USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 749 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 41 TYR OH : rot 180:sc= 0.0988 USER MOD Set 1.2: A 63 ASN :FLIP amide:sc= -2.4! C(o=-3.1!,f=-2.3!) USER MOD Set 2.1: A 20 THR OG1 : rot 179:sc= -0.242 USER MOD Set 2.2: A 23 SER OG : rot -40:sc= 0.264 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -160:sc= -0.309 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 16 GLN : amide:sc= -1.45! X(o=-1.5!,f=-1.3) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0375 USER MOD Single : A 21 MET CE :methyl -176:sc= -4.08 (180deg=-4.16) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0072 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.178 K(o=-0.18,f=-2.2!) USER MOD Single : A 33 GLN : amide:sc=-0.00176 X(o=-0.0018,f=-0.12) USER MOD Single : A 35 ASN : amide:sc= 0.183 K(o=0.18,f=-0.5) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.115 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.23) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 55 SER OG : rot -97:sc= 1.11 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -148:sc= -2.1 (180deg=-6.25!) USER MOD Single : A 60 SER OG : rot -105:sc= -0.257 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 170:sc= -0.824! USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -121:sc= 0 (180deg=-1.21) USER MOD Single : A 76 TYR OH : rot -67:sc= 1.05 USER MOD Single : A 79 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.1) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0761 USER MOD Single : A 88 TYR OH : rot 144:sc= 0.15 USER MOD Single : A 90 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.306) USER MOD Single : A 92 SER OG : rot -160:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl -167:sc= -3.59! (180deg=-4.52) USER MOD Single : A 96 CYS SG : rot 29:sc= 0.162 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot -158:sc= 0.785 USER MOD Single : A 101 THR OG1 : rot 24:sc= 0.999 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.004 -17.874 -4.155 1.00 0.00 N ATOM 60 CA GLY A 7 -1.330 -16.820 -4.891 1.00 0.00 C ATOM 61 C GLY A 7 0.104 -16.624 -4.441 1.00 0.00 C ATOM 62 O GLY A 7 0.635 -17.392 -3.638 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.344 -17.058 -5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.878 -15.886 -4.765 1.00 0.00 H new ATOM 66 N PRO A 8 0.755 -15.575 -4.965 1.00 0.00 N ATOM 67 CA PRO A 8 2.145 -15.257 -4.627 1.00 0.00 C ATOM 68 C PRO A 8 2.294 -14.758 -3.194 1.00 0.00 C ATOM 69 O PRO A 8 1.346 -14.237 -2.607 1.00 0.00 O ATOM 70 CB PRO A 8 2.507 -14.150 -5.619 1.00 0.00 C ATOM 71 CG PRO A 8 1.205 -13.517 -5.972 1.00 0.00 C ATOM 72 CD PRO A 8 0.184 -14.619 -5.928 1.00 0.00 C ATOM 0 HA PRO A 8 2.790 -16.133 -4.691 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.191 -13.427 -5.174 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.002 -14.555 -6.501 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.953 -12.723 -5.268 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.247 -13.063 -6.962 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.789 -14.252 -5.601 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.041 -15.073 -6.908 1.00 0.00 H new ATOM 80 N SER A 9 3.490 -14.920 -2.636 1.00 0.00 N ATOM 81 CA SER A 9 3.761 -14.489 -1.270 1.00 0.00 C ATOM 82 C SER A 9 3.786 -12.966 -1.176 1.00 0.00 C ATOM 83 O SER A 9 4.193 -12.280 -2.115 1.00 0.00 O ATOM 84 CB SER A 9 5.094 -15.063 -0.787 1.00 0.00 C ATOM 85 OG SER A 9 5.387 -14.632 0.531 1.00 0.00 O ATOM 0 H SER A 9 4.286 -15.347 -3.109 1.00 0.00 H new ATOM 0 HA SER A 9 2.960 -14.862 -0.632 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.057 -16.152 -0.817 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.893 -14.752 -1.461 1.00 0.00 H new ATOM 0 HG SER A 9 6.243 -15.014 0.817 1.00 0.00 H new ATOM 91 N THR A 10 3.347 -12.443 -0.036 1.00 0.00 N ATOM 92 CA THR A 10 3.316 -11.002 0.182 1.00 0.00 C ATOM 93 C THR A 10 4.172 -10.609 1.381 1.00 0.00 C ATOM 94 O THR A 10 4.478 -11.440 2.237 1.00 0.00 O ATOM 95 CB THR A 10 1.878 -10.497 0.404 1.00 0.00 C ATOM 96 OG1 THR A 10 1.776 -9.122 0.018 1.00 0.00 O ATOM 97 CG2 THR A 10 1.470 -10.652 1.862 1.00 0.00 C ATOM 0 H THR A 10 3.008 -12.996 0.751 1.00 0.00 H new ATOM 0 HA THR A 10 3.720 -10.538 -0.718 1.00 0.00 H new ATOM 0 HB THR A 10 1.207 -11.096 -0.211 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.988 -8.721 0.441 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.451 -10.289 1.995 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.520 -11.704 2.144 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.146 -10.075 2.492 1.00 0.00 H new ATOM 105 N VAL A 11 4.554 -9.337 1.439 1.00 0.00 N ATOM 106 CA VAL A 11 5.373 -8.834 2.535 1.00 0.00 C ATOM 107 C VAL A 11 4.778 -9.217 3.886 1.00 0.00 C ATOM 108 O VAL A 11 3.584 -9.052 4.135 1.00 0.00 O ATOM 109 CB VAL A 11 5.521 -7.302 2.467 1.00 0.00 C ATOM 110 CG1 VAL A 11 6.343 -6.793 3.641 1.00 0.00 C ATOM 111 CG2 VAL A 11 6.149 -6.886 1.146 1.00 0.00 C ATOM 0 H VAL A 11 4.309 -8.636 0.740 1.00 0.00 H new ATOM 0 HA VAL A 11 6.357 -9.292 2.432 1.00 0.00 H new ATOM 0 HB VAL A 11 4.529 -6.855 2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.437 -5.709 3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.848 -7.059 4.575 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.334 -7.245 3.614 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.246 -5.801 1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.135 -7.341 1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.517 -7.217 0.322 1.00 0.00 H new ATOM 121 N PRO A 12 5.630 -9.740 4.780 1.00 0.00 N ATOM 122 CA PRO A 12 5.212 -10.156 6.122 1.00 0.00 C ATOM 123 C PRO A 12 4.852 -8.970 7.011 1.00 0.00 C ATOM 124 O PRO A 12 3.884 -9.023 7.770 1.00 0.00 O ATOM 125 CB PRO A 12 6.444 -10.880 6.669 1.00 0.00 C ATOM 126 CG PRO A 12 7.591 -10.293 5.921 1.00 0.00 C ATOM 127 CD PRO A 12 7.067 -9.964 4.551 1.00 0.00 C ATOM 0 HA PRO A 12 4.314 -10.774 6.096 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.550 -10.725 7.743 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.375 -11.956 6.508 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.966 -9.400 6.420 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.421 -10.998 5.863 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.551 -9.079 4.138 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.240 -10.779 3.848 1.00 0.00 H new ATOM 135 N ILE A 13 5.637 -7.903 6.911 1.00 0.00 N ATOM 136 CA ILE A 13 5.399 -6.704 7.705 1.00 0.00 C ATOM 137 C ILE A 13 5.770 -5.446 6.927 1.00 0.00 C ATOM 138 O ILE A 13 6.632 -5.479 6.050 1.00 0.00 O ATOM 139 CB ILE A 13 6.198 -6.733 9.022 1.00 0.00 C ATOM 140 CG1 ILE A 13 5.849 -5.517 9.883 1.00 0.00 C ATOM 141 CG2 ILE A 13 7.691 -6.775 8.735 1.00 0.00 C ATOM 142 CD1 ILE A 13 5.963 -5.776 11.369 1.00 0.00 C ATOM 0 H ILE A 13 6.443 -7.844 6.288 1.00 0.00 H new ATOM 0 HA ILE A 13 4.334 -6.685 7.935 1.00 0.00 H new ATOM 0 HB ILE A 13 5.929 -7.634 9.573 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.508 -4.691 9.615 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.831 -5.200 9.655 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.242 -6.795 9.675 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.926 -7.669 8.158 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.977 -5.891 8.166 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.701 -4.871 11.917 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.284 -6.581 11.651 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.986 -6.063 11.611 1.00 0.00 H new ATOM 154 N MET A 14 5.114 -4.338 7.256 1.00 0.00 N ATOM 155 CA MET A 14 5.377 -3.068 6.590 1.00 0.00 C ATOM 156 C MET A 14 6.187 -2.140 7.489 1.00 0.00 C ATOM 157 O MET A 14 6.098 -2.213 8.715 1.00 0.00 O ATOM 158 CB MET A 14 4.063 -2.394 6.192 1.00 0.00 C ATOM 159 CG MET A 14 3.396 -3.027 4.982 1.00 0.00 C ATOM 160 SD MET A 14 2.053 -2.022 4.323 1.00 0.00 S ATOM 161 CE MET A 14 2.946 -0.966 3.185 1.00 0.00 C ATOM 0 H MET A 14 4.397 -4.294 7.980 1.00 0.00 H new ATOM 0 HA MET A 14 5.958 -3.272 5.691 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.375 -2.431 7.037 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.253 -1.341 5.982 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.142 -3.186 4.203 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.009 -4.008 5.257 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.249 -0.285 2.697 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.693 -0.390 3.732 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.441 -1.579 2.432 1.00 0.00 H new ATOM 171 N HIS A 15 6.977 -1.266 6.873 1.00 0.00 N ATOM 172 CA HIS A 15 7.803 -0.323 7.619 1.00 0.00 C ATOM 173 C HIS A 15 7.707 1.076 7.018 1.00 0.00 C ATOM 174 O HIS A 15 7.831 1.250 5.805 1.00 0.00 O ATOM 175 CB HIS A 15 9.259 -0.787 7.632 1.00 0.00 C ATOM 176 CG HIS A 15 9.482 -2.038 8.425 1.00 0.00 C ATOM 177 ND1 HIS A 15 9.125 -2.163 9.751 1.00 0.00 N ATOM 178 CD2 HIS A 15 10.028 -3.225 8.071 1.00 0.00 C ATOM 179 CE1 HIS A 15 9.443 -3.372 10.178 1.00 0.00 C ATOM 180 NE2 HIS A 15 9.992 -4.036 9.178 1.00 0.00 N ATOM 0 H HIS A 15 7.063 -1.191 5.859 1.00 0.00 H new ATOM 0 HA HIS A 15 7.433 -0.285 8.644 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.588 -0.953 6.606 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.882 0.009 8.041 1.00 0.00 H new ATOM 0 HD2 HIS A 15 10.419 -3.486 7.099 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.281 -3.752 11.176 1.00 0.00 H new ATOM 0 HE2 HIS A 15 10.334 -4.996 9.221 1.00 0.00 H new ATOM 189 N GLN A 16 7.487 2.069 7.873 1.00 0.00 N ATOM 190 CA GLN A 16 7.374 3.452 7.425 1.00 0.00 C ATOM 191 C GLN A 16 8.722 4.162 7.503 1.00 0.00 C ATOM 192 O GLN A 16 9.453 4.020 8.483 1.00 0.00 O ATOM 193 CB GLN A 16 6.340 4.201 8.268 1.00 0.00 C ATOM 194 CG GLN A 16 6.577 5.701 8.330 1.00 0.00 C ATOM 195 CD GLN A 16 5.292 6.489 8.493 1.00 0.00 C ATOM 196 OE1 GLN A 16 4.516 6.247 9.418 1.00 0.00 O ATOM 197 NE2 GLN A 16 5.061 7.438 7.594 1.00 0.00 N ATOM 0 H GLN A 16 7.383 1.942 8.880 1.00 0.00 H new ATOM 0 HA GLN A 16 7.048 3.445 6.385 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.347 4.015 7.859 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.348 3.798 9.281 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.244 5.925 9.162 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.083 6.023 7.420 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.732 7.604 6.844 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.213 8.001 7.653 1.00 0.00 H new ATOM 206 N VAL A 17 9.044 4.925 6.464 1.00 0.00 N ATOM 207 CA VAL A 17 10.304 5.657 6.415 1.00 0.00 C ATOM 208 C VAL A 17 10.089 7.140 6.696 1.00 0.00 C ATOM 209 O VAL A 17 10.833 7.752 7.463 1.00 0.00 O ATOM 210 CB VAL A 17 10.992 5.500 5.046 1.00 0.00 C ATOM 211 CG1 VAL A 17 12.309 6.262 5.019 1.00 0.00 C ATOM 212 CG2 VAL A 17 11.212 4.029 4.727 1.00 0.00 C ATOM 0 H VAL A 17 8.450 5.053 5.645 1.00 0.00 H new ATOM 0 HA VAL A 17 10.946 5.233 7.187 1.00 0.00 H new ATOM 0 HB VAL A 17 10.340 5.922 4.281 1.00 0.00 H new ATOM 0 HG11 VAL A 17 12.780 6.139 4.044 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.121 7.320 5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 17 12.970 5.873 5.793 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.699 3.936 3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 17 11.843 3.581 5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.251 3.515 4.702 1.00 0.00 H new ATOM 222 N SER A 18 9.065 7.713 6.071 1.00 0.00 N ATOM 223 CA SER A 18 8.753 9.126 6.250 1.00 0.00 C ATOM 224 C SER A 18 7.293 9.408 5.908 1.00 0.00 C ATOM 225 O SER A 18 6.541 8.500 5.554 1.00 0.00 O ATOM 226 CB SER A 18 9.669 9.987 5.379 1.00 0.00 C ATOM 227 OG SER A 18 9.523 11.362 5.689 1.00 0.00 O ATOM 0 H SER A 18 8.437 7.220 5.436 1.00 0.00 H new ATOM 0 HA SER A 18 8.918 9.379 7.297 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.706 9.686 5.528 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.437 9.822 4.327 1.00 0.00 H new ATOM 0 HG SER A 18 10.120 11.891 5.120 1.00 0.00 H new ATOM 233 N ALA A 19 6.901 10.673 6.015 1.00 0.00 N ATOM 234 CA ALA A 19 5.532 11.076 5.715 1.00 0.00 C ATOM 235 C ALA A 19 5.391 12.594 5.732 1.00 0.00 C ATOM 236 O ALA A 19 6.059 13.282 6.505 1.00 0.00 O ATOM 237 CB ALA A 19 4.566 10.442 6.705 1.00 0.00 C ATOM 0 H ALA A 19 7.511 11.436 6.307 1.00 0.00 H new ATOM 0 HA ALA A 19 5.288 10.726 4.712 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.548 10.752 6.469 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.639 9.356 6.641 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.818 10.763 7.716 1.00 0.00 H new ATOM 243 N THR A 20 4.517 13.113 4.875 1.00 0.00 N ATOM 244 CA THR A 20 4.290 14.550 4.791 1.00 0.00 C ATOM 245 C THR A 20 2.903 14.918 5.305 1.00 0.00 C ATOM 246 O THR A 20 2.170 14.065 5.806 1.00 0.00 O ATOM 247 CB THR A 20 4.440 15.059 3.345 1.00 0.00 C ATOM 248 OG1 THR A 20 3.280 14.712 2.580 1.00 0.00 O ATOM 249 CG2 THR A 20 5.680 14.468 2.690 1.00 0.00 C ATOM 0 H THR A 20 3.955 12.559 4.229 1.00 0.00 H new ATOM 0 HA THR A 20 5.045 15.026 5.416 1.00 0.00 H new ATOM 0 HB THR A 20 4.544 16.144 3.374 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.376 15.054 1.667 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.765 14.841 1.670 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.564 14.757 3.258 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.600 13.381 2.673 1.00 0.00 H new ATOM 257 N MET A 21 2.549 16.192 5.178 1.00 0.00 N ATOM 258 CA MET A 21 1.247 16.672 5.629 1.00 0.00 C ATOM 259 C MET A 21 0.168 16.371 4.594 1.00 0.00 C ATOM 260 O MET A 21 -1.018 16.316 4.918 1.00 0.00 O ATOM 261 CB MET A 21 1.302 18.176 5.904 1.00 0.00 C ATOM 262 CG MET A 21 1.829 18.523 7.287 1.00 0.00 C ATOM 263 SD MET A 21 1.569 20.255 7.715 1.00 0.00 S ATOM 264 CE MET A 21 -0.220 20.328 7.759 1.00 0.00 C ATOM 0 H MET A 21 3.145 16.911 4.767 1.00 0.00 H new ATOM 0 HA MET A 21 0.995 16.150 6.552 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.934 18.651 5.154 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.302 18.595 5.790 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.338 17.892 8.028 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.894 18.297 7.333 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.538 21.355 7.941 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.622 19.988 6.805 1.00 0.00 H new ATOM 0 HE3 MET A 21 -0.591 19.686 8.558 1.00 0.00 H new ATOM 274 N ARG A 22 0.588 16.179 3.348 1.00 0.00 N ATOM 275 CA ARG A 22 -0.344 15.885 2.265 1.00 0.00 C ATOM 276 C ARG A 22 -0.007 14.551 1.605 1.00 0.00 C ATOM 277 O ARG A 22 -0.556 14.209 0.558 1.00 0.00 O ATOM 278 CB ARG A 22 -0.316 17.004 1.222 1.00 0.00 C ATOM 279 CG ARG A 22 -0.716 18.362 1.775 1.00 0.00 C ATOM 280 CD ARG A 22 -0.433 19.475 0.779 1.00 0.00 C ATOM 281 NE ARG A 22 -1.243 19.347 -0.430 1.00 0.00 N ATOM 282 CZ ARG A 22 -1.512 20.360 -1.245 1.00 0.00 C ATOM 283 NH1 ARG A 22 -1.038 21.570 -0.983 1.00 0.00 N ATOM 284 NH2 ARG A 22 -2.257 20.164 -2.326 1.00 0.00 N ATOM 0 H ARG A 22 1.566 16.222 3.063 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.346 15.818 2.689 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.688 17.073 0.803 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.986 16.743 0.403 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.777 18.356 2.024 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.173 18.554 2.700 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.631 20.439 1.247 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.623 19.461 0.511 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.623 18.429 -0.661 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.465 21.725 -0.153 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.246 22.346 -1.611 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.623 19.234 -2.531 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.463 20.943 -2.951 1.00 0.00 H new ATOM 298 N SER A 23 0.901 13.803 2.223 1.00 0.00 N ATOM 299 CA SER A 23 1.314 12.509 1.694 1.00 0.00 C ATOM 300 C SER A 23 1.924 11.642 2.792 1.00 0.00 C ATOM 301 O SER A 23 2.019 12.060 3.946 1.00 0.00 O ATOM 302 CB SER A 23 2.323 12.698 0.559 1.00 0.00 C ATOM 303 OG SER A 23 3.650 12.721 1.054 1.00 0.00 O ATOM 0 H SER A 23 1.365 14.071 3.091 1.00 0.00 H new ATOM 0 HA SER A 23 0.430 12.004 1.306 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.216 11.890 -0.165 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.112 13.629 0.032 1.00 0.00 H new ATOM 0 HG SER A 23 3.678 13.229 1.892 1.00 0.00 H new ATOM 309 N ILE A 24 2.335 10.434 2.423 1.00 0.00 N ATOM 310 CA ILE A 24 2.936 9.508 3.375 1.00 0.00 C ATOM 311 C ILE A 24 3.887 8.542 2.677 1.00 0.00 C ATOM 312 O ILE A 24 3.529 7.908 1.684 1.00 0.00 O ATOM 313 CB ILE A 24 1.863 8.700 4.128 1.00 0.00 C ATOM 314 CG1 ILE A 24 0.894 9.641 4.846 1.00 0.00 C ATOM 315 CG2 ILE A 24 2.515 7.747 5.118 1.00 0.00 C ATOM 316 CD1 ILE A 24 -0.227 8.922 5.563 1.00 0.00 C ATOM 0 H ILE A 24 2.263 10.073 1.472 1.00 0.00 H new ATOM 0 HA ILE A 24 3.495 10.110 4.091 1.00 0.00 H new ATOM 0 HB ILE A 24 1.299 8.112 3.404 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.450 10.241 5.567 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.466 10.332 4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.743 7.183 5.642 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.168 7.057 4.583 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.101 8.317 5.839 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.875 9.651 6.049 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.807 8.344 4.844 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.192 8.252 6.313 1.00 0.00 H new ATOM 328 N THR A 25 5.103 8.433 3.204 1.00 0.00 N ATOM 329 CA THR A 25 6.107 7.544 2.633 1.00 0.00 C ATOM 330 C THR A 25 6.144 6.211 3.371 1.00 0.00 C ATOM 331 O THR A 25 6.044 6.166 4.598 1.00 0.00 O ATOM 332 CB THR A 25 7.509 8.180 2.674 1.00 0.00 C ATOM 333 OG1 THR A 25 7.468 9.492 2.100 1.00 0.00 O ATOM 334 CG2 THR A 25 8.514 7.323 1.920 1.00 0.00 C ATOM 0 H THR A 25 5.416 8.950 4.026 1.00 0.00 H new ATOM 0 HA THR A 25 5.824 7.373 1.594 1.00 0.00 H new ATOM 0 HB THR A 25 7.823 8.248 3.716 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.363 9.891 2.131 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.497 7.792 1.963 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.564 6.334 2.376 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.203 7.227 0.880 1.00 0.00 H new ATOM 342 N LEU A 26 6.290 5.127 2.618 1.00 0.00 N ATOM 343 CA LEU A 26 6.342 3.791 3.201 1.00 0.00 C ATOM 344 C LEU A 26 7.328 2.905 2.447 1.00 0.00 C ATOM 345 O LEU A 26 7.722 3.215 1.323 1.00 0.00 O ATOM 346 CB LEU A 26 4.952 3.152 3.187 1.00 0.00 C ATOM 347 CG LEU A 26 3.792 4.060 3.598 1.00 0.00 C ATOM 348 CD1 LEU A 26 2.495 3.594 2.955 1.00 0.00 C ATOM 349 CD2 LEU A 26 3.655 4.097 5.113 1.00 0.00 C ATOM 0 H LEU A 26 6.375 5.147 1.602 1.00 0.00 H new ATOM 0 HA LEU A 26 6.682 3.885 4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.756 2.778 2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.964 2.288 3.852 1.00 0.00 H new ATOM 0 HG LEU A 26 4.005 5.070 3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.681 4.252 3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.597 3.620 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.276 2.575 3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.825 4.748 5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.466 3.090 5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.576 4.479 5.552 1.00 0.00 H new ATOM 361 N SER A 27 7.722 1.800 3.072 1.00 0.00 N ATOM 362 CA SER A 27 8.663 0.870 2.461 1.00 0.00 C ATOM 363 C SER A 27 8.454 -0.544 2.995 1.00 0.00 C ATOM 364 O SER A 27 8.085 -0.733 4.154 1.00 0.00 O ATOM 365 CB SER A 27 10.101 1.319 2.725 1.00 0.00 C ATOM 366 OG SER A 27 11.029 0.468 2.075 1.00 0.00 O ATOM 0 H SER A 27 7.404 1.527 4.002 1.00 0.00 H new ATOM 0 HA SER A 27 8.483 0.864 1.386 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.235 2.343 2.376 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.294 1.320 3.798 1.00 0.00 H new ATOM 0 HG SER A 27 11.941 0.778 2.258 1.00 0.00 H new ATOM 372 N TRP A 28 8.693 -1.533 2.141 1.00 0.00 N ATOM 373 CA TRP A 28 8.531 -2.931 2.526 1.00 0.00 C ATOM 374 C TRP A 28 9.552 -3.813 1.816 1.00 0.00 C ATOM 375 O TRP A 28 9.965 -3.541 0.689 1.00 0.00 O ATOM 376 CB TRP A 28 7.114 -3.409 2.203 1.00 0.00 C ATOM 377 CG TRP A 28 6.715 -3.167 0.779 1.00 0.00 C ATOM 378 CD1 TRP A 28 6.809 -4.048 -0.260 1.00 0.00 C ATOM 379 CD2 TRP A 28 6.162 -1.963 0.237 1.00 0.00 C ATOM 380 NE1 TRP A 28 6.348 -3.465 -1.415 1.00 0.00 N ATOM 381 CE2 TRP A 28 5.944 -2.186 -1.137 1.00 0.00 C ATOM 382 CE3 TRP A 28 5.827 -0.719 0.778 1.00 0.00 C ATOM 383 CZ2 TRP A 28 5.408 -1.210 -1.973 1.00 0.00 C ATOM 384 CZ3 TRP A 28 5.296 0.249 -0.053 1.00 0.00 C ATOM 385 CH2 TRP A 28 5.089 -0.002 -1.417 1.00 0.00 C ATOM 0 H TRP A 28 8.999 -1.393 1.178 1.00 0.00 H new ATOM 0 HA TRP A 28 8.697 -3.008 3.601 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.040 -4.475 2.417 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.409 -2.902 2.861 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.190 -5.056 -0.185 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.312 -3.912 -2.331 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.980 -0.517 1.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.250 -1.400 -3.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.036 1.215 0.355 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.670 0.774 -2.040 1.00 0.00 H new ATOM 396 N PRO A 29 9.971 -4.894 2.490 1.00 0.00 N ATOM 397 CA PRO A 29 10.950 -5.838 1.942 1.00 0.00 C ATOM 398 C PRO A 29 10.382 -6.656 0.787 1.00 0.00 C ATOM 399 O PRO A 29 9.226 -6.484 0.403 1.00 0.00 O ATOM 400 CB PRO A 29 11.272 -6.745 3.132 1.00 0.00 C ATOM 401 CG PRO A 29 10.066 -6.671 4.003 1.00 0.00 C ATOM 402 CD PRO A 29 9.521 -5.279 3.838 1.00 0.00 C ATOM 0 HA PRO A 29 11.821 -5.329 1.529 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.465 -7.768 2.809 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.163 -6.404 3.660 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.327 -7.417 3.710 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.323 -6.869 5.044 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.434 -5.261 3.919 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.909 -4.603 4.600 1.00 0.00 H new ATOM 410 N GLN A 30 11.203 -7.546 0.239 1.00 0.00 N ATOM 411 CA GLN A 30 10.781 -8.390 -0.873 1.00 0.00 C ATOM 412 C GLN A 30 10.562 -9.828 -0.412 1.00 0.00 C ATOM 413 O GLN A 30 11.355 -10.391 0.343 1.00 0.00 O ATOM 414 CB GLN A 30 11.823 -8.354 -1.992 1.00 0.00 C ATOM 415 CG GLN A 30 11.465 -9.226 -3.185 1.00 0.00 C ATOM 416 CD GLN A 30 12.686 -9.693 -3.954 1.00 0.00 C ATOM 417 OE1 GLN A 30 13.810 -9.624 -3.457 1.00 0.00 O ATOM 418 NE2 GLN A 30 12.470 -10.171 -5.173 1.00 0.00 N ATOM 0 H GLN A 30 12.163 -7.701 0.546 1.00 0.00 H new ATOM 0 HA GLN A 30 9.836 -8.001 -1.253 1.00 0.00 H new ATOM 0 HB2 GLN A 30 11.947 -7.325 -2.329 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.784 -8.676 -1.592 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.904 -10.094 -2.840 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.810 -8.668 -3.854 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.521 -10.210 -5.545 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.253 -10.500 -5.738 1.00 0.00 H new ATOM 427 N PRO A 31 9.461 -10.437 -0.876 1.00 0.00 N ATOM 428 CA PRO A 31 9.112 -11.817 -0.524 1.00 0.00 C ATOM 429 C PRO A 31 10.058 -12.832 -1.155 1.00 0.00 C ATOM 430 O PRO A 31 10.767 -12.522 -2.112 1.00 0.00 O ATOM 431 CB PRO A 31 7.699 -11.980 -1.089 1.00 0.00 C ATOM 432 CG PRO A 31 7.618 -10.990 -2.199 1.00 0.00 C ATOM 433 CD PRO A 31 8.472 -9.826 -1.779 1.00 0.00 C ATOM 0 HA PRO A 31 9.180 -11.994 0.549 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.532 -12.995 -1.451 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.943 -11.784 -0.328 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.978 -11.421 -3.133 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.588 -10.677 -2.368 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.950 -9.349 -2.635 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.885 -9.059 -1.273 1.00 0.00 H new ATOM 441 N GLU A 32 10.064 -14.046 -0.613 1.00 0.00 N ATOM 442 CA GLU A 32 10.924 -15.107 -1.124 1.00 0.00 C ATOM 443 C GLU A 32 10.103 -16.178 -1.835 1.00 0.00 C ATOM 444 O GLU A 32 10.646 -17.009 -2.562 1.00 0.00 O ATOM 445 CB GLU A 32 11.726 -15.737 0.017 1.00 0.00 C ATOM 446 CG GLU A 32 10.863 -16.251 1.157 1.00 0.00 C ATOM 447 CD GLU A 32 11.683 -16.736 2.337 1.00 0.00 C ATOM 448 OE1 GLU A 32 12.122 -15.889 3.143 1.00 0.00 O ATOM 449 OE2 GLU A 32 11.885 -17.963 2.454 1.00 0.00 O ATOM 0 H GLU A 32 9.483 -14.319 0.180 1.00 0.00 H new ATOM 0 HA GLU A 32 11.614 -14.666 -1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.319 -16.562 -0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.427 -14.999 0.407 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.193 -15.457 1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.237 -17.066 0.795 1.00 0.00 H new ATOM 456 N GLN A 33 8.792 -16.151 -1.619 1.00 0.00 N ATOM 457 CA GLN A 33 7.896 -17.121 -2.238 1.00 0.00 C ATOM 458 C GLN A 33 6.869 -16.424 -3.124 1.00 0.00 C ATOM 459 O GLN A 33 5.663 -16.651 -3.015 1.00 0.00 O ATOM 460 CB GLN A 33 7.185 -17.947 -1.165 1.00 0.00 C ATOM 461 CG GLN A 33 8.069 -19.008 -0.529 1.00 0.00 C ATOM 462 CD GLN A 33 7.276 -20.180 0.014 1.00 0.00 C ATOM 463 OE1 GLN A 33 6.497 -20.804 -0.706 1.00 0.00 O ATOM 464 NE2 GLN A 33 7.472 -20.486 1.291 1.00 0.00 N ATOM 0 H GLN A 33 8.327 -15.469 -1.020 1.00 0.00 H new ATOM 0 HA GLN A 33 8.495 -17.786 -2.861 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.818 -17.278 -0.387 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.314 -18.430 -1.608 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.785 -19.370 -1.267 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.645 -18.558 0.280 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.128 -19.941 1.851 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.967 -21.266 1.712 1.00 0.00 H new ATOM 473 N PRO A 34 7.354 -15.555 -4.023 1.00 0.00 N ATOM 474 CA PRO A 34 6.494 -14.807 -4.945 1.00 0.00 C ATOM 475 C PRO A 34 5.865 -15.703 -6.006 1.00 0.00 C ATOM 476 O PRO A 34 5.148 -15.230 -6.886 1.00 0.00 O ATOM 477 CB PRO A 34 7.454 -13.806 -5.592 1.00 0.00 C ATOM 478 CG PRO A 34 8.796 -14.445 -5.488 1.00 0.00 C ATOM 479 CD PRO A 34 8.779 -15.235 -4.208 1.00 0.00 C ATOM 0 HA PRO A 34 5.653 -14.341 -4.431 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.186 -13.616 -6.631 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.432 -12.846 -5.076 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.988 -15.092 -6.344 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.586 -13.694 -5.473 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.387 -16.137 -4.284 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.172 -14.655 -3.373 1.00 0.00 H new ATOM 487 N ASN A 35 6.138 -17.001 -5.916 1.00 0.00 N ATOM 488 CA ASN A 35 5.597 -17.964 -6.869 1.00 0.00 C ATOM 489 C ASN A 35 5.787 -17.476 -8.302 1.00 0.00 C ATOM 490 O ASN A 35 4.988 -17.784 -9.185 1.00 0.00 O ATOM 491 CB ASN A 35 4.112 -18.207 -6.593 1.00 0.00 C ATOM 492 CG ASN A 35 3.882 -19.003 -5.323 1.00 0.00 C ATOM 493 OD1 ASN A 35 3.466 -20.160 -5.370 1.00 0.00 O ATOM 494 ND2 ASN A 35 4.153 -18.384 -4.180 1.00 0.00 N ATOM 0 H ASN A 35 6.730 -17.410 -5.193 1.00 0.00 H new ATOM 0 HA ASN A 35 6.140 -18.902 -6.748 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.598 -17.249 -6.516 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.671 -18.738 -7.436 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.018 -18.869 -3.293 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.496 -17.424 -4.189 1.00 0.00 H new ATOM 501 N GLY A 36 6.853 -16.713 -8.525 1.00 0.00 N ATOM 502 CA GLY A 36 7.129 -16.195 -9.852 1.00 0.00 C ATOM 503 C GLY A 36 7.472 -14.718 -9.839 1.00 0.00 C ATOM 504 O GLY A 36 7.145 -14.007 -8.888 1.00 0.00 O ATOM 0 H GLY A 36 7.530 -16.445 -7.811 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.956 -16.753 -10.292 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.260 -16.357 -10.490 1.00 0.00 H new ATOM 508 N ILE A 37 8.134 -14.257 -10.894 1.00 0.00 N ATOM 509 CA ILE A 37 8.523 -12.855 -10.999 1.00 0.00 C ATOM 510 C ILE A 37 7.405 -11.938 -10.515 1.00 0.00 C ATOM 511 O ILE A 37 6.228 -12.185 -10.777 1.00 0.00 O ATOM 512 CB ILE A 37 8.889 -12.479 -12.447 1.00 0.00 C ATOM 513 CG1 ILE A 37 10.139 -13.239 -12.893 1.00 0.00 C ATOM 514 CG2 ILE A 37 9.104 -10.978 -12.566 1.00 0.00 C ATOM 515 CD1 ILE A 37 11.215 -13.310 -11.832 1.00 0.00 C ATOM 0 H ILE A 37 8.413 -14.833 -11.688 1.00 0.00 H new ATOM 0 HA ILE A 37 9.400 -12.722 -10.365 1.00 0.00 H new ATOM 0 HB ILE A 37 8.063 -12.761 -13.100 1.00 0.00 H new ATOM 0 HG12 ILE A 37 9.855 -14.252 -13.179 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.548 -12.759 -13.782 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.362 -10.728 -13.595 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.190 -10.456 -12.284 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.915 -10.673 -11.904 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.071 -13.863 -12.218 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.527 -12.301 -11.562 1.00 0.00 H new ATOM 0 HD13 ILE A 37 10.823 -13.817 -10.950 1.00 0.00 H new ATOM 527 N ILE A 38 7.782 -10.878 -9.808 1.00 0.00 N ATOM 528 CA ILE A 38 6.812 -9.921 -9.289 1.00 0.00 C ATOM 529 C ILE A 38 6.677 -8.718 -10.216 1.00 0.00 C ATOM 530 O ILE A 38 7.477 -7.784 -10.159 1.00 0.00 O ATOM 531 CB ILE A 38 7.202 -9.430 -7.883 1.00 0.00 C ATOM 532 CG1 ILE A 38 7.037 -10.558 -6.861 1.00 0.00 C ATOM 533 CG2 ILE A 38 6.360 -8.225 -7.490 1.00 0.00 C ATOM 534 CD1 ILE A 38 7.573 -10.213 -5.489 1.00 0.00 C ATOM 0 H ILE A 38 8.752 -10.660 -9.581 1.00 0.00 H new ATOM 0 HA ILE A 38 5.856 -10.441 -9.231 1.00 0.00 H new ATOM 0 HB ILE A 38 8.249 -9.128 -7.897 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.980 -10.809 -6.777 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.548 -11.448 -7.229 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.648 -7.890 -6.494 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.523 -7.419 -8.205 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.306 -8.502 -7.489 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.423 -11.058 -4.817 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.638 -9.991 -5.560 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.045 -9.342 -5.101 1.00 0.00 H new ATOM 546 N LEU A 39 5.658 -8.747 -11.069 1.00 0.00 N ATOM 547 CA LEU A 39 5.416 -7.657 -12.008 1.00 0.00 C ATOM 548 C LEU A 39 5.581 -6.303 -11.325 1.00 0.00 C ATOM 549 O LEU A 39 6.441 -5.507 -11.703 1.00 0.00 O ATOM 550 CB LEU A 39 4.012 -7.773 -12.603 1.00 0.00 C ATOM 551 CG LEU A 39 3.741 -9.019 -13.447 1.00 0.00 C ATOM 552 CD1 LEU A 39 2.251 -9.173 -13.709 1.00 0.00 C ATOM 553 CD2 LEU A 39 4.511 -8.953 -14.758 1.00 0.00 C ATOM 0 H LEU A 39 4.987 -9.513 -11.129 1.00 0.00 H new ATOM 0 HA LEU A 39 6.151 -7.731 -12.810 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.290 -7.748 -11.787 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.827 -6.894 -13.220 1.00 0.00 H new ATOM 0 HG LEU A 39 4.083 -9.892 -12.891 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.078 -10.065 -14.311 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.723 -9.267 -12.760 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.883 -8.297 -14.244 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.306 -9.848 -15.346 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.200 -8.072 -15.319 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.579 -8.892 -14.550 1.00 0.00 H new ATOM 565 N ASP A 40 4.754 -6.050 -10.317 1.00 0.00 N ATOM 566 CA ASP A 40 4.811 -4.793 -9.579 1.00 0.00 C ATOM 567 C ASP A 40 4.118 -4.926 -8.226 1.00 0.00 C ATOM 568 O ASP A 40 3.631 -6.000 -7.869 1.00 0.00 O ATOM 569 CB ASP A 40 4.161 -3.671 -10.390 1.00 0.00 C ATOM 570 CG ASP A 40 4.867 -3.427 -11.709 1.00 0.00 C ATOM 571 OD1 ASP A 40 6.079 -3.128 -11.687 1.00 0.00 O ATOM 572 OD2 ASP A 40 4.207 -3.536 -12.764 1.00 0.00 O ATOM 0 H ASP A 40 4.036 -6.698 -9.992 1.00 0.00 H new ATOM 0 HA ASP A 40 5.859 -4.547 -9.408 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.118 -3.922 -10.581 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.166 -2.752 -9.803 1.00 0.00 H new ATOM 577 N TYR A 41 4.079 -3.830 -7.477 1.00 0.00 N ATOM 578 CA TYR A 41 3.450 -3.825 -6.162 1.00 0.00 C ATOM 579 C TYR A 41 2.360 -2.761 -6.083 1.00 0.00 C ATOM 580 O TYR A 41 2.629 -1.570 -6.233 1.00 0.00 O ATOM 581 CB TYR A 41 4.497 -3.580 -5.073 1.00 0.00 C ATOM 582 CG TYR A 41 5.704 -4.484 -5.180 1.00 0.00 C ATOM 583 CD1 TYR A 41 6.705 -4.231 -6.111 1.00 0.00 C ATOM 584 CD2 TYR A 41 5.845 -5.590 -4.352 1.00 0.00 C ATOM 585 CE1 TYR A 41 7.810 -5.054 -6.213 1.00 0.00 C ATOM 586 CE2 TYR A 41 6.947 -6.418 -4.446 1.00 0.00 C ATOM 587 CZ TYR A 41 7.926 -6.146 -5.378 1.00 0.00 C ATOM 588 OH TYR A 41 9.025 -6.969 -5.476 1.00 0.00 O ATOM 0 H TYR A 41 4.476 -2.933 -7.758 1.00 0.00 H new ATOM 0 HA TYR A 41 2.992 -4.801 -6.003 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.825 -2.542 -5.123 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.033 -3.721 -4.097 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.617 -3.377 -6.766 1.00 0.00 H new ATOM 0 HD2 TYR A 41 5.080 -5.807 -3.622 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.578 -4.844 -6.942 1.00 0.00 H new ATOM 0 HE2 TYR A 41 7.041 -7.273 -3.793 1.00 0.00 H new ATOM 0 HH TYR A 41 8.953 -7.690 -4.816 1.00 0.00 H new ATOM 598 N GLU A 42 1.128 -3.201 -5.847 1.00 0.00 N ATOM 599 CA GLU A 42 -0.003 -2.287 -5.749 1.00 0.00 C ATOM 600 C GLU A 42 -0.283 -1.921 -4.294 1.00 0.00 C ATOM 601 O GLU A 42 -0.279 -2.783 -3.415 1.00 0.00 O ATOM 602 CB GLU A 42 -1.250 -2.913 -6.377 1.00 0.00 C ATOM 603 CG GLU A 42 -2.268 -1.892 -6.857 1.00 0.00 C ATOM 604 CD GLU A 42 -3.110 -2.406 -8.009 1.00 0.00 C ATOM 605 OE1 GLU A 42 -2.547 -3.062 -8.910 1.00 0.00 O ATOM 606 OE2 GLU A 42 -4.333 -2.152 -8.009 1.00 0.00 O ATOM 0 H GLU A 42 0.888 -4.184 -5.720 1.00 0.00 H new ATOM 0 HA GLU A 42 0.251 -1.377 -6.292 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.949 -3.536 -7.219 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.723 -3.570 -5.647 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.921 -1.618 -6.028 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.749 -0.985 -7.167 1.00 0.00 H new ATOM 613 N ILE A 43 -0.523 -0.637 -4.048 1.00 0.00 N ATOM 614 CA ILE A 43 -0.804 -0.157 -2.701 1.00 0.00 C ATOM 615 C ILE A 43 -2.235 0.358 -2.589 1.00 0.00 C ATOM 616 O ILE A 43 -2.692 1.138 -3.424 1.00 0.00 O ATOM 617 CB ILE A 43 0.167 0.965 -2.289 1.00 0.00 C ATOM 618 CG1 ILE A 43 1.606 0.444 -2.273 1.00 0.00 C ATOM 619 CG2 ILE A 43 -0.215 1.522 -0.926 1.00 0.00 C ATOM 620 CD1 ILE A 43 2.299 0.544 -3.614 1.00 0.00 C ATOM 0 H ILE A 43 -0.528 0.089 -4.764 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.672 -1.005 -2.030 1.00 0.00 H new ATOM 0 HB ILE A 43 0.100 1.770 -3.021 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.179 1.005 -1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.603 -0.597 -1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.481 2.314 -0.649 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.227 1.926 -0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.173 0.726 -0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.314 0.157 -3.529 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.749 -0.040 -4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.333 1.587 -3.929 1.00 0.00 H new ATOM 632 N ARG A 44 -2.937 -0.083 -1.550 1.00 0.00 N ATOM 633 CA ARG A 44 -4.316 0.333 -1.327 1.00 0.00 C ATOM 634 C ARG A 44 -4.439 1.142 -0.039 1.00 0.00 C ATOM 635 O ARG A 44 -4.128 0.650 1.046 1.00 0.00 O ATOM 636 CB ARG A 44 -5.236 -0.887 -1.265 1.00 0.00 C ATOM 637 CG ARG A 44 -6.683 -0.544 -0.950 1.00 0.00 C ATOM 638 CD ARG A 44 -7.604 -1.727 -1.203 1.00 0.00 C ATOM 639 NE ARG A 44 -7.519 -2.725 -0.140 1.00 0.00 N ATOM 640 CZ ARG A 44 -7.842 -4.003 -0.303 1.00 0.00 C ATOM 641 NH1 ARG A 44 -8.270 -4.436 -1.481 1.00 0.00 N ATOM 642 NH2 ARG A 44 -7.737 -4.850 0.712 1.00 0.00 N ATOM 0 H ARG A 44 -2.573 -0.729 -0.849 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.617 0.965 -2.163 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.195 -1.411 -2.220 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.862 -1.576 -0.508 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.766 -0.233 0.091 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.999 0.302 -1.561 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.632 -1.374 -1.288 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.346 -2.190 -2.156 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.194 -2.424 0.779 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.352 -3.787 -2.264 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.518 -5.418 -1.604 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.408 -4.520 1.619 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.985 -5.831 0.585 1.00 0.00 H new ATOM 656 N TYR A 45 -4.892 2.384 -0.167 1.00 0.00 N ATOM 657 CA TYR A 45 -5.053 3.262 0.986 1.00 0.00 C ATOM 658 C TYR A 45 -6.456 3.860 1.024 1.00 0.00 C ATOM 659 O TYR A 45 -7.030 4.192 -0.014 1.00 0.00 O ATOM 660 CB TYR A 45 -4.010 4.380 0.950 1.00 0.00 C ATOM 661 CG TYR A 45 -4.070 5.224 -0.303 1.00 0.00 C ATOM 662 CD1 TYR A 45 -3.583 4.742 -1.512 1.00 0.00 C ATOM 663 CD2 TYR A 45 -4.611 6.504 -0.278 1.00 0.00 C ATOM 664 CE1 TYR A 45 -3.635 5.509 -2.660 1.00 0.00 C ATOM 665 CE2 TYR A 45 -4.668 7.277 -1.421 1.00 0.00 C ATOM 666 CZ TYR A 45 -4.178 6.776 -2.609 1.00 0.00 C ATOM 667 OH TYR A 45 -4.232 7.545 -3.749 1.00 0.00 O ATOM 0 H TYR A 45 -5.154 2.806 -1.058 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.908 2.667 1.888 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.150 5.024 1.819 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.016 3.941 1.035 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.156 3.751 -1.555 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.993 6.901 0.651 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.253 5.119 -3.592 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.094 8.269 -1.385 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.644 8.409 -3.541 1.00 0.00 H new ATOM 677 N TYR A 46 -7.001 3.995 2.227 1.00 0.00 N ATOM 678 CA TYR A 46 -8.338 4.551 2.402 1.00 0.00 C ATOM 679 C TYR A 46 -8.479 5.209 3.772 1.00 0.00 C ATOM 680 O TYR A 46 -7.727 4.906 4.698 1.00 0.00 O ATOM 681 CB TYR A 46 -9.394 3.457 2.239 1.00 0.00 C ATOM 682 CG TYR A 46 -9.233 2.310 3.211 1.00 0.00 C ATOM 683 CD1 TYR A 46 -8.438 1.214 2.898 1.00 0.00 C ATOM 684 CD2 TYR A 46 -9.876 2.321 4.443 1.00 0.00 C ATOM 685 CE1 TYR A 46 -8.289 0.164 3.782 1.00 0.00 C ATOM 686 CE2 TYR A 46 -9.731 1.276 5.334 1.00 0.00 C ATOM 687 CZ TYR A 46 -8.937 0.200 4.999 1.00 0.00 C ATOM 688 OH TYR A 46 -8.791 -0.844 5.884 1.00 0.00 O ATOM 0 H TYR A 46 -6.538 3.727 3.096 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.491 5.311 1.636 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.383 3.896 2.369 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.349 3.069 1.221 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -7.928 1.183 1.947 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -10.500 3.162 4.708 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.668 -0.681 3.522 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -10.237 1.302 6.288 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.312 -0.662 6.694 1.00 0.00 H new ATOM 698 N GLU A 47 -9.448 6.111 3.890 1.00 0.00 N ATOM 699 CA GLU A 47 -9.688 6.813 5.146 1.00 0.00 C ATOM 700 C GLU A 47 -10.152 5.845 6.230 1.00 0.00 C ATOM 701 O GLU A 47 -11.054 5.035 6.012 1.00 0.00 O ATOM 702 CB GLU A 47 -10.732 7.914 4.949 1.00 0.00 C ATOM 703 CG GLU A 47 -10.145 9.233 4.477 1.00 0.00 C ATOM 704 CD GLU A 47 -11.152 10.366 4.509 1.00 0.00 C ATOM 705 OE1 GLU A 47 -12.176 10.269 3.800 1.00 0.00 O ATOM 706 OE2 GLU A 47 -10.918 11.348 5.243 1.00 0.00 O ATOM 0 H GLU A 47 -10.079 6.373 3.133 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.749 7.266 5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.472 7.575 4.224 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.258 8.076 5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.293 9.492 5.105 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.768 9.116 3.461 1.00 0.00 H new ATOM 713 N LYS A 48 -9.528 5.933 7.400 1.00 0.00 N ATOM 714 CA LYS A 48 -9.876 5.067 8.520 1.00 0.00 C ATOM 715 C LYS A 48 -11.388 4.912 8.640 1.00 0.00 C ATOM 716 O LYS A 48 -11.890 3.821 8.909 1.00 0.00 O ATOM 717 CB LYS A 48 -9.306 5.631 9.824 1.00 0.00 C ATOM 718 CG LYS A 48 -9.196 4.601 10.935 1.00 0.00 C ATOM 719 CD LYS A 48 -8.401 5.136 12.115 1.00 0.00 C ATOM 720 CE LYS A 48 -8.734 4.388 13.396 1.00 0.00 C ATOM 721 NZ LYS A 48 -8.052 4.984 14.579 1.00 0.00 N ATOM 0 H LYS A 48 -8.778 6.596 7.597 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.442 4.085 8.335 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.319 6.049 9.628 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.938 6.452 10.162 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.194 4.315 11.267 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.717 3.700 10.551 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.335 5.047 11.907 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.613 6.197 12.247 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.812 4.400 13.554 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.439 3.344 13.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.304 4.446 15.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.022 4.949 14.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.353 5.973 14.692 1.00 0.00 H new ATOM 735 N GLU A 49 -12.109 6.010 8.437 1.00 0.00 N ATOM 736 CA GLU A 49 -13.565 5.995 8.521 1.00 0.00 C ATOM 737 C GLU A 49 -14.174 5.332 7.289 1.00 0.00 C ATOM 738 O GLU A 49 -15.242 4.724 7.362 1.00 0.00 O ATOM 739 CB GLU A 49 -14.105 7.419 8.668 1.00 0.00 C ATOM 740 CG GLU A 49 -13.575 8.148 9.891 1.00 0.00 C ATOM 741 CD GLU A 49 -13.562 9.653 9.713 1.00 0.00 C ATOM 742 OE1 GLU A 49 -13.144 10.119 8.632 1.00 0.00 O ATOM 743 OE2 GLU A 49 -13.969 10.367 10.654 1.00 0.00 O ATOM 0 H GLU A 49 -11.709 6.921 8.213 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.847 5.416 9.400 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.848 7.990 7.776 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.193 7.382 8.721 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.189 7.893 10.755 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.564 7.803 10.105 1.00 0.00 H new ATOM 750 N HIS A 50 -13.488 5.456 6.157 1.00 0.00 N ATOM 751 CA HIS A 50 -13.961 4.869 4.908 1.00 0.00 C ATOM 752 C HIS A 50 -13.704 3.365 4.883 1.00 0.00 C ATOM 753 O HIS A 50 -12.759 2.877 5.500 1.00 0.00 O ATOM 754 CB HIS A 50 -13.275 5.536 3.716 1.00 0.00 C ATOM 755 CG HIS A 50 -13.916 6.824 3.300 1.00 0.00 C ATOM 756 ND1 HIS A 50 -14.065 7.199 1.981 1.00 0.00 N ATOM 757 CD2 HIS A 50 -14.449 7.826 4.037 1.00 0.00 C ATOM 758 CE1 HIS A 50 -14.661 8.377 1.925 1.00 0.00 C ATOM 759 NE2 HIS A 50 -14.905 8.779 3.160 1.00 0.00 N ATOM 0 H HIS A 50 -12.603 5.957 6.079 1.00 0.00 H new ATOM 0 HA HIS A 50 -15.036 5.037 4.840 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.231 5.724 3.966 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -13.281 4.847 2.871 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -14.505 7.868 5.115 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.907 8.919 1.024 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -15.358 9.655 3.420 1.00 0.00 H new ATOM 768 N ASN A 51 -14.552 2.637 4.165 1.00 0.00 N ATOM 769 CA ASN A 51 -14.418 1.189 4.060 1.00 0.00 C ATOM 770 C ASN A 51 -13.643 0.804 2.803 1.00 0.00 C ATOM 771 O ASN A 51 -13.480 1.613 1.891 1.00 0.00 O ATOM 772 CB ASN A 51 -15.797 0.527 4.044 1.00 0.00 C ATOM 773 CG ASN A 51 -16.493 0.609 5.389 1.00 0.00 C ATOM 774 OD1 ASN A 51 -16.080 -0.035 6.354 1.00 0.00 O ATOM 775 ND2 ASN A 51 -17.555 1.403 5.459 1.00 0.00 N ATOM 0 H ASN A 51 -15.340 3.026 3.647 1.00 0.00 H new ATOM 0 HA ASN A 51 -13.864 0.837 4.930 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -16.418 1.006 3.287 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -15.692 -0.519 3.756 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -18.064 1.498 6.338 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -17.862 1.918 4.634 1.00 0.00 H new ATOM 782 N GLU A 52 -13.167 -0.437 2.764 1.00 0.00 N ATOM 783 CA GLU A 52 -12.409 -0.929 1.620 1.00 0.00 C ATOM 784 C GLU A 52 -13.115 -0.584 0.311 1.00 0.00 C ATOM 785 O GLU A 52 -12.496 -0.083 -0.628 1.00 0.00 O ATOM 786 CB GLU A 52 -12.213 -2.442 1.722 1.00 0.00 C ATOM 787 CG GLU A 52 -10.950 -2.843 2.467 1.00 0.00 C ATOM 788 CD GLU A 52 -11.056 -4.219 3.096 1.00 0.00 C ATOM 789 OE1 GLU A 52 -11.513 -4.308 4.255 1.00 0.00 O ATOM 790 OE2 GLU A 52 -10.681 -5.206 2.429 1.00 0.00 O ATOM 0 H GLU A 52 -13.293 -1.119 3.511 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.434 -0.442 1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -13.076 -2.879 2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.182 -2.865 0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.106 -2.827 1.778 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.742 -2.107 3.244 1.00 0.00 H new ATOM 797 N PHE A 53 -14.415 -0.856 0.257 1.00 0.00 N ATOM 798 CA PHE A 53 -15.205 -0.576 -0.936 1.00 0.00 C ATOM 799 C PHE A 53 -14.779 0.743 -1.574 1.00 0.00 C ATOM 800 O PHE A 53 -14.481 0.800 -2.766 1.00 0.00 O ATOM 801 CB PHE A 53 -16.694 -0.530 -0.587 1.00 0.00 C ATOM 802 CG PHE A 53 -17.365 -1.873 -0.640 1.00 0.00 C ATOM 803 CD1 PHE A 53 -16.993 -2.882 0.234 1.00 0.00 C ATOM 804 CD2 PHE A 53 -18.366 -2.127 -1.563 1.00 0.00 C ATOM 805 CE1 PHE A 53 -17.608 -4.119 0.187 1.00 0.00 C ATOM 806 CE2 PHE A 53 -18.985 -3.362 -1.614 1.00 0.00 C ATOM 807 CZ PHE A 53 -18.606 -4.359 -0.737 1.00 0.00 C ATOM 0 H PHE A 53 -14.943 -1.270 1.025 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.031 -1.378 -1.653 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -16.812 -0.113 0.413 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -17.199 0.147 -1.276 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -16.214 -2.700 0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -18.667 -1.351 -2.251 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -17.308 -4.898 0.873 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -19.764 -3.547 -2.339 1.00 0.00 H new ATOM 0 HZ PHE A 53 -19.089 -5.324 -0.774 1.00 0.00 H new ATOM 817 N ASN A 54 -14.755 1.801 -0.770 1.00 0.00 N ATOM 818 CA ASN A 54 -14.367 3.120 -1.256 1.00 0.00 C ATOM 819 C ASN A 54 -12.901 3.406 -0.943 1.00 0.00 C ATOM 820 O ASN A 54 -12.588 4.240 -0.093 1.00 0.00 O ATOM 821 CB ASN A 54 -15.253 4.198 -0.629 1.00 0.00 C ATOM 822 CG ASN A 54 -16.499 4.471 -1.450 1.00 0.00 C ATOM 823 OD1 ASN A 54 -17.247 3.553 -1.787 1.00 0.00 O ATOM 824 ND2 ASN A 54 -16.728 5.738 -1.774 1.00 0.00 N ATOM 0 H ASN A 54 -14.999 1.771 0.220 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.499 3.134 -2.338 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.543 3.888 0.375 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.681 5.120 -0.525 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -17.551 5.983 -2.324 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -16.081 6.466 -1.473 1.00 0.00 H new ATOM 831 N SER A 55 -12.007 2.708 -1.636 1.00 0.00 N ATOM 832 CA SER A 55 -10.574 2.884 -1.430 1.00 0.00 C ATOM 833 C SER A 55 -9.867 3.178 -2.749 1.00 0.00 C ATOM 834 O SER A 55 -10.446 3.023 -3.824 1.00 0.00 O ATOM 835 CB SER A 55 -9.973 1.634 -0.784 1.00 0.00 C ATOM 836 OG SER A 55 -10.212 0.485 -1.577 1.00 0.00 O ATOM 0 H SER A 55 -12.249 2.016 -2.345 1.00 0.00 H new ATOM 0 HA SER A 55 -10.430 3.734 -0.763 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.900 1.770 -0.650 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.402 1.491 0.208 1.00 0.00 H new ATOM 0 HG SER A 55 -10.994 0.006 -1.231 1.00 0.00 H new ATOM 842 N SER A 56 -8.611 3.604 -2.659 1.00 0.00 N ATOM 843 CA SER A 56 -7.825 3.924 -3.845 1.00 0.00 C ATOM 844 C SER A 56 -6.594 3.028 -3.939 1.00 0.00 C ATOM 845 O SER A 56 -5.949 2.734 -2.933 1.00 0.00 O ATOM 846 CB SER A 56 -7.400 5.393 -3.819 1.00 0.00 C ATOM 847 OG SER A 56 -8.527 6.250 -3.756 1.00 0.00 O ATOM 0 H SER A 56 -8.116 3.736 -1.777 1.00 0.00 H new ATOM 0 HA SER A 56 -8.448 3.749 -4.722 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.754 5.573 -2.959 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.815 5.621 -4.710 1.00 0.00 H new ATOM 0 HG SER A 56 -8.228 7.183 -3.739 1.00 0.00 H new ATOM 853 N MET A 57 -6.276 2.596 -5.155 1.00 0.00 N ATOM 854 CA MET A 57 -5.122 1.734 -5.382 1.00 0.00 C ATOM 855 C MET A 57 -4.089 2.429 -6.263 1.00 0.00 C ATOM 856 O MET A 57 -4.435 3.247 -7.115 1.00 0.00 O ATOM 857 CB MET A 57 -5.560 0.419 -6.030 1.00 0.00 C ATOM 858 CG MET A 57 -6.554 -0.369 -5.192 1.00 0.00 C ATOM 859 SD MET A 57 -7.351 -1.692 -6.123 1.00 0.00 S ATOM 860 CE MET A 57 -6.756 -3.132 -5.240 1.00 0.00 C ATOM 0 H MET A 57 -6.801 2.829 -5.998 1.00 0.00 H new ATOM 0 HA MET A 57 -4.665 1.520 -4.416 1.00 0.00 H new ATOM 0 HB2 MET A 57 -6.005 0.633 -7.002 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.680 -0.198 -6.211 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.040 -0.795 -4.330 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.316 0.308 -4.806 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.652 -3.967 -5.933 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.788 -2.910 -4.792 1.00 0.00 H new ATOM 0 HE3 MET A 57 -7.466 -3.397 -4.457 1.00 0.00 H new ATOM 870 N ALA A 58 -2.819 2.099 -6.051 1.00 0.00 N ATOM 871 CA ALA A 58 -1.736 2.690 -6.828 1.00 0.00 C ATOM 872 C ALA A 58 -0.698 1.641 -7.211 1.00 0.00 C ATOM 873 O ALA A 58 -0.405 0.731 -6.434 1.00 0.00 O ATOM 874 CB ALA A 58 -1.083 3.821 -6.047 1.00 0.00 C ATOM 0 H ALA A 58 -2.515 1.426 -5.348 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.160 3.095 -7.747 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.276 4.253 -6.639 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.825 4.589 -5.830 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.679 3.432 -5.112 1.00 0.00 H new ATOM 880 N ARG A 59 -0.146 1.772 -8.412 1.00 0.00 N ATOM 881 CA ARG A 59 0.858 0.834 -8.899 1.00 0.00 C ATOM 882 C ARG A 59 2.264 1.309 -8.543 1.00 0.00 C ATOM 883 O ARG A 59 2.562 2.501 -8.606 1.00 0.00 O ATOM 884 CB ARG A 59 0.735 0.661 -10.414 1.00 0.00 C ATOM 885 CG ARG A 59 -0.454 -0.188 -10.835 1.00 0.00 C ATOM 886 CD ARG A 59 -0.973 0.222 -12.204 1.00 0.00 C ATOM 887 NE ARG A 59 0.019 0.003 -13.254 1.00 0.00 N ATOM 888 CZ ARG A 59 0.266 -1.185 -13.796 1.00 0.00 C ATOM 889 NH1 ARG A 59 -0.404 -2.254 -13.390 1.00 0.00 N ATOM 890 NH2 ARG A 59 1.184 -1.303 -14.746 1.00 0.00 N ATOM 0 H ARG A 59 -0.377 2.519 -9.067 1.00 0.00 H new ATOM 0 HA ARG A 59 0.684 -0.127 -8.416 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.651 1.644 -10.878 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.649 0.205 -10.795 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.164 -1.239 -10.854 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.251 -0.091 -10.098 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.875 -0.344 -12.434 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.254 1.275 -12.185 1.00 0.00 H new ATOM 0 HE ARG A 59 0.551 0.806 -13.589 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.111 -2.166 -12.660 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.213 -3.165 -13.808 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.701 -0.482 -15.061 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.373 -2.215 -15.162 1.00 0.00 H new ATOM 904 N SER A 60 3.124 0.367 -8.168 1.00 0.00 N ATOM 905 CA SER A 60 4.497 0.689 -7.798 1.00 0.00 C ATOM 906 C SER A 60 5.477 -0.290 -8.439 1.00 0.00 C ATOM 907 O SER A 60 5.391 -1.498 -8.224 1.00 0.00 O ATOM 908 CB SER A 60 4.657 0.666 -6.277 1.00 0.00 C ATOM 909 OG SER A 60 5.861 1.299 -5.881 1.00 0.00 O ATOM 0 H SER A 60 2.894 -0.625 -8.112 1.00 0.00 H new ATOM 0 HA SER A 60 4.720 1.691 -8.164 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.809 1.168 -5.811 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.651 -0.365 -5.923 1.00 0.00 H new ATOM 0 HG SER A 60 6.517 0.620 -5.620 1.00 0.00 H new ATOM 915 N GLN A 61 6.405 0.243 -9.226 1.00 0.00 N ATOM 916 CA GLN A 61 7.401 -0.584 -9.899 1.00 0.00 C ATOM 917 C GLN A 61 8.565 -0.901 -8.967 1.00 0.00 C ATOM 918 O GLN A 61 9.594 -1.424 -9.396 1.00 0.00 O ATOM 919 CB GLN A 61 7.916 0.122 -11.155 1.00 0.00 C ATOM 920 CG GLN A 61 6.876 0.235 -12.259 1.00 0.00 C ATOM 921 CD GLN A 61 7.498 0.405 -13.631 1.00 0.00 C ATOM 922 OE1 GLN A 61 8.055 1.457 -13.946 1.00 0.00 O ATOM 923 NE2 GLN A 61 7.407 -0.631 -14.456 1.00 0.00 N ATOM 0 H GLN A 61 6.489 1.242 -9.414 1.00 0.00 H new ATOM 0 HA GLN A 61 6.924 -1.521 -10.187 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.258 1.121 -10.886 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.782 -0.419 -11.537 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.250 -0.657 -12.256 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.223 1.083 -12.053 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.936 -1.484 -14.154 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.808 -0.574 -15.392 1.00 0.00 H new ATOM 932 N THR A 62 8.397 -0.581 -7.687 1.00 0.00 N ATOM 933 CA THR A 62 9.434 -0.830 -6.694 1.00 0.00 C ATOM 934 C THR A 62 8.826 -1.157 -5.335 1.00 0.00 C ATOM 935 O THR A 62 7.608 -1.126 -5.166 1.00 0.00 O ATOM 936 CB THR A 62 10.373 0.382 -6.546 1.00 0.00 C ATOM 937 OG1 THR A 62 11.240 0.195 -5.422 1.00 0.00 O ATOM 938 CG2 THR A 62 9.576 1.665 -6.369 1.00 0.00 C ATOM 0 H THR A 62 7.552 -0.149 -7.314 1.00 0.00 H new ATOM 0 HA THR A 62 10.010 -1.685 -7.046 1.00 0.00 H new ATOM 0 HB THR A 62 10.969 0.465 -7.455 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.936 0.884 -5.428 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.260 2.507 -6.266 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.938 1.820 -7.239 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.958 1.589 -5.474 1.00 0.00 H new ATOM 946 N ASN A 63 9.683 -1.470 -4.368 1.00 0.00 N ATOM 947 CA ASN A 63 9.229 -1.802 -3.023 1.00 0.00 C ATOM 948 C ASN A 63 9.156 -0.554 -2.149 1.00 0.00 C ATOM 949 O ASN A 63 9.295 -0.627 -0.928 1.00 0.00 O ATOM 950 CB ASN A 63 10.167 -2.830 -2.385 1.00 0.00 C ATOM 951 CG ASN A 63 9.733 -4.257 -2.659 1.00 0.00 C ATOM 952 OD1 ASN A 63 9.515 -5.022 -1.596 1.00 0.00 O flip ATOM 953 ND2 ASN A 63 9.596 -4.665 -3.812 1.00 0.00 N flip ATOM 0 H ASN A 63 10.695 -1.501 -4.491 1.00 0.00 H new ATOM 0 HA ASN A 63 8.229 -2.229 -3.100 1.00 0.00 H new ATOM 0 HB2 ASN A 63 11.178 -2.681 -2.765 1.00 0.00 H new ATOM 0 HB3 ASN A 63 10.204 -2.665 -1.308 1.00 0.00 H new ATOM 0 HD21 ASN A 63 9.775 -4.041 -4.599 1.00 0.00 H new ATOM 0 HD22 ASN A 63 9.304 -5.627 -3.981 1.00 0.00 H new ATOM 960 N THR A 64 8.935 0.594 -2.784 1.00 0.00 N ATOM 961 CA THR A 64 8.843 1.859 -2.066 1.00 0.00 C ATOM 962 C THR A 64 7.996 2.866 -2.834 1.00 0.00 C ATOM 963 O THR A 64 8.302 3.206 -3.977 1.00 0.00 O ATOM 964 CB THR A 64 10.237 2.464 -1.813 1.00 0.00 C ATOM 965 OG1 THR A 64 10.116 3.675 -1.059 1.00 0.00 O ATOM 966 CG2 THR A 64 10.950 2.748 -3.127 1.00 0.00 C ATOM 0 H THR A 64 8.817 0.673 -3.794 1.00 0.00 H new ATOM 0 HA THR A 64 8.369 1.645 -1.108 1.00 0.00 H new ATOM 0 HB THR A 64 10.825 1.742 -1.247 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.007 4.052 -0.901 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.932 3.175 -2.923 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.067 1.819 -3.686 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.363 3.454 -3.715 1.00 0.00 H new ATOM 974 N ALA A 65 6.930 3.342 -2.199 1.00 0.00 N ATOM 975 CA ALA A 65 6.039 4.313 -2.823 1.00 0.00 C ATOM 976 C ALA A 65 5.456 5.268 -1.786 1.00 0.00 C ATOM 977 O ALA A 65 5.354 4.931 -0.606 1.00 0.00 O ATOM 978 CB ALA A 65 4.924 3.602 -3.574 1.00 0.00 C ATOM 0 H ALA A 65 6.662 3.071 -1.253 1.00 0.00 H new ATOM 0 HA ALA A 65 6.622 4.900 -3.533 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.267 4.340 -4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.354 2.966 -4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.350 2.989 -2.879 1.00 0.00 H new ATOM 984 N ARG A 66 5.077 6.460 -2.234 1.00 0.00 N ATOM 985 CA ARG A 66 4.506 7.464 -1.344 1.00 0.00 C ATOM 986 C ARG A 66 3.059 7.767 -1.723 1.00 0.00 C ATOM 987 O ARG A 66 2.749 7.997 -2.893 1.00 0.00 O ATOM 988 CB ARG A 66 5.336 8.748 -1.390 1.00 0.00 C ATOM 989 CG ARG A 66 4.629 9.952 -0.789 1.00 0.00 C ATOM 990 CD ARG A 66 5.330 11.251 -1.157 1.00 0.00 C ATOM 991 NE ARG A 66 6.513 11.487 -0.334 1.00 0.00 N ATOM 992 CZ ARG A 66 7.074 12.681 -0.178 1.00 0.00 C ATOM 993 NH1 ARG A 66 6.561 13.742 -0.786 1.00 0.00 N ATOM 994 NH2 ARG A 66 8.149 12.816 0.587 1.00 0.00 N ATOM 0 H ARG A 66 5.155 6.754 -3.208 1.00 0.00 H new ATOM 0 HA ARG A 66 4.522 7.065 -0.330 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.273 8.584 -0.858 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.593 8.968 -2.426 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.597 9.982 -1.140 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.594 9.851 0.296 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.619 11.222 -2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.636 12.083 -1.041 1.00 0.00 H new ATOM 0 HE ARG A 66 6.932 10.691 0.148 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.734 13.642 -1.375 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.993 14.658 -0.665 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.546 12.002 1.057 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.579 13.734 0.706 1.00 0.00 H new ATOM 1008 N ILE A 67 2.179 7.766 -0.728 1.00 0.00 N ATOM 1009 CA ILE A 67 0.766 8.041 -0.958 1.00 0.00 C ATOM 1010 C ILE A 67 0.479 9.537 -0.886 1.00 0.00 C ATOM 1011 O ILE A 67 0.749 10.183 0.126 1.00 0.00 O ATOM 1012 CB ILE A 67 -0.123 7.309 0.065 1.00 0.00 C ATOM 1013 CG1 ILE A 67 0.364 5.872 0.261 1.00 0.00 C ATOM 1014 CG2 ILE A 67 -1.575 7.325 -0.389 1.00 0.00 C ATOM 1015 CD1 ILE A 67 0.231 5.014 -0.978 1.00 0.00 C ATOM 0 H ILE A 67 2.419 7.578 0.245 1.00 0.00 H new ATOM 0 HA ILE A 67 0.531 7.676 -1.958 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.056 7.829 1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.409 5.890 0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.200 5.413 1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.191 6.804 0.344 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.916 8.356 -0.482 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.660 6.826 -1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.595 4.009 -0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.816 4.965 -1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.818 5.449 -1.787 1.00 0.00 H new ATOM 1027 N ASP A 68 -0.072 10.080 -1.966 1.00 0.00 N ATOM 1028 CA ASP A 68 -0.400 11.499 -2.025 1.00 0.00 C ATOM 1029 C ASP A 68 -1.909 11.706 -2.106 1.00 0.00 C ATOM 1030 O ASP A 68 -2.628 10.888 -2.678 1.00 0.00 O ATOM 1031 CB ASP A 68 0.282 12.152 -3.229 1.00 0.00 C ATOM 1032 CG ASP A 68 0.058 11.376 -4.512 1.00 0.00 C ATOM 1033 OD1 ASP A 68 -1.003 11.565 -5.143 1.00 0.00 O ATOM 1034 OD2 ASP A 68 0.945 10.580 -4.885 1.00 0.00 O ATOM 0 H ASP A 68 -0.301 9.559 -2.812 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.036 11.969 -1.111 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.096 13.167 -3.351 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.352 12.231 -3.038 1.00 0.00 H new ATOM 1039 N GLY A 69 -2.383 12.806 -1.527 1.00 0.00 N ATOM 1040 CA GLY A 69 -3.804 13.099 -1.543 1.00 0.00 C ATOM 1041 C GLY A 69 -4.468 12.823 -0.209 1.00 0.00 C ATOM 1042 O GLY A 69 -5.532 12.205 -0.153 1.00 0.00 O ATOM 0 H GLY A 69 -1.808 13.499 -1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.953 14.145 -1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.286 12.501 -2.316 1.00 0.00 H new ATOM 1046 N LEU A 70 -3.839 13.279 0.869 1.00 0.00 N ATOM 1047 CA LEU A 70 -4.375 13.076 2.210 1.00 0.00 C ATOM 1048 C LEU A 70 -4.370 14.380 3.002 1.00 0.00 C ATOM 1049 O LEU A 70 -3.692 15.339 2.633 1.00 0.00 O ATOM 1050 CB LEU A 70 -3.562 12.014 2.951 1.00 0.00 C ATOM 1051 CG LEU A 70 -3.122 10.806 2.122 1.00 0.00 C ATOM 1052 CD1 LEU A 70 -2.098 9.980 2.884 1.00 0.00 C ATOM 1053 CD2 LEU A 70 -4.324 9.953 1.744 1.00 0.00 C ATOM 0 H LEU A 70 -2.958 13.792 0.840 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.406 12.734 2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.672 12.489 3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.153 11.655 3.794 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.656 11.168 1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.797 9.125 2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.225 10.595 3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.537 9.627 3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.993 9.098 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.819 9.600 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.023 10.549 1.157 1.00 0.00 H new ATOM 1065 N ARG A 71 -5.129 14.408 4.092 1.00 0.00 N ATOM 1066 CA ARG A 71 -5.211 15.594 4.937 1.00 0.00 C ATOM 1067 C ARG A 71 -4.317 15.449 6.165 1.00 0.00 C ATOM 1068 O ARG A 71 -3.988 14.344 6.597 1.00 0.00 O ATOM 1069 CB ARG A 71 -6.657 15.838 5.370 1.00 0.00 C ATOM 1070 CG ARG A 71 -7.524 16.450 4.282 1.00 0.00 C ATOM 1071 CD ARG A 71 -7.262 17.940 4.133 1.00 0.00 C ATOM 1072 NE ARG A 71 -7.971 18.725 5.140 1.00 0.00 N ATOM 1073 CZ ARG A 71 -9.292 18.868 5.163 1.00 0.00 C ATOM 1074 NH1 ARG A 71 -10.042 18.282 4.241 1.00 0.00 N ATOM 1075 NH2 ARG A 71 -9.864 19.598 6.112 1.00 0.00 N ATOM 0 H ARG A 71 -5.696 13.623 4.411 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.864 16.449 4.356 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.098 14.892 5.685 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.661 16.496 6.239 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.328 15.949 3.334 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.575 16.286 4.518 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.192 18.129 4.214 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.569 18.264 3.139 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.423 19.188 5.865 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.606 17.719 3.511 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -11.056 18.394 4.262 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.290 20.049 6.824 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.878 19.708 6.130 1.00 0.00 H new ATOM 1089 N PRO A 72 -3.915 16.591 6.742 1.00 0.00 N ATOM 1090 CA PRO A 72 -3.055 16.618 7.929 1.00 0.00 C ATOM 1091 C PRO A 72 -3.775 16.126 9.179 1.00 0.00 C ATOM 1092 O PRO A 72 -4.953 16.418 9.384 1.00 0.00 O ATOM 1093 CB PRO A 72 -2.690 18.098 8.069 1.00 0.00 C ATOM 1094 CG PRO A 72 -3.808 18.828 7.407 1.00 0.00 C ATOM 1095 CD PRO A 72 -4.269 17.944 6.281 1.00 0.00 C ATOM 0 HA PRO A 72 -2.192 15.960 7.822 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.595 18.385 9.116 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.736 18.317 7.590 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.619 19.020 8.110 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.475 19.796 7.032 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.341 18.041 6.107 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.770 18.193 5.345 1.00 0.00 H new ATOM 1103 N GLY A 73 -3.060 15.377 10.013 1.00 0.00 N ATOM 1104 CA GLY A 73 -3.649 14.856 11.233 1.00 0.00 C ATOM 1105 C GLY A 73 -4.749 13.849 10.962 1.00 0.00 C ATOM 1106 O GLY A 73 -5.811 13.899 11.582 1.00 0.00 O ATOM 0 H GLY A 73 -2.084 15.122 9.866 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.872 14.387 11.836 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.053 15.682 11.819 1.00 0.00 H new ATOM 1110 N MET A 74 -4.496 12.934 10.032 1.00 0.00 N ATOM 1111 CA MET A 74 -5.475 11.912 9.680 1.00 0.00 C ATOM 1112 C MET A 74 -4.795 10.568 9.440 1.00 0.00 C ATOM 1113 O MET A 74 -3.707 10.506 8.866 1.00 0.00 O ATOM 1114 CB MET A 74 -6.257 12.331 8.434 1.00 0.00 C ATOM 1115 CG MET A 74 -7.489 13.167 8.742 1.00 0.00 C ATOM 1116 SD MET A 74 -8.801 12.946 7.525 1.00 0.00 S ATOM 1117 CE MET A 74 -9.433 11.339 7.997 1.00 0.00 C ATOM 0 H MET A 74 -3.622 12.879 9.509 1.00 0.00 H new ATOM 0 HA MET A 74 -6.167 11.805 10.515 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.599 12.898 7.776 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.561 11.438 7.889 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.866 12.901 9.729 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.209 14.220 8.781 1.00 0.00 H new ATOM 0 HE1 MET A 74 -9.345 10.652 7.155 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.858 10.955 8.840 1.00 0.00 H new ATOM 0 HE3 MET A 74 -10.481 11.430 8.283 1.00 0.00 H new ATOM 1127 N VAL A 75 -5.442 9.494 9.882 1.00 0.00 N ATOM 1128 CA VAL A 75 -4.899 8.152 9.714 1.00 0.00 C ATOM 1129 C VAL A 75 -5.431 7.499 8.443 1.00 0.00 C ATOM 1130 O VAL A 75 -6.614 7.614 8.122 1.00 0.00 O ATOM 1131 CB VAL A 75 -5.238 7.254 10.919 1.00 0.00 C ATOM 1132 CG1 VAL A 75 -4.618 5.876 10.750 1.00 0.00 C ATOM 1133 CG2 VAL A 75 -4.772 7.903 12.213 1.00 0.00 C ATOM 0 H VAL A 75 -6.343 9.528 10.359 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.816 8.256 9.641 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.320 7.134 10.968 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.868 5.256 11.611 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.006 5.411 9.843 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.535 5.971 10.674 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.019 7.256 13.054 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.693 8.054 12.176 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.269 8.865 12.337 1.00 0.00 H new ATOM 1143 N TYR A 76 -4.549 6.815 7.722 1.00 0.00 N ATOM 1144 CA TYR A 76 -4.929 6.145 6.484 1.00 0.00 C ATOM 1145 C TYR A 76 -4.379 4.723 6.443 1.00 0.00 C ATOM 1146 O TYR A 76 -3.166 4.513 6.439 1.00 0.00 O ATOM 1147 CB TYR A 76 -4.422 6.935 5.276 1.00 0.00 C ATOM 1148 CG TYR A 76 -5.029 8.314 5.156 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -4.682 9.327 6.041 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -5.949 8.605 4.156 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -5.235 10.589 5.935 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -6.506 9.864 4.042 1.00 0.00 C ATOM 1153 CZ TYR A 76 -6.146 10.852 4.934 1.00 0.00 C ATOM 1154 OH TYR A 76 -6.699 12.108 4.824 1.00 0.00 O ATOM 0 H TYR A 76 -3.566 6.710 7.974 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.017 6.095 6.447 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.338 7.029 5.343 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.638 6.372 4.368 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -3.968 9.125 6.825 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.233 7.834 3.456 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.955 11.365 6.632 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.219 10.073 3.259 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.271 12.283 5.600 1.00 0.00 H new ATOM 1164 N VAL A 77 -5.282 3.747 6.413 1.00 0.00 N ATOM 1165 CA VAL A 77 -4.890 2.344 6.370 1.00 0.00 C ATOM 1166 C VAL A 77 -4.295 1.980 5.014 1.00 0.00 C ATOM 1167 O VAL A 77 -5.015 1.841 4.026 1.00 0.00 O ATOM 1168 CB VAL A 77 -6.086 1.418 6.659 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -5.662 -0.041 6.585 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -6.690 1.737 8.018 1.00 0.00 C ATOM 0 H VAL A 77 -6.290 3.903 6.418 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.135 2.203 7.144 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.848 1.589 5.898 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.520 -0.680 6.792 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.280 -0.259 5.588 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.882 -0.231 7.322 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.534 1.073 8.206 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.937 1.595 8.793 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.033 2.772 8.030 1.00 0.00 H new ATOM 1180 N VAL A 78 -2.975 1.826 4.975 1.00 0.00 N ATOM 1181 CA VAL A 78 -2.283 1.477 3.740 1.00 0.00 C ATOM 1182 C VAL A 78 -1.851 0.015 3.748 1.00 0.00 C ATOM 1183 O VAL A 78 -1.559 -0.550 4.801 1.00 0.00 O ATOM 1184 CB VAL A 78 -1.045 2.366 3.520 1.00 0.00 C ATOM 1185 CG1 VAL A 78 -0.415 2.079 2.166 1.00 0.00 C ATOM 1186 CG2 VAL A 78 -1.416 3.836 3.644 1.00 0.00 C ATOM 0 H VAL A 78 -2.364 1.937 5.784 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.987 1.641 2.924 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.311 2.134 4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.458 2.717 2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.111 1.033 2.120 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.140 2.281 1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.529 4.450 3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.168 4.086 2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.817 4.027 4.639 1.00 0.00 H new ATOM 1196 N GLN A 79 -1.812 -0.591 2.565 1.00 0.00 N ATOM 1197 CA GLN A 79 -1.415 -1.988 2.436 1.00 0.00 C ATOM 1198 C GLN A 79 -0.853 -2.268 1.046 1.00 0.00 C ATOM 1199 O GLN A 79 -1.237 -1.625 0.069 1.00 0.00 O ATOM 1200 CB GLN A 79 -2.607 -2.906 2.712 1.00 0.00 C ATOM 1201 CG GLN A 79 -2.922 -3.066 4.190 1.00 0.00 C ATOM 1202 CD GLN A 79 -4.116 -3.967 4.438 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -5.265 -3.550 4.288 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -3.851 -5.211 4.818 1.00 0.00 N ATOM 0 H GLN A 79 -2.050 -0.137 1.683 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.634 -2.187 3.170 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.486 -2.510 2.203 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.406 -3.888 2.284 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.051 -3.475 4.701 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.115 -2.085 4.625 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.884 -5.515 4.930 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.615 -5.863 4.998 1.00 0.00 H new ATOM 1213 N VAL A 80 0.060 -3.231 0.965 1.00 0.00 N ATOM 1214 CA VAL A 80 0.674 -3.597 -0.306 1.00 0.00 C ATOM 1215 C VAL A 80 0.589 -5.100 -0.545 1.00 0.00 C ATOM 1216 O VAL A 80 0.660 -5.893 0.394 1.00 0.00 O ATOM 1217 CB VAL A 80 2.151 -3.163 -0.360 1.00 0.00 C ATOM 1218 CG1 VAL A 80 2.959 -3.879 0.711 1.00 0.00 C ATOM 1219 CG2 VAL A 80 2.732 -3.424 -1.742 1.00 0.00 C ATOM 0 H VAL A 80 0.391 -3.772 1.764 1.00 0.00 H new ATOM 0 HA VAL A 80 0.120 -3.076 -1.087 1.00 0.00 H new ATOM 0 HB VAL A 80 2.204 -2.092 -0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.000 -3.559 0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.556 -3.636 1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.902 -4.956 0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.776 -3.112 -1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.667 -4.488 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.170 -2.859 -2.486 1.00 0.00 H new ATOM 1229 N ARG A 81 0.436 -5.485 -1.808 1.00 0.00 N ATOM 1230 CA ARG A 81 0.340 -6.894 -2.171 1.00 0.00 C ATOM 1231 C ARG A 81 1.254 -7.215 -3.350 1.00 0.00 C ATOM 1232 O ARG A 81 1.752 -6.314 -4.025 1.00 0.00 O ATOM 1233 CB ARG A 81 -1.105 -7.256 -2.519 1.00 0.00 C ATOM 1234 CG ARG A 81 -1.534 -6.789 -3.900 1.00 0.00 C ATOM 1235 CD ARG A 81 -3.009 -7.061 -4.147 1.00 0.00 C ATOM 1236 NE ARG A 81 -3.562 -6.189 -5.180 1.00 0.00 N ATOM 1237 CZ ARG A 81 -3.645 -4.868 -5.060 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -3.213 -4.271 -3.957 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -4.160 -4.143 -6.044 1.00 0.00 N ATOM 0 H ARG A 81 0.376 -4.841 -2.597 1.00 0.00 H new ATOM 0 HA ARG A 81 0.659 -7.487 -1.314 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.225 -8.338 -2.457 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.770 -6.819 -1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.338 -5.722 -4.001 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.937 -7.296 -4.658 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.141 -8.102 -4.443 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.564 -6.921 -3.219 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.903 -6.617 -6.041 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.816 -4.826 -3.199 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.278 -3.257 -3.867 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.493 -4.599 -6.893 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.223 -3.129 -5.951 1.00 0.00 H new ATOM 1253 N ALA A 82 1.471 -8.504 -3.590 1.00 0.00 N ATOM 1254 CA ALA A 82 2.323 -8.943 -4.688 1.00 0.00 C ATOM 1255 C ALA A 82 1.496 -9.552 -5.815 1.00 0.00 C ATOM 1256 O ALA A 82 0.593 -10.352 -5.573 1.00 0.00 O ATOM 1257 CB ALA A 82 3.354 -9.945 -4.187 1.00 0.00 C ATOM 0 H ALA A 82 1.069 -9.262 -3.039 1.00 0.00 H new ATOM 0 HA ALA A 82 2.842 -8.070 -5.084 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.984 -10.265 -5.017 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.973 -9.478 -3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.844 -10.811 -3.764 1.00 0.00 H new ATOM 1263 N ARG A 83 1.811 -9.167 -7.048 1.00 0.00 N ATOM 1264 CA ARG A 83 1.095 -9.673 -8.212 1.00 0.00 C ATOM 1265 C ARG A 83 2.056 -10.333 -9.197 1.00 0.00 C ATOM 1266 O ARG A 83 3.202 -9.906 -9.345 1.00 0.00 O ATOM 1267 CB ARG A 83 0.338 -8.539 -8.905 1.00 0.00 C ATOM 1268 CG ARG A 83 -0.368 -8.968 -10.181 1.00 0.00 C ATOM 1269 CD ARG A 83 0.524 -8.788 -11.399 1.00 0.00 C ATOM 1270 NE ARG A 83 0.738 -7.378 -11.716 1.00 0.00 N ATOM 1271 CZ ARG A 83 -0.119 -6.644 -12.416 1.00 0.00 C ATOM 1272 NH1 ARG A 83 -1.243 -7.182 -12.868 1.00 0.00 N ATOM 1273 NH2 ARG A 83 0.147 -5.367 -12.663 1.00 0.00 N ATOM 0 H ARG A 83 2.557 -8.507 -7.266 1.00 0.00 H new ATOM 0 HA ARG A 83 0.381 -10.422 -7.870 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.398 -8.129 -8.213 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.038 -7.737 -9.139 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.667 -10.013 -10.099 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.280 -8.385 -10.307 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.485 -9.269 -11.219 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.073 -9.288 -12.256 1.00 0.00 H new ATOM 0 HE ARG A 83 1.593 -6.933 -11.381 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.452 -8.162 -12.678 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.899 -6.616 -13.405 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.010 -4.949 -12.315 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.512 -4.804 -13.201 1.00 0.00 H new ATOM 1287 N THR A 84 1.583 -11.378 -9.868 1.00 0.00 N ATOM 1288 CA THR A 84 2.400 -12.098 -10.837 1.00 0.00 C ATOM 1289 C THR A 84 1.578 -12.506 -12.055 1.00 0.00 C ATOM 1290 O THR A 84 0.399 -12.166 -12.163 1.00 0.00 O ATOM 1291 CB THR A 84 3.032 -13.357 -10.214 1.00 0.00 C ATOM 1292 OG1 THR A 84 2.013 -14.317 -9.909 1.00 0.00 O ATOM 1293 CG2 THR A 84 3.800 -13.007 -8.948 1.00 0.00 C ATOM 0 H THR A 84 0.638 -11.745 -9.758 1.00 0.00 H new ATOM 0 HA THR A 84 3.193 -11.418 -11.148 1.00 0.00 H new ATOM 0 HB THR A 84 3.728 -13.783 -10.937 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.423 -15.115 -9.515 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.237 -13.912 -8.526 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.593 -12.298 -9.188 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.121 -12.560 -8.222 1.00 0.00 H new ATOM 1301 N VAL A 85 2.207 -13.237 -12.970 1.00 0.00 N ATOM 1302 CA VAL A 85 1.533 -13.692 -14.179 1.00 0.00 C ATOM 1303 C VAL A 85 0.379 -14.631 -13.845 1.00 0.00 C ATOM 1304 O VAL A 85 -0.392 -15.020 -14.722 1.00 0.00 O ATOM 1305 CB VAL A 85 2.508 -14.414 -15.128 1.00 0.00 C ATOM 1306 CG1 VAL A 85 2.945 -15.745 -14.534 1.00 0.00 C ATOM 1307 CG2 VAL A 85 1.872 -14.614 -16.495 1.00 0.00 C ATOM 0 H VAL A 85 3.182 -13.526 -12.896 1.00 0.00 H new ATOM 0 HA VAL A 85 1.143 -12.804 -14.677 1.00 0.00 H new ATOM 0 HB VAL A 85 3.394 -13.791 -15.253 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.633 -16.240 -15.219 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.444 -15.572 -13.580 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.071 -16.378 -14.377 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.575 -15.126 -17.152 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.969 -15.215 -16.392 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.615 -13.645 -16.922 1.00 0.00 H new ATOM 1317 N ALA A 86 0.266 -14.990 -12.571 1.00 0.00 N ATOM 1318 CA ALA A 86 -0.796 -15.881 -12.120 1.00 0.00 C ATOM 1319 C ALA A 86 -1.972 -15.092 -11.553 1.00 0.00 C ATOM 1320 O ALA A 86 -3.117 -15.535 -11.616 1.00 0.00 O ATOM 1321 CB ALA A 86 -0.262 -16.855 -11.079 1.00 0.00 C ATOM 0 H ALA A 86 0.897 -14.678 -11.833 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.152 -16.445 -12.982 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.066 -17.514 -10.751 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.540 -17.450 -11.515 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.123 -16.299 -10.224 1.00 0.00 H new ATOM 1327 N GLY A 87 -1.679 -13.919 -11.000 1.00 0.00 N ATOM 1328 CA GLY A 87 -2.723 -13.087 -10.430 1.00 0.00 C ATOM 1329 C GLY A 87 -2.217 -12.218 -9.295 1.00 0.00 C ATOM 1330 O GLY A 87 -1.009 -12.094 -9.090 1.00 0.00 O ATOM 0 H GLY A 87 -0.738 -13.530 -10.936 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.144 -12.452 -11.210 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.531 -13.722 -10.065 1.00 0.00 H new ATOM 1334 N TYR A 88 -3.142 -11.615 -8.557 1.00 0.00 N ATOM 1335 CA TYR A 88 -2.783 -10.749 -7.440 1.00 0.00 C ATOM 1336 C TYR A 88 -2.822 -11.517 -6.122 1.00 0.00 C ATOM 1337 O TYR A 88 -3.695 -12.356 -5.904 1.00 0.00 O ATOM 1338 CB TYR A 88 -3.729 -9.550 -7.372 1.00 0.00 C ATOM 1339 CG TYR A 88 -3.349 -8.425 -8.309 1.00 0.00 C ATOM 1340 CD1 TYR A 88 -3.753 -8.437 -9.639 1.00 0.00 C ATOM 1341 CD2 TYR A 88 -2.586 -7.352 -7.865 1.00 0.00 C ATOM 1342 CE1 TYR A 88 -3.407 -7.413 -10.499 1.00 0.00 C ATOM 1343 CE2 TYR A 88 -2.238 -6.323 -8.718 1.00 0.00 C ATOM 1344 CZ TYR A 88 -2.651 -6.358 -10.034 1.00 0.00 C ATOM 1345 OH TYR A 88 -2.304 -5.335 -10.887 1.00 0.00 O ATOM 0 H TYR A 88 -4.146 -11.710 -8.712 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.766 -10.392 -7.602 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.740 -9.882 -7.607 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.748 -9.170 -6.350 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.347 -9.261 -10.006 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.260 -7.322 -6.836 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.727 -7.439 -11.530 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.646 -5.495 -8.357 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.313 -4.485 -10.399 1.00 0.00 H new ATOM 1355 N GLY A 89 -1.868 -11.222 -5.244 1.00 0.00 N ATOM 1356 CA GLY A 89 -1.810 -11.891 -3.957 1.00 0.00 C ATOM 1357 C GLY A 89 -2.478 -11.091 -2.857 1.00 0.00 C ATOM 1358 O GLY A 89 -2.854 -9.936 -3.058 1.00 0.00 O ATOM 0 H GLY A 89 -1.134 -10.531 -5.401 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.291 -12.866 -4.036 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.768 -12.070 -3.691 1.00 0.00 H new ATOM 1362 N LYS A 90 -2.630 -11.707 -1.689 1.00 0.00 N ATOM 1363 CA LYS A 90 -3.258 -11.046 -0.551 1.00 0.00 C ATOM 1364 C LYS A 90 -2.447 -9.830 -0.113 1.00 0.00 C ATOM 1365 O LYS A 90 -1.379 -9.554 -0.659 1.00 0.00 O ATOM 1366 CB LYS A 90 -3.403 -12.024 0.617 1.00 0.00 C ATOM 1367 CG LYS A 90 -2.270 -13.030 0.712 1.00 0.00 C ATOM 1368 CD LYS A 90 -0.913 -12.355 0.595 1.00 0.00 C ATOM 1369 CE LYS A 90 0.194 -13.368 0.345 1.00 0.00 C ATOM 1370 NZ LYS A 90 0.016 -14.598 1.165 1.00 0.00 N ATOM 0 H LYS A 90 -2.327 -12.663 -1.506 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.248 -10.709 -0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.456 -11.460 1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -4.346 -12.560 0.516 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.332 -13.561 1.662 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.376 -13.775 -0.077 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.935 -11.630 -0.219 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.701 -11.801 1.509 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.210 -13.635 -0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.159 -12.915 0.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.910 -15.129 1.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.260 -14.334 2.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.726 -15.192 0.743 1.00 0.00 H new ATOM 1384 N PHE A 91 -2.961 -9.108 0.877 1.00 0.00 N ATOM 1385 CA PHE A 91 -2.284 -7.922 1.390 1.00 0.00 C ATOM 1386 C PHE A 91 -1.461 -8.259 2.630 1.00 0.00 C ATOM 1387 O PHE A 91 -1.723 -9.249 3.312 1.00 0.00 O ATOM 1388 CB PHE A 91 -3.304 -6.830 1.722 1.00 0.00 C ATOM 1389 CG PHE A 91 -3.795 -6.082 0.515 1.00 0.00 C ATOM 1390 CD1 PHE A 91 -3.053 -5.041 -0.020 1.00 0.00 C ATOM 1391 CD2 PHE A 91 -4.998 -6.419 -0.083 1.00 0.00 C ATOM 1392 CE1 PHE A 91 -3.503 -4.351 -1.129 1.00 0.00 C ATOM 1393 CE2 PHE A 91 -5.453 -5.732 -1.193 1.00 0.00 C ATOM 1394 CZ PHE A 91 -4.703 -4.697 -1.717 1.00 0.00 C ATOM 0 H PHE A 91 -3.844 -9.323 1.340 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.609 -7.556 0.616 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.155 -7.282 2.231 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -2.854 -6.123 2.419 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.113 -4.766 0.435 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.587 -7.228 0.323 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.916 -3.541 -1.536 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.393 -6.004 -1.650 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.055 -4.160 -2.585 1.00 0.00 H new ATOM 1404 N SER A 92 -0.464 -7.427 2.914 1.00 0.00 N ATOM 1405 CA SER A 92 0.402 -7.638 4.069 1.00 0.00 C ATOM 1406 C SER A 92 -0.332 -7.308 5.365 1.00 0.00 C ATOM 1407 O SER A 92 -1.489 -6.891 5.348 1.00 0.00 O ATOM 1408 CB SER A 92 1.663 -6.781 3.951 1.00 0.00 C ATOM 1409 OG SER A 92 1.336 -5.412 3.788 1.00 0.00 O ATOM 0 H SER A 92 -0.236 -6.601 2.361 1.00 0.00 H new ATOM 0 HA SER A 92 0.688 -8.690 4.091 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.277 -6.908 4.842 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.258 -7.119 3.103 1.00 0.00 H new ATOM 0 HG SER A 92 2.102 -4.936 3.405 1.00 0.00 H new ATOM 1415 N GLY A 93 0.351 -7.499 6.490 1.00 0.00 N ATOM 1416 CA GLY A 93 -0.251 -7.217 7.780 1.00 0.00 C ATOM 1417 C GLY A 93 -0.792 -5.804 7.871 1.00 0.00 C ATOM 1418 O GLY A 93 -0.033 -4.836 7.817 1.00 0.00 O ATOM 0 H GLY A 93 1.310 -7.844 6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.060 -7.925 7.963 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.490 -7.370 8.565 1.00 0.00 H new ATOM 1422 N LYS A 94 -2.108 -5.684 8.009 1.00 0.00 N ATOM 1423 CA LYS A 94 -2.751 -4.379 8.107 1.00 0.00 C ATOM 1424 C LYS A 94 -1.971 -3.457 9.038 1.00 0.00 C ATOM 1425 O LYS A 94 -1.462 -3.889 10.072 1.00 0.00 O ATOM 1426 CB LYS A 94 -4.188 -4.533 8.611 1.00 0.00 C ATOM 1427 CG LYS A 94 -5.206 -4.716 7.499 1.00 0.00 C ATOM 1428 CD LYS A 94 -6.613 -4.876 8.051 1.00 0.00 C ATOM 1429 CE LYS A 94 -7.663 -4.649 6.975 1.00 0.00 C ATOM 1430 NZ LYS A 94 -9.005 -4.374 7.559 1.00 0.00 N ATOM 0 H LYS A 94 -2.750 -6.475 8.056 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.767 -3.933 7.112 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.239 -5.390 9.283 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.455 -3.653 9.196 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.173 -3.857 6.829 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.945 -5.593 6.906 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.729 -5.876 8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.768 -4.169 8.866 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.362 -3.812 6.345 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.720 -5.527 6.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.693 -4.225 6.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.303 -5.184 8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.957 -3.521 8.152 1.00 0.00 H new ATOM 1444 N MET A 95 -1.883 -2.184 8.666 1.00 0.00 N ATOM 1445 CA MET A 95 -1.167 -1.200 9.470 1.00 0.00 C ATOM 1446 C MET A 95 -1.802 0.180 9.333 1.00 0.00 C ATOM 1447 O MET A 95 -2.467 0.471 8.338 1.00 0.00 O ATOM 1448 CB MET A 95 0.304 -1.142 9.052 1.00 0.00 C ATOM 1449 CG MET A 95 1.239 -0.727 10.177 1.00 0.00 C ATOM 1450 SD MET A 95 2.977 -0.943 9.750 1.00 0.00 S ATOM 1451 CE MET A 95 3.050 -2.717 9.515 1.00 0.00 C ATOM 0 H MET A 95 -2.299 -1.810 7.813 1.00 0.00 H new ATOM 0 HA MET A 95 -1.229 -1.506 10.514 1.00 0.00 H new ATOM 0 HB2 MET A 95 0.607 -2.121 8.681 1.00 0.00 H new ATOM 0 HB3 MET A 95 0.411 -0.441 8.224 1.00 0.00 H new ATOM 0 HG2 MET A 95 1.058 0.318 10.428 1.00 0.00 H new ATOM 0 HG3 MET A 95 1.012 -1.313 11.068 1.00 0.00 H new ATOM 0 HE1 MET A 95 4.091 -3.036 9.475 1.00 0.00 H new ATOM 0 HE2 MET A 95 2.550 -3.215 10.346 1.00 0.00 H new ATOM 0 HE3 MET A 95 2.553 -2.981 8.581 1.00 0.00 H new ATOM 1461 N CYS A 96 -1.592 1.025 10.336 1.00 0.00 N ATOM 1462 CA CYS A 96 -2.146 2.374 10.328 1.00 0.00 C ATOM 1463 C CYS A 96 -1.034 3.417 10.270 1.00 0.00 C ATOM 1464 O CYS A 96 -0.065 3.349 11.026 1.00 0.00 O ATOM 1465 CB CYS A 96 -3.011 2.601 11.568 1.00 0.00 C ATOM 1466 SG CYS A 96 -2.112 2.459 13.131 1.00 0.00 S ATOM 0 H CYS A 96 -1.042 0.800 11.165 1.00 0.00 H new ATOM 0 HA CYS A 96 -2.767 2.480 9.438 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -3.460 3.592 11.508 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -3.829 1.880 11.565 1.00 0.00 H new ATOM 0 HG CYS A 96 -0.867 2.785 12.947 1.00 0.00 H new ATOM 1472 N PHE A 97 -1.180 4.381 9.367 1.00 0.00 N ATOM 1473 CA PHE A 97 -0.187 5.437 9.208 1.00 0.00 C ATOM 1474 C PHE A 97 -0.855 6.808 9.153 1.00 0.00 C ATOM 1475 O PHE A 97 -1.671 7.076 8.271 1.00 0.00 O ATOM 1476 CB PHE A 97 0.635 5.206 7.939 1.00 0.00 C ATOM 1477 CG PHE A 97 1.107 3.789 7.779 1.00 0.00 C ATOM 1478 CD1 PHE A 97 2.131 3.293 8.570 1.00 0.00 C ATOM 1479 CD2 PHE A 97 0.527 2.954 6.838 1.00 0.00 C ATOM 1480 CE1 PHE A 97 2.567 1.989 8.426 1.00 0.00 C ATOM 1481 CE2 PHE A 97 0.959 1.650 6.689 1.00 0.00 C ATOM 1482 CZ PHE A 97 1.981 1.167 7.484 1.00 0.00 C ATOM 0 H PHE A 97 -1.977 4.453 8.734 1.00 0.00 H new ATOM 0 HA PHE A 97 0.477 5.411 10.072 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.034 5.480 7.072 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.500 5.869 7.950 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.594 3.932 9.307 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -0.272 3.326 6.214 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.365 1.614 9.050 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.498 1.009 5.952 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.321 0.148 7.369 1.00 0.00 H new ATOM 1492 N GLN A 98 -0.503 7.669 10.102 1.00 0.00 N ATOM 1493 CA GLN A 98 -1.070 9.012 10.162 1.00 0.00 C ATOM 1494 C GLN A 98 -0.098 10.039 9.589 1.00 0.00 C ATOM 1495 O GLN A 98 1.116 9.833 9.596 1.00 0.00 O ATOM 1496 CB GLN A 98 -1.421 9.375 11.605 1.00 0.00 C ATOM 1497 CG GLN A 98 -0.242 9.285 12.560 1.00 0.00 C ATOM 1498 CD GLN A 98 -0.397 10.190 13.767 1.00 0.00 C ATOM 1499 OE1 GLN A 98 0.251 11.233 13.862 1.00 0.00 O ATOM 1500 NE2 GLN A 98 -1.259 9.795 14.696 1.00 0.00 N ATOM 0 H GLN A 98 0.171 7.462 10.839 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.979 9.023 9.560 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.820 10.389 11.629 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.213 8.712 11.955 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.129 8.254 12.896 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.672 9.549 12.028 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.775 8.923 14.576 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.406 10.363 15.530 1.00 0.00 H new ATOM 1509 N THR A 99 -0.641 11.146 9.091 1.00 0.00 N ATOM 1510 CA THR A 99 0.177 12.204 8.512 1.00 0.00 C ATOM 1511 C THR A 99 0.731 13.124 9.594 1.00 0.00 C ATOM 1512 O THR A 99 0.547 12.879 10.787 1.00 0.00 O ATOM 1513 CB THR A 99 -0.625 13.045 7.501 1.00 0.00 C ATOM 1514 OG1 THR A 99 -1.780 13.605 8.136 1.00 0.00 O ATOM 1515 CG2 THR A 99 -1.055 12.197 6.313 1.00 0.00 C ATOM 0 H THR A 99 -1.644 11.333 9.077 1.00 0.00 H new ATOM 0 HA THR A 99 1.003 11.717 7.994 1.00 0.00 H new ATOM 0 HB THR A 99 0.017 13.849 7.141 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.452 13.824 7.458 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.620 12.812 5.612 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.173 11.796 5.814 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.681 11.375 6.660 1.00 0.00 H new ATOM 1523 N LEU A 100 1.411 14.184 9.171 1.00 0.00 N ATOM 1524 CA LEU A 100 1.992 15.143 10.104 1.00 0.00 C ATOM 1525 C LEU A 100 0.913 16.025 10.722 1.00 0.00 C ATOM 1526 O LEU A 100 0.006 16.492 10.031 1.00 0.00 O ATOM 1527 CB LEU A 100 3.032 16.011 9.393 1.00 0.00 C ATOM 1528 CG LEU A 100 4.432 15.412 9.264 1.00 0.00 C ATOM 1529 CD1 LEU A 100 4.380 14.089 8.516 1.00 0.00 C ATOM 1530 CD2 LEU A 100 5.367 16.387 8.563 1.00 0.00 C ATOM 0 H LEU A 100 1.574 14.401 8.188 1.00 0.00 H new ATOM 0 HA LEU A 100 2.479 14.585 10.903 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.663 16.239 8.393 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.112 16.958 9.927 1.00 0.00 H new ATOM 0 HG LEU A 100 4.820 15.224 10.265 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.386 13.678 8.434 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.745 13.389 9.059 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.972 14.251 7.518 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.359 15.944 8.480 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.983 16.607 7.567 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.429 17.310 9.140 1.00 0.00 H new ATOM 1542 N THR A 101 1.016 16.252 12.028 1.00 0.00 N ATOM 1543 CA THR A 101 0.049 17.080 12.738 1.00 0.00 C ATOM 1544 C THR A 101 0.505 18.534 12.793 1.00 0.00 C ATOM 1545 O THR A 101 1.475 18.865 13.474 1.00 0.00 O ATOM 1546 CB THR A 101 -0.178 16.571 14.174 1.00 0.00 C ATOM 1547 OG1 THR A 101 0.983 16.824 14.973 1.00 0.00 O ATOM 1548 CG2 THR A 101 -0.486 15.081 14.178 1.00 0.00 C ATOM 0 H THR A 101 1.759 15.874 12.615 1.00 0.00 H new ATOM 0 HA THR A 101 -0.888 17.017 12.185 1.00 0.00 H new ATOM 0 HB THR A 101 -1.031 17.104 14.594 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.491 17.567 14.586 1.00 0.00 H new ATOM 0 HG21 THR A 101 -0.642 14.745 15.203 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.387 14.894 13.593 1.00 0.00 H new ATOM 0 HG23 THR A 101 0.350 14.535 13.741 1.00 0.00 H new ATOM 1556 N ASP A 102 -0.202 19.397 12.072 1.00 0.00 N ATOM 1557 CA ASP A 102 0.129 20.817 12.040 1.00 0.00 C ATOM 1558 C ASP A 102 0.046 21.426 13.436 1.00 0.00 C ATOM 1559 O ASP A 102 0.915 22.197 13.840 1.00 0.00 O ATOM 1560 CB ASP A 102 -0.810 21.560 11.089 1.00 0.00 C ATOM 1561 CG ASP A 102 -0.645 23.065 11.170 1.00 0.00 C ATOM 1562 OD1 ASP A 102 -1.082 23.657 12.179 1.00 0.00 O ATOM 1563 OD2 ASP A 102 -0.078 23.651 10.225 1.00 0.00 O ATOM 0 H ASP A 102 -1.007 19.138 11.502 1.00 0.00 H new ATOM 0 HA ASP A 102 1.153 20.918 11.680 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -0.622 21.231 10.067 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -1.842 21.298 11.323 1.00 0.00 H new