USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 866 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 13 THR OG1 : rot 180:sc= 0.408 USER MOD Set 1.2: A 16 THR OG1 : rot 101:sc= 0.446 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 CYS SG : rot -160:sc= -1.46 USER MOD Single : A 12 HIS : no HE2:sc= 1.34 K(o=1.3,f=-4.9!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 20 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.3!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 83:sc= 1.11 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0296 USER MOD Single : A 36 THR OG1 : rot 75:sc= -1.03 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.322 K(o=-0.32,f=0.9) USER MOD Single : A 64 LYS NZ :NH3+ 167:sc= 0.51 (180deg=0.0511) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 82 MET CE :methyl -130:sc= -0.511 (180deg=-1.36) USER MOD Single : A 84 THR OG1 : rot 41:sc= 0.291 USER MOD Single : A 86 MET CE :methyl -154:sc= -0.894 (180deg=-2.22) USER MOD Single : A 89 LYS NZ :NH3+ -177:sc= 1.14 (180deg=1.1) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 162:sc= -0.0388 (180deg=-0.404) USER MOD Single : A 101 LYS NZ :NH3+ -174:sc= 0.521 (180deg=0.235) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 107 SER OG : rot 71:sc= 0.579 USER MOD Single : A 108 THR OG1 : rot 73:sc= 1.09 USER MOD Single : A 111 LYS NZ :NH3+ 168:sc= 0.305 (180deg=-0.732!) USER MOD Single : A 112 HIS : no HD1:sc= -2.45 K(o=-2.5,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 69 N GLY A 6 -4.560 0.309 -12.627 1.00 0.00 N ATOM 70 CA GLY A 6 -3.729 -0.745 -13.154 1.00 0.00 C ATOM 71 C GLY A 6 -2.259 -0.572 -12.850 1.00 0.00 C ATOM 72 O GLY A 6 -1.428 -1.317 -13.376 1.00 0.00 O ATOM 0 HA2 GLY A 6 -4.065 -1.698 -12.746 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.864 -0.795 -14.234 1.00 0.00 H new ATOM 76 N GLN A 7 -1.915 0.391 -12.022 1.00 0.00 N ATOM 77 CA GLN A 7 -0.524 0.578 -11.665 1.00 0.00 C ATOM 78 C GLN A 7 -0.326 0.806 -10.205 1.00 0.00 C ATOM 79 O GLN A 7 -1.173 1.374 -9.514 1.00 0.00 O ATOM 80 CB GLN A 7 0.170 1.672 -12.460 1.00 0.00 C ATOM 81 CG GLN A 7 -0.474 3.039 -12.369 1.00 0.00 C ATOM 82 CD GLN A 7 0.334 4.099 -13.078 1.00 0.00 C ATOM 83 OE1 GLN A 7 0.150 4.350 -14.262 1.00 0.00 O ATOM 84 NE2 GLN A 7 1.230 4.732 -12.363 1.00 0.00 N ATOM 0 H GLN A 7 -2.566 1.047 -11.589 1.00 0.00 H new ATOM 0 HA GLN A 7 -0.052 -0.368 -11.932 1.00 0.00 H new ATOM 0 HB2 GLN A 7 1.202 1.750 -12.117 1.00 0.00 H new ATOM 0 HB3 GLN A 7 0.204 1.373 -13.508 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -1.474 2.997 -12.801 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -0.591 3.314 -11.321 1.00 0.00 H new ATOM 0 HE21 GLN A 7 1.356 4.497 -11.379 1.00 0.00 H new ATOM 0 HE22 GLN A 7 1.802 5.461 -12.790 1.00 0.00 H new ATOM 93 N VAL A 8 0.784 0.338 -9.753 1.00 0.00 N ATOM 94 CA VAL A 8 1.203 0.456 -8.380 1.00 0.00 C ATOM 95 C VAL A 8 2.498 1.270 -8.338 1.00 0.00 C ATOM 96 O VAL A 8 3.357 1.101 -9.215 1.00 0.00 O ATOM 97 CB VAL A 8 1.464 -0.942 -7.768 1.00 0.00 C ATOM 98 CG1 VAL A 8 1.832 -0.830 -6.316 1.00 0.00 C ATOM 99 CG2 VAL A 8 0.263 -1.858 -7.937 1.00 0.00 C ATOM 0 H VAL A 8 1.456 -0.156 -10.340 1.00 0.00 H new ATOM 0 HA VAL A 8 0.418 0.947 -7.805 1.00 0.00 H new ATOM 0 HB VAL A 8 2.302 -1.382 -8.308 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.011 -1.825 -5.908 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.736 -0.229 -6.215 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.017 -0.355 -5.770 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.482 -2.830 -7.496 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.602 -1.420 -7.439 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.046 -1.982 -8.998 1.00 0.00 H new ATOM 109 N ILE A 9 2.654 2.142 -7.354 1.00 0.00 N ATOM 110 CA ILE A 9 3.859 2.922 -7.253 1.00 0.00 C ATOM 111 C ILE A 9 4.815 2.251 -6.276 1.00 0.00 C ATOM 112 O ILE A 9 4.532 2.146 -5.076 1.00 0.00 O ATOM 113 CB ILE A 9 3.602 4.407 -6.810 1.00 0.00 C ATOM 114 CG1 ILE A 9 2.725 5.173 -7.825 1.00 0.00 C ATOM 115 CG2 ILE A 9 4.925 5.149 -6.614 1.00 0.00 C ATOM 116 CD1 ILE A 9 1.267 4.742 -7.893 1.00 0.00 C ATOM 0 H ILE A 9 1.964 2.320 -6.625 1.00 0.00 H new ATOM 0 HA ILE A 9 4.295 2.966 -8.251 1.00 0.00 H new ATOM 0 HB ILE A 9 3.064 4.365 -5.863 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.760 6.234 -7.580 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.165 5.060 -8.816 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.724 6.176 -6.307 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.512 4.648 -5.844 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.482 5.152 -7.551 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.744 5.344 -8.636 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.211 3.690 -8.173 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.800 4.883 -6.918 1.00 0.00 H new ATOM 128 N ALA A 10 5.919 1.782 -6.778 1.00 0.00 N ATOM 129 CA ALA A 10 6.899 1.125 -5.957 1.00 0.00 C ATOM 130 C ALA A 10 7.932 2.129 -5.490 1.00 0.00 C ATOM 131 O ALA A 10 8.703 2.662 -6.289 1.00 0.00 O ATOM 132 CB ALA A 10 7.558 -0.023 -6.711 1.00 0.00 C ATOM 0 H ALA A 10 6.167 1.843 -7.765 1.00 0.00 H new ATOM 0 HA ALA A 10 6.400 0.703 -5.084 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.296 -0.504 -6.069 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.800 -0.750 -7.001 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.051 0.363 -7.603 1.00 0.00 H new ATOM 138 N CYS A 11 7.939 2.394 -4.213 1.00 0.00 N ATOM 139 CA CYS A 11 8.837 3.323 -3.654 1.00 0.00 C ATOM 140 C CYS A 11 9.963 2.572 -2.988 1.00 0.00 C ATOM 141 O CYS A 11 9.742 1.762 -2.088 1.00 0.00 O ATOM 142 CB CYS A 11 8.127 4.156 -2.621 1.00 0.00 C ATOM 143 SG CYS A 11 6.576 4.886 -3.195 1.00 0.00 S ATOM 0 H CYS A 11 7.310 1.959 -3.538 1.00 0.00 H new ATOM 0 HA CYS A 11 9.227 3.972 -4.438 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.922 3.536 -1.748 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.793 4.955 -2.295 1.00 0.00 H new ATOM 0 HG CYS A 11 6.259 5.889 -2.431 1.00 0.00 H new ATOM 149 N HIS A 12 11.142 2.803 -3.441 1.00 0.00 N ATOM 150 CA HIS A 12 12.314 2.206 -2.849 1.00 0.00 C ATOM 151 C HIS A 12 13.138 3.309 -2.230 1.00 0.00 C ATOM 152 O HIS A 12 14.243 3.084 -1.726 1.00 0.00 O ATOM 153 CB HIS A 12 13.148 1.448 -3.909 1.00 0.00 C ATOM 154 CG HIS A 12 12.442 0.277 -4.556 1.00 0.00 C ATOM 155 ND1 HIS A 12 12.838 -1.033 -4.402 1.00 0.00 N ATOM 156 CD2 HIS A 12 11.377 0.239 -5.391 1.00 0.00 C ATOM 157 CE1 HIS A 12 12.051 -1.815 -5.106 1.00 0.00 C ATOM 158 NE2 HIS A 12 11.157 -1.074 -5.714 1.00 0.00 N ATOM 0 H HIS A 12 11.336 3.412 -4.236 1.00 0.00 H new ATOM 0 HA HIS A 12 12.013 1.482 -2.091 1.00 0.00 H new ATOM 0 HB2 HIS A 12 13.444 2.151 -4.688 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.064 1.088 -3.440 1.00 0.00 H new ATOM 0 HD1 HIS A 12 13.621 -1.348 -3.830 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.806 1.087 -5.738 1.00 0.00 H new ATOM 0 HE1 HIS A 12 12.128 -2.890 -5.173 1.00 0.00 H new ATOM 167 N THR A 13 12.572 4.509 -2.243 1.00 0.00 N ATOM 168 CA THR A 13 13.271 5.687 -1.798 1.00 0.00 C ATOM 169 C THR A 13 12.333 6.600 -1.011 1.00 0.00 C ATOM 170 O THR A 13 11.104 6.542 -1.185 1.00 0.00 O ATOM 171 CB THR A 13 13.864 6.455 -3.006 1.00 0.00 C ATOM 172 OG1 THR A 13 12.839 6.709 -3.979 1.00 0.00 O ATOM 173 CG2 THR A 13 15.013 5.687 -3.658 1.00 0.00 C ATOM 0 H THR A 13 11.619 4.683 -2.563 1.00 0.00 H new ATOM 0 HA THR A 13 14.086 5.374 -1.146 1.00 0.00 H new ATOM 0 HB THR A 13 14.260 7.399 -2.633 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.222 7.196 -4.738 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.401 6.259 -4.501 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.807 5.532 -2.928 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.651 4.721 -4.011 1.00 0.00 H new ATOM 181 N VAL A 14 12.905 7.444 -0.161 1.00 0.00 N ATOM 182 CA VAL A 14 12.116 8.331 0.692 1.00 0.00 C ATOM 183 C VAL A 14 11.532 9.519 -0.104 1.00 0.00 C ATOM 184 O VAL A 14 10.487 10.064 0.255 1.00 0.00 O ATOM 185 CB VAL A 14 12.933 8.829 1.936 1.00 0.00 C ATOM 186 CG1 VAL A 14 14.143 9.657 1.536 1.00 0.00 C ATOM 187 CG2 VAL A 14 12.051 9.587 2.924 1.00 0.00 C ATOM 0 H VAL A 14 13.914 7.535 -0.042 1.00 0.00 H new ATOM 0 HA VAL A 14 11.279 7.743 1.068 1.00 0.00 H new ATOM 0 HB VAL A 14 13.306 7.937 2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 14 14.676 9.978 2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.807 9.055 0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 14 13.816 10.532 0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.653 9.915 3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.615 10.455 2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.254 8.932 3.277 1.00 0.00 H new ATOM 197 N GLU A 15 12.193 9.889 -1.192 1.00 0.00 N ATOM 198 CA GLU A 15 11.737 10.990 -2.046 1.00 0.00 C ATOM 199 C GLU A 15 10.393 10.651 -2.672 1.00 0.00 C ATOM 200 O GLU A 15 9.434 11.415 -2.561 1.00 0.00 O ATOM 201 CB GLU A 15 12.783 11.256 -3.131 1.00 0.00 C ATOM 202 CG GLU A 15 12.433 12.351 -4.133 1.00 0.00 C ATOM 203 CD GLU A 15 12.101 13.675 -3.491 1.00 0.00 C ATOM 204 OE1 GLU A 15 12.957 14.241 -2.793 1.00 0.00 O ATOM 205 OE2 GLU A 15 10.985 14.184 -3.711 1.00 0.00 O ATOM 0 H GLU A 15 13.053 9.443 -1.510 1.00 0.00 H new ATOM 0 HA GLU A 15 11.613 11.889 -1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.723 11.519 -2.647 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.955 10.329 -3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.271 12.488 -4.816 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.583 12.025 -4.733 1.00 0.00 H new ATOM 212 N THR A 16 10.330 9.492 -3.293 1.00 0.00 N ATOM 213 CA THR A 16 9.113 9.004 -3.908 1.00 0.00 C ATOM 214 C THR A 16 8.028 8.822 -2.836 1.00 0.00 C ATOM 215 O THR A 16 6.864 9.173 -3.042 1.00 0.00 O ATOM 216 CB THR A 16 9.397 7.671 -4.611 1.00 0.00 C ATOM 217 OG1 THR A 16 10.513 7.858 -5.498 1.00 0.00 O ATOM 218 CG2 THR A 16 8.194 7.206 -5.416 1.00 0.00 C ATOM 0 H THR A 16 11.124 8.859 -3.386 1.00 0.00 H new ATOM 0 HA THR A 16 8.759 9.726 -4.644 1.00 0.00 H new ATOM 0 HB THR A 16 9.616 6.913 -3.859 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.327 7.509 -5.078 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.426 6.259 -5.903 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.341 7.073 -4.751 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.952 7.953 -6.172 1.00 0.00 H new ATOM 226 N TRP A 17 8.449 8.298 -1.692 1.00 0.00 N ATOM 227 CA TRP A 17 7.591 8.119 -0.528 1.00 0.00 C ATOM 228 C TRP A 17 6.910 9.439 -0.121 1.00 0.00 C ATOM 229 O TRP A 17 5.681 9.509 -0.015 1.00 0.00 O ATOM 230 CB TRP A 17 8.438 7.546 0.622 1.00 0.00 C ATOM 231 CG TRP A 17 7.758 7.467 1.951 1.00 0.00 C ATOM 232 CD1 TRP A 17 8.149 8.093 3.098 1.00 0.00 C ATOM 233 CD2 TRP A 17 6.569 6.752 2.270 1.00 0.00 C ATOM 234 NE1 TRP A 17 7.291 7.792 4.116 1.00 0.00 N ATOM 235 CE2 TRP A 17 6.303 6.972 3.634 1.00 0.00 C ATOM 236 CE3 TRP A 17 5.705 5.946 1.538 1.00 0.00 C ATOM 237 CZ2 TRP A 17 5.208 6.409 4.277 1.00 0.00 C ATOM 238 CZ3 TRP A 17 4.622 5.397 2.174 1.00 0.00 C ATOM 239 CH2 TRP A 17 4.379 5.629 3.531 1.00 0.00 C ATOM 0 H TRP A 17 9.407 7.982 -1.545 1.00 0.00 H new ATOM 0 HA TRP A 17 6.790 7.421 -0.772 1.00 0.00 H new ATOM 0 HB2 TRP A 17 8.767 6.545 0.343 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.334 8.158 0.729 1.00 0.00 H new ATOM 0 HD1 TRP A 17 9.013 8.735 3.188 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.371 8.123 5.078 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.883 5.756 0.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 5.022 6.583 5.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.942 4.772 1.615 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.515 5.180 3.997 1.00 0.00 H new ATOM 250 N ASN A 18 7.710 10.478 0.073 1.00 0.00 N ATOM 251 CA ASN A 18 7.190 11.786 0.479 1.00 0.00 C ATOM 252 C ASN A 18 6.304 12.373 -0.619 1.00 0.00 C ATOM 253 O ASN A 18 5.212 12.890 -0.345 1.00 0.00 O ATOM 254 CB ASN A 18 8.337 12.763 0.769 1.00 0.00 C ATOM 255 CG ASN A 18 7.853 14.102 1.334 1.00 0.00 C ATOM 256 OD1 ASN A 18 6.859 14.171 2.074 1.00 0.00 O ATOM 257 ND2 ASN A 18 8.526 15.170 0.983 1.00 0.00 N ATOM 0 H ASN A 18 8.723 10.445 -0.043 1.00 0.00 H new ATOM 0 HA ASN A 18 6.602 11.642 1.386 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.028 12.304 1.477 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.895 12.943 -0.150 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.237 16.088 1.319 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.339 15.083 0.373 1.00 0.00 H new ATOM 264 N GLU A 19 6.776 12.268 -1.862 1.00 0.00 N ATOM 265 CA GLU A 19 6.077 12.805 -3.030 1.00 0.00 C ATOM 266 C GLU A 19 4.665 12.237 -3.151 1.00 0.00 C ATOM 267 O GLU A 19 3.699 12.989 -3.305 1.00 0.00 O ATOM 268 CB GLU A 19 6.875 12.506 -4.307 1.00 0.00 C ATOM 269 CG GLU A 19 6.231 13.024 -5.587 1.00 0.00 C ATOM 270 CD GLU A 19 7.050 12.719 -6.813 1.00 0.00 C ATOM 271 OE1 GLU A 19 8.003 13.463 -7.099 1.00 0.00 O ATOM 272 OE2 GLU A 19 6.757 11.735 -7.516 1.00 0.00 O ATOM 0 H GLU A 19 7.657 11.806 -2.088 1.00 0.00 H new ATOM 0 HA GLU A 19 5.993 13.884 -2.900 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.868 12.944 -4.211 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.009 11.428 -4.393 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.241 12.580 -5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.090 14.102 -5.508 1.00 0.00 H new ATOM 279 N GLN A 20 4.545 10.924 -3.040 1.00 0.00 N ATOM 280 CA GLN A 20 3.289 10.274 -3.163 1.00 0.00 C ATOM 281 C GLN A 20 2.328 10.641 -2.056 1.00 0.00 C ATOM 282 O GLN A 20 1.145 10.825 -2.303 1.00 0.00 O ATOM 283 CB GLN A 20 3.482 8.800 -3.240 1.00 0.00 C ATOM 284 CG GLN A 20 4.088 8.315 -4.545 1.00 0.00 C ATOM 285 CD GLN A 20 3.217 8.643 -5.751 1.00 0.00 C ATOM 286 OE1 GLN A 20 1.992 8.711 -5.658 1.00 0.00 O ATOM 287 NE2 GLN A 20 3.832 8.841 -6.880 1.00 0.00 N ATOM 0 H GLN A 20 5.328 10.295 -2.862 1.00 0.00 H new ATOM 0 HA GLN A 20 2.832 10.623 -4.089 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.124 8.486 -2.417 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.518 8.311 -3.097 1.00 0.00 H new ATOM 0 HG2 GLN A 20 5.070 8.769 -4.676 1.00 0.00 H new ATOM 0 HG3 GLN A 20 4.239 7.237 -4.493 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.849 8.778 -6.925 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.297 9.060 -7.721 1.00 0.00 H new ATOM 296 N LEU A 21 2.828 10.772 -0.847 1.00 0.00 N ATOM 297 CA LEU A 21 2.014 11.119 0.248 1.00 0.00 C ATOM 298 C LEU A 21 1.523 12.534 0.153 1.00 0.00 C ATOM 299 O LEU A 21 0.344 12.787 0.350 1.00 0.00 O ATOM 300 CB LEU A 21 2.754 10.915 1.521 1.00 0.00 C ATOM 301 CG LEU A 21 3.098 9.488 1.930 1.00 0.00 C ATOM 302 CD1 LEU A 21 3.829 9.505 3.257 1.00 0.00 C ATOM 303 CD2 LEU A 21 1.841 8.625 2.027 1.00 0.00 C ATOM 0 H LEU A 21 3.813 10.637 -0.617 1.00 0.00 H new ATOM 0 HA LEU A 21 1.141 10.467 0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.685 11.478 1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.166 11.359 2.324 1.00 0.00 H new ATOM 0 HG LEU A 21 3.742 9.052 1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.075 8.484 3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.746 10.086 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.192 9.957 4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.117 7.612 2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.166 9.047 2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.342 8.599 1.058 1.00 0.00 H new ATOM 315 N GLN A 22 2.416 13.451 -0.152 1.00 0.00 N ATOM 316 CA GLN A 22 2.052 14.844 -0.285 1.00 0.00 C ATOM 317 C GLN A 22 1.011 14.997 -1.390 1.00 0.00 C ATOM 318 O GLN A 22 0.023 15.727 -1.239 1.00 0.00 O ATOM 319 CB GLN A 22 3.289 15.693 -0.566 1.00 0.00 C ATOM 320 CG GLN A 22 3.024 17.185 -0.633 1.00 0.00 C ATOM 321 CD GLN A 22 4.292 17.973 -0.852 1.00 0.00 C ATOM 322 OE1 GLN A 22 4.963 18.365 0.105 1.00 0.00 O ATOM 323 NE2 GLN A 22 4.629 18.222 -2.089 1.00 0.00 N ATOM 0 H GLN A 22 3.404 13.255 -0.313 1.00 0.00 H new ATOM 0 HA GLN A 22 1.617 15.196 0.650 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.029 15.503 0.211 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.728 15.372 -1.510 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.323 17.393 -1.441 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.549 17.511 0.292 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.048 17.881 -2.855 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.473 18.758 -2.290 1.00 0.00 H new ATOM 332 N LYS A 23 1.217 14.266 -2.473 1.00 0.00 N ATOM 333 CA LYS A 23 0.307 14.263 -3.591 1.00 0.00 C ATOM 334 C LYS A 23 -1.046 13.658 -3.193 1.00 0.00 C ATOM 335 O LYS A 23 -2.095 14.256 -3.452 1.00 0.00 O ATOM 336 CB LYS A 23 0.909 13.489 -4.767 1.00 0.00 C ATOM 337 CG LYS A 23 0.035 13.452 -6.008 1.00 0.00 C ATOM 338 CD LYS A 23 0.684 12.636 -7.108 1.00 0.00 C ATOM 339 CE LYS A 23 -0.180 12.609 -8.351 1.00 0.00 C ATOM 340 NZ LYS A 23 0.429 11.816 -9.428 1.00 0.00 N ATOM 0 H LYS A 23 2.026 13.657 -2.595 1.00 0.00 H new ATOM 0 HA LYS A 23 0.143 15.296 -3.898 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.869 13.936 -5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.109 12.466 -4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.937 13.025 -5.760 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.144 14.468 -6.361 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.660 13.057 -7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.854 11.618 -6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.157 12.195 -8.104 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.345 13.628 -8.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.195 11.824 -10.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.350 12.226 -9.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.563 10.837 -9.105 1.00 0.00 H new ATOM 354 N ALA A 24 -1.025 12.487 -2.532 1.00 0.00 N ATOM 355 CA ALA A 24 -2.262 11.794 -2.172 1.00 0.00 C ATOM 356 C ALA A 24 -3.025 12.548 -1.105 1.00 0.00 C ATOM 357 O ALA A 24 -4.253 12.523 -1.071 1.00 0.00 O ATOM 358 CB ALA A 24 -1.978 10.371 -1.714 1.00 0.00 C ATOM 0 H ALA A 24 -0.172 12.010 -2.241 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.883 11.751 -3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.915 9.879 -1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.491 9.820 -2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.324 10.393 -0.842 1.00 0.00 H new ATOM 364 N ASN A 25 -2.294 13.225 -0.245 1.00 0.00 N ATOM 365 CA ASN A 25 -2.879 14.002 0.836 1.00 0.00 C ATOM 366 C ASN A 25 -3.625 15.169 0.243 1.00 0.00 C ATOM 367 O ASN A 25 -4.806 15.378 0.514 1.00 0.00 O ATOM 368 CB ASN A 25 -1.777 14.549 1.733 1.00 0.00 C ATOM 369 CG ASN A 25 -2.301 15.121 3.038 1.00 0.00 C ATOM 370 OD1 ASN A 25 -2.646 16.287 3.120 1.00 0.00 O ATOM 371 ND2 ASN A 25 -2.336 14.307 4.068 1.00 0.00 N ATOM 0 H ASN A 25 -1.275 13.254 -0.273 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.548 13.367 1.417 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.066 13.752 1.952 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.231 15.325 1.196 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.660 14.645 4.974 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.039 13.337 3.962 1.00 0.00 H new ATOM 378 N GLU A 26 -2.917 15.918 -0.584 1.00 0.00 N ATOM 379 CA GLU A 26 -3.469 17.084 -1.276 1.00 0.00 C ATOM 380 C GLU A 26 -4.655 16.699 -2.175 1.00 0.00 C ATOM 381 O GLU A 26 -5.667 17.407 -2.225 1.00 0.00 O ATOM 382 CB GLU A 26 -2.387 17.780 -2.108 1.00 0.00 C ATOM 383 CG GLU A 26 -2.889 18.991 -2.878 1.00 0.00 C ATOM 384 CD GLU A 26 -1.820 19.648 -3.698 1.00 0.00 C ATOM 385 OE1 GLU A 26 -1.571 19.201 -4.836 1.00 0.00 O ATOM 386 OE2 GLU A 26 -1.222 20.644 -3.228 1.00 0.00 O ATOM 0 H GLU A 26 -1.936 15.739 -0.800 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.832 17.774 -0.514 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.578 18.091 -1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.966 17.063 -2.812 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.705 18.686 -3.533 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.298 19.717 -2.176 1.00 0.00 H new ATOM 393 N SER A 27 -4.536 15.578 -2.854 1.00 0.00 N ATOM 394 CA SER A 27 -5.568 15.136 -3.760 1.00 0.00 C ATOM 395 C SER A 27 -6.726 14.470 -3.014 1.00 0.00 C ATOM 396 O SER A 27 -7.794 14.248 -3.587 1.00 0.00 O ATOM 397 CB SER A 27 -4.968 14.163 -4.759 1.00 0.00 C ATOM 398 OG SER A 27 -3.881 14.755 -5.463 1.00 0.00 O ATOM 0 H SER A 27 -3.730 14.956 -2.793 1.00 0.00 H new ATOM 0 HA SER A 27 -5.968 16.007 -4.278 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.624 13.269 -4.239 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.734 13.846 -5.467 1.00 0.00 H new ATOM 0 HG SER A 27 -3.066 14.687 -4.923 1.00 0.00 H new ATOM 404 N LYS A 28 -6.513 14.197 -1.715 1.00 0.00 N ATOM 405 CA LYS A 28 -7.497 13.523 -0.865 1.00 0.00 C ATOM 406 C LYS A 28 -7.859 12.158 -1.437 1.00 0.00 C ATOM 407 O LYS A 28 -8.998 11.699 -1.345 1.00 0.00 O ATOM 408 CB LYS A 28 -8.724 14.383 -0.663 1.00 0.00 C ATOM 409 CG LYS A 28 -8.448 15.685 0.065 1.00 0.00 C ATOM 410 CD LYS A 28 -9.719 16.484 0.260 1.00 0.00 C ATOM 411 CE LYS A 28 -9.439 17.785 0.983 1.00 0.00 C ATOM 412 NZ LYS A 28 -10.666 18.581 1.167 1.00 0.00 N ATOM 0 H LYS A 28 -5.650 14.440 -1.228 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.047 13.364 0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.163 14.607 -1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.466 13.815 -0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.996 15.474 1.034 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.728 16.275 -0.501 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.173 16.693 -0.709 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.439 15.896 0.829 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.994 17.573 1.955 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.710 18.366 0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.435 19.464 1.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.077 18.805 0.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.352 18.036 1.727 1.00 0.00 H new ATOM 426 N THR A 29 -6.873 11.514 -1.985 1.00 0.00 N ATOM 427 CA THR A 29 -7.005 10.207 -2.555 1.00 0.00 C ATOM 428 C THR A 29 -6.796 9.184 -1.448 1.00 0.00 C ATOM 429 O THR A 29 -6.013 9.414 -0.510 1.00 0.00 O ATOM 430 CB THR A 29 -5.933 9.990 -3.620 1.00 0.00 C ATOM 431 OG1 THR A 29 -5.903 11.122 -4.503 1.00 0.00 O ATOM 432 CG2 THR A 29 -6.215 8.740 -4.442 1.00 0.00 C ATOM 0 H THR A 29 -5.929 11.894 -2.050 1.00 0.00 H new ATOM 0 HA THR A 29 -7.991 10.103 -3.008 1.00 0.00 H new ATOM 0 HB THR A 29 -4.975 9.869 -3.114 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.214 10.986 -5.187 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.434 8.613 -5.192 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.233 7.870 -3.786 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.180 8.841 -4.938 1.00 0.00 H new ATOM 440 N LEU A 30 -7.496 8.108 -1.523 1.00 0.00 N ATOM 441 CA LEU A 30 -7.364 7.055 -0.553 1.00 0.00 C ATOM 442 C LEU A 30 -6.087 6.303 -0.939 1.00 0.00 C ATOM 443 O LEU A 30 -5.902 5.978 -2.093 1.00 0.00 O ATOM 444 CB LEU A 30 -8.634 6.152 -0.597 1.00 0.00 C ATOM 445 CG LEU A 30 -8.830 5.048 0.484 1.00 0.00 C ATOM 446 CD1 LEU A 30 -10.205 4.435 0.332 1.00 0.00 C ATOM 447 CD2 LEU A 30 -7.785 3.940 0.391 1.00 0.00 C ATOM 0 H LEU A 30 -8.180 7.923 -2.256 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.286 7.418 0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.503 6.809 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.653 5.662 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.719 5.528 1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.344 3.662 1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.964 5.207 0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.299 3.994 -0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.971 3.199 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.846 3.463 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.791 4.366 0.526 1.00 0.00 H new ATOM 459 N VAL A 31 -5.216 6.054 -0.009 1.00 0.00 N ATOM 460 CA VAL A 31 -3.941 5.476 -0.350 1.00 0.00 C ATOM 461 C VAL A 31 -3.637 4.205 0.450 1.00 0.00 C ATOM 462 O VAL A 31 -3.906 4.132 1.658 1.00 0.00 O ATOM 463 CB VAL A 31 -2.801 6.539 -0.211 1.00 0.00 C ATOM 464 CG1 VAL A 31 -2.708 7.088 1.201 1.00 0.00 C ATOM 465 CG2 VAL A 31 -1.461 5.998 -0.673 1.00 0.00 C ATOM 0 H VAL A 31 -5.357 6.238 0.984 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.993 5.167 -1.394 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.066 7.366 -0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.904 7.822 1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.652 7.563 1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.501 6.273 1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.699 6.769 -0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.192 5.130 -0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.528 5.706 -1.721 1.00 0.00 H new ATOM 475 N VAL A 32 -3.117 3.209 -0.237 1.00 0.00 N ATOM 476 CA VAL A 32 -2.717 1.977 0.378 1.00 0.00 C ATOM 477 C VAL A 32 -1.206 1.815 0.234 1.00 0.00 C ATOM 478 O VAL A 32 -0.658 1.914 -0.867 1.00 0.00 O ATOM 479 CB VAL A 32 -3.471 0.735 -0.219 1.00 0.00 C ATOM 480 CG1 VAL A 32 -3.167 0.501 -1.681 1.00 0.00 C ATOM 481 CG2 VAL A 32 -3.241 -0.518 0.610 1.00 0.00 C ATOM 0 H VAL A 32 -2.962 3.240 -1.245 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.987 2.021 1.433 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.533 0.975 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.719 -0.371 -2.032 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.465 1.376 -2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.098 0.329 -1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.780 -1.354 0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.175 -0.746 0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.603 -0.354 1.625 1.00 0.00 H new ATOM 491 N VAL A 33 -0.547 1.610 1.323 1.00 0.00 N ATOM 492 CA VAL A 33 0.882 1.477 1.328 1.00 0.00 C ATOM 493 C VAL A 33 1.278 0.142 1.909 1.00 0.00 C ATOM 494 O VAL A 33 1.007 -0.131 3.065 1.00 0.00 O ATOM 495 CB VAL A 33 1.544 2.593 2.171 1.00 0.00 C ATOM 496 CG1 VAL A 33 3.046 2.420 2.186 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.171 3.975 1.646 1.00 0.00 C ATOM 0 H VAL A 33 -0.980 1.528 2.243 1.00 0.00 H new ATOM 0 HA VAL A 33 1.222 1.556 0.296 1.00 0.00 H new ATOM 0 HB VAL A 33 1.171 2.511 3.192 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.498 3.212 2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.296 1.452 2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.428 2.471 1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.651 4.739 2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.506 4.075 0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.089 4.101 1.690 1.00 0.00 H new ATOM 507 N ASP A 34 1.889 -0.683 1.117 1.00 0.00 N ATOM 508 CA ASP A 34 2.377 -1.951 1.606 1.00 0.00 C ATOM 509 C ASP A 34 3.883 -1.936 1.721 1.00 0.00 C ATOM 510 O ASP A 34 4.593 -1.701 0.734 1.00 0.00 O ATOM 511 CB ASP A 34 1.919 -3.111 0.734 1.00 0.00 C ATOM 512 CG ASP A 34 2.516 -4.432 1.182 1.00 0.00 C ATOM 513 OD1 ASP A 34 2.042 -5.007 2.150 1.00 0.00 O ATOM 514 OD2 ASP A 34 3.463 -4.905 0.527 1.00 0.00 O ATOM 0 H ASP A 34 2.066 -0.509 0.128 1.00 0.00 H new ATOM 0 HA ASP A 34 1.952 -2.100 2.598 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.831 -3.177 0.762 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.201 -2.919 -0.301 1.00 0.00 H new ATOM 519 N PHE A 35 4.361 -2.146 2.915 1.00 0.00 N ATOM 520 CA PHE A 35 5.759 -2.191 3.197 1.00 0.00 C ATOM 521 C PHE A 35 6.223 -3.630 3.093 1.00 0.00 C ATOM 522 O PHE A 35 5.758 -4.499 3.848 1.00 0.00 O ATOM 523 CB PHE A 35 6.018 -1.678 4.604 1.00 0.00 C ATOM 524 CG PHE A 35 5.617 -0.248 4.859 1.00 0.00 C ATOM 525 CD1 PHE A 35 4.344 0.062 5.319 1.00 0.00 C ATOM 526 CD2 PHE A 35 6.519 0.784 4.654 1.00 0.00 C ATOM 527 CE1 PHE A 35 3.983 1.371 5.568 1.00 0.00 C ATOM 528 CE2 PHE A 35 6.163 2.094 4.900 1.00 0.00 C ATOM 529 CZ PHE A 35 4.893 2.390 5.359 1.00 0.00 C ATOM 0 H PHE A 35 3.772 -2.293 3.735 1.00 0.00 H new ATOM 0 HA PHE A 35 6.301 -1.566 2.487 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.486 -2.317 5.308 1.00 0.00 H new ATOM 0 HB3 PHE A 35 7.081 -1.783 4.820 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.628 -0.730 5.484 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.513 0.560 4.297 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.990 1.599 5.926 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.876 2.888 4.734 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.613 3.415 5.554 1.00 0.00 H new ATOM 539 N THR A 36 7.121 -3.887 2.186 1.00 0.00 N ATOM 540 CA THR A 36 7.554 -5.221 1.934 1.00 0.00 C ATOM 541 C THR A 36 8.948 -5.195 1.299 1.00 0.00 C ATOM 542 O THR A 36 9.482 -4.140 1.047 1.00 0.00 O ATOM 543 CB THR A 36 6.554 -5.921 0.984 1.00 0.00 C ATOM 544 OG1 THR A 36 6.860 -7.303 0.889 1.00 0.00 O ATOM 545 CG2 THR A 36 6.604 -5.300 -0.410 1.00 0.00 C ATOM 0 H THR A 36 7.569 -3.178 1.606 1.00 0.00 H new ATOM 0 HA THR A 36 7.599 -5.773 2.873 1.00 0.00 H new ATOM 0 HB THR A 36 5.552 -5.792 1.393 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.580 -7.757 1.711 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.892 -5.808 -1.061 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.347 -4.243 -0.347 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.609 -5.405 -0.819 1.00 0.00 H new ATOM 553 N ALA A 37 9.511 -6.344 1.046 1.00 0.00 N ATOM 554 CA ALA A 37 10.786 -6.454 0.380 1.00 0.00 C ATOM 555 C ALA A 37 10.647 -7.451 -0.744 1.00 0.00 C ATOM 556 O ALA A 37 9.928 -8.450 -0.598 1.00 0.00 O ATOM 557 CB ALA A 37 11.870 -6.892 1.350 1.00 0.00 C ATOM 0 H ALA A 37 9.096 -7.241 1.298 1.00 0.00 H new ATOM 0 HA ALA A 37 11.078 -5.481 -0.016 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.821 -6.967 0.823 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.957 -6.160 2.153 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.611 -7.863 1.771 1.00 0.00 H new ATOM 563 N SER A 38 11.318 -7.201 -1.840 1.00 0.00 N ATOM 564 CA SER A 38 11.219 -8.047 -3.022 1.00 0.00 C ATOM 565 C SER A 38 11.735 -9.488 -2.747 1.00 0.00 C ATOM 566 O SER A 38 11.308 -10.444 -3.397 1.00 0.00 O ATOM 567 CB SER A 38 11.957 -7.383 -4.207 1.00 0.00 C ATOM 568 OG SER A 38 11.788 -8.105 -5.426 1.00 0.00 O ATOM 0 H SER A 38 11.950 -6.408 -1.947 1.00 0.00 H new ATOM 0 HA SER A 38 10.167 -8.147 -3.288 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.589 -6.365 -4.337 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.020 -7.310 -3.975 1.00 0.00 H new ATOM 0 HG SER A 38 12.270 -7.648 -6.146 1.00 0.00 H new ATOM 574 N TRP A 39 12.615 -9.641 -1.756 1.00 0.00 N ATOM 575 CA TRP A 39 13.161 -10.955 -1.411 1.00 0.00 C ATOM 576 C TRP A 39 12.222 -11.765 -0.503 1.00 0.00 C ATOM 577 O TRP A 39 12.563 -12.867 -0.061 1.00 0.00 O ATOM 578 CB TRP A 39 14.588 -10.847 -0.799 1.00 0.00 C ATOM 579 CG TRP A 39 14.731 -9.974 0.427 1.00 0.00 C ATOM 580 CD1 TRP A 39 15.205 -8.711 0.451 1.00 0.00 C ATOM 581 CD2 TRP A 39 14.424 -10.308 1.796 1.00 0.00 C ATOM 582 NE1 TRP A 39 15.217 -8.224 1.732 1.00 0.00 N ATOM 583 CE2 TRP A 39 14.742 -9.181 2.576 1.00 0.00 C ATOM 584 CE3 TRP A 39 13.912 -11.442 2.436 1.00 0.00 C ATOM 585 CZ2 TRP A 39 14.565 -9.152 3.955 1.00 0.00 C ATOM 586 CZ3 TRP A 39 13.740 -11.409 3.805 1.00 0.00 C ATOM 587 CH2 TRP A 39 14.065 -10.272 4.550 1.00 0.00 C ATOM 0 H TRP A 39 12.964 -8.875 -1.180 1.00 0.00 H new ATOM 0 HA TRP A 39 13.245 -11.506 -2.348 1.00 0.00 H new ATOM 0 HB2 TRP A 39 14.927 -11.851 -0.544 1.00 0.00 H new ATOM 0 HB3 TRP A 39 15.261 -10.469 -1.568 1.00 0.00 H new ATOM 0 HD1 TRP A 39 15.530 -8.160 -0.419 1.00 0.00 H new ATOM 0 HE1 TRP A 39 15.531 -7.294 2.009 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.656 -12.326 1.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 14.814 -8.275 4.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.347 -12.279 4.310 1.00 0.00 H new ATOM 0 HH2 TRP A 39 13.917 -10.281 5.620 1.00 0.00 H new ATOM 598 N CYS A 40 11.050 -11.242 -0.253 1.00 0.00 N ATOM 599 CA CYS A 40 10.084 -11.904 0.596 1.00 0.00 C ATOM 600 C CYS A 40 9.137 -12.783 -0.237 1.00 0.00 C ATOM 601 O CYS A 40 8.455 -12.298 -1.147 1.00 0.00 O ATOM 602 CB CYS A 40 9.307 -10.859 1.394 1.00 0.00 C ATOM 603 SG CYS A 40 7.973 -11.517 2.439 1.00 0.00 S ATOM 0 H CYS A 40 10.735 -10.348 -0.629 1.00 0.00 H new ATOM 0 HA CYS A 40 10.609 -12.559 1.292 1.00 0.00 H new ATOM 0 HB2 CYS A 40 10.007 -10.314 2.027 1.00 0.00 H new ATOM 0 HB3 CYS A 40 8.879 -10.138 0.698 1.00 0.00 H new ATOM 608 N GLY A 41 9.092 -14.068 0.104 1.00 0.00 N ATOM 609 CA GLY A 41 8.276 -15.050 -0.615 1.00 0.00 C ATOM 610 C GLY A 41 6.770 -14.811 -0.499 1.00 0.00 C ATOM 611 O GLY A 41 6.112 -14.547 -1.512 1.00 0.00 O ATOM 0 H GLY A 41 9.618 -14.460 0.885 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.555 -15.038 -1.669 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.506 -16.046 -0.236 1.00 0.00 H new ATOM 615 N PRO A 42 6.182 -14.887 0.735 1.00 0.00 N ATOM 616 CA PRO A 42 4.739 -14.659 0.950 1.00 0.00 C ATOM 617 C PRO A 42 4.308 -13.285 0.439 1.00 0.00 C ATOM 618 O PRO A 42 3.176 -13.088 -0.002 1.00 0.00 O ATOM 619 CB PRO A 42 4.571 -14.743 2.481 1.00 0.00 C ATOM 620 CG PRO A 42 5.954 -14.625 3.033 1.00 0.00 C ATOM 621 CD PRO A 42 6.861 -15.219 2.000 1.00 0.00 C ATOM 0 HA PRO A 42 4.125 -15.382 0.413 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.930 -13.943 2.851 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.108 -15.685 2.775 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.210 -13.583 3.225 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.042 -15.155 3.981 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.862 -14.789 2.046 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.970 -16.296 2.129 1.00 0.00 H new ATOM 629 N CYS A 43 5.228 -12.354 0.492 1.00 0.00 N ATOM 630 CA CYS A 43 5.004 -11.009 0.023 1.00 0.00 C ATOM 631 C CYS A 43 4.838 -10.987 -1.497 1.00 0.00 C ATOM 632 O CYS A 43 4.015 -10.253 -2.026 1.00 0.00 O ATOM 633 CB CYS A 43 6.167 -10.150 0.423 1.00 0.00 C ATOM 634 SG CYS A 43 6.496 -10.154 2.215 1.00 0.00 S ATOM 0 H CYS A 43 6.164 -12.510 0.866 1.00 0.00 H new ATOM 0 HA CYS A 43 4.088 -10.624 0.471 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.058 -10.493 -0.102 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.980 -9.126 0.099 1.00 0.00 H new ATOM 639 N ARG A 44 5.610 -11.799 -2.193 1.00 0.00 N ATOM 640 CA ARG A 44 5.491 -11.893 -3.635 1.00 0.00 C ATOM 641 C ARG A 44 4.170 -12.605 -3.939 1.00 0.00 C ATOM 642 O ARG A 44 3.462 -12.260 -4.873 1.00 0.00 O ATOM 643 CB ARG A 44 6.712 -12.674 -4.203 1.00 0.00 C ATOM 644 CG ARG A 44 6.881 -12.709 -5.744 1.00 0.00 C ATOM 645 CD ARG A 44 5.766 -13.453 -6.478 1.00 0.00 C ATOM 646 NE ARG A 44 5.621 -14.845 -6.020 1.00 0.00 N ATOM 647 CZ ARG A 44 4.502 -15.584 -6.154 1.00 0.00 C ATOM 648 NH1 ARG A 44 3.405 -15.053 -6.721 1.00 0.00 N ATOM 649 NH2 ARG A 44 4.480 -16.835 -5.712 1.00 0.00 N ATOM 0 H ARG A 44 6.324 -12.402 -1.785 1.00 0.00 H new ATOM 0 HA ARG A 44 5.487 -10.910 -4.105 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.617 -12.243 -3.774 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.649 -13.702 -3.847 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.927 -11.686 -6.117 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.835 -13.179 -5.983 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.824 -12.925 -6.331 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.972 -13.446 -7.548 1.00 0.00 H new ATOM 0 HE ARG A 44 6.425 -15.281 -5.569 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.418 -14.088 -7.051 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.560 -15.615 -6.821 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.309 -17.235 -5.272 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.634 -17.396 -5.812 1.00 0.00 H new ATOM 663 N PHE A 45 3.848 -13.572 -3.111 1.00 0.00 N ATOM 664 CA PHE A 45 2.634 -14.359 -3.242 1.00 0.00 C ATOM 665 C PHE A 45 1.359 -13.500 -3.095 1.00 0.00 C ATOM 666 O PHE A 45 0.339 -13.776 -3.732 1.00 0.00 O ATOM 667 CB PHE A 45 2.655 -15.509 -2.218 1.00 0.00 C ATOM 668 CG PHE A 45 1.433 -16.383 -2.212 1.00 0.00 C ATOM 669 CD1 PHE A 45 1.252 -17.350 -3.184 1.00 0.00 C ATOM 670 CD2 PHE A 45 0.469 -16.242 -1.223 1.00 0.00 C ATOM 671 CE1 PHE A 45 0.135 -18.159 -3.173 1.00 0.00 C ATOM 672 CE2 PHE A 45 -0.649 -17.045 -1.208 1.00 0.00 C ATOM 673 CZ PHE A 45 -0.817 -18.006 -2.182 1.00 0.00 C ATOM 0 H PHE A 45 4.427 -13.841 -2.315 1.00 0.00 H new ATOM 0 HA PHE A 45 2.606 -14.775 -4.249 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.527 -16.133 -2.414 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.784 -15.085 -1.222 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.993 -17.473 -3.960 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.598 -15.493 -0.456 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.004 -18.911 -3.937 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.393 -16.922 -0.435 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.692 -18.639 -2.171 1.00 0.00 H new ATOM 683 N ILE A 46 1.424 -12.456 -2.287 1.00 0.00 N ATOM 684 CA ILE A 46 0.252 -11.611 -2.060 1.00 0.00 C ATOM 685 C ILE A 46 0.187 -10.486 -3.136 1.00 0.00 C ATOM 686 O ILE A 46 -0.831 -9.794 -3.287 1.00 0.00 O ATOM 687 CB ILE A 46 0.271 -10.995 -0.607 1.00 0.00 C ATOM 688 CG1 ILE A 46 -1.081 -10.385 -0.227 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.366 -9.953 -0.451 1.00 0.00 C ATOM 690 CD1 ILE A 46 -2.189 -11.403 -0.091 1.00 0.00 C ATOM 0 H ILE A 46 2.262 -12.171 -1.780 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.641 -12.230 -2.147 1.00 0.00 H new ATOM 0 HB ILE A 46 0.479 -11.822 0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.975 -9.848 0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.364 -9.652 -0.982 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.346 -9.553 0.563 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.336 -10.413 -0.640 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.203 -9.144 -1.163 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.116 -10.898 0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.323 -11.924 -1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.928 -12.123 0.685 1.00 0.00 H new ATOM 702 N ALA A 47 1.273 -10.351 -3.901 1.00 0.00 N ATOM 703 CA ALA A 47 1.400 -9.303 -4.924 1.00 0.00 C ATOM 704 C ALA A 47 0.325 -9.378 -6.037 1.00 0.00 C ATOM 705 O ALA A 47 -0.306 -8.368 -6.316 1.00 0.00 O ATOM 706 CB ALA A 47 2.809 -9.246 -5.510 1.00 0.00 C ATOM 0 H ALA A 47 2.088 -10.961 -3.832 1.00 0.00 H new ATOM 0 HA ALA A 47 1.216 -8.366 -4.398 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.859 -8.458 -6.262 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.525 -9.035 -4.716 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.050 -10.204 -5.971 1.00 0.00 H new ATOM 712 N PRO A 48 0.089 -10.568 -6.700 1.00 0.00 N ATOM 713 CA PRO A 48 -0.938 -10.697 -7.755 1.00 0.00 C ATOM 714 C PRO A 48 -2.323 -10.263 -7.281 1.00 0.00 C ATOM 715 O PRO A 48 -3.128 -9.737 -8.062 1.00 0.00 O ATOM 716 CB PRO A 48 -0.948 -12.199 -8.091 1.00 0.00 C ATOM 717 CG PRO A 48 -0.172 -12.853 -7.004 1.00 0.00 C ATOM 718 CD PRO A 48 0.808 -11.836 -6.519 1.00 0.00 C ATOM 0 HA PRO A 48 -0.707 -10.058 -8.607 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -1.966 -12.585 -8.133 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -0.495 -12.387 -9.065 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.829 -13.175 -6.197 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.340 -13.742 -7.372 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.078 -12.001 -5.476 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.733 -11.861 -7.095 1.00 0.00 H new ATOM 726 N PHE A 49 -2.583 -10.463 -6.005 1.00 0.00 N ATOM 727 CA PHE A 49 -3.846 -10.089 -5.428 1.00 0.00 C ATOM 728 C PHE A 49 -3.910 -8.570 -5.248 1.00 0.00 C ATOM 729 O PHE A 49 -4.888 -7.944 -5.594 1.00 0.00 O ATOM 730 CB PHE A 49 -4.085 -10.828 -4.105 1.00 0.00 C ATOM 731 CG PHE A 49 -5.408 -10.518 -3.477 1.00 0.00 C ATOM 732 CD1 PHE A 49 -6.579 -10.995 -4.039 1.00 0.00 C ATOM 733 CD2 PHE A 49 -5.482 -9.755 -2.330 1.00 0.00 C ATOM 734 CE1 PHE A 49 -7.802 -10.713 -3.469 1.00 0.00 C ATOM 735 CE2 PHE A 49 -6.701 -9.471 -1.755 1.00 0.00 C ATOM 736 CZ PHE A 49 -7.861 -9.950 -2.327 1.00 0.00 C ATOM 0 H PHE A 49 -1.927 -10.886 -5.348 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.646 -10.383 -6.108 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -4.018 -11.902 -4.281 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.290 -10.569 -3.405 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.534 -11.596 -4.935 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.576 -9.377 -1.879 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.709 -11.090 -3.917 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.748 -8.873 -0.857 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.817 -9.725 -1.877 1.00 0.00 H new ATOM 746 N PHE A 50 -2.838 -7.992 -4.745 1.00 0.00 N ATOM 747 CA PHE A 50 -2.737 -6.531 -4.568 1.00 0.00 C ATOM 748 C PHE A 50 -2.788 -5.843 -5.945 1.00 0.00 C ATOM 749 O PHE A 50 -3.320 -4.740 -6.092 1.00 0.00 O ATOM 750 CB PHE A 50 -1.428 -6.202 -3.826 1.00 0.00 C ATOM 751 CG PHE A 50 -1.228 -4.752 -3.477 1.00 0.00 C ATOM 752 CD1 PHE A 50 -1.731 -4.238 -2.295 1.00 0.00 C ATOM 753 CD2 PHE A 50 -0.530 -3.908 -4.325 1.00 0.00 C ATOM 754 CE1 PHE A 50 -1.541 -2.912 -1.965 1.00 0.00 C ATOM 755 CE2 PHE A 50 -0.339 -2.584 -3.997 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.843 -2.084 -2.818 1.00 0.00 C ATOM 0 H PHE A 50 -2.009 -8.505 -4.445 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.573 -6.162 -3.973 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.395 -6.787 -2.907 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.590 -6.528 -4.442 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.279 -4.882 -1.623 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.132 -4.292 -5.253 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.939 -2.523 -1.039 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.208 -1.937 -4.667 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.692 -1.046 -2.562 1.00 0.00 H new ATOM 766 N ALA A 51 -2.237 -6.512 -6.945 1.00 0.00 N ATOM 767 CA ALA A 51 -2.275 -6.029 -8.315 1.00 0.00 C ATOM 768 C ALA A 51 -3.714 -6.022 -8.837 1.00 0.00 C ATOM 769 O ALA A 51 -4.085 -5.176 -9.650 1.00 0.00 O ATOM 770 CB ALA A 51 -1.388 -6.885 -9.205 1.00 0.00 C ATOM 0 H ALA A 51 -1.752 -7.402 -6.830 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.896 -5.007 -8.334 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.428 -6.510 -10.228 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.361 -6.843 -8.843 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.738 -7.917 -9.183 1.00 0.00 H new ATOM 776 N ASP A 52 -4.518 -6.960 -8.352 1.00 0.00 N ATOM 777 CA ASP A 52 -5.944 -7.042 -8.714 1.00 0.00 C ATOM 778 C ASP A 52 -6.643 -5.824 -8.202 1.00 0.00 C ATOM 779 O ASP A 52 -7.420 -5.184 -8.912 1.00 0.00 O ATOM 780 CB ASP A 52 -6.582 -8.270 -8.095 1.00 0.00 C ATOM 781 CG ASP A 52 -8.032 -8.432 -8.478 1.00 0.00 C ATOM 782 OD1 ASP A 52 -8.308 -8.955 -9.574 1.00 0.00 O ATOM 783 OD2 ASP A 52 -8.916 -8.062 -7.691 1.00 0.00 O ATOM 0 H ASP A 52 -4.212 -7.684 -7.702 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.030 -7.108 -9.799 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.028 -9.156 -8.404 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.503 -8.207 -7.010 1.00 0.00 H new ATOM 788 N LEU A 53 -6.351 -5.514 -6.960 1.00 0.00 N ATOM 789 CA LEU A 53 -6.803 -4.317 -6.312 1.00 0.00 C ATOM 790 C LEU A 53 -6.434 -3.084 -7.118 1.00 0.00 C ATOM 791 O LEU A 53 -7.267 -2.210 -7.334 1.00 0.00 O ATOM 792 CB LEU A 53 -6.204 -4.239 -4.905 1.00 0.00 C ATOM 793 CG LEU A 53 -6.925 -4.958 -3.768 1.00 0.00 C ATOM 794 CD1 LEU A 53 -6.990 -6.456 -3.976 1.00 0.00 C ATOM 795 CD2 LEU A 53 -6.283 -4.611 -2.436 1.00 0.00 C ATOM 0 H LEU A 53 -5.777 -6.107 -6.361 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.890 -4.349 -6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.188 -4.631 -4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.126 -3.186 -4.635 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.957 -4.607 -3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.513 -6.917 -3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.525 -6.672 -4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.979 -6.859 -4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.807 -5.130 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.237 -4.918 -2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.344 -3.535 -2.272 1.00 0.00 H new ATOM 807 N ALA A 54 -5.199 -3.042 -7.589 1.00 0.00 N ATOM 808 CA ALA A 54 -4.699 -1.938 -8.397 1.00 0.00 C ATOM 809 C ALA A 54 -5.466 -1.791 -9.703 1.00 0.00 C ATOM 810 O ALA A 54 -5.631 -0.686 -10.224 1.00 0.00 O ATOM 811 CB ALA A 54 -3.214 -2.087 -8.659 1.00 0.00 C ATOM 0 H ALA A 54 -4.510 -3.775 -7.422 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.859 -1.025 -7.824 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.866 -1.250 -9.264 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.677 -2.098 -7.711 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.030 -3.021 -9.191 1.00 0.00 H new ATOM 817 N LYS A 55 -5.922 -2.898 -10.226 1.00 0.00 N ATOM 818 CA LYS A 55 -6.673 -2.906 -11.455 1.00 0.00 C ATOM 819 C LYS A 55 -8.134 -2.489 -11.198 1.00 0.00 C ATOM 820 O LYS A 55 -8.811 -1.962 -12.089 1.00 0.00 O ATOM 821 CB LYS A 55 -6.637 -4.322 -12.048 1.00 0.00 C ATOM 822 CG LYS A 55 -7.346 -4.476 -13.377 1.00 0.00 C ATOM 823 CD LYS A 55 -7.378 -5.923 -13.822 1.00 0.00 C ATOM 824 CE LYS A 55 -8.068 -6.065 -15.160 1.00 0.00 C ATOM 825 NZ LYS A 55 -8.203 -7.478 -15.565 1.00 0.00 N ATOM 0 H LYS A 55 -5.784 -3.820 -9.813 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.229 -2.195 -12.152 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.596 -4.622 -12.171 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.085 -5.011 -11.332 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.365 -4.097 -13.294 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.842 -3.873 -14.132 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.361 -6.308 -13.891 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.897 -6.525 -13.076 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.056 -5.606 -15.109 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.503 -5.523 -15.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.681 -7.531 -16.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.260 -7.910 -15.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.764 -7.991 -14.855 1.00 0.00 H new ATOM 839 N LYS A 56 -8.595 -2.716 -9.981 1.00 0.00 N ATOM 840 CA LYS A 56 -9.991 -2.526 -9.643 1.00 0.00 C ATOM 841 C LYS A 56 -10.315 -1.169 -8.996 1.00 0.00 C ATOM 842 O LYS A 56 -11.324 -0.549 -9.342 1.00 0.00 O ATOM 843 CB LYS A 56 -10.439 -3.662 -8.707 1.00 0.00 C ATOM 844 CG LYS A 56 -11.898 -3.598 -8.263 1.00 0.00 C ATOM 845 CD LYS A 56 -12.251 -4.737 -7.305 1.00 0.00 C ATOM 846 CE LYS A 56 -12.113 -6.108 -7.964 1.00 0.00 C ATOM 847 NZ LYS A 56 -12.428 -7.202 -7.024 1.00 0.00 N ATOM 0 H LYS A 56 -8.015 -3.035 -9.205 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.538 -2.541 -10.586 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.270 -4.614 -9.210 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.805 -3.653 -7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.088 -2.642 -7.776 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.547 -3.645 -9.138 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.602 -4.689 -6.431 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.273 -4.607 -6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.778 -6.166 -8.825 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.096 -6.231 -8.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.323 -8.117 -7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.777 -7.162 -6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.406 -7.099 -6.687 1.00 0.00 H new ATOM 861 N LEU A 57 -9.472 -0.693 -8.102 1.00 0.00 N ATOM 862 CA LEU A 57 -9.833 0.458 -7.292 1.00 0.00 C ATOM 863 C LEU A 57 -9.442 1.813 -7.890 1.00 0.00 C ATOM 864 O LEU A 57 -8.274 2.131 -8.035 1.00 0.00 O ATOM 865 CB LEU A 57 -9.326 0.274 -5.873 1.00 0.00 C ATOM 866 CG LEU A 57 -9.937 -0.911 -5.124 1.00 0.00 C ATOM 867 CD1 LEU A 57 -9.252 -1.127 -3.785 1.00 0.00 C ATOM 868 CD2 LEU A 57 -11.433 -0.702 -4.915 1.00 0.00 C ATOM 0 H LEU A 57 -8.545 -1.077 -7.918 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.922 0.495 -7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.244 0.149 -5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.527 1.185 -5.309 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.786 -1.801 -5.735 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.708 -1.976 -3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.193 -1.327 -3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.363 -0.233 -3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.849 -1.556 -4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.596 0.205 -4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.925 -0.605 -5.883 1.00 0.00 H new ATOM 880 N PRO A 58 -10.457 2.626 -8.233 1.00 0.00 N ATOM 881 CA PRO A 58 -10.266 3.953 -8.843 1.00 0.00 C ATOM 882 C PRO A 58 -9.899 5.083 -7.845 1.00 0.00 C ATOM 883 O PRO A 58 -9.205 6.032 -8.210 1.00 0.00 O ATOM 884 CB PRO A 58 -11.643 4.237 -9.451 1.00 0.00 C ATOM 885 CG PRO A 58 -12.599 3.534 -8.548 1.00 0.00 C ATOM 886 CD PRO A 58 -11.893 2.284 -8.099 1.00 0.00 C ATOM 0 HA PRO A 58 -9.429 3.940 -9.541 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.847 5.307 -9.490 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.712 3.862 -10.472 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.865 4.160 -7.697 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -13.526 3.294 -9.070 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -12.149 2.026 -7.071 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.161 1.428 -8.719 1.00 0.00 H new ATOM 894 N ASN A 59 -10.358 4.981 -6.602 1.00 0.00 N ATOM 895 CA ASN A 59 -10.155 6.064 -5.615 1.00 0.00 C ATOM 896 C ASN A 59 -8.916 5.757 -4.775 1.00 0.00 C ATOM 897 O ASN A 59 -8.480 6.548 -3.957 1.00 0.00 O ATOM 898 CB ASN A 59 -11.412 6.158 -4.700 1.00 0.00 C ATOM 899 CG ASN A 59 -11.530 7.432 -3.823 1.00 0.00 C ATOM 900 OD1 ASN A 59 -10.554 8.067 -3.433 1.00 0.00 O ATOM 901 ND2 ASN A 59 -12.752 7.794 -3.504 1.00 0.00 N ATOM 0 H ASN A 59 -10.869 4.173 -6.246 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.010 7.015 -6.127 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.299 6.093 -5.330 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.423 5.288 -4.043 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.904 8.617 -2.921 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.548 7.252 -3.839 1.00 0.00 H new ATOM 908 N VAL A 60 -8.339 4.616 -5.004 1.00 0.00 N ATOM 909 CA VAL A 60 -7.234 4.188 -4.199 1.00 0.00 C ATOM 910 C VAL A 60 -5.918 4.293 -4.960 1.00 0.00 C ATOM 911 O VAL A 60 -5.823 3.897 -6.115 1.00 0.00 O ATOM 912 CB VAL A 60 -7.437 2.739 -3.681 1.00 0.00 C ATOM 913 CG1 VAL A 60 -6.308 2.317 -2.747 1.00 0.00 C ATOM 914 CG2 VAL A 60 -8.790 2.599 -2.996 1.00 0.00 C ATOM 0 H VAL A 60 -8.614 3.965 -5.740 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.189 4.857 -3.339 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.417 2.071 -4.542 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.482 1.297 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.358 2.363 -3.280 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.275 2.989 -1.889 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.913 1.576 -2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.843 3.286 -2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.583 2.834 -3.706 1.00 0.00 H new ATOM 924 N LEU A 61 -4.938 4.872 -4.318 1.00 0.00 N ATOM 925 CA LEU A 61 -3.594 4.945 -4.833 1.00 0.00 C ATOM 926 C LEU A 61 -2.817 3.816 -4.161 1.00 0.00 C ATOM 927 O LEU A 61 -2.905 3.649 -2.947 1.00 0.00 O ATOM 928 CB LEU A 61 -2.979 6.310 -4.492 1.00 0.00 C ATOM 929 CG LEU A 61 -1.591 6.599 -5.072 1.00 0.00 C ATOM 930 CD1 LEU A 61 -1.633 6.617 -6.594 1.00 0.00 C ATOM 931 CD2 LEU A 61 -1.056 7.915 -4.534 1.00 0.00 C ATOM 0 H LEU A 61 -5.052 5.314 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.569 4.840 -5.918 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.661 7.087 -4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.920 6.396 -3.407 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.917 5.800 -4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.636 6.824 -6.983 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.971 5.648 -6.960 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.322 7.392 -6.930 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.069 8.106 -4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.732 8.724 -4.812 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.982 7.861 -3.448 1.00 0.00 H new ATOM 943 N PHE A 62 -2.081 3.050 -4.925 1.00 0.00 N ATOM 944 CA PHE A 62 -1.454 1.845 -4.392 1.00 0.00 C ATOM 945 C PHE A 62 0.051 2.014 -4.390 1.00 0.00 C ATOM 946 O PHE A 62 0.637 2.414 -5.402 1.00 0.00 O ATOM 947 CB PHE A 62 -1.774 0.670 -5.302 1.00 0.00 C ATOM 948 CG PHE A 62 -3.196 0.653 -5.792 1.00 0.00 C ATOM 949 CD1 PHE A 62 -4.197 0.052 -5.057 1.00 0.00 C ATOM 950 CD2 PHE A 62 -3.526 1.265 -6.994 1.00 0.00 C ATOM 951 CE1 PHE A 62 -5.498 0.059 -5.509 1.00 0.00 C ATOM 952 CE2 PHE A 62 -4.817 1.274 -7.449 1.00 0.00 C ATOM 953 CZ PHE A 62 -5.805 0.673 -6.709 1.00 0.00 C ATOM 0 H PHE A 62 -1.896 3.228 -5.912 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.825 1.672 -3.382 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.104 0.694 -6.161 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.573 -0.258 -4.767 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.958 -0.428 -4.119 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.753 1.741 -7.579 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.276 -0.414 -4.928 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.058 1.752 -8.387 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.825 0.680 -7.065 1.00 0.00 H new ATOM 963 N LEU A 63 0.669 1.717 -3.286 1.00 0.00 N ATOM 964 CA LEU A 63 2.104 1.820 -3.147 1.00 0.00 C ATOM 965 C LEU A 63 2.713 0.574 -2.539 1.00 0.00 C ATOM 966 O LEU A 63 2.127 -0.063 -1.660 1.00 0.00 O ATOM 967 CB LEU A 63 2.537 3.031 -2.297 1.00 0.00 C ATOM 968 CG LEU A 63 2.390 4.446 -2.888 1.00 0.00 C ATOM 969 CD1 LEU A 63 0.944 4.872 -3.036 1.00 0.00 C ATOM 970 CD2 LEU A 63 3.158 5.440 -2.046 1.00 0.00 C ATOM 0 H LEU A 63 0.193 1.393 -2.444 1.00 0.00 H new ATOM 0 HA LEU A 63 2.472 1.949 -4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.968 3.001 -1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.585 2.891 -2.034 1.00 0.00 H new ATOM 0 HG LEU A 63 2.809 4.422 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.902 5.877 -3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.427 4.179 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.462 4.868 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.049 6.438 -2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.767 5.434 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.213 5.166 -2.031 1.00 0.00 H new ATOM 982 N LYS A 64 3.880 0.236 -3.024 1.00 0.00 N ATOM 983 CA LYS A 64 4.683 -0.812 -2.523 1.00 0.00 C ATOM 984 C LYS A 64 5.988 -0.191 -2.084 1.00 0.00 C ATOM 985 O LYS A 64 6.714 0.355 -2.901 1.00 0.00 O ATOM 986 CB LYS A 64 4.949 -1.798 -3.641 1.00 0.00 C ATOM 987 CG LYS A 64 3.724 -2.548 -4.136 1.00 0.00 C ATOM 988 CD LYS A 64 3.163 -3.527 -3.113 1.00 0.00 C ATOM 989 CE LYS A 64 4.114 -4.681 -2.879 1.00 0.00 C ATOM 990 NZ LYS A 64 3.578 -5.652 -1.906 1.00 0.00 N ATOM 0 H LYS A 64 4.303 0.717 -3.818 1.00 0.00 H new ATOM 0 HA LYS A 64 4.197 -1.330 -1.696 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.393 -1.263 -4.480 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.687 -2.523 -3.299 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.950 -1.829 -4.403 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.982 -3.091 -5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.979 -3.008 -2.172 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.203 -3.909 -3.460 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.310 -5.186 -3.825 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.068 -4.297 -2.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.145 -6.524 -1.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.621 -5.245 -0.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.590 -5.873 -2.144 1.00 0.00 H new ATOM 1004 N VAL A 65 6.269 -0.240 -0.833 1.00 0.00 N ATOM 1005 CA VAL A 65 7.470 0.359 -0.316 1.00 0.00 C ATOM 1006 C VAL A 65 8.454 -0.718 0.038 1.00 0.00 C ATOM 1007 O VAL A 65 8.175 -1.556 0.903 1.00 0.00 O ATOM 1008 CB VAL A 65 7.176 1.239 0.923 1.00 0.00 C ATOM 1009 CG1 VAL A 65 8.455 1.843 1.475 1.00 0.00 C ATOM 1010 CG2 VAL A 65 6.193 2.337 0.566 1.00 0.00 C ATOM 0 H VAL A 65 5.683 -0.692 -0.131 1.00 0.00 H new ATOM 0 HA VAL A 65 7.891 1.004 -1.088 1.00 0.00 H new ATOM 0 HB VAL A 65 6.736 0.605 1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.222 2.457 2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.138 1.045 1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.925 2.461 0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.995 2.948 1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.615 2.961 -0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.261 1.892 0.216 1.00 0.00 H new ATOM 1020 N ASP A 66 9.597 -0.713 -0.623 1.00 0.00 N ATOM 1021 CA ASP A 66 10.590 -1.727 -0.362 1.00 0.00 C ATOM 1022 C ASP A 66 11.330 -1.409 0.912 1.00 0.00 C ATOM 1023 O ASP A 66 12.092 -0.441 1.002 1.00 0.00 O ATOM 1024 CB ASP A 66 11.545 -1.930 -1.511 1.00 0.00 C ATOM 1025 CG ASP A 66 12.470 -3.123 -1.283 1.00 0.00 C ATOM 1026 OD1 ASP A 66 13.430 -2.993 -0.530 1.00 0.00 O ATOM 1027 OD2 ASP A 66 12.224 -4.211 -1.863 1.00 0.00 O ATOM 0 H ASP A 66 9.854 -0.028 -1.333 1.00 0.00 H new ATOM 0 HA ASP A 66 10.061 -2.672 -0.243 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.979 -2.081 -2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.143 -1.029 -1.649 1.00 0.00 H new ATOM 1032 N THR A 67 11.068 -2.213 1.875 1.00 0.00 N ATOM 1033 CA THR A 67 11.548 -2.099 3.207 1.00 0.00 C ATOM 1034 C THR A 67 13.041 -2.444 3.331 1.00 0.00 C ATOM 1035 O THR A 67 13.698 -2.084 4.327 1.00 0.00 O ATOM 1036 CB THR A 67 10.681 -3.000 4.061 1.00 0.00 C ATOM 1037 OG1 THR A 67 9.309 -2.622 3.877 1.00 0.00 O ATOM 1038 CG2 THR A 67 11.020 -2.969 5.526 1.00 0.00 C ATOM 0 H THR A 67 10.469 -3.028 1.746 1.00 0.00 H new ATOM 0 HA THR A 67 11.478 -1.065 3.544 1.00 0.00 H new ATOM 0 HB THR A 67 10.865 -4.023 3.733 1.00 0.00 H new ATOM 0 HG1 THR A 67 8.735 -3.199 4.423 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.354 -3.641 6.068 1.00 0.00 H new ATOM 0 HG22 THR A 67 12.052 -3.289 5.667 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.900 -1.954 5.906 1.00 0.00 H new ATOM 1046 N ASP A 68 13.580 -3.114 2.329 1.00 0.00 N ATOM 1047 CA ASP A 68 14.980 -3.466 2.356 1.00 0.00 C ATOM 1048 C ASP A 68 15.779 -2.260 1.928 1.00 0.00 C ATOM 1049 O ASP A 68 16.787 -1.910 2.555 1.00 0.00 O ATOM 1050 CB ASP A 68 15.282 -4.650 1.450 1.00 0.00 C ATOM 1051 CG ASP A 68 16.702 -5.154 1.606 1.00 0.00 C ATOM 1052 OD1 ASP A 68 16.933 -6.030 2.460 1.00 0.00 O ATOM 1053 OD2 ASP A 68 17.605 -4.685 0.888 1.00 0.00 O ATOM 0 H ASP A 68 13.074 -3.420 1.498 1.00 0.00 H new ATOM 0 HA ASP A 68 15.252 -3.765 3.368 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.586 -5.459 1.672 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.115 -4.361 0.412 1.00 0.00 H new ATOM 1058 N GLU A 69 15.317 -1.625 0.849 1.00 0.00 N ATOM 1059 CA GLU A 69 15.883 -0.399 0.364 1.00 0.00 C ATOM 1060 C GLU A 69 15.650 0.765 1.318 1.00 0.00 C ATOM 1061 O GLU A 69 16.581 1.480 1.663 1.00 0.00 O ATOM 1062 CB GLU A 69 15.335 -0.007 -1.009 1.00 0.00 C ATOM 1063 CG GLU A 69 16.075 -0.538 -2.235 1.00 0.00 C ATOM 1064 CD GLU A 69 15.849 -1.984 -2.547 1.00 0.00 C ATOM 1065 OE1 GLU A 69 16.599 -2.835 -2.074 1.00 0.00 O ATOM 1066 OE2 GLU A 69 14.937 -2.275 -3.348 1.00 0.00 O ATOM 0 H GLU A 69 14.532 -1.964 0.293 1.00 0.00 H new ATOM 0 HA GLU A 69 16.952 -0.595 0.285 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.300 -0.343 -1.068 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.321 1.081 -1.069 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.778 0.053 -3.101 1.00 0.00 H new ATOM 0 HG3 GLU A 69 17.143 -0.378 -2.091 1.00 0.00 H new ATOM 1073 N LEU A 70 14.419 0.965 1.745 1.00 0.00 N ATOM 1074 CA LEU A 70 14.089 2.099 2.581 1.00 0.00 C ATOM 1075 C LEU A 70 14.150 1.658 4.060 1.00 0.00 C ATOM 1076 O LEU A 70 13.304 2.011 4.889 1.00 0.00 O ATOM 1077 CB LEU A 70 12.689 2.593 2.190 1.00 0.00 C ATOM 1078 CG LEU A 70 12.254 3.891 2.829 1.00 0.00 C ATOM 1079 CD1 LEU A 70 13.161 5.033 2.399 1.00 0.00 C ATOM 1080 CD2 LEU A 70 10.807 4.210 2.529 1.00 0.00 C ATOM 0 H LEU A 70 13.631 0.356 1.526 1.00 0.00 H new ATOM 0 HA LEU A 70 14.795 2.918 2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.654 2.712 1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.965 1.820 2.449 1.00 0.00 H new ATOM 0 HG LEU A 70 12.341 3.768 3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.830 5.958 2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.186 4.818 2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.119 5.143 1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.535 5.151 3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.670 4.298 1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.171 3.412 2.912 1.00 0.00 H new ATOM 1092 N LYS A 71 15.225 0.953 4.363 1.00 0.00 N ATOM 1093 CA LYS A 71 15.470 0.281 5.633 1.00 0.00 C ATOM 1094 C LYS A 71 15.318 1.245 6.843 1.00 0.00 C ATOM 1095 O LYS A 71 14.605 0.934 7.801 1.00 0.00 O ATOM 1096 CB LYS A 71 16.902 -0.317 5.583 1.00 0.00 C ATOM 1097 CG LYS A 71 17.186 -1.517 6.501 1.00 0.00 C ATOM 1098 CD LYS A 71 17.015 -1.228 7.980 1.00 0.00 C ATOM 1099 CE LYS A 71 17.279 -2.479 8.801 1.00 0.00 C ATOM 1100 NZ LYS A 71 17.053 -2.251 10.239 1.00 0.00 N ATOM 0 H LYS A 71 15.990 0.825 3.700 1.00 0.00 H new ATOM 0 HA LYS A 71 14.728 -0.505 5.774 1.00 0.00 H new ATOM 0 HB2 LYS A 71 17.108 -0.619 4.556 1.00 0.00 H new ATOM 0 HB3 LYS A 71 17.609 0.475 5.831 1.00 0.00 H new ATOM 0 HG2 LYS A 71 16.522 -2.336 6.224 1.00 0.00 H new ATOM 0 HG3 LYS A 71 18.206 -1.860 6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 71 17.700 -0.436 8.283 1.00 0.00 H new ATOM 0 HD3 LYS A 71 16.005 -0.867 8.171 1.00 0.00 H new ATOM 0 HE2 LYS A 71 16.630 -3.284 8.455 1.00 0.00 H new ATOM 0 HE3 LYS A 71 18.306 -2.807 8.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 17.244 -3.128 10.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 17.690 -1.501 10.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.066 -1.963 10.394 1.00 0.00 H new ATOM 1114 N SER A 72 15.957 2.405 6.784 1.00 0.00 N ATOM 1115 CA SER A 72 15.945 3.327 7.919 1.00 0.00 C ATOM 1116 C SER A 72 14.564 3.961 8.161 1.00 0.00 C ATOM 1117 O SER A 72 14.093 4.033 9.305 1.00 0.00 O ATOM 1118 CB SER A 72 17.021 4.394 7.774 1.00 0.00 C ATOM 1119 OG SER A 72 18.317 3.812 7.688 1.00 0.00 O ATOM 0 H SER A 72 16.485 2.731 5.974 1.00 0.00 H new ATOM 0 HA SER A 72 16.171 2.730 8.803 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.828 4.990 6.882 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.980 5.073 8.626 1.00 0.00 H new ATOM 0 HG SER A 72 18.988 4.520 7.594 1.00 0.00 H new ATOM 1125 N VAL A 73 13.907 4.394 7.103 1.00 0.00 N ATOM 1126 CA VAL A 73 12.592 5.003 7.243 1.00 0.00 C ATOM 1127 C VAL A 73 11.556 3.952 7.641 1.00 0.00 C ATOM 1128 O VAL A 73 10.699 4.203 8.486 1.00 0.00 O ATOM 1129 CB VAL A 73 12.155 5.779 5.967 1.00 0.00 C ATOM 1130 CG1 VAL A 73 10.755 6.346 6.113 1.00 0.00 C ATOM 1131 CG2 VAL A 73 13.136 6.906 5.678 1.00 0.00 C ATOM 0 H VAL A 73 14.254 4.338 6.146 1.00 0.00 H new ATOM 0 HA VAL A 73 12.659 5.742 8.041 1.00 0.00 H new ATOM 0 HB VAL A 73 12.152 5.074 5.135 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.483 6.881 5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.049 5.533 6.281 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.727 7.032 6.960 1.00 0.00 H new ATOM 0 HG21 VAL A 73 12.821 7.442 4.783 1.00 0.00 H new ATOM 0 HG22 VAL A 73 13.160 7.593 6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 73 14.131 6.491 5.520 1.00 0.00 H new ATOM 1141 N ALA A 74 11.673 2.756 7.079 1.00 0.00 N ATOM 1142 CA ALA A 74 10.768 1.668 7.423 1.00 0.00 C ATOM 1143 C ALA A 74 10.931 1.280 8.892 1.00 0.00 C ATOM 1144 O ALA A 74 9.969 0.871 9.552 1.00 0.00 O ATOM 1145 CB ALA A 74 10.990 0.474 6.524 1.00 0.00 C ATOM 0 H ALA A 74 12.382 2.516 6.386 1.00 0.00 H new ATOM 0 HA ALA A 74 9.746 2.015 7.271 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.302 -0.324 6.802 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.813 0.761 5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.016 0.122 6.633 1.00 0.00 H new ATOM 1151 N SER A 75 12.150 1.431 9.402 1.00 0.00 N ATOM 1152 CA SER A 75 12.441 1.179 10.794 1.00 0.00 C ATOM 1153 C SER A 75 11.712 2.198 11.681 1.00 0.00 C ATOM 1154 O SER A 75 11.338 1.891 12.820 1.00 0.00 O ATOM 1155 CB SER A 75 13.959 1.231 11.050 1.00 0.00 C ATOM 1156 OG SER A 75 14.272 0.946 12.412 1.00 0.00 O ATOM 0 H SER A 75 12.957 1.731 8.856 1.00 0.00 H new ATOM 0 HA SER A 75 12.087 0.179 11.046 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.463 0.513 10.403 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.339 2.218 10.788 1.00 0.00 H new ATOM 0 HG SER A 75 15.243 0.986 12.540 1.00 0.00 H new ATOM 1162 N ASP A 76 11.510 3.405 11.159 1.00 0.00 N ATOM 1163 CA ASP A 76 10.799 4.452 11.895 1.00 0.00 C ATOM 1164 C ASP A 76 9.320 4.134 11.946 1.00 0.00 C ATOM 1165 O ASP A 76 8.657 4.358 12.954 1.00 0.00 O ATOM 1166 CB ASP A 76 11.047 5.837 11.288 1.00 0.00 C ATOM 1167 CG ASP A 76 10.328 6.945 12.038 1.00 0.00 C ATOM 1168 OD1 ASP A 76 10.781 7.328 13.134 1.00 0.00 O ATOM 1169 OD2 ASP A 76 9.323 7.464 11.528 1.00 0.00 O ATOM 0 H ASP A 76 11.827 3.684 10.231 1.00 0.00 H new ATOM 0 HA ASP A 76 11.187 4.477 12.913 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.118 6.041 11.286 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.720 5.837 10.248 1.00 0.00 H new ATOM 1174 N TRP A 77 8.819 3.558 10.867 1.00 0.00 N ATOM 1175 CA TRP A 77 7.435 3.116 10.793 1.00 0.00 C ATOM 1176 C TRP A 77 7.223 1.789 11.535 1.00 0.00 C ATOM 1177 O TRP A 77 6.124 1.226 11.508 1.00 0.00 O ATOM 1178 CB TRP A 77 6.964 3.004 9.344 1.00 0.00 C ATOM 1179 CG TRP A 77 6.861 4.321 8.636 1.00 0.00 C ATOM 1180 CD1 TRP A 77 7.811 4.926 7.877 1.00 0.00 C ATOM 1181 CD2 TRP A 77 5.728 5.198 8.631 1.00 0.00 C ATOM 1182 NE1 TRP A 77 7.346 6.128 7.407 1.00 0.00 N ATOM 1183 CE2 TRP A 77 6.069 6.318 7.853 1.00 0.00 C ATOM 1184 CE3 TRP A 77 4.461 5.144 9.215 1.00 0.00 C ATOM 1185 CZ2 TRP A 77 5.190 7.375 7.640 1.00 0.00 C ATOM 1186 CZ3 TRP A 77 3.590 6.191 9.002 1.00 0.00 C ATOM 1187 CH2 TRP A 77 3.957 7.293 8.221 1.00 0.00 C ATOM 0 H TRP A 77 9.358 3.383 10.019 1.00 0.00 H new ATOM 0 HA TRP A 77 6.830 3.875 11.289 1.00 0.00 H new ATOM 0 HB2 TRP A 77 7.653 2.361 8.797 1.00 0.00 H new ATOM 0 HB3 TRP A 77 5.990 2.515 9.326 1.00 0.00 H new ATOM 0 HD1 TRP A 77 8.791 4.520 7.673 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.870 6.776 6.819 1.00 0.00 H new ATOM 0 HE3 TRP A 77 4.169 4.299 9.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 5.472 8.227 7.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 2.606 6.160 9.446 1.00 0.00 H new ATOM 0 HH2 TRP A 77 3.250 8.096 8.075 1.00 0.00 H new ATOM 1198 N ALA A 78 8.300 1.298 12.181 1.00 0.00 N ATOM 1199 CA ALA A 78 8.291 0.074 13.002 1.00 0.00 C ATOM 1200 C ALA A 78 8.000 -1.168 12.165 1.00 0.00 C ATOM 1201 O ALA A 78 7.574 -2.201 12.693 1.00 0.00 O ATOM 1202 CB ALA A 78 7.294 0.207 14.160 1.00 0.00 C ATOM 0 H ALA A 78 9.214 1.749 12.145 1.00 0.00 H new ATOM 0 HA ALA A 78 9.289 -0.049 13.421 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.302 -0.707 14.754 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.577 1.051 14.789 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.293 0.371 13.761 1.00 0.00 H new ATOM 1208 N ILE A 79 8.287 -1.083 10.884 1.00 0.00 N ATOM 1209 CA ILE A 79 8.031 -2.180 9.982 1.00 0.00 C ATOM 1210 C ILE A 79 9.111 -3.242 10.134 1.00 0.00 C ATOM 1211 O ILE A 79 10.293 -3.000 9.849 1.00 0.00 O ATOM 1212 CB ILE A 79 7.964 -1.715 8.502 1.00 0.00 C ATOM 1213 CG1 ILE A 79 6.896 -0.612 8.317 1.00 0.00 C ATOM 1214 CG2 ILE A 79 7.685 -2.899 7.573 1.00 0.00 C ATOM 1215 CD1 ILE A 79 5.483 -1.016 8.708 1.00 0.00 C ATOM 0 H ILE A 79 8.700 -0.260 10.444 1.00 0.00 H new ATOM 0 HA ILE A 79 7.059 -2.597 10.245 1.00 0.00 H new ATOM 0 HB ILE A 79 8.934 -1.294 8.237 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.186 0.257 8.908 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.893 -0.301 7.272 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.642 -2.550 6.541 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.482 -3.636 7.674 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.732 -3.355 7.841 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.806 -0.178 8.543 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.166 -1.863 8.100 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.463 -1.297 9.761 1.00 0.00 H new ATOM 1227 N GLN A 80 8.710 -4.396 10.600 1.00 0.00 N ATOM 1228 CA GLN A 80 9.631 -5.497 10.788 1.00 0.00 C ATOM 1229 C GLN A 80 9.037 -6.770 10.196 1.00 0.00 C ATOM 1230 O GLN A 80 9.757 -7.650 9.711 1.00 0.00 O ATOM 1231 CB GLN A 80 9.934 -5.699 12.272 1.00 0.00 C ATOM 1232 CG GLN A 80 11.025 -6.726 12.547 1.00 0.00 C ATOM 1233 CD GLN A 80 11.234 -6.978 14.021 1.00 0.00 C ATOM 1234 OE1 GLN A 80 10.305 -6.887 14.820 1.00 0.00 O ATOM 1235 NE2 GLN A 80 12.441 -7.290 14.399 1.00 0.00 N ATOM 0 H GLN A 80 7.745 -4.603 10.859 1.00 0.00 H new ATOM 0 HA GLN A 80 10.565 -5.264 10.277 1.00 0.00 H new ATOM 0 HB2 GLN A 80 10.231 -4.744 12.705 1.00 0.00 H new ATOM 0 HB3 GLN A 80 9.021 -6.009 12.780 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.767 -7.664 12.056 1.00 0.00 H new ATOM 0 HG3 GLN A 80 11.961 -6.382 12.106 1.00 0.00 H new ATOM 0 HE21 GLN A 80 13.190 -7.357 13.710 1.00 0.00 H new ATOM 0 HE22 GLN A 80 12.637 -7.467 15.384 1.00 0.00 H new ATOM 1244 N ALA A 81 7.728 -6.868 10.230 1.00 0.00 N ATOM 1245 CA ALA A 81 7.056 -8.011 9.687 1.00 0.00 C ATOM 1246 C ALA A 81 6.529 -7.659 8.322 1.00 0.00 C ATOM 1247 O ALA A 81 5.722 -6.753 8.176 1.00 0.00 O ATOM 1248 CB ALA A 81 5.926 -8.456 10.606 1.00 0.00 C ATOM 0 H ALA A 81 7.110 -6.163 10.632 1.00 0.00 H new ATOM 0 HA ALA A 81 7.756 -8.842 9.602 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.428 -9.325 10.176 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.333 -8.717 11.583 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.207 -7.644 10.718 1.00 0.00 H new ATOM 1254 N MET A 82 6.977 -8.355 7.333 1.00 0.00 N ATOM 1255 CA MET A 82 6.591 -8.060 5.984 1.00 0.00 C ATOM 1256 C MET A 82 5.635 -9.111 5.480 1.00 0.00 C ATOM 1257 O MET A 82 5.790 -10.292 5.798 1.00 0.00 O ATOM 1258 CB MET A 82 7.820 -7.993 5.086 1.00 0.00 C ATOM 1259 CG MET A 82 8.807 -6.901 5.466 1.00 0.00 C ATOM 1260 SD MET A 82 10.267 -6.890 4.415 1.00 0.00 S ATOM 1261 CE MET A 82 10.946 -8.514 4.766 1.00 0.00 C ATOM 0 H MET A 82 7.618 -9.142 7.430 1.00 0.00 H new ATOM 0 HA MET A 82 6.093 -7.091 5.965 1.00 0.00 H new ATOM 0 HB2 MET A 82 8.331 -8.956 5.115 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.497 -7.834 4.057 1.00 0.00 H new ATOM 0 HG2 MET A 82 8.312 -5.932 5.404 1.00 0.00 H new ATOM 0 HG3 MET A 82 9.112 -7.037 6.504 1.00 0.00 H new ATOM 0 HE1 MET A 82 12.004 -8.421 5.010 1.00 0.00 H new ATOM 0 HE2 MET A 82 10.416 -8.955 5.610 1.00 0.00 H new ATOM 0 HE3 MET A 82 10.830 -9.154 3.891 1.00 0.00 H new ATOM 1271 N PRO A 83 4.630 -8.723 4.704 1.00 0.00 N ATOM 1272 CA PRO A 83 4.375 -7.338 4.330 1.00 0.00 C ATOM 1273 C PRO A 83 3.396 -6.650 5.293 1.00 0.00 C ATOM 1274 O PRO A 83 2.617 -7.310 5.991 1.00 0.00 O ATOM 1275 CB PRO A 83 3.746 -7.497 2.950 1.00 0.00 C ATOM 1276 CG PRO A 83 2.999 -8.790 3.013 1.00 0.00 C ATOM 1277 CD PRO A 83 3.642 -9.621 4.101 1.00 0.00 C ATOM 0 HA PRO A 83 5.270 -6.717 4.352 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.078 -6.666 2.722 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.507 -7.518 2.169 1.00 0.00 H new ATOM 0 HG2 PRO A 83 1.946 -8.616 3.233 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.044 -9.308 2.055 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.907 -9.954 4.834 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.113 -10.515 3.693 1.00 0.00 H new ATOM 1285 N THR A 84 3.475 -5.363 5.380 1.00 0.00 N ATOM 1286 CA THR A 84 2.548 -4.628 6.180 1.00 0.00 C ATOM 1287 C THR A 84 1.739 -3.719 5.281 1.00 0.00 C ATOM 1288 O THR A 84 2.305 -2.899 4.565 1.00 0.00 O ATOM 1289 CB THR A 84 3.273 -3.780 7.222 1.00 0.00 C ATOM 1290 OG1 THR A 84 4.127 -4.609 8.027 1.00 0.00 O ATOM 1291 CG2 THR A 84 2.291 -3.039 8.123 1.00 0.00 C ATOM 0 H THR A 84 4.176 -4.795 4.904 1.00 0.00 H new ATOM 0 HA THR A 84 1.900 -5.334 6.699 1.00 0.00 H new ATOM 0 HB THR A 84 3.872 -3.042 6.687 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.580 -5.264 7.456 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.843 -2.446 8.852 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.667 -2.381 7.518 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.660 -3.759 8.644 1.00 0.00 H new ATOM 1299 N PHE A 85 0.437 -3.821 5.359 1.00 0.00 N ATOM 1300 CA PHE A 85 -0.418 -3.045 4.544 1.00 0.00 C ATOM 1301 C PHE A 85 -0.982 -1.939 5.384 1.00 0.00 C ATOM 1302 O PHE A 85 -1.619 -2.177 6.395 1.00 0.00 O ATOM 1303 CB PHE A 85 -1.575 -3.906 4.036 1.00 0.00 C ATOM 1304 CG PHE A 85 -1.194 -5.057 3.149 1.00 0.00 C ATOM 1305 CD1 PHE A 85 -0.850 -6.287 3.688 1.00 0.00 C ATOM 1306 CD2 PHE A 85 -1.195 -4.911 1.770 1.00 0.00 C ATOM 1307 CE1 PHE A 85 -0.510 -7.346 2.871 1.00 0.00 C ATOM 1308 CE2 PHE A 85 -0.857 -5.968 0.948 1.00 0.00 C ATOM 1309 CZ PHE A 85 -0.513 -7.185 1.498 1.00 0.00 C ATOM 0 H PHE A 85 -0.048 -4.452 5.997 1.00 0.00 H new ATOM 0 HA PHE A 85 0.139 -2.650 3.695 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.116 -4.299 4.897 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.267 -3.265 3.490 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.848 -6.418 4.760 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.463 -3.960 1.334 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.242 -8.299 3.303 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.862 -5.842 -0.125 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.246 -8.012 0.856 1.00 0.00 H new ATOM 1319 N MET A 86 -0.733 -0.759 4.984 1.00 0.00 N ATOM 1320 CA MET A 86 -1.204 0.396 5.667 1.00 0.00 C ATOM 1321 C MET A 86 -2.233 1.079 4.808 1.00 0.00 C ATOM 1322 O MET A 86 -1.965 1.452 3.669 1.00 0.00 O ATOM 1323 CB MET A 86 -0.019 1.303 5.948 1.00 0.00 C ATOM 1324 CG MET A 86 -0.319 2.628 6.612 1.00 0.00 C ATOM 1325 SD MET A 86 1.191 3.585 6.834 1.00 0.00 S ATOM 1326 CE MET A 86 0.543 5.056 7.581 1.00 0.00 C ATOM 0 H MET A 86 -0.182 -0.552 4.151 1.00 0.00 H new ATOM 0 HA MET A 86 -1.672 0.134 6.616 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.684 0.758 6.578 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.488 1.503 5.004 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.027 3.192 6.005 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.793 2.457 7.579 1.00 0.00 H new ATOM 0 HE1 MET A 86 1.206 5.895 7.368 1.00 0.00 H new ATOM 0 HE2 MET A 86 -0.447 5.264 7.175 1.00 0.00 H new ATOM 0 HE3 MET A 86 0.471 4.915 8.659 1.00 0.00 H new ATOM 1336 N PHE A 87 -3.389 1.219 5.343 1.00 0.00 N ATOM 1337 CA PHE A 87 -4.495 1.781 4.679 1.00 0.00 C ATOM 1338 C PHE A 87 -4.791 3.150 5.225 1.00 0.00 C ATOM 1339 O PHE A 87 -5.049 3.321 6.432 1.00 0.00 O ATOM 1340 CB PHE A 87 -5.702 0.891 4.892 1.00 0.00 C ATOM 1341 CG PHE A 87 -5.641 -0.456 4.230 1.00 0.00 C ATOM 1342 CD1 PHE A 87 -5.062 -1.541 4.872 1.00 0.00 C ATOM 1343 CD2 PHE A 87 -6.177 -0.638 2.966 1.00 0.00 C ATOM 1344 CE1 PHE A 87 -5.017 -2.777 4.261 1.00 0.00 C ATOM 1345 CE2 PHE A 87 -6.136 -1.873 2.352 1.00 0.00 C ATOM 1346 CZ PHE A 87 -5.556 -2.943 3.000 1.00 0.00 C ATOM 0 H PHE A 87 -3.595 0.930 6.299 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.269 1.864 3.616 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.837 0.743 5.963 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.586 1.415 4.528 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.643 -1.417 5.859 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.633 0.197 2.455 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.561 -3.614 4.768 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.557 -2.001 1.366 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.523 -3.911 2.522 1.00 0.00 H new ATOM 1356 N LEU A 88 -4.753 4.119 4.381 1.00 0.00 N ATOM 1357 CA LEU A 88 -5.086 5.443 4.785 1.00 0.00 C ATOM 1358 C LEU A 88 -6.237 5.904 3.907 1.00 0.00 C ATOM 1359 O LEU A 88 -6.485 5.326 2.864 1.00 0.00 O ATOM 1360 CB LEU A 88 -3.916 6.453 4.591 1.00 0.00 C ATOM 1361 CG LEU A 88 -2.534 6.163 5.219 1.00 0.00 C ATOM 1362 CD1 LEU A 88 -1.807 5.042 4.492 1.00 0.00 C ATOM 1363 CD2 LEU A 88 -1.687 7.428 5.226 1.00 0.00 C ATOM 0 H LEU A 88 -4.493 4.021 3.400 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.331 5.419 5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.766 6.573 3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.252 7.416 4.976 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.697 5.834 6.245 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.840 4.869 4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.403 4.130 4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.657 5.322 3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.715 7.213 5.671 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.549 7.779 4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.190 8.199 5.809 1.00 0.00 H new ATOM 1375 N LYS A 89 -6.901 6.936 4.300 1.00 0.00 N ATOM 1376 CA LYS A 89 -7.956 7.490 3.508 1.00 0.00 C ATOM 1377 C LYS A 89 -7.790 8.968 3.431 1.00 0.00 C ATOM 1378 O LYS A 89 -7.809 9.664 4.456 1.00 0.00 O ATOM 1379 CB LYS A 89 -9.324 7.123 4.075 1.00 0.00 C ATOM 1380 CG LYS A 89 -10.528 7.716 3.338 1.00 0.00 C ATOM 1381 CD LYS A 89 -11.835 7.185 3.920 1.00 0.00 C ATOM 1382 CE LYS A 89 -13.065 7.789 3.239 1.00 0.00 C ATOM 1383 NZ LYS A 89 -13.236 9.235 3.534 1.00 0.00 N ATOM 0 H LYS A 89 -6.731 7.424 5.180 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.901 7.071 2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.419 6.037 4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.364 7.444 5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.507 8.803 3.413 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.469 7.468 2.278 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.862 6.100 3.816 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.870 7.404 4.987 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.982 7.650 2.161 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.955 7.249 3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.111 9.579 3.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.292 9.375 4.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.425 9.765 3.156 1.00 0.00 H new ATOM 1397 N GLU A 90 -7.574 9.434 2.214 1.00 0.00 N ATOM 1398 CA GLU A 90 -7.436 10.836 1.895 1.00 0.00 C ATOM 1399 C GLU A 90 -6.224 11.451 2.605 1.00 0.00 C ATOM 1400 O GLU A 90 -6.182 12.654 2.864 1.00 0.00 O ATOM 1401 CB GLU A 90 -8.715 11.568 2.241 1.00 0.00 C ATOM 1402 CG GLU A 90 -9.926 11.010 1.523 1.00 0.00 C ATOM 1403 CD GLU A 90 -11.192 11.653 1.949 1.00 0.00 C ATOM 1404 OE1 GLU A 90 -11.699 11.300 3.018 1.00 0.00 O ATOM 1405 OE2 GLU A 90 -11.712 12.515 1.231 1.00 0.00 O ATOM 0 H GLU A 90 -7.488 8.826 1.399 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.260 10.937 0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.880 11.513 3.317 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.604 12.623 1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.799 11.143 0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.989 9.937 1.706 1.00 0.00 H new ATOM 1412 N GLY A 91 -5.228 10.622 2.857 1.00 0.00 N ATOM 1413 CA GLY A 91 -4.026 11.061 3.535 1.00 0.00 C ATOM 1414 C GLY A 91 -4.074 10.867 5.045 1.00 0.00 C ATOM 1415 O GLY A 91 -3.068 11.067 5.723 1.00 0.00 O ATOM 0 H GLY A 91 -5.230 9.635 2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.172 10.515 3.134 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.861 12.116 3.317 1.00 0.00 H new ATOM 1419 N LYS A 92 -5.223 10.477 5.568 1.00 0.00 N ATOM 1420 CA LYS A 92 -5.366 10.219 6.996 1.00 0.00 C ATOM 1421 C LYS A 92 -5.286 8.717 7.251 1.00 0.00 C ATOM 1422 O LYS A 92 -5.956 7.944 6.578 1.00 0.00 O ATOM 1423 CB LYS A 92 -6.705 10.770 7.510 1.00 0.00 C ATOM 1424 CG LYS A 92 -6.958 10.520 8.997 1.00 0.00 C ATOM 1425 CD LYS A 92 -8.317 11.055 9.449 1.00 0.00 C ATOM 1426 CE LYS A 92 -8.409 12.562 9.296 1.00 0.00 C ATOM 1427 NZ LYS A 92 -9.719 13.085 9.735 1.00 0.00 N ATOM 0 H LYS A 92 -6.075 10.331 5.026 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.560 10.721 7.530 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.739 11.843 7.323 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -7.514 10.320 6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.905 9.450 9.198 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.170 10.993 9.583 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.106 10.582 8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.486 10.785 10.491 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -7.617 13.034 9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -8.242 12.831 8.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -9.739 14.118 9.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -10.474 12.655 9.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -9.868 12.851 10.737 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.474 8.319 8.208 1.00 0.00 N ATOM 1442 CA ILE A 93 -4.281 6.900 8.546 1.00 0.00 C ATOM 1443 C ILE A 93 -5.565 6.294 9.113 1.00 0.00 C ATOM 1444 O ILE A 93 -6.156 6.843 10.047 1.00 0.00 O ATOM 1445 CB ILE A 93 -3.139 6.726 9.591 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -1.823 7.273 9.035 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -2.974 5.251 9.979 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -0.690 7.308 10.040 1.00 0.00 C ATOM 0 H ILE A 93 -3.924 8.959 8.781 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.011 6.383 7.625 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.407 7.289 10.485 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.520 6.663 8.184 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.992 8.282 8.660 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.171 5.155 10.710 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.904 4.882 10.411 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.730 4.667 9.092 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.206 7.709 9.565 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.969 7.942 10.881 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.490 6.298 10.398 1.00 0.00 H new ATOM 1460 N LEU A 94 -6.001 5.185 8.545 1.00 0.00 N ATOM 1461 CA LEU A 94 -7.151 4.508 9.055 1.00 0.00 C ATOM 1462 C LEU A 94 -6.770 3.237 9.772 1.00 0.00 C ATOM 1463 O LEU A 94 -6.951 3.126 10.984 1.00 0.00 O ATOM 1464 CB LEU A 94 -8.169 4.185 7.966 1.00 0.00 C ATOM 1465 CG LEU A 94 -8.898 5.346 7.304 1.00 0.00 C ATOM 1466 CD1 LEU A 94 -9.963 4.808 6.369 1.00 0.00 C ATOM 1467 CD2 LEU A 94 -9.521 6.273 8.336 1.00 0.00 C ATOM 0 H LEU A 94 -5.569 4.744 7.733 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.614 5.197 9.762 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.656 3.624 7.185 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.919 3.521 8.396 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.173 5.928 6.735 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.485 5.639 5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.496 4.189 5.603 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.675 4.208 6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.033 7.090 7.829 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.237 5.716 8.940 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.740 6.678 8.980 1.00 0.00 H new ATOM 1479 N ASP A 95 -6.218 2.302 9.038 1.00 0.00 N ATOM 1480 CA ASP A 95 -5.957 0.980 9.575 1.00 0.00 C ATOM 1481 C ASP A 95 -4.799 0.301 8.903 1.00 0.00 C ATOM 1482 O ASP A 95 -4.406 0.668 7.807 1.00 0.00 O ATOM 1483 CB ASP A 95 -7.194 0.092 9.521 1.00 0.00 C ATOM 1484 CG ASP A 95 -7.804 -0.074 8.153 1.00 0.00 C ATOM 1485 OD1 ASP A 95 -8.433 0.868 7.642 1.00 0.00 O ATOM 1486 OD2 ASP A 95 -7.745 -1.171 7.609 1.00 0.00 O ATOM 0 H ASP A 95 -5.939 2.428 8.065 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.687 1.132 10.620 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.932 -0.893 9.907 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.948 0.506 10.190 1.00 0.00 H new ATOM 1491 N LYS A 96 -4.233 -0.662 9.583 1.00 0.00 N ATOM 1492 CA LYS A 96 -3.085 -1.383 9.071 1.00 0.00 C ATOM 1493 C LYS A 96 -3.242 -2.896 9.269 1.00 0.00 C ATOM 1494 O LYS A 96 -3.867 -3.355 10.237 1.00 0.00 O ATOM 1495 CB LYS A 96 -1.798 -0.908 9.761 1.00 0.00 C ATOM 1496 CG LYS A 96 -1.810 -1.119 11.266 1.00 0.00 C ATOM 1497 CD LYS A 96 -0.503 -0.714 11.917 1.00 0.00 C ATOM 1498 CE LYS A 96 -0.542 -0.975 13.418 1.00 0.00 C ATOM 1499 NZ LYS A 96 -0.782 -2.407 13.726 1.00 0.00 N ATOM 0 H LYS A 96 -4.549 -0.971 10.502 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.020 -1.177 8.003 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.947 -1.439 9.333 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.651 0.151 9.551 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.625 -0.543 11.704 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.010 -2.169 11.481 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.320 -1.270 11.468 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.312 0.343 11.732 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.401 -0.661 13.865 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -1.327 -0.370 13.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.504 -2.602 14.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.791 -2.624 13.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.219 -2.999 13.083 1.00 0.00 H new ATOM 1513 N VAL A 97 -2.688 -3.647 8.352 1.00 0.00 N ATOM 1514 CA VAL A 97 -2.669 -5.094 8.422 1.00 0.00 C ATOM 1515 C VAL A 97 -1.218 -5.547 8.453 1.00 0.00 C ATOM 1516 O VAL A 97 -0.453 -5.246 7.535 1.00 0.00 O ATOM 1517 CB VAL A 97 -3.388 -5.745 7.198 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -3.343 -7.270 7.271 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -4.828 -5.267 7.100 1.00 0.00 C ATOM 0 H VAL A 97 -2.230 -3.270 7.522 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.201 -5.408 9.320 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.853 -5.433 6.301 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.852 -7.691 6.404 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.305 -7.603 7.279 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.839 -7.605 8.182 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.309 -5.734 6.240 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.365 -5.540 8.008 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.844 -4.184 6.981 1.00 0.00 H new ATOM 1529 N VAL A 98 -0.831 -6.239 9.494 1.00 0.00 N ATOM 1530 CA VAL A 98 0.538 -6.689 9.626 1.00 0.00 C ATOM 1531 C VAL A 98 0.673 -8.186 9.295 1.00 0.00 C ATOM 1532 O VAL A 98 0.041 -9.054 9.932 1.00 0.00 O ATOM 1533 CB VAL A 98 1.127 -6.350 11.037 1.00 0.00 C ATOM 1534 CG1 VAL A 98 0.344 -7.008 12.170 1.00 0.00 C ATOM 1535 CG2 VAL A 98 2.607 -6.698 11.118 1.00 0.00 C ATOM 0 H VAL A 98 -1.443 -6.505 10.266 1.00 0.00 H new ATOM 0 HA VAL A 98 1.131 -6.141 8.894 1.00 0.00 H new ATOM 0 HB VAL A 98 1.025 -5.273 11.167 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.794 -6.741 13.126 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.690 -6.663 12.146 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.368 -8.091 12.048 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.985 -6.451 12.110 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.741 -7.764 10.934 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.156 -6.129 10.368 1.00 0.00 H new ATOM 1545 N GLY A 99 1.464 -8.479 8.286 1.00 0.00 N ATOM 1546 CA GLY A 99 1.678 -9.838 7.876 1.00 0.00 C ATOM 1547 C GLY A 99 0.766 -10.191 6.735 1.00 0.00 C ATOM 1548 O GLY A 99 -0.339 -9.635 6.627 1.00 0.00 O ATOM 0 H GLY A 99 1.970 -7.785 7.735 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.717 -9.974 7.575 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.498 -10.510 8.715 1.00 0.00 H new ATOM 1552 N ALA A 100 1.192 -11.091 5.872 1.00 0.00 N ATOM 1553 CA ALA A 100 0.363 -11.454 4.761 1.00 0.00 C ATOM 1554 C ALA A 100 -0.719 -12.370 5.236 1.00 0.00 C ATOM 1555 O ALA A 100 -0.477 -13.519 5.583 1.00 0.00 O ATOM 1556 CB ALA A 100 1.185 -12.137 3.671 1.00 0.00 C ATOM 0 H ALA A 100 2.090 -11.571 5.923 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.077 -10.551 4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.535 -12.403 2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.962 -11.457 3.322 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.646 -13.039 4.074 1.00 0.00 H new ATOM 1562 N LYS A 101 -1.894 -11.851 5.280 1.00 0.00 N ATOM 1563 CA LYS A 101 -3.046 -12.582 5.624 1.00 0.00 C ATOM 1564 C LYS A 101 -4.045 -12.406 4.540 1.00 0.00 C ATOM 1565 O LYS A 101 -4.580 -11.321 4.364 1.00 0.00 O ATOM 1566 CB LYS A 101 -3.562 -12.126 6.973 1.00 0.00 C ATOM 1567 CG LYS A 101 -2.653 -12.564 8.110 1.00 0.00 C ATOM 1568 CD LYS A 101 -3.082 -12.042 9.435 1.00 0.00 C ATOM 1569 CE LYS A 101 -2.867 -10.543 9.555 1.00 0.00 C ATOM 1570 NZ LYS A 101 -3.288 -10.037 10.879 1.00 0.00 N ATOM 0 H LYS A 101 -2.079 -10.870 5.069 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.825 -13.645 5.719 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.651 -11.040 6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.562 -12.529 7.133 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.626 -13.653 8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.637 -12.227 7.905 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -4.137 -12.270 9.590 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.527 -12.552 10.222 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.814 -10.312 9.395 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.428 -10.031 8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.223 -8.999 10.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.270 -10.325 11.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.667 -10.431 11.615 1.00 0.00 H new ATOM 1584 N LYS A 102 -4.298 -13.457 3.820 1.00 0.00 N ATOM 1585 CA LYS A 102 -5.104 -13.415 2.672 1.00 0.00 C ATOM 1586 C LYS A 102 -6.551 -13.101 3.002 1.00 0.00 C ATOM 1587 O LYS A 102 -7.132 -12.184 2.439 1.00 0.00 O ATOM 1588 CB LYS A 102 -4.974 -14.720 1.882 1.00 0.00 C ATOM 1589 CG LYS A 102 -3.583 -14.983 1.244 1.00 0.00 C ATOM 1590 CD LYS A 102 -2.477 -15.355 2.253 1.00 0.00 C ATOM 1591 CE LYS A 102 -2.722 -16.724 2.894 1.00 0.00 C ATOM 1592 NZ LYS A 102 -1.676 -17.078 3.891 1.00 0.00 N ATOM 0 H LYS A 102 -3.932 -14.385 4.034 1.00 0.00 H new ATOM 0 HA LYS A 102 -4.748 -12.599 2.044 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -5.212 -15.551 2.546 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.723 -14.720 1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -3.678 -15.788 0.515 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -3.274 -14.092 0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -1.511 -15.359 1.747 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -2.426 -14.594 3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.698 -16.726 3.379 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -2.751 -17.487 2.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.885 -18.012 4.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -0.747 -17.103 3.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -1.664 -16.366 4.649 1.00 0.00 H new ATOM 1606 N ASP A 103 -7.107 -13.824 3.950 1.00 0.00 N ATOM 1607 CA ASP A 103 -8.513 -13.652 4.316 1.00 0.00 C ATOM 1608 C ASP A 103 -8.756 -12.330 5.057 1.00 0.00 C ATOM 1609 O ASP A 103 -9.742 -11.647 4.798 1.00 0.00 O ATOM 1610 CB ASP A 103 -9.045 -14.849 5.135 1.00 0.00 C ATOM 1611 CG ASP A 103 -8.373 -15.016 6.479 1.00 0.00 C ATOM 1612 OD1 ASP A 103 -7.258 -15.565 6.535 1.00 0.00 O ATOM 1613 OD2 ASP A 103 -8.938 -14.595 7.494 1.00 0.00 O ATOM 0 H ASP A 103 -6.615 -14.538 4.486 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.074 -13.614 3.382 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -10.117 -14.725 5.288 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.910 -15.762 4.556 1.00 0.00 H new ATOM 1618 N GLU A 104 -7.840 -11.952 5.946 1.00 0.00 N ATOM 1619 CA GLU A 104 -8.003 -10.722 6.725 1.00 0.00 C ATOM 1620 C GLU A 104 -7.874 -9.507 5.830 1.00 0.00 C ATOM 1621 O GLU A 104 -8.572 -8.500 6.027 1.00 0.00 O ATOM 1622 CB GLU A 104 -6.988 -10.637 7.864 1.00 0.00 C ATOM 1623 CG GLU A 104 -7.203 -9.443 8.788 1.00 0.00 C ATOM 1624 CD GLU A 104 -6.146 -9.330 9.846 1.00 0.00 C ATOM 1625 OE1 GLU A 104 -6.104 -10.176 10.762 1.00 0.00 O ATOM 1626 OE2 GLU A 104 -5.338 -8.406 9.794 1.00 0.00 O ATOM 0 H GLU A 104 -6.985 -12.472 6.145 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.001 -10.743 7.162 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.037 -11.554 8.452 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.985 -10.582 7.442 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.217 -8.528 8.195 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.180 -9.529 9.264 1.00 0.00 H new ATOM 1633 N LEU A 105 -6.990 -9.599 4.845 1.00 0.00 N ATOM 1634 CA LEU A 105 -6.798 -8.521 3.900 1.00 0.00 C ATOM 1635 C LEU A 105 -8.092 -8.267 3.189 1.00 0.00 C ATOM 1636 O LEU A 105 -8.566 -7.148 3.135 1.00 0.00 O ATOM 1637 CB LEU A 105 -5.742 -8.892 2.885 1.00 0.00 C ATOM 1638 CG LEU A 105 -5.362 -7.795 1.891 1.00 0.00 C ATOM 1639 CD1 LEU A 105 -4.806 -6.574 2.612 1.00 0.00 C ATOM 1640 CD2 LEU A 105 -4.366 -8.314 0.875 1.00 0.00 C ATOM 0 H LEU A 105 -6.397 -10.413 4.685 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.475 -7.629 4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.843 -9.199 3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.092 -9.759 2.325 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.266 -7.493 1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.543 -5.809 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.559 -6.181 3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.917 -6.858 3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.109 -7.517 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.465 -8.651 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.806 -9.148 0.328 1.00 0.00 H new ATOM 1652 N GLN A 106 -8.664 -9.337 2.679 1.00 0.00 N ATOM 1653 CA GLN A 106 -9.954 -9.302 1.977 1.00 0.00 C ATOM 1654 C GLN A 106 -11.042 -8.677 2.830 1.00 0.00 C ATOM 1655 O GLN A 106 -11.849 -7.877 2.328 1.00 0.00 O ATOM 1656 CB GLN A 106 -10.375 -10.697 1.564 1.00 0.00 C ATOM 1657 CG GLN A 106 -9.444 -11.357 0.588 1.00 0.00 C ATOM 1658 CD GLN A 106 -9.838 -12.777 0.296 1.00 0.00 C ATOM 1659 OE1 GLN A 106 -11.019 -13.137 0.343 1.00 0.00 O ATOM 1660 NE2 GLN A 106 -8.869 -13.596 -0.002 1.00 0.00 N ATOM 0 H GLN A 106 -8.253 -10.269 2.734 1.00 0.00 H new ATOM 0 HA GLN A 106 -9.819 -8.685 1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -10.451 -11.320 2.455 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.371 -10.648 1.123 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.432 -10.787 -0.341 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.430 -11.338 0.987 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.907 -13.259 -0.030 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.073 -14.574 -0.207 1.00 0.00 H new ATOM 1669 N SER A 107 -11.056 -9.014 4.107 1.00 0.00 N ATOM 1670 CA SER A 107 -12.053 -8.471 5.005 1.00 0.00 C ATOM 1671 C SER A 107 -11.812 -6.975 5.196 1.00 0.00 C ATOM 1672 O SER A 107 -12.740 -6.183 5.220 1.00 0.00 O ATOM 1673 CB SER A 107 -12.010 -9.210 6.337 1.00 0.00 C ATOM 1674 OG SER A 107 -12.171 -10.612 6.137 1.00 0.00 O ATOM 0 H SER A 107 -10.393 -9.656 4.541 1.00 0.00 H new ATOM 0 HA SER A 107 -13.046 -8.607 4.575 1.00 0.00 H new ATOM 0 HB2 SER A 107 -11.061 -9.015 6.837 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.798 -8.837 6.992 1.00 0.00 H new ATOM 0 HG SER A 107 -11.363 -10.978 5.721 1.00 0.00 H new ATOM 1680 N THR A 108 -10.552 -6.604 5.270 1.00 0.00 N ATOM 1681 CA THR A 108 -10.162 -5.228 5.408 1.00 0.00 C ATOM 1682 C THR A 108 -10.515 -4.444 4.118 1.00 0.00 C ATOM 1683 O THR A 108 -10.889 -3.266 4.175 1.00 0.00 O ATOM 1684 CB THR A 108 -8.653 -5.133 5.729 1.00 0.00 C ATOM 1685 OG1 THR A 108 -8.381 -5.873 6.940 1.00 0.00 O ATOM 1686 CG2 THR A 108 -8.206 -3.692 5.913 1.00 0.00 C ATOM 0 H THR A 108 -9.769 -7.257 5.235 1.00 0.00 H new ATOM 0 HA THR A 108 -10.710 -4.779 6.236 1.00 0.00 H new ATOM 0 HB THR A 108 -8.100 -5.552 4.888 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.436 -6.834 6.756 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.140 -3.668 6.137 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.397 -3.132 4.998 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.760 -3.241 6.736 1.00 0.00 H new ATOM 1694 N ILE A 109 -10.424 -5.114 2.969 1.00 0.00 N ATOM 1695 CA ILE A 109 -10.806 -4.513 1.703 1.00 0.00 C ATOM 1696 C ILE A 109 -12.297 -4.217 1.714 1.00 0.00 C ATOM 1697 O ILE A 109 -12.710 -3.093 1.467 1.00 0.00 O ATOM 1698 CB ILE A 109 -10.484 -5.433 0.498 1.00 0.00 C ATOM 1699 CG1 ILE A 109 -8.992 -5.748 0.448 1.00 0.00 C ATOM 1700 CG2 ILE A 109 -10.930 -4.776 -0.808 1.00 0.00 C ATOM 1701 CD1 ILE A 109 -8.614 -6.707 -0.650 1.00 0.00 C ATOM 0 H ILE A 109 -10.088 -6.074 2.895 1.00 0.00 H new ATOM 0 HA ILE A 109 -10.230 -3.595 1.589 1.00 0.00 H new ATOM 0 HB ILE A 109 -11.031 -6.367 0.624 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.438 -4.819 0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.685 -6.167 1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.697 -5.435 -1.645 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -12.005 -4.596 -0.776 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.407 -3.828 -0.936 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.539 -6.884 -0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.141 -7.650 -0.506 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -8.889 -6.282 -1.615 1.00 0.00 H new ATOM 1713 N ALA A 110 -13.091 -5.225 2.049 1.00 0.00 N ATOM 1714 CA ALA A 110 -14.545 -5.086 2.090 1.00 0.00 C ATOM 1715 C ALA A 110 -14.965 -4.073 3.148 1.00 0.00 C ATOM 1716 O ALA A 110 -15.967 -3.382 2.993 1.00 0.00 O ATOM 1717 CB ALA A 110 -15.205 -6.433 2.323 1.00 0.00 C ATOM 0 H ALA A 110 -12.752 -6.154 2.298 1.00 0.00 H new ATOM 0 HA ALA A 110 -14.881 -4.711 1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -16.287 -6.308 2.350 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -14.939 -7.113 1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -14.864 -6.846 3.272 1.00 0.00 H new ATOM 1723 N LYS A 111 -14.181 -3.995 4.209 1.00 0.00 N ATOM 1724 CA LYS A 111 -14.376 -3.034 5.278 1.00 0.00 C ATOM 1725 C LYS A 111 -14.285 -1.621 4.705 1.00 0.00 C ATOM 1726 O LYS A 111 -15.098 -0.759 5.005 1.00 0.00 O ATOM 1727 CB LYS A 111 -13.283 -3.226 6.292 1.00 0.00 C ATOM 1728 CG LYS A 111 -13.457 -2.485 7.605 1.00 0.00 C ATOM 1729 CD LYS A 111 -12.266 -2.718 8.532 1.00 0.00 C ATOM 1730 CE LYS A 111 -10.981 -2.146 7.949 1.00 0.00 C ATOM 1731 NZ LYS A 111 -9.831 -2.331 8.856 1.00 0.00 N ATOM 0 H LYS A 111 -13.379 -4.608 4.353 1.00 0.00 H new ATOM 0 HA LYS A 111 -15.352 -3.177 5.742 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -13.197 -4.291 6.507 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -12.340 -2.914 5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -13.568 -1.418 7.412 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -14.373 -2.817 8.094 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -12.463 -2.258 9.501 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -12.143 -3.787 8.706 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -10.771 -2.628 6.994 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -11.116 -1.083 7.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.950 -2.117 8.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.925 -1.691 9.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -9.807 -3.316 9.190 1.00 0.00 H new ATOM 1745 N HIS A 112 -13.289 -1.410 3.857 1.00 0.00 N ATOM 1746 CA HIS A 112 -13.092 -0.137 3.188 1.00 0.00 C ATOM 1747 C HIS A 112 -14.126 0.103 2.096 1.00 0.00 C ATOM 1748 O HIS A 112 -14.601 1.229 1.913 1.00 0.00 O ATOM 1749 CB HIS A 112 -11.679 -0.013 2.619 1.00 0.00 C ATOM 1750 CG HIS A 112 -10.614 0.352 3.616 1.00 0.00 C ATOM 1751 ND1 HIS A 112 -10.129 1.630 3.742 1.00 0.00 N ATOM 1752 CD2 HIS A 112 -9.912 -0.391 4.500 1.00 0.00 C ATOM 1753 CE1 HIS A 112 -9.186 1.656 4.646 1.00 0.00 C ATOM 1754 NE2 HIS A 112 -9.033 0.449 5.124 1.00 0.00 N ATOM 0 H HIS A 112 -12.596 -2.118 3.615 1.00 0.00 H new ATOM 0 HA HIS A 112 -13.225 0.634 3.947 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -11.408 -0.961 2.154 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.688 0.739 1.830 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -10.025 -1.450 4.680 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.626 2.529 4.948 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -8.365 0.178 5.846 1.00 0.00 H new ATOM 1763 N LEU A 113 -14.502 -0.944 1.385 1.00 0.00 N ATOM 1764 CA LEU A 113 -15.453 -0.853 0.326 1.00 0.00 C ATOM 1765 C LEU A 113 -16.892 -0.905 0.826 1.00 0.00 C ATOM 1766 O LEU A 113 -17.820 -1.147 0.067 1.00 0.00 O ATOM 1767 CB LEU A 113 -15.174 -1.917 -0.711 1.00 0.00 C ATOM 1768 CG LEU A 113 -14.109 -1.605 -1.796 1.00 0.00 C ATOM 1769 CD1 LEU A 113 -14.512 -0.393 -2.623 1.00 0.00 C ATOM 1770 CD2 LEU A 113 -12.719 -1.403 -1.202 1.00 0.00 C ATOM 0 H LEU A 113 -14.143 -1.886 1.539 1.00 0.00 H new ATOM 0 HA LEU A 113 -15.340 0.124 -0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -14.865 -2.822 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -16.112 -2.146 -1.217 1.00 0.00 H new ATOM 0 HG LEU A 113 -14.062 -2.477 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -13.749 -0.196 -3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -15.465 -0.589 -3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -14.612 0.475 -1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -12.010 -1.187 -2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -12.741 -0.569 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -12.412 -2.309 -0.679 1.00 0.00 H new