USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 825 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 18 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 128 MET CE :methyl 164:sc= -0.0382 (180deg=-0.307) USER MOD Set 2.1: A 121 CYS SG : rot -170:sc= -0.108 USER MOD Set 2.2: A 125 THR OG1 : rot 87:sc= 0.89 USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0607 X(o=-0.061,f=0) USER MOD Single : A 22 THR OG1 : rot 80:sc= 0.595 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 159:sc= -0.313 (180deg=-0.396) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 70:sc= 1.05 USER MOD Single : A 69 SER OG : rot 34:sc= 0.204 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 88:sc= 0.594 USER MOD Single : A 78 MET CE :methyl 165:sc= -0.673 (180deg=-1.26) USER MOD Single : A 82 THR OG1 : rot 80:sc= 0.148 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0854 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 CYS SG : rot -2:sc= 0.0235 USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 6 9.248 4.841 -11.345 1.00 1.44 N ATOM 56 CA GLU A 6 9.200 5.451 -12.669 1.00 22.35 C ATOM 57 C GLU A 6 8.257 6.650 -12.682 1.00 10.23 C ATOM 58 O GLU A 6 8.650 7.777 -12.983 1.00 54.44 O ATOM 59 CB GLU A 6 8.752 4.424 -13.711 1.00 1.11 C ATOM 60 CG GLU A 6 7.966 5.029 -14.862 1.00 31.21 C ATOM 61 CD GLU A 6 7.832 4.082 -16.038 1.00 62.54 C ATOM 62 OE1 GLU A 6 7.144 3.049 -15.895 1.00 3.53 O ATOM 63 OE2 GLU A 6 8.416 4.373 -17.103 1.00 51.23 O ATOM 0 HA GLU A 6 10.203 5.798 -12.918 1.00 22.35 H new ATOM 0 HB2 GLU A 6 9.630 3.916 -14.109 1.00 1.11 H new ATOM 0 HB3 GLU A 6 8.140 3.666 -13.222 1.00 1.11 H new ATOM 0 HG2 GLU A 6 6.973 5.309 -14.511 1.00 31.21 H new ATOM 0 HG3 GLU A 6 8.458 5.944 -15.192 1.00 31.21 H new ATOM 70 N PRO A 7 6.982 6.403 -12.347 1.00 53.12 N ATOM 71 CA PRO A 7 5.955 7.449 -12.313 1.00 5.42 C ATOM 72 C PRO A 7 6.168 8.433 -11.167 1.00 22.42 C ATOM 73 O PRO A 7 5.695 9.569 -11.214 1.00 62.13 O ATOM 74 CB PRO A 7 4.656 6.665 -12.111 1.00 4.45 C ATOM 75 CG PRO A 7 5.076 5.404 -11.439 1.00 61.51 C ATOM 76 CD PRO A 7 6.444 5.084 -11.976 1.00 74.44 C ATOM 0 HA PRO A 7 5.964 8.059 -13.216 1.00 5.42 H new ATOM 0 HB2 PRO A 7 3.948 7.223 -11.499 1.00 4.45 H new ATOM 0 HB3 PRO A 7 4.164 6.462 -13.062 1.00 4.45 H new ATOM 0 HG2 PRO A 7 5.101 5.528 -10.356 1.00 61.51 H new ATOM 0 HG3 PRO A 7 4.375 4.597 -11.651 1.00 61.51 H new ATOM 0 HD2 PRO A 7 7.065 4.593 -11.227 1.00 74.44 H new ATOM 0 HD3 PRO A 7 6.392 4.415 -12.835 1.00 74.44 H new ATOM 84 N LEU A 8 6.883 7.989 -10.138 1.00 54.43 N ATOM 85 CA LEU A 8 7.159 8.831 -8.979 1.00 52.12 C ATOM 86 C LEU A 8 8.163 9.925 -9.328 1.00 0.13 C ATOM 87 O LEU A 8 8.039 11.063 -8.875 1.00 51.31 O ATOM 88 CB LEU A 8 7.692 7.983 -7.824 1.00 21.35 C ATOM 89 CG LEU A 8 7.386 8.497 -6.416 1.00 42.04 C ATOM 90 CD1 LEU A 8 7.974 9.885 -6.216 1.00 51.30 C ATOM 91 CD2 LEU A 8 5.885 8.511 -6.168 1.00 71.51 C ATOM 0 H LEU A 8 7.282 7.052 -10.083 1.00 54.43 H new ATOM 0 HA LEU A 8 6.226 9.304 -8.673 1.00 52.12 H new ATOM 0 HB2 LEU A 8 7.282 6.977 -7.919 1.00 21.35 H new ATOM 0 HB3 LEU A 8 8.773 7.898 -7.931 1.00 21.35 H new ATOM 0 HG LEU A 8 7.847 7.822 -5.695 1.00 42.04 H new ATOM 0 HD11 LEU A 8 7.747 10.235 -5.209 1.00 51.30 H new ATOM 0 HD12 LEU A 8 9.055 9.845 -6.351 1.00 51.30 H new ATOM 0 HD13 LEU A 8 7.543 10.571 -6.945 1.00 51.30 H new ATOM 0 HD21 LEU A 8 5.686 8.879 -5.162 1.00 71.51 H new ATOM 0 HD22 LEU A 8 5.402 9.164 -6.895 1.00 71.51 H new ATOM 0 HD23 LEU A 8 5.490 7.500 -6.269 1.00 71.51 H new ATOM 103 N PHE A 9 9.157 9.573 -10.137 1.00 32.15 N ATOM 104 CA PHE A 9 10.182 10.525 -10.547 1.00 42.02 C ATOM 105 C PHE A 9 9.631 11.509 -11.575 1.00 74.31 C ATOM 106 O PHE A 9 10.109 12.638 -11.689 1.00 71.51 O ATOM 107 CB PHE A 9 11.390 9.787 -11.128 1.00 2.01 C ATOM 108 CG PHE A 9 12.630 9.914 -10.289 1.00 70.25 C ATOM 109 CD1 PHE A 9 12.650 9.449 -8.985 1.00 23.44 C ATOM 110 CD2 PHE A 9 13.775 10.499 -10.806 1.00 72.32 C ATOM 111 CE1 PHE A 9 13.790 9.563 -8.210 1.00 53.44 C ATOM 112 CE2 PHE A 9 14.917 10.616 -10.037 1.00 61.21 C ATOM 113 CZ PHE A 9 14.924 10.149 -8.737 1.00 62.32 C ATOM 0 H PHE A 9 9.274 8.635 -10.521 1.00 32.15 H new ATOM 0 HA PHE A 9 10.496 11.085 -9.666 1.00 42.02 H new ATOM 0 HB2 PHE A 9 11.142 8.731 -11.239 1.00 2.01 H new ATOM 0 HB3 PHE A 9 11.595 10.172 -12.127 1.00 2.01 H new ATOM 0 HD1 PHE A 9 11.765 8.992 -8.568 1.00 23.44 H new ATOM 0 HD2 PHE A 9 13.775 10.868 -11.821 1.00 72.32 H new ATOM 0 HE1 PHE A 9 13.793 9.194 -7.195 1.00 53.44 H new ATOM 0 HE2 PHE A 9 15.804 11.072 -10.452 1.00 61.21 H new ATOM 0 HZ PHE A 9 15.815 10.242 -8.134 1.00 62.32 H new ATOM 123 N TYR A 10 8.622 11.072 -12.321 1.00 63.22 N ATOM 124 CA TYR A 10 8.007 11.912 -13.342 1.00 31.40 C ATOM 125 C TYR A 10 7.406 13.170 -12.723 1.00 32.43 C ATOM 126 O TYR A 10 7.804 14.289 -13.049 1.00 30.45 O ATOM 127 CB TYR A 10 6.925 11.131 -14.090 1.00 70.02 C ATOM 128 CG TYR A 10 5.881 12.012 -14.738 1.00 12.34 C ATOM 129 CD1 TYR A 10 6.177 12.751 -15.876 1.00 52.45 C ATOM 130 CD2 TYR A 10 4.599 12.107 -14.210 1.00 71.24 C ATOM 131 CE1 TYR A 10 5.226 13.559 -16.471 1.00 63.42 C ATOM 132 CE2 TYR A 10 3.642 12.910 -14.799 1.00 52.12 C ATOM 133 CZ TYR A 10 3.960 13.634 -15.929 1.00 43.21 C ATOM 134 OH TYR A 10 3.010 14.437 -16.518 1.00 30.32 O ATOM 0 H TYR A 10 8.213 10.141 -12.238 1.00 63.22 H new ATOM 0 HA TYR A 10 8.783 12.211 -14.047 1.00 31.40 H new ATOM 0 HB2 TYR A 10 7.397 10.517 -14.857 1.00 70.02 H new ATOM 0 HB3 TYR A 10 6.433 10.451 -13.395 1.00 70.02 H new ATOM 0 HD1 TYR A 10 7.167 12.693 -16.303 1.00 52.45 H new ATOM 0 HD2 TYR A 10 4.347 11.543 -13.324 1.00 71.24 H new ATOM 0 HE1 TYR A 10 5.473 14.128 -17.355 1.00 63.42 H new ATOM 0 HE2 TYR A 10 2.650 12.971 -14.377 1.00 52.12 H new ATOM 0 HH TYR A 10 2.172 14.376 -16.014 1.00 30.32 H new ATOM 144 N THR A 11 6.443 12.978 -11.826 1.00 3.12 N ATOM 145 CA THR A 11 5.786 14.095 -11.160 1.00 55.31 C ATOM 146 C THR A 11 6.805 15.032 -10.522 1.00 14.23 C ATOM 147 O THR A 11 6.651 16.253 -10.564 1.00 51.23 O ATOM 148 CB THR A 11 4.806 13.606 -10.077 1.00 32.01 C ATOM 149 OG1 THR A 11 4.264 14.724 -9.365 1.00 3.12 O ATOM 150 CG2 THR A 11 5.501 12.667 -9.103 1.00 70.51 C ATOM 0 H THR A 11 6.101 12.059 -11.545 1.00 3.12 H new ATOM 0 HA THR A 11 5.229 14.636 -11.926 1.00 55.31 H new ATOM 0 HB THR A 11 3.999 13.063 -10.568 1.00 32.01 H new ATOM 0 HG1 THR A 11 3.641 14.404 -8.679 1.00 3.12 H new ATOM 0 HG21 THR A 11 4.789 12.335 -8.347 1.00 70.51 H new ATOM 0 HG22 THR A 11 5.887 11.802 -9.643 1.00 70.51 H new ATOM 0 HG23 THR A 11 6.326 13.190 -8.619 1.00 70.51 H new ATOM 158 N ILE A 12 7.845 14.453 -9.931 1.00 52.54 N ATOM 159 CA ILE A 12 8.890 15.238 -9.286 1.00 30.12 C ATOM 160 C ILE A 12 9.626 16.111 -10.297 1.00 14.03 C ATOM 161 O ILE A 12 9.933 17.270 -10.023 1.00 55.54 O ATOM 162 CB ILE A 12 9.909 14.334 -8.567 1.00 2.50 C ATOM 163 CG1 ILE A 12 9.315 13.794 -7.265 1.00 31.32 C ATOM 164 CG2 ILE A 12 11.194 15.101 -8.291 1.00 62.20 C ATOM 165 CD1 ILE A 12 10.162 12.724 -6.612 1.00 62.24 C ATOM 0 H ILE A 12 7.986 13.444 -9.886 1.00 52.54 H new ATOM 0 HA ILE A 12 8.398 15.875 -8.551 1.00 30.12 H new ATOM 0 HB ILE A 12 10.144 13.489 -9.215 1.00 2.50 H new ATOM 0 HG12 ILE A 12 9.184 14.619 -6.565 1.00 31.32 H new ATOM 0 HG13 ILE A 12 8.324 13.388 -7.468 1.00 31.32 H new ATOM 0 HG21 ILE A 12 11.905 14.449 -7.783 1.00 62.20 H new ATOM 0 HG22 ILE A 12 11.624 15.442 -9.233 1.00 62.20 H new ATOM 0 HG23 ILE A 12 10.975 15.962 -7.659 1.00 62.20 H new ATOM 0 HD11 ILE A 12 9.680 12.388 -5.694 1.00 62.24 H new ATOM 0 HD12 ILE A 12 10.272 11.881 -7.294 1.00 62.24 H new ATOM 0 HD13 ILE A 12 11.145 13.131 -6.377 1.00 62.24 H new ATOM 177 N ASN A 13 9.904 15.546 -11.467 1.00 30.41 N ATOM 178 CA ASN A 13 10.603 16.273 -12.520 1.00 54.03 C ATOM 179 C ASN A 13 9.717 17.370 -13.103 1.00 2.40 C ATOM 180 O ASN A 13 10.194 18.257 -13.813 1.00 61.53 O ATOM 181 CB ASN A 13 11.040 15.313 -13.628 1.00 74.34 C ATOM 182 CG ASN A 13 12.541 15.103 -13.653 1.00 44.41 C ATOM 183 OD1 ASN A 13 13.025 13.979 -13.524 1.00 32.41 O ATOM 184 ND2 ASN A 13 13.287 16.189 -13.819 1.00 43.43 N ATOM 0 H ASN A 13 9.656 14.587 -11.710 1.00 30.41 H new ATOM 0 HA ASN A 13 11.486 16.738 -12.082 1.00 54.03 H new ATOM 0 HB2 ASN A 13 10.544 14.352 -13.489 1.00 74.34 H new ATOM 0 HB3 ASN A 13 10.715 15.703 -14.592 1.00 74.34 H new ATOM 0 HD21 ASN A 13 14.304 16.110 -13.844 1.00 43.43 H new ATOM 0 HD22 ASN A 13 12.843 17.102 -13.922 1.00 43.43 H new ATOM 191 N LEU A 14 8.426 17.306 -12.797 1.00 61.54 N ATOM 192 CA LEU A 14 7.473 18.294 -13.290 1.00 33.12 C ATOM 193 C LEU A 14 7.371 19.476 -12.332 1.00 15.33 C ATOM 194 O LEU A 14 7.012 20.584 -12.733 1.00 74.32 O ATOM 195 CB LEU A 14 6.096 17.654 -13.477 1.00 51.22 C ATOM 196 CG LEU A 14 5.675 17.377 -14.921 1.00 43.40 C ATOM 197 CD1 LEU A 14 5.344 18.677 -15.639 1.00 65.50 C ATOM 198 CD2 LEU A 14 6.770 16.621 -15.660 1.00 0.42 C ATOM 0 H LEU A 14 8.015 16.580 -12.210 1.00 61.54 H new ATOM 0 HA LEU A 14 7.831 18.660 -14.253 1.00 33.12 H new ATOM 0 HB2 LEU A 14 6.077 16.713 -12.927 1.00 51.22 H new ATOM 0 HB3 LEU A 14 5.350 18.305 -13.021 1.00 51.22 H new ATOM 0 HG LEU A 14 4.779 16.756 -14.906 1.00 43.40 H new ATOM 0 HD11 LEU A 14 5.047 18.460 -16.665 1.00 65.50 H new ATOM 0 HD12 LEU A 14 4.526 19.180 -15.123 1.00 65.50 H new ATOM 0 HD13 LEU A 14 6.222 19.323 -15.644 1.00 65.50 H new ATOM 0 HD21 LEU A 14 6.453 16.432 -16.686 1.00 0.42 H new ATOM 0 HD22 LEU A 14 7.683 17.216 -15.666 1.00 0.42 H new ATOM 0 HD23 LEU A 14 6.959 15.672 -15.158 1.00 0.42 H new ATOM 210 N ILE A 15 7.690 19.234 -11.065 1.00 1.10 N ATOM 211 CA ILE A 15 7.637 20.280 -10.051 1.00 23.21 C ATOM 212 C ILE A 15 8.861 21.186 -10.131 1.00 62.14 C ATOM 213 O ILE A 15 8.782 22.380 -9.841 1.00 61.10 O ATOM 214 CB ILE A 15 7.545 19.685 -8.633 1.00 41.13 C ATOM 215 CG1 ILE A 15 6.114 19.230 -8.340 1.00 22.23 C ATOM 216 CG2 ILE A 15 8.005 20.703 -7.601 1.00 2.42 C ATOM 217 CD1 ILE A 15 5.983 17.735 -8.147 1.00 41.22 C ATOM 0 H ILE A 15 7.988 18.323 -10.716 1.00 1.10 H new ATOM 0 HA ILE A 15 6.740 20.867 -10.249 1.00 23.21 H new ATOM 0 HB ILE A 15 8.201 18.817 -8.575 1.00 41.13 H new ATOM 0 HG12 ILE A 15 5.757 19.737 -7.444 1.00 22.23 H new ATOM 0 HG13 ILE A 15 5.467 19.540 -9.161 1.00 22.23 H new ATOM 0 HG21 ILE A 15 7.934 20.268 -6.604 1.00 2.42 H new ATOM 0 HG22 ILE A 15 9.039 20.983 -7.802 1.00 2.42 H new ATOM 0 HG23 ILE A 15 7.372 21.589 -7.656 1.00 2.42 H new ATOM 0 HD11 ILE A 15 4.942 17.484 -7.943 1.00 41.22 H new ATOM 0 HD12 ILE A 15 6.309 17.221 -9.051 1.00 41.22 H new ATOM 0 HD13 ILE A 15 6.603 17.421 -7.307 1.00 41.22 H new ATOM 229 N ILE A 16 9.991 20.611 -10.529 1.00 21.31 N ATOM 230 CA ILE A 16 11.231 21.367 -10.651 1.00 1.23 C ATOM 231 C ILE A 16 11.029 22.622 -11.494 1.00 62.40 C ATOM 232 O ILE A 16 11.278 23.743 -11.052 1.00 41.52 O ATOM 233 CB ILE A 16 12.351 20.516 -11.277 1.00 71.44 C ATOM 234 CG1 ILE A 16 13.120 19.765 -10.189 1.00 23.42 C ATOM 235 CG2 ILE A 16 13.292 21.393 -12.089 1.00 70.14 C ATOM 236 CD1 ILE A 16 13.707 18.452 -10.660 1.00 2.43 C ATOM 0 H ILE A 16 10.073 19.624 -10.772 1.00 21.31 H new ATOM 0 HA ILE A 16 11.526 21.654 -9.642 1.00 1.23 H new ATOM 0 HB ILE A 16 11.899 19.784 -11.947 1.00 71.44 H new ATOM 0 HG12 ILE A 16 13.924 20.401 -9.819 1.00 23.42 H new ATOM 0 HG13 ILE A 16 12.452 19.574 -9.349 1.00 23.42 H new ATOM 0 HG21 ILE A 16 14.078 20.777 -12.525 1.00 70.14 H new ATOM 0 HG22 ILE A 16 12.734 21.886 -12.885 1.00 70.14 H new ATOM 0 HG23 ILE A 16 13.739 22.146 -11.440 1.00 70.14 H new ATOM 0 HD11 ILE A 16 14.238 17.975 -9.836 1.00 2.43 H new ATOM 0 HD12 ILE A 16 12.906 17.797 -11.003 1.00 2.43 H new ATOM 0 HD13 ILE A 16 14.401 18.637 -11.480 1.00 2.43 H new ATOM 248 N PRO A 17 10.565 22.430 -12.738 1.00 22.12 N ATOM 249 CA PRO A 17 10.317 23.535 -13.669 1.00 71.50 C ATOM 250 C PRO A 17 9.125 24.389 -13.251 1.00 31.43 C ATOM 251 O PRO A 17 9.122 25.605 -13.446 1.00 32.35 O ATOM 252 CB PRO A 17 10.027 22.824 -14.993 1.00 72.43 C ATOM 253 CG PRO A 17 9.522 21.479 -14.599 1.00 21.34 C ATOM 254 CD PRO A 17 10.247 21.120 -13.331 1.00 14.23 C ATOM 0 HA PRO A 17 11.159 24.226 -13.715 1.00 71.50 H new ATOM 0 HB2 PRO A 17 9.287 23.368 -15.581 1.00 72.43 H new ATOM 0 HB3 PRO A 17 10.925 22.746 -15.605 1.00 72.43 H new ATOM 0 HG2 PRO A 17 8.444 21.498 -14.440 1.00 21.34 H new ATOM 0 HG3 PRO A 17 9.716 20.745 -15.381 1.00 21.34 H new ATOM 0 HD2 PRO A 17 9.624 20.519 -12.668 1.00 14.23 H new ATOM 0 HD3 PRO A 17 11.148 20.541 -13.533 1.00 14.23 H new ATOM 262 N CYS A 18 8.115 23.745 -12.675 1.00 42.33 N ATOM 263 CA CYS A 18 6.917 24.447 -12.229 1.00 75.25 C ATOM 264 C CYS A 18 7.277 25.612 -11.314 1.00 43.44 C ATOM 265 O CYS A 18 6.936 26.762 -11.592 1.00 40.21 O ATOM 266 CB CYS A 18 5.977 23.483 -11.502 1.00 45.42 C ATOM 267 SG CYS A 18 4.293 24.108 -11.297 1.00 3.32 S ATOM 0 H CYS A 18 8.102 22.739 -12.506 1.00 42.33 H new ATOM 0 HA CYS A 18 6.410 24.844 -13.109 1.00 75.25 H new ATOM 0 HB2 CYS A 18 5.940 22.544 -12.054 1.00 45.42 H new ATOM 0 HB3 CYS A 18 6.392 23.259 -10.519 1.00 45.42 H new ATOM 0 HG CYS A 18 3.574 23.222 -10.674 1.00 3.32 H new ATOM 273 N VAL A 19 7.969 25.307 -10.221 1.00 14.53 N ATOM 274 CA VAL A 19 8.375 26.329 -9.264 1.00 3.43 C ATOM 275 C VAL A 19 9.506 27.186 -9.822 1.00 1.11 C ATOM 276 O VAL A 19 9.499 28.410 -9.684 1.00 0.15 O ATOM 277 CB VAL A 19 8.830 25.702 -7.932 1.00 42.44 C ATOM 278 CG1 VAL A 19 8.950 26.768 -6.853 1.00 74.14 C ATOM 279 CG2 VAL A 19 7.868 24.604 -7.505 1.00 10.51 C ATOM 0 H VAL A 19 8.260 24.361 -9.976 1.00 14.53 H new ATOM 0 HA VAL A 19 7.503 26.957 -9.082 1.00 3.43 H new ATOM 0 HB VAL A 19 9.814 25.255 -8.077 1.00 42.44 H new ATOM 0 HG11 VAL A 19 9.272 26.306 -5.920 1.00 74.14 H new ATOM 0 HG12 VAL A 19 9.682 27.515 -7.160 1.00 74.14 H new ATOM 0 HG13 VAL A 19 7.982 27.247 -6.705 1.00 74.14 H new ATOM 0 HG21 VAL A 19 8.204 24.172 -6.562 1.00 10.51 H new ATOM 0 HG22 VAL A 19 6.870 25.024 -7.376 1.00 10.51 H new ATOM 0 HG23 VAL A 19 7.839 23.828 -8.270 1.00 10.51 H new ATOM 289 N LEU A 20 10.477 26.536 -10.454 1.00 31.23 N ATOM 290 CA LEU A 20 11.616 27.238 -11.035 1.00 22.15 C ATOM 291 C LEU A 20 11.151 28.368 -11.948 1.00 25.23 C ATOM 292 O LEU A 20 11.522 29.526 -11.756 1.00 2.32 O ATOM 293 CB LEU A 20 12.496 26.262 -11.818 1.00 51.43 C ATOM 294 CG LEU A 20 13.700 26.873 -12.537 1.00 32.12 C ATOM 295 CD1 LEU A 20 14.912 25.962 -12.417 1.00 35.24 C ATOM 296 CD2 LEU A 20 13.371 27.136 -13.999 1.00 40.11 C ATOM 0 H LEU A 20 10.498 25.524 -10.577 1.00 31.23 H new ATOM 0 HA LEU A 20 12.199 27.670 -10.222 1.00 22.15 H new ATOM 0 HB2 LEU A 20 12.858 25.498 -11.130 1.00 51.43 H new ATOM 0 HB3 LEU A 20 11.875 25.756 -12.557 1.00 51.43 H new ATOM 0 HG LEU A 20 13.938 27.825 -12.062 1.00 32.12 H new ATOM 0 HD11 LEU A 20 15.759 26.413 -12.934 1.00 35.24 H new ATOM 0 HD12 LEU A 20 15.161 25.825 -11.365 1.00 35.24 H new ATOM 0 HD13 LEU A 20 14.686 24.995 -12.866 1.00 35.24 H new ATOM 0 HD21 LEU A 20 14.239 27.571 -14.495 1.00 40.11 H new ATOM 0 HD22 LEU A 20 13.106 26.198 -14.487 1.00 40.11 H new ATOM 0 HD23 LEU A 20 12.532 27.828 -14.064 1.00 40.11 H new ATOM 308 N ILE A 21 10.337 28.023 -12.939 1.00 50.23 N ATOM 309 CA ILE A 21 9.819 29.009 -13.880 1.00 2.23 C ATOM 310 C ILE A 21 9.181 30.185 -13.148 1.00 22.03 C ATOM 311 O ILE A 21 9.493 31.345 -13.421 1.00 72.41 O ATOM 312 CB ILE A 21 8.781 28.388 -14.832 1.00 71.44 C ATOM 313 CG1 ILE A 21 9.482 27.633 -15.964 1.00 1.30 C ATOM 314 CG2 ILE A 21 7.866 29.465 -15.394 1.00 53.32 C ATOM 315 CD1 ILE A 21 8.683 26.465 -16.498 1.00 12.24 C ATOM 0 H ILE A 21 10.022 27.068 -13.112 1.00 50.23 H new ATOM 0 HA ILE A 21 10.668 29.364 -14.464 1.00 2.23 H new ATOM 0 HB ILE A 21 8.173 27.679 -14.270 1.00 71.44 H new ATOM 0 HG12 ILE A 21 9.686 28.326 -16.780 1.00 1.30 H new ATOM 0 HG13 ILE A 21 10.445 27.270 -15.606 1.00 1.30 H new ATOM 0 HG21 ILE A 21 7.138 29.010 -16.065 1.00 53.32 H new ATOM 0 HG22 ILE A 21 7.344 29.962 -14.576 1.00 53.32 H new ATOM 0 HG23 ILE A 21 8.459 30.196 -15.944 1.00 53.32 H new ATOM 0 HD11 ILE A 21 9.241 25.977 -17.297 1.00 12.24 H new ATOM 0 HD12 ILE A 21 8.501 25.751 -15.695 1.00 12.24 H new ATOM 0 HD13 ILE A 21 7.730 26.824 -16.887 1.00 12.24 H new ATOM 327 N THR A 22 8.286 29.878 -12.213 1.00 45.33 N ATOM 328 CA THR A 22 7.605 30.909 -11.441 1.00 33.25 C ATOM 329 C THR A 22 8.603 31.860 -10.792 1.00 2.45 C ATOM 330 O THR A 22 8.534 33.074 -10.984 1.00 51.24 O ATOM 331 CB THR A 22 6.714 30.293 -10.345 1.00 73.45 C ATOM 332 OG1 THR A 22 5.765 29.396 -10.933 1.00 75.12 O ATOM 333 CG2 THR A 22 5.981 31.377 -9.570 1.00 5.22 C ATOM 0 H THR A 22 8.017 28.924 -11.973 1.00 45.33 H new ATOM 0 HA THR A 22 6.979 31.465 -12.139 1.00 33.25 H new ATOM 0 HB THR A 22 7.354 29.744 -9.654 1.00 73.45 H new ATOM 0 HG1 THR A 22 6.198 28.537 -11.118 1.00 75.12 H new ATOM 0 HG21 THR A 22 5.359 30.918 -8.802 1.00 5.22 H new ATOM 0 HG22 THR A 22 6.706 32.042 -9.100 1.00 5.22 H new ATOM 0 HG23 THR A 22 5.352 31.950 -10.252 1.00 5.22 H new ATOM 341 N SER A 23 9.532 31.302 -10.022 1.00 71.30 N ATOM 342 CA SER A 23 10.544 32.102 -9.342 1.00 35.23 C ATOM 343 C SER A 23 11.255 33.027 -10.324 1.00 3.11 C ATOM 344 O SER A 23 11.389 34.227 -10.080 1.00 13.04 O ATOM 345 CB SER A 23 11.562 31.194 -8.650 1.00 32.44 C ATOM 346 OG SER A 23 12.888 31.575 -8.973 1.00 72.32 O ATOM 0 H SER A 23 9.605 30.299 -9.854 1.00 71.30 H new ATOM 0 HA SER A 23 10.044 32.714 -8.591 1.00 35.23 H new ATOM 0 HB2 SER A 23 11.420 31.240 -7.570 1.00 32.44 H new ATOM 0 HB3 SER A 23 11.394 30.160 -8.950 1.00 32.44 H new ATOM 0 HG SER A 23 13.520 30.980 -8.517 1.00 72.32 H new ATOM 352 N LEU A 24 11.711 32.461 -11.436 1.00 30.01 N ATOM 353 CA LEU A 24 12.410 33.234 -12.457 1.00 72.20 C ATOM 354 C LEU A 24 11.567 34.421 -12.913 1.00 64.44 C ATOM 355 O LEU A 24 12.093 35.500 -13.184 1.00 71.22 O ATOM 356 CB LEU A 24 12.749 32.344 -13.654 1.00 44.44 C ATOM 357 CG LEU A 24 14.183 31.816 -13.713 1.00 1.03 C ATOM 358 CD1 LEU A 24 14.268 30.601 -14.624 1.00 13.40 C ATOM 359 CD2 LEU A 24 15.134 32.906 -14.184 1.00 45.13 C ATOM 0 H LEU A 24 11.609 31.470 -11.654 1.00 30.01 H new ATOM 0 HA LEU A 24 13.334 33.615 -12.022 1.00 72.20 H new ATOM 0 HB2 LEU A 24 12.069 31.492 -13.652 1.00 44.44 H new ATOM 0 HB3 LEU A 24 12.552 32.906 -14.567 1.00 44.44 H new ATOM 0 HG LEU A 24 14.479 31.513 -12.709 1.00 1.03 H new ATOM 0 HD11 LEU A 24 15.296 30.239 -14.653 1.00 13.40 H new ATOM 0 HD12 LEU A 24 13.617 29.814 -14.243 1.00 13.40 H new ATOM 0 HD13 LEU A 24 13.952 30.878 -15.630 1.00 13.40 H new ATOM 0 HD21 LEU A 24 16.150 32.512 -14.220 1.00 45.13 H new ATOM 0 HD22 LEU A 24 14.839 33.241 -15.179 1.00 45.13 H new ATOM 0 HD23 LEU A 24 15.095 33.747 -13.492 1.00 45.13 H new ATOM 371 N ALA A 25 10.257 34.213 -12.994 1.00 41.41 N ATOM 372 CA ALA A 25 9.341 35.267 -13.413 1.00 44.12 C ATOM 373 C ALA A 25 9.156 36.304 -12.311 1.00 4.33 C ATOM 374 O ALA A 25 8.840 37.463 -12.582 1.00 63.15 O ATOM 375 CB ALA A 25 7.999 34.672 -13.811 1.00 51.24 C ATOM 0 H ALA A 25 9.806 33.325 -12.775 1.00 41.41 H new ATOM 0 HA ALA A 25 9.775 35.768 -14.278 1.00 44.12 H new ATOM 0 HB1 ALA A 25 7.325 35.470 -14.122 1.00 51.24 H new ATOM 0 HB2 ALA A 25 8.141 33.975 -14.637 1.00 51.24 H new ATOM 0 HB3 ALA A 25 7.568 34.144 -12.960 1.00 51.24 H new ATOM 381 N ILE A 26 9.355 35.881 -11.067 1.00 75.40 N ATOM 382 CA ILE A 26 9.210 36.774 -9.924 1.00 73.41 C ATOM 383 C ILE A 26 10.430 37.675 -9.773 1.00 1.21 C ATOM 384 O ILE A 26 10.308 38.900 -9.715 1.00 31.53 O ATOM 385 CB ILE A 26 9.002 35.986 -8.617 1.00 62.10 C ATOM 386 CG1 ILE A 26 7.643 35.283 -8.630 1.00 22.11 C ATOM 387 CG2 ILE A 26 9.113 36.914 -7.416 1.00 63.43 C ATOM 388 CD1 ILE A 26 7.469 34.283 -7.508 1.00 44.21 C ATOM 0 H ILE A 26 9.617 34.925 -10.825 1.00 75.40 H new ATOM 0 HA ILE A 26 8.329 37.388 -10.112 1.00 73.41 H new ATOM 0 HB ILE A 26 9.781 35.228 -8.539 1.00 62.10 H new ATOM 0 HG12 ILE A 26 6.855 36.033 -8.563 1.00 22.11 H new ATOM 0 HG13 ILE A 26 7.517 34.772 -9.584 1.00 22.11 H new ATOM 0 HG21 ILE A 26 8.964 36.343 -6.500 1.00 63.43 H new ATOM 0 HG22 ILE A 26 10.102 37.373 -7.401 1.00 63.43 H new ATOM 0 HG23 ILE A 26 8.353 37.692 -7.486 1.00 63.43 H new ATOM 0 HD11 ILE A 26 6.483 33.824 -7.580 1.00 44.21 H new ATOM 0 HD12 ILE A 26 8.235 33.512 -7.586 1.00 44.21 H new ATOM 0 HD13 ILE A 26 7.563 34.792 -6.549 1.00 44.21 H new ATOM 400 N LEU A 27 11.607 37.063 -9.711 1.00 63.44 N ATOM 401 CA LEU A 27 12.852 37.810 -9.569 1.00 21.20 C ATOM 402 C LEU A 27 12.977 38.872 -10.657 1.00 22.14 C ATOM 403 O LEU A 27 13.297 40.027 -10.377 1.00 13.41 O ATOM 404 CB LEU A 27 14.050 36.860 -9.628 1.00 34.14 C ATOM 405 CG LEU A 27 14.549 36.326 -8.285 1.00 30.33 C ATOM 406 CD1 LEU A 27 13.524 35.384 -7.670 1.00 45.54 C ATOM 407 CD2 LEU A 27 15.888 35.622 -8.455 1.00 54.10 C ATOM 0 H LEU A 27 11.726 36.051 -9.757 1.00 63.44 H new ATOM 0 HA LEU A 27 12.839 38.309 -8.600 1.00 21.20 H new ATOM 0 HB2 LEU A 27 13.784 36.011 -10.258 1.00 34.14 H new ATOM 0 HB3 LEU A 27 14.874 37.377 -10.120 1.00 34.14 H new ATOM 0 HG LEU A 27 14.688 37.170 -7.609 1.00 30.33 H new ATOM 0 HD11 LEU A 27 13.897 35.014 -6.715 1.00 45.54 H new ATOM 0 HD12 LEU A 27 12.587 35.919 -7.512 1.00 45.54 H new ATOM 0 HD13 LEU A 27 13.353 34.544 -8.343 1.00 45.54 H new ATOM 0 HD21 LEU A 27 16.228 35.248 -7.489 1.00 54.10 H new ATOM 0 HD22 LEU A 27 15.775 34.788 -9.147 1.00 54.10 H new ATOM 0 HD23 LEU A 27 16.621 36.325 -8.850 1.00 54.10 H new ATOM 419 N VAL A 28 12.721 38.473 -11.899 1.00 23.25 N ATOM 420 CA VAL A 28 12.802 39.391 -13.028 1.00 71.24 C ATOM 421 C VAL A 28 11.868 40.581 -12.837 1.00 64.13 C ATOM 422 O VAL A 28 12.279 41.734 -12.974 1.00 74.41 O ATOM 423 CB VAL A 28 12.451 38.685 -14.351 1.00 62.55 C ATOM 424 CG1 VAL A 28 12.097 39.704 -15.424 1.00 24.24 C ATOM 425 CG2 VAL A 28 13.603 37.800 -14.804 1.00 40.14 C ATOM 0 H VAL A 28 12.456 37.520 -12.148 1.00 23.25 H new ATOM 0 HA VAL A 28 13.832 39.745 -13.075 1.00 71.24 H new ATOM 0 HB VAL A 28 11.580 38.052 -14.184 1.00 62.55 H new ATOM 0 HG11 VAL A 28 11.852 39.186 -16.351 1.00 24.24 H new ATOM 0 HG12 VAL A 28 11.238 40.291 -15.099 1.00 24.24 H new ATOM 0 HG13 VAL A 28 12.947 40.366 -15.592 1.00 24.24 H new ATOM 0 HG21 VAL A 28 13.338 37.309 -15.740 1.00 40.14 H new ATOM 0 HG22 VAL A 28 14.494 38.410 -14.954 1.00 40.14 H new ATOM 0 HG23 VAL A 28 13.804 37.046 -14.043 1.00 40.14 H new ATOM 435 N PHE A 29 10.610 40.294 -12.520 1.00 24.14 N ATOM 436 CA PHE A 29 9.617 41.341 -12.310 1.00 21.23 C ATOM 437 C PHE A 29 10.067 42.306 -11.216 1.00 74.35 C ATOM 438 O PHE A 29 9.885 43.518 -11.330 1.00 42.24 O ATOM 439 CB PHE A 29 8.267 40.725 -11.938 1.00 74.23 C ATOM 440 CG PHE A 29 7.157 41.101 -12.879 1.00 23.15 C ATOM 441 CD1 PHE A 29 6.948 42.425 -13.229 1.00 75.00 C ATOM 442 CD2 PHE A 29 6.325 40.131 -13.412 1.00 73.43 C ATOM 443 CE1 PHE A 29 5.927 42.774 -14.093 1.00 70.33 C ATOM 444 CE2 PHE A 29 5.303 40.473 -14.277 1.00 53.35 C ATOM 445 CZ PHE A 29 5.104 41.797 -14.619 1.00 64.31 C ATOM 0 H PHE A 29 10.254 39.345 -12.403 1.00 24.14 H new ATOM 0 HA PHE A 29 9.511 41.898 -13.241 1.00 21.23 H new ATOM 0 HB2 PHE A 29 8.365 39.640 -11.919 1.00 74.23 H new ATOM 0 HB3 PHE A 29 7.999 41.038 -10.929 1.00 74.23 H new ATOM 0 HD1 PHE A 29 7.590 43.193 -12.822 1.00 75.00 H new ATOM 0 HD2 PHE A 29 6.477 39.095 -13.149 1.00 73.43 H new ATOM 0 HE1 PHE A 29 5.773 43.810 -14.357 1.00 70.33 H new ATOM 0 HE2 PHE A 29 4.661 39.707 -14.685 1.00 53.35 H new ATOM 0 HZ PHE A 29 4.307 42.067 -15.296 1.00 64.31 H new ATOM 455 N TYR A 30 10.653 41.759 -10.158 1.00 30.44 N ATOM 456 CA TYR A 30 11.126 42.569 -9.042 1.00 12.32 C ATOM 457 C TYR A 30 12.425 43.285 -9.400 1.00 72.22 C ATOM 458 O TYR A 30 12.885 44.164 -8.671 1.00 11.41 O ATOM 459 CB TYR A 30 11.336 41.697 -7.803 1.00 62.32 C ATOM 460 CG TYR A 30 10.132 41.639 -6.891 1.00 54.23 C ATOM 461 CD1 TYR A 30 9.036 40.845 -7.205 1.00 74.22 C ATOM 462 CD2 TYR A 30 10.089 42.380 -5.717 1.00 33.35 C ATOM 463 CE1 TYR A 30 7.932 40.790 -6.376 1.00 23.45 C ATOM 464 CE2 TYR A 30 8.990 42.329 -4.880 1.00 44.52 C ATOM 465 CZ TYR A 30 7.915 41.533 -5.214 1.00 53.20 C ATOM 466 OH TYR A 30 6.818 41.482 -4.384 1.00 62.42 O ATOM 0 H TYR A 30 10.812 40.757 -10.049 1.00 30.44 H new ATOM 0 HA TYR A 30 10.366 43.320 -8.825 1.00 12.32 H new ATOM 0 HB2 TYR A 30 11.590 40.686 -8.120 1.00 62.32 H new ATOM 0 HB3 TYR A 30 12.189 42.078 -7.241 1.00 62.32 H new ATOM 0 HD1 TYR A 30 9.047 40.260 -8.113 1.00 74.22 H new ATOM 0 HD2 TYR A 30 10.928 43.007 -5.454 1.00 33.35 H new ATOM 0 HE1 TYR A 30 7.088 40.169 -6.636 1.00 23.45 H new ATOM 0 HE2 TYR A 30 8.974 42.910 -3.969 1.00 44.52 H new ATOM 0 HH TYR A 30 6.967 42.062 -3.609 1.00 62.42 H new ATOM 476 N LEU A 31 13.011 42.902 -10.529 1.00 22.20 N ATOM 477 CA LEU A 31 14.257 43.506 -10.987 1.00 4.20 C ATOM 478 C LEU A 31 14.233 43.728 -12.496 1.00 32.31 C ATOM 479 O LEU A 31 14.910 43.040 -13.260 1.00 72.23 O ATOM 480 CB LEU A 31 15.446 42.620 -10.609 1.00 51.15 C ATOM 481 CG LEU A 31 15.885 42.674 -9.146 1.00 3.31 C ATOM 482 CD1 LEU A 31 15.288 41.513 -8.366 1.00 10.41 C ATOM 483 CD2 LEU A 31 17.404 42.663 -9.044 1.00 75.41 C ATOM 0 H LEU A 31 12.643 42.176 -11.144 1.00 22.20 H new ATOM 0 HA LEU A 31 14.363 44.474 -10.498 1.00 4.20 H new ATOM 0 HB2 LEU A 31 15.197 41.588 -10.855 1.00 51.15 H new ATOM 0 HB3 LEU A 31 16.295 42.900 -11.233 1.00 51.15 H new ATOM 0 HG LEU A 31 15.518 43.604 -8.711 1.00 3.31 H new ATOM 0 HD11 LEU A 31 15.612 41.568 -7.327 1.00 10.41 H new ATOM 0 HD12 LEU A 31 14.200 41.566 -8.411 1.00 10.41 H new ATOM 0 HD13 LEU A 31 15.624 40.572 -8.801 1.00 10.41 H new ATOM 0 HD21 LEU A 31 17.699 42.702 -7.995 1.00 75.41 H new ATOM 0 HD22 LEU A 31 17.792 41.751 -9.496 1.00 75.41 H new ATOM 0 HD23 LEU A 31 17.810 43.529 -9.567 1.00 75.41 H new ATOM 495 N PRO A 32 13.436 44.712 -12.937 1.00 12.42 N ATOM 496 CA PRO A 32 13.306 45.050 -14.357 1.00 61.34 C ATOM 497 C PRO A 32 14.571 45.689 -14.919 1.00 42.23 C ATOM 498 O PRO A 32 15.111 46.632 -14.340 1.00 65.43 O ATOM 499 CB PRO A 32 12.146 46.049 -14.380 1.00 64.54 C ATOM 500 CG PRO A 32 12.142 46.655 -13.020 1.00 0.22 C ATOM 501 CD PRO A 32 12.600 45.573 -12.082 1.00 63.32 C ATOM 0 HA PRO A 32 13.137 44.166 -14.972 1.00 61.34 H new ATOM 0 HB2 PRO A 32 12.291 46.806 -15.151 1.00 64.54 H new ATOM 0 HB3 PRO A 32 11.200 45.552 -14.595 1.00 64.54 H new ATOM 0 HG2 PRO A 32 12.807 47.517 -12.975 1.00 0.22 H new ATOM 0 HG3 PRO A 32 11.146 47.007 -12.753 1.00 0.22 H new ATOM 0 HD2 PRO A 32 13.167 45.980 -11.245 1.00 63.32 H new ATOM 0 HD3 PRO A 32 11.758 45.024 -11.660 1.00 63.32 H new ATOM 509 N SER A 33 15.038 45.171 -16.051 1.00 4.13 N ATOM 510 CA SER A 33 16.242 45.690 -16.689 1.00 65.20 C ATOM 511 C SER A 33 15.889 46.543 -17.903 1.00 40.32 C ATOM 512 O SER A 33 14.717 46.705 -18.242 1.00 75.22 O ATOM 513 CB SER A 33 17.158 44.539 -17.110 1.00 24.14 C ATOM 514 OG SER A 33 18.450 44.682 -16.544 1.00 33.23 O ATOM 0 H SER A 33 14.601 44.393 -16.545 1.00 4.13 H new ATOM 0 HA SER A 33 16.765 46.316 -15.966 1.00 65.20 H new ATOM 0 HB2 SER A 33 16.723 43.590 -16.796 1.00 24.14 H new ATOM 0 HB3 SER A 33 17.235 44.510 -18.197 1.00 24.14 H new ATOM 0 HG SER A 33 19.016 43.933 -16.827 1.00 33.23 H new ATOM 520 N ASP A 34 16.912 47.087 -18.554 1.00 15.33 N ATOM 521 CA ASP A 34 16.711 47.924 -19.731 1.00 73.22 C ATOM 522 C ASP A 34 17.541 47.417 -20.906 1.00 64.10 C ATOM 523 O ASP A 34 17.793 48.150 -21.863 1.00 70.02 O ATOM 524 CB ASP A 34 17.077 49.376 -19.420 1.00 64.22 C ATOM 525 CG ASP A 34 16.027 50.070 -18.575 1.00 62.23 C ATOM 526 OD1 ASP A 34 14.831 49.748 -18.733 1.00 33.33 O ATOM 527 OD2 ASP A 34 16.402 50.934 -17.756 1.00 52.52 O ATOM 0 H ASP A 34 17.888 46.963 -18.286 1.00 15.33 H new ATOM 0 HA ASP A 34 15.657 47.875 -20.006 1.00 73.22 H new ATOM 0 HB2 ASP A 34 18.034 49.403 -18.899 1.00 64.22 H new ATOM 0 HB3 ASP A 34 17.207 49.923 -20.354 1.00 64.22 H new ATOM 532 N CYS A 35 17.965 46.160 -20.826 1.00 11.52 N ATOM 533 CA CYS A 35 18.769 45.556 -21.882 1.00 24.13 C ATOM 534 C CYS A 35 17.952 44.541 -22.674 1.00 61.03 C ATOM 535 O CYS A 35 18.365 44.095 -23.744 1.00 3.21 O ATOM 536 CB CYS A 35 20.005 44.880 -21.286 1.00 43.12 C ATOM 537 SG CYS A 35 21.515 45.868 -21.403 1.00 63.13 S ATOM 0 H CYS A 35 17.765 45.540 -20.041 1.00 11.52 H new ATOM 0 HA CYS A 35 19.088 46.347 -22.560 1.00 24.13 H new ATOM 0 HB2 CYS A 35 19.812 44.654 -20.237 1.00 43.12 H new ATOM 0 HB3 CYS A 35 20.166 43.929 -21.793 1.00 43.12 H new ATOM 0 HG CYS A 35 22.504 45.214 -20.871 1.00 63.13 H new ATOM 543 N GLY A 36 16.789 44.178 -22.140 1.00 44.55 N ATOM 544 CA GLY A 36 15.933 43.217 -22.810 1.00 41.24 C ATOM 545 C GLY A 36 15.835 41.905 -22.058 1.00 63.11 C ATOM 546 O GLY A 36 15.321 40.918 -22.584 1.00 4.21 O ATOM 0 H GLY A 36 16.425 44.533 -21.256 1.00 44.55 H new ATOM 0 HA2 GLY A 36 14.936 43.642 -22.925 1.00 41.24 H new ATOM 0 HA3 GLY A 36 16.317 43.030 -23.813 1.00 41.24 H new ATOM 550 N GLU A 37 16.331 41.893 -20.825 1.00 21.03 N ATOM 551 CA GLU A 37 16.299 40.690 -20.001 1.00 11.43 C ATOM 552 C GLU A 37 14.879 40.142 -19.894 1.00 32.00 C ATOM 553 O GLU A 37 14.672 38.930 -19.823 1.00 4.34 O ATOM 554 CB GLU A 37 16.849 40.987 -18.604 1.00 40.32 C ATOM 555 CG GLU A 37 17.679 39.855 -18.024 1.00 22.14 C ATOM 556 CD GLU A 37 17.280 39.508 -16.602 1.00 40.14 C ATOM 557 OE1 GLU A 37 16.071 39.564 -16.295 1.00 2.35 O ATOM 558 OE2 GLU A 37 18.177 39.180 -15.798 1.00 45.11 O ATOM 0 H GLU A 37 16.759 42.702 -20.375 1.00 21.03 H new ATOM 0 HA GLU A 37 16.926 39.937 -20.478 1.00 11.43 H new ATOM 0 HB2 GLU A 37 17.460 41.889 -18.647 1.00 40.32 H new ATOM 0 HB3 GLU A 37 16.017 41.197 -17.932 1.00 40.32 H new ATOM 0 HG2 GLU A 37 17.572 38.972 -18.653 1.00 22.14 H new ATOM 0 HG3 GLU A 37 18.732 40.135 -18.044 1.00 22.14 H new ATOM 565 N LYS A 38 13.902 41.043 -19.883 1.00 23.01 N ATOM 566 CA LYS A 38 12.501 40.652 -19.786 1.00 0.14 C ATOM 567 C LYS A 38 12.126 39.689 -20.908 1.00 15.34 C ATOM 568 O LYS A 38 11.648 38.584 -20.655 1.00 61.42 O ATOM 569 CB LYS A 38 11.601 41.888 -19.837 1.00 55.44 C ATOM 570 CG LYS A 38 11.915 42.915 -18.764 1.00 2.44 C ATOM 571 CD LYS A 38 11.468 42.442 -17.391 1.00 32.12 C ATOM 572 CE LYS A 38 10.190 43.139 -16.950 1.00 75.42 C ATOM 573 NZ LYS A 38 9.624 42.531 -15.714 1.00 24.32 N ATOM 0 H LYS A 38 14.055 42.050 -19.940 1.00 23.01 H new ATOM 0 HA LYS A 38 12.356 40.144 -18.832 1.00 0.14 H new ATOM 0 HB2 LYS A 38 11.698 42.357 -20.816 1.00 55.44 H new ATOM 0 HB3 LYS A 38 10.562 41.575 -19.735 1.00 55.44 H new ATOM 0 HG2 LYS A 38 12.987 43.112 -18.751 1.00 2.44 H new ATOM 0 HG3 LYS A 38 11.421 43.856 -19.004 1.00 2.44 H new ATOM 0 HD2 LYS A 38 11.308 41.364 -17.411 1.00 32.12 H new ATOM 0 HD3 LYS A 38 12.257 42.633 -16.664 1.00 32.12 H new ATOM 0 HE2 LYS A 38 10.395 44.195 -16.774 1.00 75.42 H new ATOM 0 HE3 LYS A 38 9.453 43.086 -17.751 1.00 75.42 H new ATOM 0 HZ1 LYS A 38 8.992 43.214 -15.249 1.00 24.32 H new ATOM 0 HZ2 LYS A 38 9.087 41.676 -15.962 1.00 24.32 H new ATOM 0 HZ3 LYS A 38 10.397 42.278 -15.066 1.00 24.32 H new ATOM 587 N MET A 39 12.346 40.117 -22.147 1.00 31.15 N ATOM 588 CA MET A 39 12.033 39.291 -23.307 1.00 33.33 C ATOM 589 C MET A 39 12.755 37.949 -23.230 1.00 13.15 C ATOM 590 O MET A 39 12.151 36.895 -23.432 1.00 64.30 O ATOM 591 CB MET A 39 12.419 40.017 -24.596 1.00 50.44 C ATOM 592 CG MET A 39 11.373 39.905 -25.694 1.00 1.33 C ATOM 593 SD MET A 39 11.858 40.761 -27.205 1.00 74.21 S ATOM 594 CE MET A 39 10.543 40.260 -28.314 1.00 64.40 C ATOM 0 H MET A 39 12.740 41.030 -22.373 1.00 31.15 H new ATOM 0 HA MET A 39 10.959 39.106 -23.310 1.00 33.33 H new ATOM 0 HB2 MET A 39 12.588 41.070 -24.373 1.00 50.44 H new ATOM 0 HB3 MET A 39 13.363 39.613 -24.962 1.00 50.44 H new ATOM 0 HG2 MET A 39 11.198 38.853 -25.917 1.00 1.33 H new ATOM 0 HG3 MET A 39 10.429 40.316 -25.335 1.00 1.33 H new ATOM 0 HE1 MET A 39 10.702 40.710 -29.294 1.00 64.40 H new ATOM 0 HE2 MET A 39 10.541 39.174 -28.409 1.00 64.40 H new ATOM 0 HE3 MET A 39 9.584 40.591 -27.914 1.00 64.40 H new ATOM 604 N THR A 40 14.050 37.995 -22.936 1.00 4.34 N ATOM 605 CA THR A 40 14.855 36.784 -22.833 1.00 54.14 C ATOM 606 C THR A 40 14.245 35.802 -21.839 1.00 64.04 C ATOM 607 O THR A 40 14.422 34.589 -21.962 1.00 12.12 O ATOM 608 CB THR A 40 16.299 37.103 -22.403 1.00 13.31 C ATOM 609 OG1 THR A 40 16.944 37.898 -23.404 1.00 11.31 O ATOM 610 CG2 THR A 40 17.091 35.825 -22.175 1.00 73.54 C ATOM 0 H THR A 40 14.565 38.859 -22.765 1.00 4.34 H new ATOM 0 HA THR A 40 14.872 36.331 -23.824 1.00 54.14 H new ATOM 0 HB THR A 40 16.261 37.660 -21.467 1.00 13.31 H new ATOM 0 HG1 THR A 40 17.861 38.098 -23.122 1.00 11.31 H new ATOM 0 HG21 THR A 40 18.108 36.076 -21.872 1.00 73.54 H new ATOM 0 HG22 THR A 40 16.614 35.236 -21.392 1.00 73.54 H new ATOM 0 HG23 THR A 40 17.120 35.245 -23.098 1.00 73.54 H new ATOM 618 N LEU A 41 13.527 36.332 -20.855 1.00 44.35 N ATOM 619 CA LEU A 41 12.890 35.501 -19.840 1.00 4.54 C ATOM 620 C LEU A 41 11.679 34.773 -20.413 1.00 11.22 C ATOM 621 O LEU A 41 11.453 33.598 -20.121 1.00 2.11 O ATOM 622 CB LEU A 41 12.467 36.357 -18.645 1.00 12.53 C ATOM 623 CG LEU A 41 12.459 35.656 -17.286 1.00 13.21 C ATOM 624 CD1 LEU A 41 11.470 34.500 -17.288 1.00 2.55 C ATOM 625 CD2 LEU A 41 13.855 35.166 -16.931 1.00 32.25 C ATOM 0 H LEU A 41 13.371 37.333 -20.739 1.00 44.35 H new ATOM 0 HA LEU A 41 13.614 34.757 -19.508 1.00 4.54 H new ATOM 0 HB2 LEU A 41 13.135 37.216 -18.584 1.00 12.53 H new ATOM 0 HB3 LEU A 41 11.467 36.745 -18.837 1.00 12.53 H new ATOM 0 HG LEU A 41 12.145 36.375 -16.529 1.00 13.21 H new ATOM 0 HD11 LEU A 41 11.478 34.013 -16.313 1.00 2.55 H new ATOM 0 HD12 LEU A 41 10.469 34.878 -17.497 1.00 2.55 H new ATOM 0 HD13 LEU A 41 11.754 33.780 -18.056 1.00 2.55 H new ATOM 0 HD21 LEU A 41 13.831 34.670 -15.961 1.00 32.25 H new ATOM 0 HD22 LEU A 41 14.198 34.463 -17.690 1.00 32.25 H new ATOM 0 HD23 LEU A 41 14.538 36.014 -16.888 1.00 32.25 H new ATOM 637 N CYS A 42 10.904 35.477 -21.231 1.00 5.34 N ATOM 638 CA CYS A 42 9.716 34.897 -21.847 1.00 3.33 C ATOM 639 C CYS A 42 10.084 33.698 -22.714 1.00 30.54 C ATOM 640 O CYS A 42 9.432 32.655 -22.656 1.00 74.33 O ATOM 641 CB CYS A 42 8.989 35.947 -22.689 1.00 21.43 C ATOM 642 SG CYS A 42 7.588 35.297 -23.629 1.00 61.02 S ATOM 0 H CYS A 42 11.077 36.450 -21.483 1.00 5.34 H new ATOM 0 HA CYS A 42 9.053 34.557 -21.051 1.00 3.33 H new ATOM 0 HB2 CYS A 42 8.635 36.742 -22.033 1.00 21.43 H new ATOM 0 HB3 CYS A 42 9.700 36.398 -23.382 1.00 21.43 H new ATOM 0 HG CYS A 42 7.037 36.259 -24.307 1.00 61.02 H new ATOM 648 N ILE A 43 11.131 33.853 -23.517 1.00 0.33 N ATOM 649 CA ILE A 43 11.585 32.783 -24.396 1.00 74.10 C ATOM 650 C ILE A 43 12.269 31.674 -23.604 1.00 73.32 C ATOM 651 O ILE A 43 12.291 30.518 -24.027 1.00 72.12 O ATOM 652 CB ILE A 43 12.558 33.309 -25.467 1.00 61.13 C ATOM 653 CG1 ILE A 43 11.863 34.343 -26.355 1.00 43.32 C ATOM 654 CG2 ILE A 43 13.095 32.158 -26.306 1.00 0.44 C ATOM 655 CD1 ILE A 43 12.620 35.648 -26.469 1.00 24.11 C ATOM 0 H ILE A 43 11.681 34.710 -23.577 1.00 0.33 H new ATOM 0 HA ILE A 43 10.699 32.381 -24.888 1.00 74.10 H new ATOM 0 HB ILE A 43 13.398 33.792 -24.968 1.00 61.13 H new ATOM 0 HG12 ILE A 43 11.728 33.922 -27.351 1.00 43.32 H new ATOM 0 HG13 ILE A 43 10.868 34.543 -25.956 1.00 43.32 H new ATOM 0 HG21 ILE A 43 13.781 32.546 -27.059 1.00 0.44 H new ATOM 0 HG22 ILE A 43 13.622 31.454 -25.662 1.00 0.44 H new ATOM 0 HG23 ILE A 43 12.266 31.649 -26.798 1.00 0.44 H new ATOM 0 HD11 ILE A 43 12.069 36.333 -27.113 1.00 24.11 H new ATOM 0 HD12 ILE A 43 12.732 36.091 -25.480 1.00 24.11 H new ATOM 0 HD13 ILE A 43 13.605 35.461 -26.897 1.00 24.11 H new ATOM 667 N SER A 44 12.825 32.033 -22.452 1.00 13.24 N ATOM 668 CA SER A 44 13.512 31.069 -21.601 1.00 35.25 C ATOM 669 C SER A 44 12.514 30.132 -20.927 1.00 31.44 C ATOM 670 O SER A 44 12.616 28.910 -21.042 1.00 51.24 O ATOM 671 CB SER A 44 14.344 31.794 -20.541 1.00 33.41 C ATOM 672 OG SER A 44 14.802 30.892 -19.548 1.00 14.42 O ATOM 0 H SER A 44 12.813 32.985 -22.086 1.00 13.24 H new ATOM 0 HA SER A 44 14.175 30.475 -22.229 1.00 35.25 H new ATOM 0 HB2 SER A 44 15.196 32.282 -21.014 1.00 33.41 H new ATOM 0 HB3 SER A 44 13.745 32.577 -20.077 1.00 33.41 H new ATOM 0 HG SER A 44 15.332 31.379 -18.883 1.00 14.42 H new ATOM 678 N VAL A 45 11.549 30.713 -20.222 1.00 14.14 N ATOM 679 CA VAL A 45 10.531 29.932 -19.529 1.00 72.43 C ATOM 680 C VAL A 45 9.786 29.019 -20.497 1.00 24.41 C ATOM 681 O VAL A 45 9.422 27.894 -20.151 1.00 63.21 O ATOM 682 CB VAL A 45 9.514 30.842 -18.814 1.00 63.34 C ATOM 683 CG1 VAL A 45 8.217 30.091 -18.553 1.00 41.51 C ATOM 684 CG2 VAL A 45 10.100 31.378 -17.517 1.00 43.11 C ATOM 0 H VAL A 45 11.451 31.723 -20.115 1.00 14.14 H new ATOM 0 HA VAL A 45 11.049 29.325 -18.786 1.00 72.43 H new ATOM 0 HB VAL A 45 9.291 31.689 -19.463 1.00 63.34 H new ATOM 0 HG11 VAL A 45 7.511 30.749 -18.047 1.00 41.51 H new ATOM 0 HG12 VAL A 45 7.791 29.761 -19.500 1.00 41.51 H new ATOM 0 HG13 VAL A 45 8.419 29.224 -17.924 1.00 41.51 H new ATOM 0 HG21 VAL A 45 9.369 32.019 -17.025 1.00 43.11 H new ATOM 0 HG22 VAL A 45 10.353 30.545 -16.861 1.00 43.11 H new ATOM 0 HG23 VAL A 45 10.999 31.954 -17.735 1.00 43.11 H new ATOM 694 N LEU A 46 9.563 29.509 -21.711 1.00 63.12 N ATOM 695 CA LEU A 46 8.862 28.737 -22.731 1.00 60.12 C ATOM 696 C LEU A 46 9.718 27.572 -23.217 1.00 22.45 C ATOM 697 O LEU A 46 9.209 26.482 -23.482 1.00 64.34 O ATOM 698 CB LEU A 46 8.487 29.635 -23.911 1.00 42.31 C ATOM 699 CG LEU A 46 7.249 29.218 -24.706 1.00 24.02 C ATOM 700 CD1 LEU A 46 6.484 30.442 -25.184 1.00 10.24 C ATOM 701 CD2 LEU A 46 7.643 28.340 -25.884 1.00 64.53 C ATOM 0 H LEU A 46 9.857 30.438 -22.013 1.00 63.12 H new ATOM 0 HA LEU A 46 7.953 28.335 -22.285 1.00 60.12 H new ATOM 0 HB2 LEU A 46 8.330 30.646 -23.536 1.00 42.31 H new ATOM 0 HB3 LEU A 46 9.336 29.677 -24.594 1.00 42.31 H new ATOM 0 HG LEU A 46 6.597 28.641 -24.050 1.00 24.02 H new ATOM 0 HD11 LEU A 46 5.606 30.125 -25.748 1.00 10.24 H new ATOM 0 HD12 LEU A 46 6.169 31.033 -24.324 1.00 10.24 H new ATOM 0 HD13 LEU A 46 7.127 31.046 -25.823 1.00 10.24 H new ATOM 0 HD21 LEU A 46 6.750 28.053 -26.438 1.00 64.53 H new ATOM 0 HD22 LEU A 46 8.316 28.892 -26.540 1.00 64.53 H new ATOM 0 HD23 LEU A 46 8.147 27.445 -25.518 1.00 64.53 H new ATOM 713 N LEU A 47 11.021 27.808 -23.328 1.00 73.50 N ATOM 714 CA LEU A 47 11.949 26.777 -23.779 1.00 62.33 C ATOM 715 C LEU A 47 11.800 25.508 -22.946 1.00 64.54 C ATOM 716 O LEU A 47 11.612 24.418 -23.486 1.00 62.31 O ATOM 717 CB LEU A 47 13.389 27.288 -23.698 1.00 14.02 C ATOM 718 CG LEU A 47 14.425 26.506 -24.505 1.00 24.34 C ATOM 719 CD1 LEU A 47 15.232 27.444 -25.389 1.00 25.43 C ATOM 720 CD2 LEU A 47 15.343 25.723 -23.577 1.00 22.11 C ATOM 0 H LEU A 47 11.458 28.704 -23.112 1.00 73.50 H new ATOM 0 HA LEU A 47 11.712 26.539 -24.816 1.00 62.33 H new ATOM 0 HB2 LEU A 47 13.405 28.325 -24.033 1.00 14.02 H new ATOM 0 HB3 LEU A 47 13.696 27.286 -22.652 1.00 14.02 H new ATOM 0 HG LEU A 47 13.900 25.798 -25.146 1.00 24.34 H new ATOM 0 HD11 LEU A 47 15.964 26.869 -25.956 1.00 25.43 H new ATOM 0 HD12 LEU A 47 14.563 27.960 -26.078 1.00 25.43 H new ATOM 0 HD13 LEU A 47 15.748 28.176 -24.767 1.00 25.43 H new ATOM 0 HD21 LEU A 47 16.074 25.172 -24.168 1.00 22.11 H new ATOM 0 HD22 LEU A 47 15.861 26.413 -22.910 1.00 22.11 H new ATOM 0 HD23 LEU A 47 14.752 25.023 -22.987 1.00 22.11 H new ATOM 732 N ALA A 48 11.884 25.658 -21.629 1.00 22.54 N ATOM 733 CA ALA A 48 11.755 24.524 -20.721 1.00 14.30 C ATOM 734 C ALA A 48 10.427 23.803 -20.929 1.00 43.14 C ATOM 735 O ALA A 48 10.382 22.575 -21.006 1.00 32.53 O ATOM 736 CB ALA A 48 11.885 24.987 -19.277 1.00 62.23 C ATOM 0 H ALA A 48 12.041 26.553 -21.166 1.00 22.54 H new ATOM 0 HA ALA A 48 12.559 23.821 -20.940 1.00 14.30 H new ATOM 0 HB1 ALA A 48 11.787 24.130 -18.610 1.00 62.23 H new ATOM 0 HB2 ALA A 48 12.860 25.451 -19.130 1.00 62.23 H new ATOM 0 HB3 ALA A 48 11.101 25.711 -19.055 1.00 62.23 H new ATOM 742 N LEU A 49 9.349 24.573 -21.020 1.00 12.30 N ATOM 743 CA LEU A 49 8.019 24.007 -21.219 1.00 50.41 C ATOM 744 C LEU A 49 7.956 23.209 -22.517 1.00 72.12 C ATOM 745 O LEU A 49 7.176 22.264 -22.641 1.00 55.20 O ATOM 746 CB LEU A 49 6.968 25.119 -21.239 1.00 30.31 C ATOM 747 CG LEU A 49 5.943 25.093 -20.105 1.00 10.34 C ATOM 748 CD1 LEU A 49 5.340 26.474 -19.899 1.00 51.22 C ATOM 749 CD2 LEU A 49 4.853 24.071 -20.393 1.00 63.01 C ATOM 0 H LEU A 49 9.369 25.591 -20.959 1.00 12.30 H new ATOM 0 HA LEU A 49 7.810 23.332 -20.389 1.00 50.41 H new ATOM 0 HB2 LEU A 49 7.483 26.079 -21.214 1.00 30.31 H new ATOM 0 HB3 LEU A 49 6.433 25.069 -22.187 1.00 30.31 H new ATOM 0 HG LEU A 49 6.453 24.801 -19.187 1.00 10.34 H new ATOM 0 HD11 LEU A 49 4.613 26.436 -19.088 1.00 51.22 H new ATOM 0 HD12 LEU A 49 6.129 27.182 -19.646 1.00 51.22 H new ATOM 0 HD13 LEU A 49 4.845 26.795 -20.815 1.00 51.22 H new ATOM 0 HD21 LEU A 49 4.133 24.067 -19.575 1.00 63.01 H new ATOM 0 HD22 LEU A 49 4.346 24.332 -21.322 1.00 63.01 H new ATOM 0 HD23 LEU A 49 5.299 23.081 -20.489 1.00 63.01 H new ATOM 761 N THR A 50 8.784 23.593 -23.483 1.00 42.25 N ATOM 762 CA THR A 50 8.824 22.913 -24.772 1.00 15.21 C ATOM 763 C THR A 50 9.417 21.515 -24.638 1.00 11.41 C ATOM 764 O THR A 50 8.882 20.548 -25.181 1.00 3.51 O ATOM 765 CB THR A 50 9.644 23.710 -25.803 1.00 45.40 C ATOM 766 OG1 THR A 50 9.330 25.104 -25.708 1.00 13.10 O ATOM 767 CG2 THR A 50 9.365 23.217 -27.215 1.00 2.42 C ATOM 0 H THR A 50 9.437 24.372 -23.397 1.00 42.25 H new ATOM 0 HA THR A 50 7.794 22.836 -25.120 1.00 15.21 H new ATOM 0 HB THR A 50 10.702 23.561 -25.586 1.00 45.40 H new ATOM 0 HG1 THR A 50 9.691 25.464 -24.871 1.00 13.10 H new ATOM 0 HG21 THR A 50 9.956 23.795 -27.926 1.00 2.42 H new ATOM 0 HG22 THR A 50 9.634 22.163 -27.292 1.00 2.42 H new ATOM 0 HG23 THR A 50 8.305 23.339 -27.440 1.00 2.42 H new ATOM 775 N VAL A 51 10.525 21.415 -23.911 1.00 1.13 N ATOM 776 CA VAL A 51 11.190 20.134 -23.704 1.00 3.33 C ATOM 777 C VAL A 51 10.214 19.086 -23.182 1.00 2.13 C ATOM 778 O VAL A 51 10.029 18.035 -23.795 1.00 30.41 O ATOM 779 CB VAL A 51 12.364 20.265 -22.715 1.00 31.22 C ATOM 780 CG1 VAL A 51 13.072 18.929 -22.547 1.00 44.25 C ATOM 781 CG2 VAL A 51 13.336 21.339 -23.180 1.00 74.55 C ATOM 0 H VAL A 51 10.981 22.206 -23.456 1.00 1.13 H new ATOM 0 HA VAL A 51 11.575 19.816 -24.673 1.00 3.33 H new ATOM 0 HB VAL A 51 11.967 20.563 -21.745 1.00 31.22 H new ATOM 0 HG11 VAL A 51 13.898 19.041 -21.845 1.00 44.25 H new ATOM 0 HG12 VAL A 51 12.368 18.190 -22.164 1.00 44.25 H new ATOM 0 HG13 VAL A 51 13.457 18.598 -23.511 1.00 44.25 H new ATOM 0 HG21 VAL A 51 14.159 21.418 -22.469 1.00 74.55 H new ATOM 0 HG22 VAL A 51 13.729 21.074 -24.162 1.00 74.55 H new ATOM 0 HG23 VAL A 51 12.818 22.296 -23.243 1.00 74.55 H new ATOM 791 N PHE A 52 9.591 19.380 -22.045 1.00 62.31 N ATOM 792 CA PHE A 52 8.633 18.462 -21.439 1.00 44.22 C ATOM 793 C PHE A 52 7.430 18.251 -22.353 1.00 73.10 C ATOM 794 O PHE A 52 6.890 17.147 -22.443 1.00 41.20 O ATOM 795 CB PHE A 52 8.170 18.997 -20.083 1.00 3.34 C ATOM 796 CG PHE A 52 9.110 18.672 -18.957 1.00 63.33 C ATOM 797 CD1 PHE A 52 9.178 17.387 -18.443 1.00 63.25 C ATOM 798 CD2 PHE A 52 9.926 19.651 -18.413 1.00 35.02 C ATOM 799 CE1 PHE A 52 10.042 17.084 -17.408 1.00 64.31 C ATOM 800 CE2 PHE A 52 10.792 19.354 -17.378 1.00 31.22 C ATOM 801 CZ PHE A 52 10.850 18.069 -16.874 1.00 75.00 C ATOM 0 H PHE A 52 9.732 20.246 -21.525 1.00 62.31 H new ATOM 0 HA PHE A 52 9.129 17.502 -21.293 1.00 44.22 H new ATOM 0 HB2 PHE A 52 8.055 20.079 -20.149 1.00 3.34 H new ATOM 0 HB3 PHE A 52 7.187 18.585 -19.855 1.00 3.34 H new ATOM 0 HD1 PHE A 52 8.548 16.613 -18.856 1.00 63.25 H new ATOM 0 HD2 PHE A 52 9.885 20.658 -18.802 1.00 35.02 H new ATOM 0 HE1 PHE A 52 10.086 16.078 -17.017 1.00 64.31 H new ATOM 0 HE2 PHE A 52 11.423 20.126 -16.963 1.00 31.22 H new ATOM 0 HZ PHE A 52 11.525 17.835 -16.064 1.00 75.00 H new ATOM 811 N LEU A 53 7.014 19.316 -23.029 1.00 14.12 N ATOM 812 CA LEU A 53 5.873 19.249 -23.936 1.00 42.21 C ATOM 813 C LEU A 53 6.034 18.103 -24.929 1.00 71.32 C ATOM 814 O LEU A 53 5.199 17.199 -24.991 1.00 62.01 O ATOM 815 CB LEU A 53 5.716 20.572 -24.688 1.00 2.11 C ATOM 816 CG LEU A 53 4.561 21.467 -24.238 1.00 74.31 C ATOM 817 CD1 LEU A 53 4.678 22.846 -24.867 1.00 12.52 C ATOM 818 CD2 LEU A 53 3.224 20.830 -24.591 1.00 24.42 C ATOM 0 H LEU A 53 7.449 20.236 -22.966 1.00 14.12 H new ATOM 0 HA LEU A 53 4.978 19.067 -23.342 1.00 42.21 H new ATOM 0 HB2 LEU A 53 6.644 21.135 -24.590 1.00 2.11 H new ATOM 0 HB3 LEU A 53 5.587 20.351 -25.748 1.00 2.11 H new ATOM 0 HG LEU A 53 4.614 21.578 -23.155 1.00 74.31 H new ATOM 0 HD11 LEU A 53 3.847 23.469 -24.535 1.00 12.52 H new ATOM 0 HD12 LEU A 53 5.619 23.305 -24.565 1.00 12.52 H new ATOM 0 HD13 LEU A 53 4.651 22.754 -25.953 1.00 12.52 H new ATOM 0 HD21 LEU A 53 2.413 21.481 -24.263 1.00 24.42 H new ATOM 0 HD22 LEU A 53 3.162 20.688 -25.670 1.00 24.42 H new ATOM 0 HD23 LEU A 53 3.138 19.864 -24.093 1.00 24.42 H new ATOM 830 N LEU A 54 7.113 18.144 -25.703 1.00 52.31 N ATOM 831 CA LEU A 54 7.385 17.108 -26.693 1.00 20.54 C ATOM 832 C LEU A 54 7.419 15.729 -26.041 1.00 72.33 C ATOM 833 O LEU A 54 7.022 14.733 -26.649 1.00 13.33 O ATOM 834 CB LEU A 54 8.714 17.384 -27.397 1.00 63.13 C ATOM 835 CG LEU A 54 8.635 18.216 -28.678 1.00 31.12 C ATOM 836 CD1 LEU A 54 10.029 18.538 -29.193 1.00 22.24 C ATOM 837 CD2 LEU A 54 7.828 17.484 -29.740 1.00 71.12 C ATOM 0 H LEU A 54 7.814 18.884 -25.664 1.00 52.31 H new ATOM 0 HA LEU A 54 6.581 17.123 -27.429 1.00 20.54 H new ATOM 0 HB2 LEU A 54 9.374 17.895 -26.696 1.00 63.13 H new ATOM 0 HB3 LEU A 54 9.181 16.429 -27.636 1.00 63.13 H new ATOM 0 HG LEU A 54 8.130 19.154 -28.448 1.00 31.12 H new ATOM 0 HD11 LEU A 54 9.952 19.130 -30.105 1.00 22.24 H new ATOM 0 HD12 LEU A 54 10.574 19.104 -28.438 1.00 22.24 H new ATOM 0 HD13 LEU A 54 10.561 17.611 -29.406 1.00 22.24 H new ATOM 0 HD21 LEU A 54 7.782 18.091 -30.644 1.00 71.12 H new ATOM 0 HD22 LEU A 54 8.305 16.530 -29.966 1.00 71.12 H new ATOM 0 HD23 LEU A 54 6.818 17.306 -29.371 1.00 71.12 H new ATOM 849 N LEU A 55 7.893 15.677 -24.802 1.00 1.35 N ATOM 850 CA LEU A 55 7.977 14.420 -24.066 1.00 14.43 C ATOM 851 C LEU A 55 6.638 13.689 -24.084 1.00 23.21 C ATOM 852 O LEU A 55 6.527 12.592 -24.632 1.00 20.44 O ATOM 853 CB LEU A 55 8.409 14.680 -22.622 1.00 24.23 C ATOM 854 CG LEU A 55 9.150 13.536 -21.927 1.00 41.43 C ATOM 855 CD1 LEU A 55 9.963 14.061 -20.754 1.00 14.52 C ATOM 856 CD2 LEU A 55 8.169 12.469 -21.464 1.00 64.03 C ATOM 0 H LEU A 55 8.225 16.491 -24.285 1.00 1.35 H new ATOM 0 HA LEU A 55 8.721 13.790 -24.554 1.00 14.43 H new ATOM 0 HB2 LEU A 55 9.049 15.562 -22.608 1.00 24.23 H new ATOM 0 HB3 LEU A 55 7.522 14.921 -22.036 1.00 24.23 H new ATOM 0 HG LEU A 55 9.836 13.084 -22.644 1.00 41.43 H new ATOM 0 HD11 LEU A 55 10.483 13.233 -20.272 1.00 14.52 H new ATOM 0 HD12 LEU A 55 10.692 14.788 -21.113 1.00 14.52 H new ATOM 0 HD13 LEU A 55 9.298 14.539 -20.035 1.00 14.52 H new ATOM 0 HD21 LEU A 55 8.713 11.663 -20.972 1.00 64.03 H new ATOM 0 HD22 LEU A 55 7.458 12.907 -20.763 1.00 64.03 H new ATOM 0 HD23 LEU A 55 7.631 12.071 -22.325 1.00 64.03 H new ATOM 868 N ILE A 56 5.625 14.304 -23.484 1.00 2.53 N ATOM 869 CA ILE A 56 4.294 13.713 -23.434 1.00 51.13 C ATOM 870 C ILE A 56 3.599 13.810 -24.788 1.00 15.40 C ATOM 871 O ILE A 56 2.720 13.008 -25.105 1.00 45.24 O ATOM 872 CB ILE A 56 3.415 14.394 -22.368 1.00 71.53 C ATOM 873 CG1 ILE A 56 4.221 14.638 -21.091 1.00 44.12 C ATOM 874 CG2 ILE A 56 2.188 13.544 -22.072 1.00 23.40 C ATOM 875 CD1 ILE A 56 4.667 16.074 -20.924 1.00 21.23 C ATOM 0 H ILE A 56 5.701 15.212 -23.025 1.00 2.53 H new ATOM 0 HA ILE A 56 4.424 12.664 -23.169 1.00 51.13 H new ATOM 0 HB ILE A 56 3.082 15.357 -22.754 1.00 71.53 H new ATOM 0 HG12 ILE A 56 3.618 14.351 -20.230 1.00 44.12 H new ATOM 0 HG13 ILE A 56 5.099 13.991 -21.096 1.00 44.12 H new ATOM 0 HG21 ILE A 56 1.577 14.038 -21.317 1.00 23.40 H new ATOM 0 HG22 ILE A 56 1.605 13.416 -22.984 1.00 23.40 H new ATOM 0 HG23 ILE A 56 2.502 12.568 -21.703 1.00 23.40 H new ATOM 0 HD11 ILE A 56 5.233 16.174 -19.998 1.00 21.23 H new ATOM 0 HD12 ILE A 56 5.297 16.360 -21.767 1.00 21.23 H new ATOM 0 HD13 ILE A 56 3.793 16.724 -20.887 1.00 21.23 H new ATOM 1056 N SER A 69 -2.762 14.043 -15.468 1.00 2.34 N ATOM 1057 CA SER A 69 -1.538 14.636 -14.942 1.00 24.11 C ATOM 1058 C SER A 69 -0.986 15.685 -15.902 1.00 41.14 C ATOM 1059 O SER A 69 -0.997 16.880 -15.607 1.00 43.35 O ATOM 1060 CB SER A 69 -0.487 13.552 -14.694 1.00 63.03 C ATOM 1061 OG SER A 69 -1.034 12.469 -13.963 1.00 70.51 O ATOM 0 HA SER A 69 -1.777 15.124 -13.997 1.00 24.11 H new ATOM 0 HB2 SER A 69 -0.099 13.192 -15.647 1.00 63.03 H new ATOM 0 HB3 SER A 69 0.355 13.976 -14.147 1.00 63.03 H new ATOM 0 HG SER A 69 -1.973 12.345 -14.215 1.00 70.51 H new ATOM 1067 N VAL A 70 -0.504 15.229 -17.054 1.00 24.31 N ATOM 1068 CA VAL A 70 0.052 16.126 -18.060 1.00 10.55 C ATOM 1069 C VAL A 70 -0.956 17.200 -18.454 1.00 44.42 C ATOM 1070 O VAL A 70 -0.584 18.330 -18.769 1.00 65.11 O ATOM 1071 CB VAL A 70 0.486 15.357 -19.321 1.00 73.50 C ATOM 1072 CG1 VAL A 70 -0.661 14.510 -19.851 1.00 34.43 C ATOM 1073 CG2 VAL A 70 0.985 16.320 -20.387 1.00 72.13 C ATOM 0 H VAL A 70 -0.487 14.243 -17.314 1.00 24.31 H new ATOM 0 HA VAL A 70 0.927 16.598 -17.614 1.00 10.55 H new ATOM 0 HB VAL A 70 1.306 14.690 -19.054 1.00 73.50 H new ATOM 0 HG11 VAL A 70 -0.336 13.974 -20.742 1.00 34.43 H new ATOM 0 HG12 VAL A 70 -0.967 13.794 -19.088 1.00 34.43 H new ATOM 0 HG13 VAL A 70 -1.503 15.155 -20.103 1.00 34.43 H new ATOM 0 HG21 VAL A 70 1.288 15.759 -21.271 1.00 72.13 H new ATOM 0 HG22 VAL A 70 0.187 17.014 -20.653 1.00 72.13 H new ATOM 0 HG23 VAL A 70 1.838 16.878 -20.002 1.00 72.13 H new ATOM 1083 N GLY A 71 -2.235 16.840 -18.434 1.00 73.44 N ATOM 1084 CA GLY A 71 -3.278 17.784 -18.792 1.00 22.12 C ATOM 1085 C GLY A 71 -3.558 18.783 -17.687 1.00 51.54 C ATOM 1086 O GLY A 71 -3.722 19.975 -17.948 1.00 34.24 O ATOM 0 H GLY A 71 -2.568 15.911 -18.176 1.00 73.44 H new ATOM 0 HA2 GLY A 71 -2.986 18.319 -19.696 1.00 22.12 H new ATOM 0 HA3 GLY A 71 -4.193 17.239 -19.026 1.00 22.12 H new ATOM 1090 N GLU A 72 -3.614 18.297 -16.451 1.00 54.34 N ATOM 1091 CA GLU A 72 -3.880 19.157 -15.304 1.00 44.42 C ATOM 1092 C GLU A 72 -2.809 20.237 -15.175 1.00 11.32 C ATOM 1093 O GLU A 72 -3.106 21.384 -14.839 1.00 30.14 O ATOM 1094 CB GLU A 72 -3.941 18.328 -14.020 1.00 24.11 C ATOM 1095 CG GLU A 72 -5.283 18.399 -13.312 1.00 55.25 C ATOM 1096 CD GLU A 72 -5.433 17.341 -12.237 1.00 74.42 C ATOM 1097 OE1 GLU A 72 -5.556 16.149 -12.590 1.00 4.11 O ATOM 1098 OE2 GLU A 72 -5.428 17.705 -11.042 1.00 71.45 O ATOM 0 H GLU A 72 -3.479 17.313 -16.219 1.00 54.34 H new ATOM 0 HA GLU A 72 -4.844 19.641 -15.461 1.00 44.42 H new ATOM 0 HB2 GLU A 72 -3.720 17.288 -14.259 1.00 24.11 H new ATOM 0 HB3 GLU A 72 -3.162 18.671 -13.339 1.00 24.11 H new ATOM 0 HG2 GLU A 72 -5.401 19.386 -12.864 1.00 55.25 H new ATOM 0 HG3 GLU A 72 -6.082 18.283 -14.044 1.00 55.25 H new ATOM 1105 N TYR A 73 -1.564 19.862 -15.443 1.00 45.14 N ATOM 1106 CA TYR A 73 -0.448 20.796 -15.354 1.00 42.54 C ATOM 1107 C TYR A 73 -0.487 21.802 -16.501 1.00 1.53 C ATOM 1108 O TYR A 73 -0.266 22.998 -16.301 1.00 75.14 O ATOM 1109 CB TYR A 73 0.881 20.039 -15.371 1.00 3.55 C ATOM 1110 CG TYR A 73 0.995 18.992 -14.286 1.00 74.33 C ATOM 1111 CD1 TYR A 73 0.531 19.242 -13.000 1.00 61.24 C ATOM 1112 CD2 TYR A 73 1.566 17.752 -14.547 1.00 52.42 C ATOM 1113 CE1 TYR A 73 0.633 18.288 -12.006 1.00 60.23 C ATOM 1114 CE2 TYR A 73 1.671 16.792 -13.560 1.00 15.12 C ATOM 1115 CZ TYR A 73 1.203 17.065 -12.291 1.00 70.51 C ATOM 1116 OH TYR A 73 1.307 16.111 -11.304 1.00 52.03 O ATOM 0 H TYR A 73 -1.302 18.917 -15.724 1.00 45.14 H new ATOM 0 HA TYR A 73 -0.537 21.340 -14.414 1.00 42.54 H new ATOM 0 HB2 TYR A 73 1.004 19.559 -16.342 1.00 3.55 H new ATOM 0 HB3 TYR A 73 1.698 20.753 -15.263 1.00 3.55 H new ATOM 0 HD1 TYR A 73 0.083 20.198 -12.774 1.00 61.24 H new ATOM 0 HD2 TYR A 73 1.934 17.536 -15.539 1.00 52.42 H new ATOM 0 HE1 TYR A 73 0.268 18.499 -11.011 1.00 60.23 H new ATOM 0 HE2 TYR A 73 2.117 15.833 -13.780 1.00 15.12 H new ATOM 0 HH TYR A 73 1.731 15.307 -11.670 1.00 52.03 H new ATOM 1126 N LEU A 74 -0.770 21.310 -17.702 1.00 4.04 N ATOM 1127 CA LEU A 74 -0.839 22.165 -18.882 1.00 31.50 C ATOM 1128 C LEU A 74 -2.012 23.135 -18.783 1.00 44.12 C ATOM 1129 O LEU A 74 -1.963 24.240 -19.323 1.00 64.12 O ATOM 1130 CB LEU A 74 -0.973 21.313 -20.145 1.00 65.44 C ATOM 1131 CG LEU A 74 0.238 21.302 -21.079 1.00 44.51 C ATOM 1132 CD1 LEU A 74 0.351 22.625 -21.821 1.00 42.12 C ATOM 1133 CD2 LEU A 74 1.512 21.017 -20.297 1.00 43.22 C ATOM 0 H LEU A 74 -0.955 20.324 -17.884 1.00 4.04 H new ATOM 0 HA LEU A 74 0.083 22.743 -18.937 1.00 31.50 H new ATOM 0 HB2 LEU A 74 -1.185 20.287 -19.846 1.00 65.44 H new ATOM 0 HB3 LEU A 74 -1.837 21.666 -20.707 1.00 65.44 H new ATOM 0 HG LEU A 74 0.100 20.508 -21.812 1.00 44.51 H new ATOM 0 HD11 LEU A 74 1.218 22.599 -22.481 1.00 42.12 H new ATOM 0 HD12 LEU A 74 -0.550 22.789 -22.412 1.00 42.12 H new ATOM 0 HD13 LEU A 74 0.466 23.437 -21.102 1.00 42.12 H new ATOM 0 HD21 LEU A 74 2.363 21.013 -20.978 1.00 43.22 H new ATOM 0 HD22 LEU A 74 1.655 21.789 -19.541 1.00 43.22 H new ATOM 0 HD23 LEU A 74 1.431 20.044 -19.811 1.00 43.22 H new ATOM 1145 N MET A 75 -3.064 22.715 -18.088 1.00 43.32 N ATOM 1146 CA MET A 75 -4.248 23.549 -17.916 1.00 5.42 C ATOM 1147 C MET A 75 -3.910 24.819 -17.141 1.00 2.03 C ATOM 1148 O MET A 75 -4.158 25.930 -17.611 1.00 21.43 O ATOM 1149 CB MET A 75 -5.345 22.770 -17.188 1.00 40.43 C ATOM 1150 CG MET A 75 -6.706 22.868 -17.858 1.00 42.33 C ATOM 1151 SD MET A 75 -7.729 21.412 -17.568 1.00 52.43 S ATOM 1152 CE MET A 75 -9.362 22.077 -17.887 1.00 4.12 C ATOM 0 H MET A 75 -3.121 21.803 -17.635 1.00 43.32 H new ATOM 0 HA MET A 75 -4.609 23.833 -18.905 1.00 5.42 H new ATOM 0 HB2 MET A 75 -5.054 21.721 -17.126 1.00 40.43 H new ATOM 0 HB3 MET A 75 -5.425 23.140 -16.166 1.00 40.43 H new ATOM 0 HG2 MET A 75 -7.226 23.752 -17.488 1.00 42.33 H new ATOM 0 HG3 MET A 75 -6.570 23.004 -18.931 1.00 42.33 H new ATOM 0 HE1 MET A 75 -10.107 21.294 -17.748 1.00 4.12 H new ATOM 0 HE2 MET A 75 -9.563 22.896 -17.196 1.00 4.12 H new ATOM 0 HE3 MET A 75 -9.411 22.447 -18.911 1.00 4.12 H new ATOM 1162 N PHE A 76 -3.343 24.648 -15.951 1.00 60.51 N ATOM 1163 CA PHE A 76 -2.973 25.780 -15.110 1.00 64.03 C ATOM 1164 C PHE A 76 -1.778 26.526 -15.698 1.00 53.11 C ATOM 1165 O PHE A 76 -1.591 27.717 -15.449 1.00 10.54 O ATOM 1166 CB PHE A 76 -2.644 25.305 -13.693 1.00 72.35 C ATOM 1167 CG PHE A 76 -3.824 25.331 -12.764 1.00 4.42 C ATOM 1168 CD1 PHE A 76 -5.095 25.033 -13.227 1.00 42.33 C ATOM 1169 CD2 PHE A 76 -3.661 25.655 -11.426 1.00 50.34 C ATOM 1170 CE1 PHE A 76 -6.182 25.057 -12.374 1.00 73.44 C ATOM 1171 CE2 PHE A 76 -4.745 25.680 -10.569 1.00 24.22 C ATOM 1172 CZ PHE A 76 -6.007 25.381 -11.044 1.00 1.34 C ATOM 0 H PHE A 76 -3.130 23.736 -15.548 1.00 60.51 H new ATOM 0 HA PHE A 76 -3.822 26.462 -15.069 1.00 64.03 H new ATOM 0 HB2 PHE A 76 -2.251 24.289 -13.741 1.00 72.35 H new ATOM 0 HB3 PHE A 76 -1.854 25.933 -13.282 1.00 72.35 H new ATOM 0 HD1 PHE A 76 -5.238 24.779 -14.267 1.00 42.33 H new ATOM 0 HD2 PHE A 76 -2.677 25.890 -11.049 1.00 50.34 H new ATOM 0 HE1 PHE A 76 -7.168 24.822 -12.748 1.00 73.44 H new ATOM 0 HE2 PHE A 76 -4.605 25.933 -9.528 1.00 24.22 H new ATOM 0 HZ PHE A 76 -6.855 25.401 -10.376 1.00 1.34 H new ATOM 1182 N THR A 77 -0.971 25.816 -16.481 1.00 13.23 N ATOM 1183 CA THR A 77 0.206 26.409 -17.103 1.00 33.11 C ATOM 1184 C THR A 77 -0.186 27.345 -18.241 1.00 31.33 C ATOM 1185 O THR A 77 0.293 28.476 -18.319 1.00 75.31 O ATOM 1186 CB THR A 77 1.158 25.327 -17.648 1.00 12.53 C ATOM 1187 OG1 THR A 77 1.923 24.764 -16.577 1.00 21.23 O ATOM 1188 CG2 THR A 77 2.095 25.909 -18.696 1.00 14.34 C ATOM 0 H THR A 77 -1.111 24.830 -16.699 1.00 13.23 H new ATOM 0 HA THR A 77 0.720 26.979 -16.329 1.00 33.11 H new ATOM 0 HB THR A 77 0.557 24.546 -18.114 1.00 12.53 H new ATOM 0 HG1 THR A 77 1.432 24.012 -16.185 1.00 21.23 H new ATOM 0 HG21 THR A 77 2.758 25.127 -19.066 1.00 14.34 H new ATOM 0 HG22 THR A 77 1.511 26.311 -19.523 1.00 14.34 H new ATOM 0 HG23 THR A 77 2.689 26.707 -18.250 1.00 14.34 H new ATOM 1196 N MET A 78 -1.060 26.866 -19.120 1.00 61.11 N ATOM 1197 CA MET A 78 -1.517 27.662 -20.253 1.00 73.02 C ATOM 1198 C MET A 78 -2.243 28.917 -19.778 1.00 71.24 C ATOM 1199 O MET A 78 -2.095 29.990 -20.363 1.00 54.10 O ATOM 1200 CB MET A 78 -2.441 26.832 -21.147 1.00 43.12 C ATOM 1201 CG MET A 78 -1.699 25.861 -22.052 1.00 13.23 C ATOM 1202 SD MET A 78 -1.479 26.500 -23.724 1.00 21.55 S ATOM 1203 CE MET A 78 -0.348 27.855 -23.422 1.00 1.21 C ATOM 0 H MET A 78 -1.466 25.931 -19.070 1.00 61.11 H new ATOM 0 HA MET A 78 -0.642 27.965 -20.828 1.00 73.02 H new ATOM 0 HB2 MET A 78 -3.135 26.273 -20.519 1.00 43.12 H new ATOM 0 HB3 MET A 78 -3.039 27.505 -21.762 1.00 43.12 H new ATOM 0 HG2 MET A 78 -0.723 25.641 -21.620 1.00 13.23 H new ATOM 0 HG3 MET A 78 -2.247 24.920 -22.096 1.00 13.23 H new ATOM 0 HE1 MET A 78 0.091 28.180 -24.365 1.00 1.21 H new ATOM 0 HE2 MET A 78 -0.888 28.686 -22.968 1.00 1.21 H new ATOM 0 HE3 MET A 78 0.443 27.525 -22.748 1.00 1.21 H new ATOM 1213 N VAL A 79 -3.028 28.775 -18.715 1.00 23.32 N ATOM 1214 CA VAL A 79 -3.776 29.897 -18.161 1.00 41.02 C ATOM 1215 C VAL A 79 -2.844 31.036 -17.764 1.00 1.21 C ATOM 1216 O VAL A 79 -2.986 32.164 -18.238 1.00 75.02 O ATOM 1217 CB VAL A 79 -4.600 29.470 -16.932 1.00 53.42 C ATOM 1218 CG1 VAL A 79 -5.002 30.686 -16.110 1.00 70.34 C ATOM 1219 CG2 VAL A 79 -5.826 28.678 -17.362 1.00 41.30 C ATOM 0 H VAL A 79 -3.162 27.893 -18.220 1.00 23.32 H new ATOM 0 HA VAL A 79 -4.454 30.242 -18.942 1.00 41.02 H new ATOM 0 HB VAL A 79 -3.981 28.827 -16.307 1.00 53.42 H new ATOM 0 HG11 VAL A 79 -5.584 30.365 -15.246 1.00 70.34 H new ATOM 0 HG12 VAL A 79 -4.107 31.208 -15.772 1.00 70.34 H new ATOM 0 HG13 VAL A 79 -5.604 31.357 -16.723 1.00 70.34 H new ATOM 0 HG21 VAL A 79 -6.397 28.384 -16.481 1.00 41.30 H new ATOM 0 HG22 VAL A 79 -6.449 29.295 -18.009 1.00 41.30 H new ATOM 0 HG23 VAL A 79 -5.511 27.786 -17.904 1.00 41.30 H new ATOM 1229 N LEU A 80 -1.889 30.735 -16.891 1.00 30.41 N ATOM 1230 CA LEU A 80 -0.931 31.734 -16.429 1.00 35.40 C ATOM 1231 C LEU A 80 -0.106 32.275 -17.592 1.00 11.33 C ATOM 1232 O LEU A 80 0.068 33.486 -17.732 1.00 63.22 O ATOM 1233 CB LEU A 80 -0.007 31.131 -15.370 1.00 11.05 C ATOM 1234 CG LEU A 80 0.011 31.838 -14.014 1.00 13.12 C ATOM 1235 CD1 LEU A 80 0.541 33.256 -14.158 1.00 65.12 C ATOM 1236 CD2 LEU A 80 -1.381 31.848 -13.399 1.00 74.21 C ATOM 0 H LEU A 80 -1.757 29.807 -16.489 1.00 30.41 H new ATOM 0 HA LEU A 80 -1.488 32.560 -15.988 1.00 35.40 H new ATOM 0 HB2 LEU A 80 -0.298 30.092 -15.212 1.00 11.05 H new ATOM 0 HB3 LEU A 80 1.009 31.121 -15.766 1.00 11.05 H new ATOM 0 HG LEU A 80 0.677 31.289 -13.349 1.00 13.12 H new ATOM 0 HD11 LEU A 80 0.546 33.743 -13.183 1.00 65.12 H new ATOM 0 HD12 LEU A 80 1.556 33.227 -14.555 1.00 65.12 H new ATOM 0 HD13 LEU A 80 -0.099 33.816 -14.840 1.00 65.12 H new ATOM 0 HD21 LEU A 80 -1.349 32.355 -12.435 1.00 74.21 H new ATOM 0 HD22 LEU A 80 -2.068 32.373 -14.062 1.00 74.21 H new ATOM 0 HD23 LEU A 80 -1.724 30.823 -13.259 1.00 74.21 H new ATOM 1248 N VAL A 81 0.399 31.371 -18.425 1.00 35.53 N ATOM 1249 CA VAL A 81 1.203 31.757 -19.578 1.00 12.34 C ATOM 1250 C VAL A 81 0.486 32.806 -20.421 1.00 2.24 C ATOM 1251 O VAL A 81 1.073 33.819 -20.804 1.00 22.14 O ATOM 1252 CB VAL A 81 1.535 30.542 -20.464 1.00 32.14 C ATOM 1253 CG1 VAL A 81 1.976 30.994 -21.847 1.00 41.12 C ATOM 1254 CG2 VAL A 81 2.605 29.682 -19.808 1.00 72.12 C ATOM 0 H VAL A 81 0.265 30.365 -18.323 1.00 35.53 H new ATOM 0 HA VAL A 81 2.131 32.178 -19.190 1.00 12.34 H new ATOM 0 HB VAL A 81 0.634 29.939 -20.576 1.00 32.14 H new ATOM 0 HG11 VAL A 81 2.206 30.122 -22.459 1.00 41.12 H new ATOM 0 HG12 VAL A 81 1.174 31.565 -22.316 1.00 41.12 H new ATOM 0 HG13 VAL A 81 2.864 31.620 -21.759 1.00 41.12 H new ATOM 0 HG21 VAL A 81 2.828 28.828 -20.447 1.00 72.12 H new ATOM 0 HG22 VAL A 81 3.509 30.273 -19.664 1.00 72.12 H new ATOM 0 HG23 VAL A 81 2.246 29.328 -18.842 1.00 72.12 H new ATOM 1264 N THR A 82 -0.788 32.558 -20.707 1.00 31.11 N ATOM 1265 CA THR A 82 -1.586 33.480 -21.505 1.00 41.02 C ATOM 1266 C THR A 82 -1.597 34.874 -20.888 1.00 63.11 C ATOM 1267 O THR A 82 -1.333 35.866 -21.567 1.00 41.51 O ATOM 1268 CB THR A 82 -3.037 32.985 -21.653 1.00 30.04 C ATOM 1269 OG1 THR A 82 -3.090 31.892 -22.576 1.00 32.32 O ATOM 1270 CG2 THR A 82 -3.945 34.106 -22.134 1.00 11.51 C ATOM 0 H THR A 82 -1.290 31.726 -20.398 1.00 31.11 H new ATOM 0 HA THR A 82 -1.123 33.526 -22.491 1.00 41.02 H new ATOM 0 HB THR A 82 -3.385 32.652 -20.675 1.00 30.04 H new ATOM 0 HG1 THR A 82 -2.818 31.067 -22.122 1.00 32.32 H new ATOM 0 HG21 THR A 82 -4.964 33.732 -22.231 1.00 11.51 H new ATOM 0 HG22 THR A 82 -3.925 34.924 -21.414 1.00 11.51 H new ATOM 0 HG23 THR A 82 -3.597 34.466 -23.102 1.00 11.51 H new ATOM 1278 N PHE A 83 -1.903 34.942 -19.597 1.00 22.23 N ATOM 1279 CA PHE A 83 -1.948 36.215 -18.888 1.00 12.33 C ATOM 1280 C PHE A 83 -0.567 36.863 -18.843 1.00 72.34 C ATOM 1281 O PHE A 83 -0.442 38.086 -18.887 1.00 2.51 O ATOM 1282 CB PHE A 83 -2.475 36.013 -17.465 1.00 62.14 C ATOM 1283 CG PHE A 83 -3.832 36.614 -17.238 1.00 13.14 C ATOM 1284 CD1 PHE A 83 -4.885 36.323 -18.090 1.00 34.23 C ATOM 1285 CD2 PHE A 83 -4.055 37.470 -16.171 1.00 53.01 C ATOM 1286 CE1 PHE A 83 -6.135 36.875 -17.883 1.00 11.44 C ATOM 1287 CE2 PHE A 83 -5.303 38.025 -15.959 1.00 12.32 C ATOM 1288 CZ PHE A 83 -6.345 37.727 -16.815 1.00 63.42 C ATOM 0 H PHE A 83 -2.124 34.130 -19.020 1.00 22.23 H new ATOM 0 HA PHE A 83 -2.624 36.878 -19.428 1.00 12.33 H new ATOM 0 HB2 PHE A 83 -2.519 34.945 -17.250 1.00 62.14 H new ATOM 0 HB3 PHE A 83 -1.770 36.451 -16.759 1.00 62.14 H new ATOM 0 HD1 PHE A 83 -4.727 35.657 -18.926 1.00 34.23 H new ATOM 0 HD2 PHE A 83 -3.244 37.706 -15.498 1.00 53.01 H new ATOM 0 HE1 PHE A 83 -6.947 36.641 -18.555 1.00 11.44 H new ATOM 0 HE2 PHE A 83 -5.463 38.691 -15.124 1.00 12.32 H new ATOM 0 HZ PHE A 83 -7.321 38.158 -16.650 1.00 63.42 H new ATOM 1298 N SER A 84 0.467 36.032 -18.756 1.00 73.01 N ATOM 1299 CA SER A 84 1.839 36.522 -18.701 1.00 51.42 C ATOM 1300 C SER A 84 2.213 37.236 -19.997 1.00 12.33 C ATOM 1301 O SER A 84 2.698 38.368 -19.977 1.00 31.03 O ATOM 1302 CB SER A 84 2.807 35.365 -18.446 1.00 14.43 C ATOM 1303 OG SER A 84 3.235 35.348 -17.095 1.00 45.12 O ATOM 0 H SER A 84 0.380 35.016 -18.722 1.00 73.01 H new ATOM 0 HA SER A 84 1.911 37.235 -17.879 1.00 51.42 H new ATOM 0 HB2 SER A 84 2.321 34.420 -18.689 1.00 14.43 H new ATOM 0 HB3 SER A 84 3.671 35.458 -19.104 1.00 14.43 H new ATOM 0 HG SER A 84 3.851 34.599 -16.957 1.00 45.12 H new ATOM 1309 N ILE A 85 1.984 36.567 -21.121 1.00 75.32 N ATOM 1310 CA ILE A 85 2.295 37.137 -22.426 1.00 72.41 C ATOM 1311 C ILE A 85 1.662 38.515 -22.589 1.00 63.52 C ATOM 1312 O ILE A 85 2.294 39.444 -23.093 1.00 33.24 O ATOM 1313 CB ILE A 85 1.812 36.224 -23.569 1.00 32.02 C ATOM 1314 CG1 ILE A 85 2.518 34.868 -23.501 1.00 14.12 C ATOM 1315 CG2 ILE A 85 2.056 36.887 -24.916 1.00 1.51 C ATOM 1316 CD1 ILE A 85 3.921 34.889 -24.065 1.00 21.55 C ATOM 0 H ILE A 85 1.584 35.629 -21.155 1.00 75.32 H new ATOM 0 HA ILE A 85 3.380 37.229 -22.480 1.00 72.41 H new ATOM 0 HB ILE A 85 0.740 36.061 -23.455 1.00 32.02 H new ATOM 0 HG12 ILE A 85 2.557 34.540 -22.462 1.00 14.12 H new ATOM 0 HG13 ILE A 85 1.927 34.132 -24.046 1.00 14.12 H new ATOM 0 HG21 ILE A 85 1.709 36.229 -25.713 1.00 1.51 H new ATOM 0 HG22 ILE A 85 1.512 37.830 -24.961 1.00 1.51 H new ATOM 0 HG23 ILE A 85 3.122 37.077 -25.040 1.00 1.51 H new ATOM 0 HD11 ILE A 85 4.361 33.895 -23.984 1.00 21.55 H new ATOM 0 HD12 ILE A 85 3.887 35.187 -25.113 1.00 21.55 H new ATOM 0 HD13 ILE A 85 4.528 35.601 -23.505 1.00 21.55 H new ATOM 1328 N VAL A 86 0.411 38.640 -22.158 1.00 41.13 N ATOM 1329 CA VAL A 86 -0.307 39.906 -22.254 1.00 21.55 C ATOM 1330 C VAL A 86 0.465 41.028 -21.569 1.00 51.23 C ATOM 1331 O VAL A 86 0.598 42.126 -22.111 1.00 55.11 O ATOM 1332 CB VAL A 86 -1.709 39.804 -21.624 1.00 72.14 C ATOM 1333 CG1 VAL A 86 -2.287 41.190 -21.380 1.00 63.31 C ATOM 1334 CG2 VAL A 86 -2.632 38.981 -22.511 1.00 10.40 C ATOM 0 H VAL A 86 -0.126 37.881 -21.739 1.00 41.13 H new ATOM 0 HA VAL A 86 -0.409 40.134 -23.315 1.00 21.55 H new ATOM 0 HB VAL A 86 -1.621 39.299 -20.662 1.00 72.14 H new ATOM 0 HG11 VAL A 86 -3.278 41.098 -20.935 1.00 63.31 H new ATOM 0 HG12 VAL A 86 -1.635 41.742 -20.703 1.00 63.31 H new ATOM 0 HG13 VAL A 86 -2.363 41.724 -22.327 1.00 63.31 H new ATOM 0 HG21 VAL A 86 -3.618 38.919 -22.051 1.00 10.40 H new ATOM 0 HG22 VAL A 86 -2.717 39.456 -23.488 1.00 10.40 H new ATOM 0 HG23 VAL A 86 -2.223 37.978 -22.630 1.00 10.40 H new ATOM 1344 N THR A 87 0.974 40.746 -20.374 1.00 41.00 N ATOM 1345 CA THR A 87 1.733 41.732 -19.614 1.00 73.44 C ATOM 1346 C THR A 87 3.111 41.955 -20.226 1.00 22.44 C ATOM 1347 O THR A 87 3.710 43.018 -20.060 1.00 75.42 O ATOM 1348 CB THR A 87 1.899 41.302 -18.145 1.00 32.34 C ATOM 1349 OG1 THR A 87 1.048 40.186 -17.861 1.00 74.45 O ATOM 1350 CG2 THR A 87 1.567 42.450 -17.204 1.00 41.40 C ATOM 0 H THR A 87 0.874 39.843 -19.911 1.00 41.00 H new ATOM 0 HA THR A 87 1.168 42.663 -19.650 1.00 73.44 H new ATOM 0 HB THR A 87 2.939 41.014 -17.990 1.00 32.34 H new ATOM 0 HG1 THR A 87 1.161 39.918 -16.925 1.00 74.45 H new ATOM 0 HG21 THR A 87 1.692 42.122 -16.172 1.00 41.40 H new ATOM 0 HG22 THR A 87 2.236 43.288 -17.402 1.00 41.40 H new ATOM 0 HG23 THR A 87 0.535 42.764 -17.363 1.00 41.40 H new ATOM 1358 N SER A 88 3.610 40.946 -20.933 1.00 70.02 N ATOM 1359 CA SER A 88 4.920 41.031 -21.567 1.00 44.32 C ATOM 1360 C SER A 88 4.925 42.091 -22.664 1.00 41.43 C ATOM 1361 O SER A 88 5.878 42.860 -22.797 1.00 73.22 O ATOM 1362 CB SER A 88 5.317 39.674 -22.152 1.00 11.32 C ATOM 1363 OG SER A 88 5.914 39.824 -23.428 1.00 71.33 O ATOM 0 H SER A 88 3.127 40.060 -21.081 1.00 70.02 H new ATOM 0 HA SER A 88 5.646 41.317 -20.806 1.00 44.32 H new ATOM 0 HB2 SER A 88 6.012 39.173 -21.478 1.00 11.32 H new ATOM 0 HB3 SER A 88 4.436 39.037 -22.232 1.00 11.32 H new ATOM 0 HG SER A 88 6.160 38.943 -23.780 1.00 71.33 H new ATOM 1369 N VAL A 89 3.853 42.127 -23.449 1.00 72.41 N ATOM 1370 CA VAL A 89 3.731 43.092 -24.535 1.00 2.33 C ATOM 1371 C VAL A 89 3.494 44.498 -23.995 1.00 53.43 C ATOM 1372 O VAL A 89 4.056 45.471 -24.500 1.00 53.12 O ATOM 1373 CB VAL A 89 2.582 42.720 -25.491 1.00 5.31 C ATOM 1374 CG1 VAL A 89 2.223 43.902 -26.379 1.00 70.41 C ATOM 1375 CG2 VAL A 89 2.959 41.508 -26.329 1.00 31.22 C ATOM 0 H VAL A 89 3.056 41.498 -23.353 1.00 72.41 H new ATOM 0 HA VAL A 89 4.672 43.070 -25.085 1.00 2.33 H new ATOM 0 HB VAL A 89 1.705 42.464 -24.896 1.00 5.31 H new ATOM 0 HG11 VAL A 89 1.410 43.621 -27.048 1.00 70.41 H new ATOM 0 HG12 VAL A 89 1.909 44.741 -25.758 1.00 70.41 H new ATOM 0 HG13 VAL A 89 3.093 44.192 -26.968 1.00 70.41 H new ATOM 0 HG21 VAL A 89 2.136 41.259 -26.999 1.00 31.22 H new ATOM 0 HG22 VAL A 89 3.849 41.734 -26.916 1.00 31.22 H new ATOM 0 HG23 VAL A 89 3.162 40.661 -25.673 1.00 31.22 H new ATOM 1385 N CYS A 90 2.659 44.598 -22.967 1.00 55.22 N ATOM 1386 CA CYS A 90 2.346 45.886 -22.358 1.00 52.35 C ATOM 1387 C CYS A 90 3.612 46.573 -21.859 1.00 5.25 C ATOM 1388 O CYS A 90 3.730 47.798 -21.912 1.00 71.41 O ATOM 1389 CB CYS A 90 1.361 45.702 -21.203 1.00 10.10 C ATOM 1390 SG CYS A 90 1.194 47.153 -20.137 1.00 55.23 S ATOM 0 H CYS A 90 2.186 43.803 -22.538 1.00 55.22 H new ATOM 0 HA CYS A 90 1.888 46.518 -23.119 1.00 52.35 H new ATOM 0 HB2 CYS A 90 0.382 45.450 -21.611 1.00 10.10 H new ATOM 0 HB3 CYS A 90 1.682 44.855 -20.597 1.00 10.10 H new ATOM 0 HG CYS A 90 2.000 48.087 -20.546 1.00 55.23 H new ATOM 1396 N VAL A 91 4.558 45.777 -21.371 1.00 23.33 N ATOM 1397 CA VAL A 91 5.817 46.308 -20.860 1.00 74.42 C ATOM 1398 C VAL A 91 6.719 46.773 -21.998 1.00 33.42 C ATOM 1399 O VAL A 91 7.345 47.830 -21.916 1.00 1.03 O ATOM 1400 CB VAL A 91 6.568 45.259 -20.019 1.00 64.34 C ATOM 1401 CG1 VAL A 91 7.889 45.823 -19.517 1.00 54.13 C ATOM 1402 CG2 VAL A 91 5.705 44.788 -18.859 1.00 14.00 C ATOM 0 H VAL A 91 4.477 44.762 -21.319 1.00 23.33 H new ATOM 0 HA VAL A 91 5.568 47.160 -20.227 1.00 74.42 H new ATOM 0 HB VAL A 91 6.785 44.399 -20.653 1.00 64.34 H new ATOM 0 HG11 VAL A 91 8.406 45.068 -18.925 1.00 54.13 H new ATOM 0 HG12 VAL A 91 8.510 46.105 -20.367 1.00 54.13 H new ATOM 0 HG13 VAL A 91 7.699 46.701 -18.899 1.00 54.13 H new ATOM 0 HG21 VAL A 91 6.252 44.047 -18.276 1.00 14.00 H new ATOM 0 HG22 VAL A 91 5.455 45.637 -18.223 1.00 14.00 H new ATOM 0 HG23 VAL A 91 4.789 44.341 -19.245 1.00 14.00 H new ATOM 1412 N LEU A 92 6.780 45.977 -23.059 1.00 64.45 N ATOM 1413 CA LEU A 92 7.606 46.306 -24.216 1.00 51.41 C ATOM 1414 C LEU A 92 7.069 47.540 -24.934 1.00 53.15 C ATOM 1415 O LEU A 92 7.749 48.561 -25.029 1.00 32.23 O ATOM 1416 CB LEU A 92 7.660 45.122 -25.183 1.00 41.41 C ATOM 1417 CG LEU A 92 9.028 44.463 -25.361 1.00 44.53 C ATOM 1418 CD1 LEU A 92 8.911 43.212 -26.217 1.00 52.14 C ATOM 1419 CD2 LEU A 92 10.016 45.443 -25.978 1.00 52.34 C ATOM 0 H LEU A 92 6.268 45.099 -23.143 1.00 64.45 H new ATOM 0 HA LEU A 92 8.614 46.523 -23.862 1.00 51.41 H new ATOM 0 HB2 LEU A 92 6.956 44.365 -24.838 1.00 41.41 H new ATOM 0 HB3 LEU A 92 7.312 45.460 -26.159 1.00 41.41 H new ATOM 0 HG LEU A 92 9.400 44.172 -24.379 1.00 44.53 H new ATOM 0 HD11 LEU A 92 9.895 42.757 -26.333 1.00 52.14 H new ATOM 0 HD12 LEU A 92 8.238 42.503 -25.735 1.00 52.14 H new ATOM 0 HD13 LEU A 92 8.517 43.478 -27.198 1.00 52.14 H new ATOM 0 HD21 LEU A 92 10.984 44.957 -26.097 1.00 52.34 H new ATOM 0 HD22 LEU A 92 9.649 45.765 -26.953 1.00 52.34 H new ATOM 0 HD23 LEU A 92 10.123 46.310 -25.326 1.00 52.34 H new ATOM 1632 N GLY A 108 1.174 50.102 -8.965 1.00 44.51 N ATOM 1633 CA GLY A 108 1.434 48.978 -8.085 1.00 2.31 C ATOM 1634 C GLY A 108 0.859 47.681 -8.616 1.00 75.34 C ATOM 1635 O GLY A 108 1.001 46.629 -7.992 1.00 12.13 O ATOM 0 HA2 GLY A 108 2.510 48.867 -7.951 1.00 2.31 H new ATOM 0 HA3 GLY A 108 1.010 49.184 -7.102 1.00 2.31 H new ATOM 1639 N ILE A 109 0.206 47.754 -9.771 1.00 53.14 N ATOM 1640 CA ILE A 109 -0.394 46.576 -10.386 1.00 23.04 C ATOM 1641 C ILE A 109 0.613 45.435 -10.485 1.00 2.12 C ATOM 1642 O ILE A 109 0.260 44.266 -10.329 1.00 53.22 O ATOM 1643 CB ILE A 109 -0.938 46.889 -11.792 1.00 44.50 C ATOM 1644 CG1 ILE A 109 -1.289 45.594 -12.527 1.00 44.42 C ATOM 1645 CG2 ILE A 109 0.079 47.696 -12.585 1.00 43.44 C ATOM 1646 CD1 ILE A 109 -0.194 45.108 -13.450 1.00 64.34 C ATOM 0 H ILE A 109 0.079 48.617 -10.300 1.00 53.14 H new ATOM 0 HA ILE A 109 -1.222 46.273 -9.745 1.00 23.04 H new ATOM 0 HB ILE A 109 -1.846 47.484 -11.691 1.00 44.50 H new ATOM 0 HG12 ILE A 109 -1.507 44.817 -11.794 1.00 44.42 H new ATOM 0 HG13 ILE A 109 -2.199 45.750 -13.106 1.00 44.42 H new ATOM 0 HG21 ILE A 109 -0.320 47.910 -13.577 1.00 43.44 H new ATOM 0 HG22 ILE A 109 0.284 48.633 -12.067 1.00 43.44 H new ATOM 0 HG23 ILE A 109 1.002 47.125 -12.680 1.00 43.44 H new ATOM 0 HD11 ILE A 109 -0.511 44.186 -13.937 1.00 64.34 H new ATOM 0 HD12 ILE A 109 0.008 45.867 -14.206 1.00 64.34 H new ATOM 0 HD13 ILE A 109 0.711 44.920 -12.873 1.00 64.34 H new ATOM 1658 N ASP A 110 1.869 45.783 -10.743 1.00 61.20 N ATOM 1659 CA ASP A 110 2.929 44.788 -10.860 1.00 41.21 C ATOM 1660 C ASP A 110 2.980 43.899 -9.621 1.00 55.44 C ATOM 1661 O ASP A 110 2.818 42.682 -9.712 1.00 3.22 O ATOM 1662 CB ASP A 110 4.281 45.474 -11.066 1.00 54.03 C ATOM 1663 CG ASP A 110 4.502 45.896 -12.506 1.00 24.54 C ATOM 1664 OD1 ASP A 110 3.914 45.262 -13.406 1.00 62.33 O ATOM 1665 OD2 ASP A 110 5.265 46.859 -12.731 1.00 72.34 O ATOM 0 H ASP A 110 2.178 46.746 -10.875 1.00 61.20 H new ATOM 0 HA ASP A 110 2.712 44.162 -11.725 1.00 41.21 H new ATOM 0 HB2 ASP A 110 4.343 46.350 -10.420 1.00 54.03 H new ATOM 0 HB3 ASP A 110 5.079 44.797 -10.762 1.00 54.03 H new ATOM 1670 N ARG A 111 3.205 44.516 -8.466 1.00 23.32 N ATOM 1671 CA ARG A 111 3.279 43.780 -7.209 1.00 44.22 C ATOM 1672 C ARG A 111 1.973 43.041 -6.934 1.00 0.31 C ATOM 1673 O ARG A 111 1.952 42.042 -6.214 1.00 63.22 O ATOM 1674 CB ARG A 111 3.592 44.733 -6.054 1.00 23.32 C ATOM 1675 CG ARG A 111 5.079 44.890 -5.780 1.00 10.03 C ATOM 1676 CD ARG A 111 5.473 46.355 -5.668 1.00 32.55 C ATOM 1677 NE ARG A 111 5.433 47.033 -6.960 1.00 60.44 N ATOM 1678 CZ ARG A 111 6.386 46.920 -7.879 1.00 71.10 C ATOM 1679 NH1 ARG A 111 7.447 46.159 -7.648 1.00 43.52 N ATOM 1680 NH2 ARG A 111 6.278 47.568 -9.032 1.00 10.23 N ATOM 0 H ARG A 111 3.339 45.523 -8.374 1.00 23.32 H new ATOM 0 HA ARG A 111 4.080 43.046 -7.293 1.00 44.22 H new ATOM 0 HB2 ARG A 111 3.167 45.712 -6.276 1.00 23.32 H new ATOM 0 HB3 ARG A 111 3.101 44.370 -5.151 1.00 23.32 H new ATOM 0 HG2 ARG A 111 5.337 44.371 -4.857 1.00 10.03 H new ATOM 0 HG3 ARG A 111 5.649 44.419 -6.580 1.00 10.03 H new ATOM 0 HD2 ARG A 111 4.801 46.859 -4.973 1.00 32.55 H new ATOM 0 HD3 ARG A 111 6.477 46.429 -5.251 1.00 32.55 H new ATOM 0 HE ARG A 111 4.630 47.626 -7.169 1.00 60.44 H new ATOM 0 HH11 ARG A 111 7.533 45.659 -6.763 1.00 43.52 H new ATOM 0 HH12 ARG A 111 8.177 46.074 -8.355 1.00 43.52 H new ATOM 0 HH21 ARG A 111 5.463 48.154 -9.213 1.00 10.23 H new ATOM 0 HH22 ARG A 111 7.010 47.481 -9.737 1.00 10.23 H new ATOM 1694 N LEU A 112 0.885 43.539 -7.510 1.00 51.55 N ATOM 1695 CA LEU A 112 -0.427 42.927 -7.327 1.00 45.24 C ATOM 1696 C LEU A 112 -0.489 41.562 -8.005 1.00 33.24 C ATOM 1697 O LEU A 112 -0.715 40.543 -7.351 1.00 72.03 O ATOM 1698 CB LEU A 112 -1.519 43.838 -7.889 1.00 15.32 C ATOM 1699 CG LEU A 112 -2.562 44.333 -6.886 1.00 31.35 C ATOM 1700 CD1 LEU A 112 -2.141 45.669 -6.293 1.00 33.40 C ATOM 1701 CD2 LEU A 112 -3.927 44.447 -7.548 1.00 13.21 C ATOM 0 H LEU A 112 0.885 44.365 -8.108 1.00 51.55 H new ATOM 0 HA LEU A 112 -0.592 42.790 -6.258 1.00 45.24 H new ATOM 0 HB2 LEU A 112 -1.042 44.706 -8.344 1.00 15.32 H new ATOM 0 HB3 LEU A 112 -2.036 43.303 -8.686 1.00 15.32 H new ATOM 0 HG LEU A 112 -2.633 43.606 -6.077 1.00 31.35 H new ATOM 0 HD11 LEU A 112 -2.895 46.005 -5.582 1.00 33.40 H new ATOM 0 HD12 LEU A 112 -1.185 45.555 -5.782 1.00 33.40 H new ATOM 0 HD13 LEU A 112 -2.040 46.405 -7.090 1.00 33.40 H new ATOM 0 HD21 LEU A 112 -4.656 44.801 -6.819 1.00 13.21 H new ATOM 0 HD22 LEU A 112 -3.871 45.152 -8.377 1.00 13.21 H new ATOM 0 HD23 LEU A 112 -4.233 43.470 -7.922 1.00 13.21 H new ATOM 1713 N PHE A 113 -0.286 41.548 -9.318 1.00 2.53 N ATOM 1714 CA PHE A 113 -0.318 40.308 -10.084 1.00 0.03 C ATOM 1715 C PHE A 113 0.723 39.321 -9.564 1.00 32.41 C ATOM 1716 O PHE A 113 0.542 38.106 -9.654 1.00 31.54 O ATOM 1717 CB PHE A 113 -0.071 40.593 -11.567 1.00 31.04 C ATOM 1718 CG PHE A 113 0.420 39.398 -12.333 1.00 53.11 C ATOM 1719 CD1 PHE A 113 -0.379 38.275 -12.478 1.00 12.34 C ATOM 1720 CD2 PHE A 113 1.680 39.398 -12.909 1.00 73.14 C ATOM 1721 CE1 PHE A 113 0.070 37.174 -13.182 1.00 4.34 C ATOM 1722 CE2 PHE A 113 2.135 38.300 -13.615 1.00 74.11 C ATOM 1723 CZ PHE A 113 1.328 37.187 -13.752 1.00 43.01 C ATOM 0 H PHE A 113 -0.097 42.382 -9.874 1.00 2.53 H new ATOM 0 HA PHE A 113 -1.306 39.863 -9.967 1.00 0.03 H new ATOM 0 HB2 PHE A 113 -0.996 40.949 -12.019 1.00 31.04 H new ATOM 0 HB3 PHE A 113 0.659 41.398 -11.658 1.00 31.04 H new ATOM 0 HD1 PHE A 113 -1.364 38.260 -12.036 1.00 12.34 H new ATOM 0 HD2 PHE A 113 2.314 40.266 -12.805 1.00 73.14 H new ATOM 0 HE1 PHE A 113 -0.562 36.304 -13.286 1.00 4.34 H new ATOM 0 HE2 PHE A 113 3.120 38.312 -14.059 1.00 74.11 H new ATOM 0 HZ PHE A 113 1.680 36.328 -14.304 1.00 43.01 H new ATOM 1733 N LEU A 114 1.813 39.851 -9.021 1.00 31.03 N ATOM 1734 CA LEU A 114 2.884 39.018 -8.486 1.00 64.42 C ATOM 1735 C LEU A 114 2.432 38.293 -7.222 1.00 40.43 C ATOM 1736 O LEU A 114 2.579 37.077 -7.106 1.00 75.33 O ATOM 1737 CB LEU A 114 4.118 39.870 -8.185 1.00 64.14 C ATOM 1738 CG LEU A 114 5.274 39.753 -9.180 1.00 54.13 C ATOM 1739 CD1 LEU A 114 5.859 38.350 -9.157 1.00 34.54 C ATOM 1740 CD2 LEU A 114 4.808 40.115 -10.583 1.00 41.21 C ATOM 0 H LEU A 114 1.979 40.854 -8.940 1.00 31.03 H new ATOM 0 HA LEU A 114 3.140 38.272 -9.238 1.00 64.42 H new ATOM 0 HB2 LEU A 114 3.811 40.915 -8.137 1.00 64.14 H new ATOM 0 HB3 LEU A 114 4.488 39.601 -7.196 1.00 64.14 H new ATOM 0 HG LEU A 114 6.054 40.454 -8.885 1.00 54.13 H new ATOM 0 HD11 LEU A 114 6.680 38.286 -9.871 1.00 34.54 H new ATOM 0 HD12 LEU A 114 6.230 38.127 -8.157 1.00 34.54 H new ATOM 0 HD13 LEU A 114 5.087 37.629 -9.427 1.00 34.54 H new ATOM 0 HD21 LEU A 114 5.643 40.026 -11.278 1.00 41.21 H new ATOM 0 HD22 LEU A 114 4.009 39.438 -10.887 1.00 41.21 H new ATOM 0 HD23 LEU A 114 4.437 41.140 -10.590 1.00 41.21 H new ATOM 1752 N TRP A 115 1.881 39.049 -6.279 1.00 75.25 N ATOM 1753 CA TRP A 115 1.404 38.478 -5.025 1.00 3.25 C ATOM 1754 C TRP A 115 0.448 37.319 -5.282 1.00 22.31 C ATOM 1755 O TRP A 115 0.685 36.196 -4.833 1.00 54.55 O ATOM 1756 CB TRP A 115 0.710 39.551 -4.184 1.00 21.23 C ATOM 1757 CG TRP A 115 0.148 39.026 -2.897 1.00 64.21 C ATOM 1758 CD1 TRP A 115 -1.156 39.070 -2.494 1.00 24.42 C ATOM 1759 CD2 TRP A 115 0.874 38.380 -1.845 1.00 44.24 C ATOM 1760 NE1 TRP A 115 -1.284 38.490 -1.255 1.00 30.15 N ATOM 1761 CE2 TRP A 115 -0.053 38.058 -0.836 1.00 14.35 C ATOM 1762 CE3 TRP A 115 2.217 38.041 -1.659 1.00 61.34 C ATOM 1763 CZ2 TRP A 115 0.321 37.415 0.341 1.00 10.33 C ATOM 1764 CZ3 TRP A 115 2.587 37.403 -0.491 1.00 21.13 C ATOM 1765 CH2 TRP A 115 1.642 37.095 0.497 1.00 22.21 C ATOM 0 H TRP A 115 1.754 40.058 -6.359 1.00 75.25 H new ATOM 0 HA TRP A 115 2.266 38.098 -4.477 1.00 3.25 H new ATOM 0 HB2 TRP A 115 1.422 40.346 -3.964 1.00 21.23 H new ATOM 0 HB3 TRP A 115 -0.095 39.997 -4.769 1.00 21.23 H new ATOM 0 HD1 TRP A 115 -1.967 39.498 -3.065 1.00 24.42 H new ATOM 0 HE1 TRP A 115 -2.155 38.396 -0.732 1.00 30.15 H new ATOM 0 HE3 TRP A 115 2.952 38.274 -2.415 1.00 61.34 H new ATOM 0 HZ2 TRP A 115 -0.406 37.177 1.104 1.00 10.33 H new ATOM 0 HZ3 TRP A 115 3.622 37.137 -0.337 1.00 21.13 H new ATOM 0 HH2 TRP A 115 1.963 36.595 1.399 1.00 22.21 H new ATOM 1776 N ILE A 116 -0.631 37.597 -6.006 1.00 23.42 N ATOM 1777 CA ILE A 116 -1.621 36.575 -6.323 1.00 50.31 C ATOM 1778 C ILE A 116 -0.986 35.408 -7.071 1.00 33.42 C ATOM 1779 O ILE A 116 -1.482 34.282 -7.021 1.00 71.34 O ATOM 1780 CB ILE A 116 -2.770 37.150 -7.172 1.00 73.12 C ATOM 1781 CG1 ILE A 116 -2.254 37.573 -8.549 1.00 72.31 C ATOM 1782 CG2 ILE A 116 -3.418 38.327 -6.459 1.00 12.30 C ATOM 1783 CD1 ILE A 116 -3.328 38.147 -9.447 1.00 21.42 C ATOM 0 H ILE A 116 -0.842 38.521 -6.384 1.00 23.42 H new ATOM 0 HA ILE A 116 -2.023 36.219 -5.374 1.00 50.31 H new ATOM 0 HB ILE A 116 -3.523 36.374 -7.310 1.00 73.12 H new ATOM 0 HG12 ILE A 116 -1.465 38.314 -8.420 1.00 72.31 H new ATOM 0 HG13 ILE A 116 -1.804 36.710 -9.040 1.00 72.31 H new ATOM 0 HG21 ILE A 116 -4.228 38.722 -7.072 1.00 12.30 H new ATOM 0 HG22 ILE A 116 -3.816 37.997 -5.500 1.00 12.30 H new ATOM 0 HG23 ILE A 116 -2.674 39.107 -6.294 1.00 12.30 H new ATOM 0 HD11 ILE A 116 -2.890 38.425 -10.406 1.00 21.42 H new ATOM 0 HD12 ILE A 116 -4.106 37.401 -9.606 1.00 21.42 H new ATOM 0 HD13 ILE A 116 -3.762 39.029 -8.977 1.00 21.42 H new ATOM 1795 N PHE A 117 0.115 35.683 -7.762 1.00 12.11 N ATOM 1796 CA PHE A 117 0.819 34.655 -8.520 1.00 10.33 C ATOM 1797 C PHE A 117 1.665 33.783 -7.597 1.00 43.10 C ATOM 1798 O PHE A 117 1.853 32.593 -7.849 1.00 32.32 O ATOM 1799 CB PHE A 117 1.706 35.297 -9.588 1.00 51.44 C ATOM 1800 CG PHE A 117 2.444 34.299 -10.434 1.00 3.14 C ATOM 1801 CD1 PHE A 117 1.850 33.100 -10.791 1.00 72.12 C ATOM 1802 CD2 PHE A 117 3.733 34.560 -10.870 1.00 23.11 C ATOM 1803 CE1 PHE A 117 2.526 32.179 -11.569 1.00 44.22 C ATOM 1804 CE2 PHE A 117 4.415 33.643 -11.648 1.00 54.43 C ATOM 1805 CZ PHE A 117 3.811 32.451 -11.997 1.00 51.14 C ATOM 0 H PHE A 117 0.539 36.609 -7.813 1.00 12.11 H new ATOM 0 HA PHE A 117 0.075 34.024 -9.007 1.00 10.33 H new ATOM 0 HB2 PHE A 117 1.089 35.923 -10.233 1.00 51.44 H new ATOM 0 HB3 PHE A 117 2.428 35.954 -9.103 1.00 51.44 H new ATOM 0 HD1 PHE A 117 0.846 32.882 -10.457 1.00 72.12 H new ATOM 0 HD2 PHE A 117 4.210 35.490 -10.599 1.00 23.11 H new ATOM 0 HE1 PHE A 117 2.050 31.248 -11.842 1.00 44.22 H new ATOM 0 HE2 PHE A 117 5.419 33.859 -11.983 1.00 54.43 H new ATOM 0 HZ PHE A 117 4.342 31.733 -12.604 1.00 51.14 H new ATOM 1815 N VAL A 118 2.175 34.385 -6.527 1.00 20.11 N ATOM 1816 CA VAL A 118 3.001 33.664 -5.566 1.00 3.54 C ATOM 1817 C VAL A 118 2.159 32.716 -4.719 1.00 44.50 C ATOM 1818 O VAL A 118 2.635 31.669 -4.282 1.00 24.43 O ATOM 1819 CB VAL A 118 3.755 34.634 -4.636 1.00 32.24 C ATOM 1820 CG1 VAL A 118 4.607 33.863 -3.639 1.00 2.42 C ATOM 1821 CG2 VAL A 118 4.608 35.596 -5.448 1.00 64.31 C ATOM 0 H VAL A 118 2.031 35.370 -6.304 1.00 20.11 H new ATOM 0 HA VAL A 118 3.725 33.086 -6.141 1.00 3.54 H new ATOM 0 HB VAL A 118 3.023 35.218 -4.077 1.00 32.24 H new ATOM 0 HG11 VAL A 118 5.132 34.564 -2.990 1.00 2.42 H new ATOM 0 HG12 VAL A 118 3.967 33.219 -3.035 1.00 2.42 H new ATOM 0 HG13 VAL A 118 5.333 33.252 -4.176 1.00 2.42 H new ATOM 0 HG21 VAL A 118 5.133 36.274 -4.775 1.00 64.31 H new ATOM 0 HG22 VAL A 118 5.334 35.033 -6.035 1.00 64.31 H new ATOM 0 HG23 VAL A 118 3.969 36.172 -6.117 1.00 64.31 H new ATOM 1831 N PHE A 119 0.905 33.091 -4.492 1.00 32.03 N ATOM 1832 CA PHE A 119 -0.005 32.274 -3.697 1.00 3.24 C ATOM 1833 C PHE A 119 -0.429 31.027 -4.466 1.00 71.31 C ATOM 1834 O PHE A 119 -0.283 29.905 -3.981 1.00 62.42 O ATOM 1835 CB PHE A 119 -1.239 33.087 -3.300 1.00 21.34 C ATOM 1836 CG PHE A 119 -2.205 32.326 -2.437 1.00 54.23 C ATOM 1837 CD1 PHE A 119 -3.213 31.565 -3.008 1.00 3.11 C ATOM 1838 CD2 PHE A 119 -2.107 32.373 -1.056 1.00 22.10 C ATOM 1839 CE1 PHE A 119 -4.104 30.864 -2.217 1.00 64.33 C ATOM 1840 CE2 PHE A 119 -2.994 31.673 -0.260 1.00 53.44 C ATOM 1841 CZ PHE A 119 -3.995 30.919 -0.842 1.00 23.14 C ATOM 0 H PHE A 119 0.495 33.955 -4.847 1.00 32.03 H new ATOM 0 HA PHE A 119 0.521 31.961 -2.795 1.00 3.24 H new ATOM 0 HB2 PHE A 119 -0.918 33.984 -2.770 1.00 21.34 H new ATOM 0 HB3 PHE A 119 -1.753 33.417 -4.203 1.00 21.34 H new ATOM 0 HD1 PHE A 119 -3.303 31.519 -4.083 1.00 3.11 H new ATOM 0 HD2 PHE A 119 -1.328 32.963 -0.596 1.00 22.10 H new ATOM 0 HE1 PHE A 119 -4.884 30.274 -2.674 1.00 64.33 H new ATOM 0 HE2 PHE A 119 -2.905 31.715 0.815 1.00 53.44 H new ATOM 0 HZ PHE A 119 -4.691 30.374 -0.222 1.00 23.14 H new ATOM 1851 N VAL A 120 -0.956 31.231 -5.669 1.00 54.50 N ATOM 1852 CA VAL A 120 -1.402 30.125 -6.507 1.00 31.41 C ATOM 1853 C VAL A 120 -0.282 29.114 -6.724 1.00 24.22 C ATOM 1854 O VAL A 120 -0.531 27.916 -6.864 1.00 20.25 O ATOM 1855 CB VAL A 120 -1.901 30.623 -7.876 1.00 74.11 C ATOM 1856 CG1 VAL A 120 -0.845 31.487 -8.548 1.00 10.03 C ATOM 1857 CG2 VAL A 120 -2.283 29.448 -8.763 1.00 75.33 C ATOM 0 H VAL A 120 -1.085 32.153 -6.085 1.00 54.50 H new ATOM 0 HA VAL A 120 -2.227 29.643 -5.982 1.00 31.41 H new ATOM 0 HB VAL A 120 -2.790 31.234 -7.719 1.00 74.11 H new ATOM 0 HG11 VAL A 120 -1.216 31.829 -9.514 1.00 10.03 H new ATOM 0 HG12 VAL A 120 -0.625 32.349 -7.918 1.00 10.03 H new ATOM 0 HG13 VAL A 120 0.064 30.903 -8.695 1.00 10.03 H new ATOM 0 HG21 VAL A 120 -2.633 29.818 -9.726 1.00 75.33 H new ATOM 0 HG22 VAL A 120 -1.413 28.809 -8.914 1.00 75.33 H new ATOM 0 HG23 VAL A 120 -3.076 28.874 -8.285 1.00 75.33 H new ATOM 1867 N CYS A 121 0.953 29.604 -6.750 1.00 54.05 N ATOM 1868 CA CYS A 121 2.113 28.743 -6.951 1.00 0.20 C ATOM 1869 C CYS A 121 2.398 27.915 -5.702 1.00 74.24 C ATOM 1870 O CYS A 121 2.843 26.770 -5.792 1.00 12.52 O ATOM 1871 CB CYS A 121 3.340 29.582 -7.312 1.00 31.11 C ATOM 1872 SG CYS A 121 4.917 28.784 -6.931 1.00 43.32 S ATOM 0 H CYS A 121 1.176 30.592 -6.634 1.00 54.05 H new ATOM 0 HA CYS A 121 1.892 28.063 -7.773 1.00 0.20 H new ATOM 0 HB2 CYS A 121 3.309 29.812 -8.377 1.00 31.11 H new ATOM 0 HB3 CYS A 121 3.287 30.531 -6.779 1.00 31.11 H new ATOM 0 HG CYS A 121 5.883 29.642 -7.073 1.00 43.32 H new ATOM 1878 N VAL A 122 2.139 28.501 -4.538 1.00 2.22 N ATOM 1879 CA VAL A 122 2.368 27.818 -3.270 1.00 61.13 C ATOM 1880 C VAL A 122 1.378 26.675 -3.076 1.00 23.24 C ATOM 1881 O VAL A 122 1.761 25.564 -2.707 1.00 13.23 O ATOM 1882 CB VAL A 122 2.254 28.789 -2.080 1.00 43.34 C ATOM 1883 CG1 VAL A 122 2.123 28.021 -0.774 1.00 65.12 C ATOM 1884 CG2 VAL A 122 3.453 29.725 -2.040 1.00 61.14 C ATOM 0 H VAL A 122 1.770 29.448 -4.446 1.00 2.22 H new ATOM 0 HA VAL A 122 3.381 27.416 -3.305 1.00 61.13 H new ATOM 0 HB VAL A 122 1.355 29.392 -2.210 1.00 43.34 H new ATOM 0 HG11 VAL A 122 2.044 28.724 0.055 1.00 65.12 H new ATOM 0 HG12 VAL A 122 1.230 27.397 -0.807 1.00 65.12 H new ATOM 0 HG13 VAL A 122 3.001 27.391 -0.633 1.00 65.12 H new ATOM 0 HG21 VAL A 122 3.356 30.404 -1.193 1.00 61.14 H new ATOM 0 HG22 VAL A 122 4.367 29.141 -1.934 1.00 61.14 H new ATOM 0 HG23 VAL A 122 3.496 30.301 -2.964 1.00 61.14 H new ATOM 1894 N PHE A 123 0.104 26.954 -3.326 1.00 55.24 N ATOM 1895 CA PHE A 123 -0.943 25.949 -3.178 1.00 43.23 C ATOM 1896 C PHE A 123 -0.901 24.947 -4.328 1.00 24.21 C ATOM 1897 O PHE A 123 -1.060 23.744 -4.124 1.00 15.24 O ATOM 1898 CB PHE A 123 -2.318 26.618 -3.120 1.00 45.44 C ATOM 1899 CG PHE A 123 -3.454 25.644 -3.005 1.00 33.40 C ATOM 1900 CD1 PHE A 123 -3.439 24.652 -2.037 1.00 44.12 C ATOM 1901 CD2 PHE A 123 -4.539 25.719 -3.864 1.00 21.01 C ATOM 1902 CE1 PHE A 123 -4.483 23.753 -1.930 1.00 0.45 C ATOM 1903 CE2 PHE A 123 -5.587 24.823 -3.761 1.00 4.23 C ATOM 1904 CZ PHE A 123 -5.559 23.840 -2.791 1.00 61.24 C ATOM 0 H PHE A 123 -0.229 27.868 -3.632 1.00 55.24 H new ATOM 0 HA PHE A 123 -0.768 25.413 -2.245 1.00 43.23 H new ATOM 0 HB2 PHE A 123 -2.346 27.299 -2.269 1.00 45.44 H new ATOM 0 HB3 PHE A 123 -2.457 27.222 -4.017 1.00 45.44 H new ATOM 0 HD1 PHE A 123 -2.602 24.581 -1.359 1.00 44.12 H new ATOM 0 HD2 PHE A 123 -4.566 26.487 -4.623 1.00 21.01 H new ATOM 0 HE1 PHE A 123 -4.457 22.983 -1.173 1.00 0.45 H new ATOM 0 HE2 PHE A 123 -6.426 24.892 -4.438 1.00 4.23 H new ATOM 0 HZ PHE A 123 -6.377 23.141 -2.706 1.00 61.24 H new ATOM 1914 N GLY A 124 -0.685 25.452 -5.539 1.00 3.33 N ATOM 1915 CA GLY A 124 -0.626 24.589 -6.704 1.00 32.35 C ATOM 1916 C GLY A 124 0.474 23.551 -6.601 1.00 34.40 C ATOM 1917 O GLY A 124 0.234 22.359 -6.796 1.00 73.43 O ATOM 0 H GLY A 124 -0.550 26.444 -5.734 1.00 3.33 H new ATOM 0 HA2 GLY A 124 -1.585 24.086 -6.829 1.00 32.35 H new ATOM 0 HA3 GLY A 124 -0.466 25.197 -7.595 1.00 32.35 H new ATOM 1921 N THR A 125 1.686 24.003 -6.295 1.00 52.01 N ATOM 1922 CA THR A 125 2.827 23.106 -6.170 1.00 24.30 C ATOM 1923 C THR A 125 2.613 22.096 -5.048 1.00 0.41 C ATOM 1924 O THR A 125 2.878 20.905 -5.213 1.00 53.21 O ATOM 1925 CB THR A 125 4.128 23.886 -5.902 1.00 23.31 C ATOM 1926 OG1 THR A 125 4.388 24.791 -6.981 1.00 20.14 O ATOM 1927 CG2 THR A 125 5.305 22.935 -5.736 1.00 54.51 C ATOM 0 H THR A 125 1.902 24.986 -6.129 1.00 52.01 H new ATOM 0 HA THR A 125 2.918 22.577 -7.119 1.00 24.30 H new ATOM 0 HB THR A 125 4.004 24.450 -4.978 1.00 23.31 H new ATOM 0 HG1 THR A 125 3.928 25.640 -6.814 1.00 20.14 H new ATOM 0 HG21 THR A 125 6.213 23.509 -5.548 1.00 54.51 H new ATOM 0 HG22 THR A 125 5.117 22.267 -4.896 1.00 54.51 H new ATOM 0 HG23 THR A 125 5.429 22.348 -6.646 1.00 54.51 H new ATOM 1935 N ILE A 126 2.132 22.580 -3.908 1.00 31.24 N ATOM 1936 CA ILE A 126 1.880 21.718 -2.759 1.00 44.30 C ATOM 1937 C ILE A 126 0.868 20.630 -3.099 1.00 62.24 C ATOM 1938 O ILE A 126 0.938 19.518 -2.578 1.00 60.42 O ATOM 1939 CB ILE A 126 1.364 22.525 -1.553 1.00 31.22 C ATOM 1940 CG1 ILE A 126 2.509 23.307 -0.907 1.00 0.51 C ATOM 1941 CG2 ILE A 126 0.709 21.599 -0.538 1.00 41.42 C ATOM 1942 CD1 ILE A 126 2.046 24.327 0.110 1.00 52.33 C ATOM 0 H ILE A 126 1.909 23.563 -3.755 1.00 31.24 H new ATOM 0 HA ILE A 126 2.832 21.256 -2.497 1.00 44.30 H new ATOM 0 HB ILE A 126 0.616 23.236 -1.903 1.00 31.22 H new ATOM 0 HG12 ILE A 126 3.189 22.606 -0.423 1.00 0.51 H new ATOM 0 HG13 ILE A 126 3.077 23.815 -1.687 1.00 0.51 H new ATOM 0 HG21 ILE A 126 0.349 22.184 0.309 1.00 41.42 H new ATOM 0 HG22 ILE A 126 -0.130 21.082 -1.005 1.00 41.42 H new ATOM 0 HG23 ILE A 126 1.438 20.867 -0.190 1.00 41.42 H new ATOM 0 HD11 ILE A 126 2.911 24.843 0.527 1.00 52.33 H new ATOM 0 HD12 ILE A 126 1.389 25.051 -0.373 1.00 52.33 H new ATOM 0 HD13 ILE A 126 1.504 23.823 0.910 1.00 52.33 H new ATOM 1954 N GLY A 127 -0.072 20.958 -3.980 1.00 54.10 N ATOM 1955 CA GLY A 127 -1.085 19.997 -4.377 1.00 0.21 C ATOM 1956 C GLY A 127 -0.498 18.802 -5.101 1.00 41.01 C ATOM 1957 O GLY A 127 -0.708 17.659 -4.697 1.00 24.20 O ATOM 0 H GLY A 127 -0.150 21.872 -4.426 1.00 54.10 H new ATOM 0 HA2 GLY A 127 -1.623 19.654 -3.493 1.00 0.21 H new ATOM 0 HA3 GLY A 127 -1.813 20.487 -5.023 1.00 0.21 H new ATOM 1961 N MET A 128 0.238 19.066 -6.176 1.00 4.35 N ATOM 1962 CA MET A 128 0.857 18.002 -6.958 1.00 50.40 C ATOM 1963 C MET A 128 2.040 17.395 -6.210 1.00 52.14 C ATOM 1964 O MET A 128 2.459 16.274 -6.498 1.00 63.12 O ATOM 1965 CB MET A 128 1.317 18.540 -8.314 1.00 65.45 C ATOM 1966 CG MET A 128 2.469 19.527 -8.218 1.00 23.11 C ATOM 1967 SD MET A 128 2.863 20.292 -9.802 1.00 53.33 S ATOM 1968 CE MET A 128 1.456 21.381 -10.011 1.00 74.31 C ATOM 0 H MET A 128 0.420 20.007 -6.525 1.00 4.35 H new ATOM 0 HA MET A 128 0.113 17.222 -7.118 1.00 50.40 H new ATOM 0 HB2 MET A 128 1.618 17.703 -8.944 1.00 65.45 H new ATOM 0 HB3 MET A 128 0.475 19.024 -8.808 1.00 65.45 H new ATOM 0 HG2 MET A 128 2.217 20.304 -7.496 1.00 23.11 H new ATOM 0 HG3 MET A 128 3.352 19.013 -7.838 1.00 23.11 H new ATOM 0 HE1 MET A 128 1.679 22.120 -10.781 1.00 74.31 H new ATOM 0 HE2 MET A 128 0.585 20.797 -10.310 1.00 74.31 H new ATOM 0 HE3 MET A 128 1.246 21.889 -9.070 1.00 74.31 H new ATOM 1978 N PHE A 129 2.574 18.142 -5.250 1.00 13.31 N ATOM 1979 CA PHE A 129 3.709 17.678 -4.462 1.00 64.40 C ATOM 1980 C PHE A 129 3.250 16.751 -3.340 1.00 2.21 C ATOM 1981 O PHE A 129 4.041 15.985 -2.789 1.00 25.40 O ATOM 1982 CB PHE A 129 4.472 18.868 -3.876 1.00 70.21 C ATOM 1983 CG PHE A 129 5.695 18.472 -3.099 1.00 42.35 C ATOM 1984 CD1 PHE A 129 6.594 17.553 -3.617 1.00 54.22 C ATOM 1985 CD2 PHE A 129 5.947 19.020 -1.852 1.00 41.10 C ATOM 1986 CE1 PHE A 129 7.719 17.187 -2.904 1.00 45.12 C ATOM 1987 CE2 PHE A 129 7.072 18.658 -1.134 1.00 53.15 C ATOM 1988 CZ PHE A 129 7.960 17.741 -1.662 1.00 15.11 C ATOM 0 H PHE A 129 2.239 19.072 -4.999 1.00 13.31 H new ATOM 0 HA PHE A 129 4.373 17.120 -5.122 1.00 64.40 H new ATOM 0 HB2 PHE A 129 4.766 19.535 -4.686 1.00 70.21 H new ATOM 0 HB3 PHE A 129 3.804 19.432 -3.225 1.00 70.21 H new ATOM 0 HD1 PHE A 129 6.413 17.118 -4.589 1.00 54.22 H new ATOM 0 HD2 PHE A 129 5.257 19.739 -1.436 1.00 41.10 H new ATOM 0 HE1 PHE A 129 8.410 16.468 -3.318 1.00 45.12 H new ATOM 0 HE2 PHE A 129 7.256 19.091 -0.162 1.00 53.15 H new ATOM 0 HZ PHE A 129 8.841 17.458 -1.105 1.00 15.11 H new ATOM 1998 N LEU A 130 1.967 16.828 -3.006 1.00 32.13 N ATOM 1999 CA LEU A 130 1.400 15.997 -1.949 1.00 4.12 C ATOM 2000 C LEU A 130 1.072 14.602 -2.470 1.00 31.30 C ATOM 2001 O LEU A 130 0.797 13.688 -1.693 1.00 20.12 O ATOM 2002 CB LEU A 130 0.140 16.651 -1.379 1.00 62.11 C ATOM 2003 CG LEU A 130 0.259 17.218 0.036 1.00 45.43 C ATOM 2004 CD1 LEU A 130 -0.559 18.493 0.170 1.00 34.24 C ATOM 2005 CD2 LEU A 130 -0.183 16.187 1.063 1.00 30.22 C ATOM 0 H LEU A 130 1.299 17.457 -3.452 1.00 32.13 H new ATOM 0 HA LEU A 130 2.143 15.903 -1.157 1.00 4.12 H new ATOM 0 HB2 LEU A 130 -0.161 17.457 -2.048 1.00 62.11 H new ATOM 0 HB3 LEU A 130 -0.663 15.914 -1.387 1.00 62.11 H new ATOM 0 HG LEU A 130 1.305 17.461 0.223 1.00 45.43 H new ATOM 0 HD11 LEU A 130 -0.462 18.882 1.183 1.00 34.24 H new ATOM 0 HD12 LEU A 130 -0.195 19.235 -0.540 1.00 34.24 H new ATOM 0 HD13 LEU A 130 -1.607 18.276 -0.037 1.00 34.24 H new ATOM 0 HD21 LEU A 130 -0.091 16.608 2.064 1.00 30.22 H new ATOM 0 HD22 LEU A 130 -1.221 15.912 0.879 1.00 30.22 H new ATOM 0 HD23 LEU A 130 0.447 15.301 0.983 1.00 30.22 H new