USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=27 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 : no HD1:sc= -0.12 X(o=0.067,f=0.31) USER MOD Set 1.2: A 48 CYS SG : rot -2:sc= 0.187 USER MOD Single : A 6 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 11 THR OG1 : rot -60:sc= 1.11 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN :FLIP amide:sc= -0.0595 F(o=-5.4!,f=-0.06) USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.783 USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= -0.0153 (180deg=-0.246) 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= -2.23! USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -177:sc= -0.194 (180deg=-0.222) USER MOD Single : A 56 SER OG : rot -14:sc= 0.826 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 22:sc= 0.0132 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc=1.58e-05 USER MOD Single : A 79 LYS NZ :NH3+ 165:sc= -0.03 (180deg=-0.274) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -167:sc= -0.0275 (180deg=-0.231) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -99:sc= 1.18 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+ 168:sc= -0.0284 (180deg=-0.226) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 62 N GLN A 6 -16.642 5.931 -1.388 1.00 0.00 N ATOM 63 CA GLN A 6 -15.472 6.790 -1.552 1.00 0.00 C ATOM 64 C GLN A 6 -14.202 5.959 -1.736 1.00 0.00 C ATOM 65 O GLN A 6 -14.001 4.958 -1.047 1.00 0.00 O ATOM 66 CB GLN A 6 -15.318 7.714 -0.341 1.00 0.00 C ATOM 67 CG GLN A 6 -16.469 8.695 -0.172 1.00 0.00 C ATOM 68 CD GLN A 6 -16.350 9.550 1.080 1.00 0.00 C ATOM 69 OE1 GLN A 6 -15.317 9.307 1.882 1.00 0.00 O flip ATOM 70 NE2 GLN A 6 -17.184 10.422 1.326 1.00 0.00 N flip ATOM 0 HA GLN A 6 -15.621 7.394 -2.447 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.234 7.107 0.560 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.387 8.273 -0.437 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.514 9.346 -1.045 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -17.407 8.141 -0.138 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -17.963 10.578 0.686 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -17.096 10.988 2.170 1.00 0.00 H new ATOM 79 N PRO A 7 -13.321 6.366 -2.671 1.00 0.00 N ATOM 80 CA PRO A 7 -12.064 5.657 -2.940 1.00 0.00 C ATOM 81 C PRO A 7 -11.168 5.581 -1.705 1.00 0.00 C ATOM 82 O PRO A 7 -11.104 6.527 -0.919 1.00 0.00 O ATOM 83 CB PRO A 7 -11.395 6.490 -4.040 1.00 0.00 C ATOM 84 CG PRO A 7 -12.072 7.818 -3.993 1.00 0.00 C ATOM 85 CD PRO A 7 -13.476 7.550 -3.534 1.00 0.00 C ATOM 0 HA PRO A 7 -12.241 4.621 -3.231 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.324 6.588 -3.863 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.515 6.021 -5.017 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.560 8.493 -3.308 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.066 8.294 -4.974 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.891 8.397 -2.987 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -14.144 7.354 -4.372 1.00 0.00 H new ATOM 93 N PRO A 8 -10.461 4.449 -1.514 1.00 0.00 N ATOM 94 CA PRO A 8 -9.570 4.260 -0.363 1.00 0.00 C ATOM 95 C PRO A 8 -8.529 5.368 -0.250 1.00 0.00 C ATOM 96 O PRO A 8 -7.844 5.689 -1.220 1.00 0.00 O ATOM 97 CB PRO A 8 -8.889 2.918 -0.650 1.00 0.00 C ATOM 98 CG PRO A 8 -9.819 2.205 -1.570 1.00 0.00 C ATOM 99 CD PRO A 8 -10.476 3.270 -2.400 1.00 0.00 C ATOM 0 HA PRO A 8 -10.117 4.281 0.580 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.911 3.062 -1.110 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.730 2.352 0.268 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.279 1.497 -2.199 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.560 1.634 -1.011 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.928 3.455 -3.324 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.491 2.991 -2.681 1.00 0.00 H new ATOM 107 N LEU A 9 -8.416 5.947 0.940 1.00 0.00 N ATOM 108 CA LEU A 9 -7.458 7.018 1.180 1.00 0.00 C ATOM 109 C LEU A 9 -6.391 6.587 2.182 1.00 0.00 C ATOM 110 O LEU A 9 -6.661 6.470 3.377 1.00 0.00 O ATOM 111 CB LEU A 9 -8.178 8.265 1.696 1.00 0.00 C ATOM 112 CG LEU A 9 -7.265 9.403 2.158 1.00 0.00 C ATOM 113 CD1 LEU A 9 -6.453 9.949 0.994 1.00 0.00 C ATOM 114 CD2 LEU A 9 -8.081 10.508 2.809 1.00 0.00 C ATOM 0 H LEU A 9 -8.976 5.692 1.753 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.969 7.249 0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.829 8.641 0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.820 7.976 2.528 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.570 9.006 2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.811 10.757 1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.838 9.153 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.127 10.329 0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.416 11.309 3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.800 10.901 2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.612 10.108 3.672 1.00 0.00 H new ATOM 126 N VAL A 10 -5.177 6.371 1.689 1.00 0.00 N ATOM 127 CA VAL A 10 -4.068 5.972 2.544 1.00 0.00 C ATOM 128 C VAL A 10 -3.411 7.197 3.171 1.00 0.00 C ATOM 129 O VAL A 10 -3.201 8.209 2.501 1.00 0.00 O ATOM 130 CB VAL A 10 -3.009 5.168 1.764 1.00 0.00 C ATOM 131 CG1 VAL A 10 -1.867 4.752 2.679 1.00 0.00 C ATOM 132 CG2 VAL A 10 -3.645 3.952 1.107 1.00 0.00 C ATOM 0 H VAL A 10 -4.937 6.466 0.702 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.477 5.334 3.327 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.599 5.806 0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.131 4.186 2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.395 5.640 3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.255 4.131 3.486 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.885 3.395 0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.083 3.312 1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.423 4.277 0.417 1.00 0.00 H new ATOM 142 N THR A 11 -3.095 7.104 4.457 1.00 0.00 N ATOM 143 CA THR A 11 -2.469 8.210 5.169 1.00 0.00 C ATOM 144 C THR A 11 -1.913 7.761 6.518 1.00 0.00 C ATOM 145 O THR A 11 -2.186 8.368 7.555 1.00 0.00 O ATOM 146 CB THR A 11 -3.456 9.374 5.371 1.00 0.00 C ATOM 147 OG1 THR A 11 -2.856 10.406 6.163 1.00 0.00 O ATOM 148 CG2 THR A 11 -4.728 8.885 6.037 1.00 0.00 C ATOM 0 H THR A 11 -3.262 6.275 5.027 1.00 0.00 H new ATOM 0 HA THR A 11 -1.641 8.558 4.552 1.00 0.00 H new ATOM 0 HB THR A 11 -3.708 9.781 4.392 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.608 10.044 7.039 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.413 9.722 6.171 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.199 8.128 5.410 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.487 8.454 7.009 1.00 0.00 H new ATOM 156 N GLY A 12 -1.124 6.691 6.491 1.00 0.00 N ATOM 157 CA GLY A 12 -0.530 6.172 7.709 1.00 0.00 C ATOM 158 C GLY A 12 0.509 5.106 7.435 1.00 0.00 C ATOM 159 O GLY A 12 0.305 4.228 6.597 1.00 0.00 O ATOM 0 H GLY A 12 -0.885 6.173 5.645 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.070 6.990 8.263 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.313 5.758 8.344 1.00 0.00 H new ATOM 163 N ILE A 13 1.626 5.189 8.147 1.00 0.00 N ATOM 164 CA ILE A 13 2.714 4.230 7.988 1.00 0.00 C ATOM 165 C ILE A 13 3.695 4.333 9.151 1.00 0.00 C ATOM 166 O ILE A 13 4.121 5.428 9.519 1.00 0.00 O ATOM 167 CB ILE A 13 3.468 4.452 6.658 1.00 0.00 C ATOM 168 CG1 ILE A 13 4.550 3.384 6.468 1.00 0.00 C ATOM 169 CG2 ILE A 13 4.078 5.847 6.618 1.00 0.00 C ATOM 170 CD1 ILE A 13 5.240 3.455 5.122 1.00 0.00 C ATOM 0 H ILE A 13 1.803 5.913 8.843 1.00 0.00 H new ATOM 0 HA ILE A 13 2.272 3.234 7.976 1.00 0.00 H new ATOM 0 HB ILE A 13 2.755 4.365 5.838 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.296 3.490 7.256 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.100 2.398 6.585 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.605 5.987 5.674 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.288 6.592 6.706 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.778 5.962 7.445 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.993 2.670 5.057 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.505 3.319 4.329 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.719 4.428 5.010 1.00 0.00 H new ATOM 182 N SER A 14 4.054 3.192 9.733 1.00 0.00 N ATOM 183 CA SER A 14 4.985 3.184 10.854 1.00 0.00 C ATOM 184 C SER A 14 6.391 3.572 10.390 1.00 0.00 C ATOM 185 O SER A 14 6.958 4.547 10.884 1.00 0.00 O ATOM 186 CB SER A 14 4.996 1.819 11.549 1.00 0.00 C ATOM 187 OG SER A 14 5.912 1.803 12.629 1.00 0.00 O ATOM 0 H SER A 14 3.718 2.271 9.450 1.00 0.00 H new ATOM 0 HA SER A 14 4.649 3.925 11.579 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.996 1.585 11.913 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.263 1.044 10.831 1.00 0.00 H new ATOM 0 HG SER A 14 5.898 0.921 13.056 1.00 0.00 H new ATOM 193 N PRO A 15 6.986 2.825 9.431 1.00 0.00 N ATOM 194 CA PRO A 15 8.316 3.123 8.926 1.00 0.00 C ATOM 195 C PRO A 15 8.287 4.006 7.682 1.00 0.00 C ATOM 196 O PRO A 15 7.832 3.581 6.621 1.00 0.00 O ATOM 197 CB PRO A 15 8.844 1.733 8.586 1.00 0.00 C ATOM 198 CG PRO A 15 7.637 0.963 8.149 1.00 0.00 C ATOM 199 CD PRO A 15 6.426 1.638 8.758 1.00 0.00 C ATOM 0 HA PRO A 15 8.924 3.679 9.640 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.593 1.777 7.795 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.319 1.268 9.450 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.563 0.950 7.062 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.704 -0.074 8.477 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.698 1.916 7.996 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.915 0.982 9.463 1.00 0.00 H new ATOM 207 N ASN A 16 8.784 5.232 7.814 1.00 0.00 N ATOM 208 CA ASN A 16 8.819 6.162 6.690 1.00 0.00 C ATOM 209 C ASN A 16 10.178 6.126 5.997 1.00 0.00 C ATOM 210 O ASN A 16 10.638 7.131 5.455 1.00 0.00 O ATOM 211 CB ASN A 16 8.495 7.584 7.158 1.00 0.00 C ATOM 212 CG ASN A 16 9.415 8.080 8.262 1.00 0.00 C ATOM 213 OD1 ASN A 16 10.368 7.251 8.677 1.00 0.00 O flip ATOM 214 ND2 ASN A 16 9.271 9.206 8.738 1.00 0.00 N flip ATOM 0 H ASN A 16 9.166 5.604 8.684 1.00 0.00 H new ATOM 0 HA ASN A 16 8.061 5.852 5.971 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.561 8.263 6.308 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.465 7.616 7.512 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.528 9.814 8.394 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.895 9.531 9.477 1.00 0.00 H new ATOM 221 N GLU A 17 10.807 4.953 6.016 1.00 0.00 N ATOM 222 CA GLU A 17 12.112 4.760 5.389 1.00 0.00 C ATOM 223 C GLU A 17 12.575 3.315 5.560 1.00 0.00 C ATOM 224 O GLU A 17 12.563 2.779 6.669 1.00 0.00 O ATOM 225 CB GLU A 17 13.147 5.715 5.992 1.00 0.00 C ATOM 226 CG GLU A 17 13.327 5.556 7.492 1.00 0.00 C ATOM 227 CD GLU A 17 14.364 6.507 8.057 1.00 0.00 C ATOM 228 OE1 GLU A 17 15.536 6.429 7.628 1.00 0.00 O ATOM 229 OE2 GLU A 17 14.006 7.329 8.926 1.00 0.00 O ATOM 0 H GLU A 17 10.431 4.117 6.462 1.00 0.00 H new ATOM 0 HA GLU A 17 12.015 4.977 4.325 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.107 5.553 5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.849 6.741 5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.372 5.728 7.989 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.621 4.530 7.713 1.00 0.00 H new ATOM 236 N GLY A 18 12.976 2.685 4.459 1.00 0.00 N ATOM 237 CA GLY A 18 13.429 1.307 4.526 1.00 0.00 C ATOM 238 C GLY A 18 13.525 0.649 3.165 1.00 0.00 C ATOM 239 O GLY A 18 12.736 0.942 2.266 1.00 0.00 O ATOM 0 H GLY A 18 12.995 3.101 3.528 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.406 1.274 5.009 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.744 0.735 5.152 1.00 0.00 H new ATOM 243 N ILE A 19 14.493 -0.252 3.017 1.00 0.00 N ATOM 244 CA ILE A 19 14.693 -0.970 1.763 1.00 0.00 C ATOM 245 C ILE A 19 13.398 -1.646 1.307 1.00 0.00 C ATOM 246 O ILE A 19 12.485 -1.843 2.107 1.00 0.00 O ATOM 247 CB ILE A 19 15.800 -2.034 1.897 1.00 0.00 C ATOM 248 CG1 ILE A 19 15.443 -3.044 2.993 1.00 0.00 C ATOM 249 CG2 ILE A 19 17.137 -1.368 2.193 1.00 0.00 C ATOM 250 CD1 ILE A 19 16.431 -4.184 3.116 1.00 0.00 C ATOM 0 H ILE A 19 15.153 -0.502 3.753 1.00 0.00 H new ATOM 0 HA ILE A 19 14.997 -0.235 1.018 1.00 0.00 H new ATOM 0 HB ILE A 19 15.884 -2.572 0.953 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.382 -2.523 3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.453 -3.453 2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 19 17.911 -2.130 2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.393 -0.688 1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 19 17.066 -0.808 3.126 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.112 -4.858 3.912 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.475 -4.730 2.174 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.418 -3.786 3.351 1.00 0.00 H new ATOM 262 N PRO A 20 13.293 -1.997 0.011 1.00 0.00 N ATOM 263 CA PRO A 20 12.094 -2.642 -0.540 1.00 0.00 C ATOM 264 C PRO A 20 11.604 -3.818 0.304 1.00 0.00 C ATOM 265 O PRO A 20 10.401 -4.019 0.464 1.00 0.00 O ATOM 266 CB PRO A 20 12.560 -3.128 -1.913 1.00 0.00 C ATOM 267 CG PRO A 20 13.630 -2.172 -2.303 1.00 0.00 C ATOM 268 CD PRO A 20 14.326 -1.785 -1.026 1.00 0.00 C ATOM 0 HA PRO A 20 11.247 -1.956 -0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.938 -4.149 -1.865 1.00 0.00 H new ATOM 0 HB3 PRO A 20 11.742 -3.124 -2.634 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.327 -2.631 -3.004 1.00 0.00 H new ATOM 0 HG3 PRO A 20 13.210 -1.297 -2.799 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.207 -2.402 -0.847 1.00 0.00 H new ATOM 0 HD3 PRO A 20 14.662 -0.748 -1.051 1.00 0.00 H new ATOM 276 N TRP A 21 12.537 -4.600 0.834 1.00 0.00 N ATOM 277 CA TRP A 21 12.182 -5.757 1.649 1.00 0.00 C ATOM 278 C TRP A 21 11.655 -5.352 3.024 1.00 0.00 C ATOM 279 O TRP A 21 10.969 -6.134 3.682 1.00 0.00 O ATOM 280 CB TRP A 21 13.375 -6.702 1.798 1.00 0.00 C ATOM 281 CG TRP A 21 13.789 -7.338 0.507 1.00 0.00 C ATOM 282 CD1 TRP A 21 14.777 -6.920 -0.338 1.00 0.00 C ATOM 283 CD2 TRP A 21 13.202 -8.495 -0.101 1.00 0.00 C ATOM 284 NE1 TRP A 21 14.854 -7.759 -1.424 1.00 0.00 N ATOM 285 CE2 TRP A 21 13.894 -8.732 -1.303 1.00 0.00 C ATOM 286 CE3 TRP A 21 12.162 -9.357 0.259 1.00 0.00 C ATOM 287 CZ2 TRP A 21 13.580 -9.794 -2.146 1.00 0.00 C ATOM 288 CZ3 TRP A 21 11.848 -10.411 -0.580 1.00 0.00 C ATOM 289 CH2 TRP A 21 12.555 -10.621 -1.770 1.00 0.00 C ATOM 0 H TRP A 21 13.540 -4.456 0.715 1.00 0.00 H new ATOM 0 HA TRP A 21 11.378 -6.278 1.129 1.00 0.00 H new ATOM 0 HB2 TRP A 21 14.219 -6.149 2.210 1.00 0.00 H new ATOM 0 HB3 TRP A 21 13.124 -7.483 2.516 1.00 0.00 H new ATOM 0 HD1 TRP A 21 15.406 -6.057 -0.177 1.00 0.00 H new ATOM 0 HE1 TRP A 21 15.517 -7.672 -2.194 1.00 0.00 H new ATOM 0 HE3 TRP A 21 11.613 -9.203 1.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 14.125 -9.960 -3.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 11.045 -11.082 -0.313 1.00 0.00 H new ATOM 0 HH2 TRP A 21 12.287 -11.452 -2.405 1.00 0.00 H new ATOM 300 N THR A 22 11.977 -4.139 3.461 1.00 0.00 N ATOM 301 CA THR A 22 11.524 -3.658 4.764 1.00 0.00 C ATOM 302 C THR A 22 10.004 -3.724 4.875 1.00 0.00 C ATOM 303 O THR A 22 9.285 -3.217 4.013 1.00 0.00 O ATOM 304 CB THR A 22 11.980 -2.208 5.028 1.00 0.00 C ATOM 305 OG1 THR A 22 13.410 -2.132 5.018 1.00 0.00 O ATOM 306 CG2 THR A 22 11.452 -1.708 6.365 1.00 0.00 C ATOM 0 H THR A 22 12.546 -3.474 2.937 1.00 0.00 H new ATOM 0 HA THR A 22 11.974 -4.312 5.511 1.00 0.00 H new ATOM 0 HB THR A 22 11.577 -1.577 4.236 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.693 -1.251 5.340 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.787 -0.684 6.528 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.362 -1.737 6.360 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.828 -2.345 7.166 1.00 0.00 H new ATOM 314 N LYS A 23 9.522 -4.351 5.943 1.00 0.00 N ATOM 315 CA LYS A 23 8.089 -4.485 6.177 1.00 0.00 C ATOM 316 C LYS A 23 7.471 -3.138 6.537 1.00 0.00 C ATOM 317 O LYS A 23 8.079 -2.335 7.245 1.00 0.00 O ATOM 318 CB LYS A 23 7.824 -5.497 7.294 1.00 0.00 C ATOM 319 CG LYS A 23 6.348 -5.684 7.608 1.00 0.00 C ATOM 320 CD LYS A 23 6.139 -6.691 8.727 1.00 0.00 C ATOM 321 CE LYS A 23 4.663 -6.864 9.050 1.00 0.00 C ATOM 322 NZ LYS A 23 4.037 -5.586 9.488 1.00 0.00 N ATOM 0 H LYS A 23 10.106 -4.776 6.663 1.00 0.00 H new ATOM 0 HA LYS A 23 7.627 -4.843 5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.251 -6.459 7.010 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.341 -5.172 8.197 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.912 -4.727 7.893 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.824 -6.020 6.713 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.565 -7.652 8.438 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.672 -6.362 9.619 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.141 -7.241 8.171 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.548 -7.612 9.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.105 -5.781 9.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.644 -5.127 10.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.924 -4.956 8.668 1.00 0.00 H new ATOM 336 N VAL A 24 6.257 -2.896 6.048 1.00 0.00 N ATOM 337 CA VAL A 24 5.561 -1.645 6.324 1.00 0.00 C ATOM 338 C VAL A 24 4.076 -1.888 6.583 1.00 0.00 C ATOM 339 O VAL A 24 3.384 -2.511 5.778 1.00 0.00 O ATOM 340 CB VAL A 24 5.718 -0.642 5.163 1.00 0.00 C ATOM 341 CG1 VAL A 24 7.183 -0.291 4.954 1.00 0.00 C ATOM 342 CG2 VAL A 24 5.113 -1.196 3.880 1.00 0.00 C ATOM 0 H VAL A 24 5.738 -3.548 5.461 1.00 0.00 H new ATOM 0 HA VAL A 24 6.017 -1.220 7.218 1.00 0.00 H new ATOM 0 HB VAL A 24 5.179 0.268 5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.273 0.418 4.131 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.583 0.157 5.864 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.744 -1.195 4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.237 -0.470 3.076 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.617 -2.124 3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.052 -1.391 4.033 1.00 0.00 H new ATOM 352 N THR A 25 3.595 -1.390 7.717 1.00 0.00 N ATOM 353 CA THR A 25 2.196 -1.548 8.087 1.00 0.00 C ATOM 354 C THR A 25 1.337 -0.476 7.424 1.00 0.00 C ATOM 355 O THR A 25 1.100 0.587 8.000 1.00 0.00 O ATOM 356 CB THR A 25 2.006 -1.480 9.615 1.00 0.00 C ATOM 357 OG1 THR A 25 2.825 -2.468 10.253 1.00 0.00 O ATOM 358 CG2 THR A 25 0.549 -1.707 9.992 1.00 0.00 C ATOM 0 H THR A 25 4.155 -0.873 8.395 1.00 0.00 H new ATOM 0 HA THR A 25 1.880 -2.532 7.739 1.00 0.00 H new ATOM 0 HB THR A 25 2.302 -0.486 9.951 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.701 -2.418 11.224 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.441 -1.654 11.075 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.071 -0.940 9.528 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.232 -2.690 9.643 1.00 0.00 H new ATOM 366 N ILE A 26 0.875 -0.761 6.210 1.00 0.00 N ATOM 367 CA ILE A 26 0.042 0.179 5.470 1.00 0.00 C ATOM 368 C ILE A 26 -1.173 0.590 6.295 1.00 0.00 C ATOM 369 O ILE A 26 -1.841 -0.252 6.895 1.00 0.00 O ATOM 370 CB ILE A 26 -0.428 -0.421 4.128 1.00 0.00 C ATOM 371 CG1 ILE A 26 0.777 -0.806 3.263 1.00 0.00 C ATOM 372 CG2 ILE A 26 -1.328 0.561 3.389 1.00 0.00 C ATOM 373 CD1 ILE A 26 1.680 0.359 2.916 1.00 0.00 C ATOM 0 H ILE A 26 1.064 -1.635 5.719 1.00 0.00 H new ATOM 0 HA ILE A 26 0.652 1.059 5.264 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.004 -1.323 4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.361 -1.562 3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.419 -1.263 2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.649 0.121 2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.202 0.785 4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.778 1.481 3.191 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.509 0.006 2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.112 1.107 2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.069 0.803 3.832 1.00 0.00 H new ATOM 385 N ARG A 27 -1.447 1.890 6.325 1.00 0.00 N ATOM 386 CA ARG A 27 -2.577 2.418 7.084 1.00 0.00 C ATOM 387 C ARG A 27 -3.273 3.537 6.315 1.00 0.00 C ATOM 388 O ARG A 27 -2.621 4.397 5.724 1.00 0.00 O ATOM 389 CB ARG A 27 -2.107 2.938 8.445 1.00 0.00 C ATOM 390 CG ARG A 27 -1.520 1.861 9.345 1.00 0.00 C ATOM 391 CD ARG A 27 -2.566 0.825 9.730 1.00 0.00 C ATOM 392 NE ARG A 27 -3.700 1.422 10.433 1.00 0.00 N ATOM 393 CZ ARG A 27 -3.608 2.024 11.616 1.00 0.00 C ATOM 394 NH1 ARG A 27 -2.441 2.092 12.246 1.00 0.00 N ATOM 395 NH2 ARG A 27 -4.687 2.556 12.175 1.00 0.00 N ATOM 0 H ARG A 27 -0.902 2.598 5.833 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.289 1.607 7.238 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.358 3.715 8.288 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.949 3.405 8.955 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.691 1.371 8.834 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.112 2.320 10.246 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.922 0.319 8.832 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.107 0.065 10.363 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.617 1.374 9.990 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.609 1.681 11.823 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.377 2.555 13.153 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.587 2.504 11.698 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.617 3.018 13.082 1.00 0.00 H new ATOM 409 N GLY A 28 -4.602 3.515 6.329 1.00 0.00 N ATOM 410 CA GLY A 28 -5.371 4.528 5.630 1.00 0.00 C ATOM 411 C GLY A 28 -6.838 4.492 6.004 1.00 0.00 C ATOM 412 O GLY A 28 -7.180 4.404 7.184 1.00 0.00 O ATOM 0 H GLY A 28 -5.161 2.812 6.813 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.964 5.513 5.858 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.268 4.382 4.555 1.00 0.00 H new ATOM 416 N GLU A 29 -7.709 4.559 5.001 1.00 0.00 N ATOM 417 CA GLU A 29 -9.149 4.534 5.236 1.00 0.00 C ATOM 418 C GLU A 29 -9.892 3.913 4.054 1.00 0.00 C ATOM 419 O GLU A 29 -9.613 4.228 2.897 1.00 0.00 O ATOM 420 CB GLU A 29 -9.676 5.952 5.484 1.00 0.00 C ATOM 421 CG GLU A 29 -9.087 6.624 6.715 1.00 0.00 C ATOM 422 CD GLU A 29 -9.624 8.025 6.930 1.00 0.00 C ATOM 423 OE1 GLU A 29 -10.852 8.171 7.100 1.00 0.00 O ATOM 424 OE2 GLU A 29 -8.815 8.977 6.928 1.00 0.00 O ATOM 0 H GLU A 29 -7.443 4.631 4.019 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.328 3.921 6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.462 6.566 4.610 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.760 5.913 5.588 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.304 6.017 7.594 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.002 6.666 6.617 1.00 0.00 H new ATOM 431 N ASN A 30 -10.847 3.040 4.364 1.00 0.00 N ATOM 432 CA ASN A 30 -11.657 2.375 3.345 1.00 0.00 C ATOM 433 C ASN A 30 -10.812 1.513 2.406 1.00 0.00 C ATOM 434 O ASN A 30 -11.048 1.492 1.197 1.00 0.00 O ATOM 435 CB ASN A 30 -12.445 3.411 2.540 1.00 0.00 C ATOM 436 CG ASN A 30 -13.396 4.214 3.406 1.00 0.00 C ATOM 437 OD1 ASN A 30 -14.302 3.661 4.030 1.00 0.00 O ATOM 438 ND2 ASN A 30 -13.194 5.526 3.451 1.00 0.00 N ATOM 0 H ASN A 30 -11.081 2.775 5.321 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.349 1.711 3.863 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.749 4.088 2.045 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.010 2.906 1.757 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.802 6.116 4.019 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.431 5.943 2.918 1.00 0.00 H new ATOM 445 N LEU A 31 -9.847 0.787 2.963 1.00 0.00 N ATOM 446 CA LEU A 31 -8.997 -0.093 2.163 1.00 0.00 C ATOM 447 C LEU A 31 -9.693 -1.431 1.922 1.00 0.00 C ATOM 448 O LEU A 31 -9.124 -2.494 2.175 1.00 0.00 O ATOM 449 CB LEU A 31 -7.641 -0.318 2.841 1.00 0.00 C ATOM 450 CG LEU A 31 -6.649 0.844 2.726 1.00 0.00 C ATOM 451 CD1 LEU A 31 -7.181 2.082 3.429 1.00 0.00 C ATOM 452 CD2 LEU A 31 -5.295 0.448 3.297 1.00 0.00 C ATOM 0 H LEU A 31 -9.634 0.789 3.960 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.821 0.393 1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.812 -0.525 3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.183 -1.209 2.412 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.524 1.080 1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.459 2.893 3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.125 2.381 2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.341 1.861 4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.603 1.285 3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.407 0.181 4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.904 -0.407 2.746 1.00 0.00 H new ATOM 464 N GLY A 32 -10.931 -1.366 1.444 1.00 0.00 N ATOM 465 CA GLY A 32 -11.697 -2.572 1.187 1.00 0.00 C ATOM 466 C GLY A 32 -12.235 -3.192 2.462 1.00 0.00 C ATOM 467 O GLY A 32 -11.474 -3.499 3.379 1.00 0.00 O ATOM 0 H GLY A 32 -11.419 -0.497 1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.527 -2.338 0.521 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.068 -3.297 0.670 1.00 0.00 H new ATOM 471 N THR A 33 -13.552 -3.369 2.522 1.00 0.00 N ATOM 472 CA THR A 33 -14.195 -3.951 3.695 1.00 0.00 C ATOM 473 C THR A 33 -14.342 -5.463 3.555 1.00 0.00 C ATOM 474 O THR A 33 -15.382 -6.028 3.893 1.00 0.00 O ATOM 475 CB THR A 33 -15.584 -3.331 3.935 1.00 0.00 C ATOM 476 OG1 THR A 33 -16.445 -3.614 2.826 1.00 0.00 O ATOM 477 CG2 THR A 33 -15.479 -1.826 4.130 1.00 0.00 C ATOM 0 H THR A 33 -14.195 -3.117 1.771 1.00 0.00 H new ATOM 0 HA THR A 33 -13.552 -3.733 4.548 1.00 0.00 H new ATOM 0 HB THR A 33 -16.002 -3.770 4.841 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.327 -3.218 2.987 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.473 -1.411 4.298 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.847 -1.614 4.992 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.042 -1.373 3.240 1.00 0.00 H new ATOM 485 N GLY A 34 -13.297 -6.115 3.055 1.00 0.00 N ATOM 486 CA GLY A 34 -13.341 -7.555 2.881 1.00 0.00 C ATOM 487 C GLY A 34 -12.132 -8.091 2.137 1.00 0.00 C ATOM 488 O GLY A 34 -11.629 -7.440 1.220 1.00 0.00 O ATOM 0 H GLY A 34 -12.423 -5.674 2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.403 -8.033 3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.246 -7.824 2.337 1.00 0.00 H new ATOM 492 N PRO A 35 -11.637 -9.288 2.506 1.00 0.00 N ATOM 493 CA PRO A 35 -10.477 -9.897 1.847 1.00 0.00 C ATOM 494 C PRO A 35 -10.703 -10.067 0.350 1.00 0.00 C ATOM 495 O PRO A 35 -9.841 -9.735 -0.464 1.00 0.00 O ATOM 496 CB PRO A 35 -10.347 -11.267 2.520 1.00 0.00 C ATOM 497 CG PRO A 35 -11.082 -11.144 3.811 1.00 0.00 C ATOM 498 CD PRO A 35 -12.174 -10.138 3.583 1.00 0.00 C ATOM 0 HA PRO A 35 -9.584 -9.280 1.945 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.775 -12.053 1.898 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.301 -11.526 2.686 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.497 -12.105 4.115 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.414 -10.818 4.609 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -13.107 -10.618 3.288 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -12.383 -9.561 4.484 1.00 0.00 H new ATOM 506 N THR A 36 -11.878 -10.581 0.001 1.00 0.00 N ATOM 507 CA THR A 36 -12.241 -10.796 -1.394 1.00 0.00 C ATOM 508 C THR A 36 -12.288 -9.478 -2.160 1.00 0.00 C ATOM 509 O THR A 36 -11.917 -9.418 -3.333 1.00 0.00 O ATOM 510 CB THR A 36 -13.604 -11.502 -1.511 1.00 0.00 C ATOM 511 OG1 THR A 36 -14.008 -11.568 -2.884 1.00 0.00 O ATOM 512 CG2 THR A 36 -14.663 -10.774 -0.695 1.00 0.00 C ATOM 0 H THR A 36 -12.598 -10.857 0.669 1.00 0.00 H new ATOM 0 HA THR A 36 -11.472 -11.433 -1.831 1.00 0.00 H new ATOM 0 HB THR A 36 -13.499 -12.513 -1.118 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.875 -12.020 -2.948 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.617 -11.291 -0.793 1.00 0.00 H new ATOM 0 HG22 THR A 36 -14.366 -10.757 0.354 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.765 -9.752 -1.060 1.00 0.00 H new ATOM 520 N ASP A 37 -12.745 -8.425 -1.487 1.00 0.00 N ATOM 521 CA ASP A 37 -12.842 -7.103 -2.098 1.00 0.00 C ATOM 522 C ASP A 37 -11.506 -6.681 -2.698 1.00 0.00 C ATOM 523 O ASP A 37 -11.449 -6.183 -3.821 1.00 0.00 O ATOM 524 CB ASP A 37 -13.292 -6.072 -1.061 1.00 0.00 C ATOM 525 CG ASP A 37 -14.645 -6.401 -0.458 1.00 0.00 C ATOM 526 OD1 ASP A 37 -15.244 -7.423 -0.859 1.00 0.00 O ATOM 527 OD2 ASP A 37 -15.107 -5.635 0.414 1.00 0.00 O ATOM 0 H ASP A 37 -13.055 -8.462 -0.516 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.581 -7.154 -2.898 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.549 -6.014 -0.266 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -13.336 -5.088 -1.528 1.00 0.00 H new ATOM 532 N LEU A 38 -10.430 -6.882 -1.943 1.00 0.00 N ATOM 533 CA LEU A 38 -9.099 -6.519 -2.412 1.00 0.00 C ATOM 534 C LEU A 38 -8.679 -7.436 -3.558 1.00 0.00 C ATOM 535 O LEU A 38 -8.784 -8.659 -3.457 1.00 0.00 O ATOM 536 CB LEU A 38 -8.087 -6.611 -1.263 1.00 0.00 C ATOM 537 CG LEU A 38 -6.905 -5.633 -1.336 1.00 0.00 C ATOM 538 CD1 LEU A 38 -5.981 -5.831 -0.147 1.00 0.00 C ATOM 539 CD2 LEU A 38 -6.132 -5.795 -2.636 1.00 0.00 C ATOM 0 H LEU A 38 -10.454 -7.292 -1.009 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.123 -5.491 -2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.615 -6.444 -0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.693 -7.627 -1.231 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.307 -4.620 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.148 -5.131 -0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.533 -5.653 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.598 -6.852 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.302 -5.089 -2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.745 -6.812 -2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.794 -5.601 -3.480 1.00 0.00 H new ATOM 551 N ILE A 39 -8.198 -6.838 -4.642 1.00 0.00 N ATOM 552 CA ILE A 39 -7.755 -7.601 -5.804 1.00 0.00 C ATOM 553 C ILE A 39 -6.465 -7.019 -6.367 1.00 0.00 C ATOM 554 O ILE A 39 -5.531 -7.752 -6.689 1.00 0.00 O ATOM 555 CB ILE A 39 -8.827 -7.628 -6.913 1.00 0.00 C ATOM 556 CG1 ILE A 39 -9.233 -6.203 -7.307 1.00 0.00 C ATOM 557 CG2 ILE A 39 -10.037 -8.430 -6.457 1.00 0.00 C ATOM 558 CD1 ILE A 39 -10.234 -6.143 -8.442 1.00 0.00 C ATOM 0 H ILE A 39 -8.105 -5.827 -4.741 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.580 -8.623 -5.468 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.405 -8.113 -7.793 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.655 -5.702 -6.436 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.340 -5.647 -7.593 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.786 -8.441 -7.249 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.732 -9.452 -6.232 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.461 -7.972 -5.563 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.472 -5.102 -8.663 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.808 -6.614 -9.328 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.144 -6.669 -8.153 1.00 0.00 H new ATOM 570 N GLY A 40 -6.420 -5.697 -6.474 1.00 0.00 N ATOM 571 CA GLY A 40 -5.238 -5.034 -6.987 1.00 0.00 C ATOM 572 C GLY A 40 -4.430 -4.375 -5.890 1.00 0.00 C ATOM 573 O GLY A 40 -4.988 -3.717 -5.011 1.00 0.00 O ATOM 0 H GLY A 40 -7.183 -5.072 -6.214 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.614 -5.760 -7.509 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.534 -4.283 -7.719 1.00 0.00 H new ATOM 577 N LEU A 41 -3.114 -4.545 -5.939 1.00 0.00 N ATOM 578 CA LEU A 41 -2.234 -3.954 -4.938 1.00 0.00 C ATOM 579 C LEU A 41 -0.907 -3.563 -5.579 1.00 0.00 C ATOM 580 O LEU A 41 -0.206 -4.408 -6.136 1.00 0.00 O ATOM 581 CB LEU A 41 -1.993 -4.945 -3.794 1.00 0.00 C ATOM 582 CG LEU A 41 -1.822 -4.325 -2.400 1.00 0.00 C ATOM 583 CD1 LEU A 41 -0.693 -3.307 -2.384 1.00 0.00 C ATOM 584 CD2 LEU A 41 -3.123 -3.686 -1.940 1.00 0.00 C ATOM 0 H LEU A 41 -2.634 -5.085 -6.659 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.710 -3.061 -4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.829 -5.643 -3.761 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.101 -5.527 -4.024 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.561 -5.124 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.597 -2.886 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.241 -3.795 -2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.912 -2.509 -3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.985 -3.251 -0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.413 -2.904 -2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.905 -4.444 -1.897 1.00 0.00 H new ATOM 596 N THR A 42 -0.570 -2.278 -5.500 1.00 0.00 N ATOM 597 CA THR A 42 0.669 -1.769 -6.080 1.00 0.00 C ATOM 598 C THR A 42 1.151 -0.525 -5.344 1.00 0.00 C ATOM 599 O THR A 42 0.368 0.384 -5.068 1.00 0.00 O ATOM 600 CB THR A 42 0.491 -1.405 -7.569 1.00 0.00 C ATOM 601 OG1 THR A 42 -0.638 -0.538 -7.730 1.00 0.00 O ATOM 602 CG2 THR A 42 0.311 -2.646 -8.429 1.00 0.00 C ATOM 0 H THR A 42 -1.140 -1.569 -5.039 1.00 0.00 H new ATOM 0 HA THR A 42 1.404 -2.568 -5.984 1.00 0.00 H new ATOM 0 HB THR A 42 1.396 -0.894 -7.897 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.743 -0.310 -8.677 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.188 -2.352 -9.471 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.189 -3.285 -8.333 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.573 -3.192 -8.100 1.00 0.00 H new ATOM 610 N ILE A 43 2.444 -0.480 -5.046 1.00 0.00 N ATOM 611 CA ILE A 43 3.023 0.668 -4.363 1.00 0.00 C ATOM 612 C ILE A 43 3.830 1.505 -5.343 1.00 0.00 C ATOM 613 O ILE A 43 4.872 1.067 -5.832 1.00 0.00 O ATOM 614 CB ILE A 43 3.921 0.237 -3.187 1.00 0.00 C ATOM 615 CG1 ILE A 43 3.106 -0.565 -2.171 1.00 0.00 C ATOM 616 CG2 ILE A 43 4.554 1.456 -2.527 1.00 0.00 C ATOM 617 CD1 ILE A 43 3.929 -1.111 -1.026 1.00 0.00 C ATOM 0 H ILE A 43 3.108 -1.222 -5.266 1.00 0.00 H new ATOM 0 HA ILE A 43 2.202 1.262 -3.961 1.00 0.00 H new ATOM 0 HB ILE A 43 4.721 -0.397 -3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.317 0.070 -1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.618 -1.394 -2.683 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.185 1.135 -1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.160 1.992 -3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.771 2.115 -2.152 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.283 -1.668 -0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.702 -1.773 -1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.396 -0.286 -0.488 1.00 0.00 H new ATOM 629 N CYS A 44 3.324 2.702 -5.634 1.00 0.00 N ATOM 630 CA CYS A 44 3.966 3.620 -6.573 1.00 0.00 C ATOM 631 C CYS A 44 3.776 3.142 -8.014 1.00 0.00 C ATOM 632 O CYS A 44 3.581 3.949 -8.922 1.00 0.00 O ATOM 633 CB CYS A 44 5.457 3.777 -6.266 1.00 0.00 C ATOM 634 SG CYS A 44 6.264 5.087 -7.213 1.00 0.00 S ATOM 0 H CYS A 44 2.461 3.062 -5.227 1.00 0.00 H new ATOM 0 HA CYS A 44 3.489 4.593 -6.458 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.580 3.982 -5.203 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.961 2.832 -6.468 1.00 0.00 H new ATOM 0 HG CYS A 44 7.521 5.148 -6.886 1.00 0.00 H new ATOM 640 N GLY A 45 3.835 1.825 -8.214 1.00 0.00 N ATOM 641 CA GLY A 45 3.670 1.264 -9.541 1.00 0.00 C ATOM 642 C GLY A 45 3.965 -0.224 -9.584 1.00 0.00 C ATOM 643 O GLY A 45 3.369 -0.960 -10.370 1.00 0.00 O ATOM 0 H GLY A 45 3.995 1.138 -7.477 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.649 1.439 -9.881 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.331 1.782 -10.236 1.00 0.00 H new ATOM 647 N HIS A 46 4.898 -0.665 -8.744 1.00 0.00 N ATOM 648 CA HIS A 46 5.286 -2.071 -8.694 1.00 0.00 C ATOM 649 C HIS A 46 4.211 -2.924 -8.022 1.00 0.00 C ATOM 650 O HIS A 46 3.665 -2.551 -6.983 1.00 0.00 O ATOM 651 CB HIS A 46 6.612 -2.223 -7.945 1.00 0.00 C ATOM 652 CG HIS A 46 7.133 -3.627 -7.925 1.00 0.00 C ATOM 653 ND1 HIS A 46 7.475 -4.319 -9.068 1.00 0.00 N ATOM 654 CD2 HIS A 46 7.370 -4.469 -6.892 1.00 0.00 C ATOM 655 CE1 HIS A 46 7.898 -5.527 -8.739 1.00 0.00 C ATOM 656 NE2 HIS A 46 7.845 -5.642 -7.425 1.00 0.00 N ATOM 0 H HIS A 46 5.400 -0.067 -8.088 1.00 0.00 H new ATOM 0 HA HIS A 46 5.404 -2.421 -9.719 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.357 -1.575 -8.407 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.482 -1.878 -6.919 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.215 -4.258 -5.844 1.00 0.00 H new ATOM 0 HE1 HIS A 46 8.230 -6.290 -9.428 1.00 0.00 H new ATOM 0 HE2 HIS A 46 8.114 -6.469 -6.892 1.00 0.00 H new ATOM 665 N ASN A 47 3.919 -4.075 -8.623 1.00 0.00 N ATOM 666 CA ASN A 47 2.918 -4.994 -8.087 1.00 0.00 C ATOM 667 C ASN A 47 3.427 -5.671 -6.816 1.00 0.00 C ATOM 668 O ASN A 47 4.588 -6.073 -6.741 1.00 0.00 O ATOM 669 CB ASN A 47 2.553 -6.052 -9.131 1.00 0.00 C ATOM 670 CG ASN A 47 1.535 -7.050 -8.614 1.00 0.00 C ATOM 671 OD1 ASN A 47 0.427 -6.680 -8.227 1.00 0.00 O ATOM 672 ND2 ASN A 47 1.907 -8.325 -8.608 1.00 0.00 N ATOM 0 H ASN A 47 4.363 -4.394 -9.484 1.00 0.00 H new ATOM 0 HA ASN A 47 2.027 -4.417 -7.839 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.156 -5.560 -10.019 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.455 -6.583 -9.437 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.264 -9.042 -8.273 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.836 -8.587 -8.938 1.00 0.00 H new ATOM 679 N CYS A 48 2.551 -5.796 -5.821 1.00 0.00 N ATOM 680 CA CYS A 48 2.915 -6.425 -4.553 1.00 0.00 C ATOM 681 C CYS A 48 1.697 -7.062 -3.890 1.00 0.00 C ATOM 682 O CYS A 48 1.527 -6.981 -2.673 1.00 0.00 O ATOM 683 CB CYS A 48 3.533 -5.394 -3.604 1.00 0.00 C ATOM 684 SG CYS A 48 5.057 -4.637 -4.216 1.00 0.00 S ATOM 0 H CYS A 48 1.585 -5.471 -5.868 1.00 0.00 H new ATOM 0 HA CYS A 48 3.647 -7.205 -4.765 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.802 -4.608 -3.414 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.739 -5.875 -2.648 1.00 0.00 H new ATOM 0 HG CYS A 48 5.369 -5.158 -5.365 1.00 0.00 H new ATOM 690 N LEU A 49 0.852 -7.697 -4.695 1.00 0.00 N ATOM 691 CA LEU A 49 -0.351 -8.347 -4.184 1.00 0.00 C ATOM 692 C LEU A 49 -0.010 -9.644 -3.455 1.00 0.00 C ATOM 693 O LEU A 49 -0.547 -9.922 -2.382 1.00 0.00 O ATOM 694 CB LEU A 49 -1.328 -8.635 -5.327 1.00 0.00 C ATOM 695 CG LEU A 49 -2.617 -9.351 -4.912 1.00 0.00 C ATOM 696 CD1 LEU A 49 -3.460 -8.462 -4.011 1.00 0.00 C ATOM 697 CD2 LEU A 49 -3.407 -9.778 -6.139 1.00 0.00 C ATOM 0 H LEU A 49 0.977 -7.776 -5.704 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.821 -7.667 -3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.592 -7.692 -5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.819 -9.241 -6.076 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.348 -10.245 -4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.371 -8.990 -3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.893 -8.210 -3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.721 -7.548 -4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.320 -10.285 -5.826 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.665 -8.899 -6.730 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.804 -10.456 -6.742 1.00 0.00 H new ATOM 709 N LEU A 50 0.873 -10.439 -4.053 1.00 0.00 N ATOM 710 CA LEU A 50 1.279 -11.718 -3.474 1.00 0.00 C ATOM 711 C LEU A 50 1.700 -11.563 -2.014 1.00 0.00 C ATOM 712 O LEU A 50 1.344 -12.383 -1.167 1.00 0.00 O ATOM 713 CB LEU A 50 2.424 -12.344 -4.283 1.00 0.00 C ATOM 714 CG LEU A 50 3.765 -11.601 -4.236 1.00 0.00 C ATOM 715 CD1 LEU A 50 4.867 -12.466 -4.827 1.00 0.00 C ATOM 716 CD2 LEU A 50 3.685 -10.278 -4.985 1.00 0.00 C ATOM 0 H LEU A 50 1.323 -10.220 -4.942 1.00 0.00 H new ATOM 0 HA LEU A 50 0.414 -12.380 -3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.582 -13.361 -3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.109 -12.418 -5.324 1.00 0.00 H new ATOM 0 HG LEU A 50 3.997 -11.390 -3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.813 -11.927 -4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.951 -13.389 -4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.627 -12.703 -5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.650 -9.773 -4.935 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.427 -10.465 -6.027 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.921 -9.648 -4.529 1.00 0.00 H new ATOM 728 N THR A 51 2.457 -10.511 -1.724 1.00 0.00 N ATOM 729 CA THR A 51 2.920 -10.256 -0.365 1.00 0.00 C ATOM 730 C THR A 51 1.831 -9.597 0.474 1.00 0.00 C ATOM 731 O THR A 51 1.718 -9.853 1.674 1.00 0.00 O ATOM 732 CB THR A 51 4.178 -9.364 -0.354 1.00 0.00 C ATOM 733 OG1 THR A 51 3.914 -8.136 -1.045 1.00 0.00 O ATOM 734 CG2 THR A 51 5.358 -10.075 -1.000 1.00 0.00 C ATOM 0 H THR A 51 2.763 -9.822 -2.411 1.00 0.00 H new ATOM 0 HA THR A 51 3.170 -11.224 0.069 1.00 0.00 H new ATOM 0 HB THR A 51 4.433 -9.149 0.684 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.717 -7.574 -1.032 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.231 -9.423 -0.979 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.575 -10.991 -0.451 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.114 -10.320 -2.034 1.00 0.00 H new ATOM 742 N ALA A 52 1.037 -8.742 -0.163 1.00 0.00 N ATOM 743 CA ALA A 52 -0.040 -8.034 0.520 1.00 0.00 C ATOM 744 C ALA A 52 -1.044 -8.994 1.152 1.00 0.00 C ATOM 745 O ALA A 52 -1.523 -9.927 0.505 1.00 0.00 O ATOM 746 CB ALA A 52 -0.745 -7.094 -0.446 1.00 0.00 C ATOM 0 H ALA A 52 1.120 -8.522 -1.156 1.00 0.00 H new ATOM 0 HA ALA A 52 0.408 -7.453 1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.547 -6.571 0.075 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.030 -6.368 -0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.164 -7.668 -1.272 1.00 0.00 H new ATOM 752 N GLU A 53 -1.362 -8.747 2.420 1.00 0.00 N ATOM 753 CA GLU A 53 -2.317 -9.571 3.154 1.00 0.00 C ATOM 754 C GLU A 53 -3.405 -8.697 3.775 1.00 0.00 C ATOM 755 O GLU A 53 -3.108 -7.702 4.437 1.00 0.00 O ATOM 756 CB GLU A 53 -1.601 -10.374 4.242 1.00 0.00 C ATOM 757 CG GLU A 53 -2.521 -11.295 5.028 1.00 0.00 C ATOM 758 CD GLU A 53 -3.177 -12.346 4.155 1.00 0.00 C ATOM 759 OE1 GLU A 53 -2.443 -13.144 3.533 1.00 0.00 O ATOM 760 OE2 GLU A 53 -4.424 -12.374 4.093 1.00 0.00 O ATOM 0 H GLU A 53 -0.969 -7.978 2.963 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.783 -10.266 2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.812 -10.969 3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.117 -9.683 4.932 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.950 -11.787 5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.293 -10.701 5.517 1.00 0.00 H new ATOM 767 N TRP A 54 -4.661 -9.070 3.556 1.00 0.00 N ATOM 768 CA TRP A 54 -5.787 -8.312 4.092 1.00 0.00 C ATOM 769 C TRP A 54 -5.923 -8.522 5.598 1.00 0.00 C ATOM 770 O TRP A 54 -5.606 -9.594 6.115 1.00 0.00 O ATOM 771 CB TRP A 54 -7.087 -8.722 3.403 1.00 0.00 C ATOM 772 CG TRP A 54 -8.227 -7.796 3.700 1.00 0.00 C ATOM 773 CD1 TRP A 54 -8.540 -6.644 3.036 1.00 0.00 C ATOM 774 CD2 TRP A 54 -9.188 -7.926 4.753 1.00 0.00 C ATOM 775 NE1 TRP A 54 -9.649 -6.061 3.599 1.00 0.00 N ATOM 776 CE2 TRP A 54 -10.065 -6.828 4.656 1.00 0.00 C ATOM 777 CE3 TRP A 54 -9.399 -8.868 5.762 1.00 0.00 C ATOM 778 CZ2 TRP A 54 -11.131 -6.646 5.532 1.00 0.00 C ATOM 779 CZ3 TRP A 54 -10.458 -8.686 6.632 1.00 0.00 C ATOM 780 CH2 TRP A 54 -11.313 -7.584 6.511 1.00 0.00 C ATOM 0 H TRP A 54 -4.925 -9.891 3.012 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.595 -7.256 3.900 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -6.925 -8.756 2.326 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -7.355 -9.731 3.717 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -7.995 -6.249 2.191 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -10.091 -5.198 3.282 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -8.747 -9.723 5.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.790 -5.795 5.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -10.629 -9.406 7.418 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -12.133 -7.472 7.205 1.00 0.00 H new ATOM 791 N MET A 55 -6.403 -7.494 6.294 1.00 0.00 N ATOM 792 CA MET A 55 -6.589 -7.568 7.741 1.00 0.00 C ATOM 793 C MET A 55 -7.765 -6.707 8.194 1.00 0.00 C ATOM 794 O MET A 55 -8.576 -7.135 9.015 1.00 0.00 O ATOM 795 CB MET A 55 -5.320 -7.139 8.474 1.00 0.00 C ATOM 796 CG MET A 55 -4.207 -8.169 8.400 1.00 0.00 C ATOM 797 SD MET A 55 -2.768 -7.709 9.378 1.00 0.00 S ATOM 798 CE MET A 55 -1.803 -9.211 9.251 1.00 0.00 C ATOM 0 H MET A 55 -6.670 -6.601 5.880 1.00 0.00 H new ATOM 0 HA MET A 55 -6.807 -8.607 7.989 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.965 -6.199 8.051 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.560 -6.948 9.520 1.00 0.00 H new ATOM 0 HG2 MET A 55 -4.584 -9.131 8.747 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.908 -8.300 7.360 1.00 0.00 H new ATOM 0 HE1 MET A 55 -0.897 -9.113 9.849 1.00 0.00 H new ATOM 0 HE2 MET A 55 -2.391 -10.053 9.617 1.00 0.00 H new ATOM 0 HE3 MET A 55 -1.533 -9.383 8.209 1.00 0.00 H new ATOM 808 N SER A 56 -7.855 -5.492 7.658 1.00 0.00 N ATOM 809 CA SER A 56 -8.934 -4.579 8.016 1.00 0.00 C ATOM 810 C SER A 56 -9.097 -3.491 6.962 1.00 0.00 C ATOM 811 O SER A 56 -8.262 -3.351 6.068 1.00 0.00 O ATOM 812 CB SER A 56 -8.663 -3.940 9.381 1.00 0.00 C ATOM 813 OG SER A 56 -8.594 -4.919 10.402 1.00 0.00 O ATOM 0 H SER A 56 -7.195 -5.119 6.976 1.00 0.00 H new ATOM 0 HA SER A 56 -9.858 -5.155 8.068 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.727 -3.383 9.345 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.452 -3.224 9.613 1.00 0.00 H new ATOM 0 HG SER A 56 -8.957 -5.766 10.068 1.00 0.00 H new ATOM 819 N ALA A 57 -10.179 -2.723 7.072 1.00 0.00 N ATOM 820 CA ALA A 57 -10.453 -1.645 6.128 1.00 0.00 C ATOM 821 C ALA A 57 -9.543 -0.443 6.377 1.00 0.00 C ATOM 822 O ALA A 57 -9.940 0.703 6.158 1.00 0.00 O ATOM 823 CB ALA A 57 -11.914 -1.230 6.219 1.00 0.00 C ATOM 0 H ALA A 57 -10.879 -2.828 7.806 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.249 -2.015 5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.108 -0.425 5.510 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.550 -2.083 5.982 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.132 -0.884 7.230 1.00 0.00 H new ATOM 829 N SER A 58 -8.319 -0.715 6.826 1.00 0.00 N ATOM 830 CA SER A 58 -7.342 0.333 7.099 1.00 0.00 C ATOM 831 C SER A 58 -6.018 -0.274 7.549 1.00 0.00 C ATOM 832 O SER A 58 -5.312 0.298 8.379 1.00 0.00 O ATOM 833 CB SER A 58 -7.866 1.286 8.176 1.00 0.00 C ATOM 834 OG SER A 58 -8.125 0.596 9.386 1.00 0.00 O ATOM 0 H SER A 58 -7.980 -1.660 7.009 1.00 0.00 H new ATOM 0 HA SER A 58 -7.179 0.893 6.178 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.136 2.076 8.353 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.779 1.768 7.826 1.00 0.00 H new ATOM 0 HG SER A 58 -8.457 1.227 10.058 1.00 0.00 H new ATOM 840 N LYS A 59 -5.686 -1.436 6.992 1.00 0.00 N ATOM 841 CA LYS A 59 -4.444 -2.119 7.334 1.00 0.00 C ATOM 842 C LYS A 59 -4.121 -3.201 6.309 1.00 0.00 C ATOM 843 O LYS A 59 -4.976 -4.018 5.967 1.00 0.00 O ATOM 844 CB LYS A 59 -4.546 -2.739 8.731 1.00 0.00 C ATOM 845 CG LYS A 59 -3.272 -3.439 9.180 1.00 0.00 C ATOM 846 CD LYS A 59 -3.433 -4.083 10.551 1.00 0.00 C ATOM 847 CE LYS A 59 -3.690 -3.045 11.635 1.00 0.00 C ATOM 848 NZ LYS A 59 -3.853 -3.672 12.976 1.00 0.00 N ATOM 0 H LYS A 59 -6.260 -1.923 6.303 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.639 -1.384 7.328 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.794 -1.957 9.449 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.368 -3.455 8.743 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.000 -4.201 8.450 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.453 -2.720 9.210 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.259 -4.793 10.524 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.534 -4.649 10.795 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.862 -2.337 11.663 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.587 -2.477 11.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.026 -2.932 13.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.659 -4.329 12.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.988 -4.193 13.223 1.00 0.00 H new ATOM 862 N ILE A 60 -2.881 -3.203 5.827 1.00 0.00 N ATOM 863 CA ILE A 60 -2.438 -4.187 4.843 1.00 0.00 C ATOM 864 C ILE A 60 -0.948 -4.471 4.992 1.00 0.00 C ATOM 865 O ILE A 60 -0.118 -3.578 4.820 1.00 0.00 O ATOM 866 CB ILE A 60 -2.691 -3.709 3.395 1.00 0.00 C ATOM 867 CG1 ILE A 60 -4.181 -3.460 3.148 1.00 0.00 C ATOM 868 CG2 ILE A 60 -2.152 -4.730 2.400 1.00 0.00 C ATOM 869 CD1 ILE A 60 -4.485 -2.937 1.759 1.00 0.00 C ATOM 0 H ILE A 60 -2.163 -2.532 6.103 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.017 -5.091 5.031 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.164 -2.765 3.253 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.727 -4.390 3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.549 -2.746 3.885 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.337 -4.381 1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.080 -4.855 2.551 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.653 -5.686 2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.559 -2.784 1.655 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.967 -1.991 1.605 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.148 -3.660 1.016 1.00 0.00 H new ATOM 881 N VAL A 61 -0.610 -5.722 5.287 1.00 0.00 N ATOM 882 CA VAL A 61 0.784 -6.119 5.428 1.00 0.00 C ATOM 883 C VAL A 61 1.378 -6.427 4.060 1.00 0.00 C ATOM 884 O VAL A 61 0.834 -7.236 3.311 1.00 0.00 O ATOM 885 CB VAL A 61 0.934 -7.352 6.340 1.00 0.00 C ATOM 886 CG1 VAL A 61 2.396 -7.758 6.462 1.00 0.00 C ATOM 887 CG2 VAL A 61 0.335 -7.076 7.709 1.00 0.00 C ATOM 0 H VAL A 61 -1.281 -6.476 5.433 1.00 0.00 H new ATOM 0 HA VAL A 61 1.319 -5.288 5.887 1.00 0.00 H new ATOM 0 HB VAL A 61 0.390 -8.182 5.888 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.478 -8.630 7.110 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.790 -8.001 5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.968 -6.934 6.888 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.449 -7.957 8.341 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.849 -6.231 8.168 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.724 -6.841 7.602 1.00 0.00 H new ATOM 897 N CYS A 62 2.484 -5.771 3.733 1.00 0.00 N ATOM 898 CA CYS A 62 3.131 -5.974 2.442 1.00 0.00 C ATOM 899 C CYS A 62 4.492 -5.295 2.401 1.00 0.00 C ATOM 900 O CYS A 62 4.698 -4.256 3.029 1.00 0.00 O ATOM 901 CB CYS A 62 2.250 -5.425 1.318 1.00 0.00 C ATOM 902 SG CYS A 62 1.956 -3.643 1.415 1.00 0.00 S ATOM 0 H CYS A 62 2.950 -5.097 4.340 1.00 0.00 H new ATOM 0 HA CYS A 62 3.273 -7.046 2.302 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.717 -5.654 0.360 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.291 -5.942 1.337 1.00 0.00 H new ATOM 0 HG CYS A 62 2.897 -3.086 2.118 1.00 0.00 H new ATOM 908 N ARG A 63 5.418 -5.883 1.651 1.00 0.00 N ATOM 909 CA ARG A 63 6.755 -5.324 1.524 1.00 0.00 C ATOM 910 C ARG A 63 6.773 -4.247 0.445 1.00 0.00 C ATOM 911 O ARG A 63 6.267 -4.454 -0.657 1.00 0.00 O ATOM 912 CB ARG A 63 7.764 -6.426 1.192 1.00 0.00 C ATOM 913 CG ARG A 63 7.786 -7.559 2.209 1.00 0.00 C ATOM 914 CD ARG A 63 8.090 -7.049 3.610 1.00 0.00 C ATOM 915 NE ARG A 63 8.175 -8.133 4.587 1.00 0.00 N ATOM 916 CZ ARG A 63 7.158 -8.934 4.898 1.00 0.00 C ATOM 917 NH1 ARG A 63 5.972 -8.768 4.324 1.00 0.00 N ATOM 918 NH2 ARG A 63 7.324 -9.900 5.792 1.00 0.00 N ATOM 0 H ARG A 63 5.266 -6.743 1.124 1.00 0.00 H new ATOM 0 HA ARG A 63 7.037 -4.872 2.475 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.532 -6.836 0.209 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.760 -5.988 1.127 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.822 -8.068 2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.536 -8.295 1.918 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.031 -6.499 3.598 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.314 -6.347 3.915 1.00 0.00 H new ATOM 0 HE ARG A 63 9.067 -8.285 5.059 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.836 -8.023 3.640 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.197 -9.385 4.567 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.231 -10.029 6.241 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.545 -10.514 6.030 1.00 0.00 H new ATOM 932 N VAL A 64 7.344 -3.094 0.777 1.00 0.00 N ATOM 933 CA VAL A 64 7.412 -1.976 -0.155 1.00 0.00 C ATOM 934 C VAL A 64 8.064 -2.368 -1.475 1.00 0.00 C ATOM 935 O VAL A 64 9.157 -2.931 -1.503 1.00 0.00 O ATOM 936 CB VAL A 64 8.171 -0.784 0.457 1.00 0.00 C ATOM 937 CG1 VAL A 64 7.324 -0.114 1.525 1.00 0.00 C ATOM 938 CG2 VAL A 64 9.499 -1.237 1.041 1.00 0.00 C ATOM 0 H VAL A 64 7.767 -2.910 1.687 1.00 0.00 H new ATOM 0 HA VAL A 64 6.382 -1.681 -0.356 1.00 0.00 H new ATOM 0 HB VAL A 64 8.373 -0.061 -0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.872 0.727 1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.396 0.245 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.096 -0.833 2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.020 -0.380 1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.320 -1.978 1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.111 -1.678 0.254 1.00 0.00 H new ATOM 1052 N GLY A 72 6.351 7.919 -4.857 1.00 0.00 N ATOM 1053 CA GLY A 72 6.156 6.661 -4.158 1.00 0.00 C ATOM 1054 C GLY A 72 4.799 6.572 -3.489 1.00 0.00 C ATOM 1055 O GLY A 72 4.680 6.046 -2.382 1.00 0.00 O ATOM 0 HA2 GLY A 72 6.264 5.837 -4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.936 6.542 -3.406 1.00 0.00 H new ATOM 1059 N ASP A 73 3.775 7.087 -4.160 1.00 0.00 N ATOM 1060 CA ASP A 73 2.419 7.064 -3.625 1.00 0.00 C ATOM 1061 C ASP A 73 1.895 5.635 -3.528 1.00 0.00 C ATOM 1062 O ASP A 73 2.117 4.822 -4.424 1.00 0.00 O ATOM 1063 CB ASP A 73 1.488 7.902 -4.505 1.00 0.00 C ATOM 1064 CG ASP A 73 1.942 9.344 -4.615 1.00 0.00 C ATOM 1065 OD1 ASP A 73 2.037 10.018 -3.568 1.00 0.00 O ATOM 1066 OD2 ASP A 73 2.202 9.799 -5.748 1.00 0.00 O ATOM 0 H ASP A 73 3.858 7.526 -5.077 1.00 0.00 H new ATOM 0 HA ASP A 73 2.444 7.491 -2.622 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.440 7.462 -5.501 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.479 7.872 -4.094 1.00 0.00 H new ATOM 1071 N ILE A 74 1.195 5.336 -2.437 1.00 0.00 N ATOM 1072 CA ILE A 74 0.638 4.004 -2.230 1.00 0.00 C ATOM 1073 C ILE A 74 -0.707 3.870 -2.935 1.00 0.00 C ATOM 1074 O ILE A 74 -1.545 4.769 -2.870 1.00 0.00 O ATOM 1075 CB ILE A 74 0.464 3.701 -0.727 1.00 0.00 C ATOM 1076 CG1 ILE A 74 1.811 3.819 -0.007 1.00 0.00 C ATOM 1077 CG2 ILE A 74 -0.132 2.312 -0.533 1.00 0.00 C ATOM 1078 CD1 ILE A 74 1.721 3.641 1.495 1.00 0.00 C ATOM 0 H ILE A 74 1.001 5.997 -1.685 1.00 0.00 H new ATOM 0 HA ILE A 74 1.339 3.285 -2.653 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.223 4.430 -0.297 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.495 3.073 -0.411 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.243 4.796 -0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.249 2.112 0.532 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.106 2.262 -1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.532 1.567 -0.971 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.714 3.738 1.933 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.064 4.404 1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.320 2.653 1.721 1.00 0.00 H new ATOM 1090 N ILE A 75 -0.905 2.750 -3.625 1.00 0.00 N ATOM 1091 CA ILE A 75 -2.145 2.518 -4.357 1.00 0.00 C ATOM 1092 C ILE A 75 -2.761 1.166 -4.010 1.00 0.00 C ATOM 1093 O ILE A 75 -2.060 0.158 -3.912 1.00 0.00 O ATOM 1094 CB ILE A 75 -1.909 2.582 -5.880 1.00 0.00 C ATOM 1095 CG1 ILE A 75 -1.261 3.918 -6.264 1.00 0.00 C ATOM 1096 CG2 ILE A 75 -3.218 2.384 -6.630 1.00 0.00 C ATOM 1097 CD1 ILE A 75 -2.109 5.128 -5.929 1.00 0.00 C ATOM 0 H ILE A 75 -0.225 1.992 -3.692 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.835 3.308 -4.060 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.229 1.777 -6.161 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.302 4.006 -5.754 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.054 3.916 -7.334 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.033 2.432 -7.703 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.638 1.411 -6.377 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.921 3.167 -6.347 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.584 6.035 -6.230 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.059 5.065 -6.460 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.295 5.156 -4.855 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.080 1.152 -3.834 1.00 0.00 N ATOM 1110 CA VAL A 76 -4.801 -0.075 -3.509 1.00 0.00 C ATOM 1111 C VAL A 76 -6.141 -0.127 -4.235 1.00 0.00 C ATOM 1112 O VAL A 76 -7.011 0.716 -4.014 1.00 0.00 O ATOM 1113 CB VAL A 76 -5.051 -0.202 -1.993 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -5.832 -1.471 -1.682 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -3.738 -0.180 -1.226 1.00 0.00 C ATOM 0 H VAL A 76 -4.672 1.979 -3.911 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.174 -0.905 -3.835 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.646 0.654 -1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.998 -1.542 -0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.793 -1.442 -2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.265 -2.339 -2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.939 -0.271 -0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.113 -1.012 -1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.220 0.759 -1.419 1.00 0.00 H new ATOM 1125 N THR A 77 -6.301 -1.123 -5.100 1.00 0.00 N ATOM 1126 CA THR A 77 -7.535 -1.290 -5.857 1.00 0.00 C ATOM 1127 C THR A 77 -8.547 -2.121 -5.075 1.00 0.00 C ATOM 1128 O THR A 77 -8.184 -3.096 -4.415 1.00 0.00 O ATOM 1129 CB THR A 77 -7.275 -1.958 -7.220 1.00 0.00 C ATOM 1130 OG1 THR A 77 -6.282 -1.222 -7.945 1.00 0.00 O ATOM 1131 CG2 THR A 77 -8.555 -2.027 -8.040 1.00 0.00 C ATOM 0 H THR A 77 -5.590 -1.828 -5.294 1.00 0.00 H new ATOM 0 HA THR A 77 -7.941 -0.293 -6.027 1.00 0.00 H new ATOM 0 HB THR A 77 -6.919 -2.972 -7.040 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.121 -1.654 -8.810 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.348 -2.502 -8.999 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.302 -2.609 -7.500 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.933 -1.019 -8.209 1.00 0.00 H new ATOM 1139 N THR A 78 -9.814 -1.734 -5.155 1.00 0.00 N ATOM 1140 CA THR A 78 -10.876 -2.447 -4.455 1.00 0.00 C ATOM 1141 C THR A 78 -12.077 -2.669 -5.366 1.00 0.00 C ATOM 1142 O THR A 78 -12.482 -1.771 -6.105 1.00 0.00 O ATOM 1143 CB THR A 78 -11.334 -1.686 -3.197 1.00 0.00 C ATOM 1144 OG1 THR A 78 -11.826 -0.390 -3.559 1.00 0.00 O ATOM 1145 CG2 THR A 78 -10.188 -1.541 -2.207 1.00 0.00 C ATOM 0 H THR A 78 -10.131 -0.931 -5.697 1.00 0.00 H new ATOM 0 HA THR A 78 -10.465 -3.411 -4.155 1.00 0.00 H new ATOM 0 HB THR A 78 -12.133 -2.257 -2.724 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.117 0.086 -2.753 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.534 -1.000 -1.326 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.836 -2.529 -1.911 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.372 -0.989 -2.674 1.00 0.00 H new ATOM 1153 N LYS A 79 -12.640 -3.872 -5.311 1.00 0.00 N ATOM 1154 CA LYS A 79 -13.793 -4.214 -6.133 1.00 0.00 C ATOM 1155 C LYS A 79 -14.971 -3.295 -5.826 1.00 0.00 C ATOM 1156 O LYS A 79 -15.613 -2.771 -6.737 1.00 0.00 O ATOM 1157 CB LYS A 79 -14.181 -5.676 -5.910 1.00 0.00 C ATOM 1158 CG LYS A 79 -13.087 -6.651 -6.315 1.00 0.00 C ATOM 1159 CD LYS A 79 -13.445 -8.086 -5.962 1.00 0.00 C ATOM 1160 CE LYS A 79 -14.665 -8.566 -6.732 1.00 0.00 C ATOM 1161 NZ LYS A 79 -14.446 -8.514 -8.204 1.00 0.00 N ATOM 0 H LYS A 79 -12.316 -4.626 -4.705 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.523 -4.077 -7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.421 -5.826 -4.857 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.085 -5.897 -6.478 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -12.912 -6.574 -7.388 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.155 -6.377 -5.820 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.598 -8.737 -6.180 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.637 -8.160 -4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.903 -9.588 -6.436 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.525 -7.950 -6.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.179 -9.074 -8.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.497 -7.527 -8.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.509 -8.904 -8.430 1.00 0.00 H new ATOM 1175 N SER A 80 -15.242 -3.091 -4.541 1.00 0.00 N ATOM 1176 CA SER A 80 -16.334 -2.219 -4.126 1.00 0.00 C ATOM 1177 C SER A 80 -16.046 -0.782 -4.543 1.00 0.00 C ATOM 1178 O SER A 80 -16.863 -0.135 -5.198 1.00 0.00 O ATOM 1179 CB SER A 80 -16.532 -2.297 -2.610 1.00 0.00 C ATOM 1180 OG SER A 80 -16.844 -3.619 -2.205 1.00 0.00 O ATOM 0 H SER A 80 -14.723 -3.516 -3.772 1.00 0.00 H new ATOM 0 HA SER A 80 -17.250 -2.552 -4.615 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.627 -1.962 -2.104 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.333 -1.622 -2.309 1.00 0.00 H new ATOM 0 HG SER A 80 -16.964 -3.644 -1.233 1.00 0.00 H new ATOM 1186 N GLY A 81 -14.866 -0.297 -4.167 1.00 0.00 N ATOM 1187 CA GLY A 81 -14.466 1.054 -4.515 1.00 0.00 C ATOM 1188 C GLY A 81 -13.718 1.105 -5.834 1.00 0.00 C ATOM 1189 O GLY A 81 -14.238 0.685 -6.868 1.00 0.00 O ATOM 0 H GLY A 81 -14.177 -0.819 -3.625 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.350 1.689 -4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.835 1.460 -3.725 1.00 0.00 H new ATOM 1193 N GLY A 82 -12.490 1.615 -5.794 1.00 0.00 N ATOM 1194 CA GLY A 82 -11.680 1.706 -6.995 1.00 0.00 C ATOM 1195 C GLY A 82 -10.216 1.951 -6.686 1.00 0.00 C ATOM 1196 O GLY A 82 -9.683 1.409 -5.718 1.00 0.00 O ATOM 0 H GLY A 82 -12.041 1.968 -4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.779 0.784 -7.567 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.056 2.513 -7.624 1.00 0.00 H new ATOM 1200 N LYS A 83 -9.562 2.768 -7.507 1.00 0.00 N ATOM 1201 CA LYS A 83 -8.152 3.078 -7.305 1.00 0.00 C ATOM 1202 C LYS A 83 -7.972 3.882 -6.019 1.00 0.00 C ATOM 1203 O LYS A 83 -8.603 4.923 -5.834 1.00 0.00 O ATOM 1204 CB LYS A 83 -7.603 3.852 -8.512 1.00 0.00 C ATOM 1205 CG LYS A 83 -6.082 3.971 -8.545 1.00 0.00 C ATOM 1206 CD LYS A 83 -5.556 4.978 -7.531 1.00 0.00 C ATOM 1207 CE LYS A 83 -6.068 6.382 -7.815 1.00 0.00 C ATOM 1208 NZ LYS A 83 -5.670 6.856 -9.169 1.00 0.00 N ATOM 0 H LYS A 83 -9.985 3.225 -8.315 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.592 2.147 -7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.937 3.361 -9.426 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.034 4.853 -8.513 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.640 2.995 -8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.765 4.267 -9.545 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.858 4.676 -6.528 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.466 4.977 -7.549 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.155 6.396 -7.731 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.681 7.069 -7.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.841 7.879 -9.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.660 6.662 -9.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.231 6.358 -9.890 1.00 0.00 H new ATOM 1222 N GLY A 84 -7.113 3.386 -5.133 1.00 0.00 N ATOM 1223 CA GLY A 84 -6.871 4.065 -3.873 1.00 0.00 C ATOM 1224 C GLY A 84 -5.924 5.243 -4.005 1.00 0.00 C ATOM 1225 O GLY A 84 -4.851 5.123 -4.593 1.00 0.00 O ATOM 0 H GLY A 84 -6.581 2.526 -5.265 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.820 4.413 -3.466 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.459 3.354 -3.157 1.00 0.00 H new ATOM 1229 N THR A 85 -6.321 6.380 -3.442 1.00 0.00 N ATOM 1230 CA THR A 85 -5.501 7.587 -3.482 1.00 0.00 C ATOM 1231 C THR A 85 -4.744 7.759 -2.172 1.00 0.00 C ATOM 1232 O THR A 85 -5.228 7.364 -1.111 1.00 0.00 O ATOM 1233 CB THR A 85 -6.353 8.844 -3.738 1.00 0.00 C ATOM 1234 OG1 THR A 85 -7.315 9.008 -2.689 1.00 0.00 O ATOM 1235 CG2 THR A 85 -7.068 8.751 -5.078 1.00 0.00 C ATOM 0 H THR A 85 -7.208 6.491 -2.951 1.00 0.00 H new ATOM 0 HA THR A 85 -4.796 7.470 -4.305 1.00 0.00 H new ATOM 0 HB THR A 85 -5.688 9.707 -3.758 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.851 9.811 -2.859 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.663 9.650 -5.236 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.333 8.658 -5.877 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.721 7.878 -5.082 1.00 0.00 H new ATOM 1243 N SER A 86 -3.551 8.344 -2.243 1.00 0.00 N ATOM 1244 CA SER A 86 -2.742 8.551 -1.047 1.00 0.00 C ATOM 1245 C SER A 86 -1.873 9.797 -1.160 1.00 0.00 C ATOM 1246 O SER A 86 -1.158 9.986 -2.144 1.00 0.00 O ATOM 1247 CB SER A 86 -1.851 7.337 -0.789 1.00 0.00 C ATOM 1248 OG SER A 86 -0.986 7.100 -1.885 1.00 0.00 O ATOM 0 H SER A 86 -3.127 8.680 -3.108 1.00 0.00 H new ATOM 0 HA SER A 86 -3.431 8.687 -0.213 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.263 7.498 0.115 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.471 6.458 -0.613 1.00 0.00 H new ATOM 0 HG SER A 86 -1.360 6.392 -2.450 1.00 0.00 H new ATOM 1254 N THR A 87 -1.932 10.629 -0.128 1.00 0.00 N ATOM 1255 CA THR A 87 -1.143 11.849 -0.079 1.00 0.00 C ATOM 1256 C THR A 87 0.277 11.544 0.378 1.00 0.00 C ATOM 1257 O THR A 87 1.232 12.209 -0.025 1.00 0.00 O ATOM 1258 CB THR A 87 -1.770 12.886 0.872 1.00 0.00 C ATOM 1259 OG1 THR A 87 -1.850 12.350 2.199 1.00 0.00 O ATOM 1260 CG2 THR A 87 -3.160 13.282 0.397 1.00 0.00 C ATOM 0 H THR A 87 -2.522 10.478 0.690 1.00 0.00 H new ATOM 0 HA THR A 87 -1.123 12.266 -1.086 1.00 0.00 H new ATOM 0 HB THR A 87 -1.136 13.773 0.876 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.248 13.016 2.797 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.584 14.015 1.083 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.094 13.715 -0.601 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.800 12.400 0.368 1.00 0.00 H new ATOM 1268 N VAL A 88 0.403 10.528 1.228 1.00 0.00 N ATOM 1269 CA VAL A 88 1.699 10.117 1.755 1.00 0.00 C ATOM 1270 C VAL A 88 2.413 9.175 0.791 1.00 0.00 C ATOM 1271 O VAL A 88 1.775 8.407 0.071 1.00 0.00 O ATOM 1272 CB VAL A 88 1.552 9.422 3.122 1.00 0.00 C ATOM 1273 CG1 VAL A 88 0.927 10.366 4.138 1.00 0.00 C ATOM 1274 CG2 VAL A 88 0.727 8.149 2.993 1.00 0.00 C ATOM 0 H VAL A 88 -0.382 9.972 1.567 1.00 0.00 H new ATOM 0 HA VAL A 88 2.293 11.023 1.877 1.00 0.00 H new ATOM 0 HB VAL A 88 2.546 9.149 3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.831 9.857 5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.560 11.245 4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.059 10.673 3.791 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.636 7.674 3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.265 8.395 2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.219 7.465 2.302 1.00 0.00 H new ATOM 1284 N SER A 89 3.741 9.241 0.783 1.00 0.00 N ATOM 1285 CA SER A 89 4.543 8.394 -0.091 1.00 0.00 C ATOM 1286 C SER A 89 5.775 7.872 0.642 1.00 0.00 C ATOM 1287 O SER A 89 6.455 8.618 1.346 1.00 0.00 O ATOM 1288 CB SER A 89 4.964 9.168 -1.341 1.00 0.00 C ATOM 1289 OG SER A 89 5.714 10.321 -1.001 1.00 0.00 O ATOM 0 H SER A 89 4.284 9.872 1.372 1.00 0.00 H new ATOM 0 HA SER A 89 3.934 7.542 -0.392 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.557 8.523 -1.989 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.079 9.460 -1.906 1.00 0.00 H new ATOM 0 HG SER A 89 5.972 10.796 -1.818 1.00 0.00 H new ATOM 1295 N PHE A 90 6.049 6.583 0.476 1.00 0.00 N ATOM 1296 CA PHE A 90 7.190 5.948 1.124 1.00 0.00 C ATOM 1297 C PHE A 90 8.465 6.114 0.302 1.00 0.00 C ATOM 1298 O PHE A 90 8.470 5.883 -0.908 1.00 0.00 O ATOM 1299 CB PHE A 90 6.912 4.461 1.334 1.00 0.00 C ATOM 1300 CG PHE A 90 8.050 3.724 1.977 1.00 0.00 C ATOM 1301 CD1 PHE A 90 8.338 3.901 3.321 1.00 0.00 C ATOM 1302 CD2 PHE A 90 8.830 2.850 1.238 1.00 0.00 C ATOM 1303 CE1 PHE A 90 9.383 3.221 3.913 1.00 0.00 C ATOM 1304 CE2 PHE A 90 9.875 2.167 1.826 1.00 0.00 C ATOM 1305 CZ PHE A 90 10.153 2.352 3.166 1.00 0.00 C ATOM 0 H PHE A 90 5.493 5.955 -0.105 1.00 0.00 H new ATOM 0 HA PHE A 90 7.337 6.437 2.087 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.022 4.350 1.953 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.690 4.001 0.371 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.738 4.578 3.911 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.618 2.701 0.190 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.598 3.369 4.961 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.475 1.488 1.238 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.970 1.818 3.628 1.00 0.00 H new ATOM 1315 N LYS A 91 9.547 6.499 0.972 1.00 0.00 N ATOM 1316 CA LYS A 91 10.834 6.676 0.310 1.00 0.00 C ATOM 1317 C LYS A 91 11.611 5.363 0.298 1.00 0.00 C ATOM 1318 O LYS A 91 11.855 4.769 1.349 1.00 0.00 O ATOM 1319 CB LYS A 91 11.650 7.761 1.017 1.00 0.00 C ATOM 1320 CG LYS A 91 13.020 7.994 0.400 1.00 0.00 C ATOM 1321 CD LYS A 91 13.801 9.057 1.156 1.00 0.00 C ATOM 1322 CE LYS A 91 15.191 9.249 0.571 1.00 0.00 C ATOM 1323 NZ LYS A 91 15.139 9.663 -0.858 1.00 0.00 N ATOM 0 H LYS A 91 9.558 6.694 1.973 1.00 0.00 H new ATOM 0 HA LYS A 91 10.653 6.986 -0.719 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.089 8.695 0.998 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.775 7.485 2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.583 7.060 0.399 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.904 8.298 -0.640 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.258 10.001 1.123 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.883 8.773 2.205 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.727 10.003 1.148 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.754 8.320 0.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 16.082 9.979 -1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.838 8.857 -1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.460 10.443 -0.969 1.00 0.00 H new ATOM 1337 N LEU A 92 11.996 4.913 -0.891 1.00 0.00 N ATOM 1338 CA LEU A 92 12.744 3.667 -1.028 1.00 0.00 C ATOM 1339 C LEU A 92 14.222 3.878 -0.716 1.00 0.00 C ATOM 1340 O LEU A 92 14.861 4.772 -1.273 1.00 0.00 O ATOM 1341 CB LEU A 92 12.585 3.089 -2.440 1.00 0.00 C ATOM 1342 CG LEU A 92 11.188 2.561 -2.790 1.00 0.00 C ATOM 1343 CD1 LEU A 92 10.759 1.485 -1.804 1.00 0.00 C ATOM 1344 CD2 LEU A 92 10.168 3.692 -2.823 1.00 0.00 C ATOM 0 H LEU A 92 11.804 5.390 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 92 12.336 2.956 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.852 3.862 -3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.301 2.277 -2.563 1.00 0.00 H new ATOM 0 HG LEU A 92 11.236 2.119 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.766 1.123 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.467 0.657 -1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.736 1.902 -0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.186 3.290 -3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.125 4.172 -1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.462 4.425 -3.574 1.00 0.00 H new ATOM 1356 N LEU A 93 14.760 3.048 0.173 1.00 0.00 N ATOM 1357 CA LEU A 93 16.164 3.141 0.554 1.00 0.00 C ATOM 1358 C LEU A 93 16.994 2.076 -0.154 1.00 0.00 C ATOM 1359 O LEU A 93 16.594 0.914 -0.235 1.00 0.00 O ATOM 1360 CB LEU A 93 16.321 3.004 2.070 1.00 0.00 C ATOM 1361 CG LEU A 93 15.576 4.050 2.905 1.00 0.00 C ATOM 1362 CD1 LEU A 93 15.866 3.853 4.385 1.00 0.00 C ATOM 1363 CD2 LEU A 93 15.958 5.457 2.468 1.00 0.00 C ATOM 0 H LEU A 93 14.244 2.304 0.643 1.00 0.00 H new ATOM 0 HA LEU A 93 16.528 4.122 0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 93 15.975 2.014 2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 93 17.382 3.057 2.315 1.00 0.00 H new ATOM 0 HG LEU A 93 14.506 3.921 2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.329 4.604 4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.541 2.859 4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 93 16.937 3.955 4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.418 6.185 3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 93 17.031 5.600 2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.699 5.595 1.418 1.00 0.00 H new ATOM 1375 N LYS A 94 18.154 2.480 -0.661 1.00 0.00 N ATOM 1376 CA LYS A 94 19.049 1.564 -1.360 1.00 0.00 C ATOM 1377 C LYS A 94 19.630 0.532 -0.396 1.00 0.00 C ATOM 1378 O LYS A 94 19.957 0.857 0.746 1.00 0.00 O ATOM 1379 CB LYS A 94 20.180 2.342 -2.037 1.00 0.00 C ATOM 1380 CG LYS A 94 19.691 3.385 -3.031 1.00 0.00 C ATOM 1381 CD LYS A 94 20.849 4.127 -3.682 1.00 0.00 C ATOM 1382 CE LYS A 94 21.729 3.190 -4.497 1.00 0.00 C ATOM 1383 NZ LYS A 94 22.869 3.909 -5.130 1.00 0.00 N ATOM 0 H LYS A 94 18.497 3.439 -0.601 1.00 0.00 H new ATOM 0 HA LYS A 94 18.472 1.039 -2.122 1.00 0.00 H new ATOM 0 HB2 LYS A 94 20.780 2.835 -1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.835 1.640 -2.553 1.00 0.00 H new ATOM 0 HG2 LYS A 94 19.090 2.901 -3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 94 19.042 4.098 -2.522 1.00 0.00 H new ATOM 0 HD2 LYS A 94 20.460 4.915 -4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 94 21.449 4.613 -2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.112 2.399 -3.852 1.00 0.00 H new ATOM 0 HE3 LYS A 94 21.129 2.709 -5.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 23.444 3.236 -5.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 22.504 4.647 -5.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 23.456 4.347 -4.392 1.00 0.00 H new ATOM 1397 N PRO A 95 19.763 -0.732 -0.840 1.00 0.00 N ATOM 1398 CA PRO A 95 20.306 -1.807 -0.003 1.00 0.00 C ATOM 1399 C PRO A 95 21.678 -1.459 0.568 1.00 0.00 C ATOM 1400 O PRO A 95 22.547 -0.957 -0.144 1.00 0.00 O ATOM 1401 CB PRO A 95 20.410 -2.994 -0.965 1.00 0.00 C ATOM 1402 CG PRO A 95 19.411 -2.706 -2.031 1.00 0.00 C ATOM 1403 CD PRO A 95 19.395 -1.212 -2.185 1.00 0.00 C ATOM 0 HA PRO A 95 19.678 -2.003 0.866 1.00 0.00 H new ATOM 0 HB2 PRO A 95 21.415 -3.082 -1.378 1.00 0.00 H new ATOM 0 HB3 PRO A 95 20.189 -3.934 -0.459 1.00 0.00 H new ATOM 0 HG2 PRO A 95 19.687 -3.192 -2.967 1.00 0.00 H new ATOM 0 HG3 PRO A 95 18.426 -3.081 -1.755 1.00 0.00 H new ATOM 0 HD2 PRO A 95 20.106 -0.877 -2.941 1.00 0.00 H new ATOM 0 HD3 PRO A 95 18.413 -0.849 -2.488 1.00 0.00 H new