -6.952 1.00 0.00 O ATOM 0 H ASP A 72 2.061 -5.250 -4.829 1.00 0.00 H new ATOM 0 HA ASP A 72 0.390 -2.820 -4.423 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.657 -4.018 -6.631 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.115 -5.513 -5.894 1.00 0.00 H new ATOM 1196 N ILE A 73 -1.603 -3.793 -3.187 1.00 0.00 N ATOM 1197 CA ILE A 73 -2.567 -4.267 -2.154 1.00 0.00 C ATOM 1198 C ILE A 73 -3.951 -3.672 -2.432 1.00 0.00 C ATOM 1199 O ILE A 73 -4.133 -2.472 -2.453 1.00 0.00 O ATOM 1200 CB ILE A 73 -1.997 -3.800 -0.799 1.00 0.00 C ATOM 1201 CG1 ILE A 73 -2.300 -4.861 0.262 1.00 0.00 C ATOM 1202 CG2 ILE A 73 -2.622 -2.469 -0.361 1.00 0.00 C ATOM 1203 CD1 ILE A 73 -3.808 -4.922 0.509 1.00 0.00 C ATOM 0 H ILE A 73 -1.886 -2.951 -3.688 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.688 -5.350 -2.158 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.922 -3.658 -0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.935 -5.834 -0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.779 -4.622 1.189 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.200 -2.167 0.597 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.410 -1.704 -1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.701 -2.589 -0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.023 -5.678 1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.159 -3.951 0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.318 -5.181 -0.419 1.00 0.00 H new ATOM 1215 N SER A 74 -4.927 -4.502 -2.655 1.00 0.00 N ATOM 1216 CA SER A 74 -6.290 -3.977 -2.937 1.00 0.00 C ATOM 1217 C SER A 74 -7.204 -4.254 -1.738 1.00 0.00 C ATOM 1218 O SER A 74 -6.981 -5.185 -0.990 1.00 0.00 O ATOM 1219 CB SER A 74 -6.758 -4.763 -4.162 1.00 0.00 C ATOM 1220 OG SER A 74 -7.419 -3.884 -5.062 1.00 0.00 O ATOM 0 H SER A 74 -4.842 -5.518 -2.655 1.00 0.00 H new ATOM 0 HA SER A 74 -6.304 -2.901 -3.112 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.906 -5.232 -4.654 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.432 -5.564 -3.858 1.00 0.00 H new ATOM 0 HG SER A 74 -7.718 -4.386 -5.849 1.00 0.00 H new ATOM 1226 N GLU A 75 -8.229 -3.463 -1.533 1.00 0.00 N ATOM 1227 CA GLU A 75 -9.122 -3.728 -0.361 1.00 0.00 C ATOM 1228 C GLU A 75 -10.556 -3.235 -0.601 1.00 0.00 C ATOM 1229 O GLU A 75 -10.842 -2.056 -0.550 1.00 0.00 O ATOM 1230 CB GLU A 75 -8.484 -2.965 0.801 1.00 0.00 C ATOM 1231 CG GLU A 75 -7.940 -3.961 1.827 1.00 0.00 C ATOM 1232 CD GLU A 75 -7.598 -3.222 3.123 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -6.515 -2.664 3.194 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -8.423 -3.226 4.020 1.00 0.00 O ATOM 0 H GLU A 75 -8.483 -2.662 -2.112 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.207 -4.797 -0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.679 -2.328 0.434 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.220 -2.311 1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.679 -4.738 2.023 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.053 -4.457 1.433 1.00 0.00 H new ATOM 1241 N ASP A 76 -11.452 -4.148 -0.857 1.00 0.00 N ATOM 1242 CA ASP A 76 -12.879 -3.787 -1.101 1.00 0.00 C ATOM 1243 C ASP A 76 -13.520 -3.159 0.142 1.00 0.00 C ATOM 1244 O ASP A 76 -12.959 -3.170 1.220 1.00 0.00 O ATOM 1245 CB ASP A 76 -13.555 -5.126 -1.402 1.00 0.00 C ATOM 1246 CG ASP A 76 -13.473 -6.027 -0.169 1.00 0.00 C ATOM 1247 OD1 ASP A 76 -13.926 -5.603 0.882 1.00 0.00 O ATOM 1248 OD2 ASP A 76 -12.959 -7.127 -0.295 1.00 0.00 O ATOM 0 H ASP A 76 -11.252 -5.147 -0.908 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.979 -3.056 -1.904 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.597 -4.965 -1.680 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.070 -5.608 -2.251 1.00 0.00 H new ATOM 1365 N LYS A 83 -9.078 -7.831 -2.218 1.00 0.00 N ATOM 1366 CA LYS A 83 -8.387 -8.197 -0.950 1.00 0.00 C ATOM 1367 C LYS A 83 -7.159 -9.035 -1.297 1.00 0.00 C ATOM 1368 O LYS A 83 -7.195 -10.249 -1.269 1.00 0.00 O ATOM 1369 CB LYS A 83 -9.402 -9.025 -0.160 1.00 0.00 C ATOM 1370 CG LYS A 83 -10.096 -8.135 0.873 1.00 0.00 C ATOM 1371 CD LYS A 83 -10.397 -8.953 2.131 1.00 0.00 C ATOM 1372 CE LYS A 83 -11.382 -8.186 3.014 1.00 0.00 C ATOM 1373 NZ LYS A 83 -10.830 -6.805 3.095 1.00 0.00 N ATOM 0 HA LYS A 83 -8.056 -7.332 -0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.139 -9.457 -0.836 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.901 -9.855 0.338 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.460 -7.285 1.122 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.020 -7.731 0.459 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.816 -9.921 1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.476 -9.148 2.680 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.383 -8.187 2.582 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.461 -8.638 4.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.150 -6.354 3.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.791 -6.845 3.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.163 -6.250 2.281 1.00 0.00 H new ATOM 1387 N LEU A 84 -6.081 -8.397 -1.654 1.00 0.00 N ATOM 1388 CA LEU A 84 -4.865 -9.155 -2.039 1.00 0.00 C ATOM 1389 C LEU A 84 -3.691 -8.194 -2.199 1.00 0.00 C ATOM 1390 O LEU A 84 -3.836 -6.999 -2.049 1.00 0.00 O ATOM 1391 CB LEU A 84 -5.231 -9.782 -3.386 1.00 0.00 C ATOM 1392 CG LEU A 84 -4.201 -10.848 -3.773 1.00 0.00 C ATOM 1393 CD1 LEU A 84 -3.888 -11.733 -2.565 1.00 0.00 C ATOM 1394 CD2 LEU A 84 -4.768 -11.714 -4.901 1.00 0.00 C ATOM 0 H LEU A 84 -5.992 -7.382 -1.695 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.570 -9.900 -1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.223 -10.229 -3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.273 -9.010 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.286 -10.359 -4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.155 -12.489 -2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.485 -11.120 -1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.801 -12.222 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.037 -12.474 -5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.684 -12.198 -4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.987 -11.088 -5.766 1.00 0.00 H new ATOM 1406 N LEU A 85 -2.533 -8.700 -2.512 1.00 0.00 N ATOM 1407 CA LEU A 85 -1.357 -7.807 -2.693 1.00 0.00 C ATOM 1408 C LEU A 85 -0.344 -8.483 -3.631 1.00 0.00 C ATOM 1409 O LEU A 85 -0.464 -9.652 -3.940 1.00 0.00 O ATOM 1410 CB LEU A 85 -0.811 -7.597 -1.268 1.00 0.00 C ATOM 1411 CG LEU A 85 0.458 -8.416 -1.039 1.00 0.00 C ATOM 1412 CD1 LEU A 85 1.056 -8.042 0.318 1.00 0.00 C ATOM 1413 CD2 LEU A 85 0.101 -9.902 -1.059 1.00 0.00 C ATOM 0 H LEU A 85 -2.350 -9.694 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.593 -6.849 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.599 -6.540 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.569 -7.883 -0.539 1.00 0.00 H new ATOM 0 HG LEU A 85 1.187 -8.209 -1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.962 -8.623 0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.299 -6.979 0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.334 -8.257 1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.001 -10.495 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.620 -10.114 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.333 -10.159 -2.025 1.00 0.00 H new ATOM 1425 N ARG A 86 0.640 -7.765 -4.102 1.00 0.00 N ATOM 1426 CA ARG A 86 1.628 -8.395 -5.029 1.00 0.00 C ATOM 1427 C ARG A 86 3.056 -7.934 -4.723 1.00 0.00 C ATOM 1428 O ARG A 86 3.298 -7.182 -3.801 1.00 0.00 O ATOM 1429 CB ARG A 86 1.212 -7.924 -6.424 1.00 0.00 C ATOM 1430 CG ARG A 86 -0.302 -8.060 -6.581 1.00 0.00 C ATOM 1431 CD ARG A 86 -0.679 -7.885 -8.054 1.00 0.00 C ATOM 1432 NE ARG A 86 -1.858 -8.772 -8.259 1.00 0.00 N ATOM 1433 CZ ARG A 86 -1.735 -9.872 -8.950 1.00 0.00 C ATOM 1434 NH1 ARG A 86 -0.972 -9.895 -10.008 1.00 0.00 N ATOM 1435 NH2 ARG A 86 -2.374 -10.949 -8.582 1.00 0.00 N ATOM 0 H ARG A 86 0.803 -6.781 -3.889 1.00 0.00 H new ATOM 0 HA ARG A 86 1.629 -9.481 -4.933 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.511 -6.887 -6.573 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.721 -8.515 -7.185 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.629 -9.037 -6.224 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.810 -7.312 -5.973 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.923 -6.847 -8.278 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.146 -8.167 -8.709 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.762 -8.519 -7.859 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.472 -9.053 -10.295 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.875 -10.755 -10.549 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.970 -10.931 -7.754 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.278 -11.809 -9.122 1.00 0.00 H new ATOM 1449 N PHE A 87 4.001 -8.388 -5.505 1.00 0.00 N ATOM 1450 CA PHE A 87 5.429 -7.999 -5.300 1.00 0.00 C ATOM 1451 C PHE A 87 6.192 -8.154 -6.617 1.00 0.00 C ATOM 1452 O PHE A 87 6.842 -9.157 -6.841 1.00 0.00 O ATOM 1453 CB PHE A 87 5.984 -8.986 -4.268 1.00 0.00 C ATOM 1454 CG PHE A 87 4.988 -9.204 -3.155 1.00 0.00 C ATOM 1455 CD1 PHE A 87 4.913 -8.292 -2.095 1.00 0.00 C ATOM 1456 CD2 PHE A 87 4.147 -10.325 -3.177 1.00 0.00 C ATOM 1457 CE1 PHE A 87 3.996 -8.500 -1.060 1.00 0.00 C ATOM 1458 CE2 PHE A 87 3.232 -10.532 -2.137 1.00 0.00 C ATOM 1459 CZ PHE A 87 3.158 -9.617 -1.081 1.00 0.00 C ATOM 0 H PHE A 87 3.841 -9.021 -6.289 1.00 0.00 H new ATOM 0 HA PHE A 87 5.526 -6.966 -4.967 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.212 -9.936 -4.751 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.919 -8.605 -3.858 1.00 0.00 H new ATOM 0 HD1 PHE A 87 5.562 -7.429 -2.077 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.204 -11.028 -3.995 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.936 -7.796 -0.243 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.585 -11.396 -2.150 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.451 -9.775 -0.280 1.00 0.00 H new ATOM 1469 N ASN A 88 6.134 -7.187 -7.497 1.00 0.00 N ATOM 1470 CA ASN A 88 6.883 -7.341 -8.781 1.00 0.00 C ATOM 1471 C ASN A 88 7.092 -5.999 -9.465 1.00 0.00 C ATOM 1472 O ASN A 88 6.969 -4.957 -8.859 1.00 0.00 O ATOM 1473 CB ASN A 88 6.062 -8.264 -9.679 1.00 0.00 C ATOM 1474 CG ASN A 88 4.581 -8.238 -9.285 1.00 0.00 C ATOM 1475 OD1 ASN A 88 3.963 -7.193 -9.265 1.00 0.00 O ATOM 1476 ND2 ASN A 88 3.982 -9.354 -8.967 1.00 0.00 N ATOM 0 H ASN A 88 5.613 -6.317 -7.387 1.00 0.00 H new ATOM 0 HA ASN A 88 7.871 -7.759 -8.585 1.00 0.00 H new ATOM 0 HB2 ASN A 88 6.171 -7.957 -10.719 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.444 -9.282 -9.606 1.00 0.00 H new ATOM 0 HD21 ASN A 88 2.997 -9.347 -8.703 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.499 -10.233 -8.983 1.00 0.00 H new ATOM 1483 N GLY A 89 7.452 -6.024 -10.719 1.00 0.00 N ATOM 1484 CA GLY A 89 7.734 -4.756 -11.431 1.00 0.00 C ATOM 1485 C GLY A 89 9.147 -4.378 -11.022 1.00 0.00 C ATOM 1486 O GLY A 89 9.388 -3.306 -10.504 1.00 0.00 O ATOM 0 H GLY A 89 7.562 -6.870 -11.277 1.00 0.00 H new ATOM 0 HA2 GLY A 89 7.657 -4.885 -12.511 1.00 0.00 H new ATOM 0 HA3 GLY A 89 7.022 -3.980 -11.151 1.00 0.00 H new ATOM 1490 N PRO A 90 10.027 -5.325 -11.224 1.00 0.00 N ATOM 1491 CA PRO A 90 11.440 -5.167 -10.819 1.00 0.00 C ATOM 1492 C PRO A 90 12.103 -3.979 -11.519 1.00 0.00 C ATOM 1493 O PRO A 90 11.758 -3.620 -12.627 1.00 0.00 O ATOM 1494 CB PRO A 90 12.083 -6.495 -11.219 1.00 0.00 C ATOM 1495 CG PRO A 90 11.186 -7.030 -12.284 1.00 0.00 C ATOM 1496 CD PRO A 90 9.797 -6.619 -11.874 1.00 0.00 C ATOM 0 HA PRO A 90 11.549 -4.954 -9.756 1.00 0.00 H new ATOM 0 HB2 PRO A 90 13.098 -6.350 -11.589 1.00 0.00 H new ATOM 0 HB3 PRO A 90 12.147 -7.178 -10.372 1.00 0.00 H new ATOM 0 HG2 PRO A 90 11.446 -6.620 -13.260 1.00 0.00 H new ATOM 0 HG3 PRO A 90 11.269 -8.114 -12.361 1.00 0.00 H new ATOM 0 HD2 PRO A 90 9.131 -6.529 -12.732 1.00 0.00 H new ATOM 0 HD3 PRO A 90 9.345 -7.340 -11.193 1.00 0.00 H new ATOM 1504 N VAL A 91 13.053 -3.367 -10.866 1.00 0.00 N ATOM 1505 CA VAL A 91 13.750 -2.195 -11.471 1.00 0.00 C ATOM 1506 C VAL A 91 15.223 -2.530 -11.721 1.00 0.00 C ATOM 1507 O VAL A 91 15.911 -1.698 -12.290 1.00 0.00 O ATOM 1508 CB VAL A 91 13.619 -1.078 -10.432 1.00 0.00 C ATOM 1509 CG1 VAL A 91 13.908 -1.635 -9.034 1.00 0.00 C ATOM 1510 CG2 VAL A 91 14.621 0.035 -10.748 1.00 0.00 C ATOM 0 H VAL A 91 13.378 -3.629 -9.935 1.00 0.00 H new ATOM 0 HA VAL A 91 13.323 -1.908 -12.432 1.00 0.00 H new ATOM 0 HB VAL A 91 12.605 -0.679 -10.462 1.00 0.00 H new ATOM 0 HG11 VAL A 91 13.814 -0.837 -8.298 1.00 0.00 H new ATOM 0 HG12 VAL A 91 13.196 -2.427 -8.804 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.920 -2.038 -9.005 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.527 0.830 -10.008 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.633 -0.368 -10.721 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.417 0.437 -11.740 1.00 0.00 H new