USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 758 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 44 LYS NZ :NH3+ -162:sc= 0.792 (180deg=0) USER MOD Set 1.2: A 59 GLN : amide:sc= -1.64 K(o=-0.84,f=-9.3!) USER MOD Set 2.1: A 36 LYS NZ :NH3+ -172:sc= 1.01 (180deg=0.842) USER MOD Set 2.2: A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.122 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 179:sc= -2.85! USER MOD Single : A 13 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.021) USER MOD Single : A 14 ASN : amide:sc= -4.59! C(o=-4.6!,f=-7.1!) USER MOD Single : A 17 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.407) USER MOD Single : A 24 ASN : amide:sc= -8.1! C(o=-8.1!,f=-5.7!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.0218 X(o=0.022,f=-0.071) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -140:sc= -0.786 USER MOD Single : A 35 ASN : amide:sc= -2.66! C(o=-2.7!,f=-10!) USER MOD Single : A 41 CYS SG : rot 31:sc= -7.33! USER MOD Single : A 42 MET CE :methyl 134:sc= -5.31! (180deg=-6.59!) USER MOD Single : A 43 LYS NZ :NH3+ 174:sc= 0.705 (180deg=0.666) USER MOD Single : A 45 THR OG1 : rot 180:sc= -2.6 USER MOD Single : A 47 TYR OH : rot 180:sc= -1.32 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -139:sc= -0.332 (180deg=-3.35!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 151:sc= -7.89! USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.394 USER MOD Single : A 67 LYS NZ :NH3+ 151:sc= -6.69! (180deg=-9.81!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 63:sc= 0.163 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -5.19! C(o=-5.2!,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.310 8.916 -6.720 1.00 0.00 N ATOM 2 CA GLY A 1 -11.148 8.311 -6.010 1.00 0.00 C ATOM 3 C GLY A 1 -10.106 9.394 -5.720 1.00 0.00 C ATOM 4 O GLY A 1 -10.244 10.528 -6.135 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.156 8.853 -6.118 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.108 9.914 -6.929 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.479 8.403 -7.609 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.477 7.850 -5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.707 7.521 -6.619 1.00 0.00 H new ATOM 10 N GLU A 2 -9.066 9.055 -5.011 1.00 0.00 N ATOM 11 CA GLU A 2 -8.017 10.069 -4.696 1.00 0.00 C ATOM 12 C GLU A 2 -6.646 9.396 -4.580 1.00 0.00 C ATOM 13 O GLU A 2 -6.487 8.402 -3.900 1.00 0.00 O ATOM 14 CB GLU A 2 -8.436 10.668 -3.352 1.00 0.00 C ATOM 15 CG GLU A 2 -9.934 10.979 -3.376 1.00 0.00 C ATOM 16 CD GLU A 2 -10.308 11.779 -2.126 1.00 0.00 C ATOM 17 OE1 GLU A 2 -10.256 11.213 -1.047 1.00 0.00 O ATOM 18 OE2 GLU A 2 -10.641 12.944 -2.270 1.00 0.00 O ATOM 0 H GLU A 2 -8.895 8.122 -4.636 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.932 10.829 -5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.212 9.970 -2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.868 11.577 -3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -10.184 11.546 -4.272 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -10.508 10.053 -3.414 1.00 0.00 H new ATOM 25 N TRP A 3 -5.656 9.931 -5.239 1.00 0.00 N ATOM 26 CA TRP A 3 -4.296 9.324 -5.165 1.00 0.00 C ATOM 27 C TRP A 3 -3.370 10.207 -4.325 1.00 0.00 C ATOM 28 O TRP A 3 -3.581 11.397 -4.196 1.00 0.00 O ATOM 29 CB TRP A 3 -3.811 9.261 -6.614 1.00 0.00 C ATOM 30 CG TRP A 3 -3.940 10.612 -7.241 1.00 0.00 C ATOM 31 CD1 TRP A 3 -3.063 11.629 -7.084 1.00 0.00 C ATOM 32 CD2 TRP A 3 -4.990 11.110 -8.120 1.00 0.00 C ATOM 33 NE1 TRP A 3 -3.507 12.720 -7.811 1.00 0.00 N ATOM 34 CE2 TRP A 3 -4.692 12.449 -8.467 1.00 0.00 C ATOM 35 CE3 TRP A 3 -6.163 10.536 -8.645 1.00 0.00 C ATOM 36 CZ2 TRP A 3 -5.524 13.192 -9.304 1.00 0.00 C ATOM 37 CZ3 TRP A 3 -7.003 11.281 -9.489 1.00 0.00 C ATOM 38 CH2 TRP A 3 -6.684 12.606 -9.818 1.00 0.00 C ATOM 0 H TRP A 3 -5.729 10.762 -5.826 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.307 8.340 -4.697 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -2.773 8.930 -6.647 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -4.396 8.531 -7.173 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.163 11.596 -6.488 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -3.019 13.614 -7.857 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -6.419 9.516 -8.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -5.274 14.213 -9.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -7.900 10.830 -9.887 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -7.334 13.173 -10.468 1.00 0.00 H new ATOM 49 N GLU A 4 -2.345 9.637 -3.752 1.00 0.00 N ATOM 50 CA GLU A 4 -1.410 10.449 -2.920 1.00 0.00 C ATOM 51 C GLU A 4 -0.258 9.577 -2.412 1.00 0.00 C ATOM 52 O GLU A 4 -0.455 8.454 -1.998 1.00 0.00 O ATOM 53 CB GLU A 4 -2.263 10.956 -1.755 1.00 0.00 C ATOM 54 CG GLU A 4 -2.496 9.823 -0.753 1.00 0.00 C ATOM 55 CD GLU A 4 -3.204 10.374 0.486 1.00 0.00 C ATOM 56 OE1 GLU A 4 -2.819 11.438 0.940 1.00 0.00 O ATOM 57 OE2 GLU A 4 -4.120 9.722 0.959 1.00 0.00 O ATOM 0 H GLU A 4 -2.114 8.646 -3.823 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.958 11.268 -3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.765 11.792 -1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.218 11.328 -2.126 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.098 9.038 -1.210 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.545 9.372 -0.471 1.00 0.00 H new ATOM 64 N ILE A 5 0.943 10.084 -2.442 1.00 0.00 N ATOM 65 CA ILE A 5 2.101 9.288 -1.967 1.00 0.00 C ATOM 66 C ILE A 5 2.322 9.507 -0.467 1.00 0.00 C ATOM 67 O ILE A 5 1.581 10.218 0.183 1.00 0.00 O ATOM 68 CB ILE A 5 3.277 9.831 -2.772 1.00 0.00 C ATOM 69 CG1 ILE A 5 3.386 11.344 -2.562 1.00 0.00 C ATOM 70 CG2 ILE A 5 3.059 9.538 -4.257 1.00 0.00 C ATOM 71 CD1 ILE A 5 4.856 11.763 -2.631 1.00 0.00 C ATOM 0 H ILE A 5 1.170 11.020 -2.777 1.00 0.00 H new ATOM 0 HA ILE A 5 1.962 8.216 -2.103 1.00 0.00 H new ATOM 0 HB ILE A 5 4.197 9.350 -2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.810 11.870 -3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.963 11.619 -1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.900 9.926 -4.832 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.983 8.461 -4.408 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.139 10.017 -4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.935 12.840 -2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.418 11.247 -1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.263 11.501 -3.608 1.00 0.00 H new ATOM 83 N ILE A 6 3.334 8.896 0.090 1.00 0.00 N ATOM 84 CA ILE A 6 3.601 9.064 1.553 1.00 0.00 C ATOM 85 C ILE A 6 5.045 9.534 1.763 1.00 0.00 C ATOM 86 O ILE A 6 5.588 10.258 0.953 1.00 0.00 O ATOM 87 CB ILE A 6 3.377 7.683 2.205 1.00 0.00 C ATOM 88 CG1 ILE A 6 2.713 6.712 1.217 1.00 0.00 C ATOM 89 CG2 ILE A 6 2.471 7.851 3.425 1.00 0.00 C ATOM 90 CD1 ILE A 6 1.258 7.124 0.991 1.00 0.00 C ATOM 0 H ILE A 6 3.988 8.288 -0.403 1.00 0.00 H new ATOM 0 HA ILE A 6 2.942 9.810 1.998 1.00 0.00 H new ATOM 0 HB ILE A 6 4.344 7.274 2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.253 6.715 0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.757 5.695 1.606 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.307 6.880 3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.945 8.523 4.140 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.514 8.270 3.113 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.789 6.434 0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.721 7.098 1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.225 8.134 0.583 1.00 0.00 H new ATOM 102 N ASP A 7 5.677 9.142 2.840 1.00 0.00 N ATOM 103 CA ASP A 7 7.075 9.586 3.074 1.00 0.00 C ATOM 104 C ASP A 7 7.933 8.413 3.522 1.00 0.00 C ATOM 105 O ASP A 7 7.669 7.269 3.211 1.00 0.00 O ATOM 106 CB ASP A 7 6.975 10.629 4.186 1.00 0.00 C ATOM 107 CG ASP A 7 7.691 11.910 3.754 1.00 0.00 C ATOM 108 OD1 ASP A 7 8.503 11.833 2.846 1.00 0.00 O ATOM 109 OD2 ASP A 7 7.417 12.945 4.338 1.00 0.00 O ATOM 0 H ASP A 7 5.284 8.537 3.561 1.00 0.00 H new ATOM 0 HA ASP A 7 7.536 9.990 2.173 1.00 0.00 H new ATOM 0 HB2 ASP A 7 5.929 10.842 4.406 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.421 10.242 5.102 1.00 0.00 H new ATOM 114 N ILE A 8 8.947 8.702 4.267 1.00 0.00 N ATOM 115 CA ILE A 8 9.838 7.632 4.777 1.00 0.00 C ATOM 116 C ILE A 8 9.520 7.410 6.251 1.00 0.00 C ATOM 117 O ILE A 8 10.397 7.228 7.071 1.00 0.00 O ATOM 118 CB ILE A 8 11.258 8.176 4.605 1.00 0.00 C ATOM 119 CG1 ILE A 8 12.265 7.124 5.076 1.00 0.00 C ATOM 120 CG2 ILE A 8 11.423 9.448 5.437 1.00 0.00 C ATOM 121 CD1 ILE A 8 13.460 7.097 4.122 1.00 0.00 C ATOM 0 H ILE A 8 9.204 9.647 4.551 1.00 0.00 H new ATOM 0 HA ILE A 8 9.717 6.682 4.256 1.00 0.00 H new ATOM 0 HB ILE A 8 11.435 8.406 3.554 1.00 0.00 H new ATOM 0 HG12 ILE A 8 12.599 7.353 6.088 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.792 6.143 5.111 1.00 0.00 H new ATOM 0 HG21 ILE A 8 12.435 9.835 5.314 1.00 0.00 H new ATOM 0 HG22 ILE A 8 10.705 10.197 5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 8 11.247 9.220 6.488 1.00 0.00 H new ATOM 0 HD11 ILE A 8 14.177 6.348 4.458 1.00 0.00 H new ATOM 0 HD12 ILE A 8 13.118 6.848 3.118 1.00 0.00 H new ATOM 0 HD13 ILE A 8 13.938 8.077 4.110 1.00 0.00 H new ATOM 133 N GLY A 9 8.261 7.457 6.594 1.00 0.00 N ATOM 134 CA GLY A 9 7.883 7.282 8.030 1.00 0.00 C ATOM 135 C GLY A 9 6.553 6.526 8.195 1.00 0.00 C ATOM 136 O GLY A 9 6.525 5.465 8.787 1.00 0.00 O ATOM 0 H GLY A 9 7.483 7.607 5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.674 6.739 8.548 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.804 8.260 8.505 1.00 0.00 H new ATOM 140 N PRO A 10 5.484 7.109 7.714 1.00 0.00 N ATOM 141 CA PRO A 10 4.146 6.479 7.872 1.00 0.00 C ATOM 142 C PRO A 10 3.999 5.197 7.042 1.00 0.00 C ATOM 143 O PRO A 10 4.323 4.116 7.497 1.00 0.00 O ATOM 144 CB PRO A 10 3.180 7.561 7.395 1.00 0.00 C ATOM 145 CG PRO A 10 3.988 8.424 6.482 1.00 0.00 C ATOM 146 CD PRO A 10 5.406 8.383 6.986 1.00 0.00 C ATOM 0 HA PRO A 10 3.963 6.162 8.899 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.326 7.127 6.875 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.784 8.135 8.233 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.932 8.060 5.456 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.608 9.446 6.479 1.00 0.00 H new ATOM 0 HD2 PRO A 10 6.123 8.419 6.166 1.00 0.00 H new ATOM 0 HD3 PRO A 10 5.623 9.230 7.637 1.00 0.00 H new ATOM 154 N PHE A 11 3.486 5.295 5.847 1.00 0.00 N ATOM 155 CA PHE A 11 3.293 4.067 5.023 1.00 0.00 C ATOM 156 C PHE A 11 4.514 3.149 5.112 1.00 0.00 C ATOM 157 O PHE A 11 4.403 1.947 4.966 1.00 0.00 O ATOM 158 CB PHE A 11 3.072 4.567 3.601 1.00 0.00 C ATOM 159 CG PHE A 11 1.586 4.720 3.368 1.00 0.00 C ATOM 160 CD1 PHE A 11 0.783 5.326 4.343 1.00 0.00 C ATOM 161 CD2 PHE A 11 1.010 4.252 2.182 1.00 0.00 C ATOM 162 CE1 PHE A 11 -0.594 5.463 4.130 1.00 0.00 C ATOM 163 CE2 PHE A 11 -0.367 4.389 1.969 1.00 0.00 C ATOM 164 CZ PHE A 11 -1.169 4.995 2.943 1.00 0.00 C ATOM 0 H PHE A 11 3.193 6.167 5.406 1.00 0.00 H new ATOM 0 HA PHE A 11 2.449 3.472 5.371 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.578 5.521 3.453 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.497 3.866 2.883 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.226 5.688 5.259 1.00 0.00 H new ATOM 0 HD2 PHE A 11 1.628 3.785 1.430 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.213 5.930 4.882 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.810 4.027 1.053 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.231 5.101 2.779 1.00 0.00 H new ATOM 174 N THR A 12 5.673 3.686 5.377 1.00 0.00 N ATOM 175 CA THR A 12 6.868 2.824 5.503 1.00 0.00 C ATOM 176 C THR A 12 6.577 1.750 6.535 1.00 0.00 C ATOM 177 O THR A 12 6.656 0.566 6.274 1.00 0.00 O ATOM 178 CB THR A 12 7.959 3.752 6.016 1.00 0.00 C ATOM 179 OG1 THR A 12 7.710 4.068 7.376 1.00 0.00 O ATOM 180 CG2 THR A 12 7.980 5.033 5.188 1.00 0.00 C ATOM 0 H THR A 12 5.838 4.684 5.511 1.00 0.00 H new ATOM 0 HA THR A 12 7.151 2.338 4.569 1.00 0.00 H new ATOM 0 HB THR A 12 8.925 3.255 5.929 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.422 4.652 7.712 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.763 5.694 5.560 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.177 4.788 4.144 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.015 5.533 5.268 1.00 0.00 H new ATOM 188 N GLN A 13 6.220 2.175 7.709 1.00 0.00 N ATOM 189 CA GLN A 13 5.896 1.198 8.786 1.00 0.00 C ATOM 190 C GLN A 13 4.759 0.292 8.318 1.00 0.00 C ATOM 191 O GLN A 13 4.582 -0.811 8.796 1.00 0.00 O ATOM 192 CB GLN A 13 5.458 2.044 9.982 1.00 0.00 C ATOM 193 CG GLN A 13 5.609 1.229 11.268 1.00 0.00 C ATOM 194 CD GLN A 13 4.662 1.781 12.335 1.00 0.00 C ATOM 195 OE1 GLN A 13 4.622 2.973 12.572 1.00 0.00 O ATOM 196 NE2 GLN A 13 3.892 0.959 12.996 1.00 0.00 N ATOM 0 H GLN A 13 6.137 3.157 7.973 1.00 0.00 H new ATOM 0 HA GLN A 13 6.741 0.559 9.043 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.061 2.950 10.040 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.422 2.359 9.858 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.385 0.180 11.075 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.639 1.275 11.622 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.925 -0.041 12.798 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.258 1.317 13.710 1.00 0.00 H new ATOM 205 N ASN A 14 4.000 0.757 7.371 1.00 0.00 N ATOM 206 CA ASN A 14 2.872 -0.061 6.840 1.00 0.00 C ATOM 207 C ASN A 14 3.417 -1.207 6.000 1.00 0.00 C ATOM 208 O ASN A 14 3.153 -2.365 6.257 1.00 0.00 O ATOM 209 CB ASN A 14 2.054 0.900 5.977 1.00 0.00 C ATOM 210 CG ASN A 14 0.563 0.604 6.155 1.00 0.00 C ATOM 211 OD1 ASN A 14 0.195 -0.368 6.784 1.00 0.00 O ATOM 212 ND2 ASN A 14 -0.316 1.409 5.623 1.00 0.00 N ATOM 0 H ASN A 14 4.110 1.674 6.937 1.00 0.00 H new ATOM 0 HA ASN A 14 2.268 -0.503 7.632 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.267 1.931 6.260 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.334 0.793 4.929 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.312 1.222 5.735 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.006 2.225 5.095 1.00 0.00 H new ATOM 219 N LEU A 15 4.181 -0.886 5.004 1.00 0.00 N ATOM 220 CA LEU A 15 4.764 -1.945 4.135 1.00 0.00 C ATOM 221 C LEU A 15 5.257 -3.105 5.001 1.00 0.00 C ATOM 222 O LEU A 15 4.848 -4.233 4.830 1.00 0.00 O ATOM 223 CB LEU A 15 5.930 -1.261 3.410 1.00 0.00 C ATOM 224 CG LEU A 15 6.889 -2.304 2.816 1.00 0.00 C ATOM 225 CD1 LEU A 15 7.826 -2.821 3.907 1.00 0.00 C ATOM 226 CD2 LEU A 15 6.101 -3.478 2.226 1.00 0.00 C ATOM 0 H LEU A 15 4.431 0.069 4.749 1.00 0.00 H new ATOM 0 HA LEU A 15 4.044 -2.360 3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.545 -0.620 2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.470 -0.618 4.105 1.00 0.00 H new ATOM 0 HG LEU A 15 7.471 -1.833 2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.505 -3.561 3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.403 -1.991 4.315 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.240 -3.281 4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.794 -4.209 1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.507 -3.948 3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.441 -3.114 1.439 1.00 0.00 H new ATOM 238 N GLY A 16 6.119 -2.838 5.943 1.00 0.00 N ATOM 239 CA GLY A 16 6.616 -3.934 6.820 1.00 0.00 C ATOM 240 C GLY A 16 5.422 -4.701 7.390 1.00 0.00 C ATOM 241 O GLY A 16 5.450 -5.908 7.522 1.00 0.00 O ATOM 0 H GLY A 16 6.499 -1.913 6.143 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.259 -4.607 6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.220 -3.523 7.629 1.00 0.00 H new ATOM 245 N LYS A 17 4.372 -4.004 7.729 1.00 0.00 N ATOM 246 CA LYS A 17 3.170 -4.685 8.291 1.00 0.00 C ATOM 247 C LYS A 17 2.332 -5.307 7.176 1.00 0.00 C ATOM 248 O LYS A 17 2.395 -6.492 6.918 1.00 0.00 O ATOM 249 CB LYS A 17 2.383 -3.578 8.993 1.00 0.00 C ATOM 250 CG LYS A 17 2.422 -3.802 10.506 1.00 0.00 C ATOM 251 CD LYS A 17 2.932 -2.536 11.197 1.00 0.00 C ATOM 252 CE LYS A 17 3.746 -2.921 12.433 1.00 0.00 C ATOM 253 NZ LYS A 17 2.773 -3.587 13.343 1.00 0.00 N ATOM 0 H LYS A 17 4.294 -2.991 7.641 1.00 0.00 H new ATOM 0 HA LYS A 17 3.440 -5.495 8.969 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.808 -2.604 8.748 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.351 -3.573 8.642 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.427 -4.053 10.873 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.071 -4.645 10.743 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.548 -1.957 10.509 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.093 -1.903 11.484 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.566 -3.591 12.173 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.189 -2.043 12.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.143 -3.576 14.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.866 -3.080 13.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.630 -4.571 13.038 1.00 0.00 H new ATOM 267 N PHE A 18 1.540 -4.506 6.529 1.00 0.00 N ATOM 268 CA PHE A 18 0.666 -5.016 5.428 1.00 0.00 C ATOM 269 C PHE A 18 1.385 -6.083 4.609 1.00 0.00 C ATOM 270 O PHE A 18 0.790 -7.044 4.164 1.00 0.00 O ATOM 271 CB PHE A 18 0.359 -3.791 4.565 1.00 0.00 C ATOM 272 CG PHE A 18 -0.977 -3.212 4.966 1.00 0.00 C ATOM 273 CD1 PHE A 18 -2.062 -4.061 5.220 1.00 0.00 C ATOM 274 CD2 PHE A 18 -1.132 -1.826 5.083 1.00 0.00 C ATOM 275 CE1 PHE A 18 -3.300 -3.524 5.591 1.00 0.00 C ATOM 276 CE2 PHE A 18 -2.370 -1.288 5.454 1.00 0.00 C ATOM 277 CZ PHE A 18 -3.454 -2.138 5.708 1.00 0.00 C ATOM 0 H PHE A 18 1.456 -3.506 6.714 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.239 -5.484 5.814 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.142 -3.043 4.686 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.345 -4.070 3.511 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.943 -5.131 5.129 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.296 -1.171 4.887 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.136 -4.179 5.787 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.489 -0.218 5.544 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.409 -1.723 5.994 1.00 0.00 H new ATOM 287 N ALA A 19 2.653 -5.925 4.411 1.00 0.00 N ATOM 288 CA ALA A 19 3.409 -6.937 3.620 1.00 0.00 C ATOM 289 C ALA A 19 3.450 -8.261 4.381 1.00 0.00 C ATOM 290 O ALA A 19 2.828 -9.221 3.991 1.00 0.00 O ATOM 291 CB ALA A 19 4.815 -6.366 3.458 1.00 0.00 C ATOM 0 H ALA A 19 3.206 -5.142 4.759 1.00 0.00 H new ATOM 0 HA ALA A 19 2.947 -7.133 2.652 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.426 -7.062 2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.762 -5.412 2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.262 -6.216 4.441 1.00 0.00 H new ATOM 297 N VAL A 20 4.170 -8.318 5.467 1.00 0.00 N ATOM 298 CA VAL A 20 4.235 -9.589 6.249 1.00 0.00 C ATOM 299 C VAL A 20 2.857 -10.260 6.284 1.00 0.00 C ATOM 300 O VAL A 20 2.748 -11.466 6.385 1.00 0.00 O ATOM 301 CB VAL A 20 4.678 -9.164 7.651 1.00 0.00 C ATOM 302 CG1 VAL A 20 4.317 -10.255 8.663 1.00 0.00 C ATOM 303 CG2 VAL A 20 6.192 -8.945 7.659 1.00 0.00 C ATOM 0 H VAL A 20 4.715 -7.544 5.847 1.00 0.00 H new ATOM 0 HA VAL A 20 4.921 -10.315 5.813 1.00 0.00 H new ATOM 0 HB VAL A 20 4.171 -8.239 7.924 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.635 -9.947 9.659 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.238 -10.413 8.659 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.820 -11.183 8.393 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.511 -8.642 8.656 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.695 -9.872 7.383 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.451 -8.165 6.943 1.00 0.00 H new ATOM 313 N ASP A 21 1.803 -9.493 6.186 1.00 0.00 N ATOM 314 CA ASP A 21 0.441 -10.099 6.196 1.00 0.00 C ATOM 315 C ASP A 21 -0.029 -10.359 4.766 1.00 0.00 C ATOM 316 O ASP A 21 -0.128 -11.490 4.342 1.00 0.00 O ATOM 317 CB ASP A 21 -0.455 -9.068 6.884 1.00 0.00 C ATOM 318 CG ASP A 21 -0.396 -9.268 8.399 1.00 0.00 C ATOM 319 OD1 ASP A 21 -0.802 -10.326 8.852 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.053 -8.361 9.079 1.00 0.00 O ATOM 0 H ASP A 21 1.827 -8.477 6.100 1.00 0.00 H new ATOM 0 HA ASP A 21 0.420 -11.057 6.715 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.130 -8.060 6.627 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.482 -9.171 6.533 1.00 0.00 H new ATOM 325 N GLU A 22 -0.317 -9.335 4.013 1.00 0.00 N ATOM 326 CA GLU A 22 -0.771 -9.579 2.615 1.00 0.00 C ATOM 327 C GLU A 22 0.285 -10.384 1.871 1.00 0.00 C ATOM 328 O GLU A 22 -0.023 -11.202 1.035 1.00 0.00 O ATOM 329 CB GLU A 22 -0.965 -8.197 1.987 1.00 0.00 C ATOM 330 CG GLU A 22 -2.381 -7.701 2.286 1.00 0.00 C ATOM 331 CD GLU A 22 -2.362 -6.817 3.535 1.00 0.00 C ATOM 332 OE1 GLU A 22 -1.552 -7.078 4.409 1.00 0.00 O ATOM 333 OE2 GLU A 22 -3.158 -5.894 3.595 1.00 0.00 O ATOM 0 H GLU A 22 -0.260 -8.357 4.297 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.698 -10.151 2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.230 -7.497 2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.805 -8.248 0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.767 -7.139 1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.050 -8.548 2.438 1.00 0.00 H new ATOM 340 N GLU A 23 1.525 -10.186 2.199 1.00 0.00 N ATOM 341 CA GLU A 23 2.604 -10.968 1.534 1.00 0.00 C ATOM 342 C GLU A 23 2.507 -12.412 2.001 1.00 0.00 C ATOM 343 O GLU A 23 2.287 -13.312 1.219 1.00 0.00 O ATOM 344 CB GLU A 23 3.920 -10.334 1.986 1.00 0.00 C ATOM 345 CG GLU A 23 5.007 -10.614 0.945 1.00 0.00 C ATOM 346 CD GLU A 23 6.193 -11.311 1.614 1.00 0.00 C ATOM 347 OE1 GLU A 23 6.026 -11.792 2.723 1.00 0.00 O ATOM 348 OE2 GLU A 23 7.250 -11.353 1.006 1.00 0.00 O ATOM 0 H GLU A 23 1.842 -9.516 2.900 1.00 0.00 H new ATOM 0 HA GLU A 23 2.529 -10.958 0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.793 -9.259 2.114 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.216 -10.737 2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.608 -11.240 0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.333 -9.681 0.485 1.00 0.00 H new ATOM 355 N ASN A 24 2.629 -12.647 3.274 1.00 0.00 N ATOM 356 CA ASN A 24 2.492 -14.044 3.753 1.00 0.00 C ATOM 357 C ASN A 24 1.139 -14.554 3.279 1.00 0.00 C ATOM 358 O ASN A 24 1.015 -15.644 2.758 1.00 0.00 O ATOM 359 CB ASN A 24 2.550 -13.971 5.281 1.00 0.00 C ATOM 360 CG ASN A 24 3.972 -13.630 5.745 1.00 0.00 C ATOM 361 OD1 ASN A 24 4.276 -13.734 6.916 1.00 0.00 O ATOM 362 ND2 ASN A 24 4.863 -13.225 4.878 1.00 0.00 N ATOM 0 H ASN A 24 2.814 -11.946 3.992 1.00 0.00 H new ATOM 0 HA ASN A 24 3.268 -14.713 3.381 1.00 0.00 H new ATOM 0 HB2 ASN A 24 1.852 -13.216 5.642 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.239 -14.924 5.709 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.808 -12.998 5.186 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.613 -13.136 3.893 1.00 0.00 H new ATOM 369 N LYS A 25 0.123 -13.747 3.429 1.00 0.00 N ATOM 370 CA LYS A 25 -1.224 -14.157 2.955 1.00 0.00 C ATOM 371 C LYS A 25 -1.155 -14.511 1.472 1.00 0.00 C ATOM 372 O LYS A 25 -1.565 -15.576 1.054 1.00 0.00 O ATOM 373 CB LYS A 25 -2.119 -12.939 3.181 1.00 0.00 C ATOM 374 CG LYS A 25 -3.544 -13.259 2.722 1.00 0.00 C ATOM 375 CD LYS A 25 -4.193 -14.225 3.714 1.00 0.00 C ATOM 376 CE LYS A 25 -4.690 -15.466 2.969 1.00 0.00 C ATOM 377 NZ LYS A 25 -6.113 -15.172 2.641 1.00 0.00 N ATOM 0 H LYS A 25 0.171 -12.823 3.859 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.605 -15.033 3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.118 -12.665 4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.732 -12.083 2.629 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.130 -12.343 2.654 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.526 -13.701 1.726 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.474 -14.512 4.481 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.024 -13.736 4.223 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.106 -15.646 2.067 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.604 -16.359 3.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.525 -15.978 2.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.646 -15.012 3.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.163 -14.321 2.046 1.00 0.00 H new ATOM 391 N ILE A 26 -0.634 -13.625 0.677 1.00 0.00 N ATOM 392 CA ILE A 26 -0.530 -13.909 -0.786 1.00 0.00 C ATOM 393 C ILE A 26 0.213 -15.229 -1.004 1.00 0.00 C ATOM 394 O ILE A 26 0.082 -15.871 -2.027 1.00 0.00 O ATOM 395 CB ILE A 26 0.230 -12.721 -1.408 1.00 0.00 C ATOM 396 CG1 ILE A 26 -0.200 -12.553 -2.867 1.00 0.00 C ATOM 397 CG2 ILE A 26 1.749 -12.942 -1.358 1.00 0.00 C ATOM 398 CD1 ILE A 26 0.022 -13.864 -3.624 1.00 0.00 C ATOM 0 H ILE A 26 -0.275 -12.717 0.971 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.509 -14.015 -1.253 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.009 -11.826 -0.833 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.251 -12.267 -2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.371 -11.751 -3.334 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.256 -12.087 -1.804 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.067 -13.052 -0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.004 -13.845 -1.913 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.285 -13.741 -4.663 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.078 -14.131 -3.587 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.569 -14.655 -3.162 1.00 0.00 H new ATOM 410 N GLY A 27 0.993 -15.635 -0.043 1.00 0.00 N ATOM 411 CA GLY A 27 1.749 -16.911 -0.183 1.00 0.00 C ATOM 412 C GLY A 27 3.249 -16.629 -0.078 1.00 0.00 C ATOM 413 O GLY A 27 4.070 -17.417 -0.504 1.00 0.00 O ATOM 0 H GLY A 27 1.140 -15.138 0.835 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.445 -17.613 0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.522 -17.377 -1.142 1.00 0.00 H new ATOM 417 N GLN A 28 3.612 -15.511 0.487 1.00 0.00 N ATOM 418 CA GLN A 28 5.059 -15.177 0.622 1.00 0.00 C ATOM 419 C GLN A 28 5.449 -15.135 2.100 1.00 0.00 C ATOM 420 O GLN A 28 5.885 -14.122 2.611 1.00 0.00 O ATOM 421 CB GLN A 28 5.208 -13.795 -0.014 1.00 0.00 C ATOM 422 CG GLN A 28 4.831 -13.871 -1.496 1.00 0.00 C ATOM 423 CD GLN A 28 5.905 -14.653 -2.255 1.00 0.00 C ATOM 424 OE1 GLN A 28 6.955 -14.125 -2.561 1.00 0.00 O ATOM 425 NE2 GLN A 28 5.684 -15.899 -2.574 1.00 0.00 N ATOM 0 H GLN A 28 2.969 -14.813 0.862 1.00 0.00 H new ATOM 0 HA GLN A 28 5.703 -15.914 0.143 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.568 -13.076 0.498 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.234 -13.442 0.094 1.00 0.00 H new ATOM 0 HG2 GLN A 28 3.862 -14.357 -1.611 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.736 -12.867 -1.910 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.802 -16.343 -2.317 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.393 -16.429 -3.080 1.00 0.00 H new ATOM 434 N TYR A 29 5.294 -16.230 2.792 1.00 0.00 N ATOM 435 CA TYR A 29 5.654 -16.259 4.238 1.00 0.00 C ATOM 436 C TYR A 29 7.150 -16.531 4.407 1.00 0.00 C ATOM 437 O TYR A 29 7.617 -16.841 5.486 1.00 0.00 O ATOM 438 CB TYR A 29 4.825 -17.399 4.828 1.00 0.00 C ATOM 439 CG TYR A 29 5.312 -17.707 6.224 1.00 0.00 C ATOM 440 CD1 TYR A 29 4.918 -16.898 7.296 1.00 0.00 C ATOM 441 CD2 TYR A 29 6.157 -18.800 6.445 1.00 0.00 C ATOM 442 CE1 TYR A 29 5.370 -17.182 8.590 1.00 0.00 C ATOM 443 CE2 TYR A 29 6.609 -19.084 7.739 1.00 0.00 C ATOM 444 CZ TYR A 29 6.215 -18.275 8.812 1.00 0.00 C ATOM 445 OH TYR A 29 6.660 -18.554 10.088 1.00 0.00 O ATOM 0 H TYR A 29 4.933 -17.108 2.418 1.00 0.00 H new ATOM 0 HA TYR A 29 5.451 -15.310 4.735 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.771 -17.122 4.852 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.907 -18.286 4.199 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.265 -16.055 7.125 1.00 0.00 H new ATOM 0 HD2 TYR A 29 6.460 -19.424 5.618 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.066 -16.557 9.417 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.262 -19.927 7.910 1.00 0.00 H new ATOM 0 HH TYR A 29 7.237 -19.346 10.067 1.00 0.00 H new ATOM 455 N GLY A 30 7.906 -16.417 3.349 1.00 0.00 N ATOM 456 CA GLY A 30 9.372 -16.667 3.448 1.00 0.00 C ATOM 457 C GLY A 30 9.918 -16.004 4.714 1.00 0.00 C ATOM 458 O GLY A 30 10.567 -16.636 5.525 1.00 0.00 O ATOM 0 H GLY A 30 7.571 -16.161 2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.568 -17.739 3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.880 -16.270 2.569 1.00 0.00 H new ATOM 462 N ARG A 31 9.661 -14.738 4.893 1.00 0.00 N ATOM 463 CA ARG A 31 10.166 -14.040 6.111 1.00 0.00 C ATOM 464 C ARG A 31 9.541 -12.647 6.216 1.00 0.00 C ATOM 465 O ARG A 31 8.409 -12.433 5.827 1.00 0.00 O ATOM 466 CB ARG A 31 11.679 -13.937 5.910 1.00 0.00 C ATOM 467 CG ARG A 31 12.395 -14.414 7.176 1.00 0.00 C ATOM 468 CD ARG A 31 13.846 -14.767 6.839 1.00 0.00 C ATOM 469 NE ARG A 31 14.643 -14.254 7.989 1.00 0.00 N ATOM 470 CZ ARG A 31 14.623 -14.887 9.131 1.00 0.00 C ATOM 471 NH1 ARG A 31 14.911 -16.159 9.176 1.00 0.00 N ATOM 472 NH2 ARG A 31 14.317 -14.247 10.226 1.00 0.00 N ATOM 0 H ARG A 31 9.124 -14.156 4.250 1.00 0.00 H new ATOM 0 HA ARG A 31 9.913 -14.572 7.028 1.00 0.00 H new ATOM 0 HB2 ARG A 31 11.985 -14.542 5.056 1.00 0.00 H new ATOM 0 HB3 ARG A 31 11.958 -12.907 5.688 1.00 0.00 H new ATOM 0 HG2 ARG A 31 12.367 -13.635 7.938 1.00 0.00 H new ATOM 0 HG3 ARG A 31 11.885 -15.284 7.590 1.00 0.00 H new ATOM 0 HD2 ARG A 31 13.973 -15.843 6.719 1.00 0.00 H new ATOM 0 HD3 ARG A 31 14.158 -14.303 5.904 1.00 0.00 H new ATOM 0 HE ARG A 31 15.204 -13.409 7.884 1.00 0.00 H new ATOM 0 HH11 ARG A 31 15.152 -16.658 8.320 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.896 -16.654 10.068 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.093 -13.252 10.190 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.301 -14.741 11.118 1.00 0.00 H new ATOM 486 N LEU A 32 10.264 -11.699 6.745 1.00 0.00 N ATOM 487 CA LEU A 32 9.708 -10.327 6.880 1.00 0.00 C ATOM 488 C LEU A 32 9.550 -9.687 5.500 1.00 0.00 C ATOM 489 O LEU A 32 9.760 -10.320 4.484 1.00 0.00 O ATOM 490 CB LEU A 32 10.743 -9.555 7.711 1.00 0.00 C ATOM 491 CG LEU A 32 11.204 -10.362 8.943 1.00 0.00 C ATOM 492 CD1 LEU A 32 10.165 -11.416 9.347 1.00 0.00 C ATOM 493 CD2 LEU A 32 12.542 -11.046 8.639 1.00 0.00 C ATOM 0 H LEU A 32 11.217 -11.817 7.089 1.00 0.00 H new ATOM 0 HA LEU A 32 8.725 -10.325 7.350 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.605 -9.318 7.088 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.314 -8.607 8.037 1.00 0.00 H new ATOM 0 HG LEU A 32 11.321 -9.669 9.776 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.523 -11.965 10.218 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.223 -10.924 9.590 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.009 -12.109 8.520 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.866 -11.615 9.510 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.422 -11.719 7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.291 -10.291 8.400 1.00 0.00 H new ATOM 505 N THR A 33 9.181 -8.438 5.455 1.00 0.00 N ATOM 506 CA THR A 33 9.007 -7.758 4.139 1.00 0.00 C ATOM 507 C THR A 33 9.376 -6.278 4.260 1.00 0.00 C ATOM 508 O THR A 33 8.606 -5.404 3.912 1.00 0.00 O ATOM 509 CB THR A 33 7.523 -7.916 3.797 1.00 0.00 C ATOM 510 OG1 THR A 33 6.900 -8.767 4.751 1.00 0.00 O ATOM 511 CG2 THR A 33 7.375 -8.525 2.401 1.00 0.00 C ATOM 0 H THR A 33 8.992 -7.857 6.272 1.00 0.00 H new ATOM 0 HA THR A 33 9.647 -8.185 3.367 1.00 0.00 H new ATOM 0 HB THR A 33 7.046 -6.936 3.817 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.266 -9.360 4.296 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.317 -8.635 2.162 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.846 -7.871 1.667 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.856 -9.503 2.378 1.00 0.00 H new ATOM 519 N PHE A 34 10.549 -5.988 4.752 1.00 0.00 N ATOM 520 CA PHE A 34 10.969 -4.563 4.896 1.00 0.00 C ATOM 521 C PHE A 34 12.416 -4.482 5.391 1.00 0.00 C ATOM 522 O PHE A 34 12.685 -4.584 6.571 1.00 0.00 O ATOM 523 CB PHE A 34 10.016 -3.972 5.936 1.00 0.00 C ATOM 524 CG PHE A 34 10.417 -2.547 6.230 1.00 0.00 C ATOM 525 CD1 PHE A 34 10.646 -1.653 5.178 1.00 0.00 C ATOM 526 CD2 PHE A 34 10.562 -2.119 7.555 1.00 0.00 C ATOM 527 CE1 PHE A 34 11.018 -0.331 5.450 1.00 0.00 C ATOM 528 CE2 PHE A 34 10.934 -0.798 7.828 1.00 0.00 C ATOM 529 CZ PHE A 34 11.162 0.096 6.775 1.00 0.00 C ATOM 0 H PHE A 34 11.236 -6.676 5.061 1.00 0.00 H new ATOM 0 HA PHE A 34 10.927 -4.025 3.949 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.991 -4.004 5.566 1.00 0.00 H new ATOM 0 HB3 PHE A 34 10.044 -4.565 6.850 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.536 -1.983 4.156 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.387 -2.809 8.367 1.00 0.00 H new ATOM 0 HE1 PHE A 34 11.194 0.359 4.638 1.00 0.00 H new ATOM 0 HE2 PHE A 34 11.045 -0.468 8.850 1.00 0.00 H new ATOM 0 HZ PHE A 34 11.449 1.116 6.985 1.00 0.00 H new ATOM 539 N ASN A 35 13.349 -4.301 4.497 1.00 0.00 N ATOM 540 CA ASN A 35 14.778 -4.216 4.917 1.00 0.00 C ATOM 541 C ASN A 35 15.446 -2.975 4.313 1.00 0.00 C ATOM 542 O ASN A 35 16.052 -2.187 5.011 1.00 0.00 O ATOM 543 CB ASN A 35 15.425 -5.490 4.370 1.00 0.00 C ATOM 544 CG ASN A 35 16.938 -5.430 4.590 1.00 0.00 C ATOM 545 OD1 ASN A 35 17.634 -4.704 3.908 1.00 0.00 O ATOM 546 ND2 ASN A 35 17.480 -6.169 5.519 1.00 0.00 N ATOM 0 H ASN A 35 13.185 -4.208 3.495 1.00 0.00 H new ATOM 0 HA ASN A 35 14.882 -4.132 5.999 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.009 -6.365 4.869 1.00 0.00 H new ATOM 0 HB3 ASN A 35 15.205 -5.595 3.308 1.00 0.00 H new ATOM 0 HD21 ASN A 35 18.488 -6.137 5.673 1.00 0.00 H new ATOM 0 HD22 ASN A 35 16.896 -6.778 6.091 1.00 0.00 H new ATOM 553 N LYS A 36 15.352 -2.802 3.022 1.00 0.00 N ATOM 554 CA LYS A 36 15.998 -1.619 2.381 1.00 0.00 C ATOM 555 C LYS A 36 15.276 -0.316 2.764 1.00 0.00 C ATOM 556 O LYS A 36 15.514 0.230 3.823 1.00 0.00 O ATOM 557 CB LYS A 36 15.911 -1.888 0.877 1.00 0.00 C ATOM 558 CG LYS A 36 17.220 -2.524 0.398 1.00 0.00 C ATOM 559 CD LYS A 36 17.625 -3.651 1.354 1.00 0.00 C ATOM 560 CE LYS A 36 18.866 -4.361 0.811 1.00 0.00 C ATOM 561 NZ LYS A 36 18.360 -5.243 -0.278 1.00 0.00 N ATOM 0 H LYS A 36 14.858 -3.426 2.385 1.00 0.00 H new ATOM 0 HA LYS A 36 17.029 -1.489 2.708 1.00 0.00 H new ATOM 0 HB2 LYS A 36 15.072 -2.550 0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 36 15.728 -0.957 0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.097 -2.917 -0.611 1.00 0.00 H new ATOM 0 HG3 LYS A 36 18.007 -1.771 0.354 1.00 0.00 H new ATOM 0 HD2 LYS A 36 17.830 -3.245 2.345 1.00 0.00 H new ATOM 0 HD3 LYS A 36 16.805 -4.361 1.463 1.00 0.00 H new ATOM 0 HE2 LYS A 36 19.596 -3.646 0.432 1.00 0.00 H new ATOM 0 HE3 LYS A 36 19.362 -4.940 1.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 19.128 -5.862 -0.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.577 -5.825 0.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.022 -4.659 -1.069 1.00 0.00 H new ATOM 575 N VAL A 37 14.415 0.207 1.922 1.00 0.00 N ATOM 576 CA VAL A 37 13.730 1.490 2.279 1.00 0.00 C ATOM 577 C VAL A 37 12.462 1.715 1.437 1.00 0.00 C ATOM 578 O VAL A 37 12.176 0.985 0.509 1.00 0.00 O ATOM 579 CB VAL A 37 14.783 2.563 1.972 1.00 0.00 C ATOM 580 CG1 VAL A 37 14.111 3.915 1.710 1.00 0.00 C ATOM 581 CG2 VAL A 37 15.732 2.695 3.163 1.00 0.00 C ATOM 0 H VAL A 37 14.160 -0.191 1.018 1.00 0.00 H new ATOM 0 HA VAL A 37 13.394 1.502 3.316 1.00 0.00 H new ATOM 0 HB VAL A 37 15.338 2.266 1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.873 4.664 1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.437 3.827 0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.545 4.217 2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.482 3.457 2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 37 15.166 2.983 4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.226 1.740 3.342 1.00 0.00 H new ATOM 591 N ILE A 38 11.716 2.743 1.762 1.00 0.00 N ATOM 592 CA ILE A 38 10.469 3.065 1.000 1.00 0.00 C ATOM 593 C ILE A 38 10.511 4.524 0.541 1.00 0.00 C ATOM 594 O ILE A 38 10.616 5.436 1.337 1.00 0.00 O ATOM 595 CB ILE A 38 9.307 2.820 1.981 1.00 0.00 C ATOM 596 CG1 ILE A 38 8.058 3.602 1.529 1.00 0.00 C ATOM 597 CG2 ILE A 38 9.699 3.239 3.401 1.00 0.00 C ATOM 598 CD1 ILE A 38 8.153 5.084 1.925 1.00 0.00 C ATOM 0 H ILE A 38 11.921 3.380 2.532 1.00 0.00 H new ATOM 0 HA ILE A 38 10.357 2.452 0.105 1.00 0.00 H new ATOM 0 HB ILE A 38 9.080 1.754 1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.946 3.519 0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.168 3.160 1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.864 3.057 4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.562 2.659 3.726 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.950 4.300 3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.257 5.608 1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.240 5.166 3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.030 5.530 1.456 1.00 0.00 H new ATOM 610 N ARG A 39 10.433 4.748 -0.742 1.00 0.00 N ATOM 611 CA ARG A 39 10.471 6.146 -1.257 1.00 0.00 C ATOM 612 C ARG A 39 9.300 6.396 -2.219 1.00 0.00 C ATOM 613 O ARG A 39 8.503 7.283 -1.985 1.00 0.00 O ATOM 614 CB ARG A 39 11.813 6.281 -1.976 1.00 0.00 C ATOM 615 CG ARG A 39 12.762 7.131 -1.129 1.00 0.00 C ATOM 616 CD ARG A 39 12.359 8.604 -1.232 1.00 0.00 C ATOM 617 NE ARG A 39 13.368 9.336 -0.418 1.00 0.00 N ATOM 618 CZ ARG A 39 14.088 10.278 -0.965 1.00 0.00 C ATOM 619 NH1 ARG A 39 14.770 10.031 -2.050 1.00 0.00 N ATOM 620 NH2 ARG A 39 14.125 11.467 -0.428 1.00 0.00 N ATOM 0 H ARG A 39 10.345 4.024 -1.455 1.00 0.00 H new ATOM 0 HA ARG A 39 10.375 6.879 -0.456 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.246 5.296 -2.148 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.669 6.742 -2.953 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.728 6.806 -0.089 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.788 6.999 -1.471 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.365 8.944 -2.268 1.00 0.00 H new ATOM 0 HD3 ARG A 39 11.351 8.765 -0.850 1.00 0.00 H new ATOM 0 HE ARG A 39 13.497 9.102 0.566 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.741 9.102 -2.471 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.332 10.767 -2.477 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.591 11.661 0.419 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.688 12.202 -0.856 1.00 0.00 H new ATOM 634 N PRO A 40 9.219 5.616 -3.274 1.00 0.00 N ATOM 635 CA PRO A 40 8.124 5.793 -4.243 1.00 0.00 C ATOM 636 C PRO A 40 6.868 5.038 -3.795 1.00 0.00 C ATOM 637 O PRO A 40 6.210 4.363 -4.567 1.00 0.00 O ATOM 638 CB PRO A 40 8.697 5.230 -5.537 1.00 0.00 C ATOM 639 CG PRO A 40 9.773 4.266 -5.127 1.00 0.00 C ATOM 640 CD PRO A 40 10.111 4.518 -3.671 1.00 0.00 C ATOM 0 HA PRO A 40 7.807 6.831 -4.349 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.925 4.728 -6.120 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.103 6.025 -6.163 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.435 3.239 -5.266 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.658 4.397 -5.750 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.941 3.629 -3.064 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.159 4.793 -3.548 1.00 0.00 H new ATOM 648 N CYS A 41 6.522 5.165 -2.548 1.00 0.00 N ATOM 649 CA CYS A 41 5.297 4.484 -2.041 1.00 0.00 C ATOM 650 C CYS A 41 4.060 5.303 -2.426 1.00 0.00 C ATOM 651 O CYS A 41 3.618 6.159 -1.687 1.00 0.00 O ATOM 652 CB CYS A 41 5.461 4.444 -0.521 1.00 0.00 C ATOM 653 SG CYS A 41 5.701 6.125 0.109 1.00 0.00 S ATOM 0 H CYS A 41 7.033 5.711 -1.855 1.00 0.00 H new ATOM 0 HA CYS A 41 5.171 3.485 -2.458 1.00 0.00 H new ATOM 0 HB2 CYS A 41 4.580 3.995 -0.062 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.313 3.819 -0.253 1.00 0.00 H new ATOM 0 HG CYS A 41 5.072 6.968 -0.654 1.00 0.00 H new ATOM 659 N MET A 42 3.504 5.057 -3.582 1.00 0.00 N ATOM 660 CA MET A 42 2.305 5.834 -4.012 1.00 0.00 C ATOM 661 C MET A 42 1.022 5.151 -3.525 1.00 0.00 C ATOM 662 O MET A 42 0.868 3.951 -3.632 1.00 0.00 O ATOM 663 CB MET A 42 2.362 5.837 -5.540 1.00 0.00 C ATOM 664 CG MET A 42 3.479 6.773 -6.007 1.00 0.00 C ATOM 665 SD MET A 42 4.146 6.177 -7.581 1.00 0.00 S ATOM 666 CE MET A 42 4.981 4.709 -6.934 1.00 0.00 C ATOM 0 H MET A 42 3.827 4.353 -4.246 1.00 0.00 H new ATOM 0 HA MET A 42 2.301 6.843 -3.600 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.541 4.827 -5.910 1.00 0.00 H new ATOM 0 HB3 MET A 42 1.406 6.162 -5.950 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.094 7.786 -6.123 1.00 0.00 H new ATOM 0 HG3 MET A 42 4.269 6.816 -5.258 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.759 3.853 -7.571 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.057 4.880 -6.918 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.631 4.508 -5.922 1.00 0.00 H new ATOM 676 N LYS A 43 0.099 5.908 -2.995 1.00 0.00 N ATOM 677 CA LYS A 43 -1.172 5.301 -2.502 1.00 0.00 C ATOM 678 C LYS A 43 -2.366 5.850 -3.287 1.00 0.00 C ATOM 679 O LYS A 43 -2.458 7.032 -3.554 1.00 0.00 O ATOM 680 CB LYS A 43 -1.260 5.708 -1.029 1.00 0.00 C ATOM 681 CG LYS A 43 -2.690 5.507 -0.523 1.00 0.00 C ATOM 682 CD LYS A 43 -3.465 6.820 -0.650 1.00 0.00 C ATOM 683 CE LYS A 43 -4.959 6.550 -0.465 1.00 0.00 C ATOM 684 NZ LYS A 43 -5.257 6.986 0.927 1.00 0.00 N ATOM 0 H LYS A 43 0.170 6.919 -2.882 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.187 4.218 -2.627 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.567 5.112 -0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.966 6.751 -0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.184 4.724 -1.098 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.677 5.179 0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.118 7.533 0.098 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.284 7.269 -1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.554 7.107 -1.189 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.190 5.494 -0.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.281 6.928 1.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.759 6.368 1.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.939 7.967 1.059 1.00 0.00 H new ATOM 698 N LYS A 44 -3.283 4.997 -3.659 1.00 0.00 N ATOM 699 CA LYS A 44 -4.474 5.466 -4.426 1.00 0.00 C ATOM 700 C LYS A 44 -5.722 4.688 -3.989 1.00 0.00 C ATOM 701 O LYS A 44 -5.777 3.476 -4.083 1.00 0.00 O ATOM 702 CB LYS A 44 -4.143 5.172 -5.889 1.00 0.00 C ATOM 703 CG LYS A 44 -2.730 5.670 -6.204 1.00 0.00 C ATOM 704 CD LYS A 44 -2.520 5.686 -7.719 1.00 0.00 C ATOM 705 CE LYS A 44 -1.183 6.356 -8.044 1.00 0.00 C ATOM 706 NZ LYS A 44 -0.566 5.494 -9.090 1.00 0.00 N ATOM 0 H LYS A 44 -3.259 3.996 -3.465 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.684 6.523 -4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.214 4.101 -6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.866 5.661 -6.542 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.586 6.670 -5.796 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.991 5.023 -5.731 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.533 4.668 -8.109 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.335 6.223 -8.204 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.329 7.374 -8.406 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.548 6.420 -7.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.453 5.695 -9.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.708 4.494 -8.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.011 5.691 -10.009 1.00 0.00 H new ATOM 720 N THR A 45 -6.722 5.376 -3.510 1.00 0.00 N ATOM 721 CA THR A 45 -7.961 4.674 -3.066 1.00 0.00 C ATOM 722 C THR A 45 -9.188 5.261 -3.763 1.00 0.00 C ATOM 723 O THR A 45 -9.237 6.434 -4.080 1.00 0.00 O ATOM 724 CB THR A 45 -8.039 4.922 -1.556 1.00 0.00 C ATOM 725 OG1 THR A 45 -7.082 4.108 -0.896 1.00 0.00 O ATOM 726 CG2 THR A 45 -9.439 4.577 -1.032 1.00 0.00 C ATOM 0 H THR A 45 -6.736 6.391 -3.407 1.00 0.00 H new ATOM 0 HA THR A 45 -7.937 3.612 -3.308 1.00 0.00 H new ATOM 0 HB THR A 45 -7.834 5.974 -1.360 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.129 4.265 0.070 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.480 4.758 0.042 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.179 5.200 -1.534 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.654 3.527 -1.232 1.00 0.00 H new ATOM 734 N ILE A 46 -10.190 4.457 -3.971 1.00 0.00 N ATOM 735 CA ILE A 46 -11.431 4.958 -4.609 1.00 0.00 C ATOM 736 C ILE A 46 -12.567 4.853 -3.599 1.00 0.00 C ATOM 737 O ILE A 46 -13.644 4.389 -3.901 1.00 0.00 O ATOM 738 CB ILE A 46 -11.680 4.028 -5.789 1.00 0.00 C ATOM 739 CG1 ILE A 46 -12.959 4.461 -6.507 1.00 0.00 C ATOM 740 CG2 ILE A 46 -11.840 2.598 -5.272 1.00 0.00 C ATOM 741 CD1 ILE A 46 -12.592 5.201 -7.793 1.00 0.00 C ATOM 0 H ILE A 46 -10.200 3.467 -3.724 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.358 5.996 -4.934 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.841 4.073 -6.483 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -13.573 3.590 -6.738 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.552 5.106 -5.859 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.019 1.926 -6.111 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.931 2.295 -4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -12.684 2.552 -4.584 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -13.502 5.511 -8.307 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.996 6.080 -7.549 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.016 4.540 -8.441 1.00 0.00 H new ATOM 753 N TYR A 47 -12.319 5.260 -2.390 1.00 0.00 N ATOM 754 CA TYR A 47 -13.373 5.167 -1.342 1.00 0.00 C ATOM 755 C TYR A 47 -14.423 6.263 -1.539 1.00 0.00 C ATOM 756 O TYR A 47 -14.302 7.110 -2.402 1.00 0.00 O ATOM 757 CB TYR A 47 -12.653 5.384 -0.007 1.00 0.00 C ATOM 758 CG TYR A 47 -12.024 4.102 0.502 1.00 0.00 C ATOM 759 CD1 TYR A 47 -12.560 2.851 0.165 1.00 0.00 C ATOM 760 CD2 TYR A 47 -10.891 4.174 1.323 1.00 0.00 C ATOM 761 CE1 TYR A 47 -11.963 1.681 0.647 1.00 0.00 C ATOM 762 CE2 TYR A 47 -10.296 3.003 1.804 1.00 0.00 C ATOM 763 CZ TYR A 47 -10.831 1.756 1.466 1.00 0.00 C ATOM 764 OH TYR A 47 -10.244 0.602 1.940 1.00 0.00 O ATOM 0 H TYR A 47 -11.431 5.654 -2.079 1.00 0.00 H new ATOM 0 HA TYR A 47 -13.886 4.206 -1.383 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -11.882 6.145 -0.128 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -13.360 5.761 0.732 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -13.434 2.790 -0.467 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.476 5.136 1.585 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.377 0.718 0.386 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.423 3.062 2.437 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.468 0.833 2.493 1.00 0.00 H new ATOM 774 N GLU A 48 -15.445 6.257 -0.727 1.00 0.00 N ATOM 775 CA GLU A 48 -16.499 7.301 -0.842 1.00 0.00 C ATOM 776 C GLU A 48 -16.262 8.380 0.210 1.00 0.00 C ATOM 777 O GLU A 48 -15.772 9.452 -0.088 1.00 0.00 O ATOM 778 CB GLU A 48 -17.816 6.571 -0.578 1.00 0.00 C ATOM 779 CG GLU A 48 -18.715 6.677 -1.812 1.00 0.00 C ATOM 780 CD GLU A 48 -20.157 6.931 -1.372 1.00 0.00 C ATOM 781 OE1 GLU A 48 -20.356 7.790 -0.530 1.00 0.00 O ATOM 782 OE2 GLU A 48 -21.039 6.262 -1.884 1.00 0.00 O ATOM 0 H GLU A 48 -15.594 5.571 0.013 1.00 0.00 H new ATOM 0 HA GLU A 48 -16.501 7.790 -1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -17.623 5.524 -0.344 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -18.317 7.004 0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -18.372 7.487 -2.456 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -18.658 5.759 -2.396 1.00 0.00 H new ATOM 789 N ASN A 49 -16.628 8.091 1.432 1.00 0.00 N ATOM 790 CA ASN A 49 -16.462 9.059 2.570 1.00 0.00 C ATOM 791 C ASN A 49 -17.689 9.954 2.651 1.00 0.00 C ATOM 792 O ASN A 49 -17.974 10.555 3.668 1.00 0.00 O ATOM 793 CB ASN A 49 -15.204 9.883 2.280 1.00 0.00 C ATOM 794 CG ASN A 49 -14.464 10.171 3.588 1.00 0.00 C ATOM 795 OD1 ASN A 49 -13.557 9.452 3.957 1.00 0.00 O ATOM 796 ND2 ASN A 49 -14.815 11.199 4.310 1.00 0.00 N ATOM 0 H ASN A 49 -17.047 7.201 1.700 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.360 8.543 3.525 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -14.553 9.341 1.594 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -15.475 10.818 1.791 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -14.328 11.399 5.184 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -15.576 11.803 4.001 1.00 0.00 H new ATOM 803 N GLU A 50 -18.432 10.020 1.589 1.00 0.00 N ATOM 804 CA GLU A 50 -19.665 10.841 1.595 1.00 0.00 C ATOM 805 C GLU A 50 -20.863 9.923 1.835 1.00 0.00 C ATOM 806 O GLU A 50 -21.995 10.360 1.882 1.00 0.00 O ATOM 807 CB GLU A 50 -19.734 11.474 0.205 1.00 0.00 C ATOM 808 CG GLU A 50 -20.148 12.942 0.331 1.00 0.00 C ATOM 809 CD GLU A 50 -21.674 13.047 0.293 1.00 0.00 C ATOM 810 OE1 GLU A 50 -22.271 12.409 -0.559 1.00 0.00 O ATOM 811 OE2 GLU A 50 -22.218 13.765 1.116 1.00 0.00 O ATOM 0 H GLU A 50 -18.237 9.537 0.712 1.00 0.00 H new ATOM 0 HA GLU A 50 -19.668 11.604 2.374 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -18.765 11.400 -0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -20.450 10.936 -0.416 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -19.767 13.360 1.263 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -19.712 13.525 -0.481 1.00 0.00 H new ATOM 818 N ARG A 51 -20.616 8.645 1.990 1.00 0.00 N ATOM 819 CA ARG A 51 -21.745 7.700 2.228 1.00 0.00 C ATOM 820 C ARG A 51 -21.223 6.312 2.620 1.00 0.00 C ATOM 821 O ARG A 51 -21.882 5.577 3.328 1.00 0.00 O ATOM 822 CB ARG A 51 -22.493 7.635 0.896 1.00 0.00 C ATOM 823 CG ARG A 51 -24.000 7.612 1.156 1.00 0.00 C ATOM 824 CD ARG A 51 -24.551 6.218 0.846 1.00 0.00 C ATOM 825 NE ARG A 51 -24.143 5.376 2.005 1.00 0.00 N ATOM 826 CZ ARG A 51 -25.038 4.964 2.859 1.00 0.00 C ATOM 827 NH1 ARG A 51 -26.217 4.590 2.440 1.00 0.00 N ATOM 828 NH2 ARG A 51 -24.756 4.924 4.133 1.00 0.00 N ATOM 0 H ARG A 51 -19.689 8.221 1.962 1.00 0.00 H new ATOM 0 HA ARG A 51 -22.386 8.031 3.045 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -22.233 8.495 0.279 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -22.195 6.744 0.343 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -24.205 7.873 2.194 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -24.498 8.358 0.536 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -25.635 6.238 0.735 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -24.142 5.830 -0.087 1.00 0.00 H new ATOM 0 HE ARG A 51 -23.163 5.122 2.131 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -26.438 4.620 1.445 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -26.917 4.268 3.108 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -23.835 5.215 4.461 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -25.457 4.602 4.801 1.00 0.00 H new ATOM 842 N GLU A 52 -20.057 5.938 2.164 1.00 0.00 N ATOM 843 CA GLU A 52 -19.529 4.587 2.521 1.00 0.00 C ATOM 844 C GLU A 52 -18.057 4.447 2.122 1.00 0.00 C ATOM 845 O GLU A 52 -17.387 5.411 1.812 1.00 0.00 O ATOM 846 CB GLU A 52 -20.385 3.617 1.710 1.00 0.00 C ATOM 847 CG GLU A 52 -20.277 3.975 0.226 1.00 0.00 C ATOM 848 CD GLU A 52 -21.479 3.402 -0.528 1.00 0.00 C ATOM 849 OE1 GLU A 52 -22.397 2.938 0.127 1.00 0.00 O ATOM 850 OE2 GLU A 52 -21.459 3.438 -1.747 1.00 0.00 O ATOM 0 H GLU A 52 -19.452 6.502 1.566 1.00 0.00 H new ATOM 0 HA GLU A 52 -19.578 4.402 3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -20.051 2.593 1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -21.424 3.670 2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -20.241 5.058 0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -19.351 3.576 -0.188 1.00 0.00 H new ATOM 857 N ILE A 53 -17.560 3.239 2.123 1.00 0.00 N ATOM 858 CA ILE A 53 -16.137 3.003 1.743 1.00 0.00 C ATOM 859 C ILE A 53 -16.080 2.124 0.491 1.00 0.00 C ATOM 860 O ILE A 53 -16.478 0.976 0.511 1.00 0.00 O ATOM 861 CB ILE A 53 -15.522 2.280 2.941 1.00 0.00 C ATOM 862 CG1 ILE A 53 -15.753 3.108 4.208 1.00 0.00 C ATOM 863 CG2 ILE A 53 -14.020 2.103 2.717 1.00 0.00 C ATOM 864 CD1 ILE A 53 -15.017 4.444 4.085 1.00 0.00 C ATOM 0 H ILE A 53 -18.083 2.400 2.373 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.603 3.925 1.514 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.990 1.302 3.053 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -16.819 3.280 4.354 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -15.396 2.563 5.082 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -13.583 1.587 3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -13.854 1.515 1.815 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.551 3.081 2.604 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -15.181 5.034 4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -13.950 4.261 3.960 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -15.395 4.990 3.221 1.00 0.00 H new ATOM 876 N LYS A 54 -15.610 2.659 -0.601 1.00 0.00 N ATOM 877 CA LYS A 54 -15.553 1.856 -1.859 1.00 0.00 C ATOM 878 C LYS A 54 -14.330 0.930 -1.894 1.00 0.00 C ATOM 879 O LYS A 54 -14.462 -0.265 -1.715 1.00 0.00 O ATOM 880 CB LYS A 54 -15.483 2.870 -2.993 1.00 0.00 C ATOM 881 CG LYS A 54 -16.793 2.831 -3.780 1.00 0.00 C ATOM 882 CD LYS A 54 -16.876 4.051 -4.698 1.00 0.00 C ATOM 883 CE LYS A 54 -17.242 3.601 -6.115 1.00 0.00 C ATOM 884 NZ LYS A 54 -16.188 2.616 -6.489 1.00 0.00 N ATOM 0 H LYS A 54 -15.263 3.615 -0.679 1.00 0.00 H new ATOM 0 HA LYS A 54 -16.424 1.206 -1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.314 3.870 -2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.643 2.643 -3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -16.848 1.916 -4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -17.641 2.821 -3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.623 4.751 -4.323 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.922 4.578 -4.707 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -18.233 3.148 -6.142 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.258 4.444 -6.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.907 2.767 -7.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.361 2.741 -5.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -16.560 1.651 -6.379 1.00 0.00 H new ATOM 898 N GLY A 55 -13.140 1.435 -2.141 1.00 0.00 N ATOM 899 CA GLY A 55 -11.979 0.500 -2.191 1.00 0.00 C ATOM 900 C GLY A 55 -10.680 1.215 -1.831 1.00 0.00 C ATOM 901 O GLY A 55 -10.670 2.381 -1.502 1.00 0.00 O ATOM 0 H GLY A 55 -12.931 2.420 -2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.145 -0.328 -1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.897 0.071 -3.190 1.00 0.00 H new ATOM 905 N TYR A 56 -9.580 0.510 -1.886 1.00 0.00 N ATOM 906 CA TYR A 56 -8.275 1.135 -1.538 1.00 0.00 C ATOM 907 C TYR A 56 -7.115 0.332 -2.141 1.00 0.00 C ATOM 908 O TYR A 56 -6.551 -0.534 -1.501 1.00 0.00 O ATOM 909 CB TYR A 56 -8.235 1.101 -0.002 1.00 0.00 C ATOM 910 CG TYR A 56 -6.806 1.097 0.506 1.00 0.00 C ATOM 911 CD1 TYR A 56 -5.800 1.786 -0.186 1.00 0.00 C ATOM 912 CD2 TYR A 56 -6.493 0.402 1.681 1.00 0.00 C ATOM 913 CE1 TYR A 56 -4.486 1.777 0.297 1.00 0.00 C ATOM 914 CE2 TYR A 56 -5.178 0.394 2.162 1.00 0.00 C ATOM 915 CZ TYR A 56 -4.175 1.080 1.470 1.00 0.00 C ATOM 916 OH TYR A 56 -2.879 1.072 1.944 1.00 0.00 O ATOM 0 H TYR A 56 -9.532 -0.472 -2.157 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.176 2.148 -1.929 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -8.764 1.966 0.398 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -8.755 0.214 0.359 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.039 2.324 -1.092 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -7.267 -0.128 2.217 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.712 2.308 -0.236 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.938 -0.142 3.068 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.835 0.543 2.768 1.00 0.00 H new ATOM 926 N GLU A 57 -6.729 0.636 -3.351 1.00 0.00 N ATOM 927 CA GLU A 57 -5.577 -0.088 -3.962 1.00 0.00 C ATOM 928 C GLU A 57 -4.302 0.652 -3.570 1.00 0.00 C ATOM 929 O GLU A 57 -4.343 1.824 -3.250 1.00 0.00 O ATOM 930 CB GLU A 57 -5.805 -0.028 -5.472 1.00 0.00 C ATOM 931 CG GLU A 57 -5.732 1.425 -5.946 1.00 0.00 C ATOM 932 CD GLU A 57 -5.910 1.479 -7.464 1.00 0.00 C ATOM 933 OE1 GLU A 57 -6.908 0.965 -7.941 1.00 0.00 O ATOM 934 OE2 GLU A 57 -5.045 2.032 -8.123 1.00 0.00 O ATOM 0 H GLU A 57 -7.158 1.350 -3.940 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.489 -1.123 -3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.054 -0.627 -5.987 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.777 -0.453 -5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.506 2.017 -5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.773 1.862 -5.666 1.00 0.00 H new ATOM 941 N TYR A 58 -3.173 0.003 -3.550 1.00 0.00 N ATOM 942 CA TYR A 58 -1.950 0.746 -3.125 1.00 0.00 C ATOM 943 C TYR A 58 -0.701 0.362 -3.912 1.00 0.00 C ATOM 944 O TYR A 58 -0.293 -0.781 -3.944 1.00 0.00 O ATOM 945 CB TYR A 58 -1.759 0.366 -1.661 1.00 0.00 C ATOM 946 CG TYR A 58 -0.470 0.967 -1.147 1.00 0.00 C ATOM 947 CD1 TYR A 58 0.068 2.108 -1.757 1.00 0.00 C ATOM 948 CD2 TYR A 58 0.174 0.399 -0.042 1.00 0.00 C ATOM 949 CE1 TYR A 58 1.244 2.679 -1.262 1.00 0.00 C ATOM 950 CE2 TYR A 58 1.355 0.968 0.449 1.00 0.00 C ATOM 951 CZ TYR A 58 1.886 2.110 -0.160 1.00 0.00 C ATOM 952 OH TYR A 58 3.038 2.682 0.332 1.00 0.00 O ATOM 0 H TYR A 58 -3.041 -0.977 -3.800 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.084 1.814 -3.296 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.601 0.724 -1.069 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -1.734 -0.719 -1.556 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.427 2.547 -2.611 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.240 -0.479 0.432 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.656 3.560 -1.732 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.856 0.526 1.297 1.00 0.00 H new ATOM 0 HH TYR A 58 3.107 2.503 1.293 1.00 0.00 H new ATOM 962 N GLN A 59 -0.057 1.335 -4.495 1.00 0.00 N ATOM 963 CA GLN A 59 1.209 1.068 -5.224 1.00 0.00 C ATOM 964 C GLN A 59 2.369 1.385 -4.273 1.00 0.00 C ATOM 965 O GLN A 59 2.774 2.521 -4.129 1.00 0.00 O ATOM 966 CB GLN A 59 1.200 2.028 -6.416 1.00 0.00 C ATOM 967 CG GLN A 59 -0.011 1.730 -7.302 1.00 0.00 C ATOM 968 CD GLN A 59 0.256 2.241 -8.720 1.00 0.00 C ATOM 969 OE1 GLN A 59 -0.552 2.951 -9.284 1.00 0.00 O ATOM 970 NE2 GLN A 59 1.364 1.906 -9.323 1.00 0.00 N ATOM 0 H GLN A 59 -0.358 2.310 -4.496 1.00 0.00 H new ATOM 0 HA GLN A 59 1.312 0.037 -5.562 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.163 3.059 -6.066 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.120 1.920 -6.991 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.206 0.658 -7.321 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.901 2.209 -6.893 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.042 1.310 -8.849 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.552 2.241 -10.268 1.00 0.00 H new ATOM 979 N LEU A 60 2.893 0.390 -3.613 1.00 0.00 N ATOM 980 CA LEU A 60 4.011 0.629 -2.656 1.00 0.00 C ATOM 981 C LEU A 60 5.326 0.336 -3.351 1.00 0.00 C ATOM 982 O LEU A 60 6.003 -0.624 -3.050 1.00 0.00 O ATOM 983 CB LEU A 60 3.776 -0.354 -1.504 1.00 0.00 C ATOM 984 CG LEU A 60 4.956 -0.307 -0.524 1.00 0.00 C ATOM 985 CD1 LEU A 60 4.735 0.803 0.503 1.00 0.00 C ATOM 986 CD2 LEU A 60 5.068 -1.648 0.204 1.00 0.00 C ATOM 0 H LEU A 60 2.595 -0.582 -3.695 1.00 0.00 H new ATOM 0 HA LEU A 60 4.048 1.657 -2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.851 -0.104 -0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.658 -1.364 -1.896 1.00 0.00 H new ATOM 0 HG LEU A 60 5.873 -0.110 -1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.576 0.831 1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.655 1.762 -0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.816 0.609 1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.906 -1.615 0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.147 -1.842 0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.231 -2.444 -0.523 1.00 0.00 H new ATOM 998 N TYR A 61 5.691 1.157 -4.287 1.00 0.00 N ATOM 999 CA TYR A 61 6.955 0.924 -5.011 1.00 0.00 C ATOM 1000 C TYR A 61 8.129 1.262 -4.090 1.00 0.00 C ATOM 1001 O TYR A 61 8.354 2.402 -3.745 1.00 0.00 O ATOM 1002 CB TYR A 61 6.846 1.852 -6.214 1.00 0.00 C ATOM 1003 CG TYR A 61 8.194 2.042 -6.876 1.00 0.00 C ATOM 1004 CD1 TYR A 61 9.231 1.127 -6.649 1.00 0.00 C ATOM 1005 CD2 TYR A 61 8.403 3.134 -7.726 1.00 0.00 C ATOM 1006 CE1 TYR A 61 10.473 1.308 -7.267 1.00 0.00 C ATOM 1007 CE2 TYR A 61 9.646 3.314 -8.346 1.00 0.00 C ATOM 1008 CZ TYR A 61 10.681 2.402 -8.116 1.00 0.00 C ATOM 1009 OH TYR A 61 11.906 2.579 -8.726 1.00 0.00 O ATOM 0 H TYR A 61 5.165 1.980 -4.580 1.00 0.00 H new ATOM 0 HA TYR A 61 7.123 -0.106 -5.327 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.139 1.439 -6.933 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.452 2.818 -5.898 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.071 0.281 -5.996 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.605 3.839 -7.904 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.272 0.603 -7.089 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.805 4.157 -9.002 1.00 0.00 H new ATOM 0 HH TYR A 61 11.881 3.385 -9.282 1.00 0.00 H new ATOM 1019 N VAL A 62 8.859 0.260 -3.672 1.00 0.00 N ATOM 1020 CA VAL A 62 10.009 0.480 -2.753 1.00 0.00 C ATOM 1021 C VAL A 62 10.929 -0.731 -2.816 1.00 0.00 C ATOM 1022 O VAL A 62 10.830 -1.553 -3.706 1.00 0.00 O ATOM 1023 CB VAL A 62 9.397 0.572 -1.352 1.00 0.00 C ATOM 1024 CG1 VAL A 62 8.357 1.691 -1.294 1.00 0.00 C ATOM 1025 CG2 VAL A 62 8.726 -0.758 -1.010 1.00 0.00 C ATOM 0 H VAL A 62 8.702 -0.713 -3.934 1.00 0.00 H new ATOM 0 HA VAL A 62 10.582 1.371 -3.011 1.00 0.00 H new ATOM 0 HB VAL A 62 10.188 0.790 -0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.933 1.742 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.832 2.642 -1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.564 1.488 -2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.288 -0.699 -0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.943 -0.968 -1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.468 -1.556 -1.034 1.00 0.00 H new ATOM 1035 N TYR A 63 11.800 -0.868 -1.866 1.00 0.00 N ATOM 1036 CA TYR A 63 12.696 -2.051 -1.863 1.00 0.00 C ATOM 1037 C TYR A 63 12.878 -2.559 -0.437 1.00 0.00 C ATOM 1038 O TYR A 63 13.177 -1.805 0.468 1.00 0.00 O ATOM 1039 CB TYR A 63 14.027 -1.575 -2.437 1.00 0.00 C ATOM 1040 CG TYR A 63 14.958 -2.757 -2.616 1.00 0.00 C ATOM 1041 CD1 TYR A 63 14.453 -4.069 -2.641 1.00 0.00 C ATOM 1042 CD2 TYR A 63 16.330 -2.539 -2.760 1.00 0.00 C ATOM 1043 CE1 TYR A 63 15.323 -5.151 -2.811 1.00 0.00 C ATOM 1044 CE2 TYR A 63 17.201 -3.624 -2.930 1.00 0.00 C ATOM 1045 CZ TYR A 63 16.696 -4.929 -2.955 1.00 0.00 C ATOM 1046 OH TYR A 63 17.554 -5.997 -3.123 1.00 0.00 O ATOM 0 H TYR A 63 11.932 -0.216 -1.093 1.00 0.00 H new ATOM 0 HA TYR A 63 12.286 -2.871 -2.452 1.00 0.00 H new ATOM 0 HB2 TYR A 63 13.865 -1.079 -3.394 1.00 0.00 H new ATOM 0 HB3 TYR A 63 14.480 -0.841 -1.771 1.00 0.00 H new ATOM 0 HD1 TYR A 63 13.393 -4.241 -2.529 1.00 0.00 H new ATOM 0 HD2 TYR A 63 16.721 -1.532 -2.740 1.00 0.00 H new ATOM 0 HE1 TYR A 63 14.934 -6.158 -2.831 1.00 0.00 H new ATOM 0 HE2 TYR A 63 18.262 -3.453 -3.042 1.00 0.00 H new ATOM 0 HH TYR A 63 18.473 -5.668 -3.209 1.00 0.00 H new ATOM 1056 N ALA A 64 12.694 -3.829 -0.228 1.00 0.00 N ATOM 1057 CA ALA A 64 12.852 -4.387 1.138 1.00 0.00 C ATOM 1058 C ALA A 64 13.858 -5.546 1.117 1.00 0.00 C ATOM 1059 O ALA A 64 15.019 -5.357 0.812 1.00 0.00 O ATOM 1060 CB ALA A 64 11.455 -4.869 1.510 1.00 0.00 C ATOM 0 H ALA A 64 12.440 -4.506 -0.947 1.00 0.00 H new ATOM 0 HA ALA A 64 13.235 -3.663 1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.473 -5.300 2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 64 10.762 -4.028 1.490 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.129 -5.625 0.795 1.00 0.00 H new ATOM 1066 N SER A 65 13.428 -6.741 1.429 1.00 0.00 N ATOM 1067 CA SER A 65 14.369 -7.898 1.411 1.00 0.00 C ATOM 1068 C SER A 65 14.248 -8.642 0.078 1.00 0.00 C ATOM 1069 O SER A 65 15.232 -8.973 -0.553 1.00 0.00 O ATOM 1070 CB SER A 65 13.922 -8.791 2.567 1.00 0.00 C ATOM 1071 OG SER A 65 13.139 -9.862 2.056 1.00 0.00 O ATOM 0 H SER A 65 12.469 -6.964 1.695 1.00 0.00 H new ATOM 0 HA SER A 65 15.410 -7.592 1.517 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.791 -9.181 3.098 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.342 -8.212 3.286 1.00 0.00 H new ATOM 0 HG SER A 65 12.852 -10.438 2.795 1.00 0.00 H new ATOM 1077 N ASP A 66 13.044 -8.903 -0.356 1.00 0.00 N ATOM 1078 CA ASP A 66 12.851 -9.619 -1.652 1.00 0.00 C ATOM 1079 C ASP A 66 11.881 -8.837 -2.544 1.00 0.00 C ATOM 1080 O ASP A 66 11.600 -9.221 -3.661 1.00 0.00 O ATOM 1081 CB ASP A 66 12.258 -10.976 -1.272 1.00 0.00 C ATOM 1082 CG ASP A 66 13.126 -12.093 -1.851 1.00 0.00 C ATOM 1083 OD1 ASP A 66 13.650 -11.906 -2.938 1.00 0.00 O ATOM 1084 OD2 ASP A 66 13.253 -13.117 -1.201 1.00 0.00 O ATOM 0 H ASP A 66 12.184 -8.651 0.131 1.00 0.00 H new ATOM 0 HA ASP A 66 13.781 -9.726 -2.210 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.202 -11.069 -0.187 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.240 -11.059 -1.652 1.00 0.00 H new ATOM 1089 N LYS A 67 11.374 -7.740 -2.054 1.00 0.00 N ATOM 1090 CA LYS A 67 10.426 -6.919 -2.862 1.00 0.00 C ATOM 1091 C LYS A 67 11.192 -5.812 -3.590 1.00 0.00 C ATOM 1092 O LYS A 67 11.406 -4.735 -3.069 1.00 0.00 O ATOM 1093 CB LYS A 67 9.450 -6.346 -1.832 1.00 0.00 C ATOM 1094 CG LYS A 67 8.889 -4.998 -2.299 1.00 0.00 C ATOM 1095 CD LYS A 67 9.520 -3.877 -1.471 1.00 0.00 C ATOM 1096 CE LYS A 67 8.656 -3.597 -0.238 1.00 0.00 C ATOM 1097 NZ LYS A 67 8.440 -4.927 0.400 1.00 0.00 N ATOM 0 H LYS A 67 11.576 -7.374 -1.124 1.00 0.00 H new ATOM 0 HA LYS A 67 9.907 -7.490 -3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.632 -7.048 -1.670 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.957 -6.221 -0.875 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.102 -4.849 -3.357 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.805 -4.983 -2.187 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.527 -4.161 -1.165 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.613 -2.974 -2.075 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.156 -2.910 0.445 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.709 -3.136 -0.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.315 -4.804 1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.590 -5.371 -0.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.265 -5.535 0.223 1.00 0.00 H new ATOM 1111 N LEU A 68 11.603 -6.081 -4.790 1.00 0.00 N ATOM 1112 CA LEU A 68 12.359 -5.065 -5.578 1.00 0.00 C ATOM 1113 C LEU A 68 11.414 -4.308 -6.509 1.00 0.00 C ATOM 1114 O LEU A 68 11.562 -4.355 -7.713 1.00 0.00 O ATOM 1115 CB LEU A 68 13.354 -5.875 -6.407 1.00 0.00 C ATOM 1116 CG LEU A 68 14.678 -5.994 -5.652 1.00 0.00 C ATOM 1117 CD1 LEU A 68 15.582 -7.003 -6.361 1.00 0.00 C ATOM 1118 CD2 LEU A 68 15.368 -4.629 -5.617 1.00 0.00 C ATOM 0 H LEU A 68 11.449 -6.969 -5.268 1.00 0.00 H new ATOM 0 HA LEU A 68 12.846 -4.330 -4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 68 12.950 -6.867 -6.610 1.00 0.00 H new ATOM 0 HB3 LEU A 68 13.516 -5.393 -7.371 1.00 0.00 H new ATOM 0 HG LEU A 68 14.486 -6.332 -4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 68 16.526 -7.087 -5.822 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.091 -7.976 -6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 68 15.775 -6.666 -7.380 1.00 0.00 H new ATOM 0 HD21 LEU A 68 16.312 -4.712 -5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 68 15.559 -4.292 -6.636 1.00 0.00 H new ATOM 0 HD23 LEU A 68 14.725 -3.909 -5.111 1.00 0.00 H new ATOM 1130 N PHE A 69 10.447 -3.606 -5.974 1.00 0.00 N ATOM 1131 CA PHE A 69 9.507 -2.856 -6.852 1.00 0.00 C ATOM 1132 C PHE A 69 8.299 -2.371 -6.051 1.00 0.00 C ATOM 1133 O PHE A 69 8.436 -1.528 -5.204 1.00 0.00 O ATOM 1134 CB PHE A 69 9.077 -3.821 -7.954 1.00 0.00 C ATOM 1135 CG PHE A 69 8.905 -5.224 -7.400 1.00 0.00 C ATOM 1136 CD1 PHE A 69 8.549 -5.423 -6.058 1.00 0.00 C ATOM 1137 CD2 PHE A 69 9.108 -6.329 -8.236 1.00 0.00 C ATOM 1138 CE1 PHE A 69 8.398 -6.720 -5.557 1.00 0.00 C ATOM 1139 CE2 PHE A 69 8.955 -7.627 -7.733 1.00 0.00 C ATOM 1140 CZ PHE A 69 8.601 -7.822 -6.394 1.00 0.00 C ATOM 0 H PHE A 69 10.271 -3.522 -4.973 1.00 0.00 H new ATOM 0 HA PHE A 69 9.983 -1.972 -7.275 1.00 0.00 H new ATOM 0 HB2 PHE A 69 8.140 -3.482 -8.397 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.822 -3.827 -8.750 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.391 -4.573 -5.410 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.383 -6.180 -9.270 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.124 -6.871 -4.523 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.110 -8.478 -8.379 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.484 -8.823 -6.006 1.00 0.00 H new ATOM 1150 N ARG A 70 7.113 -2.870 -6.306 1.00 0.00 N ATOM 1151 CA ARG A 70 5.945 -2.354 -5.535 1.00 0.00 C ATOM 1152 C ARG A 70 5.052 -3.452 -4.972 1.00 0.00 C ATOM 1153 O ARG A 70 4.859 -4.494 -5.565 1.00 0.00 O ATOM 1154 CB ARG A 70 5.130 -1.558 -6.547 1.00 0.00 C ATOM 1155 CG ARG A 70 3.864 -1.010 -5.866 1.00 0.00 C ATOM 1156 CD ARG A 70 2.628 -1.655 -6.498 1.00 0.00 C ATOM 1157 NE ARG A 70 2.241 -0.742 -7.609 1.00 0.00 N ATOM 1158 CZ ARG A 70 2.778 -0.884 -8.789 1.00 0.00 C ATOM 1159 NH1 ARG A 70 2.330 -1.801 -9.603 1.00 0.00 N ATOM 1160 NH2 ARG A 70 3.764 -0.111 -9.155 1.00 0.00 N ATOM 0 H ARG A 70 6.908 -3.593 -6.996 1.00 0.00 H new ATOM 0 HA ARG A 70 6.301 -1.780 -4.680 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.726 -0.737 -6.946 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.857 -2.192 -7.390 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.892 -1.222 -4.797 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.819 0.074 -5.975 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.851 -2.655 -6.869 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.821 -1.757 -5.772 1.00 0.00 H new ATOM 0 HE ARG A 70 1.555 -0.005 -7.447 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.560 -2.406 -9.316 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.749 -1.913 -10.526 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.115 0.604 -8.518 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.184 -0.222 -10.078 1.00 0.00 H new ATOM 1174 N ALA A 71 4.440 -3.165 -3.858 1.00 0.00 N ATOM 1175 CA ALA A 71 3.474 -4.112 -3.258 1.00 0.00 C ATOM 1176 C ALA A 71 2.082 -3.579 -3.599 1.00 0.00 C ATOM 1177 O ALA A 71 1.548 -2.727 -2.914 1.00 0.00 O ATOM 1178 CB ALA A 71 3.731 -4.060 -1.750 1.00 0.00 C ATOM 0 H ALA A 71 4.574 -2.300 -3.334 1.00 0.00 H new ATOM 0 HA ALA A 71 3.564 -5.138 -3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.048 -4.740 -1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.759 -4.358 -1.546 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.569 -3.045 -1.388 1.00 0.00 H new ATOM 1184 N ASP A 72 1.514 -4.030 -4.682 1.00 0.00 N ATOM 1185 CA ASP A 72 0.182 -3.506 -5.094 1.00 0.00 C ATOM 1186 C ASP A 72 -0.907 -4.002 -4.148 1.00 0.00 C ATOM 1187 O ASP A 72 -1.623 -4.929 -4.457 1.00 0.00 O ATOM 1188 CB ASP A 72 -0.042 -4.054 -6.504 1.00 0.00 C ATOM 1189 CG ASP A 72 -0.762 -3.003 -7.351 1.00 0.00 C ATOM 1190 OD1 ASP A 72 -0.083 -2.184 -7.947 1.00 0.00 O ATOM 1191 OD2 ASP A 72 -1.981 -3.035 -7.389 1.00 0.00 O ATOM 0 H ASP A 72 1.913 -4.737 -5.299 1.00 0.00 H new ATOM 0 HA ASP A 72 0.146 -2.417 -5.067 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.913 -4.313 -6.961 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.633 -4.969 -6.461 1.00 0.00 H new ATOM 1196 N ILE A 73 -1.040 -3.383 -3.006 1.00 0.00 N ATOM 1197 CA ILE A 73 -2.086 -3.817 -2.037 1.00 0.00 C ATOM 1198 C ILE A 73 -3.475 -3.493 -2.601 1.00 0.00 C ATOM 1199 O ILE A 73 -3.881 -2.350 -2.673 1.00 0.00 O ATOM 1200 CB ILE A 73 -1.772 -3.025 -0.752 1.00 0.00 C ATOM 1201 CG1 ILE A 73 -1.246 -3.989 0.314 1.00 0.00 C ATOM 1202 CG2 ILE A 73 -3.022 -2.316 -0.213 1.00 0.00 C ATOM 1203 CD1 ILE A 73 -2.375 -4.913 0.772 1.00 0.00 C ATOM 0 H ILE A 73 -0.469 -2.595 -2.702 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.086 -4.889 -1.842 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.024 -2.269 -0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.422 -4.577 -0.088 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.853 -3.429 1.163 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.766 -1.767 0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.399 -1.622 -0.964 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.790 -3.055 0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.999 -5.599 1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.186 -4.317 1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.747 -5.483 -0.080 1.00 0.00 H new ATOM 1215 N SER A 74 -4.197 -4.499 -3.010 1.00 0.00 N ATOM 1216 CA SER A 74 -5.552 -4.271 -3.583 1.00 0.00 C ATOM 1217 C SER A 74 -6.632 -4.630 -2.555 1.00 0.00 C ATOM 1218 O SER A 74 -6.772 -5.775 -2.173 1.00 0.00 O ATOM 1219 CB SER A 74 -5.627 -5.223 -4.777 1.00 0.00 C ATOM 1220 OG SER A 74 -6.033 -4.502 -5.931 1.00 0.00 O ATOM 0 H SER A 74 -3.904 -5.475 -2.971 1.00 0.00 H new ATOM 0 HA SER A 74 -5.714 -3.231 -3.865 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.656 -5.687 -4.948 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.333 -6.028 -4.571 1.00 0.00 H new ATOM 0 HG SER A 74 -6.080 -5.111 -6.697 1.00 0.00 H new ATOM 1226 N GLU A 75 -7.395 -3.671 -2.104 1.00 0.00 N ATOM 1227 CA GLU A 75 -8.457 -3.978 -1.099 1.00 0.00 C ATOM 1228 C GLU A 75 -9.680 -3.083 -1.312 1.00 0.00 C ATOM 1229 O GLU A 75 -9.631 -1.889 -1.089 1.00 0.00 O ATOM 1230 CB GLU A 75 -7.817 -3.670 0.257 1.00 0.00 C ATOM 1231 CG GLU A 75 -6.963 -4.854 0.715 1.00 0.00 C ATOM 1232 CD GLU A 75 -5.804 -4.343 1.572 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -5.328 -3.253 1.301 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -5.411 -5.051 2.485 1.00 0.00 O ATOM 0 H GLU A 75 -7.331 -2.693 -2.385 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.800 -5.010 -1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.201 -2.774 0.182 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.592 -3.463 0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.571 -5.555 1.287 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.579 -5.396 -0.149 1.00 0.00 H new ATOM 1241 N ASP A 76 -10.782 -3.647 -1.726 1.00 0.00 N ATOM 1242 CA ASP A 76 -12.005 -2.816 -1.929 1.00 0.00 C ATOM 1243 C ASP A 76 -12.713 -2.605 -0.579 1.00 0.00 C ATOM 1244 O ASP A 76 -12.071 -2.558 0.452 1.00 0.00 O ATOM 1245 CB ASP A 76 -12.861 -3.620 -2.903 1.00 0.00 C ATOM 1246 CG ASP A 76 -12.325 -3.423 -4.323 1.00 0.00 C ATOM 1247 OD1 ASP A 76 -12.768 -2.494 -4.980 1.00 0.00 O ATOM 1248 OD2 ASP A 76 -11.481 -4.205 -4.731 1.00 0.00 O ATOM 0 H ASP A 76 -10.889 -4.640 -1.932 1.00 0.00 H new ATOM 0 HA ASP A 76 -11.793 -1.822 -2.323 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -12.841 -4.677 -2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.900 -3.297 -2.845 1.00 0.00 H new ATOM 1253 N TYR A 77 -14.019 -2.471 -0.554 1.00 0.00 N ATOM 1254 CA TYR A 77 -14.707 -2.259 0.756 1.00 0.00 C ATOM 1255 C TYR A 77 -16.230 -2.216 0.579 1.00 0.00 C ATOM 1256 O TYR A 77 -16.951 -2.998 1.168 1.00 0.00 O ATOM 1257 CB TYR A 77 -14.186 -0.912 1.257 1.00 0.00 C ATOM 1258 CG TYR A 77 -14.400 -0.803 2.750 1.00 0.00 C ATOM 1259 CD1 TYR A 77 -15.676 -0.987 3.296 1.00 0.00 C ATOM 1260 CD2 TYR A 77 -13.316 -0.515 3.588 1.00 0.00 C ATOM 1261 CE1 TYR A 77 -15.868 -0.886 4.679 1.00 0.00 C ATOM 1262 CE2 TYR A 77 -13.507 -0.414 4.972 1.00 0.00 C ATOM 1263 CZ TYR A 77 -14.783 -0.601 5.517 1.00 0.00 C ATOM 1264 OH TYR A 77 -14.972 -0.500 6.880 1.00 0.00 O ATOM 0 H TYR A 77 -14.628 -2.499 -1.371 1.00 0.00 H new ATOM 0 HA TYR A 77 -14.505 -3.069 1.457 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -13.126 -0.812 1.024 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -14.702 -0.099 0.746 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -16.513 -1.207 2.650 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -12.332 -0.371 3.167 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -16.853 -1.028 5.099 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -12.671 -0.192 5.618 1.00 0.00 H new ATOM 0 HH TYR A 77 -14.117 -0.299 7.315 1.00 0.00 H new ATOM 1274 N LYS A 78 -16.731 -1.316 -0.227 1.00 0.00 N ATOM 1275 CA LYS A 78 -18.206 -1.244 -0.427 1.00 0.00 C ATOM 1276 C LYS A 78 -18.662 -2.512 -1.134 1.00 0.00 C ATOM 1277 O LYS A 78 -19.461 -3.272 -0.625 1.00 0.00 O ATOM 1278 CB LYS A 78 -18.436 -0.017 -1.309 1.00 0.00 C ATOM 1279 CG LYS A 78 -19.871 -0.031 -1.840 1.00 0.00 C ATOM 1280 CD LYS A 78 -20.853 0.057 -0.669 1.00 0.00 C ATOM 1281 CE LYS A 78 -22.141 -0.688 -1.027 1.00 0.00 C ATOM 1282 NZ LYS A 78 -22.354 -1.647 0.092 1.00 0.00 N ATOM 0 H LYS A 78 -16.185 -0.632 -0.752 1.00 0.00 H new ATOM 0 HA LYS A 78 -18.762 -1.163 0.507 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -18.258 0.894 -0.737 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -17.730 -0.015 -2.139 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -20.026 0.806 -2.521 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -20.050 -0.943 -2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -20.407 -0.375 0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -21.074 1.100 -0.443 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -22.981 -0.000 -1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -22.044 -1.208 -1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -23.220 -2.196 -0.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -21.541 -2.293 0.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -22.449 -1.123 0.985 1.00 0.00 H new ATOM 1296 N THR A 79 -18.125 -2.763 -2.290 1.00 0.00 N ATOM 1297 CA THR A 79 -18.487 -4.005 -3.018 1.00 0.00 C ATOM 1298 C THR A 79 -17.664 -5.160 -2.445 1.00 0.00 C ATOM 1299 O THR A 79 -17.739 -6.282 -2.902 1.00 0.00 O ATOM 1300 CB THR A 79 -18.110 -3.741 -4.477 1.00 0.00 C ATOM 1301 OG1 THR A 79 -17.163 -2.685 -4.536 1.00 0.00 O ATOM 1302 CG2 THR A 79 -19.360 -3.355 -5.269 1.00 0.00 C ATOM 0 H THR A 79 -17.450 -2.162 -2.763 1.00 0.00 H new ATOM 0 HA THR A 79 -19.541 -4.266 -2.927 1.00 0.00 H new ATOM 0 HB THR A 79 -17.676 -4.643 -4.909 1.00 0.00 H new ATOM 0 HG1 THR A 79 -16.344 -2.954 -4.071 1.00 0.00 H new ATOM 0 HG21 THR A 79 -19.089 -3.167 -6.308 1.00 0.00 H new ATOM 0 HG22 THR A 79 -20.085 -4.168 -5.224 1.00 0.00 H new ATOM 0 HG23 THR A 79 -19.799 -2.454 -4.840 1.00 0.00 H new ATOM 1310 N ARG A 80 -16.867 -4.879 -1.444 1.00 0.00 N ATOM 1311 CA ARG A 80 -16.023 -5.940 -0.830 1.00 0.00 C ATOM 1312 C ARG A 80 -15.159 -6.598 -1.904 1.00 0.00 C ATOM 1313 O ARG A 80 -14.952 -7.795 -1.904 1.00 0.00 O ATOM 1314 CB ARG A 80 -17.007 -6.944 -0.230 1.00 0.00 C ATOM 1315 CG ARG A 80 -18.007 -6.207 0.662 1.00 0.00 C ATOM 1316 CD ARG A 80 -17.339 -5.851 1.992 1.00 0.00 C ATOM 1317 NE ARG A 80 -18.351 -5.039 2.725 1.00 0.00 N ATOM 1318 CZ ARG A 80 -18.231 -4.852 4.011 1.00 0.00 C ATOM 1319 NH1 ARG A 80 -17.871 -5.841 4.783 1.00 0.00 N ATOM 1320 NH2 ARG A 80 -18.471 -3.677 4.524 1.00 0.00 N ATOM 0 H ARG A 80 -16.767 -3.954 -1.026 1.00 0.00 H new ATOM 0 HA ARG A 80 -15.346 -5.547 -0.071 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -17.533 -7.473 -1.025 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -16.469 -7.694 0.350 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -18.356 -5.302 0.165 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -18.883 -6.832 0.838 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -17.071 -6.747 2.552 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -16.420 -5.287 1.834 1.00 0.00 H new ATOM 0 HE ARG A 80 -19.138 -4.629 2.221 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -17.684 -6.760 4.381 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -17.777 -5.695 5.788 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -18.752 -2.905 3.920 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -18.377 -3.531 5.529 1.00 0.00 H new ATOM 1334 N GLY A 81 -14.664 -5.814 -2.819 1.00 0.00 N ATOM 1335 CA GLY A 81 -13.811 -6.359 -3.913 1.00 0.00 C ATOM 1336 C GLY A 81 -12.908 -7.470 -3.376 1.00 0.00 C ATOM 1337 O GLY A 81 -13.236 -8.635 -3.468 1.00 0.00 O ATOM 0 H GLY A 81 -14.815 -4.806 -2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.439 -6.747 -4.715 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.203 -5.562 -4.341 1.00 0.00 H new ATOM 1341 N ARG A 82 -11.764 -7.134 -2.832 1.00 0.00 N ATOM 1342 CA ARG A 82 -10.860 -8.201 -2.324 1.00 0.00 C ATOM 1343 C ARG A 82 -9.927 -7.680 -1.230 1.00 0.00 C ATOM 1344 O ARG A 82 -10.077 -6.584 -0.728 1.00 0.00 O ATOM 1345 CB ARG A 82 -10.043 -8.611 -3.545 1.00 0.00 C ATOM 1346 CG ARG A 82 -10.719 -9.791 -4.234 1.00 0.00 C ATOM 1347 CD ARG A 82 -10.916 -9.475 -5.718 1.00 0.00 C ATOM 1348 NE ARG A 82 -12.226 -10.087 -6.072 1.00 0.00 N ATOM 1349 CZ ARG A 82 -12.505 -10.358 -7.317 1.00 0.00 C ATOM 1350 NH1 ARG A 82 -12.176 -11.515 -7.823 1.00 0.00 N ATOM 1351 NH2 ARG A 82 -13.113 -9.471 -8.057 1.00 0.00 N ATOM 0 H ARG A 82 -11.424 -6.179 -2.720 1.00 0.00 H new ATOM 0 HA ARG A 82 -11.421 -9.023 -1.879 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -9.957 -7.773 -4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -9.031 -8.882 -3.245 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -10.111 -10.688 -4.121 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -11.681 -9.997 -3.765 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -10.922 -8.399 -5.895 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -10.110 -9.893 -6.321 1.00 0.00 H new ATOM 0 HE ARG A 82 -12.906 -10.295 -5.340 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -11.700 -12.208 -7.245 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -12.394 -11.727 -8.797 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -13.370 -8.566 -7.662 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -13.331 -9.682 -9.031 1.00 0.00 H new ATOM 1365 N LYS A 83 -8.955 -8.473 -0.877 1.00 0.00 N ATOM 1366 CA LYS A 83 -7.973 -8.069 0.168 1.00 0.00 C ATOM 1367 C LYS A 83 -6.642 -8.766 -0.117 1.00 0.00 C ATOM 1368 O LYS A 83 -6.450 -9.917 0.222 1.00 0.00 O ATOM 1369 CB LYS A 83 -8.570 -8.552 1.490 1.00 0.00 C ATOM 1370 CG LYS A 83 -9.840 -7.758 1.797 1.00 0.00 C ATOM 1371 CD LYS A 83 -10.069 -7.724 3.310 1.00 0.00 C ATOM 1372 CE LYS A 83 -11.379 -8.441 3.644 1.00 0.00 C ATOM 1373 NZ LYS A 83 -11.338 -8.647 5.119 1.00 0.00 N ATOM 0 H LYS A 83 -8.797 -9.399 -1.275 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.788 -6.995 0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.799 -9.616 1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.846 -8.426 2.295 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.750 -6.743 1.410 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.696 -8.214 1.299 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.237 -8.205 3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.107 -6.692 3.660 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.242 -7.843 3.353 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.456 -9.391 3.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.204 -9.134 5.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.510 -9.225 5.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.272 -7.725 5.597 1.00 0.00 H new ATOM 1387 N LEU A 84 -5.730 -8.091 -0.760 1.00 0.00 N ATOM 1388 CA LEU A 84 -4.429 -8.732 -1.092 1.00 0.00 C ATOM 1389 C LEU A 84 -3.447 -7.682 -1.612 1.00 0.00 C ATOM 1390 O LEU A 84 -3.721 -6.499 -1.590 1.00 0.00 O ATOM 1391 CB LEU A 84 -4.775 -9.727 -2.202 1.00 0.00 C ATOM 1392 CG LEU A 84 -3.900 -10.977 -2.083 1.00 0.00 C ATOM 1393 CD1 LEU A 84 -3.979 -11.531 -0.659 1.00 0.00 C ATOM 1394 CD2 LEU A 84 -4.399 -12.039 -3.066 1.00 0.00 C ATOM 0 H LEU A 84 -5.830 -7.124 -1.069 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.961 -9.210 -0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.827 -10.003 -2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.627 -9.262 -3.177 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.867 -10.717 -2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.354 -12.421 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.627 -10.777 0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.012 -11.791 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.778 -12.931 -2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.433 -12.294 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.342 -11.649 -4.082 1.00 0.00 H new ATOM 1406 N LEU A 85 -2.313 -8.105 -2.096 1.00 0.00 N ATOM 1407 CA LEU A 85 -1.332 -7.127 -2.632 1.00 0.00 C ATOM 1408 C LEU A 85 -0.489 -7.779 -3.735 1.00 0.00 C ATOM 1409 O LEU A 85 -0.685 -8.929 -4.074 1.00 0.00 O ATOM 1410 CB LEU A 85 -0.481 -6.705 -1.430 1.00 0.00 C ATOM 1411 CG LEU A 85 0.669 -7.688 -1.214 1.00 0.00 C ATOM 1412 CD1 LEU A 85 1.331 -7.387 0.131 1.00 0.00 C ATOM 1413 CD2 LEU A 85 0.130 -9.121 -1.205 1.00 0.00 C ATOM 0 H LEU A 85 -2.025 -9.083 -2.143 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.809 -6.260 -3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.084 -5.703 -1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.102 -6.661 -0.535 1.00 0.00 H new ATOM 0 HG LEU A 85 1.396 -7.584 -2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.154 -8.083 0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.714 -6.367 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.598 -7.497 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.953 -9.818 -1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.595 -9.232 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.352 -9.334 -2.159 1.00 0.00 H new ATOM 1425 N ARG A 86 0.433 -7.056 -4.315 1.00 0.00 N ATOM 1426 CA ARG A 86 1.255 -7.658 -5.409 1.00 0.00 C ATOM 1427 C ARG A 86 2.690 -7.116 -5.399 1.00 0.00 C ATOM 1428 O ARG A 86 2.917 -5.923 -5.443 1.00 0.00 O ATOM 1429 CB ARG A 86 0.548 -7.251 -6.703 1.00 0.00 C ATOM 1430 CG ARG A 86 -0.964 -7.428 -6.543 1.00 0.00 C ATOM 1431 CD ARG A 86 -1.626 -7.465 -7.922 1.00 0.00 C ATOM 1432 NE ARG A 86 -1.437 -6.096 -8.477 1.00 0.00 N ATOM 1433 CZ ARG A 86 -0.917 -5.940 -9.663 1.00 0.00 C ATOM 1434 NH1 ARG A 86 -1.594 -6.286 -10.724 1.00 0.00 N ATOM 1435 NH2 ARG A 86 0.281 -5.437 -9.789 1.00 0.00 N ATOM 0 H ARG A 86 0.652 -6.087 -4.083 1.00 0.00 H new ATOM 0 HA ARG A 86 1.336 -8.739 -5.295 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.779 -6.213 -6.944 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.909 -7.859 -7.533 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.177 -8.350 -6.002 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.376 -6.609 -5.953 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.164 -8.217 -8.561 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.684 -7.717 -7.845 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.714 -5.281 -7.930 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.530 -6.679 -10.626 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.187 -6.164 -11.651 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.810 -5.166 -8.960 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.688 -5.315 -10.716 1.00 0.00 H new ATOM 1449 N PHE A 87 3.657 -7.992 -5.373 1.00 0.00 N ATOM 1450 CA PHE A 87 5.085 -7.550 -5.391 1.00 0.00 C ATOM 1451 C PHE A 87 5.665 -7.801 -6.785 1.00 0.00 C ATOM 1452 O PHE A 87 6.200 -8.861 -7.049 1.00 0.00 O ATOM 1453 CB PHE A 87 5.804 -8.434 -4.364 1.00 0.00 C ATOM 1454 CG PHE A 87 4.931 -8.653 -3.151 1.00 0.00 C ATOM 1455 CD1 PHE A 87 3.936 -9.637 -3.177 1.00 0.00 C ATOM 1456 CD2 PHE A 87 5.121 -7.877 -2.002 1.00 0.00 C ATOM 1457 CE1 PHE A 87 3.129 -9.845 -2.053 1.00 0.00 C ATOM 1458 CE2 PHE A 87 4.313 -8.085 -0.879 1.00 0.00 C ATOM 1459 CZ PHE A 87 3.319 -9.068 -0.906 1.00 0.00 C ATOM 0 H PHE A 87 3.520 -9.002 -5.340 1.00 0.00 H new ATOM 0 HA PHE A 87 5.195 -6.491 -5.157 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.057 -9.393 -4.815 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.741 -7.965 -4.065 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.791 -10.236 -4.064 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.890 -7.119 -1.982 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.361 -10.604 -2.071 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.457 -7.487 0.008 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.696 -9.228 -0.038 1.00 0.00 H new ATOM 1469 N ASN A 88 5.570 -6.859 -7.692 1.00 0.00 N ATOM 1470 CA ASN A 88 6.134 -7.117 -9.053 1.00 0.00 C ATOM 1471 C ASN A 88 6.535 -5.820 -9.739 1.00 0.00 C ATOM 1472 O ASN A 88 7.032 -4.914 -9.117 1.00 0.00 O ATOM 1473 CB ASN A 88 5.032 -7.789 -9.861 1.00 0.00 C ATOM 1474 CG ASN A 88 4.226 -8.747 -8.979 1.00 0.00 C ATOM 1475 OD1 ASN A 88 4.442 -9.943 -9.009 1.00 0.00 O ATOM 1476 ND2 ASN A 88 3.303 -8.270 -8.192 1.00 0.00 N ATOM 0 H ASN A 88 5.138 -5.945 -7.555 1.00 0.00 H new ATOM 0 HA ASN A 88 7.026 -7.739 -8.977 1.00 0.00 H new ATOM 0 HB2 ASN A 88 4.371 -7.033 -10.285 1.00 0.00 H new ATOM 0 HB3 ASN A 88 5.468 -8.336 -10.697 1.00 0.00 H new ATOM 0 HD21 ASN A 88 2.761 -8.900 -7.601 1.00 0.00 H new ATOM 0 HD22 ASN A 88 3.122 -7.266 -8.167 1.00 0.00 H new ATOM 1483 N GLY A 89 6.347 -5.734 -11.031 1.00 0.00 N ATOM 1484 CA GLY A 89 6.759 -4.500 -11.742 1.00 0.00 C ATOM 1485 C GLY A 89 8.203 -4.229 -11.346 1.00 0.00 C ATOM 1486 O GLY A 89 8.543 -3.145 -10.916 1.00 0.00 O ATOM 0 H GLY A 89 5.930 -6.460 -11.614 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.671 -4.627 -12.821 1.00 0.00 H new ATOM 0 HA3 GLY A 89 6.118 -3.662 -11.466 1.00 0.00 H new ATOM 1490 N PRO A 90 9.002 -5.255 -11.473 1.00 0.00 N ATOM 1491 CA PRO A 90 10.423 -5.160 -11.086 1.00 0.00 C ATOM 1492 C PRO A 90 11.193 -4.241 -12.037 1.00 0.00 C ATOM 1493 O PRO A 90 10.784 -4.008 -13.158 1.00 0.00 O ATOM 1494 CB PRO A 90 10.925 -6.599 -11.176 1.00 0.00 C ATOM 1495 CG PRO A 90 10.000 -7.264 -12.142 1.00 0.00 C ATOM 1496 CD PRO A 90 8.662 -6.586 -11.993 1.00 0.00 C ATOM 0 HA PRO A 90 10.561 -4.732 -10.093 1.00 0.00 H new ATOM 0 HB2 PRO A 90 11.957 -6.637 -11.525 1.00 0.00 H new ATOM 0 HB3 PRO A 90 10.900 -7.089 -10.203 1.00 0.00 H new ATOM 0 HG2 PRO A 90 10.371 -7.169 -13.162 1.00 0.00 H new ATOM 0 HG3 PRO A 90 9.920 -8.330 -11.930 1.00 0.00 H new ATOM 0 HD2 PRO A 90 8.137 -6.521 -12.946 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.012 -7.130 -11.308 1.00 0.00 H new ATOM 1504 N VAL A 91 12.303 -3.716 -11.597 1.00 0.00 N ATOM 1505 CA VAL A 91 13.100 -2.812 -12.463 1.00 0.00 C ATOM 1506 C VAL A 91 13.742 -3.601 -13.608 1.00 0.00 C ATOM 1507 O VAL A 91 14.113 -2.983 -14.592 1.00 0.00 O ATOM 1508 CB VAL A 91 14.169 -2.250 -11.531 1.00 0.00 C ATOM 1509 CG1 VAL A 91 13.514 -1.342 -10.488 1.00 0.00 C ATOM 1510 CG2 VAL A 91 14.885 -3.403 -10.821 1.00 0.00 C ATOM 0 H VAL A 91 12.692 -3.877 -10.668 1.00 0.00 H new ATOM 0 HA VAL A 91 12.497 -2.030 -12.925 1.00 0.00 H new ATOM 0 HB VAL A 91 14.889 -1.675 -12.113 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.279 -0.941 -9.823 1.00 0.00 H new ATOM 0 HG12 VAL A 91 13.003 -0.520 -10.990 1.00 0.00 H new ATOM 0 HG13 VAL A 91 12.793 -1.917 -9.907 1.00 0.00 H new ATOM 0 HG21 VAL A 91 15.649 -3.002 -10.155 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.163 -3.977 -10.241 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.353 -4.051 -11.561 1.00 0.00 H new TER 1520 VAL A 91