USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=13 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 Single : A 12 THR OG1 : rot -89:sc= 0.0889! USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= 0.0128 X(o=0.013,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.13) USER MOD Single : A 24 ASN : amide:sc= -3.54! C(o=-3.5!,f=-8.1!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -4.03! C(o=-4!,f=-12!) USER MOD Single : A 33 THR OG1 : rot -110:sc= -2.79 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 54:sc= -10.6! USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -129:sc= 0.791 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.423 USER MOD Single : A 58 TYR OH : rot 117:sc= -8.75! USER MOD Single : A 59 GLN : amide:sc= -0.305 X(o=-0.31,f=-0.8) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 30:sc= -0.123 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 163:sc= -6.53! (180deg=-7.19!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -158:sc= -0.211 (180deg=-0.66) USER MOD Single : A 88 ASN : amide:sc= -3.74! C(o=-3.7!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 10 N GLU A 2 -9.451 8.372 -6.008 1.00 0.00 N ATOM 11 CA GLU A 2 -8.436 9.378 -5.582 1.00 0.00 C ATOM 12 C GLU A 2 -7.035 8.763 -5.614 1.00 0.00 C ATOM 13 O GLU A 2 -6.874 7.558 -5.589 1.00 0.00 O ATOM 14 CB GLU A 2 -8.825 9.752 -4.151 1.00 0.00 C ATOM 15 CG GLU A 2 -8.501 11.226 -3.902 1.00 0.00 C ATOM 16 CD GLU A 2 -9.441 12.104 -4.732 1.00 0.00 C ATOM 17 OE1 GLU A 2 -10.642 11.990 -4.547 1.00 0.00 O ATOM 18 OE2 GLU A 2 -8.944 12.873 -5.537 1.00 0.00 O ATOM 0 HA GLU A 2 -8.416 10.247 -6.239 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -9.888 9.571 -3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.286 9.125 -3.441 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.610 11.459 -2.843 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.464 11.431 -4.169 1.00 0.00 H new ATOM 25 N TRP A 3 -6.018 9.580 -5.669 1.00 0.00 N ATOM 26 CA TRP A 3 -4.627 9.041 -5.703 1.00 0.00 C ATOM 27 C TRP A 3 -3.660 10.035 -5.054 1.00 0.00 C ATOM 28 O TRP A 3 -3.797 11.232 -5.202 1.00 0.00 O ATOM 29 CB TRP A 3 -4.306 8.870 -7.188 1.00 0.00 C ATOM 30 CG TRP A 3 -4.640 10.133 -7.917 1.00 0.00 C ATOM 31 CD1 TRP A 3 -5.872 10.467 -8.367 1.00 0.00 C ATOM 32 CD2 TRP A 3 -3.757 11.231 -8.287 1.00 0.00 C ATOM 33 NE1 TRP A 3 -5.800 11.701 -8.989 1.00 0.00 N ATOM 34 CE2 TRP A 3 -4.518 12.213 -8.966 1.00 0.00 C ATOM 35 CE3 TRP A 3 -2.383 11.468 -8.101 1.00 0.00 C ATOM 36 CZ2 TRP A 3 -3.936 13.388 -9.443 1.00 0.00 C ATOM 37 CZ3 TRP A 3 -1.794 12.650 -8.581 1.00 0.00 C ATOM 38 CH2 TRP A 3 -2.569 13.608 -9.250 1.00 0.00 C ATOM 0 H TRP A 3 -6.090 10.597 -5.692 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.532 8.103 -5.155 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -3.251 8.630 -7.318 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -4.875 8.037 -7.601 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -6.765 9.869 -8.258 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -6.597 12.175 -9.413 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -1.777 10.737 -7.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -4.538 14.123 -9.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -0.738 12.822 -8.434 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -2.110 14.515 -9.616 1.00 0.00 H new ATOM 49 N GLU A 4 -2.686 9.547 -4.335 1.00 0.00 N ATOM 50 CA GLU A 4 -1.714 10.467 -3.675 1.00 0.00 C ATOM 51 C GLU A 4 -0.412 9.731 -3.361 1.00 0.00 C ATOM 52 O GLU A 4 -0.249 8.574 -3.687 1.00 0.00 O ATOM 53 CB GLU A 4 -2.400 10.899 -2.381 1.00 0.00 C ATOM 54 CG GLU A 4 -3.561 11.830 -2.713 1.00 0.00 C ATOM 55 CD GLU A 4 -3.878 12.710 -1.503 1.00 0.00 C ATOM 56 OE1 GLU A 4 -3.175 13.688 -1.306 1.00 0.00 O ATOM 57 OE2 GLU A 4 -4.817 12.391 -0.792 1.00 0.00 O ATOM 0 H GLU A 4 -2.521 8.553 -4.176 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.455 11.315 -4.310 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.763 10.026 -1.839 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.688 11.405 -1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.307 12.452 -3.571 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.439 11.247 -2.991 1.00 0.00 H new ATOM 64 N ILE A 5 0.515 10.393 -2.726 1.00 0.00 N ATOM 65 CA ILE A 5 1.802 9.726 -2.385 1.00 0.00 C ATOM 66 C ILE A 5 2.184 10.002 -0.936 1.00 0.00 C ATOM 67 O ILE A 5 1.619 10.848 -0.273 1.00 0.00 O ATOM 68 CB ILE A 5 2.845 10.318 -3.337 1.00 0.00 C ATOM 69 CG1 ILE A 5 4.251 10.143 -2.753 1.00 0.00 C ATOM 70 CG2 ILE A 5 2.573 11.809 -3.560 1.00 0.00 C ATOM 71 CD1 ILE A 5 5.278 10.773 -3.696 1.00 0.00 C ATOM 0 H ILE A 5 0.437 11.366 -2.429 1.00 0.00 H new ATOM 0 HA ILE A 5 1.730 8.644 -2.492 1.00 0.00 H new ATOM 0 HB ILE A 5 2.780 9.793 -4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 5 4.309 10.611 -1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.470 9.084 -2.615 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.322 12.218 -4.239 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.581 11.937 -3.994 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.622 12.334 -2.606 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.278 10.648 -3.280 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.226 10.285 -4.669 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.063 11.835 -3.811 1.00 0.00 H new ATOM 83 N ILE A 6 3.161 9.292 -0.462 1.00 0.00 N ATOM 84 CA ILE A 6 3.627 9.484 0.945 1.00 0.00 C ATOM 85 C ILE A 6 5.128 9.190 1.024 1.00 0.00 C ATOM 86 O ILE A 6 5.785 9.029 0.016 1.00 0.00 O ATOM 87 CB ILE A 6 2.847 8.477 1.814 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.520 8.062 1.150 1.00 0.00 C ATOM 89 CG2 ILE A 6 2.545 9.123 3.167 1.00 0.00 C ATOM 90 CD1 ILE A 6 0.492 9.188 1.282 1.00 0.00 C ATOM 0 H ILE A 6 3.666 8.579 -0.988 1.00 0.00 H new ATOM 0 HA ILE A 6 3.457 10.505 1.287 1.00 0.00 H new ATOM 0 HB ILE A 6 3.460 7.584 1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.687 7.833 0.098 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.139 7.154 1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.993 8.420 3.791 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.480 9.389 3.660 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.946 10.021 3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.442 8.885 0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.314 9.397 2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.871 10.086 0.794 1.00 0.00 H new ATOM 102 N ASP A 7 5.679 9.113 2.207 1.00 0.00 N ATOM 103 CA ASP A 7 7.140 8.821 2.319 1.00 0.00 C ATOM 104 C ASP A 7 7.616 8.907 3.775 1.00 0.00 C ATOM 105 O ASP A 7 7.170 9.736 4.541 1.00 0.00 O ATOM 106 CB ASP A 7 7.829 9.896 1.474 1.00 0.00 C ATOM 107 CG ASP A 7 7.175 11.255 1.731 1.00 0.00 C ATOM 108 OD1 ASP A 7 7.446 11.835 2.769 1.00 0.00 O ATOM 109 OD2 ASP A 7 6.415 11.694 0.884 1.00 0.00 O ATOM 0 H ASP A 7 5.188 9.238 3.092 1.00 0.00 H new ATOM 0 HA ASP A 7 7.370 7.812 1.978 1.00 0.00 H new ATOM 0 HB2 ASP A 7 8.890 9.940 1.720 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.757 9.642 0.416 1.00 0.00 H new ATOM 114 N ILE A 8 8.525 8.042 4.146 1.00 0.00 N ATOM 115 CA ILE A 8 9.071 8.036 5.536 1.00 0.00 C ATOM 116 C ILE A 8 7.951 8.219 6.554 1.00 0.00 C ATOM 117 O ILE A 8 8.164 8.707 7.647 1.00 0.00 O ATOM 118 CB ILE A 8 10.065 9.200 5.591 1.00 0.00 C ATOM 119 CG1 ILE A 8 10.933 9.057 6.842 1.00 0.00 C ATOM 120 CG2 ILE A 8 9.318 10.536 5.642 1.00 0.00 C ATOM 121 CD1 ILE A 8 12.169 8.218 6.510 1.00 0.00 C ATOM 0 H ILE A 8 8.918 7.328 3.533 1.00 0.00 H new ATOM 0 HA ILE A 8 9.554 7.090 5.779 1.00 0.00 H new ATOM 0 HB ILE A 8 10.689 9.179 4.697 1.00 0.00 H new ATOM 0 HG12 ILE A 8 11.234 10.040 7.204 1.00 0.00 H new ATOM 0 HG13 ILE A 8 10.363 8.584 7.642 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.037 11.354 5.681 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.698 10.640 4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.686 10.566 6.530 1.00 0.00 H new ATOM 0 HD11 ILE A 8 12.789 8.115 7.401 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.858 7.231 6.169 1.00 0.00 H new ATOM 0 HD13 ILE A 8 12.742 8.710 5.724 1.00 0.00 H new ATOM 133 N GLY A 9 6.757 7.844 6.203 1.00 0.00 N ATOM 134 CA GLY A 9 5.625 8.018 7.161 1.00 0.00 C ATOM 135 C GLY A 9 4.829 6.713 7.375 1.00 0.00 C ATOM 136 O GLY A 9 5.238 5.836 8.118 1.00 0.00 O ATOM 0 H GLY A 9 6.512 7.428 5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.013 8.365 8.119 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.954 8.793 6.790 1.00 0.00 H new ATOM 140 N PRO A 10 3.684 6.662 6.747 1.00 0.00 N ATOM 141 CA PRO A 10 2.758 5.512 6.899 1.00 0.00 C ATOM 142 C PRO A 10 3.154 4.338 6.008 1.00 0.00 C ATOM 143 O PRO A 10 3.499 3.279 6.492 1.00 0.00 O ATOM 144 CB PRO A 10 1.415 6.087 6.466 1.00 0.00 C ATOM 145 CG PRO A 10 1.739 7.231 5.553 1.00 0.00 C ATOM 146 CD PRO A 10 3.163 7.662 5.824 1.00 0.00 C ATOM 0 HA PRO A 10 2.756 5.112 7.913 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.814 5.335 5.954 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.838 6.424 7.327 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.624 6.931 4.512 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.052 8.060 5.723 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.748 7.695 4.905 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.198 8.660 6.261 1.00 0.00 H new ATOM 154 N PHE A 11 3.104 4.506 4.713 1.00 0.00 N ATOM 155 CA PHE A 11 3.480 3.379 3.811 1.00 0.00 C ATOM 156 C PHE A 11 4.734 2.696 4.346 1.00 0.00 C ATOM 157 O PHE A 11 4.971 1.529 4.111 1.00 0.00 O ATOM 158 CB PHE A 11 3.750 4.016 2.450 1.00 0.00 C ATOM 159 CG PHE A 11 2.457 4.130 1.674 1.00 0.00 C ATOM 160 CD1 PHE A 11 1.491 3.115 1.750 1.00 0.00 C ATOM 161 CD2 PHE A 11 2.226 5.254 0.875 1.00 0.00 C ATOM 162 CE1 PHE A 11 0.299 3.228 1.028 1.00 0.00 C ATOM 163 CE2 PHE A 11 1.033 5.367 0.154 1.00 0.00 C ATOM 164 CZ PHE A 11 0.069 4.354 0.231 1.00 0.00 C ATOM 0 H PHE A 11 2.822 5.367 4.244 1.00 0.00 H new ATOM 0 HA PHE A 11 2.699 2.621 3.744 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.194 5.003 2.581 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.468 3.415 1.892 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.668 2.246 2.366 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.969 6.035 0.815 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.444 2.446 1.086 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.855 6.236 -0.462 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.852 4.442 -0.325 1.00 0.00 H new ATOM 174 N THR A 12 5.521 3.416 5.090 1.00 0.00 N ATOM 175 CA THR A 12 6.746 2.828 5.677 1.00 0.00 C ATOM 176 C THR A 12 6.331 1.829 6.748 1.00 0.00 C ATOM 177 O THR A 12 6.587 0.644 6.650 1.00 0.00 O ATOM 178 CB THR A 12 7.495 4.012 6.304 1.00 0.00 C ATOM 179 OG1 THR A 12 6.983 4.274 7.602 1.00 0.00 O ATOM 180 CG2 THR A 12 7.331 5.266 5.442 1.00 0.00 C ATOM 0 H THR A 12 5.363 4.398 5.317 1.00 0.00 H new ATOM 0 HA THR A 12 7.369 2.307 4.950 1.00 0.00 H new ATOM 0 HB THR A 12 8.552 3.755 6.368 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.235 4.904 7.538 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.868 6.096 5.901 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.734 5.079 4.447 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.273 5.518 5.363 1.00 0.00 H new ATOM 188 N GLN A 13 5.669 2.305 7.762 1.00 0.00 N ATOM 189 CA GLN A 13 5.206 1.388 8.841 1.00 0.00 C ATOM 190 C GLN A 13 4.145 0.440 8.280 1.00 0.00 C ATOM 191 O GLN A 13 3.852 -0.599 8.843 1.00 0.00 O ATOM 192 CB GLN A 13 4.609 2.300 9.914 1.00 0.00 C ATOM 193 CG GLN A 13 3.886 1.452 10.961 1.00 0.00 C ATOM 194 CD GLN A 13 4.240 1.957 12.361 1.00 0.00 C ATOM 195 OE1 GLN A 13 4.844 1.247 13.141 1.00 0.00 O ATOM 196 NE2 GLN A 13 3.888 3.162 12.716 1.00 0.00 N ATOM 0 H GLN A 13 5.428 3.288 7.892 1.00 0.00 H new ATOM 0 HA GLN A 13 6.010 0.773 9.246 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.397 2.887 10.387 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.914 3.007 9.460 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.808 1.505 10.806 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.172 0.405 10.857 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.381 3.759 12.062 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.120 3.507 13.647 1.00 0.00 H new ATOM 205 N ASN A 14 3.579 0.795 7.164 1.00 0.00 N ATOM 206 CA ASN A 14 2.538 -0.070 6.537 1.00 0.00 C ATOM 207 C ASN A 14 3.197 -1.227 5.796 1.00 0.00 C ATOM 208 O ASN A 14 2.983 -2.381 6.109 1.00 0.00 O ATOM 209 CB ASN A 14 1.796 0.844 5.562 1.00 0.00 C ATOM 210 CG ASN A 14 0.529 1.381 6.231 1.00 0.00 C ATOM 211 OD1 ASN A 14 -0.570 1.031 5.848 1.00 0.00 O ATOM 212 ND2 ASN A 14 0.637 2.222 7.223 1.00 0.00 N ATOM 0 H ASN A 14 3.792 1.652 6.654 1.00 0.00 H new ATOM 0 HA ASN A 14 1.864 -0.508 7.273 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.439 1.671 5.260 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.537 0.295 4.657 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.201 2.586 7.677 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.559 2.516 7.544 1.00 0.00 H new ATOM 219 N LEU A 15 3.998 -0.916 4.824 1.00 0.00 N ATOM 220 CA LEU A 15 4.697 -1.982 4.050 1.00 0.00 C ATOM 221 C LEU A 15 5.157 -3.087 5.007 1.00 0.00 C ATOM 222 O LEU A 15 4.902 -4.254 4.795 1.00 0.00 O ATOM 223 CB LEU A 15 5.882 -1.258 3.378 1.00 0.00 C ATOM 224 CG LEU A 15 7.198 -2.019 3.592 1.00 0.00 C ATOM 225 CD1 LEU A 15 7.083 -3.424 3.003 1.00 0.00 C ATOM 226 CD2 LEU A 15 8.338 -1.269 2.898 1.00 0.00 C ATOM 0 H LEU A 15 4.204 0.038 4.526 1.00 0.00 H new ATOM 0 HA LEU A 15 4.067 -2.469 3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.689 -1.155 2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.972 -0.251 3.784 1.00 0.00 H new ATOM 0 HG LEU A 15 7.403 -2.091 4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.019 -3.961 3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.272 -3.960 3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.876 -3.355 1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.273 -1.808 3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.129 -1.197 1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.424 -0.268 3.320 1.00 0.00 H new ATOM 238 N GLY A 16 5.829 -2.723 6.064 1.00 0.00 N ATOM 239 CA GLY A 16 6.297 -3.750 7.035 1.00 0.00 C ATOM 240 C GLY A 16 5.110 -4.610 7.474 1.00 0.00 C ATOM 241 O GLY A 16 5.116 -5.817 7.327 1.00 0.00 O ATOM 0 H GLY A 16 6.074 -1.760 6.297 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.065 -4.375 6.579 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.751 -3.268 7.901 1.00 0.00 H new ATOM 245 N LYS A 17 4.089 -3.999 8.013 1.00 0.00 N ATOM 246 CA LYS A 17 2.902 -4.783 8.463 1.00 0.00 C ATOM 247 C LYS A 17 2.144 -5.348 7.263 1.00 0.00 C ATOM 248 O LYS A 17 2.120 -6.540 7.028 1.00 0.00 O ATOM 249 CB LYS A 17 2.033 -3.782 9.225 1.00 0.00 C ATOM 250 CG LYS A 17 1.426 -4.463 10.452 1.00 0.00 C ATOM 251 CD LYS A 17 1.366 -3.466 11.612 1.00 0.00 C ATOM 252 CE LYS A 17 0.276 -3.894 12.597 1.00 0.00 C ATOM 253 NZ LYS A 17 0.822 -5.107 13.269 1.00 0.00 N ATOM 0 H LYS A 17 4.025 -2.992 8.161 1.00 0.00 H new ATOM 0 HA LYS A 17 3.185 -5.635 9.082 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.632 -2.924 9.531 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.242 -3.404 8.577 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.426 -4.828 10.221 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.025 -5.329 10.734 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.331 -3.421 12.117 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.157 -2.465 11.235 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.063 -3.105 13.318 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.658 -4.115 12.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.263 -5.312 14.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.771 -5.917 12.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.813 -4.939 13.536 1.00 0.00 H new ATOM 267 N PHE A 18 1.522 -4.491 6.516 1.00 0.00 N ATOM 268 CA PHE A 18 0.745 -4.942 5.323 1.00 0.00 C ATOM 269 C PHE A 18 1.465 -6.074 4.598 1.00 0.00 C ATOM 270 O PHE A 18 0.974 -7.181 4.499 1.00 0.00 O ATOM 271 CB PHE A 18 0.652 -3.707 4.425 1.00 0.00 C ATOM 272 CG PHE A 18 -0.656 -2.998 4.675 1.00 0.00 C ATOM 273 CD1 PHE A 18 -1.214 -2.991 5.959 1.00 0.00 C ATOM 274 CD2 PHE A 18 -1.309 -2.344 3.624 1.00 0.00 C ATOM 275 CE1 PHE A 18 -2.427 -2.332 6.191 1.00 0.00 C ATOM 276 CE2 PHE A 18 -2.523 -1.686 3.856 1.00 0.00 C ATOM 277 CZ PHE A 18 -3.082 -1.679 5.139 1.00 0.00 C ATOM 0 H PHE A 18 1.514 -3.484 6.677 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.236 -5.328 5.601 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.486 -3.035 4.626 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.724 -4.000 3.378 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.709 -3.494 6.770 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.877 -2.347 2.634 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.858 -2.327 7.181 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.028 -1.184 3.044 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.018 -1.170 5.318 1.00 0.00 H new ATOM 287 N ALA A 19 2.618 -5.797 4.086 1.00 0.00 N ATOM 288 CA ALA A 19 3.385 -6.843 3.353 1.00 0.00 C ATOM 289 C ALA A 19 3.348 -8.165 4.123 1.00 0.00 C ATOM 290 O ALA A 19 2.680 -9.097 3.732 1.00 0.00 O ATOM 291 CB ALA A 19 4.814 -6.308 3.269 1.00 0.00 C ATOM 0 H ALA A 19 3.073 -4.886 4.140 1.00 0.00 H new ATOM 0 HA ALA A 19 2.969 -7.041 2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.441 -7.026 2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.816 -5.360 2.732 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.205 -6.156 4.275 1.00 0.00 H new ATOM 297 N VAL A 20 4.057 -8.254 5.214 1.00 0.00 N ATOM 298 CA VAL A 20 4.059 -9.524 6.001 1.00 0.00 C ATOM 299 C VAL A 20 2.650 -10.121 6.065 1.00 0.00 C ATOM 300 O VAL A 20 2.482 -11.315 6.204 1.00 0.00 O ATOM 301 CB VAL A 20 4.553 -9.123 7.392 1.00 0.00 C ATOM 302 CG1 VAL A 20 4.154 -10.192 8.414 1.00 0.00 C ATOM 303 CG2 VAL A 20 6.078 -8.989 7.369 1.00 0.00 C ATOM 0 H VAL A 20 4.635 -7.505 5.596 1.00 0.00 H new ATOM 0 HA VAL A 20 4.692 -10.289 5.552 1.00 0.00 H new ATOM 0 HB VAL A 20 4.103 -8.171 7.673 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.509 -9.901 9.403 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.069 -10.291 8.432 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.600 -11.147 8.135 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.433 -8.703 8.359 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.523 -9.943 7.085 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.365 -8.225 6.646 1.00 0.00 H new ATOM 313 N ASP A 21 1.635 -9.309 5.957 1.00 0.00 N ATOM 314 CA ASP A 21 0.247 -9.851 6.002 1.00 0.00 C ATOM 315 C ASP A 21 -0.235 -10.154 4.587 1.00 0.00 C ATOM 316 O ASP A 21 -0.365 -11.297 4.206 1.00 0.00 O ATOM 317 CB ASP A 21 -0.598 -8.750 6.642 1.00 0.00 C ATOM 318 CG ASP A 21 -0.270 -8.657 8.133 1.00 0.00 C ATOM 319 OD1 ASP A 21 0.849 -8.295 8.453 1.00 0.00 O ATOM 320 OD2 ASP A 21 -1.145 -8.950 8.932 1.00 0.00 O ATOM 0 H ASP A 21 1.705 -8.298 5.840 1.00 0.00 H new ATOM 0 HA ASP A 21 0.182 -10.780 6.568 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.400 -7.795 6.155 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.658 -8.964 6.505 1.00 0.00 H new ATOM 325 N GLU A 22 -0.497 -9.151 3.797 1.00 0.00 N ATOM 326 CA GLU A 22 -0.962 -9.428 2.412 1.00 0.00 C ATOM 327 C GLU A 22 0.059 -10.307 1.698 1.00 0.00 C ATOM 328 O GLU A 22 -0.286 -11.167 0.922 1.00 0.00 O ATOM 329 CB GLU A 22 -1.095 -8.060 1.740 1.00 0.00 C ATOM 330 CG GLU A 22 -2.016 -7.171 2.581 1.00 0.00 C ATOM 331 CD GLU A 22 -3.279 -7.949 2.957 1.00 0.00 C ATOM 332 OE1 GLU A 22 -4.206 -7.952 2.164 1.00 0.00 O ATOM 333 OE2 GLU A 22 -3.297 -8.529 4.030 1.00 0.00 O ATOM 0 H GLU A 22 -0.411 -8.166 4.046 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.912 -9.962 2.387 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.114 -7.595 1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.499 -8.174 0.734 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.498 -6.843 3.482 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.282 -6.274 2.022 1.00 0.00 H new ATOM 340 N GLU A 23 1.310 -10.122 1.987 1.00 0.00 N ATOM 341 CA GLU A 23 2.351 -10.976 1.351 1.00 0.00 C ATOM 342 C GLU A 23 2.188 -12.400 1.865 1.00 0.00 C ATOM 343 O GLU A 23 1.985 -13.324 1.106 1.00 0.00 O ATOM 344 CB GLU A 23 3.694 -10.386 1.782 1.00 0.00 C ATOM 345 CG GLU A 23 4.764 -10.731 0.745 1.00 0.00 C ATOM 346 CD GLU A 23 6.072 -11.080 1.458 1.00 0.00 C ATOM 347 OE1 GLU A 23 6.070 -11.111 2.678 1.00 0.00 O ATOM 348 OE2 GLU A 23 7.054 -11.311 0.772 1.00 0.00 O ATOM 0 H GLU A 23 1.661 -9.417 2.636 1.00 0.00 H new ATOM 0 HA GLU A 23 2.276 -11.001 0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.610 -9.304 1.887 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.979 -10.780 2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.435 -11.571 0.134 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.918 -9.888 0.072 1.00 0.00 H new ATOM 355 N ASN A 24 2.235 -12.589 3.152 1.00 0.00 N ATOM 356 CA ASN A 24 2.035 -13.964 3.680 1.00 0.00 C ATOM 357 C ASN A 24 0.653 -14.440 3.239 1.00 0.00 C ATOM 358 O ASN A 24 0.491 -15.536 2.739 1.00 0.00 O ATOM 359 CB ASN A 24 2.115 -13.840 5.201 1.00 0.00 C ATOM 360 CG ASN A 24 3.562 -13.570 5.617 1.00 0.00 C ATOM 361 OD1 ASN A 24 4.259 -12.809 4.976 1.00 0.00 O ATOM 362 ND2 ASN A 24 4.047 -14.165 6.673 1.00 0.00 N ATOM 0 H ASN A 24 2.400 -11.865 3.851 1.00 0.00 H new ATOM 0 HA ASN A 24 2.774 -14.679 3.318 1.00 0.00 H new ATOM 0 HB2 ASN A 24 1.470 -13.031 5.545 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.756 -14.756 5.670 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.010 -13.991 6.959 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.463 -14.804 7.212 1.00 0.00 H new ATOM 369 N LYS A 25 -0.342 -13.610 3.400 1.00 0.00 N ATOM 370 CA LYS A 25 -1.712 -14.002 2.965 1.00 0.00 C ATOM 371 C LYS A 25 -1.691 -14.402 1.492 1.00 0.00 C ATOM 372 O LYS A 25 -2.169 -15.452 1.111 1.00 0.00 O ATOM 373 CB LYS A 25 -2.575 -12.757 3.171 1.00 0.00 C ATOM 374 CG LYS A 25 -3.122 -12.743 4.599 1.00 0.00 C ATOM 375 CD LYS A 25 -4.625 -12.456 4.566 1.00 0.00 C ATOM 376 CE LYS A 25 -5.399 -13.762 4.761 1.00 0.00 C ATOM 377 NZ LYS A 25 -6.809 -13.429 4.407 1.00 0.00 N ATOM 0 H LYS A 25 -0.265 -12.680 3.813 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.097 -14.853 3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.985 -11.859 2.988 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.397 -12.750 2.456 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.934 -13.702 5.081 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.609 -11.984 5.189 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.887 -11.745 5.349 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.898 -11.998 3.615 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.007 -14.553 4.121 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.323 -14.117 5.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.403 -14.275 4.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.157 -12.678 5.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.851 -13.101 3.421 1.00 0.00 H new ATOM 391 N ILE A 26 -1.138 -13.568 0.663 1.00 0.00 N ATOM 392 CA ILE A 26 -1.080 -13.894 -0.796 1.00 0.00 C ATOM 393 C ILE A 26 -0.236 -15.153 -1.019 1.00 0.00 C ATOM 394 O ILE A 26 -0.290 -15.775 -2.059 1.00 0.00 O ATOM 395 CB ILE A 26 -0.457 -12.663 -1.484 1.00 0.00 C ATOM 396 CG1 ILE A 26 -0.972 -12.575 -2.922 1.00 0.00 C ATOM 397 CG2 ILE A 26 1.074 -12.759 -1.508 1.00 0.00 C ATOM 398 CD1 ILE A 26 -0.535 -13.816 -3.702 1.00 0.00 C ATOM 0 H ILE A 26 -0.722 -12.674 0.926 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.067 -14.104 -1.209 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.741 -11.774 -0.921 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.059 -12.496 -2.925 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.585 -11.676 -3.403 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.486 -11.877 -1.999 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.451 -12.815 -0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.374 -13.653 -2.055 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.903 -13.751 -4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.553 -13.876 -3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.943 -14.707 -3.226 1.00 0.00 H new ATOM 410 N GLY A 27 0.540 -15.530 -0.042 1.00 0.00 N ATOM 411 CA GLY A 27 1.385 -16.748 -0.189 1.00 0.00 C ATOM 412 C GLY A 27 2.863 -16.355 -0.158 1.00 0.00 C ATOM 413 O GLY A 27 3.633 -16.731 -1.019 1.00 0.00 O ATOM 0 H GLY A 27 0.626 -15.047 0.852 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.169 -17.452 0.615 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.152 -17.253 -1.126 1.00 0.00 H new ATOM 417 N GLN A 28 3.264 -15.602 0.828 1.00 0.00 N ATOM 418 CA GLN A 28 4.692 -15.185 0.915 1.00 0.00 C ATOM 419 C GLN A 28 5.084 -14.943 2.374 1.00 0.00 C ATOM 420 O GLN A 28 5.164 -13.819 2.829 1.00 0.00 O ATOM 421 CB GLN A 28 4.776 -13.886 0.113 1.00 0.00 C ATOM 422 CG GLN A 28 5.443 -14.159 -1.235 1.00 0.00 C ATOM 423 CD GLN A 28 4.391 -14.116 -2.345 1.00 0.00 C ATOM 424 OE1 GLN A 28 3.316 -14.663 -2.200 1.00 0.00 O ATOM 425 NE2 GLN A 28 4.656 -13.484 -3.455 1.00 0.00 N ATOM 0 H GLN A 28 2.665 -15.257 1.578 1.00 0.00 H new ATOM 0 HA GLN A 28 5.369 -15.946 0.527 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.778 -13.476 -0.040 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.345 -13.140 0.668 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.218 -13.417 -1.426 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.931 -15.133 -1.220 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.558 -13.025 -3.577 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.961 -13.449 -4.201 1.00 0.00 H new ATOM 486 N LEU A 32 10.131 -11.585 6.469 1.00 0.00 N ATOM 487 CA LEU A 32 9.582 -10.216 6.681 1.00 0.00 C ATOM 488 C LEU A 32 9.702 -9.404 5.391 1.00 0.00 C ATOM 489 O LEU A 32 10.560 -9.651 4.568 1.00 0.00 O ATOM 490 CB LEU A 32 10.437 -9.595 7.794 1.00 0.00 C ATOM 491 CG LEU A 32 11.886 -10.080 7.682 1.00 0.00 C ATOM 492 CD1 LEU A 32 12.448 -9.700 6.312 1.00 0.00 C ATOM 493 CD2 LEU A 32 12.727 -9.425 8.779 1.00 0.00 C ATOM 0 HA LEU A 32 8.527 -10.234 6.955 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.403 -8.508 7.724 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.030 -9.865 8.769 1.00 0.00 H new ATOM 0 HG LEU A 32 11.917 -11.163 7.797 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.479 -10.045 6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.848 -10.167 5.531 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.418 -8.617 6.194 1.00 0.00 H new ATOM 0 HD21 LEU A 32 13.758 -9.769 8.701 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.696 -8.342 8.663 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.327 -9.697 9.756 1.00 0.00 H new ATOM 505 N THR A 33 8.844 -8.442 5.205 1.00 0.00 N ATOM 506 CA THR A 33 8.906 -7.620 3.967 1.00 0.00 C ATOM 507 C THR A 33 9.310 -6.184 4.309 1.00 0.00 C ATOM 508 O THR A 33 8.649 -5.236 3.938 1.00 0.00 O ATOM 509 CB THR A 33 7.486 -7.666 3.397 1.00 0.00 C ATOM 510 OG1 THR A 33 6.587 -8.120 4.402 1.00 0.00 O ATOM 511 CG2 THR A 33 7.440 -8.621 2.200 1.00 0.00 C ATOM 0 H THR A 33 8.102 -8.189 5.858 1.00 0.00 H new ATOM 0 HA THR A 33 9.642 -7.991 3.254 1.00 0.00 H new ATOM 0 HB THR A 33 7.195 -6.667 3.071 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.268 -9.018 4.174 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.428 -8.651 1.797 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.127 -8.272 1.429 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.733 -9.621 2.521 1.00 0.00 H new ATOM 519 N PHE A 34 10.395 -6.020 5.015 1.00 0.00 N ATOM 520 CA PHE A 34 10.850 -4.648 5.385 1.00 0.00 C ATOM 521 C PHE A 34 12.358 -4.646 5.648 1.00 0.00 C ATOM 522 O PHE A 34 12.811 -5.000 6.719 1.00 0.00 O ATOM 523 CB PHE A 34 10.085 -4.306 6.666 1.00 0.00 C ATOM 524 CG PHE A 34 10.072 -2.806 6.876 1.00 0.00 C ATOM 525 CD1 PHE A 34 10.955 -1.982 6.162 1.00 0.00 C ATOM 526 CD2 PHE A 34 9.174 -2.239 7.789 1.00 0.00 C ATOM 527 CE1 PHE A 34 10.937 -0.596 6.362 1.00 0.00 C ATOM 528 CE2 PHE A 34 9.158 -0.853 7.988 1.00 0.00 C ATOM 529 CZ PHE A 34 10.039 -0.032 7.275 1.00 0.00 C ATOM 0 H PHE A 34 10.988 -6.778 5.353 1.00 0.00 H new ATOM 0 HA PHE A 34 10.662 -3.924 4.592 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.064 -4.681 6.601 1.00 0.00 H new ATOM 0 HB3 PHE A 34 10.551 -4.797 7.520 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.649 -2.417 5.458 1.00 0.00 H new ATOM 0 HD2 PHE A 34 8.493 -2.871 8.340 1.00 0.00 H new ATOM 0 HE1 PHE A 34 11.616 0.038 5.811 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.465 -0.417 8.692 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.026 1.037 7.429 1.00 0.00 H new ATOM 539 N ASN A 35 13.140 -4.252 4.681 1.00 0.00 N ATOM 540 CA ASN A 35 14.618 -4.231 4.878 1.00 0.00 C ATOM 541 C ASN A 35 15.221 -2.917 4.364 1.00 0.00 C ATOM 542 O ASN A 35 15.765 -2.141 5.122 1.00 0.00 O ATOM 543 CB ASN A 35 15.146 -5.413 4.065 1.00 0.00 C ATOM 544 CG ASN A 35 16.607 -5.675 4.435 1.00 0.00 C ATOM 545 OD1 ASN A 35 17.506 -5.317 3.700 1.00 0.00 O ATOM 546 ND2 ASN A 35 16.884 -6.291 5.551 1.00 0.00 N ATOM 0 H ASN A 35 12.820 -3.944 3.763 1.00 0.00 H new ATOM 0 HA ASN A 35 14.885 -4.304 5.932 1.00 0.00 H new ATOM 0 HB2 ASN A 35 14.545 -6.301 4.262 1.00 0.00 H new ATOM 0 HB3 ASN A 35 15.062 -5.201 2.999 1.00 0.00 H new ATOM 0 HD21 ASN A 35 17.855 -6.472 5.806 1.00 0.00 H new ATOM 0 HD22 ASN A 35 16.130 -6.592 6.168 1.00 0.00 H new ATOM 553 N LYS A 36 15.147 -2.667 3.082 1.00 0.00 N ATOM 554 CA LYS A 36 15.741 -1.408 2.541 1.00 0.00 C ATOM 555 C LYS A 36 14.927 -0.177 2.974 1.00 0.00 C ATOM 556 O LYS A 36 14.993 0.237 4.114 1.00 0.00 O ATOM 557 CB LYS A 36 15.733 -1.577 1.022 1.00 0.00 C ATOM 558 CG LYS A 36 16.511 -0.429 0.377 1.00 0.00 C ATOM 559 CD LYS A 36 18.010 -0.723 0.454 1.00 0.00 C ATOM 560 CE LYS A 36 18.697 0.339 1.316 1.00 0.00 C ATOM 561 NZ LYS A 36 20.144 -0.011 1.273 1.00 0.00 N ATOM 0 H LYS A 36 14.705 -3.274 2.392 1.00 0.00 H new ATOM 0 HA LYS A 36 16.750 -1.242 2.920 1.00 0.00 H new ATOM 0 HB2 LYS A 36 16.181 -2.532 0.749 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.708 -1.589 0.652 1.00 0.00 H new ATOM 0 HG2 LYS A 36 16.206 -0.308 -0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 36 16.287 0.508 0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 36 18.175 -1.713 0.878 1.00 0.00 H new ATOM 0 HD3 LYS A 36 18.442 -0.729 -0.547 1.00 0.00 H new ATOM 0 HE2 LYS A 36 18.521 1.341 0.924 1.00 0.00 H new ATOM 0 HE3 LYS A 36 18.317 0.325 2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 20.684 0.672 1.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 20.281 -0.967 1.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 20.479 0.017 0.289 1.00 0.00 H new ATOM 575 N VAL A 37 14.178 0.435 2.085 1.00 0.00 N ATOM 576 CA VAL A 37 13.408 1.651 2.493 1.00 0.00 C ATOM 577 C VAL A 37 12.226 1.925 1.545 1.00 0.00 C ATOM 578 O VAL A 37 12.066 1.285 0.525 1.00 0.00 O ATOM 579 CB VAL A 37 14.439 2.778 2.411 1.00 0.00 C ATOM 580 CG1 VAL A 37 13.735 4.135 2.324 1.00 0.00 C ATOM 581 CG2 VAL A 37 15.323 2.743 3.657 1.00 0.00 C ATOM 0 H VAL A 37 14.068 0.150 1.112 1.00 0.00 H new ATOM 0 HA VAL A 37 12.965 1.544 3.483 1.00 0.00 H new ATOM 0 HB VAL A 37 15.049 2.639 1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.480 4.928 2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.106 4.162 1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.117 4.282 3.210 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.060 3.545 3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.705 2.877 4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.835 1.783 3.713 1.00 0.00 H new ATOM 591 N ILE A 38 11.403 2.885 1.893 1.00 0.00 N ATOM 592 CA ILE A 38 10.221 3.237 1.043 1.00 0.00 C ATOM 593 C ILE A 38 10.301 4.702 0.604 1.00 0.00 C ATOM 594 O ILE A 38 10.544 5.592 1.396 1.00 0.00 O ATOM 595 CB ILE A 38 8.995 2.998 1.939 1.00 0.00 C ATOM 596 CG1 ILE A 38 7.791 3.796 1.402 1.00 0.00 C ATOM 597 CG2 ILE A 38 9.303 3.416 3.382 1.00 0.00 C ATOM 598 CD1 ILE A 38 7.822 5.243 1.912 1.00 0.00 C ATOM 0 H ILE A 38 11.501 3.446 2.739 1.00 0.00 H new ATOM 0 HA ILE A 38 10.175 2.640 0.132 1.00 0.00 H new ATOM 0 HB ILE A 38 8.751 1.936 1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.803 3.790 0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.863 3.316 1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.427 3.242 4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.140 2.829 3.760 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.561 4.475 3.407 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.962 5.786 1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.786 5.246 3.001 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.740 5.727 1.578 1.00 0.00 H new ATOM 610 N ARG A 39 10.090 4.951 -0.657 1.00 0.00 N ATOM 611 CA ARG A 39 10.133 6.349 -1.166 1.00 0.00 C ATOM 612 C ARG A 39 8.963 6.585 -2.129 1.00 0.00 C ATOM 613 O ARG A 39 8.114 7.412 -1.861 1.00 0.00 O ATOM 614 CB ARG A 39 11.483 6.491 -1.873 1.00 0.00 C ATOM 615 CG ARG A 39 12.450 7.263 -0.974 1.00 0.00 C ATOM 616 CD ARG A 39 12.963 8.498 -1.717 1.00 0.00 C ATOM 617 NE ARG A 39 13.566 7.970 -2.972 1.00 0.00 N ATOM 618 CZ ARG A 39 14.830 8.174 -3.225 1.00 0.00 C ATOM 619 NH1 ARG A 39 15.279 9.392 -3.356 1.00 0.00 N ATOM 620 NH2 ARG A 39 15.643 7.162 -3.345 1.00 0.00 N ATOM 0 H ARG A 39 9.888 4.242 -1.362 1.00 0.00 H new ATOM 0 HA ARG A 39 10.037 7.087 -0.369 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.891 5.507 -2.103 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.356 7.013 -2.821 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.948 7.562 -0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.286 6.624 -0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.153 9.195 -1.931 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.699 9.039 -1.122 1.00 0.00 H new ATOM 0 HE ARG A 39 12.991 7.449 -3.634 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.642 10.183 -3.261 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.267 9.553 -3.554 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.291 6.210 -3.241 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.631 7.322 -3.543 1.00 0.00 H new ATOM 634 N PRO A 40 8.926 5.844 -3.217 1.00 0.00 N ATOM 635 CA PRO A 40 7.816 5.998 -4.179 1.00 0.00 C ATOM 636 C PRO A 40 6.571 5.219 -3.720 1.00 0.00 C ATOM 637 O PRO A 40 5.919 4.527 -4.487 1.00 0.00 O ATOM 638 CB PRO A 40 8.388 5.457 -5.483 1.00 0.00 C ATOM 639 CG PRO A 40 9.493 4.523 -5.092 1.00 0.00 C ATOM 640 CD PRO A 40 9.888 4.825 -3.661 1.00 0.00 C ATOM 0 HA PRO A 40 7.477 7.029 -4.279 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.623 4.937 -6.059 1.00 0.00 H new ATOM 0 HB3 PRO A 40 8.764 6.266 -6.110 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.165 3.488 -5.185 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.348 4.648 -5.756 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.835 3.932 -3.038 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.912 5.194 -3.602 1.00 0.00 H new ATOM 648 N CYS A 41 6.224 5.349 -2.472 1.00 0.00 N ATOM 649 CA CYS A 41 5.007 4.656 -1.956 1.00 0.00 C ATOM 650 C CYS A 41 3.763 5.470 -2.343 1.00 0.00 C ATOM 651 O CYS A 41 3.233 6.224 -1.551 1.00 0.00 O ATOM 652 CB CYS A 41 5.178 4.631 -0.434 1.00 0.00 C ATOM 653 SG CYS A 41 5.413 6.317 0.182 1.00 0.00 S ATOM 0 H CYS A 41 6.730 5.906 -1.783 1.00 0.00 H new ATOM 0 HA CYS A 41 4.887 3.652 -2.363 1.00 0.00 H new ATOM 0 HB2 CYS A 41 4.301 4.182 0.033 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.034 4.013 -0.165 1.00 0.00 H new ATOM 0 HG CYS A 41 4.435 7.069 -0.228 1.00 0.00 H new ATOM 659 N MET A 42 3.306 5.339 -3.562 1.00 0.00 N ATOM 660 CA MET A 42 2.110 6.122 -4.008 1.00 0.00 C ATOM 661 C MET A 42 0.811 5.430 -3.587 1.00 0.00 C ATOM 662 O MET A 42 0.681 4.230 -3.689 1.00 0.00 O ATOM 663 CB MET A 42 2.215 6.163 -5.531 1.00 0.00 C ATOM 664 CG MET A 42 2.495 7.596 -5.986 1.00 0.00 C ATOM 665 SD MET A 42 1.526 7.956 -7.473 1.00 0.00 S ATOM 666 CE MET A 42 2.806 7.546 -8.683 1.00 0.00 C ATOM 0 H MET A 42 3.708 4.724 -4.269 1.00 0.00 H new ATOM 0 HA MET A 42 2.090 7.117 -3.563 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.012 5.501 -5.869 1.00 0.00 H new ATOM 0 HB3 MET A 42 1.289 5.802 -5.980 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.238 8.298 -5.193 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.558 7.723 -6.192 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.417 7.699 -9.690 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.673 8.188 -8.527 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.100 6.503 -8.562 1.00 0.00 H new ATOM 676 N LYS A 43 -0.154 6.185 -3.119 1.00 0.00 N ATOM 677 CA LYS A 43 -1.452 5.581 -2.690 1.00 0.00 C ATOM 678 C LYS A 43 -2.545 5.843 -3.732 1.00 0.00 C ATOM 679 O LYS A 43 -2.467 6.771 -4.512 1.00 0.00 O ATOM 680 CB LYS A 43 -1.798 6.301 -1.384 1.00 0.00 C ATOM 681 CG LYS A 43 -3.036 5.663 -0.753 1.00 0.00 C ATOM 682 CD LYS A 43 -4.186 6.671 -0.763 1.00 0.00 C ATOM 683 CE LYS A 43 -4.835 6.722 0.622 1.00 0.00 C ATOM 684 NZ LYS A 43 -4.806 8.161 1.008 1.00 0.00 N ATOM 0 H LYS A 43 -0.097 7.198 -3.016 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.379 4.500 -2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.957 6.245 -0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.981 7.358 -1.578 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.318 4.767 -1.305 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.818 5.353 0.269 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.815 7.658 -1.039 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.925 6.387 -1.512 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.856 6.341 0.594 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.286 6.110 1.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.235 8.277 1.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.821 8.494 1.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.342 8.718 0.312 1.00 0.00 H new ATOM 698 N LYS A 44 -3.571 5.033 -3.736 1.00 0.00 N ATOM 699 CA LYS A 44 -4.685 5.229 -4.708 1.00 0.00 C ATOM 700 C LYS A 44 -5.933 4.504 -4.197 1.00 0.00 C ATOM 701 O LYS A 44 -6.033 3.299 -4.274 1.00 0.00 O ATOM 702 CB LYS A 44 -4.193 4.605 -6.014 1.00 0.00 C ATOM 703 CG LYS A 44 -3.541 5.684 -6.880 1.00 0.00 C ATOM 704 CD LYS A 44 -4.015 5.533 -8.328 1.00 0.00 C ATOM 705 CE LYS A 44 -2.824 5.708 -9.274 1.00 0.00 C ATOM 706 NZ LYS A 44 -3.116 4.813 -10.428 1.00 0.00 N ATOM 0 H LYS A 44 -3.685 4.240 -3.104 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.948 6.278 -4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.477 3.811 -5.803 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.026 4.149 -6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.800 6.673 -6.503 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.456 5.598 -6.831 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.468 4.552 -8.474 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.782 6.275 -8.550 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.723 6.745 -9.594 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.889 5.432 -8.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.344 4.877 -11.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.200 3.832 -10.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.008 5.104 -10.876 1.00 0.00 H new ATOM 720 N THR A 45 -6.880 5.221 -3.658 1.00 0.00 N ATOM 721 CA THR A 45 -8.099 4.545 -3.129 1.00 0.00 C ATOM 722 C THR A 45 -9.369 5.115 -3.766 1.00 0.00 C ATOM 723 O THR A 45 -9.421 6.258 -4.173 1.00 0.00 O ATOM 724 CB THR A 45 -8.080 4.827 -1.621 1.00 0.00 C ATOM 725 OG1 THR A 45 -7.164 3.943 -0.989 1.00 0.00 O ATOM 726 CG2 THR A 45 -9.482 4.624 -1.027 1.00 0.00 C ATOM 0 H THR A 45 -6.864 6.236 -3.561 1.00 0.00 H new ATOM 0 HA THR A 45 -8.099 3.478 -3.353 1.00 0.00 H new ATOM 0 HB THR A 45 -7.771 5.859 -1.454 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.604 3.501 -0.233 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.456 4.827 0.044 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.183 5.305 -1.509 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.802 3.596 -1.194 1.00 0.00 H new ATOM 734 N ILE A 46 -10.404 4.322 -3.816 1.00 0.00 N ATOM 735 CA ILE A 46 -11.697 4.793 -4.377 1.00 0.00 C ATOM 736 C ILE A 46 -12.776 4.472 -3.354 1.00 0.00 C ATOM 737 O ILE A 46 -13.677 3.696 -3.594 1.00 0.00 O ATOM 738 CB ILE A 46 -11.912 3.988 -5.651 1.00 0.00 C ATOM 739 CG1 ILE A 46 -13.309 4.325 -6.207 1.00 0.00 C ATOM 740 CG2 ILE A 46 -11.792 2.496 -5.318 1.00 0.00 C ATOM 741 CD1 ILE A 46 -13.984 3.080 -6.787 1.00 0.00 C ATOM 0 H ILE A 46 -10.406 3.356 -3.487 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.717 5.861 -4.592 1.00 0.00 H new ATOM 0 HB ILE A 46 -11.164 4.233 -6.405 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -13.929 4.743 -5.414 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.222 5.089 -6.979 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.944 1.908 -6.223 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.800 2.292 -4.915 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -12.546 2.226 -4.579 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -14.968 3.346 -7.172 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -13.374 2.679 -7.596 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -14.091 2.327 -6.006 1.00 0.00 H new ATOM 898 N GLY A 55 -13.067 1.098 -1.666 1.00 0.00 N ATOM 899 CA GLY A 55 -11.917 0.240 -2.072 1.00 0.00 C ATOM 900 C GLY A 55 -10.604 0.893 -1.661 1.00 0.00 C ATOM 901 O GLY A 55 -10.555 2.061 -1.339 1.00 0.00 O ATOM 0 HA2 GLY A 55 -12.004 -0.742 -1.607 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.933 0.085 -3.151 1.00 0.00 H new ATOM 905 N TYR A 56 -9.533 0.145 -1.664 1.00 0.00 N ATOM 906 CA TYR A 56 -8.230 0.735 -1.266 1.00 0.00 C ATOM 907 C TYR A 56 -7.067 0.040 -1.981 1.00 0.00 C ATOM 908 O TYR A 56 -6.460 -0.873 -1.455 1.00 0.00 O ATOM 909 CB TYR A 56 -8.140 0.511 0.243 1.00 0.00 C ATOM 910 CG TYR A 56 -7.113 1.447 0.831 1.00 0.00 C ATOM 911 CD1 TYR A 56 -5.784 1.393 0.392 1.00 0.00 C ATOM 912 CD2 TYR A 56 -7.487 2.368 1.815 1.00 0.00 C ATOM 913 CE1 TYR A 56 -4.831 2.261 0.936 1.00 0.00 C ATOM 914 CE2 TYR A 56 -6.534 3.237 2.360 1.00 0.00 C ATOM 915 CZ TYR A 56 -5.206 3.184 1.920 1.00 0.00 C ATOM 916 OH TYR A 56 -4.267 4.039 2.458 1.00 0.00 O ATOM 0 H TYR A 56 -9.507 -0.841 -1.923 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.167 1.790 -1.533 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -9.112 0.684 0.705 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -7.867 -0.523 0.452 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.495 0.681 -0.367 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.511 2.409 2.155 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.806 2.219 0.597 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.823 3.948 3.120 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.694 4.615 3.126 1.00 0.00 H new ATOM 926 N GLU A 57 -6.729 0.485 -3.161 1.00 0.00 N ATOM 927 CA GLU A 57 -5.577 -0.128 -3.881 1.00 0.00 C ATOM 928 C GLU A 57 -4.336 0.718 -3.591 1.00 0.00 C ATOM 929 O GLU A 57 -4.435 1.906 -3.354 1.00 0.00 O ATOM 930 CB GLU A 57 -5.947 -0.097 -5.369 1.00 0.00 C ATOM 931 CG GLU A 57 -5.904 1.339 -5.893 1.00 0.00 C ATOM 932 CD GLU A 57 -5.811 1.321 -7.420 1.00 0.00 C ATOM 933 OE1 GLU A 57 -5.068 0.504 -7.939 1.00 0.00 O ATOM 934 OE2 GLU A 57 -6.482 2.125 -8.046 1.00 0.00 O ATOM 0 H GLU A 57 -7.199 1.243 -3.656 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.366 -1.152 -3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.256 -0.720 -5.936 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.944 -0.515 -5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.797 1.879 -5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.048 1.866 -5.472 1.00 0.00 H new ATOM 941 N TYR A 58 -3.173 0.135 -3.564 1.00 0.00 N ATOM 942 CA TYR A 58 -1.974 0.967 -3.237 1.00 0.00 C ATOM 943 C TYR A 58 -0.720 0.532 -4.001 1.00 0.00 C ATOM 944 O TYR A 58 -0.421 -0.638 -4.127 1.00 0.00 O ATOM 945 CB TYR A 58 -1.761 0.755 -1.734 1.00 0.00 C ATOM 946 CG TYR A 58 -0.353 1.160 -1.356 1.00 0.00 C ATOM 947 CD1 TYR A 58 0.194 2.327 -1.894 1.00 0.00 C ATOM 948 CD2 TYR A 58 0.400 0.381 -0.470 1.00 0.00 C ATOM 949 CE1 TYR A 58 1.489 2.720 -1.549 1.00 0.00 C ATOM 950 CE2 TYR A 58 1.696 0.774 -0.125 1.00 0.00 C ATOM 951 CZ TYR A 58 2.239 1.945 -0.665 1.00 0.00 C ATOM 952 OH TYR A 58 3.516 2.332 -0.325 1.00 0.00 O ATOM 0 H TYR A 58 -2.997 -0.853 -3.748 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.140 2.007 -3.517 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.483 1.343 -1.168 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -1.930 -0.291 -1.477 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.386 2.927 -2.579 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.020 -0.523 -0.053 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.909 3.623 -1.966 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.278 0.174 0.558 1.00 0.00 H new ATOM 0 HH TYR A 58 3.555 2.525 0.635 1.00 0.00 H new ATOM 962 N GLN A 59 0.044 1.492 -4.452 1.00 0.00 N ATOM 963 CA GLN A 59 1.319 1.179 -5.143 1.00 0.00 C ATOM 964 C GLN A 59 2.454 1.349 -4.127 1.00 0.00 C ATOM 965 O GLN A 59 2.799 2.449 -3.743 1.00 0.00 O ATOM 966 CB GLN A 59 1.432 2.208 -6.270 1.00 0.00 C ATOM 967 CG GLN A 59 0.295 1.994 -7.272 1.00 0.00 C ATOM 968 CD GLN A 59 0.629 2.707 -8.583 1.00 0.00 C ATOM 969 OE1 GLN A 59 -0.039 3.648 -8.964 1.00 0.00 O ATOM 970 NE2 GLN A 59 1.642 2.295 -9.295 1.00 0.00 N ATOM 0 H GLN A 59 -0.167 2.486 -4.368 1.00 0.00 H new ATOM 0 HA GLN A 59 1.365 0.166 -5.543 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.386 3.217 -5.861 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.395 2.111 -6.771 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.150 0.929 -7.452 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.640 2.378 -6.865 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.203 1.505 -8.975 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.873 2.763 -10.171 1.00 0.00 H new ATOM 979 N LEU A 60 3.022 0.267 -3.674 1.00 0.00 N ATOM 980 CA LEU A 60 4.115 0.352 -2.664 1.00 0.00 C ATOM 981 C LEU A 60 5.456 0.225 -3.369 1.00 0.00 C ATOM 982 O LEU A 60 6.208 -0.696 -3.129 1.00 0.00 O ATOM 983 CB LEU A 60 3.877 -0.842 -1.727 1.00 0.00 C ATOM 984 CG LEU A 60 4.986 -0.932 -0.669 1.00 0.00 C ATOM 985 CD1 LEU A 60 5.163 0.420 0.025 1.00 0.00 C ATOM 986 CD2 LEU A 60 4.604 -1.983 0.378 1.00 0.00 C ATOM 0 H LEU A 60 2.775 -0.680 -3.962 1.00 0.00 H new ATOM 0 HA LEU A 60 4.121 1.295 -2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.908 -0.739 -1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.845 -1.765 -2.307 1.00 0.00 H new ATOM 0 HG LEU A 60 5.919 -1.211 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.952 0.344 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.434 1.175 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.229 0.705 0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.390 -2.049 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.667 -1.697 0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.483 -2.952 -0.106 1.00 0.00 H new ATOM 998 N TYR A 61 5.766 1.144 -4.239 1.00 0.00 N ATOM 999 CA TYR A 61 7.056 1.056 -4.954 1.00 0.00 C ATOM 1000 C TYR A 61 8.181 1.385 -3.979 1.00 0.00 C ATOM 1001 O TYR A 61 8.382 2.520 -3.607 1.00 0.00 O ATOM 1002 CB TYR A 61 6.927 2.080 -6.076 1.00 0.00 C ATOM 1003 CG TYR A 61 8.226 2.199 -6.841 1.00 0.00 C ATOM 1004 CD1 TYR A 61 9.204 1.201 -6.734 1.00 0.00 C ATOM 1005 CD2 TYR A 61 8.452 3.311 -7.659 1.00 0.00 C ATOM 1006 CE1 TYR A 61 10.405 1.317 -7.444 1.00 0.00 C ATOM 1007 CE2 TYR A 61 9.653 3.428 -8.370 1.00 0.00 C ATOM 1008 CZ TYR A 61 10.629 2.431 -8.262 1.00 0.00 C ATOM 1009 OH TYR A 61 11.813 2.545 -8.963 1.00 0.00 O ATOM 0 H TYR A 61 5.183 1.945 -4.481 1.00 0.00 H new ATOM 0 HA TYR A 61 7.285 0.070 -5.358 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.125 1.786 -6.754 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.653 3.050 -5.661 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.031 0.342 -6.103 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.699 4.081 -7.742 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.158 0.548 -7.361 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.826 4.287 -9.001 1.00 0.00 H new ATOM 0 HH TYR A 61 11.807 3.376 -9.483 1.00 0.00 H new ATOM 1019 N VAL A 62 8.898 0.385 -3.541 1.00 0.00 N ATOM 1020 CA VAL A 62 9.997 0.612 -2.567 1.00 0.00 C ATOM 1021 C VAL A 62 10.930 -0.589 -2.579 1.00 0.00 C ATOM 1022 O VAL A 62 10.866 -1.433 -3.451 1.00 0.00 O ATOM 1023 CB VAL A 62 9.315 0.699 -1.198 1.00 0.00 C ATOM 1024 CG1 VAL A 62 8.320 1.857 -1.168 1.00 0.00 C ATOM 1025 CG2 VAL A 62 8.573 -0.610 -0.923 1.00 0.00 C ATOM 0 H VAL A 62 8.766 -0.587 -3.821 1.00 0.00 H new ATOM 0 HA VAL A 62 10.574 1.507 -2.800 1.00 0.00 H new ATOM 0 HB VAL A 62 10.075 0.869 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.845 1.903 -0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.845 2.793 -1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.559 1.703 -1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.085 -0.554 0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.822 -0.772 -1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.282 -1.438 -0.927 1.00 0.00 H new ATOM 1035 N TYR A 63 11.773 -0.691 -1.600 1.00 0.00 N ATOM 1036 CA TYR A 63 12.680 -1.862 -1.537 1.00 0.00 C ATOM 1037 C TYR A 63 12.631 -2.460 -0.138 1.00 0.00 C ATOM 1038 O TYR A 63 12.673 -1.759 0.853 1.00 0.00 O ATOM 1039 CB TYR A 63 14.076 -1.335 -1.845 1.00 0.00 C ATOM 1040 CG TYR A 63 14.988 -2.507 -2.120 1.00 0.00 C ATOM 1041 CD1 TYR A 63 15.231 -3.461 -1.123 1.00 0.00 C ATOM 1042 CD2 TYR A 63 15.586 -2.640 -3.376 1.00 0.00 C ATOM 1043 CE1 TYR A 63 16.076 -4.546 -1.386 1.00 0.00 C ATOM 1044 CE2 TYR A 63 16.429 -3.726 -3.640 1.00 0.00 C ATOM 1045 CZ TYR A 63 16.675 -4.678 -2.644 1.00 0.00 C ATOM 1046 OH TYR A 63 17.507 -5.748 -2.903 1.00 0.00 O ATOM 0 H TYR A 63 11.875 -0.017 -0.841 1.00 0.00 H new ATOM 0 HA TYR A 63 12.395 -2.641 -2.244 1.00 0.00 H new ATOM 0 HB2 TYR A 63 14.046 -0.669 -2.707 1.00 0.00 H new ATOM 0 HB3 TYR A 63 14.453 -0.752 -1.005 1.00 0.00 H new ATOM 0 HD1 TYR A 63 14.767 -3.360 -0.153 1.00 0.00 H new ATOM 0 HD2 TYR A 63 15.398 -1.904 -4.144 1.00 0.00 H new ATOM 0 HE1 TYR A 63 16.266 -5.281 -0.618 1.00 0.00 H new ATOM 0 HE2 TYR A 63 16.889 -3.829 -4.612 1.00 0.00 H new ATOM 0 HH TYR A 63 17.226 -6.518 -2.367 1.00 0.00 H new ATOM 1056 N ALA A 64 12.529 -3.748 -0.048 1.00 0.00 N ATOM 1057 CA ALA A 64 12.471 -4.389 1.287 1.00 0.00 C ATOM 1058 C ALA A 64 13.474 -5.543 1.357 1.00 0.00 C ATOM 1059 O ALA A 64 14.618 -5.400 0.974 1.00 0.00 O ATOM 1060 CB ALA A 64 11.038 -4.897 1.398 1.00 0.00 C ATOM 0 H ALA A 64 12.483 -4.387 -0.841 1.00 0.00 H new ATOM 0 HA ALA A 64 12.726 -3.709 2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.900 -5.390 2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 64 10.347 -4.058 1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.841 -5.607 0.595 1.00 0.00 H new ATOM 1066 N SER A 65 13.056 -6.685 1.834 1.00 0.00 N ATOM 1067 CA SER A 65 13.987 -7.845 1.913 1.00 0.00 C ATOM 1068 C SER A 65 13.786 -8.749 0.693 1.00 0.00 C ATOM 1069 O SER A 65 14.699 -9.407 0.237 1.00 0.00 O ATOM 1070 CB SER A 65 13.601 -8.579 3.197 1.00 0.00 C ATOM 1071 OG SER A 65 13.723 -9.980 2.992 1.00 0.00 O ATOM 0 H SER A 65 12.110 -6.864 2.172 1.00 0.00 H new ATOM 0 HA SER A 65 15.034 -7.542 1.923 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.245 -8.263 4.018 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.578 -8.329 3.479 1.00 0.00 H new ATOM 0 HG SER A 65 13.478 -10.454 3.814 1.00 0.00 H new ATOM 1077 N ASP A 66 12.592 -8.780 0.162 1.00 0.00 N ATOM 1078 CA ASP A 66 12.324 -9.635 -1.032 1.00 0.00 C ATOM 1079 C ASP A 66 11.486 -8.861 -2.058 1.00 0.00 C ATOM 1080 O ASP A 66 11.093 -9.390 -3.079 1.00 0.00 O ATOM 1081 CB ASP A 66 11.537 -10.830 -0.492 1.00 0.00 C ATOM 1082 CG ASP A 66 10.248 -10.338 0.167 1.00 0.00 C ATOM 1083 OD1 ASP A 66 10.288 -10.029 1.346 1.00 0.00 O ATOM 1084 OD2 ASP A 66 9.241 -10.279 -0.519 1.00 0.00 O ATOM 0 H ASP A 66 11.790 -8.250 0.504 1.00 0.00 H new ATOM 0 HA ASP A 66 13.240 -9.943 -1.536 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.303 -11.520 -1.302 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.140 -11.379 0.231 1.00 0.00 H new ATOM 1089 N LYS A 67 11.213 -7.612 -1.792 1.00 0.00 N ATOM 1090 CA LYS A 67 10.404 -6.797 -2.745 1.00 0.00 C ATOM 1091 C LYS A 67 11.276 -5.693 -3.349 1.00 0.00 C ATOM 1092 O LYS A 67 11.520 -4.670 -2.743 1.00 0.00 O ATOM 1093 CB LYS A 67 9.271 -6.222 -1.885 1.00 0.00 C ATOM 1094 CG LYS A 67 8.885 -4.809 -2.346 1.00 0.00 C ATOM 1095 CD LYS A 67 9.532 -3.785 -1.413 1.00 0.00 C ATOM 1096 CE LYS A 67 8.570 -3.438 -0.274 1.00 0.00 C ATOM 1097 NZ LYS A 67 8.073 -4.747 0.244 1.00 0.00 N ATOM 0 H LYS A 67 11.517 -7.119 -0.952 1.00 0.00 H new ATOM 0 HA LYS A 67 10.014 -7.371 -3.585 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.401 -6.876 -1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.582 -6.194 -0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.215 -4.645 -3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.801 -4.694 -2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.461 -4.186 -1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.790 -2.884 -1.970 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.077 -2.873 0.509 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.747 -2.819 -0.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.650 -4.610 1.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.356 -5.128 -0.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.866 -5.416 0.315 1.00 0.00 H new ATOM 1111 N LEU A 68 11.739 -5.897 -4.543 1.00 0.00 N ATOM 1112 CA LEU A 68 12.586 -4.865 -5.204 1.00 0.00 C ATOM 1113 C LEU A 68 11.746 -4.070 -6.202 1.00 0.00 C ATOM 1114 O LEU A 68 12.037 -4.051 -7.381 1.00 0.00 O ATOM 1115 CB LEU A 68 13.667 -5.654 -5.941 1.00 0.00 C ATOM 1116 CG LEU A 68 14.704 -6.163 -4.940 1.00 0.00 C ATOM 1117 CD1 LEU A 68 14.179 -7.427 -4.257 1.00 0.00 C ATOM 1118 CD2 LEU A 68 16.006 -6.487 -5.676 1.00 0.00 C ATOM 0 H LEU A 68 11.569 -6.737 -5.096 1.00 0.00 H new ATOM 0 HA LEU A 68 13.009 -4.156 -4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 68 13.219 -6.493 -6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.147 -5.022 -6.688 1.00 0.00 H new ATOM 0 HG LEU A 68 14.890 -5.395 -4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 68 14.919 -7.789 -3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 68 13.251 -7.199 -3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 68 13.992 -8.195 -5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 68 16.746 -6.850 -4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 68 15.818 -7.255 -6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 68 16.382 -5.587 -6.163 1.00 0.00 H new ATOM 1130 N PHE A 69 10.699 -3.422 -5.753 1.00 0.00 N ATOM 1131 CA PHE A 69 9.848 -2.651 -6.703 1.00 0.00 C ATOM 1132 C PHE A 69 8.554 -2.207 -6.012 1.00 0.00 C ATOM 1133 O PHE A 69 8.594 -1.424 -5.096 1.00 0.00 O ATOM 1134 CB PHE A 69 9.563 -3.600 -7.873 1.00 0.00 C ATOM 1135 CG PHE A 69 9.406 -5.026 -7.372 1.00 0.00 C ATOM 1136 CD1 PHE A 69 8.714 -5.289 -6.181 1.00 0.00 C ATOM 1137 CD2 PHE A 69 9.968 -6.084 -8.097 1.00 0.00 C ATOM 1138 CE1 PHE A 69 8.587 -6.606 -5.720 1.00 0.00 C ATOM 1139 CE2 PHE A 69 9.840 -7.399 -7.636 1.00 0.00 C ATOM 1140 CZ PHE A 69 9.149 -7.659 -6.447 1.00 0.00 C ATOM 0 H PHE A 69 10.401 -3.395 -4.778 1.00 0.00 H new ATOM 0 HA PHE A 69 10.340 -1.743 -7.052 1.00 0.00 H new ATOM 0 HB2 PHE A 69 8.656 -3.288 -8.390 1.00 0.00 H new ATOM 0 HB3 PHE A 69 10.376 -3.550 -8.597 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.279 -4.476 -5.619 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.502 -5.885 -9.014 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.054 -6.808 -4.802 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.274 -8.213 -8.197 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.050 -8.674 -6.091 1.00 0.00 H new ATOM 1150 N ARG A 70 7.406 -2.680 -6.428 1.00 0.00 N ATOM 1151 CA ARG A 70 6.157 -2.221 -5.756 1.00 0.00 C ATOM 1152 C ARG A 70 5.319 -3.374 -5.215 1.00 0.00 C ATOM 1153 O ARG A 70 5.375 -4.494 -5.682 1.00 0.00 O ATOM 1154 CB ARG A 70 5.360 -1.506 -6.843 1.00 0.00 C ATOM 1155 CG ARG A 70 4.134 -0.798 -6.230 1.00 0.00 C ATOM 1156 CD ARG A 70 3.408 -0.008 -7.326 1.00 0.00 C ATOM 1157 NE ARG A 70 3.395 -0.908 -8.514 1.00 0.00 N ATOM 1158 CZ ARG A 70 2.346 -1.640 -8.767 1.00 0.00 C ATOM 1159 NH1 ARG A 70 1.170 -1.083 -8.867 1.00 0.00 N ATOM 1160 NH2 ARG A 70 2.471 -2.930 -8.919 1.00 0.00 N ATOM 0 H ARG A 70 7.282 -3.350 -7.187 1.00 0.00 H new ATOM 0 HA ARG A 70 6.405 -1.591 -4.901 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.994 -0.778 -7.349 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.035 -2.223 -7.597 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.460 -1.531 -5.786 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.448 -0.128 -5.430 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.395 0.252 -7.018 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.925 0.926 -7.546 1.00 0.00 H new ATOM 0 HE ARG A 70 4.207 -0.951 -9.129 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.071 -0.075 -8.747 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.350 -1.656 -9.065 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.390 -3.366 -8.840 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.650 -3.502 -9.117 1.00 0.00 H new ATOM 1174 N ALA A 71 4.496 -3.056 -4.264 1.00 0.00 N ATOM 1175 CA ALA A 71 3.562 -4.049 -3.681 1.00 0.00 C ATOM 1176 C ALA A 71 2.158 -3.525 -3.960 1.00 0.00 C ATOM 1177 O ALA A 71 1.625 -2.725 -3.217 1.00 0.00 O ATOM 1178 CB ALA A 71 3.860 -4.069 -2.181 1.00 0.00 C ATOM 0 H ALA A 71 4.430 -2.124 -3.855 1.00 0.00 H new ATOM 0 HA ALA A 71 3.659 -5.056 -4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.202 -4.785 -1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.898 -4.360 -2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.693 -3.076 -1.764 1.00 0.00 H new ATOM 1184 N ASP A 72 1.576 -3.923 -5.054 1.00 0.00 N ATOM 1185 CA ASP A 72 0.233 -3.394 -5.411 1.00 0.00 C ATOM 1186 C ASP A 72 -0.828 -3.917 -4.455 1.00 0.00 C ATOM 1187 O ASP A 72 -1.541 -4.842 -4.764 1.00 0.00 O ATOM 1188 CB ASP A 72 -0.023 -3.900 -6.830 1.00 0.00 C ATOM 1189 CG ASP A 72 -1.394 -3.418 -7.309 1.00 0.00 C ATOM 1190 OD1 ASP A 72 -2.273 -3.270 -6.477 1.00 0.00 O ATOM 1191 OD2 ASP A 72 -1.542 -3.207 -8.502 1.00 0.00 O ATOM 0 H ASP A 72 1.971 -4.591 -5.716 1.00 0.00 H new ATOM 0 HA ASP A 72 0.193 -2.307 -5.348 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.756 -3.538 -7.502 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.018 -4.989 -6.851 1.00 0.00 H new ATOM 1196 N ILE A 73 -0.955 -3.316 -3.304 1.00 0.00 N ATOM 1197 CA ILE A 73 -1.991 -3.775 -2.339 1.00 0.00 C ATOM 1198 C ILE A 73 -3.373 -3.451 -2.905 1.00 0.00 C ATOM 1199 O ILE A 73 -3.732 -2.304 -3.079 1.00 0.00 O ATOM 1200 CB ILE A 73 -1.712 -2.983 -1.057 1.00 0.00 C ATOM 1201 CG1 ILE A 73 -0.662 -3.723 -0.226 1.00 0.00 C ATOM 1202 CG2 ILE A 73 -2.996 -2.833 -0.234 1.00 0.00 C ATOM 1203 CD1 ILE A 73 -1.293 -4.966 0.397 1.00 0.00 C ATOM 0 H ILE A 73 -0.387 -2.529 -2.991 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.964 -4.848 -2.150 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.346 -1.992 -1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.182 -4.006 -0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.273 -3.069 0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.783 -2.268 0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.746 -2.304 -0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.374 -3.820 0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.547 -5.495 0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.123 -4.670 1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.661 -5.622 -0.392 1.00 0.00 H new ATOM 1215 N SER A 74 -4.142 -4.456 -3.212 1.00 0.00 N ATOM 1216 CA SER A 74 -5.491 -4.208 -3.790 1.00 0.00 C ATOM 1217 C SER A 74 -6.583 -4.766 -2.873 1.00 0.00 C ATOM 1218 O SER A 74 -6.647 -5.955 -2.629 1.00 0.00 O ATOM 1219 CB SER A 74 -5.484 -4.967 -5.117 1.00 0.00 C ATOM 1220 OG SER A 74 -5.598 -4.041 -6.190 1.00 0.00 O ATOM 0 H SER A 74 -3.895 -5.438 -3.088 1.00 0.00 H new ATOM 0 HA SER A 74 -5.696 -3.145 -3.913 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.564 -5.543 -5.215 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.309 -5.678 -5.146 1.00 0.00 H new ATOM 0 HG SER A 74 -5.592 -4.525 -7.042 1.00 0.00 H new ATOM 1226 N GLU A 75 -7.446 -3.928 -2.367 1.00 0.00 N ATOM 1227 CA GLU A 75 -8.530 -4.436 -1.473 1.00 0.00 C ATOM 1228 C GLU A 75 -9.748 -3.516 -1.521 1.00 0.00 C ATOM 1229 O GLU A 75 -9.672 -2.349 -1.194 1.00 0.00 O ATOM 1230 CB GLU A 75 -7.924 -4.428 -0.070 1.00 0.00 C ATOM 1231 CG GLU A 75 -6.565 -5.132 -0.086 1.00 0.00 C ATOM 1232 CD GLU A 75 -6.050 -5.282 1.346 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -6.866 -5.255 2.254 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -4.849 -5.422 1.511 1.00 0.00 O ATOM 0 H GLU A 75 -7.450 -2.921 -2.531 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.869 -5.427 -1.774 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.808 -3.402 0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.595 -4.929 0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.657 -6.112 -0.555 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.854 -4.559 -0.681 1.00 0.00 H new ATOM 1241 N ASP A 76 -10.876 -4.037 -1.919 1.00 0.00 N ATOM 1242 CA ASP A 76 -12.102 -3.193 -1.975 1.00 0.00 C ATOM 1243 C ASP A 76 -12.605 -2.898 -0.558 1.00 0.00 C ATOM 1244 O ASP A 76 -11.829 -2.669 0.349 1.00 0.00 O ATOM 1245 CB ASP A 76 -13.114 -4.041 -2.731 1.00 0.00 C ATOM 1246 CG ASP A 76 -13.954 -3.145 -3.643 1.00 0.00 C ATOM 1247 OD1 ASP A 76 -13.714 -1.949 -3.652 1.00 0.00 O ATOM 1248 OD2 ASP A 76 -14.825 -3.671 -4.318 1.00 0.00 O ATOM 0 H ASP A 76 -11.001 -5.007 -2.207 1.00 0.00 H new ATOM 0 HA ASP A 76 -11.926 -2.231 -2.456 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -12.600 -4.799 -3.322 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.759 -4.569 -2.028 1.00 0.00 H new ATOM 1365 N LYS A 83 -9.133 -8.910 -1.686 1.00 0.00 N ATOM 1366 CA LYS A 83 -8.029 -8.590 -0.739 1.00 0.00 C ATOM 1367 C LYS A 83 -6.749 -9.281 -1.217 1.00 0.00 C ATOM 1368 O LYS A 83 -6.595 -10.478 -1.082 1.00 0.00 O ATOM 1369 CB LYS A 83 -8.478 -9.156 0.609 1.00 0.00 C ATOM 1370 CG LYS A 83 -9.510 -8.219 1.239 1.00 0.00 C ATOM 1371 CD LYS A 83 -10.888 -8.887 1.215 1.00 0.00 C ATOM 1372 CE LYS A 83 -10.991 -9.889 2.367 1.00 0.00 C ATOM 1373 NZ LYS A 83 -11.035 -11.225 1.710 1.00 0.00 N ATOM 0 HA LYS A 83 -7.824 -7.522 -0.670 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.908 -10.149 0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.620 -9.268 1.272 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.226 -7.984 2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.542 -7.276 0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.671 -8.133 1.304 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.041 -9.395 0.263 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.137 -9.807 3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.885 -9.713 2.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.468 -11.915 2.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.600 -11.165 0.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.068 -11.529 1.476 1.00 0.00 H new ATOM 1387 N LEU A 84 -5.841 -8.544 -1.795 1.00 0.00 N ATOM 1388 CA LEU A 84 -4.588 -9.171 -2.301 1.00 0.00 C ATOM 1389 C LEU A 84 -3.584 -8.093 -2.705 1.00 0.00 C ATOM 1390 O LEU A 84 -3.814 -6.915 -2.514 1.00 0.00 O ATOM 1391 CB LEU A 84 -5.029 -9.959 -3.534 1.00 0.00 C ATOM 1392 CG LEU A 84 -4.227 -11.256 -3.635 1.00 0.00 C ATOM 1393 CD1 LEU A 84 -4.361 -12.045 -2.331 1.00 0.00 C ATOM 1394 CD2 LEU A 84 -4.763 -12.097 -4.795 1.00 0.00 C ATOM 0 H LEU A 84 -5.912 -7.537 -1.939 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.104 -9.797 -1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.094 -10.183 -3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.882 -9.359 -4.432 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.177 -11.020 -3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.789 -12.970 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.980 -11.447 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.410 -12.281 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.192 -13.022 -4.868 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.813 -12.332 -4.620 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.667 -11.537 -5.725 1.00 0.00 H new ATOM 1406 N LEU A 85 -2.478 -8.481 -3.279 1.00 0.00 N ATOM 1407 CA LEU A 85 -1.482 -7.466 -3.707 1.00 0.00 C ATOM 1408 C LEU A 85 -0.454 -8.086 -4.661 1.00 0.00 C ATOM 1409 O LEU A 85 -0.515 -9.259 -4.975 1.00 0.00 O ATOM 1410 CB LEU A 85 -0.832 -6.966 -2.412 1.00 0.00 C ATOM 1411 CG LEU A 85 0.360 -7.840 -2.024 1.00 0.00 C ATOM 1412 CD1 LEU A 85 0.792 -7.483 -0.602 1.00 0.00 C ATOM 1413 CD2 LEU A 85 -0.039 -9.318 -2.076 1.00 0.00 C ATOM 0 H LEU A 85 -2.225 -9.451 -3.468 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.939 -6.644 -4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.504 -5.934 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.567 -6.969 -1.607 1.00 0.00 H new ATOM 0 HG LEU A 85 1.181 -7.667 -2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.643 -8.101 -0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.077 -6.432 -0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.035 -7.661 0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.815 -9.935 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.858 -9.498 -1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.358 -9.573 -3.086 1.00 0.00 H new ATOM 1425 N ARG A 86 0.480 -7.308 -5.139 1.00 0.00 N ATOM 1426 CA ARG A 86 1.493 -7.866 -6.089 1.00 0.00 C ATOM 1427 C ARG A 86 2.875 -7.251 -5.838 1.00 0.00 C ATOM 1428 O ARG A 86 3.032 -6.049 -5.796 1.00 0.00 O ATOM 1429 CB ARG A 86 0.996 -7.488 -7.490 1.00 0.00 C ATOM 1430 CG ARG A 86 -0.535 -7.500 -7.533 1.00 0.00 C ATOM 1431 CD ARG A 86 -1.005 -7.653 -8.982 1.00 0.00 C ATOM 1432 NE ARG A 86 -2.153 -8.600 -8.916 1.00 0.00 N ATOM 1433 CZ ARG A 86 -3.297 -8.205 -8.428 1.00 0.00 C ATOM 1434 NH1 ARG A 86 -4.163 -7.607 -9.199 1.00 0.00 N ATOM 1435 NH2 ARG A 86 -3.576 -8.410 -7.171 1.00 0.00 N ATOM 0 H ARG A 86 0.587 -6.318 -4.917 1.00 0.00 H new ATOM 0 HA ARG A 86 1.598 -8.944 -5.968 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.366 -6.499 -7.760 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.393 -8.188 -8.225 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.920 -8.320 -6.926 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.928 -6.577 -7.108 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.308 -6.694 -9.402 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.208 -8.042 -9.617 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.045 -9.557 -9.252 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.946 -7.448 -10.183 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.057 -7.298 -8.818 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.900 -8.879 -6.568 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.470 -8.101 -6.790 1.00 0.00 H new ATOM 1449 N PHE A 87 3.881 -8.074 -5.688 1.00 0.00 N ATOM 1450 CA PHE A 87 5.261 -7.549 -5.455 1.00 0.00 C ATOM 1451 C PHE A 87 6.095 -7.686 -6.731 1.00 0.00 C ATOM 1452 O PHE A 87 6.819 -8.647 -6.901 1.00 0.00 O ATOM 1453 CB PHE A 87 5.855 -8.432 -4.351 1.00 0.00 C ATOM 1454 CG PHE A 87 4.820 -8.695 -3.283 1.00 0.00 C ATOM 1455 CD1 PHE A 87 3.869 -9.707 -3.465 1.00 0.00 C ATOM 1456 CD2 PHE A 87 4.809 -7.928 -2.111 1.00 0.00 C ATOM 1457 CE1 PHE A 87 2.907 -9.950 -2.479 1.00 0.00 C ATOM 1458 CE2 PHE A 87 3.849 -8.174 -1.124 1.00 0.00 C ATOM 1459 CZ PHE A 87 2.899 -9.183 -1.309 1.00 0.00 C ATOM 0 H PHE A 87 3.806 -9.091 -5.717 1.00 0.00 H new ATOM 0 HA PHE A 87 5.252 -6.495 -5.176 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.199 -9.375 -4.775 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.725 -7.943 -3.913 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.878 -10.300 -4.367 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.541 -7.147 -1.970 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.172 -10.728 -2.621 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.842 -7.585 -0.219 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.157 -9.371 -0.547 1.00 0.00 H new ATOM 1469 N ASN A 88 6.018 -6.738 -7.632 1.00 0.00 N ATOM 1470 CA ASN A 88 6.841 -6.854 -8.876 1.00 0.00 C ATOM 1471 C ASN A 88 7.138 -5.483 -9.455 1.00 0.00 C ATOM 1472 O ASN A 88 7.135 -4.493 -8.760 1.00 0.00 O ATOM 1473 CB ASN A 88 6.052 -7.672 -9.901 1.00 0.00 C ATOM 1474 CG ASN A 88 4.733 -8.192 -9.319 1.00 0.00 C ATOM 1475 OD1 ASN A 88 4.730 -9.030 -8.440 1.00 0.00 O ATOM 1476 ND2 ASN A 88 3.607 -7.729 -9.784 1.00 0.00 N ATOM 0 H ASN A 88 5.434 -5.905 -7.564 1.00 0.00 H new ATOM 0 HA ASN A 88 7.787 -7.340 -8.637 1.00 0.00 H new ATOM 0 HB2 ASN A 88 5.846 -7.056 -10.776 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.657 -8.513 -10.239 1.00 0.00 H new ATOM 0 HD21 ASN A 88 2.722 -8.070 -9.410 1.00 0.00 H new ATOM 0 HD22 ASN A 88 3.611 -7.025 -10.522 1.00 0.00 H new ATOM 1483 N GLY A 89 7.424 -5.428 -10.726 1.00 0.00 N ATOM 1484 CA GLY A 89 7.769 -4.128 -11.349 1.00 0.00 C ATOM 1485 C GLY A 89 9.194 -3.813 -10.920 1.00 0.00 C ATOM 1486 O GLY A 89 9.471 -2.757 -10.387 1.00 0.00 O ATOM 0 H GLY A 89 7.433 -6.229 -11.357 1.00 0.00 H new ATOM 0 HA2 GLY A 89 7.694 -4.185 -12.435 1.00 0.00 H new ATOM 0 HA3 GLY A 89 7.083 -3.346 -11.023 1.00 0.00 H new ATOM 1490 N PRO A 90 10.047 -4.780 -11.133 1.00 0.00 N ATOM 1491 CA PRO A 90 11.462 -4.652 -10.726 1.00 0.00 C ATOM 1492 C PRO A 90 12.176 -3.570 -11.539 1.00 0.00 C ATOM 1493 O PRO A 90 11.990 -3.449 -12.734 1.00 0.00 O ATOM 1494 CB PRO A 90 12.046 -6.035 -11.002 1.00 0.00 C ATOM 1495 CG PRO A 90 11.155 -6.620 -12.046 1.00 0.00 C ATOM 1496 CD PRO A 90 9.780 -6.071 -11.780 1.00 0.00 C ATOM 0 HA PRO A 90 11.576 -4.351 -9.685 1.00 0.00 H new ATOM 0 HB2 PRO A 90 13.076 -5.967 -11.353 1.00 0.00 H new ATOM 0 HB3 PRO A 90 12.056 -6.648 -10.101 1.00 0.00 H new ATOM 0 HG2 PRO A 90 11.496 -6.349 -13.045 1.00 0.00 H new ATOM 0 HG3 PRO A 90 11.156 -7.709 -11.993 1.00 0.00 H new ATOM 0 HD2 PRO A 90 9.211 -5.948 -12.702 1.00 0.00 H new ATOM 0 HD3 PRO A 90 9.202 -6.732 -11.134 1.00 0.00 H new ATOM 1504 N VAL A 91 12.994 -2.781 -10.896 1.00 0.00 N ATOM 1505 CA VAL A 91 13.722 -1.707 -11.616 1.00 0.00 C ATOM 1506 C VAL A 91 14.781 -2.311 -12.542 1.00 0.00 C ATOM 1507 O VAL A 91 14.938 -3.521 -12.522 1.00 0.00 O ATOM 1508 CB VAL A 91 14.378 -0.894 -10.505 1.00 0.00 C ATOM 1509 CG1 VAL A 91 13.302 -0.177 -9.690 1.00 0.00 C ATOM 1510 CG2 VAL A 91 15.172 -1.829 -9.589 1.00 0.00 C ATOM 0 H VAL A 91 13.188 -2.838 -9.896 1.00 0.00 H new ATOM 0 HA VAL A 91 13.069 -1.102 -12.245 1.00 0.00 H new ATOM 0 HB VAL A 91 15.050 -0.157 -10.945 1.00 0.00 H new ATOM 0 HG11 VAL A 91 13.773 0.403 -8.897 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.737 0.490 -10.341 1.00 0.00 H new ATOM 0 HG13 VAL A 91 12.628 -0.912 -9.251 1.00 0.00 H new ATOM 0 HG21 VAL A 91 15.641 -1.248 -8.795 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.500 -2.566 -9.151 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.942 -2.339 -10.169 1.00 0.00 H new