USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=20 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 -179:sc= 0.887 USER MOD Set 1.2: A 16 THR OG1 : rot 79:sc= 0.661 USER MOD Single : A 7 GLN : amide:sc= -0.531 K(o=-0.53,f=-2.3) USER MOD Single : A 11 CYS SG : rot -162:sc= -1.87! USER MOD Single : A 12 HIS : no HE2:sc= 0.537 K(o=0.54,f=-5.4!) USER MOD Single : A 18 ASN : amide:sc= -0.262 K(o=-0.26,f=-1.8!) USER MOD Single : A 20 GLN : amide:sc= -3.51! C(o=-3.5!,f=-8.4!) USER MOD Single : A 22 GLN : amide:sc= 0.598 K(o=0.6,f=-0.32) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.198 K(o=-0.2,f=-2!) USER MOD Single : A 27 SER OG : rot -34:sc= 0.354 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -100:sc= -1.99! 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 K(o=0,f=-0.56) USER MOD Single : A 64 LYS NZ :NH3+ -143:sc= 0.134 (180deg=-1.19!) USER MOD Single : A 67 THR OG1 : rot -19:sc= 0.529 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 71:sc= 0.181 USER MOD Single : A 80 GLN : amide:sc= -1.36 K(o=-1.4,f=-6.1!) USER MOD Single : A 82 MET CE :methyl 170:sc= -1.21 (180deg=-1.4) USER MOD Single : A 84 THR OG1 : rot 51:sc= -0.497 USER MOD Single : A 86 MET CE :methyl -170:sc= -0.499 (180deg=-0.869) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.24) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 170:sc= 1.3 (180deg=1.23) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 1.14 K(o=1.1,f=-0.051) USER MOD Single : A 107 SER OG : rot 70:sc= 0.0997 USER MOD Single : A 108 THR OG1 : rot 72:sc= 0.21 USER MOD Single : A 111 LYS NZ :NH3+ -166:sc= 1.2 (180deg=0.709) USER MOD Single : A 112 HIS : no HD1:sc= -3.08! C(o=-3.1!,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 69 N GLY A 6 -3.695 0.666 -12.048 1.00 0.00 N ATOM 70 CA GLY A 6 -3.693 -0.769 -12.147 1.00 0.00 C ATOM 71 C GLY A 6 -2.321 -1.314 -11.911 1.00 0.00 C ATOM 72 O GLY A 6 -2.037 -2.479 -12.186 1.00 0.00 O ATOM 0 HA2 GLY A 6 -4.387 -1.189 -11.419 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.045 -1.071 -13.134 1.00 0.00 H new ATOM 76 N GLN A 7 -1.480 -0.466 -11.407 1.00 0.00 N ATOM 77 CA GLN A 7 -0.142 -0.803 -11.077 1.00 0.00 C ATOM 78 C GLN A 7 0.175 -0.285 -9.721 1.00 0.00 C ATOM 79 O GLN A 7 -0.540 0.572 -9.195 1.00 0.00 O ATOM 80 CB GLN A 7 0.865 -0.329 -12.159 1.00 0.00 C ATOM 81 CG GLN A 7 0.765 1.145 -12.604 1.00 0.00 C ATOM 82 CD GLN A 7 1.181 2.161 -11.549 1.00 0.00 C ATOM 83 OE1 GLN A 7 2.032 1.897 -10.711 1.00 0.00 O ATOM 84 NE2 GLN A 7 0.588 3.322 -11.594 1.00 0.00 N ATOM 0 H GLN A 7 -1.718 0.506 -11.210 1.00 0.00 H new ATOM 0 HA GLN A 7 -0.043 -1.888 -11.056 1.00 0.00 H new ATOM 0 HB2 GLN A 7 1.874 -0.503 -11.784 1.00 0.00 H new ATOM 0 HB3 GLN A 7 0.739 -0.959 -13.040 1.00 0.00 H new ATOM 0 HG2 GLN A 7 1.386 1.286 -13.488 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -0.263 1.351 -12.901 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -0.117 3.507 -12.307 1.00 0.00 H new ATOM 0 HE22 GLN A 7 0.830 4.045 -10.916 1.00 0.00 H new ATOM 93 N VAL A 8 1.205 -0.789 -9.152 1.00 0.00 N ATOM 94 CA VAL A 8 1.583 -0.406 -7.833 1.00 0.00 C ATOM 95 C VAL A 8 2.941 0.271 -7.910 1.00 0.00 C ATOM 96 O VAL A 8 3.867 -0.273 -8.511 1.00 0.00 O ATOM 97 CB VAL A 8 1.650 -1.641 -6.906 1.00 0.00 C ATOM 98 CG1 VAL A 8 1.878 -1.223 -5.485 1.00 0.00 C ATOM 99 CG2 VAL A 8 0.385 -2.485 -7.014 1.00 0.00 C ATOM 0 H VAL A 8 1.816 -1.482 -9.584 1.00 0.00 H new ATOM 0 HA VAL A 8 0.844 0.279 -7.418 1.00 0.00 H new ATOM 0 HB VAL A 8 2.492 -2.253 -7.230 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.922 -2.107 -4.848 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.818 -0.677 -5.413 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.060 -0.581 -5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.464 -3.346 -6.350 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.479 -1.884 -6.729 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.264 -2.829 -8.041 1.00 0.00 H new ATOM 109 N ILE A 9 3.070 1.445 -7.322 1.00 0.00 N ATOM 110 CA ILE A 9 4.306 2.195 -7.430 1.00 0.00 C ATOM 111 C ILE A 9 5.336 1.684 -6.431 1.00 0.00 C ATOM 112 O ILE A 9 5.152 1.813 -5.221 1.00 0.00 O ATOM 113 CB ILE A 9 4.111 3.744 -7.236 1.00 0.00 C ATOM 114 CG1 ILE A 9 3.165 4.357 -8.294 1.00 0.00 C ATOM 115 CG2 ILE A 9 5.452 4.473 -7.265 1.00 0.00 C ATOM 116 CD1 ILE A 9 1.690 4.022 -8.130 1.00 0.00 C ATOM 0 H ILE A 9 2.341 1.897 -6.769 1.00 0.00 H new ATOM 0 HA ILE A 9 4.664 2.038 -8.448 1.00 0.00 H new ATOM 0 HB ILE A 9 3.649 3.875 -6.258 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.278 5.441 -8.271 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.487 4.023 -9.280 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.288 5.542 -7.129 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.087 4.098 -6.463 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.939 4.300 -8.225 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.117 4.502 -8.924 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.554 2.942 -8.187 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.341 4.382 -7.162 1.00 0.00 H new ATOM 128 N ALA A 10 6.401 1.103 -6.930 1.00 0.00 N ATOM 129 CA ALA A 10 7.465 0.609 -6.086 1.00 0.00 C ATOM 130 C ALA A 10 8.462 1.716 -5.839 1.00 0.00 C ATOM 131 O ALA A 10 9.185 2.129 -6.749 1.00 0.00 O ATOM 132 CB ALA A 10 8.148 -0.596 -6.720 1.00 0.00 C ATOM 0 H ALA A 10 6.555 0.959 -7.928 1.00 0.00 H new ATOM 0 HA ALA A 10 7.042 0.286 -5.135 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.945 -0.949 -6.065 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.419 -1.393 -6.866 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.570 -0.310 -7.683 1.00 0.00 H new ATOM 138 N CYS A 11 8.492 2.206 -4.635 1.00 0.00 N ATOM 139 CA CYS A 11 9.343 3.287 -4.296 1.00 0.00 C ATOM 140 C CYS A 11 10.655 2.769 -3.755 1.00 0.00 C ATOM 141 O CYS A 11 10.686 1.888 -2.894 1.00 0.00 O ATOM 142 CB CYS A 11 8.671 4.141 -3.254 1.00 0.00 C ATOM 143 SG CYS A 11 6.994 4.648 -3.702 1.00 0.00 S ATOM 0 H CYS A 11 7.921 1.860 -3.864 1.00 0.00 H new ATOM 0 HA CYS A 11 9.540 3.880 -5.189 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.636 3.591 -2.314 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.276 5.031 -3.081 1.00 0.00 H new ATOM 0 HG CYS A 11 6.635 5.658 -2.966 1.00 0.00 H new ATOM 149 N HIS A 12 11.724 3.290 -4.278 1.00 0.00 N ATOM 150 CA HIS A 12 13.056 2.946 -3.828 1.00 0.00 C ATOM 151 C HIS A 12 13.682 4.146 -3.166 1.00 0.00 C ATOM 152 O HIS A 12 14.819 4.095 -2.688 1.00 0.00 O ATOM 153 CB HIS A 12 13.940 2.505 -5.002 1.00 0.00 C ATOM 154 CG HIS A 12 13.509 1.245 -5.686 1.00 0.00 C ATOM 155 ND1 HIS A 12 14.211 0.071 -5.592 1.00 0.00 N ATOM 156 CD2 HIS A 12 12.453 0.982 -6.488 1.00 0.00 C ATOM 157 CE1 HIS A 12 13.609 -0.859 -6.301 1.00 0.00 C ATOM 158 NE2 HIS A 12 12.542 -0.333 -6.852 1.00 0.00 N ATOM 0 H HIS A 12 11.705 3.972 -5.036 1.00 0.00 H new ATOM 0 HA HIS A 12 12.977 2.119 -3.123 1.00 0.00 H new ATOM 0 HB2 HIS A 12 13.966 3.308 -5.738 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.959 2.372 -4.639 1.00 0.00 H new ATOM 0 HD1 HIS A 12 15.068 -0.061 -5.055 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.684 1.679 -6.785 1.00 0.00 H new ATOM 0 HE1 HIS A 12 13.938 -1.882 -6.411 1.00 0.00 H new ATOM 167 N THR A 13 12.944 5.230 -3.129 1.00 0.00 N ATOM 168 CA THR A 13 13.453 6.459 -2.597 1.00 0.00 C ATOM 169 C THR A 13 12.393 7.120 -1.766 1.00 0.00 C ATOM 170 O THR A 13 11.183 6.907 -1.999 1.00 0.00 O ATOM 171 CB THR A 13 13.854 7.438 -3.728 1.00 0.00 C ATOM 172 OG1 THR A 13 12.715 7.709 -4.562 1.00 0.00 O ATOM 173 CG2 THR A 13 14.986 6.885 -4.582 1.00 0.00 C ATOM 0 H THR A 13 11.982 5.279 -3.465 1.00 0.00 H new ATOM 0 HA THR A 13 14.332 6.224 -1.997 1.00 0.00 H new ATOM 0 HB THR A 13 14.205 8.358 -3.260 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.976 8.317 -5.285 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.236 7.603 -5.363 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.861 6.709 -3.957 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.672 5.946 -5.039 1.00 0.00 H new ATOM 181 N VAL A 14 12.812 7.909 -0.810 1.00 0.00 N ATOM 182 CA VAL A 14 11.890 8.661 -0.025 1.00 0.00 C ATOM 183 C VAL A 14 11.361 9.826 -0.884 1.00 0.00 C ATOM 184 O VAL A 14 10.306 10.369 -0.622 1.00 0.00 O ATOM 185 CB VAL A 14 12.485 9.141 1.353 1.00 0.00 C ATOM 186 CG1 VAL A 14 13.618 10.128 1.193 1.00 0.00 C ATOM 187 CG2 VAL A 14 11.402 9.691 2.274 1.00 0.00 C ATOM 0 H VAL A 14 13.792 8.042 -0.562 1.00 0.00 H new ATOM 0 HA VAL A 14 11.061 8.013 0.259 1.00 0.00 H new ATOM 0 HB VAL A 14 12.908 8.254 1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.986 10.422 2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.426 9.666 0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 14 13.260 11.010 0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.852 10.011 3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.915 10.541 1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.663 8.914 2.472 1.00 0.00 H new ATOM 197 N GLU A 15 12.133 10.186 -1.936 1.00 0.00 N ATOM 198 CA GLU A 15 11.751 11.169 -2.888 1.00 0.00 C ATOM 199 C GLU A 15 10.397 10.799 -3.534 1.00 0.00 C ATOM 200 O GLU A 15 9.462 11.609 -3.545 1.00 0.00 O ATOM 201 CB GLU A 15 12.813 11.276 -3.997 1.00 0.00 C ATOM 202 CG GLU A 15 14.241 11.679 -3.581 1.00 0.00 C ATOM 203 CD GLU A 15 15.030 10.585 -2.888 1.00 0.00 C ATOM 204 OE1 GLU A 15 14.883 10.410 -1.673 1.00 0.00 O ATOM 205 OE2 GLU A 15 15.803 9.890 -3.559 1.00 0.00 O ATOM 0 H GLU A 15 13.048 9.775 -2.120 1.00 0.00 H new ATOM 0 HA GLU A 15 11.660 12.123 -2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.870 10.312 -4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.460 12.000 -4.731 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.788 11.996 -4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.182 12.542 -2.918 1.00 0.00 H new ATOM 212 N THR A 16 10.297 9.560 -4.043 1.00 0.00 N ATOM 213 CA THR A 16 9.066 9.090 -4.666 1.00 0.00 C ATOM 214 C THR A 16 7.958 8.986 -3.606 1.00 0.00 C ATOM 215 O THR A 16 6.811 9.385 -3.836 1.00 0.00 O ATOM 216 CB THR A 16 9.285 7.710 -5.345 1.00 0.00 C ATOM 217 OG1 THR A 16 10.372 7.803 -6.293 1.00 0.00 O ATOM 218 CG2 THR A 16 8.034 7.256 -6.082 1.00 0.00 C ATOM 0 H THR A 16 11.053 8.876 -4.032 1.00 0.00 H new ATOM 0 HA THR A 16 8.768 9.805 -5.433 1.00 0.00 H new ATOM 0 HB THR A 16 9.519 6.985 -4.566 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.227 7.766 -5.815 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.217 6.287 -6.547 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.207 7.169 -5.377 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.780 7.986 -6.851 1.00 0.00 H new ATOM 226 N TRP A 17 8.337 8.472 -2.445 1.00 0.00 N ATOM 227 CA TRP A 17 7.451 8.326 -1.298 1.00 0.00 C ATOM 228 C TRP A 17 6.803 9.676 -0.916 1.00 0.00 C ATOM 229 O TRP A 17 5.581 9.775 -0.780 1.00 0.00 O ATOM 230 CB TRP A 17 8.272 7.747 -0.134 1.00 0.00 C ATOM 231 CG TRP A 17 7.554 7.597 1.166 1.00 0.00 C ATOM 232 CD1 TRP A 17 7.831 8.258 2.324 1.00 0.00 C ATOM 233 CD2 TRP A 17 6.443 6.749 1.444 1.00 0.00 C ATOM 234 NE1 TRP A 17 6.979 7.855 3.310 1.00 0.00 N ATOM 235 CE2 TRP A 17 6.111 6.933 2.798 1.00 0.00 C ATOM 236 CE3 TRP A 17 5.700 5.848 0.688 1.00 0.00 C ATOM 237 CZ2 TRP A 17 5.069 6.252 3.407 1.00 0.00 C ATOM 238 CZ3 TRP A 17 4.664 5.178 1.294 1.00 0.00 C ATOM 239 CH2 TRP A 17 4.358 5.383 2.645 1.00 0.00 C ATOM 0 H TRP A 17 9.285 8.139 -2.270 1.00 0.00 H new ATOM 0 HA TRP A 17 6.632 7.650 -1.544 1.00 0.00 H new ATOM 0 HB2 TRP A 17 8.648 6.769 -0.433 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.140 8.387 0.025 1.00 0.00 H new ATOM 0 HD1 TRP A 17 8.612 8.994 2.444 1.00 0.00 H new ATOM 0 HE1 TRP A 17 6.989 8.188 4.274 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.932 5.679 -0.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.832 6.407 4.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 4.075 4.480 0.717 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.539 4.838 3.090 1.00 0.00 H new ATOM 250 N ASN A 18 7.634 10.701 -0.785 1.00 0.00 N ATOM 251 CA ASN A 18 7.194 12.056 -0.425 1.00 0.00 C ATOM 252 C ASN A 18 6.211 12.583 -1.468 1.00 0.00 C ATOM 253 O ASN A 18 5.135 13.088 -1.125 1.00 0.00 O ATOM 254 CB ASN A 18 8.427 12.985 -0.332 1.00 0.00 C ATOM 255 CG ASN A 18 8.144 14.412 0.163 1.00 0.00 C ATOM 256 OD1 ASN A 18 7.072 14.988 -0.039 1.00 0.00 O ATOM 257 ND2 ASN A 18 9.116 14.986 0.815 1.00 0.00 N ATOM 0 H ASN A 18 8.641 10.622 -0.925 1.00 0.00 H new ATOM 0 HA ASN A 18 6.690 12.030 0.541 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.157 12.526 0.335 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.889 13.046 -1.317 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.000 15.934 1.172 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.992 14.487 0.968 1.00 0.00 H new ATOM 264 N GLU A 19 6.576 12.428 -2.733 1.00 0.00 N ATOM 265 CA GLU A 19 5.761 12.890 -3.850 1.00 0.00 C ATOM 266 C GLU A 19 4.364 12.264 -3.829 1.00 0.00 C ATOM 267 O GLU A 19 3.354 12.975 -3.956 1.00 0.00 O ATOM 268 CB GLU A 19 6.459 12.583 -5.174 1.00 0.00 C ATOM 269 CG GLU A 19 5.676 12.999 -6.407 1.00 0.00 C ATOM 270 CD GLU A 19 6.421 12.724 -7.678 1.00 0.00 C ATOM 271 OE1 GLU A 19 7.211 13.598 -8.107 1.00 0.00 O ATOM 272 OE2 GLU A 19 6.237 11.641 -8.276 1.00 0.00 O ATOM 0 H GLU A 19 7.447 11.978 -3.015 1.00 0.00 H new ATOM 0 HA GLU A 19 5.641 13.969 -3.749 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.426 13.086 -5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.656 11.512 -5.227 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.724 12.469 -6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.447 14.063 -6.346 1.00 0.00 H new ATOM 279 N GLN A 20 4.310 10.957 -3.647 1.00 0.00 N ATOM 280 CA GLN A 20 3.087 10.240 -3.634 1.00 0.00 C ATOM 281 C GLN A 20 2.217 10.589 -2.436 1.00 0.00 C ATOM 282 O GLN A 20 0.997 10.684 -2.561 1.00 0.00 O ATOM 283 CB GLN A 20 3.367 8.776 -3.699 1.00 0.00 C ATOM 284 CG GLN A 20 3.972 8.287 -5.024 1.00 0.00 C ATOM 285 CD GLN A 20 3.056 8.477 -6.239 1.00 0.00 C ATOM 286 OE1 GLN A 20 2.243 9.395 -6.308 1.00 0.00 O ATOM 287 NE2 GLN A 20 3.189 7.617 -7.211 1.00 0.00 N ATOM 0 H GLN A 20 5.135 10.374 -3.504 1.00 0.00 H new ATOM 0 HA GLN A 20 2.514 10.535 -4.513 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.048 8.516 -2.889 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.437 8.236 -3.520 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.908 8.818 -5.201 1.00 0.00 H new ATOM 0 HG3 GLN A 20 4.218 7.229 -4.930 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.870 6.862 -7.134 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.612 7.700 -8.048 1.00 0.00 H new ATOM 296 N LEU A 21 2.832 10.788 -1.279 1.00 0.00 N ATOM 297 CA LEU A 21 2.125 11.182 -0.118 1.00 0.00 C ATOM 298 C LEU A 21 1.535 12.555 -0.281 1.00 0.00 C ATOM 299 O LEU A 21 0.375 12.777 0.081 1.00 0.00 O ATOM 300 CB LEU A 21 3.020 11.151 1.068 1.00 0.00 C ATOM 301 CG LEU A 21 3.501 9.795 1.572 1.00 0.00 C ATOM 302 CD1 LEU A 21 4.375 9.991 2.796 1.00 0.00 C ATOM 303 CD2 LEU A 21 2.324 8.879 1.895 1.00 0.00 C ATOM 0 H LEU A 21 3.836 10.675 -1.142 1.00 0.00 H new ATOM 0 HA LEU A 21 1.309 10.475 0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.900 11.752 0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.502 11.647 1.889 1.00 0.00 H new ATOM 0 HG LEU A 21 4.085 9.317 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.719 9.022 3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.235 10.607 2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.800 10.486 3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.697 7.919 2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.707 9.338 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.726 8.724 0.997 1.00 0.00 H new ATOM 315 N GLN A 22 2.329 13.480 -0.816 1.00 0.00 N ATOM 316 CA GLN A 22 1.845 14.814 -1.092 1.00 0.00 C ATOM 317 C GLN A 22 0.661 14.728 -2.018 1.00 0.00 C ATOM 318 O GLN A 22 -0.359 15.329 -1.777 1.00 0.00 O ATOM 319 CB GLN A 22 2.908 15.684 -1.751 1.00 0.00 C ATOM 320 CG GLN A 22 2.405 17.093 -2.051 1.00 0.00 C ATOM 321 CD GLN A 22 3.366 17.923 -2.856 1.00 0.00 C ATOM 322 OE1 GLN A 22 4.580 17.750 -2.779 1.00 0.00 O ATOM 323 NE2 GLN A 22 2.838 18.834 -3.630 1.00 0.00 N ATOM 0 H GLN A 22 3.306 13.323 -1.063 1.00 0.00 H new ATOM 0 HA GLN A 22 1.571 15.268 -0.140 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.780 15.744 -1.099 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.235 15.213 -2.678 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.460 17.024 -2.590 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.199 17.603 -1.110 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.825 18.947 -3.667 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.439 19.432 -4.197 1.00 0.00 H new ATOM 332 N LYS A 23 0.817 13.938 -3.053 1.00 0.00 N ATOM 333 CA LYS A 23 -0.191 13.747 -4.069 1.00 0.00 C ATOM 334 C LYS A 23 -1.475 13.190 -3.459 1.00 0.00 C ATOM 335 O LYS A 23 -2.580 13.627 -3.804 1.00 0.00 O ATOM 336 CB LYS A 23 0.375 12.824 -5.141 1.00 0.00 C ATOM 337 CG LYS A 23 -0.485 12.613 -6.361 1.00 0.00 C ATOM 338 CD LYS A 23 0.292 11.814 -7.378 1.00 0.00 C ATOM 339 CE LYS A 23 -0.478 11.584 -8.649 1.00 0.00 C ATOM 340 NZ LYS A 23 0.360 10.890 -9.643 1.00 0.00 N ATOM 0 H LYS A 23 1.667 13.398 -3.216 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.452 14.702 -4.524 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.336 13.224 -5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.570 11.852 -4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.401 12.088 -6.090 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.781 13.573 -6.783 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.221 12.335 -7.610 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.566 10.852 -6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.369 10.992 -8.439 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.817 12.538 -9.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.188 10.739 -10.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.197 11.469 -9.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.663 9.971 -9.261 1.00 0.00 H new ATOM 354 N ALA A 24 -1.334 12.259 -2.525 1.00 0.00 N ATOM 355 CA ALA A 24 -2.482 11.690 -1.866 1.00 0.00 C ATOM 356 C ALA A 24 -3.131 12.718 -0.936 1.00 0.00 C ATOM 357 O ALA A 24 -4.345 12.812 -0.858 1.00 0.00 O ATOM 358 CB ALA A 24 -2.087 10.439 -1.096 1.00 0.00 C ATOM 0 H ALA A 24 -0.436 11.889 -2.214 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.213 11.408 -2.624 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.966 10.022 -0.604 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.673 9.703 -1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.339 10.695 -0.346 1.00 0.00 H new ATOM 364 N ASN A 25 -2.310 13.498 -0.267 1.00 0.00 N ATOM 365 CA ASN A 25 -2.780 14.501 0.694 1.00 0.00 C ATOM 366 C ASN A 25 -3.477 15.633 -0.035 1.00 0.00 C ATOM 367 O ASN A 25 -4.629 15.982 0.249 1.00 0.00 O ATOM 368 CB ASN A 25 -1.575 15.075 1.447 1.00 0.00 C ATOM 369 CG ASN A 25 -1.946 15.956 2.652 1.00 0.00 C ATOM 370 OD1 ASN A 25 -2.976 16.625 2.676 1.00 0.00 O ATOM 371 ND2 ASN A 25 -1.108 15.949 3.659 1.00 0.00 N ATOM 0 H ASN A 25 -1.295 13.463 -0.366 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.476 14.030 1.388 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.950 14.251 1.792 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.973 15.662 0.753 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.304 16.508 4.489 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.260 15.384 3.613 1.00 0.00 H new ATOM 378 N GLU A 26 -2.765 16.166 -0.978 1.00 0.00 N ATOM 379 CA GLU A 26 -3.164 17.311 -1.778 1.00 0.00 C ATOM 380 C GLU A 26 -4.455 17.042 -2.551 1.00 0.00 C ATOM 381 O GLU A 26 -5.331 17.895 -2.619 1.00 0.00 O ATOM 382 CB GLU A 26 -2.008 17.664 -2.717 1.00 0.00 C ATOM 383 CG GLU A 26 -2.168 18.916 -3.535 1.00 0.00 C ATOM 384 CD GLU A 26 -0.915 19.216 -4.316 1.00 0.00 C ATOM 385 OE1 GLU A 26 0.034 19.780 -3.734 1.00 0.00 O ATOM 386 OE2 GLU A 26 -0.848 18.880 -5.509 1.00 0.00 O ATOM 0 H GLU A 26 -1.845 15.807 -1.233 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.377 18.156 -1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.101 17.759 -2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.855 16.828 -3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.009 18.802 -4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.402 19.755 -2.880 1.00 0.00 H new ATOM 393 N SER A 27 -4.584 15.851 -3.103 1.00 0.00 N ATOM 394 CA SER A 27 -5.778 15.501 -3.848 1.00 0.00 C ATOM 395 C SER A 27 -6.833 14.860 -2.915 1.00 0.00 C ATOM 396 O SER A 27 -7.924 14.481 -3.356 1.00 0.00 O ATOM 397 CB SER A 27 -5.408 14.559 -5.012 1.00 0.00 C ATOM 398 OG SER A 27 -6.522 14.252 -5.851 1.00 0.00 O ATOM 0 H SER A 27 -3.881 15.113 -3.050 1.00 0.00 H new ATOM 0 HA SER A 27 -6.219 16.406 -4.266 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.624 15.021 -5.612 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.997 13.634 -4.608 1.00 0.00 H new ATOM 0 HG SER A 27 -7.338 14.210 -5.309 1.00 0.00 H new ATOM 404 N LYS A 28 -6.491 14.762 -1.614 1.00 0.00 N ATOM 405 CA LYS A 28 -7.351 14.156 -0.578 1.00 0.00 C ATOM 406 C LYS A 28 -7.793 12.752 -0.951 1.00 0.00 C ATOM 407 O LYS A 28 -8.938 12.347 -0.729 1.00 0.00 O ATOM 408 CB LYS A 28 -8.536 15.031 -0.241 1.00 0.00 C ATOM 409 CG LYS A 28 -8.157 16.379 0.346 1.00 0.00 C ATOM 410 CD LYS A 28 -9.374 17.148 0.829 1.00 0.00 C ATOM 411 CE LYS A 28 -10.368 17.416 -0.288 1.00 0.00 C ATOM 412 NZ LYS A 28 -11.554 18.134 0.210 1.00 0.00 N ATOM 0 H LYS A 28 -5.602 15.105 -1.250 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.739 14.076 0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.125 15.191 -1.144 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.175 14.504 0.467 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.467 16.232 1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.630 16.967 -0.406 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.866 16.585 1.622 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.054 18.096 1.262 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.888 18.002 -1.072 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.675 16.472 -0.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.214 18.302 -0.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.024 17.562 0.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.262 19.045 0.618 1.00 0.00 H new ATOM 426 N THR A 29 -6.882 12.017 -1.486 1.00 0.00 N ATOM 427 CA THR A 29 -7.121 10.677 -1.868 1.00 0.00 C ATOM 428 C THR A 29 -6.448 9.789 -0.844 1.00 0.00 C ATOM 429 O THR A 29 -5.403 10.143 -0.291 1.00 0.00 O ATOM 430 CB THR A 29 -6.510 10.383 -3.223 1.00 0.00 C ATOM 431 OG1 THR A 29 -6.810 11.462 -4.122 1.00 0.00 O ATOM 432 CG2 THR A 29 -7.090 9.097 -3.801 1.00 0.00 C ATOM 0 H THR A 29 -5.933 12.340 -1.672 1.00 0.00 H new ATOM 0 HA THR A 29 -8.195 10.501 -1.924 1.00 0.00 H new ATOM 0 HB THR A 29 -5.432 10.272 -3.103 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.415 11.276 -4.999 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.641 8.900 -4.774 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.876 8.267 -3.128 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.169 9.203 -3.914 1.00 0.00 H new ATOM 440 N LEU A 30 -7.045 8.702 -0.563 1.00 0.00 N ATOM 441 CA LEU A 30 -6.542 7.791 0.324 1.00 0.00 C ATOM 442 C LEU A 30 -5.534 6.894 -0.368 1.00 0.00 C ATOM 443 O LEU A 30 -5.683 6.573 -1.548 1.00 0.00 O ATOM 444 CB LEU A 30 -7.644 7.025 1.038 1.00 0.00 C ATOM 445 CG LEU A 30 -8.582 6.040 0.302 1.00 0.00 C ATOM 446 CD1 LEU A 30 -9.360 6.650 -0.856 1.00 0.00 C ATOM 447 CD2 LEU A 30 -7.904 4.725 -0.071 1.00 0.00 C ATOM 0 H LEU A 30 -7.937 8.429 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.011 8.324 1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.164 6.460 1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.284 7.769 1.513 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.340 5.793 1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.991 5.887 -1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.984 7.464 -0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.663 7.037 -1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.618 4.080 -0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.058 4.925 -0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.551 4.228 0.833 1.00 0.00 H new ATOM 459 N VAL A 31 -4.519 6.554 0.331 1.00 0.00 N ATOM 460 CA VAL A 31 -3.436 5.788 -0.230 1.00 0.00 C ATOM 461 C VAL A 31 -3.220 4.498 0.556 1.00 0.00 C ATOM 462 O VAL A 31 -3.298 4.487 1.795 1.00 0.00 O ATOM 463 CB VAL A 31 -2.118 6.637 -0.325 1.00 0.00 C ATOM 464 CG1 VAL A 31 -1.650 7.139 1.028 1.00 0.00 C ATOM 465 CG2 VAL A 31 -1.009 5.891 -1.035 1.00 0.00 C ATOM 0 H VAL A 31 -4.400 6.793 1.316 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.712 5.514 -1.248 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.369 7.511 -0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.736 7.720 0.904 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.423 7.768 1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.455 6.290 1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.118 6.517 -1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.782 4.973 -0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.327 5.644 -2.048 1.00 0.00 H new ATOM 475 N VAL A 32 -2.994 3.422 -0.162 1.00 0.00 N ATOM 476 CA VAL A 32 -2.746 2.134 0.430 1.00 0.00 C ATOM 477 C VAL A 32 -1.312 1.749 0.152 1.00 0.00 C ATOM 478 O VAL A 32 -0.888 1.689 -1.010 1.00 0.00 O ATOM 479 CB VAL A 32 -3.689 1.058 -0.136 1.00 0.00 C ATOM 480 CG1 VAL A 32 -3.434 -0.296 0.520 1.00 0.00 C ATOM 481 CG2 VAL A 32 -5.147 1.469 0.023 1.00 0.00 C ATOM 0 H VAL A 32 -2.978 3.419 -1.182 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.929 2.200 1.503 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.480 0.961 -1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.114 -1.037 0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.405 -0.602 0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.601 -0.217 1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.791 0.690 -0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.372 1.609 1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.322 2.402 -0.512 1.00 0.00 H new ATOM 491 N VAL A 33 -0.561 1.506 1.184 1.00 0.00 N ATOM 492 CA VAL A 33 0.840 1.221 1.018 1.00 0.00 C ATOM 493 C VAL A 33 1.189 -0.162 1.544 1.00 0.00 C ATOM 494 O VAL A 33 0.788 -0.537 2.639 1.00 0.00 O ATOM 495 CB VAL A 33 1.723 2.286 1.710 1.00 0.00 C ATOM 496 CG1 VAL A 33 3.191 1.999 1.466 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.362 3.686 1.222 1.00 0.00 C ATOM 0 H VAL A 33 -0.890 1.498 2.149 1.00 0.00 H new ATOM 0 HA VAL A 33 1.044 1.248 -0.052 1.00 0.00 H new ATOM 0 HB VAL A 33 1.537 2.240 2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.797 2.758 1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.441 1.017 1.867 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.392 2.015 0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.995 4.420 1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.516 3.747 0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.317 3.893 1.451 1.00 0.00 H new ATOM 507 N ASP A 34 1.921 -0.887 0.752 1.00 0.00 N ATOM 508 CA ASP A 34 2.387 -2.221 1.067 1.00 0.00 C ATOM 509 C ASP A 34 3.886 -2.142 1.323 1.00 0.00 C ATOM 510 O ASP A 34 4.658 -1.820 0.407 1.00 0.00 O ATOM 511 CB ASP A 34 2.129 -3.114 -0.158 1.00 0.00 C ATOM 512 CG ASP A 34 2.498 -4.587 -0.007 1.00 0.00 C ATOM 513 OD1 ASP A 34 3.520 -4.923 0.592 1.00 0.00 O ATOM 514 OD2 ASP A 34 1.788 -5.432 -0.590 1.00 0.00 O ATOM 0 H ASP A 34 2.225 -0.562 -0.166 1.00 0.00 H new ATOM 0 HA ASP A 34 1.876 -2.626 1.940 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.071 -3.050 -0.412 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.685 -2.706 -1.002 1.00 0.00 H new ATOM 519 N PHE A 35 4.298 -2.364 2.541 1.00 0.00 N ATOM 520 CA PHE A 35 5.688 -2.364 2.866 1.00 0.00 C ATOM 521 C PHE A 35 6.166 -3.798 2.831 1.00 0.00 C ATOM 522 O PHE A 35 5.733 -4.627 3.655 1.00 0.00 O ATOM 523 CB PHE A 35 5.882 -1.789 4.257 1.00 0.00 C ATOM 524 CG PHE A 35 5.379 -0.375 4.437 1.00 0.00 C ATOM 525 CD1 PHE A 35 4.073 -0.131 4.850 1.00 0.00 C ATOM 526 CD2 PHE A 35 6.215 0.705 4.212 1.00 0.00 C ATOM 527 CE1 PHE A 35 3.617 1.160 5.031 1.00 0.00 C ATOM 528 CE2 PHE A 35 5.763 1.999 4.389 1.00 0.00 C ATOM 529 CZ PHE A 35 4.465 2.227 4.801 1.00 0.00 C ATOM 0 H PHE A 35 3.678 -2.549 3.330 1.00 0.00 H new ATOM 0 HA PHE A 35 6.252 -1.758 2.157 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.375 -2.434 4.975 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.944 -1.815 4.500 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.407 -0.962 5.031 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.233 0.534 3.894 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.601 1.335 5.351 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.425 2.832 4.205 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.113 3.238 4.943 1.00 0.00 H new ATOM 539 N THR A 36 7.067 -4.093 1.934 1.00 0.00 N ATOM 540 CA THR A 36 7.447 -5.451 1.700 1.00 0.00 C ATOM 541 C THR A 36 8.855 -5.519 1.084 1.00 0.00 C ATOM 542 O THR A 36 9.499 -4.496 0.885 1.00 0.00 O ATOM 543 CB THR A 36 6.414 -6.096 0.745 1.00 0.00 C ATOM 544 OG1 THR A 36 6.609 -7.502 0.647 1.00 0.00 O ATOM 545 CG2 THR A 36 6.492 -5.479 -0.651 1.00 0.00 C ATOM 0 H THR A 36 7.550 -3.407 1.354 1.00 0.00 H new ATOM 0 HA THR A 36 7.467 -5.993 2.646 1.00 0.00 H new ATOM 0 HB THR A 36 5.427 -5.903 1.166 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.096 -7.708 -0.178 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.755 -5.952 -1.300 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.287 -4.410 -0.588 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.490 -5.634 -1.062 1.00 0.00 H new ATOM 553 N ALA A 37 9.330 -6.719 0.848 1.00 0.00 N ATOM 554 CA ALA A 37 10.585 -6.947 0.172 1.00 0.00 C ATOM 555 C ALA A 37 10.391 -8.067 -0.826 1.00 0.00 C ATOM 556 O ALA A 37 9.657 -9.028 -0.542 1.00 0.00 O ATOM 557 CB ALA A 37 11.689 -7.287 1.151 1.00 0.00 C ATOM 0 H ALA A 37 8.849 -7.575 1.124 1.00 0.00 H new ATOM 0 HA ALA A 37 10.888 -6.035 -0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.619 -7.452 0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.820 -6.463 1.852 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.424 -8.191 1.699 1.00 0.00 H new ATOM 563 N SER A 38 11.046 -7.979 -1.964 1.00 0.00 N ATOM 564 CA SER A 38 10.886 -8.973 -3.013 1.00 0.00 C ATOM 565 C SER A 38 11.471 -10.328 -2.590 1.00 0.00 C ATOM 566 O SER A 38 11.059 -11.369 -3.085 1.00 0.00 O ATOM 567 CB SER A 38 11.510 -8.487 -4.336 1.00 0.00 C ATOM 568 OG SER A 38 11.269 -9.410 -5.400 1.00 0.00 O ATOM 0 H SER A 38 11.698 -7.228 -2.190 1.00 0.00 H new ATOM 0 HA SER A 38 9.818 -9.112 -3.178 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.097 -7.513 -4.598 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.584 -8.353 -4.205 1.00 0.00 H new ATOM 0 HG SER A 38 11.676 -9.072 -6.225 1.00 0.00 H new ATOM 574 N TRP A 39 12.396 -10.318 -1.635 1.00 0.00 N ATOM 575 CA TRP A 39 12.998 -11.561 -1.163 1.00 0.00 C ATOM 576 C TRP A 39 12.096 -12.318 -0.179 1.00 0.00 C ATOM 577 O TRP A 39 12.469 -13.374 0.335 1.00 0.00 O ATOM 578 CB TRP A 39 14.430 -11.349 -0.602 1.00 0.00 C ATOM 579 CG TRP A 39 14.595 -10.274 0.448 1.00 0.00 C ATOM 580 CD1 TRP A 39 15.171 -9.059 0.255 1.00 0.00 C ATOM 581 CD2 TRP A 39 14.206 -10.314 1.840 1.00 0.00 C ATOM 582 NE1 TRP A 39 15.177 -8.340 1.423 1.00 0.00 N ATOM 583 CE2 TRP A 39 14.590 -9.084 2.410 1.00 0.00 C ATOM 584 CE3 TRP A 39 13.579 -11.262 2.653 1.00 0.00 C ATOM 585 CZ2 TRP A 39 14.364 -8.779 3.752 1.00 0.00 C ATOM 586 CZ3 TRP A 39 13.354 -10.959 3.981 1.00 0.00 C ATOM 587 CH2 TRP A 39 13.747 -9.729 4.520 1.00 0.00 C ATOM 0 H TRP A 39 12.742 -9.475 -1.177 1.00 0.00 H new ATOM 0 HA TRP A 39 13.099 -12.200 -2.040 1.00 0.00 H new ATOM 0 HB2 TRP A 39 14.773 -12.293 -0.179 1.00 0.00 H new ATOM 0 HB3 TRP A 39 15.091 -11.114 -1.436 1.00 0.00 H new ATOM 0 HD1 TRP A 39 15.568 -8.708 -0.686 1.00 0.00 H new ATOM 0 HE1 TRP A 39 15.558 -7.401 1.538 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.275 -12.216 2.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 14.664 -7.829 4.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 12.866 -11.684 4.615 1.00 0.00 H new ATOM 0 HH2 TRP A 39 13.560 -9.525 5.564 1.00 0.00 H new ATOM 598 N CYS A 40 10.914 -11.790 0.049 1.00 0.00 N ATOM 599 CA CYS A 40 9.943 -12.410 0.921 1.00 0.00 C ATOM 600 C CYS A 40 8.974 -13.271 0.096 1.00 0.00 C ATOM 601 O CYS A 40 8.330 -12.775 -0.836 1.00 0.00 O ATOM 602 CB CYS A 40 9.192 -11.334 1.707 1.00 0.00 C ATOM 603 SG CYS A 40 7.841 -11.952 2.764 1.00 0.00 S ATOM 0 H CYS A 40 10.598 -10.914 -0.368 1.00 0.00 H new ATOM 0 HA CYS A 40 10.453 -13.060 1.632 1.00 0.00 H new ATOM 0 HB2 CYS A 40 9.906 -10.798 2.332 1.00 0.00 H new ATOM 0 HB3 CYS A 40 8.780 -10.612 1.002 1.00 0.00 H new ATOM 608 N GLY A 41 8.879 -14.548 0.455 1.00 0.00 N ATOM 609 CA GLY A 41 8.058 -15.520 -0.280 1.00 0.00 C ATOM 610 C GLY A 41 6.558 -15.192 -0.313 1.00 0.00 C ATOM 611 O GLY A 41 6.020 -14.891 -1.382 1.00 0.00 O ATOM 0 H GLY A 41 9.365 -14.943 1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.425 -15.586 -1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.192 -16.504 0.170 1.00 0.00 H new ATOM 615 N PRO A 42 5.852 -15.225 0.855 1.00 0.00 N ATOM 616 CA PRO A 42 4.398 -14.943 0.924 1.00 0.00 C ATOM 617 C PRO A 42 4.078 -13.549 0.399 1.00 0.00 C ATOM 618 O PRO A 42 3.010 -13.298 -0.169 1.00 0.00 O ATOM 619 CB PRO A 42 4.087 -15.024 2.424 1.00 0.00 C ATOM 620 CG PRO A 42 5.179 -15.858 2.996 1.00 0.00 C ATOM 621 CD PRO A 42 6.402 -15.548 2.186 1.00 0.00 C ATOM 0 HA PRO A 42 3.813 -15.636 0.319 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.067 -14.033 2.878 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.111 -15.475 2.601 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.338 -15.624 4.049 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.931 -16.918 2.939 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.961 -14.711 2.605 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.084 -16.398 2.145 1.00 0.00 H new ATOM 629 N CYS A 43 5.026 -12.665 0.574 1.00 0.00 N ATOM 630 CA CYS A 43 4.931 -11.288 0.142 1.00 0.00 C ATOM 631 C CYS A 43 4.867 -11.199 -1.393 1.00 0.00 C ATOM 632 O CYS A 43 4.229 -10.314 -1.959 1.00 0.00 O ATOM 633 CB CYS A 43 6.146 -10.545 0.648 1.00 0.00 C ATOM 634 SG CYS A 43 6.356 -10.603 2.468 1.00 0.00 S ATOM 0 H CYS A 43 5.910 -12.885 1.033 1.00 0.00 H new ATOM 0 HA CYS A 43 4.019 -10.845 0.543 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.036 -10.963 0.177 1.00 0.00 H new ATOM 0 HB3 CYS A 43 6.078 -9.503 0.334 1.00 0.00 H new ATOM 639 N ARG A 44 5.520 -12.121 -2.049 1.00 0.00 N ATOM 640 CA ARG A 44 5.520 -12.169 -3.495 1.00 0.00 C ATOM 641 C ARG A 44 4.204 -12.774 -3.996 1.00 0.00 C ATOM 642 O ARG A 44 3.691 -12.393 -5.046 1.00 0.00 O ATOM 643 CB ARG A 44 6.718 -12.976 -3.985 1.00 0.00 C ATOM 644 CG ARG A 44 6.865 -13.054 -5.491 1.00 0.00 C ATOM 645 CD ARG A 44 8.105 -13.831 -5.841 1.00 0.00 C ATOM 646 NE ARG A 44 8.343 -13.925 -7.279 1.00 0.00 N ATOM 647 CZ ARG A 44 9.474 -14.391 -7.817 1.00 0.00 C ATOM 648 NH1 ARG A 44 10.480 -14.751 -7.023 1.00 0.00 N ATOM 649 NH2 ARG A 44 9.610 -14.478 -9.136 1.00 0.00 N ATOM 0 H ARG A 44 6.066 -12.858 -1.603 1.00 0.00 H new ATOM 0 HA ARG A 44 5.603 -11.158 -3.894 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.626 -12.539 -3.569 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.641 -13.989 -3.590 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.989 -13.534 -5.927 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.922 -12.051 -5.913 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.966 -13.359 -5.368 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.024 -14.836 -5.427 1.00 0.00 H new ATOM 0 HE ARG A 44 7.603 -13.617 -7.909 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.385 -14.670 -6.011 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.346 -15.108 -7.427 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.847 -14.188 -9.748 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.477 -14.835 -9.537 1.00 0.00 H new ATOM 663 N PHE A 45 3.651 -13.683 -3.216 1.00 0.00 N ATOM 664 CA PHE A 45 2.396 -14.342 -3.560 1.00 0.00 C ATOM 665 C PHE A 45 1.201 -13.391 -3.417 1.00 0.00 C ATOM 666 O PHE A 45 0.201 -13.520 -4.124 1.00 0.00 O ATOM 667 CB PHE A 45 2.191 -15.604 -2.700 1.00 0.00 C ATOM 668 CG PHE A 45 0.887 -16.315 -2.962 1.00 0.00 C ATOM 669 CD1 PHE A 45 0.741 -17.138 -4.062 1.00 0.00 C ATOM 670 CD2 PHE A 45 -0.196 -16.143 -2.112 1.00 0.00 C ATOM 671 CE1 PHE A 45 -0.456 -17.779 -4.311 1.00 0.00 C ATOM 672 CE2 PHE A 45 -1.391 -16.778 -2.358 1.00 0.00 C ATOM 673 CZ PHE A 45 -1.522 -17.599 -3.459 1.00 0.00 C ATOM 0 H PHE A 45 4.053 -13.988 -2.329 1.00 0.00 H new ATOM 0 HA PHE A 45 2.457 -14.640 -4.607 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.014 -16.295 -2.884 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.237 -15.326 -1.647 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.573 -17.282 -4.735 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.100 -15.503 -1.247 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.556 -18.421 -5.174 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.227 -16.634 -1.689 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.459 -18.100 -3.652 1.00 0.00 H new ATOM 683 N ILE A 46 1.313 -12.427 -2.534 1.00 0.00 N ATOM 684 CA ILE A 46 0.210 -11.504 -2.297 1.00 0.00 C ATOM 685 C ILE A 46 0.295 -10.328 -3.304 1.00 0.00 C ATOM 686 O ILE A 46 -0.663 -9.568 -3.496 1.00 0.00 O ATOM 687 CB ILE A 46 0.247 -10.961 -0.820 1.00 0.00 C ATOM 688 CG1 ILE A 46 -1.037 -10.214 -0.453 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.452 -10.071 -0.584 1.00 0.00 C ATOM 690 CD1 ILE A 46 -2.250 -11.108 -0.364 1.00 0.00 C ATOM 0 H ILE A 46 2.145 -12.256 -1.969 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.732 -12.034 -2.439 1.00 0.00 H new ATOM 0 HB ILE A 46 0.328 -11.833 -0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.895 -9.712 0.504 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.221 -9.438 -1.196 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.445 -9.714 0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.365 -10.639 -0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.414 -9.219 -1.263 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.123 -10.511 -0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.418 -11.591 -1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.086 -11.869 0.399 1.00 0.00 H new ATOM 702 N ALA A 47 1.448 -10.230 -3.973 1.00 0.00 N ATOM 703 CA ALA A 47 1.723 -9.163 -4.931 1.00 0.00 C ATOM 704 C ALA A 47 0.699 -9.076 -6.096 1.00 0.00 C ATOM 705 O ALA A 47 0.186 -7.982 -6.357 1.00 0.00 O ATOM 706 CB ALA A 47 3.160 -9.230 -5.449 1.00 0.00 C ATOM 0 H ALA A 47 2.216 -10.892 -3.863 1.00 0.00 H new ATOM 0 HA ALA A 47 1.604 -8.235 -4.372 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.329 -8.421 -6.160 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.853 -9.130 -4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.324 -10.187 -5.944 1.00 0.00 H new ATOM 712 N PRO A 48 0.364 -10.206 -6.818 1.00 0.00 N ATOM 713 CA PRO A 48 -0.594 -10.156 -7.932 1.00 0.00 C ATOM 714 C PRO A 48 -1.978 -9.710 -7.473 1.00 0.00 C ATOM 715 O PRO A 48 -2.688 -9.014 -8.202 1.00 0.00 O ATOM 716 CB PRO A 48 -0.651 -11.603 -8.444 1.00 0.00 C ATOM 717 CG PRO A 48 0.600 -12.227 -7.951 1.00 0.00 C ATOM 718 CD PRO A 48 0.880 -11.581 -6.632 1.00 0.00 C ATOM 0 HA PRO A 48 -0.286 -9.439 -8.693 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -1.530 -12.123 -8.063 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -0.708 -11.636 -9.532 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.484 -13.305 -7.842 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.421 -12.064 -8.649 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.373 -12.095 -5.815 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.945 -11.584 -6.399 1.00 0.00 H new ATOM 726 N PHE A 49 -2.342 -10.077 -6.257 1.00 0.00 N ATOM 727 CA PHE A 49 -3.644 -9.725 -5.736 1.00 0.00 C ATOM 728 C PHE A 49 -3.681 -8.238 -5.392 1.00 0.00 C ATOM 729 O PHE A 49 -4.642 -7.550 -5.698 1.00 0.00 O ATOM 730 CB PHE A 49 -4.010 -10.590 -4.517 1.00 0.00 C ATOM 731 CG PHE A 49 -5.414 -10.364 -4.018 1.00 0.00 C ATOM 732 CD1 PHE A 49 -6.487 -11.002 -4.617 1.00 0.00 C ATOM 733 CD2 PHE A 49 -5.663 -9.514 -2.965 1.00 0.00 C ATOM 734 CE1 PHE A 49 -7.774 -10.795 -4.178 1.00 0.00 C ATOM 735 CE2 PHE A 49 -6.947 -9.305 -2.520 1.00 0.00 C ATOM 736 CZ PHE A 49 -8.004 -9.947 -3.129 1.00 0.00 C ATOM 0 H PHE A 49 -1.756 -10.615 -5.618 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.391 -9.922 -6.505 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.891 -11.641 -4.779 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.308 -10.381 -3.710 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.310 -11.674 -5.444 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.841 -9.006 -2.483 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.599 -11.299 -4.659 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.128 -8.636 -1.691 1.00 0.00 H new ATOM 0 HZ PHE A 49 -9.012 -9.781 -2.779 1.00 0.00 H new ATOM 746 N PHE A 50 -2.608 -7.749 -4.790 1.00 0.00 N ATOM 747 CA PHE A 50 -2.503 -6.336 -4.425 1.00 0.00 C ATOM 748 C PHE A 50 -2.465 -5.471 -5.699 1.00 0.00 C ATOM 749 O PHE A 50 -2.983 -4.354 -5.727 1.00 0.00 O ATOM 750 CB PHE A 50 -1.254 -6.112 -3.543 1.00 0.00 C ATOM 751 CG PHE A 50 -1.150 -4.740 -2.927 1.00 0.00 C ATOM 752 CD1 PHE A 50 -1.865 -4.433 -1.782 1.00 0.00 C ATOM 753 CD2 PHE A 50 -0.334 -3.769 -3.479 1.00 0.00 C ATOM 754 CE1 PHE A 50 -1.771 -3.184 -1.200 1.00 0.00 C ATOM 755 CE2 PHE A 50 -0.237 -2.517 -2.902 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.956 -2.225 -1.762 1.00 0.00 C ATOM 0 H PHE A 50 -1.792 -8.308 -4.541 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.376 -6.039 -3.845 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.253 -6.854 -2.744 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.364 -6.292 -4.146 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.505 -5.181 -1.338 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.233 -3.992 -4.371 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.335 -2.959 -0.307 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.402 -1.767 -3.344 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.881 -1.247 -1.310 1.00 0.00 H new ATOM 766 N ALA A 51 -1.867 -6.011 -6.750 1.00 0.00 N ATOM 767 CA ALA A 51 -1.806 -5.335 -8.041 1.00 0.00 C ATOM 768 C ALA A 51 -3.192 -5.272 -8.674 1.00 0.00 C ATOM 769 O ALA A 51 -3.516 -4.337 -9.415 1.00 0.00 O ATOM 770 CB ALA A 51 -0.844 -6.049 -8.971 1.00 0.00 C ATOM 0 H ALA A 51 -1.413 -6.924 -6.735 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.446 -4.319 -7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.812 -5.530 -9.929 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.152 -6.056 -8.528 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.180 -7.074 -9.125 1.00 0.00 H new ATOM 776 N ASP A 52 -4.004 -6.263 -8.375 1.00 0.00 N ATOM 777 CA ASP A 52 -5.363 -6.323 -8.887 1.00 0.00 C ATOM 778 C ASP A 52 -6.190 -5.314 -8.151 1.00 0.00 C ATOM 779 O ASP A 52 -6.976 -4.585 -8.744 1.00 0.00 O ATOM 780 CB ASP A 52 -5.940 -7.698 -8.669 1.00 0.00 C ATOM 781 CG ASP A 52 -7.263 -7.895 -9.374 1.00 0.00 C ATOM 782 OD1 ASP A 52 -7.259 -8.201 -10.595 1.00 0.00 O ATOM 783 OD2 ASP A 52 -8.315 -7.805 -8.724 1.00 0.00 O ATOM 0 H ASP A 52 -3.747 -7.046 -7.775 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.363 -6.109 -9.956 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.230 -8.446 -9.023 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.074 -7.866 -7.600 1.00 0.00 H new ATOM 788 N LEU A 53 -5.973 -5.267 -6.841 1.00 0.00 N ATOM 789 CA LEU A 53 -6.583 -4.307 -5.959 1.00 0.00 C ATOM 790 C LEU A 53 -6.338 -2.885 -6.447 1.00 0.00 C ATOM 791 O LEU A 53 -7.242 -2.046 -6.423 1.00 0.00 O ATOM 792 CB LEU A 53 -6.011 -4.474 -4.555 1.00 0.00 C ATOM 793 CG LEU A 53 -6.354 -5.747 -3.800 1.00 0.00 C ATOM 794 CD1 LEU A 53 -5.738 -5.713 -2.407 1.00 0.00 C ATOM 795 CD2 LEU A 53 -7.858 -5.930 -3.704 1.00 0.00 C ATOM 0 H LEU A 53 -5.350 -5.917 -6.361 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.659 -4.483 -5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.925 -4.408 -4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.344 -3.628 -3.954 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.942 -6.593 -4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.990 -6.630 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.654 -5.628 -2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.128 -4.856 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.079 -6.848 -3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.295 -5.082 -3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.282 -5.992 -4.706 1.00 0.00 H new ATOM 807 N ALA A 54 -5.124 -2.635 -6.906 1.00 0.00 N ATOM 808 CA ALA A 54 -4.748 -1.335 -7.438 1.00 0.00 C ATOM 809 C ALA A 54 -5.555 -0.992 -8.674 1.00 0.00 C ATOM 810 O ALA A 54 -5.872 0.159 -8.924 1.00 0.00 O ATOM 811 CB ALA A 54 -3.259 -1.306 -7.753 1.00 0.00 C ATOM 0 H ALA A 54 -4.373 -3.325 -6.921 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.965 -0.584 -6.678 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.990 -0.327 -8.151 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.691 -1.496 -6.843 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.028 -2.074 -8.492 1.00 0.00 H new ATOM 817 N LYS A 55 -5.888 -1.996 -9.435 1.00 0.00 N ATOM 818 CA LYS A 55 -6.637 -1.811 -10.650 1.00 0.00 C ATOM 819 C LYS A 55 -8.132 -1.653 -10.350 1.00 0.00 C ATOM 820 O LYS A 55 -8.890 -1.143 -11.175 1.00 0.00 O ATOM 821 CB LYS A 55 -6.353 -2.976 -11.606 1.00 0.00 C ATOM 822 CG LYS A 55 -6.913 -2.828 -13.008 1.00 0.00 C ATOM 823 CD LYS A 55 -6.396 -3.946 -13.885 1.00 0.00 C ATOM 824 CE LYS A 55 -6.843 -3.810 -15.322 1.00 0.00 C ATOM 825 NZ LYS A 55 -6.230 -4.854 -16.172 1.00 0.00 N ATOM 0 H LYS A 55 -5.649 -2.967 -9.232 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.321 -0.890 -11.139 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.273 -3.108 -11.678 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.757 -3.888 -11.168 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.002 -2.850 -12.979 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.625 -1.863 -13.425 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.307 -3.959 -13.847 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.740 -4.902 -13.490 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.929 -3.884 -15.377 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.571 -2.824 -15.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.554 -4.737 -17.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.194 -4.767 -16.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.510 -5.793 -15.825 1.00 0.00 H new ATOM 839 N LYS A 56 -8.552 -2.096 -9.167 1.00 0.00 N ATOM 840 CA LYS A 56 -9.952 -1.989 -8.764 1.00 0.00 C ATOM 841 C LYS A 56 -10.304 -0.542 -8.485 1.00 0.00 C ATOM 842 O LYS A 56 -11.396 -0.079 -8.829 1.00 0.00 O ATOM 843 CB LYS A 56 -10.253 -2.829 -7.504 1.00 0.00 C ATOM 844 CG LYS A 56 -9.940 -4.351 -7.544 1.00 0.00 C ATOM 845 CD LYS A 56 -10.704 -5.142 -8.622 1.00 0.00 C ATOM 846 CE LYS A 56 -10.117 -4.967 -10.025 1.00 0.00 C ATOM 847 NZ LYS A 56 -10.871 -5.722 -11.039 1.00 0.00 N ATOM 0 H LYS A 56 -7.945 -2.531 -8.473 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.555 -2.373 -9.587 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.695 -2.396 -6.674 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.312 -2.713 -7.271 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.870 -4.483 -7.707 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.169 -4.780 -6.569 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.697 -6.200 -8.361 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.746 -4.823 -8.628 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.116 -3.909 -10.288 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.078 -5.297 -10.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.439 -5.575 -11.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.851 -6.735 -10.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.857 -5.390 -11.057 1.00 0.00 H new ATOM 861 N LEU A 57 -9.387 0.170 -7.863 1.00 0.00 N ATOM 862 CA LEU A 57 -9.603 1.535 -7.518 1.00 0.00 C ATOM 863 C LEU A 57 -8.696 2.455 -8.323 1.00 0.00 C ATOM 864 O LEU A 57 -7.517 2.592 -8.024 1.00 0.00 O ATOM 865 CB LEU A 57 -9.426 1.719 -6.027 1.00 0.00 C ATOM 866 CG LEU A 57 -10.464 1.002 -5.165 1.00 0.00 C ATOM 867 CD1 LEU A 57 -10.090 1.062 -3.696 1.00 0.00 C ATOM 868 CD2 LEU A 57 -11.847 1.611 -5.370 1.00 0.00 C ATOM 0 H LEU A 57 -8.475 -0.194 -7.588 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.627 1.810 -7.772 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.434 1.364 -5.747 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.460 2.785 -5.800 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.486 -0.043 -5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.846 0.544 -3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.123 0.583 -3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.032 2.103 -3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.572 1.086 -4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.825 2.665 -5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.134 1.518 -6.417 1.00 0.00 H new ATOM 880 N PRO A 58 -9.256 3.083 -9.370 1.00 0.00 N ATOM 881 CA PRO A 58 -8.500 3.935 -10.309 1.00 0.00 C ATOM 882 C PRO A 58 -7.929 5.219 -9.690 1.00 0.00 C ATOM 883 O PRO A 58 -6.878 5.705 -10.109 1.00 0.00 O ATOM 884 CB PRO A 58 -9.541 4.289 -11.379 1.00 0.00 C ATOM 885 CG PRO A 58 -10.856 4.141 -10.692 1.00 0.00 C ATOM 886 CD PRO A 58 -10.683 3.001 -9.736 1.00 0.00 C ATOM 0 HA PRO A 58 -7.619 3.408 -10.677 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.399 5.305 -11.748 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.467 3.624 -12.239 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.129 5.056 -10.166 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.652 3.935 -11.408 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -11.329 3.105 -8.864 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.925 2.045 -10.201 1.00 0.00 H new ATOM 894 N ASN A 59 -8.606 5.770 -8.702 1.00 0.00 N ATOM 895 CA ASN A 59 -8.148 7.030 -8.126 1.00 0.00 C ATOM 896 C ASN A 59 -7.203 6.773 -6.963 1.00 0.00 C ATOM 897 O ASN A 59 -6.388 7.622 -6.606 1.00 0.00 O ATOM 898 CB ASN A 59 -9.328 7.890 -7.658 1.00 0.00 C ATOM 899 CG ASN A 59 -8.910 9.304 -7.232 1.00 0.00 C ATOM 900 OD1 ASN A 59 -7.961 9.883 -7.780 1.00 0.00 O ATOM 901 ND2 ASN A 59 -9.588 9.858 -6.251 1.00 0.00 N ATOM 0 H ASN A 59 -9.453 5.382 -8.287 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.615 7.574 -8.905 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.060 7.961 -8.462 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -9.821 7.396 -6.821 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.338 10.790 -5.921 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.364 9.356 -5.820 1.00 0.00 H new ATOM 908 N VAL A 60 -7.267 5.584 -6.421 1.00 0.00 N ATOM 909 CA VAL A 60 -6.501 5.248 -5.245 1.00 0.00 C ATOM 910 C VAL A 60 -5.098 4.800 -5.614 1.00 0.00 C ATOM 911 O VAL A 60 -4.899 3.999 -6.530 1.00 0.00 O ATOM 912 CB VAL A 60 -7.219 4.168 -4.392 1.00 0.00 C ATOM 913 CG1 VAL A 60 -6.392 3.781 -3.173 1.00 0.00 C ATOM 914 CG2 VAL A 60 -8.589 4.669 -3.962 1.00 0.00 C ATOM 0 H VAL A 60 -7.847 4.825 -6.778 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.418 6.151 -4.640 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.340 3.277 -5.008 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.924 3.023 -2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.431 3.382 -3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.228 4.660 -2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.085 3.904 -3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.475 5.576 -3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.191 4.886 -4.845 1.00 0.00 H new ATOM 924 N LEU A 61 -4.134 5.342 -4.909 1.00 0.00 N ATOM 925 CA LEU A 61 -2.767 5.047 -5.122 1.00 0.00 C ATOM 926 C LEU A 61 -2.331 3.900 -4.231 1.00 0.00 C ATOM 927 O LEU A 61 -2.595 3.901 -3.019 1.00 0.00 O ATOM 928 CB LEU A 61 -1.932 6.287 -4.817 1.00 0.00 C ATOM 929 CG LEU A 61 -2.173 7.519 -5.697 1.00 0.00 C ATOM 930 CD1 LEU A 61 -1.311 8.679 -5.227 1.00 0.00 C ATOM 931 CD2 LEU A 61 -1.878 7.205 -7.161 1.00 0.00 C ATOM 0 H LEU A 61 -4.298 6.013 -4.159 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.621 4.753 -6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.112 6.570 -3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.879 6.015 -4.895 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.222 7.800 -5.610 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.492 9.547 -5.861 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.562 8.924 -4.195 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.259 8.399 -5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.056 8.094 -7.767 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.837 6.898 -7.265 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.530 6.399 -7.499 1.00 0.00 H new ATOM 943 N PHE A 62 -1.706 2.923 -4.827 1.00 0.00 N ATOM 944 CA PHE A 62 -1.149 1.812 -4.108 1.00 0.00 C ATOM 945 C PHE A 62 0.334 1.813 -4.335 1.00 0.00 C ATOM 946 O PHE A 62 0.806 2.003 -5.469 1.00 0.00 O ATOM 947 CB PHE A 62 -1.734 0.482 -4.564 1.00 0.00 C ATOM 948 CG PHE A 62 -3.227 0.323 -4.348 1.00 0.00 C ATOM 949 CD1 PHE A 62 -4.143 1.002 -5.137 1.00 0.00 C ATOM 950 CD2 PHE A 62 -3.705 -0.513 -3.354 1.00 0.00 C ATOM 951 CE1 PHE A 62 -5.500 0.851 -4.937 1.00 0.00 C ATOM 952 CE2 PHE A 62 -5.062 -0.670 -3.151 1.00 0.00 C ATOM 953 CZ PHE A 62 -5.960 0.013 -3.943 1.00 0.00 C ATOM 0 H PHE A 62 -1.568 2.876 -5.836 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.389 1.922 -3.051 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.522 0.355 -5.626 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.220 -0.322 -4.038 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.790 1.658 -5.919 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.007 -1.050 -2.729 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.201 1.389 -5.558 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.419 -1.327 -2.372 1.00 0.00 H new ATOM 0 HZ PHE A 62 -7.022 -0.108 -3.785 1.00 0.00 H new ATOM 963 N LEU A 63 1.060 1.628 -3.295 1.00 0.00 N ATOM 964 CA LEU A 63 2.499 1.692 -3.344 1.00 0.00 C ATOM 965 C LEU A 63 3.148 0.487 -2.713 1.00 0.00 C ATOM 966 O LEU A 63 2.648 -0.063 -1.742 1.00 0.00 O ATOM 967 CB LEU A 63 3.052 2.954 -2.649 1.00 0.00 C ATOM 968 CG LEU A 63 2.868 4.334 -3.321 1.00 0.00 C ATOM 969 CD1 LEU A 63 1.418 4.772 -3.387 1.00 0.00 C ATOM 970 CD2 LEU A 63 3.702 5.372 -2.606 1.00 0.00 C ATOM 0 H LEU A 63 0.682 1.425 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 63 2.745 1.723 -4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.597 3.009 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.121 2.803 -2.500 1.00 0.00 H new ATOM 0 HG LEU A 63 3.209 4.235 -4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.354 5.748 -3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.844 4.045 -3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.012 4.839 -2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.566 6.341 -3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.388 5.436 -1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.753 5.088 -2.652 1.00 0.00 H new ATOM 982 N LYS A 64 4.251 0.089 -3.287 1.00 0.00 N ATOM 983 CA LYS A 64 5.101 -0.913 -2.764 1.00 0.00 C ATOM 984 C LYS A 64 6.313 -0.229 -2.215 1.00 0.00 C ATOM 985 O LYS A 64 7.061 0.410 -2.962 1.00 0.00 O ATOM 986 CB LYS A 64 5.560 -1.864 -3.872 1.00 0.00 C ATOM 987 CG LYS A 64 4.592 -2.951 -4.294 1.00 0.00 C ATOM 988 CD LYS A 64 4.376 -3.983 -3.195 1.00 0.00 C ATOM 989 CE LYS A 64 3.457 -5.104 -3.661 1.00 0.00 C ATOM 990 NZ LYS A 64 3.282 -6.157 -2.627 1.00 0.00 N ATOM 0 H LYS A 64 4.584 0.479 -4.169 1.00 0.00 H new ATOM 0 HA LYS A 64 4.568 -1.483 -2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.802 -1.267 -4.751 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.484 -2.342 -3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.636 -2.501 -4.561 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.971 -3.447 -5.187 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.336 -4.400 -2.891 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.947 -3.499 -2.318 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.484 -4.688 -3.921 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.865 -5.552 -4.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.233 -7.089 -3.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.088 -6.136 -1.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.402 -5.984 -2.101 1.00 0.00 H new ATOM 1004 N VAL A 65 6.504 -0.308 -0.956 1.00 0.00 N ATOM 1005 CA VAL A 65 7.690 0.224 -0.384 1.00 0.00 C ATOM 1006 C VAL A 65 8.560 -0.923 -0.044 1.00 0.00 C ATOM 1007 O VAL A 65 8.198 -1.769 0.782 1.00 0.00 O ATOM 1008 CB VAL A 65 7.415 1.087 0.874 1.00 0.00 C ATOM 1009 CG1 VAL A 65 8.721 1.572 1.503 1.00 0.00 C ATOM 1010 CG2 VAL A 65 6.554 2.274 0.506 1.00 0.00 C ATOM 0 H VAL A 65 5.856 -0.736 -0.294 1.00 0.00 H new ATOM 0 HA VAL A 65 8.167 0.891 -1.102 1.00 0.00 H new ATOM 0 HB VAL A 65 6.891 0.469 1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.499 2.175 2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.325 0.713 1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.271 2.174 0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.365 2.876 1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.069 2.880 -0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.606 1.923 0.097 1.00 0.00 H new ATOM 1020 N ASP A 66 9.687 -0.985 -0.680 1.00 0.00 N ATOM 1021 CA ASP A 66 10.582 -2.054 -0.437 1.00 0.00 C ATOM 1022 C ASP A 66 11.408 -1.716 0.767 1.00 0.00 C ATOM 1023 O ASP A 66 12.196 -0.774 0.746 1.00 0.00 O ATOM 1024 CB ASP A 66 11.446 -2.344 -1.645 1.00 0.00 C ATOM 1025 CG ASP A 66 12.305 -3.575 -1.457 1.00 0.00 C ATOM 1026 OD1 ASP A 66 11.850 -4.693 -1.788 1.00 0.00 O ATOM 1027 OD2 ASP A 66 13.438 -3.447 -0.989 1.00 0.00 O ATOM 0 H ASP A 66 10.003 -0.304 -1.371 1.00 0.00 H new ATOM 0 HA ASP A 66 10.016 -2.966 -0.245 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.810 -2.478 -2.520 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.086 -1.485 -1.845 1.00 0.00 H new ATOM 1032 N THR A 67 11.194 -2.459 1.820 1.00 0.00 N ATOM 1033 CA THR A 67 11.824 -2.214 3.100 1.00 0.00 C ATOM 1034 C THR A 67 13.321 -2.536 3.088 1.00 0.00 C ATOM 1035 O THR A 67 14.035 -2.218 4.042 1.00 0.00 O ATOM 1036 CB THR A 67 11.086 -2.966 4.258 1.00 0.00 C ATOM 1037 OG1 THR A 67 11.708 -2.711 5.528 1.00 0.00 O ATOM 1038 CG2 THR A 67 11.053 -4.462 4.010 1.00 0.00 C ATOM 0 H THR A 67 10.569 -3.265 1.818 1.00 0.00 H new ATOM 0 HA THR A 67 11.736 -1.144 3.290 1.00 0.00 H new ATOM 0 HB THR A 67 10.065 -2.586 4.280 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.622 -2.386 5.385 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.534 -4.956 4.832 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.529 -4.664 3.076 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.072 -4.842 3.944 1.00 0.00 H new ATOM 1046 N ASP A 68 13.790 -3.172 2.033 1.00 0.00 N ATOM 1047 CA ASP A 68 15.207 -3.463 1.911 1.00 0.00 C ATOM 1048 C ASP A 68 15.888 -2.198 1.426 1.00 0.00 C ATOM 1049 O ASP A 68 16.968 -1.819 1.903 1.00 0.00 O ATOM 1050 CB ASP A 68 15.442 -4.608 0.928 1.00 0.00 C ATOM 1051 CG ASP A 68 16.873 -5.087 0.901 1.00 0.00 C ATOM 1052 OD1 ASP A 68 17.689 -4.541 0.137 1.00 0.00 O ATOM 1053 OD2 ASP A 68 17.195 -6.042 1.646 1.00 0.00 O ATOM 0 H ASP A 68 13.217 -3.495 1.253 1.00 0.00 H new ATOM 0 HA ASP A 68 15.615 -3.775 2.873 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.792 -5.442 1.191 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.156 -4.283 -0.072 1.00 0.00 H new ATOM 1058 N GLU A 69 15.217 -1.533 0.495 1.00 0.00 N ATOM 1059 CA GLU A 69 15.621 -0.268 -0.029 1.00 0.00 C ATOM 1060 C GLU A 69 15.410 0.809 1.041 1.00 0.00 C ATOM 1061 O GLU A 69 16.370 1.387 1.574 1.00 0.00 O ATOM 1062 CB GLU A 69 14.740 0.087 -1.226 1.00 0.00 C ATOM 1063 CG GLU A 69 14.788 -0.858 -2.409 1.00 0.00 C ATOM 1064 CD GLU A 69 16.124 -0.907 -3.098 1.00 0.00 C ATOM 1065 OE1 GLU A 69 16.398 -0.011 -3.935 1.00 0.00 O ATOM 1066 OE2 GLU A 69 16.893 -1.856 -2.855 1.00 0.00 O ATOM 0 H GLU A 69 14.353 -1.883 0.082 1.00 0.00 H new ATOM 0 HA GLU A 69 16.669 -0.319 -0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.708 0.150 -0.882 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.021 1.081 -1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 69 14.528 -1.861 -2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.029 -0.558 -3.131 1.00 0.00 H new ATOM 1073 N LEU A 70 14.146 1.040 1.369 1.00 0.00 N ATOM 1074 CA LEU A 70 13.746 2.042 2.278 1.00 0.00 C ATOM 1075 C LEU A 70 13.507 1.483 3.665 1.00 0.00 C ATOM 1076 O LEU A 70 12.365 1.352 4.128 1.00 0.00 O ATOM 1077 CB LEU A 70 12.510 2.737 1.757 1.00 0.00 C ATOM 1078 CG LEU A 70 12.680 3.583 0.496 1.00 0.00 C ATOM 1079 CD1 LEU A 70 11.346 4.157 0.059 1.00 0.00 C ATOM 1080 CD2 LEU A 70 13.686 4.703 0.738 1.00 0.00 C ATOM 0 H LEU A 70 13.367 0.506 0.985 1.00 0.00 H new ATOM 0 HA LEU A 70 14.556 2.766 2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.751 1.980 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.121 3.379 2.548 1.00 0.00 H new ATOM 0 HG LEU A 70 13.059 2.943 -0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.485 4.757 -0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.651 3.344 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.942 4.784 0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.796 5.296 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.332 5.341 1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.650 4.274 1.009 1.00 0.00 H new ATOM 1092 N LYS A 71 14.577 1.108 4.293 1.00 0.00 N ATOM 1093 CA LYS A 71 14.547 0.595 5.643 1.00 0.00 C ATOM 1094 C LYS A 71 14.185 1.697 6.641 1.00 0.00 C ATOM 1095 O LYS A 71 13.537 1.448 7.655 1.00 0.00 O ATOM 1096 CB LYS A 71 15.889 -0.057 5.987 1.00 0.00 C ATOM 1097 CG LYS A 71 17.089 0.835 5.720 1.00 0.00 C ATOM 1098 CD LYS A 71 18.381 0.161 6.111 1.00 0.00 C ATOM 1099 CE LYS A 71 19.573 1.059 5.827 1.00 0.00 C ATOM 1100 NZ LYS A 71 20.843 0.447 6.259 1.00 0.00 N ATOM 0 H LYS A 71 15.511 1.147 3.885 1.00 0.00 H new ATOM 0 HA LYS A 71 13.771 -0.168 5.711 1.00 0.00 H new ATOM 0 HB2 LYS A 71 15.886 -0.341 7.039 1.00 0.00 H new ATOM 0 HB3 LYS A 71 15.995 -0.975 5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 71 17.120 1.097 4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 71 16.981 1.766 6.276 1.00 0.00 H new ATOM 0 HD2 LYS A 71 18.357 -0.092 7.171 1.00 0.00 H new ATOM 0 HD3 LYS A 71 18.487 -0.775 5.562 1.00 0.00 H new ATOM 0 HE2 LYS A 71 19.619 1.273 4.759 1.00 0.00 H new ATOM 0 HE3 LYS A 71 19.438 2.012 6.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 21.630 1.093 6.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 20.811 0.266 7.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 20.986 -0.450 5.753 1.00 0.00 H new ATOM 1114 N SER A 72 14.568 2.914 6.308 1.00 0.00 N ATOM 1115 CA SER A 72 14.345 4.062 7.156 1.00 0.00 C ATOM 1116 C SER A 72 12.851 4.371 7.296 1.00 0.00 C ATOM 1117 O SER A 72 12.392 4.801 8.366 1.00 0.00 O ATOM 1118 CB SER A 72 15.101 5.240 6.580 1.00 0.00 C ATOM 1119 OG SER A 72 16.468 4.880 6.376 1.00 0.00 O ATOM 0 H SER A 72 15.046 3.133 5.434 1.00 0.00 H new ATOM 0 HA SER A 72 14.713 3.850 8.160 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.651 5.547 5.636 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.036 6.092 7.256 1.00 0.00 H new ATOM 0 HG SER A 72 16.955 5.644 6.001 1.00 0.00 H new ATOM 1125 N VAL A 73 12.093 4.119 6.230 1.00 0.00 N ATOM 1126 CA VAL A 73 10.653 4.322 6.251 1.00 0.00 C ATOM 1127 C VAL A 73 10.013 3.272 7.158 1.00 0.00 C ATOM 1128 O VAL A 73 9.132 3.578 7.960 1.00 0.00 O ATOM 1129 CB VAL A 73 10.044 4.243 4.819 1.00 0.00 C ATOM 1130 CG1 VAL A 73 8.535 4.455 4.850 1.00 0.00 C ATOM 1131 CG2 VAL A 73 10.696 5.273 3.907 1.00 0.00 C ATOM 0 H VAL A 73 12.457 3.774 5.342 1.00 0.00 H new ATOM 0 HA VAL A 73 10.448 5.320 6.638 1.00 0.00 H new ATOM 0 HB VAL A 73 10.241 3.245 4.427 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.138 4.394 3.837 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.072 3.685 5.468 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.314 5.437 5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.260 5.205 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.529 6.272 4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 73 11.767 5.080 3.848 1.00 0.00 H new ATOM 1141 N ALA A 74 10.504 2.043 7.058 1.00 0.00 N ATOM 1142 CA ALA A 74 10.022 0.952 7.891 1.00 0.00 C ATOM 1143 C ALA A 74 10.274 1.257 9.361 1.00 0.00 C ATOM 1144 O ALA A 74 9.421 1.026 10.194 1.00 0.00 O ATOM 1145 CB ALA A 74 10.691 -0.348 7.498 1.00 0.00 C ATOM 0 H ALA A 74 11.240 1.777 6.404 1.00 0.00 H new ATOM 0 HA ALA A 74 8.948 0.847 7.738 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.320 -1.154 8.131 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.466 -0.572 6.455 1.00 0.00 H new ATOM 0 HB3 ALA A 74 11.770 -0.255 7.625 1.00 0.00 H new ATOM 1151 N SER A 75 11.435 1.788 9.665 1.00 0.00 N ATOM 1152 CA SER A 75 11.758 2.164 11.021 1.00 0.00 C ATOM 1153 C SER A 75 10.887 3.339 11.510 1.00 0.00 C ATOM 1154 O SER A 75 10.501 3.382 12.678 1.00 0.00 O ATOM 1155 CB SER A 75 13.238 2.508 11.128 1.00 0.00 C ATOM 1156 OG SER A 75 14.037 1.399 10.745 1.00 0.00 O ATOM 0 H SER A 75 12.175 1.970 8.987 1.00 0.00 H new ATOM 0 HA SER A 75 11.544 1.313 11.667 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.465 3.364 10.492 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.476 2.799 12.151 1.00 0.00 H new ATOM 0 HG SER A 75 13.971 1.267 9.776 1.00 0.00 H new ATOM 1162 N ASP A 76 10.552 4.262 10.610 1.00 0.00 N ATOM 1163 CA ASP A 76 9.754 5.446 10.983 1.00 0.00 C ATOM 1164 C ASP A 76 8.319 5.068 11.311 1.00 0.00 C ATOM 1165 O ASP A 76 7.719 5.607 12.241 1.00 0.00 O ATOM 1166 CB ASP A 76 9.773 6.495 9.858 1.00 0.00 C ATOM 1167 CG ASP A 76 8.950 7.731 10.185 1.00 0.00 C ATOM 1168 OD1 ASP A 76 9.412 8.566 10.987 1.00 0.00 O ATOM 1169 OD2 ASP A 76 7.849 7.909 9.623 1.00 0.00 O ATOM 0 H ASP A 76 10.814 4.221 9.625 1.00 0.00 H new ATOM 0 HA ASP A 76 10.209 5.875 11.876 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.803 6.792 9.663 1.00 0.00 H new ATOM 0 HB3 ASP A 76 9.393 6.044 8.941 1.00 0.00 H new ATOM 1174 N TRP A 77 7.792 4.115 10.571 1.00 0.00 N ATOM 1175 CA TRP A 77 6.438 3.632 10.768 1.00 0.00 C ATOM 1176 C TRP A 77 6.407 2.445 11.737 1.00 0.00 C ATOM 1177 O TRP A 77 5.341 1.899 12.033 1.00 0.00 O ATOM 1178 CB TRP A 77 5.816 3.242 9.424 1.00 0.00 C ATOM 1179 CG TRP A 77 5.566 4.401 8.484 1.00 0.00 C ATOM 1180 CD1 TRP A 77 6.497 5.196 7.878 1.00 0.00 C ATOM 1181 CD2 TRP A 77 4.292 4.865 8.024 1.00 0.00 C ATOM 1182 NE1 TRP A 77 5.881 6.137 7.096 1.00 0.00 N ATOM 1183 CE2 TRP A 77 4.527 5.955 7.164 1.00 0.00 C ATOM 1184 CE3 TRP A 77 2.975 4.470 8.260 1.00 0.00 C ATOM 1185 CZ2 TRP A 77 3.494 6.652 6.543 1.00 0.00 C ATOM 1186 CZ3 TRP A 77 1.953 5.160 7.643 1.00 0.00 C ATOM 1187 CH2 TRP A 77 2.216 6.240 6.792 1.00 0.00 C ATOM 0 H TRP A 77 8.291 3.651 9.812 1.00 0.00 H new ATOM 0 HA TRP A 77 5.851 4.438 11.209 1.00 0.00 H new ATOM 0 HB2 TRP A 77 6.472 2.526 8.930 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.871 2.733 9.611 1.00 0.00 H new ATOM 0 HD1 TRP A 77 7.566 5.097 7.998 1.00 0.00 H new ATOM 0 HE1 TRP A 77 6.355 6.857 6.551 1.00 0.00 H new ATOM 0 HE3 TRP A 77 2.760 3.638 8.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 3.696 7.487 5.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 0.930 4.862 7.820 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.392 6.758 6.323 1.00 0.00 H new ATOM 1198 N ALA A 78 7.592 2.086 12.238 1.00 0.00 N ATOM 1199 CA ALA A 78 7.809 0.945 13.134 1.00 0.00 C ATOM 1200 C ALA A 78 7.279 -0.349 12.534 1.00 0.00 C ATOM 1201 O ALA A 78 6.259 -0.900 12.963 1.00 0.00 O ATOM 1202 CB ALA A 78 7.276 1.186 14.541 1.00 0.00 C ATOM 0 H ALA A 78 8.451 2.594 12.026 1.00 0.00 H new ATOM 0 HA ALA A 78 8.888 0.836 13.238 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.466 0.307 15.157 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.777 2.050 14.977 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.203 1.373 14.497 1.00 0.00 H new ATOM 1208 N ILE A 79 7.939 -0.783 11.506 1.00 0.00 N ATOM 1209 CA ILE A 79 7.572 -1.957 10.780 1.00 0.00 C ATOM 1210 C ILE A 79 8.663 -2.988 10.913 1.00 0.00 C ATOM 1211 O ILE A 79 9.735 -2.864 10.300 1.00 0.00 O ATOM 1212 CB ILE A 79 7.358 -1.622 9.287 1.00 0.00 C ATOM 1213 CG1 ILE A 79 6.303 -0.519 9.159 1.00 0.00 C ATOM 1214 CG2 ILE A 79 6.946 -2.870 8.502 1.00 0.00 C ATOM 1215 CD1 ILE A 79 6.063 -0.055 7.761 1.00 0.00 C ATOM 0 H ILE A 79 8.770 -0.318 11.140 1.00 0.00 H new ATOM 0 HA ILE A 79 6.641 -2.349 11.189 1.00 0.00 H new ATOM 0 HB ILE A 79 8.297 -1.265 8.863 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.363 -0.882 9.575 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.611 0.334 9.764 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.801 -2.609 7.454 1.00 0.00 H new ATOM 0 HG22 ILE A 79 7.728 -3.625 8.583 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.016 -3.265 8.909 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.302 0.726 7.762 1.00 0.00 H new ATOM 0 HD12 ILE A 79 6.989 0.342 7.345 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.722 -0.893 7.153 1.00 0.00 H new ATOM 1227 N GLN A 80 8.418 -3.967 11.726 1.00 0.00 N ATOM 1228 CA GLN A 80 9.371 -5.012 11.954 1.00 0.00 C ATOM 1229 C GLN A 80 8.872 -6.308 11.338 1.00 0.00 C ATOM 1230 O GLN A 80 9.653 -7.122 10.849 1.00 0.00 O ATOM 1231 CB GLN A 80 9.609 -5.178 13.456 1.00 0.00 C ATOM 1232 CG GLN A 80 10.664 -6.209 13.833 1.00 0.00 C ATOM 1233 CD GLN A 80 12.074 -5.870 13.348 1.00 0.00 C ATOM 1234 OE1 GLN A 80 12.275 -5.228 12.302 1.00 0.00 O ATOM 1235 NE2 GLN A 80 13.055 -6.292 14.098 1.00 0.00 N ATOM 0 H GLN A 80 7.550 -4.066 12.253 1.00 0.00 H new ATOM 0 HA GLN A 80 10.318 -4.750 11.483 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.902 -4.213 13.870 1.00 0.00 H new ATOM 0 HB3 GLN A 80 8.667 -5.455 13.929 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.681 -6.315 14.918 1.00 0.00 H new ATOM 0 HG3 GLN A 80 10.374 -7.176 13.423 1.00 0.00 H new ATOM 0 HE21 GLN A 80 12.856 -6.816 14.950 1.00 0.00 H new ATOM 0 HE22 GLN A 80 14.020 -6.098 13.832 1.00 0.00 H new ATOM 1244 N ALA A 81 7.574 -6.483 11.343 1.00 0.00 N ATOM 1245 CA ALA A 81 6.980 -7.665 10.796 1.00 0.00 C ATOM 1246 C ALA A 81 6.522 -7.404 9.368 1.00 0.00 C ATOM 1247 O ALA A 81 5.730 -6.490 9.100 1.00 0.00 O ATOM 1248 CB ALA A 81 5.843 -8.140 11.671 1.00 0.00 C ATOM 0 H ALA A 81 6.908 -5.812 11.725 1.00 0.00 H new ATOM 0 HA ALA A 81 7.724 -8.461 10.769 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.403 -9.039 11.240 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.221 -8.363 12.669 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.084 -7.360 11.736 1.00 0.00 H new ATOM 1254 N MET A 82 7.035 -8.184 8.467 1.00 0.00 N ATOM 1255 CA MET A 82 6.767 -8.026 7.055 1.00 0.00 C ATOM 1256 C MET A 82 5.772 -9.074 6.573 1.00 0.00 C ATOM 1257 O MET A 82 5.810 -10.219 7.036 1.00 0.00 O ATOM 1258 CB MET A 82 8.068 -8.203 6.292 1.00 0.00 C ATOM 1259 CG MET A 82 9.143 -7.182 6.628 1.00 0.00 C ATOM 1260 SD MET A 82 10.758 -7.643 5.966 1.00 0.00 S ATOM 1261 CE MET A 82 10.346 -7.970 4.258 1.00 0.00 C ATOM 0 H MET A 82 7.660 -8.960 8.685 1.00 0.00 H new ATOM 0 HA MET A 82 6.345 -7.035 6.884 1.00 0.00 H new ATOM 0 HB2 MET A 82 8.458 -9.201 6.492 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.857 -8.151 5.224 1.00 0.00 H new ATOM 0 HG2 MET A 82 8.854 -6.209 6.230 1.00 0.00 H new ATOM 0 HG3 MET A 82 9.214 -7.075 7.710 1.00 0.00 H new ATOM 0 HE1 MET A 82 11.262 -8.093 3.680 1.00 0.00 H new ATOM 0 HE2 MET A 82 9.752 -8.882 4.195 1.00 0.00 H new ATOM 0 HE3 MET A 82 9.773 -7.135 3.856 1.00 0.00 H new ATOM 1271 N PRO A 83 4.874 -8.723 5.643 1.00 0.00 N ATOM 1272 CA PRO A 83 4.734 -7.377 5.105 1.00 0.00 C ATOM 1273 C PRO A 83 3.627 -6.586 5.830 1.00 0.00 C ATOM 1274 O PRO A 83 2.724 -7.174 6.434 1.00 0.00 O ATOM 1275 CB PRO A 83 4.317 -7.655 3.662 1.00 0.00 C ATOM 1276 CG PRO A 83 3.507 -8.913 3.732 1.00 0.00 C ATOM 1277 CD PRO A 83 3.927 -9.646 4.995 1.00 0.00 C ATOM 0 HA PRO A 83 5.638 -6.778 5.211 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.732 -6.831 3.254 1.00 0.00 H new ATOM 0 HB3 PRO A 83 5.186 -7.780 3.016 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.442 -8.684 3.756 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.680 -9.532 2.852 1.00 0.00 H new ATOM 0 HD2 PRO A 83 3.072 -9.857 5.637 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.396 -10.603 4.764 1.00 0.00 H new ATOM 1285 N THR A 84 3.715 -5.293 5.812 1.00 0.00 N ATOM 1286 CA THR A 84 2.679 -4.495 6.394 1.00 0.00 C ATOM 1287 C THR A 84 1.906 -3.774 5.303 1.00 0.00 C ATOM 1288 O THR A 84 2.490 -3.072 4.486 1.00 0.00 O ATOM 1289 CB THR A 84 3.248 -3.473 7.386 1.00 0.00 C ATOM 1290 OG1 THR A 84 3.903 -4.140 8.489 1.00 0.00 O ATOM 1291 CG2 THR A 84 2.174 -2.524 7.917 1.00 0.00 C ATOM 0 H THR A 84 4.488 -4.768 5.403 1.00 0.00 H new ATOM 0 HA THR A 84 2.010 -5.161 6.940 1.00 0.00 H new ATOM 0 HB THR A 84 3.979 -2.876 6.840 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.539 -4.800 8.141 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.625 -1.819 8.616 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.729 -1.977 7.086 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.402 -3.098 8.429 1.00 0.00 H new ATOM 1299 N PHE A 85 0.608 -3.946 5.298 1.00 0.00 N ATOM 1300 CA PHE A 85 -0.241 -3.278 4.383 1.00 0.00 C ATOM 1301 C PHE A 85 -0.914 -2.202 5.186 1.00 0.00 C ATOM 1302 O PHE A 85 -1.577 -2.500 6.164 1.00 0.00 O ATOM 1303 CB PHE A 85 -1.318 -4.247 3.878 1.00 0.00 C ATOM 1304 CG PHE A 85 -0.806 -5.548 3.318 1.00 0.00 C ATOM 1305 CD1 PHE A 85 -0.597 -6.636 4.155 1.00 0.00 C ATOM 1306 CD2 PHE A 85 -0.545 -5.690 1.969 1.00 0.00 C ATOM 1307 CE1 PHE A 85 -0.139 -7.830 3.663 1.00 0.00 C ATOM 1308 CE2 PHE A 85 -0.086 -6.893 1.468 1.00 0.00 C ATOM 1309 CZ PHE A 85 0.118 -7.962 2.319 1.00 0.00 C ATOM 0 H PHE A 85 0.118 -4.565 5.944 1.00 0.00 H new ATOM 0 HA PHE A 85 0.312 -2.889 3.528 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.998 -4.468 4.701 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.902 -3.744 3.107 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.799 -6.540 5.212 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.701 -4.855 1.302 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.020 -8.665 4.329 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.113 -6.998 0.412 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.480 -8.902 1.928 1.00 0.00 H new ATOM 1319 N MET A 86 -0.743 -0.992 4.811 1.00 0.00 N ATOM 1320 CA MET A 86 -1.285 0.100 5.571 1.00 0.00 C ATOM 1321 C MET A 86 -2.370 0.784 4.802 1.00 0.00 C ATOM 1322 O MET A 86 -2.190 1.137 3.625 1.00 0.00 O ATOM 1323 CB MET A 86 -0.154 1.064 5.997 1.00 0.00 C ATOM 1324 CG MET A 86 -0.569 2.281 6.846 1.00 0.00 C ATOM 1325 SD MET A 86 -1.490 3.551 5.944 1.00 0.00 S ATOM 1326 CE MET A 86 -0.305 3.999 4.673 1.00 0.00 C ATOM 0 H MET A 86 -0.228 -0.716 3.975 1.00 0.00 H new ATOM 0 HA MET A 86 -1.741 -0.282 6.484 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.587 0.494 6.558 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.340 1.429 5.096 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.177 1.934 7.681 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.327 2.734 7.271 1.00 0.00 H new ATOM 0 HE1 MET A 86 -0.653 4.889 4.149 1.00 0.00 H new ATOM 0 HE2 MET A 86 0.662 4.203 5.133 1.00 0.00 H new ATOM 0 HE3 MET A 86 -0.204 3.177 3.964 1.00 0.00 H new ATOM 1336 N PHE A 87 -3.491 0.943 5.450 1.00 0.00 N ATOM 1337 CA PHE A 87 -4.621 1.558 4.900 1.00 0.00 C ATOM 1338 C PHE A 87 -4.952 2.822 5.680 1.00 0.00 C ATOM 1339 O PHE A 87 -5.291 2.774 6.884 1.00 0.00 O ATOM 1340 CB PHE A 87 -5.786 0.592 5.023 1.00 0.00 C ATOM 1341 CG PHE A 87 -5.685 -0.665 4.198 1.00 0.00 C ATOM 1342 CD1 PHE A 87 -4.985 -1.768 4.666 1.00 0.00 C ATOM 1343 CD2 PHE A 87 -6.297 -0.741 2.960 1.00 0.00 C ATOM 1344 CE1 PHE A 87 -4.897 -2.920 3.909 1.00 0.00 C ATOM 1345 CE2 PHE A 87 -6.216 -1.892 2.201 1.00 0.00 C ATOM 1346 CZ PHE A 87 -5.515 -2.983 2.675 1.00 0.00 C ATOM 0 H PHE A 87 -3.626 0.629 6.411 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.434 1.817 3.858 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.890 0.309 6.071 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.699 1.116 4.742 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.504 -1.725 5.632 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.845 0.110 2.582 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.346 -3.771 4.281 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.701 -1.939 1.237 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.450 -3.884 2.082 1.00 0.00 H new ATOM 1356 N LEU A 88 -4.860 3.934 5.029 1.00 0.00 N ATOM 1357 CA LEU A 88 -5.240 5.163 5.612 1.00 0.00 C ATOM 1358 C LEU A 88 -6.302 5.807 4.747 1.00 0.00 C ATOM 1359 O LEU A 88 -6.500 5.401 3.601 1.00 0.00 O ATOM 1360 CB LEU A 88 -4.004 6.094 5.820 1.00 0.00 C ATOM 1361 CG LEU A 88 -3.206 6.627 4.582 1.00 0.00 C ATOM 1362 CD1 LEU A 88 -4.004 7.628 3.765 1.00 0.00 C ATOM 1363 CD2 LEU A 88 -1.896 7.260 5.025 1.00 0.00 C ATOM 0 H LEU A 88 -4.516 4.008 4.072 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.658 4.986 6.603 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.344 6.962 6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.298 5.558 6.454 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.003 5.766 3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.406 7.966 2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.915 7.155 3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.265 8.482 4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.355 7.625 4.152 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.103 8.092 5.697 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.290 6.517 5.543 1.00 0.00 H new ATOM 1375 N LYS A 89 -6.974 6.788 5.268 1.00 0.00 N ATOM 1376 CA LYS A 89 -7.936 7.495 4.496 1.00 0.00 C ATOM 1377 C LYS A 89 -7.733 8.973 4.685 1.00 0.00 C ATOM 1378 O LYS A 89 -7.863 9.502 5.802 1.00 0.00 O ATOM 1379 CB LYS A 89 -9.338 7.064 4.878 1.00 0.00 C ATOM 1380 CG LYS A 89 -10.459 7.667 4.051 1.00 0.00 C ATOM 1381 CD LYS A 89 -11.785 7.060 4.465 1.00 0.00 C ATOM 1382 CE LYS A 89 -12.945 7.596 3.655 1.00 0.00 C ATOM 1383 NZ LYS A 89 -14.222 6.959 4.052 1.00 0.00 N ATOM 0 H LYS A 89 -6.870 7.114 6.229 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.806 7.264 3.439 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.398 5.978 4.802 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.505 7.320 5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.484 8.748 4.189 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.280 7.485 2.991 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.736 5.977 4.352 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.960 7.262 5.522 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.017 8.675 3.791 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.763 7.419 2.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.997 7.348 3.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.160 5.932 3.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.407 7.149 5.058 1.00 0.00 H new ATOM 1397 N GLU A 90 -7.384 9.629 3.585 1.00 0.00 N ATOM 1398 CA GLU A 90 -7.119 11.062 3.532 1.00 0.00 C ATOM 1399 C GLU A 90 -6.066 11.494 4.566 1.00 0.00 C ATOM 1400 O GLU A 90 -6.209 12.505 5.251 1.00 0.00 O ATOM 1401 CB GLU A 90 -8.399 11.852 3.667 1.00 0.00 C ATOM 1402 CG GLU A 90 -9.386 11.594 2.544 1.00 0.00 C ATOM 1403 CD GLU A 90 -10.640 12.403 2.679 1.00 0.00 C ATOM 1404 OE1 GLU A 90 -10.674 13.553 2.201 1.00 0.00 O ATOM 1405 OE2 GLU A 90 -11.624 11.907 3.253 1.00 0.00 O ATOM 0 H GLU A 90 -7.275 9.168 2.682 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.696 11.281 2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.870 11.607 4.619 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.160 12.915 3.694 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.912 11.823 1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.642 10.535 2.527 1.00 0.00 H new ATOM 1412 N GLY A 91 -5.017 10.713 4.662 1.00 0.00 N ATOM 1413 CA GLY A 91 -3.915 11.021 5.546 1.00 0.00 C ATOM 1414 C GLY A 91 -4.084 10.480 6.944 1.00 0.00 C ATOM 1415 O GLY A 91 -3.127 10.428 7.705 1.00 0.00 O ATOM 0 H GLY A 91 -4.902 9.849 4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.996 10.618 5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.795 12.103 5.598 1.00 0.00 H new ATOM 1419 N LYS A 92 -5.291 10.077 7.293 1.00 0.00 N ATOM 1420 CA LYS A 92 -5.542 9.552 8.622 1.00 0.00 C ATOM 1421 C LYS A 92 -5.462 8.049 8.547 1.00 0.00 C ATOM 1422 O LYS A 92 -6.103 7.444 7.701 1.00 0.00 O ATOM 1423 CB LYS A 92 -6.957 9.953 9.137 1.00 0.00 C ATOM 1424 CG LYS A 92 -7.231 11.430 9.599 1.00 0.00 C ATOM 1425 CD LYS A 92 -7.009 12.534 8.545 1.00 0.00 C ATOM 1426 CE LYS A 92 -5.554 12.966 8.449 1.00 0.00 C ATOM 1427 NZ LYS A 92 -5.339 14.011 7.417 1.00 0.00 N ATOM 0 H LYS A 92 -6.107 10.102 6.681 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.803 9.962 9.310 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -7.669 9.723 8.344 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -7.194 9.300 9.977 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -8.262 11.493 9.947 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.592 11.643 10.456 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.342 12.174 7.572 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.625 13.398 8.794 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.226 13.343 9.417 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.935 12.099 8.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.335 14.283 7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -5.610 13.639 6.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -5.920 14.844 7.640 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.700 7.451 9.430 1.00 0.00 N ATOM 1442 CA ILE A 93 -4.502 6.008 9.409 1.00 0.00 C ATOM 1443 C ILE A 93 -5.737 5.312 9.943 1.00 0.00 C ATOM 1444 O ILE A 93 -6.233 5.650 11.026 1.00 0.00 O ATOM 1445 CB ILE A 93 -3.269 5.584 10.258 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -1.989 6.299 9.787 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -3.073 4.064 10.228 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -1.558 6.001 8.386 1.00 0.00 C ATOM 0 H ILE A 93 -4.202 7.936 10.177 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.322 5.715 8.375 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.466 5.885 11.287 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -2.140 7.374 9.880 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.176 6.032 10.462 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.204 3.797 10.830 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.959 3.575 10.633 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.916 3.738 9.200 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.648 6.556 8.159 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.366 4.933 8.284 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.345 6.296 7.693 1.00 0.00 H new ATOM 1460 N LEU A 94 -6.243 4.370 9.197 1.00 0.00 N ATOM 1461 CA LEU A 94 -7.390 3.634 9.615 1.00 0.00 C ATOM 1462 C LEU A 94 -6.977 2.315 10.205 1.00 0.00 C ATOM 1463 O LEU A 94 -7.244 2.033 11.377 1.00 0.00 O ATOM 1464 CB LEU A 94 -8.348 3.406 8.449 1.00 0.00 C ATOM 1465 CG LEU A 94 -8.985 4.648 7.822 1.00 0.00 C ATOM 1466 CD1 LEU A 94 -9.944 4.243 6.729 1.00 0.00 C ATOM 1467 CD2 LEU A 94 -9.698 5.488 8.867 1.00 0.00 C ATOM 0 H LEU A 94 -5.870 4.096 8.288 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.907 4.219 10.376 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.809 2.870 7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.149 2.750 8.791 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.190 5.256 7.390 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.392 5.134 6.289 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.406 3.690 5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.728 3.612 7.148 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.140 6.363 8.391 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.483 4.895 9.337 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.983 5.810 9.625 1.00 0.00 H new ATOM 1479 N ASP A 95 -6.300 1.521 9.412 1.00 0.00 N ATOM 1480 CA ASP A 95 -5.923 0.185 9.802 1.00 0.00 C ATOM 1481 C ASP A 95 -4.787 -0.335 8.984 1.00 0.00 C ATOM 1482 O ASP A 95 -4.516 0.155 7.901 1.00 0.00 O ATOM 1483 CB ASP A 95 -7.102 -0.784 9.735 1.00 0.00 C ATOM 1484 CG ASP A 95 -7.878 -0.748 8.441 1.00 0.00 C ATOM 1485 OD1 ASP A 95 -7.508 -1.422 7.479 1.00 0.00 O ATOM 1486 OD2 ASP A 95 -8.912 -0.043 8.388 1.00 0.00 O ATOM 0 H ASP A 95 -5.994 1.784 8.475 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.595 0.252 10.839 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.731 -1.797 9.892 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.783 -0.563 10.557 1.00 0.00 H new ATOM 1491 N LYS A 96 -4.101 -1.297 9.519 1.00 0.00 N ATOM 1492 CA LYS A 96 -3.012 -1.918 8.828 1.00 0.00 C ATOM 1493 C LYS A 96 -3.081 -3.421 9.013 1.00 0.00 C ATOM 1494 O LYS A 96 -3.569 -3.909 10.034 1.00 0.00 O ATOM 1495 CB LYS A 96 -1.644 -1.399 9.320 1.00 0.00 C ATOM 1496 CG LYS A 96 -1.343 -1.694 10.783 1.00 0.00 C ATOM 1497 CD LYS A 96 0.078 -1.314 11.139 1.00 0.00 C ATOM 1498 CE LYS A 96 0.394 -1.653 12.584 1.00 0.00 C ATOM 1499 NZ LYS A 96 1.802 -1.380 12.916 1.00 0.00 N ATOM 0 H LYS A 96 -4.280 -1.675 10.449 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.103 -1.665 7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.860 -1.841 8.705 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.602 -0.321 9.164 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.039 -1.145 11.418 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.499 -2.754 10.982 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.772 -1.836 10.481 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.224 -0.247 10.973 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.253 -1.074 13.243 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.175 -2.705 12.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.978 -1.625 13.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.420 -1.951 12.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.005 -0.371 12.767 1.00 0.00 H new ATOM 1513 N VAL A 97 -2.603 -4.138 8.049 1.00 0.00 N ATOM 1514 CA VAL A 97 -2.546 -5.572 8.121 1.00 0.00 C ATOM 1515 C VAL A 97 -1.090 -5.958 8.119 1.00 0.00 C ATOM 1516 O VAL A 97 -0.359 -5.620 7.197 1.00 0.00 O ATOM 1517 CB VAL A 97 -3.243 -6.239 6.896 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -3.220 -7.761 7.008 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -4.667 -5.739 6.734 1.00 0.00 C ATOM 0 H VAL A 97 -2.237 -3.748 7.181 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.062 -5.909 9.020 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.680 -5.955 6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.713 -8.197 6.139 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.187 -8.107 7.051 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.743 -8.067 7.914 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.126 -6.222 5.872 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.240 -5.976 7.631 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.659 -4.660 6.583 1.00 0.00 H new ATOM 1529 N VAL A 98 -0.663 -6.612 9.148 1.00 0.00 N ATOM 1530 CA VAL A 98 0.698 -7.033 9.248 1.00 0.00 C ATOM 1531 C VAL A 98 0.763 -8.532 9.081 1.00 0.00 C ATOM 1532 O VAL A 98 0.166 -9.276 9.868 1.00 0.00 O ATOM 1533 CB VAL A 98 1.313 -6.617 10.587 1.00 0.00 C ATOM 1534 CG1 VAL A 98 2.767 -7.005 10.654 1.00 0.00 C ATOM 1535 CG2 VAL A 98 1.144 -5.126 10.832 1.00 0.00 C ATOM 0 H VAL A 98 -1.246 -6.870 9.944 1.00 0.00 H new ATOM 0 HA VAL A 98 1.275 -6.549 8.460 1.00 0.00 H new ATOM 0 HB VAL A 98 0.780 -7.149 11.375 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.181 -6.699 11.615 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.861 -8.086 10.546 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.313 -6.512 9.850 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.591 -4.862 11.790 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.637 -4.568 10.036 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.083 -4.878 10.846 1.00 0.00 H new ATOM 1545 N GLY A 99 1.450 -8.967 8.065 1.00 0.00 N ATOM 1546 CA GLY A 99 1.510 -10.367 7.745 1.00 0.00 C ATOM 1547 C GLY A 99 0.597 -10.642 6.586 1.00 0.00 C ATOM 1548 O GLY A 99 -0.526 -10.125 6.550 1.00 0.00 O ATOM 0 H GLY A 99 1.983 -8.366 7.436 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.532 -10.653 7.496 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.214 -10.964 8.608 1.00 0.00 H new ATOM 1552 N ALA A 100 1.037 -11.423 5.625 1.00 0.00 N ATOM 1553 CA ALA A 100 0.211 -11.642 4.479 1.00 0.00 C ATOM 1554 C ALA A 100 -0.791 -12.729 4.754 1.00 0.00 C ATOM 1555 O ALA A 100 -0.455 -13.906 4.856 1.00 0.00 O ATOM 1556 CB ALA A 100 1.061 -11.990 3.261 1.00 0.00 C ATOM 0 H ALA A 100 1.938 -11.901 5.619 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.330 -10.721 4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.413 -12.153 2.400 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.747 -11.170 3.049 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.631 -12.897 3.462 1.00 0.00 H new ATOM 1562 N LYS A 101 -2.009 -12.316 4.904 1.00 0.00 N ATOM 1563 CA LYS A 101 -3.127 -13.170 5.022 1.00 0.00 C ATOM 1564 C LYS A 101 -4.124 -12.754 3.995 1.00 0.00 C ATOM 1565 O LYS A 101 -4.632 -11.632 4.063 1.00 0.00 O ATOM 1566 CB LYS A 101 -3.757 -13.054 6.383 1.00 0.00 C ATOM 1567 CG LYS A 101 -2.941 -13.606 7.522 1.00 0.00 C ATOM 1568 CD LYS A 101 -3.669 -13.470 8.818 1.00 0.00 C ATOM 1569 CE LYS A 101 -4.986 -14.262 8.841 1.00 0.00 C ATOM 1570 NZ LYS A 101 -5.756 -14.037 10.084 1.00 0.00 N ATOM 0 H LYS A 101 -2.253 -11.327 4.948 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.809 -14.203 4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.962 -12.002 6.581 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.718 -13.568 6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.715 -14.656 7.336 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.988 -13.080 7.579 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.028 -13.815 9.629 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.879 -12.417 9.004 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.594 -13.976 7.983 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -4.770 -15.325 8.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -6.705 -14.451 9.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -5.264 -14.486 10.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -5.841 -13.015 10.260 1.00 0.00 H new ATOM 1584 N LYS A 102 -4.419 -13.605 3.054 1.00 0.00 N ATOM 1585 CA LYS A 102 -5.343 -13.255 2.024 1.00 0.00 C ATOM 1586 C LYS A 102 -6.746 -13.076 2.609 1.00 0.00 C ATOM 1587 O LYS A 102 -7.452 -12.130 2.266 1.00 0.00 O ATOM 1588 CB LYS A 102 -5.316 -14.301 0.921 1.00 0.00 C ATOM 1589 CG LYS A 102 -6.200 -13.972 -0.259 1.00 0.00 C ATOM 1590 CD LYS A 102 -6.049 -14.990 -1.384 1.00 0.00 C ATOM 1591 CE LYS A 102 -6.455 -16.390 -0.950 1.00 0.00 C ATOM 1592 NZ LYS A 102 -6.260 -17.384 -2.026 1.00 0.00 N ATOM 0 H LYS A 102 -4.031 -14.545 2.982 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.050 -12.303 1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.290 -14.420 0.572 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.624 -15.260 1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.240 -13.940 0.065 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.952 -12.979 -0.633 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.659 -14.683 -2.233 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.013 -15.003 -1.724 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.871 -16.682 -0.077 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.502 -16.386 -0.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -6.549 -18.324 -1.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -6.837 -17.121 -2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.257 -17.408 -2.299 1.00 0.00 H new ATOM 1606 N ASP A 103 -7.100 -13.952 3.542 1.00 0.00 N ATOM 1607 CA ASP A 103 -8.417 -13.941 4.208 1.00 0.00 C ATOM 1608 C ASP A 103 -8.601 -12.688 5.062 1.00 0.00 C ATOM 1609 O ASP A 103 -9.665 -12.064 5.056 1.00 0.00 O ATOM 1610 CB ASP A 103 -8.565 -15.186 5.086 1.00 0.00 C ATOM 1611 CG ASP A 103 -9.887 -15.249 5.824 1.00 0.00 C ATOM 1612 OD1 ASP A 103 -10.864 -15.800 5.270 1.00 0.00 O ATOM 1613 OD2 ASP A 103 -9.956 -14.780 6.974 1.00 0.00 O ATOM 0 H ASP A 103 -6.485 -14.698 3.867 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.184 -13.940 3.434 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.462 -16.075 4.463 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -7.751 -15.209 5.811 1.00 0.00 H new ATOM 1618 N GLU A 104 -7.544 -12.317 5.771 1.00 0.00 N ATOM 1619 CA GLU A 104 -7.554 -11.147 6.662 1.00 0.00 C ATOM 1620 C GLU A 104 -7.678 -9.905 5.812 1.00 0.00 C ATOM 1621 O GLU A 104 -8.403 -8.962 6.147 1.00 0.00 O ATOM 1622 CB GLU A 104 -6.237 -11.089 7.424 1.00 0.00 C ATOM 1623 CG GLU A 104 -6.177 -10.128 8.589 1.00 0.00 C ATOM 1624 CD GLU A 104 -7.046 -10.579 9.720 1.00 0.00 C ATOM 1625 OE1 GLU A 104 -6.665 -11.545 10.419 1.00 0.00 O ATOM 1626 OE2 GLU A 104 -8.119 -10.012 9.917 1.00 0.00 O ATOM 0 H GLU A 104 -6.653 -12.813 5.750 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.384 -11.215 7.365 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.012 -12.089 7.794 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.447 -10.824 6.721 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.147 -10.038 8.934 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.491 -9.137 8.261 1.00 0.00 H new ATOM 1633 N LEU A 105 -6.969 -9.923 4.699 1.00 0.00 N ATOM 1634 CA LEU A 105 -6.999 -8.848 3.759 1.00 0.00 C ATOM 1635 C LEU A 105 -8.402 -8.678 3.264 1.00 0.00 C ATOM 1636 O LEU A 105 -8.896 -7.577 3.176 1.00 0.00 O ATOM 1637 CB LEU A 105 -6.101 -9.157 2.594 1.00 0.00 C ATOM 1638 CG LEU A 105 -5.922 -8.035 1.576 1.00 0.00 C ATOM 1639 CD1 LEU A 105 -5.328 -6.788 2.231 1.00 0.00 C ATOM 1640 CD2 LEU A 105 -5.050 -8.492 0.429 1.00 0.00 C ATOM 0 H LEU A 105 -6.357 -10.694 4.432 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.654 -7.934 4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.119 -9.432 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.497 -10.031 2.077 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.906 -7.777 1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.211 -6.004 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.994 -6.439 3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.355 -7.030 2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.934 -7.678 -0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.071 -8.783 0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.515 -9.345 -0.064 1.00 0.00 H new ATOM 1652 N GLN A 106 -9.044 -9.798 2.969 1.00 0.00 N ATOM 1653 CA GLN A 106 -10.446 -9.793 2.516 1.00 0.00 C ATOM 1654 C GLN A 106 -11.338 -9.093 3.534 1.00 0.00 C ATOM 1655 O GLN A 106 -12.239 -8.335 3.163 1.00 0.00 O ATOM 1656 CB GLN A 106 -11.010 -11.210 2.271 1.00 0.00 C ATOM 1657 CG GLN A 106 -10.262 -12.072 1.268 1.00 0.00 C ATOM 1658 CD GLN A 106 -10.048 -11.395 -0.055 1.00 0.00 C ATOM 1659 OE1 GLN A 106 -10.881 -11.474 -0.961 1.00 0.00 O ATOM 1660 NE2 GLN A 106 -8.917 -10.763 -0.197 1.00 0.00 N ATOM 0 H GLN A 106 -8.626 -10.726 3.032 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.447 -9.257 1.567 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -11.033 -11.738 3.224 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -12.042 -11.113 1.935 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.295 -12.348 1.687 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -10.817 -12.997 1.109 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.255 -10.721 0.578 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.694 -10.310 -1.083 1.00 0.00 H new ATOM 1669 N SER A 107 -11.068 -9.320 4.812 1.00 0.00 N ATOM 1670 CA SER A 107 -11.866 -8.712 5.864 1.00 0.00 C ATOM 1671 C SER A 107 -11.624 -7.202 5.898 1.00 0.00 C ATOM 1672 O SER A 107 -12.549 -6.406 6.126 1.00 0.00 O ATOM 1673 CB SER A 107 -11.540 -9.359 7.208 1.00 0.00 C ATOM 1674 OG SER A 107 -11.719 -10.766 7.134 1.00 0.00 O ATOM 0 H SER A 107 -10.309 -9.916 5.142 1.00 0.00 H new ATOM 0 HA SER A 107 -12.923 -8.879 5.659 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.512 -9.131 7.489 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.183 -8.944 7.984 1.00 0.00 H new ATOM 0 HG SER A 107 -11.022 -11.155 6.566 1.00 0.00 H new ATOM 1680 N THR A 108 -10.397 -6.823 5.630 1.00 0.00 N ATOM 1681 CA THR A 108 -10.022 -5.442 5.569 1.00 0.00 C ATOM 1682 C THR A 108 -10.630 -4.786 4.310 1.00 0.00 C ATOM 1683 O THR A 108 -11.083 -3.638 4.348 1.00 0.00 O ATOM 1684 CB THR A 108 -8.488 -5.313 5.573 1.00 0.00 C ATOM 1685 OG1 THR A 108 -7.966 -5.937 6.763 1.00 0.00 O ATOM 1686 CG2 THR A 108 -8.057 -3.857 5.545 1.00 0.00 C ATOM 0 H THR A 108 -9.631 -7.472 5.448 1.00 0.00 H new ATOM 0 HA THR A 108 -10.410 -4.923 6.446 1.00 0.00 H new ATOM 0 HB THR A 108 -8.099 -5.803 4.681 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.052 -6.910 6.687 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.969 -3.800 5.549 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.443 -3.381 4.644 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.450 -3.344 6.423 1.00 0.00 H new ATOM 1694 N ILE A 109 -10.675 -5.532 3.214 1.00 0.00 N ATOM 1695 CA ILE A 109 -11.250 -5.034 1.981 1.00 0.00 C ATOM 1696 C ILE A 109 -12.732 -4.751 2.162 1.00 0.00 C ATOM 1697 O ILE A 109 -13.207 -3.717 1.749 1.00 0.00 O ATOM 1698 CB ILE A 109 -11.034 -6.001 0.787 1.00 0.00 C ATOM 1699 CG1 ILE A 109 -9.537 -6.202 0.539 1.00 0.00 C ATOM 1700 CG2 ILE A 109 -11.704 -5.443 -0.470 1.00 0.00 C ATOM 1701 CD1 ILE A 109 -9.221 -7.185 -0.559 1.00 0.00 C ATOM 0 H ILE A 109 -10.318 -6.486 3.158 1.00 0.00 H new ATOM 0 HA ILE A 109 -10.729 -4.107 1.743 1.00 0.00 H new ATOM 0 HB ILE A 109 -11.485 -6.964 1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -9.089 -5.240 0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -9.069 -6.543 1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.546 -6.130 -1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -12.773 -5.328 -0.292 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -11.271 -4.473 -0.713 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.140 -7.270 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.637 -8.160 -0.305 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.657 -6.837 -1.496 1.00 0.00 H new ATOM 1713 N ALA A 110 -13.442 -5.653 2.831 1.00 0.00 N ATOM 1714 CA ALA A 110 -14.876 -5.471 3.069 1.00 0.00 C ATOM 1715 C ALA A 110 -15.132 -4.292 3.994 1.00 0.00 C ATOM 1716 O ALA A 110 -16.170 -3.625 3.899 1.00 0.00 O ATOM 1717 CB ALA A 110 -15.518 -6.743 3.596 1.00 0.00 C ATOM 0 H ALA A 110 -13.054 -6.514 3.217 1.00 0.00 H new ATOM 0 HA ALA A 110 -15.345 -5.246 2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -16.582 -6.572 3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -15.388 -7.544 2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -15.046 -7.026 4.537 1.00 0.00 H new ATOM 1723 N LYS A 111 -14.197 -4.046 4.886 1.00 0.00 N ATOM 1724 CA LYS A 111 -14.267 -2.926 5.799 1.00 0.00 C ATOM 1725 C LYS A 111 -14.202 -1.621 5.011 1.00 0.00 C ATOM 1726 O LYS A 111 -14.961 -0.687 5.255 1.00 0.00 O ATOM 1727 CB LYS A 111 -13.085 -2.971 6.726 1.00 0.00 C ATOM 1728 CG LYS A 111 -13.136 -1.985 7.882 1.00 0.00 C ATOM 1729 CD LYS A 111 -11.835 -1.995 8.661 1.00 0.00 C ATOM 1730 CE LYS A 111 -11.867 -1.023 9.830 1.00 0.00 C ATOM 1731 NZ LYS A 111 -10.535 -0.888 10.454 1.00 0.00 N ATOM 0 H LYS A 111 -13.362 -4.621 4.999 1.00 0.00 H new ATOM 0 HA LYS A 111 -15.199 -2.980 6.362 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -12.999 -3.979 7.132 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -12.181 -2.782 6.147 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -13.329 -0.982 7.501 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -13.963 -2.239 8.545 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -11.641 -3.002 9.031 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -11.011 -1.736 7.996 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.210 -0.047 9.485 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.586 -1.369 10.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -10.630 -0.416 11.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -10.118 -1.831 10.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -9.918 -0.322 9.837 1.00 0.00 H new ATOM 1745 N HIS A 112 -13.291 -1.582 4.058 1.00 0.00 N ATOM 1746 CA HIS A 112 -13.060 -0.410 3.235 1.00 0.00 C ATOM 1747 C HIS A 112 -13.912 -0.397 1.957 1.00 0.00 C ATOM 1748 O HIS A 112 -13.815 0.550 1.168 1.00 0.00 O ATOM 1749 CB HIS A 112 -11.586 -0.331 2.828 1.00 0.00 C ATOM 1750 CG HIS A 112 -10.592 -0.086 3.931 1.00 0.00 C ATOM 1751 ND1 HIS A 112 -10.075 1.151 4.219 1.00 0.00 N ATOM 1752 CD2 HIS A 112 -9.979 -0.943 4.773 1.00 0.00 C ATOM 1753 CE1 HIS A 112 -9.185 1.040 5.184 1.00 0.00 C ATOM 1754 NE2 HIS A 112 -9.111 -0.223 5.535 1.00 0.00 N ATOM 0 H HIS A 112 -12.685 -2.370 3.831 1.00 0.00 H new ATOM 0 HA HIS A 112 -13.345 0.448 3.844 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -11.320 -1.264 2.331 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.479 0.465 2.091 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -10.147 -2.008 4.832 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.614 1.850 5.613 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -8.502 -0.603 6.260 1.00 0.00 H new ATOM 1763 N LEU A 113 -14.710 -1.446 1.730 1.00 0.00 N ATOM 1764 CA LEU A 113 -15.500 -1.557 0.543 1.00 0.00 C ATOM 1765 C LEU A 113 -16.489 -0.402 0.436 1.00 0.00 C ATOM 1766 O LEU A 113 -17.386 -0.239 1.280 1.00 0.00 O ATOM 1767 CB LEU A 113 -16.190 -2.906 0.570 1.00 0.00 C ATOM 1768 CG LEU A 113 -16.846 -3.439 -0.710 1.00 0.00 C ATOM 1769 CD1 LEU A 113 -18.061 -2.633 -1.158 1.00 0.00 C ATOM 1770 CD2 LEU A 113 -15.831 -3.569 -1.835 1.00 0.00 C ATOM 0 H LEU A 113 -14.812 -2.230 2.375 1.00 0.00 H new ATOM 0 HA LEU A 113 -14.870 -1.494 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -15.455 -3.643 0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -16.960 -2.865 1.340 1.00 0.00 H new ATOM 0 HG LEU A 113 -17.221 -4.432 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -18.471 -3.069 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -18.818 -2.650 -0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -17.763 -1.603 -1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -16.325 -3.949 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -15.397 -2.592 -2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -15.042 -4.259 -1.535 1.00 0.00 H new