USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 639 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 46 HIS :FLIP no HE2:sc= 0.121 F(o=-1.1,f=0.58) USER MOD Set 1.2: A 48 CYS SG : rot -2:sc= 0.46 USER MOD Single : A 6 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.821 K(o=-0.82,f=-2.5!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.47 USER MOD Single : A 23 LYS NZ :NH3+ 159:sc= -0.104 (180deg=-0.556) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= -0.554 USER MOD Single : A 47 ASN :FLIP amide:sc= -0.331 F(o=-5.8!,f=-0.33) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -161:sc= -0.208 (180deg=-0.793) USER MOD Single : A 56 SER OG : rot -15:sc= 0.716 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -167:sc= -0.0433 (180deg=-0.284) USER MOD Single : A 62 CYS SG : rot 29:sc= -0.0678 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 170:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= -0.0403 (180deg=-0.299) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 166:sc= -0.0482 (180deg=-0.298) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -104:sc= -1.61! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 62 N GLN A 6 -16.497 6.244 -1.600 1.00 0.00 N ATOM 63 CA GLN A 6 -15.276 6.954 -1.944 1.00 0.00 C ATOM 64 C GLN A 6 -14.089 5.994 -2.028 1.00 0.00 C ATOM 65 O GLN A 6 -13.936 5.113 -1.181 1.00 0.00 O ATOM 66 CB GLN A 6 -15.007 8.042 -0.903 1.00 0.00 C ATOM 67 CG GLN A 6 -13.756 8.849 -1.180 1.00 0.00 C ATOM 68 CD GLN A 6 -13.522 9.962 -0.170 1.00 0.00 C ATOM 69 OE1 GLN A 6 -14.445 10.119 0.776 1.00 0.00 O flip ATOM 70 NE2 GLN A 6 -12.522 10.676 -0.242 1.00 0.00 N flip ATOM 0 HA GLN A 6 -15.404 7.414 -2.924 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.863 8.716 -0.864 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.921 7.579 0.080 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -12.894 8.182 -1.181 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.825 9.282 -2.178 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -11.838 10.523 -0.983 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -12.377 11.421 0.439 1.00 0.00 H new ATOM 79 N PRO A 7 -13.230 6.152 -3.054 1.00 0.00 N ATOM 80 CA PRO A 7 -12.053 5.295 -3.240 1.00 0.00 C ATOM 81 C PRO A 7 -11.131 5.308 -2.024 1.00 0.00 C ATOM 82 O PRO A 7 -11.049 6.308 -1.311 1.00 0.00 O ATOM 83 CB PRO A 7 -11.341 5.900 -4.458 1.00 0.00 C ATOM 84 CG PRO A 7 -11.916 7.267 -4.609 1.00 0.00 C ATOM 85 CD PRO A 7 -13.328 7.173 -4.109 1.00 0.00 C ATOM 0 HA PRO A 7 -12.335 4.251 -3.378 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.263 5.941 -4.303 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.512 5.300 -5.352 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.345 7.997 -4.035 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.890 7.590 -5.650 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.683 8.126 -3.718 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -14.018 6.875 -4.898 1.00 0.00 H new ATOM 93 N PRO A 8 -10.424 4.190 -1.770 1.00 0.00 N ATOM 94 CA PRO A 8 -9.507 4.078 -0.630 1.00 0.00 C ATOM 95 C PRO A 8 -8.512 5.231 -0.577 1.00 0.00 C ATOM 96 O PRO A 8 -7.960 5.634 -1.602 1.00 0.00 O ATOM 97 CB PRO A 8 -8.780 2.755 -0.888 1.00 0.00 C ATOM 98 CG PRO A 8 -9.731 1.959 -1.711 1.00 0.00 C ATOM 99 CD PRO A 8 -10.462 2.952 -2.571 1.00 0.00 C ATOM 0 HA PRO A 8 -10.034 4.110 0.324 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.839 2.916 -1.414 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.541 2.245 0.045 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.202 1.228 -2.322 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.425 1.404 -1.079 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.974 3.083 -3.537 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.485 2.634 -2.771 1.00 0.00 H new ATOM 107 N LEU A 9 -8.288 5.761 0.621 1.00 0.00 N ATOM 108 CA LEU A 9 -7.362 6.871 0.798 1.00 0.00 C ATOM 109 C LEU A 9 -6.440 6.609 1.986 1.00 0.00 C ATOM 110 O LEU A 9 -6.893 6.489 3.123 1.00 0.00 O ATOM 111 CB LEU A 9 -8.144 8.173 1.013 1.00 0.00 C ATOM 112 CG LEU A 9 -7.395 9.472 0.685 1.00 0.00 C ATOM 113 CD1 LEU A 9 -8.316 10.666 0.875 1.00 0.00 C ATOM 114 CD2 LEU A 9 -6.150 9.626 1.546 1.00 0.00 C ATOM 0 H LEU A 9 -8.734 5.440 1.480 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.752 6.967 -0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.048 8.135 0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.462 8.214 2.055 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.078 9.425 -0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.776 11.583 0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.176 10.571 0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.658 10.701 1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.643 10.556 1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.435 9.647 2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.479 8.785 1.369 1.00 0.00 H new ATOM 126 N VAL A 10 -5.143 6.524 1.708 1.00 0.00 N ATOM 127 CA VAL A 10 -4.149 6.278 2.748 1.00 0.00 C ATOM 128 C VAL A 10 -3.780 7.569 3.475 1.00 0.00 C ATOM 129 O VAL A 10 -3.567 8.607 2.848 1.00 0.00 O ATOM 130 CB VAL A 10 -2.874 5.642 2.159 1.00 0.00 C ATOM 131 CG1 VAL A 10 -1.826 5.429 3.240 1.00 0.00 C ATOM 132 CG2 VAL A 10 -3.207 4.330 1.464 1.00 0.00 C ATOM 0 H VAL A 10 -4.755 6.622 0.770 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.596 5.585 3.461 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.460 6.327 1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.936 4.979 2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.565 6.388 3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.225 4.767 4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.296 3.894 1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.648 3.639 2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.916 4.515 0.657 1.00 0.00 H new ATOM 142 N THR A 11 -3.703 7.491 4.800 1.00 0.00 N ATOM 143 CA THR A 11 -3.356 8.648 5.620 1.00 0.00 C ATOM 144 C THR A 11 -2.570 8.220 6.856 1.00 0.00 C ATOM 145 O THR A 11 -2.794 8.729 7.955 1.00 0.00 O ATOM 146 CB THR A 11 -4.612 9.417 6.083 1.00 0.00 C ATOM 147 OG1 THR A 11 -5.449 8.560 6.868 1.00 0.00 O ATOM 148 CG2 THR A 11 -5.401 9.951 4.898 1.00 0.00 C ATOM 0 H THR A 11 -3.877 6.637 5.330 1.00 0.00 H new ATOM 0 HA THR A 11 -2.746 9.302 4.996 1.00 0.00 H new ATOM 0 HB THR A 11 -4.283 10.263 6.686 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.243 9.055 7.159 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.279 10.487 5.258 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.774 10.629 4.319 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.717 9.120 4.267 1.00 0.00 H new ATOM 156 N GLY A 12 -1.648 7.279 6.668 1.00 0.00 N ATOM 157 CA GLY A 12 -0.847 6.799 7.779 1.00 0.00 C ATOM 158 C GLY A 12 0.101 5.683 7.379 1.00 0.00 C ATOM 159 O GLY A 12 -0.203 4.893 6.485 1.00 0.00 O ATOM 0 H GLY A 12 -1.443 6.842 5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.272 7.628 8.192 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.507 6.443 8.570 1.00 0.00 H new ATOM 163 N ILE A 13 1.250 5.621 8.046 1.00 0.00 N ATOM 164 CA ILE A 13 2.248 4.595 7.759 1.00 0.00 C ATOM 165 C ILE A 13 3.212 4.433 8.929 1.00 0.00 C ATOM 166 O ILE A 13 3.723 5.418 9.466 1.00 0.00 O ATOM 167 CB ILE A 13 3.047 4.936 6.483 1.00 0.00 C ATOM 168 CG1 ILE A 13 4.057 3.829 6.170 1.00 0.00 C ATOM 169 CG2 ILE A 13 3.754 6.277 6.638 1.00 0.00 C ATOM 170 CD1 ILE A 13 4.742 3.998 4.830 1.00 0.00 C ATOM 0 H ILE A 13 1.513 6.269 8.789 1.00 0.00 H new ATOM 0 HA ILE A 13 1.714 3.658 7.602 1.00 0.00 H new ATOM 0 HB ILE A 13 2.349 5.010 5.649 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.813 3.805 6.955 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.547 2.866 6.189 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.312 6.501 5.729 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.016 7.060 6.813 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.441 6.231 7.483 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.444 3.179 4.674 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.995 3.992 4.036 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.281 4.945 4.814 1.00 0.00 H new ATOM 182 N SER A 14 3.459 3.187 9.325 1.00 0.00 N ATOM 183 CA SER A 14 4.364 2.917 10.434 1.00 0.00 C ATOM 184 C SER A 14 5.797 3.312 10.070 1.00 0.00 C ATOM 185 O SER A 14 6.387 4.169 10.729 1.00 0.00 O ATOM 186 CB SER A 14 4.293 1.443 10.852 1.00 0.00 C ATOM 187 OG SER A 14 5.193 1.168 11.912 1.00 0.00 O ATOM 0 H SER A 14 3.049 2.357 8.898 1.00 0.00 H new ATOM 0 HA SER A 14 4.050 3.522 11.284 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.277 1.198 11.161 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.528 0.808 9.998 1.00 0.00 H new ATOM 0 HG SER A 14 5.127 0.222 12.160 1.00 0.00 H new ATOM 193 N PRO A 15 6.390 2.712 9.011 1.00 0.00 N ATOM 194 CA PRO A 15 7.743 3.042 8.596 1.00 0.00 C ATOM 195 C PRO A 15 7.778 4.178 7.582 1.00 0.00 C ATOM 196 O PRO A 15 7.226 4.066 6.488 1.00 0.00 O ATOM 197 CB PRO A 15 8.222 1.744 7.959 1.00 0.00 C ATOM 198 CG PRO A 15 6.990 1.131 7.370 1.00 0.00 C ATOM 199 CD PRO A 15 5.804 1.677 8.136 1.00 0.00 C ATOM 0 HA PRO A 15 8.360 3.388 9.425 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.975 1.933 7.194 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.677 1.085 8.698 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.908 1.375 6.311 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.028 0.044 7.445 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.055 2.098 7.465 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.310 0.897 8.716 1.00 0.00 H new ATOM 207 N ASN A 16 8.437 5.268 7.950 1.00 0.00 N ATOM 208 CA ASN A 16 8.552 6.423 7.069 1.00 0.00 C ATOM 209 C ASN A 16 9.604 6.169 5.993 1.00 0.00 C ATOM 210 O ASN A 16 9.608 6.818 4.946 1.00 0.00 O ATOM 211 CB ASN A 16 8.896 7.674 7.882 1.00 0.00 C ATOM 212 CG ASN A 16 8.995 8.923 7.026 1.00 0.00 C ATOM 213 OD1 ASN A 16 9.861 9.034 6.160 1.00 0.00 O ATOM 214 ND2 ASN A 16 8.099 9.873 7.268 1.00 0.00 N ATOM 0 H ASN A 16 8.900 5.377 8.852 1.00 0.00 H new ATOM 0 HA ASN A 16 7.594 6.586 6.575 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.136 7.824 8.649 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.843 7.517 8.398 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.112 10.737 6.725 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.398 9.739 7.996 1.00 0.00 H new ATOM 221 N GLU A 17 10.496 5.218 6.258 1.00 0.00 N ATOM 222 CA GLU A 17 11.555 4.876 5.315 1.00 0.00 C ATOM 223 C GLU A 17 12.066 3.459 5.556 1.00 0.00 C ATOM 224 O GLU A 17 12.211 3.026 6.699 1.00 0.00 O ATOM 225 CB GLU A 17 12.705 5.877 5.428 1.00 0.00 C ATOM 226 CG GLU A 17 13.295 5.976 6.827 1.00 0.00 C ATOM 227 CD GLU A 17 14.398 7.011 6.925 1.00 0.00 C ATOM 228 OE1 GLU A 17 15.406 6.876 6.201 1.00 0.00 O ATOM 229 OE2 GLU A 17 14.253 7.959 7.726 1.00 0.00 O ATOM 0 H GLU A 17 10.506 4.671 7.119 1.00 0.00 H new ATOM 0 HA GLU A 17 11.141 4.921 4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.493 5.592 4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.350 6.861 5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.504 6.226 7.534 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.688 5.003 7.121 1.00 0.00 H new ATOM 236 N GLY A 18 12.328 2.742 4.468 1.00 0.00 N ATOM 237 CA GLY A 18 12.811 1.376 4.576 1.00 0.00 C ATOM 238 C GLY A 18 13.129 0.760 3.226 1.00 0.00 C ATOM 239 O GLY A 18 12.483 1.076 2.226 1.00 0.00 O ATOM 0 H GLY A 18 12.215 3.082 3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 18 13.706 1.359 5.198 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.060 0.768 5.081 1.00 0.00 H new ATOM 243 N ILE A 19 14.128 -0.119 3.199 1.00 0.00 N ATOM 244 CA ILE A 19 14.539 -0.784 1.965 1.00 0.00 C ATOM 245 C ILE A 19 13.361 -1.502 1.299 1.00 0.00 C ATOM 246 O ILE A 19 12.334 -1.737 1.932 1.00 0.00 O ATOM 247 CB ILE A 19 15.683 -1.789 2.219 1.00 0.00 C ATOM 248 CG1 ILE A 19 15.238 -2.879 3.197 1.00 0.00 C ATOM 249 CG2 ILE A 19 16.911 -1.060 2.745 1.00 0.00 C ATOM 250 CD1 ILE A 19 16.287 -3.945 3.439 1.00 0.00 C ATOM 0 H ILE A 19 14.669 -0.388 4.021 1.00 0.00 H new ATOM 0 HA ILE A 19 14.901 -0.006 1.293 1.00 0.00 H new ATOM 0 HB ILE A 19 15.942 -2.270 1.276 1.00 0.00 H new ATOM 0 HG12 ILE A 19 14.977 -2.416 4.149 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.334 -3.352 2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 19 17.712 -1.777 2.921 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.238 -0.323 2.012 1.00 0.00 H new ATOM 0 HG23 ILE A 19 16.663 -0.557 3.679 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.901 -4.683 4.142 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.532 -4.435 2.497 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.184 -3.485 3.853 1.00 0.00 H new ATOM 262 N PRO A 20 13.485 -1.835 -0.002 1.00 0.00 N ATOM 263 CA PRO A 20 12.421 -2.507 -0.764 1.00 0.00 C ATOM 264 C PRO A 20 11.806 -3.711 -0.049 1.00 0.00 C ATOM 265 O PRO A 20 10.586 -3.871 -0.025 1.00 0.00 O ATOM 266 CB PRO A 20 13.143 -2.962 -2.029 1.00 0.00 C ATOM 267 CG PRO A 20 14.217 -1.953 -2.227 1.00 0.00 C ATOM 268 CD PRO A 20 14.669 -1.561 -0.847 1.00 0.00 C ATOM 0 HA PRO A 20 11.576 -1.838 -0.930 1.00 0.00 H new ATOM 0 HB2 PRO A 20 13.556 -3.964 -1.912 1.00 0.00 H new ATOM 0 HB3 PRO A 20 12.466 -2.994 -2.883 1.00 0.00 H new ATOM 0 HG2 PRO A 20 15.042 -2.368 -2.806 1.00 0.00 H new ATOM 0 HG3 PRO A 20 13.845 -1.089 -2.777 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.533 -2.144 -0.528 1.00 0.00 H new ATOM 0 HD3 PRO A 20 14.959 -0.511 -0.803 1.00 0.00 H new ATOM 276 N TRP A 21 12.647 -4.571 0.506 1.00 0.00 N ATOM 277 CA TRP A 21 12.161 -5.768 1.187 1.00 0.00 C ATOM 278 C TRP A 21 11.516 -5.451 2.536 1.00 0.00 C ATOM 279 O TRP A 21 10.919 -6.328 3.160 1.00 0.00 O ATOM 280 CB TRP A 21 13.295 -6.778 1.368 1.00 0.00 C ATOM 281 CG TRP A 21 13.880 -7.239 0.069 1.00 0.00 C ATOM 282 CD1 TRP A 21 15.026 -6.790 -0.522 1.00 0.00 C ATOM 283 CD2 TRP A 21 13.331 -8.223 -0.815 1.00 0.00 C ATOM 284 NE1 TRP A 21 15.233 -7.449 -1.710 1.00 0.00 N ATOM 285 CE2 TRP A 21 14.203 -8.331 -1.914 1.00 0.00 C ATOM 286 CE3 TRP A 21 12.188 -9.029 -0.781 1.00 0.00 C ATOM 287 CZ2 TRP A 21 13.968 -9.210 -2.968 1.00 0.00 C ATOM 288 CZ3 TRP A 21 11.955 -9.900 -1.829 1.00 0.00 C ATOM 289 CH2 TRP A 21 12.842 -9.985 -2.908 1.00 0.00 C ATOM 0 H TRP A 21 13.662 -4.467 0.500 1.00 0.00 H new ATOM 0 HA TRP A 21 11.388 -6.203 0.553 1.00 0.00 H new ATOM 0 HB2 TRP A 21 14.081 -6.329 1.975 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.921 -7.641 1.919 1.00 0.00 H new ATOM 0 HD1 TRP A 21 15.675 -6.028 -0.115 1.00 0.00 H new ATOM 0 HE1 TRP A 21 16.024 -7.305 -2.338 1.00 0.00 H new ATOM 0 HE3 TRP A 21 11.500 -8.972 0.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 14.650 -9.278 -3.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 11.074 -10.525 -1.815 1.00 0.00 H new ATOM 0 HH2 TRP A 21 12.633 -10.677 -3.710 1.00 0.00 H new ATOM 300 N THR A 22 11.629 -4.204 2.984 1.00 0.00 N ATOM 301 CA THR A 22 11.041 -3.806 4.262 1.00 0.00 C ATOM 302 C THR A 22 9.519 -3.782 4.179 1.00 0.00 C ATOM 303 O THR A 22 8.945 -3.155 3.288 1.00 0.00 O ATOM 304 CB THR A 22 11.540 -2.419 4.716 1.00 0.00 C ATOM 305 OG1 THR A 22 12.953 -2.456 4.941 1.00 0.00 O ATOM 306 CG2 THR A 22 10.835 -1.976 5.989 1.00 0.00 C ATOM 0 H THR A 22 12.117 -3.458 2.488 1.00 0.00 H new ATOM 0 HA THR A 22 11.356 -4.549 4.995 1.00 0.00 H new ATOM 0 HB THR A 22 11.314 -1.703 3.926 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.262 -1.571 5.227 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.205 -0.995 6.287 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.761 -1.919 5.809 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.033 -2.696 6.784 1.00 0.00 H new ATOM 314 N LYS A 23 8.869 -4.462 5.118 1.00 0.00 N ATOM 315 CA LYS A 23 7.412 -4.512 5.153 1.00 0.00 C ATOM 316 C LYS A 23 6.844 -3.199 5.680 1.00 0.00 C ATOM 317 O LYS A 23 7.188 -2.758 6.777 1.00 0.00 O ATOM 318 CB LYS A 23 6.942 -5.676 6.028 1.00 0.00 C ATOM 319 CG LYS A 23 7.456 -7.028 5.559 1.00 0.00 C ATOM 320 CD LYS A 23 7.039 -8.149 6.498 1.00 0.00 C ATOM 321 CE LYS A 23 5.561 -8.471 6.366 1.00 0.00 C ATOM 322 NZ LYS A 23 5.213 -8.927 4.992 1.00 0.00 N ATOM 0 H LYS A 23 9.328 -4.985 5.864 1.00 0.00 H new ATOM 0 HA LYS A 23 7.049 -4.665 4.137 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.271 -5.506 7.053 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.852 -5.694 6.041 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.077 -7.233 4.558 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.543 -6.999 5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.627 -9.042 6.283 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.259 -7.863 7.527 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.293 -9.245 7.084 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.973 -7.588 6.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.322 -9.462 5.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.102 -8.101 4.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.972 -9.537 4.626 1.00 0.00 H new ATOM 336 N VAL A 24 5.973 -2.579 4.892 1.00 0.00 N ATOM 337 CA VAL A 24 5.358 -1.318 5.281 1.00 0.00 C ATOM 338 C VAL A 24 3.861 -1.491 5.518 1.00 0.00 C ATOM 339 O VAL A 24 3.122 -1.910 4.626 1.00 0.00 O ATOM 340 CB VAL A 24 5.596 -0.228 4.214 1.00 0.00 C ATOM 341 CG1 VAL A 24 7.075 0.108 4.125 1.00 0.00 C ATOM 342 CG2 VAL A 24 5.071 -0.673 2.856 1.00 0.00 C ATOM 0 H VAL A 24 5.678 -2.930 3.981 1.00 0.00 H new ATOM 0 HA VAL A 24 5.827 -1.001 6.212 1.00 0.00 H new ATOM 0 HB VAL A 24 5.050 0.667 4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.228 0.878 3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.424 0.473 5.091 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.635 -0.786 3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.250 0.112 2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.585 -1.583 2.547 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.001 -0.867 2.925 1.00 0.00 H new ATOM 352 N THR A 25 3.420 -1.171 6.730 1.00 0.00 N ATOM 353 CA THR A 25 2.013 -1.296 7.084 1.00 0.00 C ATOM 354 C THR A 25 1.203 -0.131 6.527 1.00 0.00 C ATOM 355 O THR A 25 1.441 1.025 6.876 1.00 0.00 O ATOM 356 CB THR A 25 1.822 -1.358 8.612 1.00 0.00 C ATOM 357 OG1 THR A 25 2.579 -2.446 9.155 1.00 0.00 O ATOM 358 CG2 THR A 25 0.354 -1.531 8.972 1.00 0.00 C ATOM 0 H THR A 25 4.016 -0.824 7.481 1.00 0.00 H new ATOM 0 HA THR A 25 1.656 -2.227 6.644 1.00 0.00 H new ATOM 0 HB THR A 25 2.175 -0.418 9.036 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.454 -2.478 10.127 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.248 -1.572 10.056 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.218 -0.689 8.583 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.021 -2.457 8.536 1.00 0.00 H new ATOM 366 N ILE A 26 0.242 -0.445 5.665 1.00 0.00 N ATOM 367 CA ILE A 26 -0.607 0.574 5.066 1.00 0.00 C ATOM 368 C ILE A 26 -1.719 0.983 6.026 1.00 0.00 C ATOM 369 O ILE A 26 -2.335 0.136 6.674 1.00 0.00 O ATOM 370 CB ILE A 26 -1.230 0.088 3.742 1.00 0.00 C ATOM 371 CG1 ILE A 26 -0.131 -0.338 2.764 1.00 0.00 C ATOM 372 CG2 ILE A 26 -2.097 1.182 3.132 1.00 0.00 C ATOM 373 CD1 ILE A 26 -0.657 -0.875 1.450 1.00 0.00 C ATOM 0 H ILE A 26 0.033 -1.398 5.366 1.00 0.00 H new ATOM 0 HA ILE A 26 0.027 1.435 4.856 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.862 -0.776 3.948 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.515 0.516 2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.487 -1.102 3.237 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.530 0.825 2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.896 1.442 3.826 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.486 2.063 2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.180 -1.156 0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.280 -1.750 1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.251 -0.107 0.954 1.00 0.00 H new ATOM 385 N ARG A 27 -1.971 2.283 6.110 1.00 0.00 N ATOM 386 CA ARG A 27 -3.011 2.803 6.988 1.00 0.00 C ATOM 387 C ARG A 27 -3.775 3.923 6.295 1.00 0.00 C ATOM 388 O ARG A 27 -3.179 4.884 5.812 1.00 0.00 O ATOM 389 CB ARG A 27 -2.394 3.323 8.289 1.00 0.00 C ATOM 390 CG ARG A 27 -3.420 3.781 9.315 1.00 0.00 C ATOM 391 CD ARG A 27 -4.243 2.615 9.839 1.00 0.00 C ATOM 392 NE ARG A 27 -5.264 3.044 10.791 1.00 0.00 N ATOM 393 CZ ARG A 27 -6.079 2.205 11.425 1.00 0.00 C ATOM 394 NH1 ARG A 27 -5.977 0.898 11.223 1.00 0.00 N ATOM 395 NH2 ARG A 27 -6.989 2.672 12.268 1.00 0.00 N ATOM 0 H ARG A 27 -1.470 2.996 5.581 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.703 1.994 7.222 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.780 2.537 8.729 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.729 4.155 8.058 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.912 4.271 10.145 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.081 4.521 8.864 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.720 2.104 9.003 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.582 1.893 10.318 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.357 4.042 10.980 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.273 0.535 10.581 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.603 0.256 11.710 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.065 3.676 12.431 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.613 2.027 12.753 1.00 0.00 H new ATOM 409 N GLY A 28 -5.095 3.791 6.244 1.00 0.00 N ATOM 410 CA GLY A 28 -5.913 4.800 5.598 1.00 0.00 C ATOM 411 C GLY A 28 -7.389 4.629 5.892 1.00 0.00 C ATOM 412 O GLY A 28 -7.780 4.444 7.045 1.00 0.00 O ATOM 0 H GLY A 28 -5.613 3.005 6.637 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.593 5.788 5.928 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.753 4.757 4.521 1.00 0.00 H new ATOM 416 N GLU A 29 -8.212 4.698 4.848 1.00 0.00 N ATOM 417 CA GLU A 29 -9.657 4.558 5.004 1.00 0.00 C ATOM 418 C GLU A 29 -10.284 3.881 3.787 1.00 0.00 C ATOM 419 O GLU A 29 -9.939 4.189 2.645 1.00 0.00 O ATOM 420 CB GLU A 29 -10.304 5.932 5.210 1.00 0.00 C ATOM 421 CG GLU A 29 -9.689 6.744 6.339 1.00 0.00 C ATOM 422 CD GLU A 29 -10.402 8.063 6.568 1.00 0.00 C ATOM 423 OE1 GLU A 29 -11.381 8.345 5.845 1.00 0.00 O ATOM 424 OE2 GLU A 29 -9.981 8.815 7.471 1.00 0.00 O ATOM 0 H GLU A 29 -7.904 4.850 3.888 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.836 3.933 5.879 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.227 6.501 4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.366 5.795 5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.714 6.158 7.258 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.640 6.937 6.113 1.00 0.00 H new ATOM 431 N ASN A 30 -11.218 2.967 4.045 1.00 0.00 N ATOM 432 CA ASN A 30 -11.922 2.246 2.985 1.00 0.00 C ATOM 433 C ASN A 30 -10.984 1.367 2.157 1.00 0.00 C ATOM 434 O ASN A 30 -11.112 1.296 0.935 1.00 0.00 O ATOM 435 CB ASN A 30 -12.650 3.232 2.067 1.00 0.00 C ATOM 436 CG ASN A 30 -13.653 4.089 2.813 1.00 0.00 C ATOM 437 OD1 ASN A 30 -14.604 3.578 3.404 1.00 0.00 O ATOM 438 ND2 ASN A 30 -13.444 5.400 2.791 1.00 0.00 N ATOM 0 H ASN A 30 -11.507 2.706 4.988 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.645 1.590 3.471 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.919 3.876 1.579 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.164 2.679 1.280 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.085 6.027 3.277 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.642 5.780 2.288 1.00 0.00 H new ATOM 445 N LEU A 31 -10.058 0.680 2.823 1.00 0.00 N ATOM 446 CA LEU A 31 -9.130 -0.207 2.127 1.00 0.00 C ATOM 447 C LEU A 31 -9.712 -1.613 2.035 1.00 0.00 C ATOM 448 O LEU A 31 -9.032 -2.601 2.318 1.00 0.00 O ATOM 449 CB LEU A 31 -7.767 -0.247 2.827 1.00 0.00 C ATOM 450 CG LEU A 31 -6.881 0.984 2.611 1.00 0.00 C ATOM 451 CD1 LEU A 31 -7.553 2.238 3.145 1.00 0.00 C ATOM 452 CD2 LEU A 31 -5.527 0.782 3.273 1.00 0.00 C ATOM 0 H LEU A 31 -9.931 0.720 3.834 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.982 0.186 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.931 -0.372 3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.226 -1.128 2.482 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.731 1.112 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.903 3.098 2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.499 2.393 2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.739 2.124 4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.908 1.664 3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.665 0.626 4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.037 -0.090 2.840 1.00 0.00 H new ATOM 464 N GLY A 32 -10.980 -1.692 1.646 1.00 0.00 N ATOM 465 CA GLY A 32 -11.648 -2.974 1.530 1.00 0.00 C ATOM 466 C GLY A 32 -11.884 -3.621 2.881 1.00 0.00 C ATOM 467 O GLY A 32 -10.940 -3.887 3.624 1.00 0.00 O ATOM 0 H GLY A 32 -11.559 -0.887 1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.603 -2.840 1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.048 -3.640 0.910 1.00 0.00 H new ATOM 471 N THR A 33 -13.150 -3.872 3.199 1.00 0.00 N ATOM 472 CA THR A 33 -13.513 -4.491 4.470 1.00 0.00 C ATOM 473 C THR A 33 -13.590 -6.009 4.342 1.00 0.00 C ATOM 474 O THR A 33 -14.508 -6.639 4.871 1.00 0.00 O ATOM 475 CB THR A 33 -14.864 -3.960 4.985 1.00 0.00 C ATOM 476 OG1 THR A 33 -15.898 -4.253 4.038 1.00 0.00 O ATOM 477 CG2 THR A 33 -14.803 -2.459 5.226 1.00 0.00 C ATOM 0 H THR A 33 -13.942 -3.656 2.594 1.00 0.00 H new ATOM 0 HA THR A 33 -12.732 -4.230 5.184 1.00 0.00 H new ATOM 0 HB THR A 33 -15.085 -4.454 5.931 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.754 -3.914 4.373 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.769 -2.109 5.589 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.036 -2.241 5.969 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.560 -1.950 4.293 1.00 0.00 H new ATOM 485 N GLY A 34 -12.628 -6.592 3.635 1.00 0.00 N ATOM 486 CA GLY A 34 -12.617 -8.033 3.451 1.00 0.00 C ATOM 487 C GLY A 34 -11.533 -8.493 2.494 1.00 0.00 C ATOM 488 O GLY A 34 -11.194 -7.777 1.551 1.00 0.00 O ATOM 0 H GLY A 34 -11.858 -6.095 3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.473 -8.517 4.417 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.588 -8.355 3.075 1.00 0.00 H new ATOM 492 N PRO A 35 -10.969 -9.696 2.706 1.00 0.00 N ATOM 493 CA PRO A 35 -9.920 -10.239 1.837 1.00 0.00 C ATOM 494 C PRO A 35 -10.360 -10.278 0.379 1.00 0.00 C ATOM 495 O PRO A 35 -9.614 -9.890 -0.521 1.00 0.00 O ATOM 496 CB PRO A 35 -9.710 -11.662 2.359 1.00 0.00 C ATOM 497 CG PRO A 35 -10.225 -11.650 3.758 1.00 0.00 C ATOM 498 CD PRO A 35 -11.319 -10.620 3.800 1.00 0.00 C ATOM 0 HA PRO A 35 -9.017 -9.629 1.861 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.247 -12.388 1.749 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.656 -11.940 2.330 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.605 -12.632 4.040 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.431 -11.402 4.462 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -12.300 -11.070 3.646 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.351 -10.108 4.762 1.00 0.00 H new ATOM 506 N THR A 36 -11.583 -10.747 0.160 1.00 0.00 N ATOM 507 CA THR A 36 -12.148 -10.841 -1.179 1.00 0.00 C ATOM 508 C THR A 36 -12.274 -9.464 -1.821 1.00 0.00 C ATOM 509 O THR A 36 -12.073 -9.309 -3.027 1.00 0.00 O ATOM 510 CB THR A 36 -13.530 -11.519 -1.154 1.00 0.00 C ATOM 511 OG1 THR A 36 -14.138 -11.450 -2.450 1.00 0.00 O ATOM 512 CG2 THR A 36 -14.434 -10.863 -0.120 1.00 0.00 C ATOM 0 H THR A 36 -12.206 -11.070 0.900 1.00 0.00 H new ATOM 0 HA THR A 36 -11.465 -11.449 -1.772 1.00 0.00 H new ATOM 0 HB THR A 36 -13.393 -12.565 -0.880 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.016 -11.885 -2.423 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.405 -11.358 -0.120 1.00 0.00 H new ATOM 0 HG22 THR A 36 -13.981 -10.951 0.868 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.564 -9.809 -0.367 1.00 0.00 H new ATOM 520 N ASP A 37 -12.609 -8.466 -1.007 1.00 0.00 N ATOM 521 CA ASP A 37 -12.763 -7.098 -1.492 1.00 0.00 C ATOM 522 C ASP A 37 -11.499 -6.625 -2.202 1.00 0.00 C ATOM 523 O ASP A 37 -11.565 -6.047 -3.286 1.00 0.00 O ATOM 524 CB ASP A 37 -13.088 -6.159 -0.330 1.00 0.00 C ATOM 525 CG ASP A 37 -14.376 -6.535 0.375 1.00 0.00 C ATOM 526 OD1 ASP A 37 -14.457 -7.663 0.905 1.00 0.00 O ATOM 527 OD2 ASP A 37 -15.306 -5.701 0.400 1.00 0.00 O ATOM 0 H ASP A 37 -12.779 -8.580 -0.008 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.586 -7.083 -2.207 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.267 -6.175 0.387 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -13.166 -5.138 -0.703 1.00 0.00 H new ATOM 532 N LEU A 38 -10.349 -6.876 -1.584 1.00 0.00 N ATOM 533 CA LEU A 38 -9.070 -6.477 -2.159 1.00 0.00 C ATOM 534 C LEU A 38 -8.810 -7.256 -3.447 1.00 0.00 C ATOM 535 O LEU A 38 -9.002 -8.471 -3.494 1.00 0.00 O ATOM 536 CB LEU A 38 -7.937 -6.725 -1.155 1.00 0.00 C ATOM 537 CG LEU A 38 -6.778 -5.722 -1.201 1.00 0.00 C ATOM 538 CD1 LEU A 38 -5.708 -6.102 -0.189 1.00 0.00 C ATOM 539 CD2 LEU A 38 -6.180 -5.634 -2.599 1.00 0.00 C ATOM 0 H LEU A 38 -10.277 -7.354 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.106 -5.412 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.359 -6.719 -0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.536 -7.724 -1.327 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.173 -4.740 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.892 -5.381 -0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.138 -6.102 0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.326 -7.096 -0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.361 -4.915 -2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.804 -6.613 -2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.947 -5.311 -3.303 1.00 0.00 H new ATOM 551 N ILE A 39 -8.378 -6.554 -4.489 1.00 0.00 N ATOM 552 CA ILE A 39 -8.101 -7.187 -5.774 1.00 0.00 C ATOM 553 C ILE A 39 -6.854 -6.596 -6.423 1.00 0.00 C ATOM 554 O ILE A 39 -6.025 -7.322 -6.970 1.00 0.00 O ATOM 555 CB ILE A 39 -9.292 -7.045 -6.743 1.00 0.00 C ATOM 556 CG1 ILE A 39 -9.671 -5.570 -6.913 1.00 0.00 C ATOM 557 CG2 ILE A 39 -10.480 -7.852 -6.238 1.00 0.00 C ATOM 558 CD1 ILE A 39 -10.787 -5.336 -7.911 1.00 0.00 C ATOM 0 H ILE A 39 -8.212 -5.548 -4.470 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.934 -8.245 -5.573 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.999 -7.436 -7.718 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.971 -5.168 -5.945 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.790 -5.012 -7.230 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.314 -7.744 -6.931 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.202 -8.903 -6.167 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.776 -7.488 -5.254 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.999 -4.269 -7.976 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.483 -5.706 -8.890 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.683 -5.864 -7.585 1.00 0.00 H new ATOM 570 N GLY A 40 -6.728 -5.275 -6.358 1.00 0.00 N ATOM 571 CA GLY A 40 -5.579 -4.609 -6.941 1.00 0.00 C ATOM 572 C GLY A 40 -4.663 -4.014 -5.892 1.00 0.00 C ATOM 573 O GLY A 40 -5.127 -3.405 -4.928 1.00 0.00 O ATOM 0 H GLY A 40 -7.402 -4.653 -5.911 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.019 -5.321 -7.547 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.921 -3.820 -7.611 1.00 0.00 H new ATOM 577 N LEU A 41 -3.357 -4.187 -6.077 1.00 0.00 N ATOM 578 CA LEU A 41 -2.378 -3.656 -5.136 1.00 0.00 C ATOM 579 C LEU A 41 -1.104 -3.266 -5.875 1.00 0.00 C ATOM 580 O LEU A 41 -0.537 -4.066 -6.619 1.00 0.00 O ATOM 581 CB LEU A 41 -2.070 -4.700 -4.052 1.00 0.00 C ATOM 582 CG LEU A 41 -1.416 -4.166 -2.768 1.00 0.00 C ATOM 583 CD1 LEU A 41 -0.024 -3.617 -3.041 1.00 0.00 C ATOM 584 CD2 LEU A 41 -2.293 -3.101 -2.125 1.00 0.00 C ATOM 0 H LEU A 41 -2.954 -4.689 -6.868 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.790 -2.768 -4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.001 -5.199 -3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.415 -5.458 -4.481 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.315 -5.001 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.410 -3.248 -2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.606 -4.409 -3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.089 -2.801 -3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.814 -2.735 -1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.431 -2.274 -2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.263 -3.531 -1.875 1.00 0.00 H new ATOM 596 N THR A 42 -0.662 -2.028 -5.666 1.00 0.00 N ATOM 597 CA THR A 42 0.542 -1.521 -6.316 1.00 0.00 C ATOM 598 C THR A 42 1.205 -0.429 -5.489 1.00 0.00 C ATOM 599 O THR A 42 0.533 0.409 -4.888 1.00 0.00 O ATOM 600 CB THR A 42 0.239 -0.951 -7.716 1.00 0.00 C ATOM 601 OG1 THR A 42 -0.871 -0.048 -7.649 1.00 0.00 O ATOM 602 CG2 THR A 42 -0.055 -2.059 -8.715 1.00 0.00 C ATOM 0 H THR A 42 -1.121 -1.357 -5.050 1.00 0.00 H new ATOM 0 HA THR A 42 1.216 -2.372 -6.409 1.00 0.00 H new ATOM 0 HB THR A 42 1.124 -0.414 -8.058 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.055 0.311 -8.542 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.264 -1.622 -9.692 1.00 0.00 H new ATOM 0 HG22 THR A 42 0.809 -2.719 -8.790 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.921 -2.631 -8.380 1.00 0.00 H new ATOM 610 N ILE A 43 2.533 -0.439 -5.481 1.00 0.00 N ATOM 611 CA ILE A 43 3.309 0.552 -4.751 1.00 0.00 C ATOM 612 C ILE A 43 4.486 1.016 -5.600 1.00 0.00 C ATOM 613 O ILE A 43 5.280 0.202 -6.072 1.00 0.00 O ATOM 614 CB ILE A 43 3.835 -0.005 -3.413 1.00 0.00 C ATOM 615 CG1 ILE A 43 2.664 -0.424 -2.519 1.00 0.00 C ATOM 616 CG2 ILE A 43 4.704 1.033 -2.713 1.00 0.00 C ATOM 617 CD1 ILE A 43 3.089 -1.023 -1.196 1.00 0.00 C ATOM 0 H ILE A 43 3.097 -1.129 -5.977 1.00 0.00 H new ATOM 0 HA ILE A 43 2.649 1.392 -4.534 1.00 0.00 H new ATOM 0 HB ILE A 43 4.447 -0.884 -3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.036 0.446 -2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.051 -1.149 -3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.068 0.626 -1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.551 1.287 -3.350 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.115 1.929 -2.518 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.205 -1.295 -0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.692 -1.913 -1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.676 -0.294 -0.638 1.00 0.00 H new ATOM 629 N CYS A 44 4.580 2.326 -5.806 1.00 0.00 N ATOM 630 CA CYS A 44 5.648 2.896 -6.616 1.00 0.00 C ATOM 631 C CYS A 44 5.614 2.305 -8.022 1.00 0.00 C ATOM 632 O CYS A 44 6.654 2.036 -8.625 1.00 0.00 O ATOM 633 CB CYS A 44 7.008 2.640 -5.966 1.00 0.00 C ATOM 634 SG CYS A 44 7.188 3.371 -4.321 1.00 0.00 S ATOM 0 H CYS A 44 3.929 3.012 -5.423 1.00 0.00 H new ATOM 0 HA CYS A 44 5.495 3.973 -6.684 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.168 1.564 -5.893 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.789 3.035 -6.615 1.00 0.00 H new ATOM 0 HG CYS A 44 8.370 3.099 -3.852 1.00 0.00 H new ATOM 640 N GLY A 45 4.402 2.108 -8.535 1.00 0.00 N ATOM 641 CA GLY A 45 4.226 1.553 -9.865 1.00 0.00 C ATOM 642 C GLY A 45 4.779 0.147 -9.995 1.00 0.00 C ATOM 643 O GLY A 45 5.263 -0.239 -11.059 1.00 0.00 O ATOM 0 H GLY A 45 3.533 2.325 -8.048 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.164 1.545 -10.112 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.718 2.200 -10.591 1.00 0.00 H new ATOM 647 N HIS A 46 4.700 -0.625 -8.916 1.00 0.00 N ATOM 648 CA HIS A 46 5.192 -1.999 -8.922 1.00 0.00 C ATOM 649 C HIS A 46 4.149 -2.950 -8.346 1.00 0.00 C ATOM 650 O HIS A 46 3.562 -2.681 -7.298 1.00 0.00 O ATOM 651 CB HIS A 46 6.495 -2.104 -8.125 1.00 0.00 C ATOM 652 CG HIS A 46 7.098 -3.474 -8.141 1.00 0.00 C ATOM 653 ND1 HIS A 46 7.350 -4.345 -7.135 1.00 0.00 N flip ATOM 654 CD2 HIS A 46 7.518 -4.097 -9.298 1.00 0.00 C flip ATOM 655 CE1 HIS A 46 7.911 -5.464 -7.698 1.00 0.00 C flip ATOM 656 NE2 HIS A 46 8.001 -5.291 -9.003 1.00 0.00 N flip ATOM 0 H HIS A 46 4.301 -0.324 -8.027 1.00 0.00 H new ATOM 0 HA HIS A 46 5.387 -2.284 -9.956 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.216 -1.394 -8.529 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.304 -1.812 -7.092 1.00 0.00 H new ATOM 0 HD1 HIS A 46 7.159 -4.197 -6.144 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.461 -3.675 -10.290 1.00 0.00 H new ATOM 0 HE1 HIS A 46 8.228 -6.345 -7.159 1.00 0.00 H new ATOM 665 N ASN A 47 3.923 -4.065 -9.036 1.00 0.00 N ATOM 666 CA ASN A 47 2.952 -5.057 -8.588 1.00 0.00 C ATOM 667 C ASN A 47 3.416 -5.709 -7.288 1.00 0.00 C ATOM 668 O ASN A 47 4.562 -6.144 -7.178 1.00 0.00 O ATOM 669 CB ASN A 47 2.751 -6.125 -9.668 1.00 0.00 C ATOM 670 CG ASN A 47 1.636 -7.108 -9.343 1.00 0.00 C ATOM 671 OD1 ASN A 47 0.896 -6.849 -8.269 1.00 0.00 O flip ATOM 672 ND2 ASN A 47 1.433 -8.085 -10.063 1.00 0.00 N flip ATOM 0 H ASN A 47 4.399 -4.303 -9.906 1.00 0.00 H new ATOM 0 HA ASN A 47 2.002 -4.554 -8.406 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.529 -5.635 -10.616 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.682 -6.675 -9.803 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.023 -8.249 -10.879 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.674 -8.731 -9.844 1.00 0.00 H new ATOM 679 N CYS A 48 2.519 -5.776 -6.307 1.00 0.00 N ATOM 680 CA CYS A 48 2.841 -6.377 -5.016 1.00 0.00 C ATOM 681 C CYS A 48 1.592 -6.959 -4.361 1.00 0.00 C ATOM 682 O CYS A 48 1.438 -6.903 -3.140 1.00 0.00 O ATOM 683 CB CYS A 48 3.471 -5.336 -4.086 1.00 0.00 C ATOM 684 SG CYS A 48 5.027 -4.640 -4.688 1.00 0.00 S ATOM 0 H CYS A 48 1.565 -5.422 -6.382 1.00 0.00 H new ATOM 0 HA CYS A 48 3.554 -7.183 -5.189 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.759 -4.525 -3.934 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.645 -5.794 -3.112 1.00 0.00 H new ATOM 0 HG CYS A 48 5.345 -5.201 -5.817 1.00 0.00 H new ATOM 690 N LEU A 49 0.708 -7.523 -5.176 1.00 0.00 N ATOM 691 CA LEU A 49 -0.523 -8.121 -4.673 1.00 0.00 C ATOM 692 C LEU A 49 -0.240 -9.471 -4.019 1.00 0.00 C ATOM 693 O LEU A 49 -0.755 -9.769 -2.941 1.00 0.00 O ATOM 694 CB LEU A 49 -1.537 -8.284 -5.809 1.00 0.00 C ATOM 695 CG LEU A 49 -2.855 -8.959 -5.421 1.00 0.00 C ATOM 696 CD1 LEU A 49 -3.635 -8.095 -4.441 1.00 0.00 C ATOM 697 CD2 LEU A 49 -3.687 -9.246 -6.661 1.00 0.00 C ATOM 0 H LEU A 49 0.821 -7.579 -6.188 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.944 -7.456 -3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.760 -7.299 -6.218 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.073 -8.863 -6.607 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.626 -9.905 -4.931 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.568 -8.594 -4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.041 -7.940 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.855 -7.132 -4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.621 -9.726 -6.369 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.905 -8.311 -7.177 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.132 -9.907 -7.327 1.00 0.00 H new ATOM 709 N LEU A 50 0.578 -10.283 -4.684 1.00 0.00 N ATOM 710 CA LEU A 50 0.930 -11.605 -4.173 1.00 0.00 C ATOM 711 C LEU A 50 1.515 -11.514 -2.767 1.00 0.00 C ATOM 712 O LEU A 50 1.233 -12.355 -1.914 1.00 0.00 O ATOM 713 CB LEU A 50 1.923 -12.311 -5.106 1.00 0.00 C ATOM 714 CG LEU A 50 3.331 -11.702 -5.176 1.00 0.00 C ATOM 715 CD1 LEU A 50 4.281 -12.653 -5.887 1.00 0.00 C ATOM 716 CD2 LEU A 50 3.311 -10.358 -5.889 1.00 0.00 C ATOM 0 H LEU A 50 1.010 -10.049 -5.578 1.00 0.00 H new ATOM 0 HA LEU A 50 0.012 -12.192 -4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.013 -13.350 -4.789 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.502 -12.320 -6.112 1.00 0.00 H new ATOM 0 HG LEU A 50 3.681 -11.543 -4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.276 -12.209 -5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.328 -13.596 -5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.922 -12.837 -6.900 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.321 -9.950 -5.924 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.938 -10.490 -6.904 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.660 -9.670 -5.350 1.00 0.00 H new ATOM 728 N THR A 51 2.332 -10.492 -2.533 1.00 0.00 N ATOM 729 CA THR A 51 2.957 -10.293 -1.231 1.00 0.00 C ATOM 730 C THR A 51 1.988 -9.642 -0.249 1.00 0.00 C ATOM 731 O THR A 51 1.974 -9.977 0.936 1.00 0.00 O ATOM 732 CB THR A 51 4.222 -9.421 -1.339 1.00 0.00 C ATOM 733 OG1 THR A 51 3.889 -8.139 -1.883 1.00 0.00 O ATOM 734 CG2 THR A 51 5.271 -10.090 -2.216 1.00 0.00 C ATOM 0 H THR A 51 2.577 -9.788 -3.229 1.00 0.00 H new ATOM 0 HA THR A 51 3.237 -11.280 -0.863 1.00 0.00 H new ATOM 0 HB THR A 51 4.634 -9.296 -0.338 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.699 -7.590 -1.947 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.154 -9.454 -2.276 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.546 -11.053 -1.785 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.865 -10.243 -3.216 1.00 0.00 H new ATOM 742 N ALA A 52 1.184 -8.708 -0.749 1.00 0.00 N ATOM 743 CA ALA A 52 0.214 -8.005 0.085 1.00 0.00 C ATOM 744 C ALA A 52 -0.801 -8.968 0.689 1.00 0.00 C ATOM 745 O ALA A 52 -1.359 -9.816 -0.007 1.00 0.00 O ATOM 746 CB ALA A 52 -0.497 -6.931 -0.724 1.00 0.00 C ATOM 0 H ALA A 52 1.185 -8.420 -1.728 1.00 0.00 H new ATOM 0 HA ALA A 52 0.757 -7.533 0.904 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.217 -6.415 -0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.234 -6.215 -1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.018 -7.392 -1.563 1.00 0.00 H new ATOM 752 N GLU A 53 -1.036 -8.827 1.990 1.00 0.00 N ATOM 753 CA GLU A 53 -1.988 -9.679 2.694 1.00 0.00 C ATOM 754 C GLU A 53 -3.015 -8.837 3.446 1.00 0.00 C ATOM 755 O GLU A 53 -2.661 -7.877 4.131 1.00 0.00 O ATOM 756 CB GLU A 53 -1.253 -10.601 3.670 1.00 0.00 C ATOM 757 CG GLU A 53 -2.178 -11.491 4.483 1.00 0.00 C ATOM 758 CD GLU A 53 -1.429 -12.382 5.453 1.00 0.00 C ATOM 759 OE1 GLU A 53 -0.718 -11.843 6.326 1.00 0.00 O ATOM 760 OE2 GLU A 53 -1.552 -13.620 5.338 1.00 0.00 O ATOM 0 H GLU A 53 -0.580 -8.130 2.578 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.512 -10.287 1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.559 -11.228 3.111 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.657 -9.994 4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.881 -10.868 5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.766 -12.111 3.806 1.00 0.00 H new ATOM 767 N TRP A 54 -4.286 -9.206 3.317 1.00 0.00 N ATOM 768 CA TRP A 54 -5.361 -8.485 3.990 1.00 0.00 C ATOM 769 C TRP A 54 -5.223 -8.623 5.503 1.00 0.00 C ATOM 770 O TRP A 54 -4.759 -9.650 5.998 1.00 0.00 O ATOM 771 CB TRP A 54 -6.725 -9.010 3.545 1.00 0.00 C ATOM 772 CG TRP A 54 -7.859 -8.119 3.952 1.00 0.00 C ATOM 773 CD1 TRP A 54 -8.342 -7.042 3.264 1.00 0.00 C ATOM 774 CD2 TRP A 54 -8.632 -8.206 5.153 1.00 0.00 C ATOM 775 NE1 TRP A 54 -9.379 -6.467 3.957 1.00 0.00 N ATOM 776 CE2 TRP A 54 -9.575 -7.161 5.121 1.00 0.00 C ATOM 777 CE3 TRP A 54 -8.623 -9.072 6.251 1.00 0.00 C ATOM 778 CZ2 TRP A 54 -10.496 -6.957 6.145 1.00 0.00 C ATOM 779 CZ3 TRP A 54 -9.537 -8.868 7.267 1.00 0.00 C ATOM 780 CH2 TRP A 54 -10.463 -7.819 7.208 1.00 0.00 C ATOM 0 H TRP A 54 -4.596 -9.998 2.754 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.287 -7.432 3.719 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -6.729 -9.121 2.461 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.881 -10.003 3.967 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -7.964 -6.694 2.314 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.916 -5.655 3.654 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -7.915 -9.885 6.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.210 -6.148 6.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -9.537 -9.529 8.121 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.165 -7.687 8.018 1.00 0.00 H new ATOM 791 N MET A 55 -5.622 -7.586 6.233 1.00 0.00 N ATOM 792 CA MET A 55 -5.531 -7.602 7.691 1.00 0.00 C ATOM 793 C MET A 55 -6.695 -6.850 8.330 1.00 0.00 C ATOM 794 O MET A 55 -7.269 -7.308 9.318 1.00 0.00 O ATOM 795 CB MET A 55 -4.208 -6.988 8.150 1.00 0.00 C ATOM 796 CG MET A 55 -2.982 -7.775 7.717 1.00 0.00 C ATOM 797 SD MET A 55 -2.917 -9.420 8.455 1.00 0.00 S ATOM 798 CE MET A 55 -2.821 -9.005 10.195 1.00 0.00 C ATOM 0 H MET A 55 -6.010 -6.727 5.842 1.00 0.00 H new ATOM 0 HA MET A 55 -5.577 -8.643 8.012 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.134 -5.974 7.758 1.00 0.00 H new ATOM 0 HB3 MET A 55 -4.213 -6.910 9.237 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.979 -7.868 6.631 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.084 -7.222 7.992 1.00 0.00 H new ATOM 0 HE1 MET A 55 -2.442 -9.861 10.753 1.00 0.00 H new ATOM 0 HE2 MET A 55 -2.149 -8.157 10.330 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.814 -8.744 10.562 1.00 0.00 H new ATOM 808 N SER A 56 -7.035 -5.696 7.765 1.00 0.00 N ATOM 809 CA SER A 56 -8.127 -4.880 8.292 1.00 0.00 C ATOM 810 C SER A 56 -8.614 -3.877 7.252 1.00 0.00 C ATOM 811 O SER A 56 -7.886 -3.525 6.323 1.00 0.00 O ATOM 812 CB SER A 56 -7.679 -4.137 9.553 1.00 0.00 C ATOM 813 OG SER A 56 -7.282 -5.040 10.571 1.00 0.00 O ATOM 0 H SER A 56 -6.573 -5.304 6.945 1.00 0.00 H new ATOM 0 HA SER A 56 -8.951 -5.549 8.542 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.850 -3.472 9.310 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.494 -3.511 9.917 1.00 0.00 H new ATOM 0 HG SER A 56 -7.599 -5.941 10.351 1.00 0.00 H new ATOM 819 N ALA A 57 -9.854 -3.421 7.421 1.00 0.00 N ATOM 820 CA ALA A 57 -10.458 -2.453 6.508 1.00 0.00 C ATOM 821 C ALA A 57 -9.544 -1.255 6.283 1.00 0.00 C ATOM 822 O ALA A 57 -9.598 -0.613 5.236 1.00 0.00 O ATOM 823 CB ALA A 57 -11.804 -1.996 7.047 1.00 0.00 C ATOM 0 H ALA A 57 -10.463 -3.709 8.187 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.606 -2.944 5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.246 -1.275 6.359 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.467 -2.855 7.146 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.666 -1.529 8.022 1.00 0.00 H new ATOM 829 N SER A 58 -8.706 -0.958 7.270 1.00 0.00 N ATOM 830 CA SER A 58 -7.783 0.165 7.171 1.00 0.00 C ATOM 831 C SER A 58 -6.383 -0.248 7.607 1.00 0.00 C ATOM 832 O SER A 58 -5.695 0.494 8.306 1.00 0.00 O ATOM 833 CB SER A 58 -8.276 1.334 8.025 1.00 0.00 C ATOM 834 OG SER A 58 -9.554 1.775 7.597 1.00 0.00 O ATOM 0 H SER A 58 -8.647 -1.478 8.145 1.00 0.00 H new ATOM 0 HA SER A 58 -7.741 0.482 6.129 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.324 1.030 9.071 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.565 2.158 7.965 1.00 0.00 H new ATOM 0 HG SER A 58 -9.848 2.522 8.160 1.00 0.00 H new ATOM 840 N LYS A 59 -5.965 -1.436 7.181 1.00 0.00 N ATOM 841 CA LYS A 59 -4.643 -1.951 7.522 1.00 0.00 C ATOM 842 C LYS A 59 -4.267 -3.124 6.620 1.00 0.00 C ATOM 843 O LYS A 59 -5.028 -4.083 6.484 1.00 0.00 O ATOM 844 CB LYS A 59 -4.609 -2.389 8.990 1.00 0.00 C ATOM 845 CG LYS A 59 -3.245 -2.882 9.446 1.00 0.00 C ATOM 846 CD LYS A 59 -3.278 -3.354 10.892 1.00 0.00 C ATOM 847 CE LYS A 59 -1.907 -3.819 11.355 1.00 0.00 C ATOM 848 NZ LYS A 59 -1.370 -4.910 10.496 1.00 0.00 N ATOM 0 H LYS A 59 -6.523 -2.061 6.599 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.917 -1.152 7.370 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.912 -1.551 9.618 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.342 -3.182 9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.918 -3.699 8.803 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.513 -2.081 9.340 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.625 -2.543 11.533 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.994 -4.169 10.994 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.216 -2.976 11.345 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.971 -4.167 12.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.550 -5.347 10.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.107 -5.628 10.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.078 -4.517 9.578 1.00 0.00 H new ATOM 862 N ILE A 60 -3.086 -3.042 6.011 1.00 0.00 N ATOM 863 CA ILE A 60 -2.601 -4.096 5.122 1.00 0.00 C ATOM 864 C ILE A 60 -1.077 -4.172 5.147 1.00 0.00 C ATOM 865 O ILE A 60 -0.395 -3.221 4.767 1.00 0.00 O ATOM 866 CB ILE A 60 -3.051 -3.864 3.661 1.00 0.00 C ATOM 867 CG1 ILE A 60 -4.579 -3.856 3.556 1.00 0.00 C ATOM 868 CG2 ILE A 60 -2.458 -4.931 2.750 1.00 0.00 C ATOM 869 CD1 ILE A 60 -5.094 -3.582 2.157 1.00 0.00 C ATOM 0 H ILE A 60 -2.446 -2.255 6.117 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.028 -5.030 5.486 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.685 -2.889 3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.962 -4.820 3.892 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.977 -3.101 4.234 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.783 -4.755 1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.370 -4.887 2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.796 -5.915 3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.184 -3.592 2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.742 -2.606 1.824 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.727 -4.351 1.477 1.00 0.00 H new ATOM 881 N VAL A 61 -0.550 -5.313 5.580 1.00 0.00 N ATOM 882 CA VAL A 61 0.894 -5.506 5.632 1.00 0.00 C ATOM 883 C VAL A 61 1.422 -5.962 4.277 1.00 0.00 C ATOM 884 O VAL A 61 0.893 -6.900 3.679 1.00 0.00 O ATOM 885 CB VAL A 61 1.296 -6.540 6.703 1.00 0.00 C ATOM 886 CG1 VAL A 61 2.809 -6.676 6.775 1.00 0.00 C ATOM 887 CG2 VAL A 61 0.727 -6.156 8.061 1.00 0.00 C ATOM 0 H VAL A 61 -1.097 -6.113 5.898 1.00 0.00 H new ATOM 0 HA VAL A 61 1.334 -4.545 5.896 1.00 0.00 H new ATOM 0 HB VAL A 61 0.879 -7.506 6.419 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.073 -7.410 7.536 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.191 -7.003 5.808 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.249 -5.713 7.032 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.022 -6.899 8.802 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.111 -5.179 8.353 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.361 -6.115 8.001 1.00 0.00 H new ATOM 897 N CYS A 62 2.468 -5.296 3.798 1.00 0.00 N ATOM 898 CA CYS A 62 3.064 -5.639 2.512 1.00 0.00 C ATOM 899 C CYS A 62 4.380 -4.898 2.311 1.00 0.00 C ATOM 900 O CYS A 62 4.460 -3.687 2.513 1.00 0.00 O ATOM 901 CB CYS A 62 2.101 -5.310 1.370 1.00 0.00 C ATOM 902 SG CYS A 62 1.639 -3.565 1.272 1.00 0.00 S ATOM 0 H CYS A 62 2.919 -4.518 4.279 1.00 0.00 H new ATOM 0 HA CYS A 62 3.264 -6.711 2.508 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.559 -5.607 0.426 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.197 -5.908 1.488 1.00 0.00 H new ATOM 0 HG CYS A 62 2.603 -2.833 1.746 1.00 0.00 H new ATOM 908 N ARG A 63 5.407 -5.636 1.909 1.00 0.00 N ATOM 909 CA ARG A 63 6.720 -5.052 1.676 1.00 0.00 C ATOM 910 C ARG A 63 6.815 -4.473 0.269 1.00 0.00 C ATOM 911 O ARG A 63 6.342 -5.077 -0.694 1.00 0.00 O ATOM 912 CB ARG A 63 7.812 -6.104 1.886 1.00 0.00 C ATOM 913 CG ARG A 63 7.673 -7.316 0.981 1.00 0.00 C ATOM 914 CD ARG A 63 8.753 -8.347 1.263 1.00 0.00 C ATOM 915 NE ARG A 63 8.639 -9.517 0.393 1.00 0.00 N ATOM 916 CZ ARG A 63 7.588 -10.334 0.381 1.00 0.00 C ATOM 917 NH1 ARG A 63 6.566 -10.125 1.201 1.00 0.00 N ATOM 918 NH2 ARG A 63 7.562 -11.366 -0.451 1.00 0.00 N ATOM 0 H ARG A 63 5.355 -6.640 1.738 1.00 0.00 H new ATOM 0 HA ARG A 63 6.864 -4.242 2.391 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.785 -5.644 1.716 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.792 -6.433 2.925 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.691 -7.767 1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.731 -7.002 -0.061 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.733 -7.890 1.128 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.689 -8.663 2.304 1.00 0.00 H new ATOM 0 HE ARG A 63 9.411 -9.719 -0.243 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.583 -9.335 1.846 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.764 -10.755 1.187 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.347 -11.533 -1.081 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.757 -11.993 -0.461 1.00 0.00 H new ATOM 932 N VAL A 64 7.428 -3.298 0.158 1.00 0.00 N ATOM 933 CA VAL A 64 7.590 -2.634 -1.132 1.00 0.00 C ATOM 934 C VAL A 64 8.525 -3.442 -2.046 1.00 0.00 C ATOM 935 O VAL A 64 8.524 -4.673 -1.991 1.00 0.00 O ATOM 936 CB VAL A 64 8.113 -1.194 -0.936 1.00 0.00 C ATOM 937 CG1 VAL A 64 7.057 -0.341 -0.250 1.00 0.00 C ATOM 938 CG2 VAL A 64 9.399 -1.193 -0.125 1.00 0.00 C ATOM 0 H VAL A 64 7.821 -2.785 0.947 1.00 0.00 H new ATOM 0 HA VAL A 64 6.615 -2.578 -1.617 1.00 0.00 H new ATOM 0 HB VAL A 64 8.327 -0.770 -1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.437 0.672 -0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.157 -0.313 -0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.819 -0.770 0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.749 -0.168 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.212 -1.635 0.854 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.159 -1.775 -0.647 1.00 0.00 H new ATOM 1052 N GLY A 72 6.217 7.946 -4.943 1.00 0.00 N ATOM 1053 CA GLY A 72 5.941 6.731 -4.199 1.00 0.00 C ATOM 1054 C GLY A 72 4.540 6.713 -3.617 1.00 0.00 C ATOM 1055 O GLY A 72 4.348 6.365 -2.452 1.00 0.00 O ATOM 0 HA2 GLY A 72 6.070 5.870 -4.855 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.667 6.629 -3.393 1.00 0.00 H new ATOM 1059 N ASP A 73 3.559 7.091 -4.432 1.00 0.00 N ATOM 1060 CA ASP A 73 2.167 7.121 -3.998 1.00 0.00 C ATOM 1061 C ASP A 73 1.620 5.709 -3.801 1.00 0.00 C ATOM 1062 O ASP A 73 1.823 4.833 -4.643 1.00 0.00 O ATOM 1063 CB ASP A 73 1.309 7.868 -5.021 1.00 0.00 C ATOM 1064 CG ASP A 73 1.801 9.280 -5.269 1.00 0.00 C ATOM 1065 OD1 ASP A 73 2.952 9.435 -5.725 1.00 0.00 O ATOM 1066 OD2 ASP A 73 1.032 10.231 -5.009 1.00 0.00 O ATOM 0 H ASP A 73 3.704 7.381 -5.399 1.00 0.00 H new ATOM 0 HA ASP A 73 2.127 7.643 -3.042 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.308 7.317 -5.961 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.278 7.902 -4.670 1.00 0.00 H new ATOM 1071 N ILE A 74 0.917 5.501 -2.692 1.00 0.00 N ATOM 1072 CA ILE A 74 0.329 4.200 -2.392 1.00 0.00 C ATOM 1073 C ILE A 74 -1.034 4.063 -3.063 1.00 0.00 C ATOM 1074 O ILE A 74 -1.854 4.979 -3.008 1.00 0.00 O ATOM 1075 CB ILE A 74 0.170 3.990 -0.872 1.00 0.00 C ATOM 1076 CG1 ILE A 74 1.523 4.149 -0.171 1.00 0.00 C ATOM 1077 CG2 ILE A 74 -0.427 2.618 -0.588 1.00 0.00 C ATOM 1078 CD1 ILE A 74 1.439 4.075 1.339 1.00 0.00 C ATOM 0 H ILE A 74 0.741 6.216 -1.987 1.00 0.00 H new ATOM 0 HA ILE A 74 1.007 3.440 -2.780 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.510 4.747 -0.481 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.200 3.372 -0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.959 5.107 -0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.534 2.483 0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.406 2.542 -1.062 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.230 1.845 -0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.435 4.196 1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.788 4.869 1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.033 3.107 1.634 1.00 0.00 H new ATOM 1090 N ILE A 75 -1.270 2.918 -3.700 1.00 0.00 N ATOM 1091 CA ILE A 75 -2.534 2.674 -4.387 1.00 0.00 C ATOM 1092 C ILE A 75 -3.094 1.299 -4.037 1.00 0.00 C ATOM 1093 O ILE A 75 -2.371 0.302 -4.054 1.00 0.00 O ATOM 1094 CB ILE A 75 -2.366 2.763 -5.918 1.00 0.00 C ATOM 1095 CG1 ILE A 75 -1.680 4.076 -6.314 1.00 0.00 C ATOM 1096 CG2 ILE A 75 -3.717 2.633 -6.610 1.00 0.00 C ATOM 1097 CD1 ILE A 75 -2.452 5.318 -5.921 1.00 0.00 C ATOM 0 H ILE A 75 -0.604 2.147 -3.754 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.228 3.446 -4.054 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.732 1.938 -6.242 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.694 4.112 -5.851 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.526 4.083 -7.393 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.581 2.698 -7.689 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.164 1.671 -6.358 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.374 3.437 -6.278 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.901 6.204 -6.236 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.429 5.307 -6.405 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.583 5.338 -4.839 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.389 1.250 -3.731 1.00 0.00 N ATOM 1110 CA VAL A 76 -5.047 -0.007 -3.388 1.00 0.00 C ATOM 1111 C VAL A 76 -6.453 -0.061 -3.976 1.00 0.00 C ATOM 1112 O VAL A 76 -7.331 0.709 -3.584 1.00 0.00 O ATOM 1113 CB VAL A 76 -5.145 -0.200 -1.859 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -5.786 -1.541 -1.527 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -3.776 -0.085 -1.206 1.00 0.00 C ATOM 0 H VAL A 76 -5.002 2.065 -3.714 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.437 -0.806 -3.809 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.778 0.593 -1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.846 -1.658 -0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.789 -1.580 -1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.183 -2.346 -1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.874 -0.225 -0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.114 -0.849 -1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.359 0.902 -1.407 1.00 0.00 H new ATOM 1125 N THR A 77 -6.665 -0.982 -4.911 1.00 0.00 N ATOM 1126 CA THR A 77 -7.968 -1.145 -5.544 1.00 0.00 C ATOM 1127 C THR A 77 -8.896 -1.966 -4.654 1.00 0.00 C ATOM 1128 O THR A 77 -8.460 -2.913 -3.999 1.00 0.00 O ATOM 1129 CB THR A 77 -7.845 -1.827 -6.920 1.00 0.00 C ATOM 1130 OG1 THR A 77 -6.909 -1.114 -7.738 1.00 0.00 O ATOM 1131 CG2 THR A 77 -9.196 -1.878 -7.621 1.00 0.00 C ATOM 0 H THR A 77 -5.950 -1.627 -5.247 1.00 0.00 H new ATOM 0 HA THR A 77 -8.387 -0.149 -5.687 1.00 0.00 H new ATOM 0 HB THR A 77 -7.492 -2.847 -6.765 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.835 -1.554 -8.610 1.00 0.00 H new ATOM 0 HG21 THR A 77 -9.085 -2.364 -8.590 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.901 -2.443 -7.011 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.570 -0.864 -7.764 1.00 0.00 H new ATOM 1139 N THR A 78 -10.174 -1.598 -4.625 1.00 0.00 N ATOM 1140 CA THR A 78 -11.152 -2.304 -3.802 1.00 0.00 C ATOM 1141 C THR A 78 -12.497 -2.421 -4.512 1.00 0.00 C ATOM 1142 O THR A 78 -12.945 -1.485 -5.174 1.00 0.00 O ATOM 1143 CB THR A 78 -11.362 -1.597 -2.450 1.00 0.00 C ATOM 1144 OG1 THR A 78 -11.813 -0.254 -2.665 1.00 0.00 O ATOM 1145 CG2 THR A 78 -10.074 -1.580 -1.638 1.00 0.00 C ATOM 0 H THR A 78 -10.556 -0.818 -5.160 1.00 0.00 H new ATOM 0 HA THR A 78 -10.750 -3.302 -3.628 1.00 0.00 H new ATOM 0 HB THR A 78 -12.117 -2.150 -1.891 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.098 0.136 -1.812 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.249 -1.075 -0.688 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.749 -2.603 -1.450 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.301 -1.049 -2.193 1.00 0.00 H new ATOM 1153 N LYS A 79 -13.136 -3.583 -4.368 1.00 0.00 N ATOM 1154 CA LYS A 79 -14.432 -3.831 -4.993 1.00 0.00 C ATOM 1155 C LYS A 79 -15.458 -2.789 -4.560 1.00 0.00 C ATOM 1156 O LYS A 79 -16.126 -2.179 -5.395 1.00 0.00 O ATOM 1157 CB LYS A 79 -14.934 -5.233 -4.636 1.00 0.00 C ATOM 1158 CG LYS A 79 -14.041 -6.354 -5.149 1.00 0.00 C ATOM 1159 CD LYS A 79 -13.999 -6.391 -6.671 1.00 0.00 C ATOM 1160 CE LYS A 79 -15.369 -6.684 -7.262 1.00 0.00 C ATOM 1161 NZ LYS A 79 -15.905 -7.994 -6.798 1.00 0.00 N ATOM 0 H LYS A 79 -12.775 -4.366 -3.823 1.00 0.00 H new ATOM 0 HA LYS A 79 -14.303 -3.760 -6.073 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -15.017 -5.314 -3.552 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.937 -5.364 -5.043 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.031 -6.221 -4.761 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.404 -7.310 -4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.636 -5.435 -7.049 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.291 -7.153 -6.998 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -16.062 -5.889 -6.984 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.303 -6.684 -8.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.713 -8.268 -7.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.162 -8.718 -6.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -16.215 -7.912 -5.809 1.00 0.00 H new ATOM 1175 N SER A 80 -15.574 -2.583 -3.251 1.00 0.00 N ATOM 1176 CA SER A 80 -16.516 -1.606 -2.715 1.00 0.00 C ATOM 1177 C SER A 80 -16.120 -0.198 -3.143 1.00 0.00 C ATOM 1178 O SER A 80 -16.922 0.539 -3.715 1.00 0.00 O ATOM 1179 CB SER A 80 -16.564 -1.694 -1.188 1.00 0.00 C ATOM 1180 OG SER A 80 -16.951 -2.988 -0.763 1.00 0.00 O ATOM 0 H SER A 80 -15.030 -3.078 -2.544 1.00 0.00 H new ATOM 0 HA SER A 80 -17.507 -1.829 -3.111 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.585 -1.450 -0.776 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.266 -0.956 -0.800 1.00 0.00 H new ATOM 0 HG SER A 80 -16.972 -3.018 0.216 1.00 0.00 H new ATOM 1186 N GLY A 81 -14.869 0.158 -2.871 1.00 0.00 N ATOM 1187 CA GLY A 81 -14.368 1.468 -3.243 1.00 0.00 C ATOM 1188 C GLY A 81 -13.971 1.534 -4.703 1.00 0.00 C ATOM 1189 O GLY A 81 -14.782 1.253 -5.587 1.00 0.00 O ATOM 0 H GLY A 81 -14.191 -0.440 -2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.133 2.218 -3.042 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.507 1.716 -2.622 1.00 0.00 H new ATOM 1193 N GLY A 82 -12.718 1.901 -4.955 1.00 0.00 N ATOM 1194 CA GLY A 82 -12.227 1.992 -6.318 1.00 0.00 C ATOM 1195 C GLY A 82 -10.722 2.174 -6.374 1.00 0.00 C ATOM 1196 O GLY A 82 -9.991 1.574 -5.587 1.00 0.00 O ATOM 0 H GLY A 82 -12.033 2.137 -4.238 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.503 1.089 -6.863 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.711 2.828 -6.822 1.00 0.00 H new ATOM 1200 N LYS A 83 -10.259 3.004 -7.305 1.00 0.00 N ATOM 1201 CA LYS A 83 -8.829 3.258 -7.453 1.00 0.00 C ATOM 1202 C LYS A 83 -8.260 3.895 -6.190 1.00 0.00 C ATOM 1203 O LYS A 83 -8.805 4.871 -5.674 1.00 0.00 O ATOM 1204 CB LYS A 83 -8.566 4.162 -8.659 1.00 0.00 C ATOM 1205 CG LYS A 83 -7.088 4.422 -8.913 1.00 0.00 C ATOM 1206 CD LYS A 83 -6.881 5.336 -10.110 1.00 0.00 C ATOM 1207 CE LYS A 83 -5.404 5.584 -10.371 1.00 0.00 C ATOM 1208 NZ LYS A 83 -4.668 4.318 -10.643 1.00 0.00 N ATOM 0 H LYS A 83 -10.850 3.510 -7.965 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.331 2.302 -7.615 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.004 3.706 -9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.073 5.115 -8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.639 4.873 -8.028 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.575 3.476 -9.084 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.338 4.890 -10.993 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.386 6.286 -9.935 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.294 6.258 -11.221 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.962 6.083 -9.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.734 4.539 -11.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.547 3.789 -9.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.208 3.741 -11.319 1.00 0.00 H new ATOM 1222 N GLY A 84 -7.165 3.331 -5.696 1.00 0.00 N ATOM 1223 CA GLY A 84 -6.536 3.846 -4.494 1.00 0.00 C ATOM 1224 C GLY A 84 -5.879 5.198 -4.699 1.00 0.00 C ATOM 1225 O GLY A 84 -5.413 5.512 -5.793 1.00 0.00 O ATOM 0 H GLY A 84 -6.699 2.523 -6.108 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.285 3.928 -3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -5.787 3.133 -4.149 1.00 0.00 H new ATOM 1229 N THR A 85 -5.842 5.991 -3.632 1.00 0.00 N ATOM 1230 CA THR A 85 -5.237 7.320 -3.665 1.00 0.00 C ATOM 1231 C THR A 85 -4.655 7.664 -2.298 1.00 0.00 C ATOM 1232 O THR A 85 -5.194 7.256 -1.270 1.00 0.00 O ATOM 1233 CB THR A 85 -6.258 8.406 -4.062 1.00 0.00 C ATOM 1234 OG1 THR A 85 -7.387 8.364 -3.181 1.00 0.00 O ATOM 1235 CG2 THR A 85 -6.721 8.223 -5.500 1.00 0.00 C ATOM 0 H THR A 85 -6.228 5.733 -2.724 1.00 0.00 H new ATOM 0 HA THR A 85 -4.448 7.298 -4.417 1.00 0.00 H new ATOM 0 HB THR A 85 -5.769 9.376 -3.979 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.029 9.058 -3.439 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.440 9.002 -5.753 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.863 8.290 -6.170 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.192 7.246 -5.609 1.00 0.00 H new ATOM 1243 N SER A 86 -3.549 8.403 -2.282 1.00 0.00 N ATOM 1244 CA SER A 86 -2.913 8.771 -1.021 1.00 0.00 C ATOM 1245 C SER A 86 -2.025 10.001 -1.168 1.00 0.00 C ATOM 1246 O SER A 86 -1.226 10.101 -2.099 1.00 0.00 O ATOM 1247 CB SER A 86 -2.077 7.606 -0.492 1.00 0.00 C ATOM 1248 OG SER A 86 -1.440 7.949 0.726 1.00 0.00 O ATOM 0 H SER A 86 -3.080 8.755 -3.116 1.00 0.00 H new ATOM 0 HA SER A 86 -3.709 9.009 -0.316 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.715 6.736 -0.340 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.327 7.326 -1.232 1.00 0.00 H new ATOM 0 HG SER A 86 -0.491 8.130 0.559 1.00 0.00 H new ATOM 1254 N THR A 87 -2.164 10.926 -0.223 1.00 0.00 N ATOM 1255 CA THR A 87 -1.369 12.146 -0.216 1.00 0.00 C ATOM 1256 C THR A 87 0.041 11.862 0.289 1.00 0.00 C ATOM 1257 O THR A 87 1.009 12.487 -0.145 1.00 0.00 O ATOM 1258 CB THR A 87 -2.008 13.233 0.670 1.00 0.00 C ATOM 1259 OG1 THR A 87 -2.091 12.775 2.025 1.00 0.00 O ATOM 1260 CG2 THR A 87 -3.398 13.597 0.168 1.00 0.00 C ATOM 0 H THR A 87 -2.824 10.851 0.551 1.00 0.00 H new ATOM 0 HA THR A 87 -1.328 12.509 -1.243 1.00 0.00 H new ATOM 0 HB THR A 87 -1.379 14.122 0.624 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.497 13.472 2.582 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.827 14.366 0.810 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.329 13.974 -0.853 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.035 12.712 0.186 1.00 0.00 H new ATOM 1268 N VAL A 88 0.142 10.914 1.217 1.00 0.00 N ATOM 1269 CA VAL A 88 1.424 10.538 1.800 1.00 0.00 C ATOM 1270 C VAL A 88 2.159 9.529 0.923 1.00 0.00 C ATOM 1271 O VAL A 88 1.555 8.606 0.376 1.00 0.00 O ATOM 1272 CB VAL A 88 1.241 9.946 3.211 1.00 0.00 C ATOM 1273 CG1 VAL A 88 0.657 10.987 4.155 1.00 0.00 C ATOM 1274 CG2 VAL A 88 0.356 8.708 3.164 1.00 0.00 C ATOM 0 H VAL A 88 -0.654 10.391 1.582 1.00 0.00 H new ATOM 0 HA VAL A 88 2.021 11.448 1.868 1.00 0.00 H new ATOM 0 HB VAL A 88 2.220 9.651 3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.535 10.551 5.147 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.330 11.842 4.215 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.313 11.314 3.781 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.240 8.306 4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.622 8.975 2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.816 7.956 2.523 1.00 0.00 H new ATOM 1284 N SER A 89 3.471 9.714 0.794 1.00 0.00 N ATOM 1285 CA SER A 89 4.297 8.824 -0.016 1.00 0.00 C ATOM 1286 C SER A 89 5.384 8.172 0.833 1.00 0.00 C ATOM 1287 O SER A 89 5.976 8.816 1.700 1.00 0.00 O ATOM 1288 CB SER A 89 4.929 9.596 -1.173 1.00 0.00 C ATOM 1289 OG SER A 89 5.763 10.639 -0.698 1.00 0.00 O ATOM 0 H SER A 89 3.985 10.473 1.241 1.00 0.00 H new ATOM 0 HA SER A 89 3.658 8.039 -0.420 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.512 8.915 -1.793 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.146 10.013 -1.806 1.00 0.00 H new ATOM 0 HG SER A 89 6.156 11.116 -1.459 1.00 0.00 H new ATOM 1295 N PHE A 90 5.640 6.892 0.579 1.00 0.00 N ATOM 1296 CA PHE A 90 6.655 6.155 1.326 1.00 0.00 C ATOM 1297 C PHE A 90 8.042 6.330 0.717 1.00 0.00 C ATOM 1298 O PHE A 90 8.227 6.182 -0.492 1.00 0.00 O ATOM 1299 CB PHE A 90 6.310 4.663 1.375 1.00 0.00 C ATOM 1300 CG PHE A 90 7.398 3.821 1.985 1.00 0.00 C ATOM 1301 CD1 PHE A 90 7.842 4.063 3.276 1.00 0.00 C ATOM 1302 CD2 PHE A 90 7.986 2.795 1.261 1.00 0.00 C ATOM 1303 CE1 PHE A 90 8.849 3.298 3.833 1.00 0.00 C ATOM 1304 CE2 PHE A 90 8.993 2.026 1.814 1.00 0.00 C ATOM 1305 CZ PHE A 90 9.425 2.278 3.100 1.00 0.00 C ATOM 0 H PHE A 90 5.161 6.345 -0.136 1.00 0.00 H new ATOM 0 HA PHE A 90 6.667 6.562 2.337 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.392 4.528 1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.111 4.310 0.363 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.395 4.859 3.853 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.653 2.594 0.253 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.185 3.497 4.840 1.00 0.00 H new ATOM 0 HE2 PHE A 90 9.441 1.229 1.240 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.212 1.679 3.533 1.00 0.00 H new ATOM 1315 N LYS A 91 9.020 6.621 1.570 1.00 0.00 N ATOM 1316 CA LYS A 91 10.398 6.785 1.129 1.00 0.00 C ATOM 1317 C LYS A 91 11.084 5.429 1.018 1.00 0.00 C ATOM 1318 O LYS A 91 11.135 4.671 1.987 1.00 0.00 O ATOM 1319 CB LYS A 91 11.170 7.676 2.107 1.00 0.00 C ATOM 1320 CG LYS A 91 12.681 7.571 1.959 1.00 0.00 C ATOM 1321 CD LYS A 91 13.409 8.432 2.979 1.00 0.00 C ATOM 1322 CE LYS A 91 13.284 9.907 2.648 1.00 0.00 C ATOM 1323 NZ LYS A 91 13.952 10.767 3.663 1.00 0.00 N ATOM 0 H LYS A 91 8.881 6.748 2.573 1.00 0.00 H new ATOM 0 HA LYS A 91 10.389 7.260 0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.869 8.713 1.957 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.893 7.408 3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.986 6.531 2.077 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.970 7.876 0.953 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.002 8.245 3.972 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.462 8.152 3.008 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.722 10.097 1.668 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.230 10.176 2.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.842 11.767 3.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.518 10.606 4.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.964 10.530 3.707 1.00 0.00 H new ATOM 1337 N LEU A 92 11.619 5.126 -0.158 1.00 0.00 N ATOM 1338 CA LEU A 92 12.305 3.859 -0.369 1.00 0.00 C ATOM 1339 C LEU A 92 13.814 4.038 -0.260 1.00 0.00 C ATOM 1340 O LEU A 92 14.414 4.811 -1.007 1.00 0.00 O ATOM 1341 CB LEU A 92 11.948 3.273 -1.735 1.00 0.00 C ATOM 1342 CG LEU A 92 12.562 1.902 -2.025 1.00 0.00 C ATOM 1343 CD1 LEU A 92 12.062 0.871 -1.025 1.00 0.00 C ATOM 1344 CD2 LEU A 92 12.244 1.464 -3.444 1.00 0.00 C ATOM 0 H LEU A 92 11.591 5.736 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 92 11.978 3.167 0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 92 10.863 3.193 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.269 3.970 -2.509 1.00 0.00 H new ATOM 0 HG LEU A 92 13.644 1.983 -1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.509 -0.098 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.341 1.177 -0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.977 0.794 -1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.689 0.487 -3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.163 1.401 -3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.651 2.189 -4.149 1.00 0.00 H new ATOM 1356 N LEU A 93 14.420 3.312 0.671 1.00 0.00 N ATOM 1357 CA LEU A 93 15.861 3.385 0.875 1.00 0.00 C ATOM 1358 C LEU A 93 16.568 2.257 0.129 1.00 0.00 C ATOM 1359 O LEU A 93 16.085 1.126 0.095 1.00 0.00 O ATOM 1360 CB LEU A 93 16.190 3.329 2.369 1.00 0.00 C ATOM 1361 CG LEU A 93 15.469 4.369 3.233 1.00 0.00 C ATOM 1362 CD1 LEU A 93 15.897 4.242 4.686 1.00 0.00 C ATOM 1363 CD2 LEU A 93 15.735 5.780 2.719 1.00 0.00 C ATOM 0 H LEU A 93 13.937 2.667 1.296 1.00 0.00 H new ATOM 0 HA LEU A 93 16.218 4.334 0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 93 15.943 2.335 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 93 17.265 3.458 2.494 1.00 0.00 H new ATOM 0 HG LEU A 93 14.397 4.181 3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.375 4.988 5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.651 3.245 5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 93 16.972 4.401 4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.213 6.501 3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 93 16.806 5.982 2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.377 5.867 1.693 1.00 0.00 H new ATOM 1375 N LYS A 94 17.705 2.577 -0.477 1.00 0.00 N ATOM 1376 CA LYS A 94 18.474 1.592 -1.233 1.00 0.00 C ATOM 1377 C LYS A 94 18.906 0.422 -0.348 1.00 0.00 C ATOM 1378 O LYS A 94 19.380 0.622 0.771 1.00 0.00 O ATOM 1379 CB LYS A 94 19.699 2.251 -1.867 1.00 0.00 C ATOM 1380 CG LYS A 94 20.627 2.909 -0.859 1.00 0.00 C ATOM 1381 CD LYS A 94 21.832 3.535 -1.540 1.00 0.00 C ATOM 1382 CE LYS A 94 22.761 4.196 -0.536 1.00 0.00 C ATOM 1383 NZ LYS A 94 23.951 4.800 -1.193 1.00 0.00 N ATOM 0 H LYS A 94 18.116 3.510 -0.461 1.00 0.00 H new ATOM 0 HA LYS A 94 17.830 1.199 -2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 94 20.257 1.499 -2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 94 19.367 3.000 -2.585 1.00 0.00 H new ATOM 0 HG2 LYS A 94 20.082 3.674 -0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 94 20.962 2.168 -0.133 1.00 0.00 H new ATOM 0 HD2 LYS A 94 22.377 2.769 -2.092 1.00 0.00 H new ATOM 0 HD3 LYS A 94 21.496 4.274 -2.267 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.217 4.968 0.009 1.00 0.00 H new ATOM 0 HE3 LYS A 94 23.087 3.458 0.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 24.559 5.240 -0.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 24.485 4.060 -1.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 23.642 5.523 -1.874 1.00 0.00 H new ATOM 1397 N PRO A 95 18.743 -0.821 -0.841 1.00 0.00 N ATOM 1398 CA PRO A 95 19.114 -2.031 -0.093 1.00 0.00 C ATOM 1399 C PRO A 95 20.584 -2.053 0.302 1.00 0.00 C ATOM 1400 O PRO A 95 21.463 -1.786 -0.519 1.00 0.00 O ATOM 1401 CB PRO A 95 18.825 -3.166 -1.079 1.00 0.00 C ATOM 1402 CG PRO A 95 17.826 -2.603 -2.027 1.00 0.00 C ATOM 1403 CD PRO A 95 18.176 -1.150 -2.163 1.00 0.00 C ATOM 0 HA PRO A 95 18.563 -2.102 0.845 1.00 0.00 H new ATOM 0 HB2 PRO A 95 19.731 -3.478 -1.599 1.00 0.00 H new ATOM 0 HB3 PRO A 95 18.432 -4.044 -0.567 1.00 0.00 H new ATOM 0 HG2 PRO A 95 17.871 -3.109 -2.991 1.00 0.00 H new ATOM 0 HG3 PRO A 95 16.812 -2.728 -1.648 1.00 0.00 H new ATOM 0 HD2 PRO A 95 18.895 -0.981 -2.964 1.00 0.00 H new ATOM 0 HD3 PRO A 95 17.299 -0.543 -2.389 1.00 0.00 H new