USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 475 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 17 HIS : no HD1:sc= 0.377 K(o=-0.27,f=-6.8!) USER MOD Set 1.2: A 22 THR OG1 : rot 128:sc= -0.646! USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 17:sc= 0.54 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -1 TRP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -2.96 X(o=-3,f=-2.7!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 24 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.16) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.23) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0796 K(o=-0.08,f=-0.94) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0134 K(o=-0.013,f=-0.66) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.00887 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A -1 40.842 13.198 9.414 1.00 0.00 N ATOM 2 CA TRP A -1 39.456 13.551 9.006 1.00 0.00 C ATOM 3 C TRP A -1 38.745 14.328 10.114 1.00 0.00 C ATOM 4 O TRP A -1 38.861 13.997 11.295 1.00 0.00 O ATOM 5 CB TRP A -1 38.707 12.257 8.662 1.00 0.00 C ATOM 6 CG TRP A -1 37.310 12.459 8.143 1.00 0.00 C ATOM 7 CD1 TRP A -1 36.231 11.666 8.397 1.00 0.00 C ATOM 8 CD2 TRP A -1 36.840 13.502 7.275 1.00 0.00 C ATOM 9 NE1 TRP A -1 35.121 12.153 7.753 1.00 0.00 N ATOM 10 CE2 TRP A -1 35.468 13.272 7.055 1.00 0.00 C ATOM 11 CE3 TRP A -1 37.437 14.606 6.663 1.00 0.00 C ATOM 12 CZ2 TRP A -1 34.689 14.101 6.253 1.00 0.00 C ATOM 13 CZ3 TRP A -1 36.661 15.427 5.869 1.00 0.00 C ATOM 14 CH2 TRP A -1 35.302 15.171 5.671 1.00 0.00 C ATOM 0 H1 TRP A -1 41.306 12.671 8.647 1.00 0.00 H new ATOM 0 H2 TRP A -1 41.378 14.067 9.611 1.00 0.00 H new ATOM 0 H3 TRP A -1 40.812 12.609 10.270 1.00 0.00 H new ATOM 0 HA TRP A -1 39.480 14.199 8.130 1.00 0.00 H new ATOM 0 HB2 TRP A -1 39.281 11.708 7.916 1.00 0.00 H new ATOM 0 HB3 TRP A -1 38.662 11.631 9.553 1.00 0.00 H new ATOM 0 HD1 TRP A -1 36.247 10.781 9.016 1.00 0.00 H new ATOM 0 HE1 TRP A -1 34.187 11.744 7.790 1.00 0.00 H new ATOM 0 HE3 TRP A -1 38.487 14.814 6.808 1.00 0.00 H new ATOM 0 HZ2 TRP A -1 33.639 13.904 6.098 1.00 0.00 H new ATOM 0 HZ3 TRP A -1 37.113 16.284 5.392 1.00 0.00 H new ATOM 0 HH2 TRP A -1 34.725 15.834 5.044 1.00 0.00 H new ATOM 25 N LEU A 1 38.030 15.377 9.719 1.00 0.00 N ATOM 26 CA LEU A 1 37.317 16.236 10.665 1.00 0.00 C ATOM 27 C LEU A 1 36.073 15.565 11.248 1.00 0.00 C ATOM 28 O LEU A 1 35.311 16.195 11.979 1.00 0.00 O ATOM 29 CB LEU A 1 36.925 17.543 9.976 1.00 0.00 C ATOM 30 CG LEU A 1 35.519 17.558 9.375 1.00 0.00 C ATOM 31 CD1 LEU A 1 35.195 18.926 8.808 1.00 0.00 C ATOM 32 CD2 LEU A 1 35.384 16.497 8.298 1.00 0.00 C ATOM 0 H LEU A 1 37.927 15.656 8.743 1.00 0.00 H new ATOM 0 HA LEU A 1 37.994 16.434 11.496 1.00 0.00 H new ATOM 0 HB2 LEU A 1 37.004 18.355 10.698 1.00 0.00 H new ATOM 0 HB3 LEU A 1 37.645 17.749 9.184 1.00 0.00 H new ATOM 0 HG LEU A 1 34.808 17.335 10.171 1.00 0.00 H new ATOM 0 HD11 LEU A 1 34.190 18.916 8.385 1.00 0.00 H new ATOM 0 HD12 LEU A 1 35.247 19.671 9.602 1.00 0.00 H new ATOM 0 HD13 LEU A 1 35.914 19.176 8.028 1.00 0.00 H new ATOM 0 HD21 LEU A 1 34.376 16.525 7.884 1.00 0.00 H new ATOM 0 HD22 LEU A 1 36.107 16.689 7.506 1.00 0.00 H new ATOM 0 HD23 LEU A 1 35.571 15.514 8.730 1.00 0.00 H new ATOM 44 N ILE A 2 35.864 14.293 10.926 1.00 0.00 N ATOM 45 CA ILE A 2 34.708 13.564 11.431 1.00 0.00 C ATOM 46 C ILE A 2 35.124 12.534 12.473 1.00 0.00 C ATOM 47 O ILE A 2 36.066 11.768 12.266 1.00 0.00 O ATOM 48 CB ILE A 2 33.953 12.867 10.290 1.00 0.00 C ATOM 49 CG1 ILE A 2 33.615 13.871 9.190 1.00 0.00 C ATOM 50 CG2 ILE A 2 32.693 12.192 10.811 1.00 0.00 C ATOM 51 CD1 ILE A 2 32.645 14.941 9.630 1.00 0.00 C ATOM 0 H ILE A 2 36.477 13.748 10.320 1.00 0.00 H new ATOM 0 HA ILE A 2 34.044 14.291 11.899 1.00 0.00 H new ATOM 0 HB ILE A 2 34.597 12.096 9.868 1.00 0.00 H new ATOM 0 HG12 ILE A 2 34.535 14.344 8.846 1.00 0.00 H new ATOM 0 HG13 ILE A 2 33.193 13.337 8.338 1.00 0.00 H new ATOM 0 HG21 ILE A 2 32.174 11.705 9.986 1.00 0.00 H new ATOM 0 HG22 ILE A 2 32.962 11.448 11.561 1.00 0.00 H new ATOM 0 HG23 ILE A 2 32.039 12.939 11.260 1.00 0.00 H new ATOM 0 HD11 ILE A 2 32.450 15.619 8.799 1.00 0.00 H new ATOM 0 HD12 ILE A 2 31.711 14.477 9.947 1.00 0.00 H new ATOM 0 HD13 ILE A 2 33.073 15.500 10.462 1.00 0.00 H new ATOM 63 N THR A 3 34.421 12.527 13.603 1.00 0.00 N ATOM 64 CA THR A 3 34.720 11.600 14.687 1.00 0.00 C ATOM 65 C THR A 3 33.932 10.299 14.546 1.00 0.00 C ATOM 66 O THR A 3 32.897 10.257 13.880 1.00 0.00 O ATOM 67 CB THR A 3 34.416 12.257 16.035 1.00 0.00 C ATOM 68 OG1 THR A 3 33.019 12.335 16.251 1.00 0.00 O ATOM 69 CG2 THR A 3 34.977 13.657 16.159 1.00 0.00 C ATOM 0 H THR A 3 33.639 13.155 13.790 1.00 0.00 H new ATOM 0 HA THR A 3 35.780 11.353 14.635 1.00 0.00 H new ATOM 0 HB THR A 3 34.897 11.623 16.780 1.00 0.00 H new ATOM 0 HG1 THR A 3 32.845 12.756 17.119 1.00 0.00 H new ATOM 0 HG21 THR A 3 34.725 14.064 17.138 1.00 0.00 H new ATOM 0 HG22 THR A 3 36.061 13.626 16.046 1.00 0.00 H new ATOM 0 HG23 THR A 3 34.549 14.290 15.382 1.00 0.00 H new ATOM 77 N GLY A 4 34.433 9.243 15.179 1.00 0.00 N ATOM 78 CA GLY A 4 33.772 7.953 15.115 1.00 0.00 C ATOM 79 C GLY A 4 34.125 7.184 13.857 1.00 0.00 C ATOM 80 O GLY A 4 35.101 7.504 13.182 1.00 0.00 O ATOM 0 H GLY A 4 35.287 9.258 15.736 1.00 0.00 H new ATOM 0 HA2 GLY A 4 34.049 7.362 15.988 1.00 0.00 H new ATOM 0 HA3 GLY A 4 32.693 8.098 15.158 1.00 0.00 H new ATOM 84 N THR A 5 33.331 6.162 13.544 1.00 0.00 N ATOM 85 CA THR A 5 33.570 5.347 12.358 1.00 0.00 C ATOM 86 C THR A 5 35.048 5.003 12.224 1.00 0.00 C ATOM 87 O THR A 5 35.655 5.210 11.174 1.00 0.00 O ATOM 88 CB THR A 5 33.086 6.076 11.108 1.00 0.00 C ATOM 89 OG1 THR A 5 33.770 7.305 10.949 1.00 0.00 O ATOM 90 CG2 THR A 5 31.603 6.375 11.133 1.00 0.00 C ATOM 0 H THR A 5 32.520 5.880 14.094 1.00 0.00 H new ATOM 0 HA THR A 5 33.010 4.418 12.466 1.00 0.00 H new ATOM 0 HB THR A 5 33.292 5.401 10.278 1.00 0.00 H new ATOM 0 HG1 THR A 5 34.576 7.305 11.506 1.00 0.00 H new ATOM 0 HG21 THR A 5 31.321 6.894 10.217 1.00 0.00 H new ATOM 0 HG22 THR A 5 31.045 5.442 11.208 1.00 0.00 H new ATOM 0 HG23 THR A 5 31.373 7.005 11.992 1.00 0.00 H new ATOM 98 N GLU A 6 35.617 4.481 13.301 1.00 0.00 N ATOM 99 CA GLU A 6 37.023 4.107 13.322 1.00 0.00 C ATOM 100 C GLU A 6 37.334 3.052 12.269 1.00 0.00 C ATOM 101 O GLU A 6 36.457 2.293 11.852 1.00 0.00 O ATOM 102 CB GLU A 6 37.417 3.594 14.706 1.00 0.00 C ATOM 103 CG GLU A 6 37.305 4.642 15.802 1.00 0.00 C ATOM 104 CD GLU A 6 38.125 5.884 15.507 1.00 0.00 C ATOM 105 OE1 GLU A 6 39.285 5.740 15.069 1.00 0.00 O ATOM 106 OE2 GLU A 6 37.605 7.000 15.713 1.00 0.00 O ATOM 0 H GLU A 6 35.123 4.306 14.176 1.00 0.00 H new ATOM 0 HA GLU A 6 37.606 4.999 13.091 1.00 0.00 H new ATOM 0 HB2 GLU A 6 36.784 2.744 14.962 1.00 0.00 H new ATOM 0 HB3 GLU A 6 38.443 3.228 14.669 1.00 0.00 H new ATOM 0 HG2 GLU A 6 36.259 4.923 15.926 1.00 0.00 H new ATOM 0 HG3 GLU A 6 37.633 4.210 16.747 1.00 0.00 H new ATOM 113 N ALA A 7 38.590 3.010 11.846 1.00 0.00 N ATOM 114 CA ALA A 7 39.032 2.050 10.845 1.00 0.00 C ATOM 115 C ALA A 7 39.096 0.634 11.414 1.00 0.00 C ATOM 116 O ALA A 7 39.505 -0.298 10.724 1.00 0.00 O ATOM 117 CB ALA A 7 40.389 2.454 10.292 1.00 0.00 C ATOM 0 H ALA A 7 39.324 3.633 12.183 1.00 0.00 H new ATOM 0 HA ALA A 7 38.300 2.052 10.037 1.00 0.00 H new ATOM 0 HB1 ALA A 7 40.708 1.728 9.544 1.00 0.00 H new ATOM 0 HB2 ALA A 7 40.316 3.440 9.832 1.00 0.00 H new ATOM 0 HB3 ALA A 7 41.118 2.485 11.102 1.00 0.00 H new ATOM 123 N SER A 8 38.690 0.464 12.671 1.00 0.00 N ATOM 124 CA SER A 8 38.717 -0.855 13.288 1.00 0.00 C ATOM 125 C SER A 8 38.240 -1.903 12.293 1.00 0.00 C ATOM 126 O SER A 8 37.633 -1.576 11.273 1.00 0.00 O ATOM 127 CB SER A 8 37.848 -0.893 14.550 1.00 0.00 C ATOM 128 OG SER A 8 36.469 -0.813 14.227 1.00 0.00 O ATOM 0 H SER A 8 38.344 1.212 13.272 1.00 0.00 H new ATOM 0 HA SER A 8 39.744 -1.075 13.578 1.00 0.00 H new ATOM 0 HB2 SER A 8 38.042 -1.813 15.101 1.00 0.00 H new ATOM 0 HB3 SER A 8 38.119 -0.066 15.206 1.00 0.00 H new ATOM 0 HG SER A 8 35.938 -0.841 15.050 1.00 0.00 H new ATOM 134 N CYS A 9 38.548 -3.160 12.576 1.00 0.00 N ATOM 135 CA CYS A 9 38.178 -4.255 11.686 1.00 0.00 C ATOM 136 C CYS A 9 37.259 -5.267 12.367 1.00 0.00 C ATOM 137 O CYS A 9 36.709 -5.016 13.442 1.00 0.00 O ATOM 138 CB CYS A 9 39.441 -4.973 11.220 1.00 0.00 C ATOM 139 SG CYS A 9 39.972 -6.313 12.335 1.00 0.00 S ATOM 0 H CYS A 9 39.053 -3.449 13.414 1.00 0.00 H new ATOM 0 HA CYS A 9 37.639 -3.825 10.842 1.00 0.00 H new ATOM 0 HB2 CYS A 9 39.268 -5.386 10.226 1.00 0.00 H new ATOM 0 HB3 CYS A 9 40.249 -4.247 11.128 1.00 0.00 H new ATOM 144 N GLU A 10 37.140 -6.429 11.729 1.00 0.00 N ATOM 145 CA GLU A 10 36.343 -7.529 12.246 1.00 0.00 C ATOM 146 C GLU A 10 37.264 -8.648 12.730 1.00 0.00 C ATOM 147 O GLU A 10 36.923 -9.401 13.641 1.00 0.00 O ATOM 148 CB GLU A 10 35.387 -8.051 11.168 1.00 0.00 C ATOM 149 CG GLU A 10 34.388 -7.011 10.689 1.00 0.00 C ATOM 150 CD GLU A 10 33.401 -7.564 9.678 1.00 0.00 C ATOM 151 OE1 GLU A 10 33.555 -8.736 9.277 1.00 0.00 O ATOM 152 OE2 GLU A 10 32.474 -6.823 9.287 1.00 0.00 O ATOM 0 H GLU A 10 37.595 -6.631 10.839 1.00 0.00 H new ATOM 0 HA GLU A 10 35.747 -7.171 13.085 1.00 0.00 H new ATOM 0 HB2 GLU A 10 35.969 -8.403 10.317 1.00 0.00 H new ATOM 0 HB3 GLU A 10 34.844 -8.911 11.560 1.00 0.00 H new ATOM 0 HG2 GLU A 10 33.841 -6.618 11.546 1.00 0.00 H new ATOM 0 HG3 GLU A 10 34.927 -6.175 10.244 1.00 0.00 H new ATOM 159 N ASN A 11 38.446 -8.740 12.110 1.00 0.00 N ATOM 160 CA ASN A 11 39.437 -9.757 12.473 1.00 0.00 C ATOM 161 C ASN A 11 40.662 -9.125 13.140 1.00 0.00 C ATOM 162 O ASN A 11 40.523 -8.327 14.065 1.00 0.00 O ATOM 163 CB ASN A 11 39.848 -10.569 11.239 1.00 0.00 C ATOM 164 CG ASN A 11 40.379 -11.940 11.614 1.00 0.00 C ATOM 165 OD1 ASN A 11 40.445 -12.288 12.793 1.00 0.00 O ATOM 166 ND2 ASN A 11 40.753 -12.730 10.614 1.00 0.00 N ATOM 0 H ASN A 11 38.739 -8.121 11.354 1.00 0.00 H new ATOM 0 HA ASN A 11 38.978 -10.432 13.195 1.00 0.00 H new ATOM 0 HB2 ASN A 11 38.990 -10.681 10.576 1.00 0.00 H new ATOM 0 HB3 ASN A 11 40.611 -10.024 10.683 1.00 0.00 H new ATOM 0 HD21 ASN A 11 41.111 -13.665 10.809 1.00 0.00 H new ATOM 0 HD22 ASN A 11 40.682 -12.402 9.651 1.00 0.00 H new ATOM 173 N GLU A 12 41.859 -9.508 12.691 1.00 0.00 N ATOM 174 CA GLU A 12 43.093 -8.998 13.266 1.00 0.00 C ATOM 175 C GLU A 12 44.262 -9.224 12.318 1.00 0.00 C ATOM 176 O GLU A 12 44.577 -10.355 11.945 1.00 0.00 O ATOM 177 CB GLU A 12 43.364 -9.673 14.606 1.00 0.00 C ATOM 178 CG GLU A 12 42.484 -9.169 15.731 1.00 0.00 C ATOM 179 CD GLU A 12 42.852 -9.773 17.073 1.00 0.00 C ATOM 180 OE1 GLU A 12 43.674 -10.713 17.095 1.00 0.00 O ATOM 181 OE2 GLU A 12 42.314 -9.308 18.099 1.00 0.00 O ATOM 0 H GLU A 12 41.994 -10.172 11.928 1.00 0.00 H new ATOM 0 HA GLU A 12 42.983 -7.925 13.425 1.00 0.00 H new ATOM 0 HB2 GLU A 12 43.219 -10.748 14.497 1.00 0.00 H new ATOM 0 HB3 GLU A 12 44.408 -9.518 14.876 1.00 0.00 H new ATOM 0 HG2 GLU A 12 42.563 -8.084 15.791 1.00 0.00 H new ATOM 0 HG3 GLU A 12 41.443 -9.401 15.505 1.00 0.00 H new ATOM 188 N GLY A 13 44.892 -8.124 11.945 1.00 0.00 N ATOM 189 CA GLY A 13 46.024 -8.170 11.048 1.00 0.00 C ATOM 190 C GLY A 13 45.689 -8.759 9.690 1.00 0.00 C ATOM 191 O GLY A 13 46.529 -9.421 9.078 1.00 0.00 O ATOM 0 H GLY A 13 44.634 -7.186 12.253 1.00 0.00 H new ATOM 0 HA2 GLY A 13 46.413 -7.161 10.913 1.00 0.00 H new ATOM 0 HA3 GLY A 13 46.818 -8.759 11.506 1.00 0.00 H new ATOM 195 N GLU A 14 44.467 -8.532 9.212 1.00 0.00 N ATOM 196 CA GLU A 14 44.046 -9.061 7.918 1.00 0.00 C ATOM 197 C GLU A 14 44.250 -8.071 6.813 1.00 0.00 C ATOM 198 O GLU A 14 45.246 -8.109 6.094 1.00 0.00 O ATOM 199 CB GLU A 14 42.584 -9.493 7.977 1.00 0.00 C ATOM 200 CG GLU A 14 42.322 -10.603 8.969 1.00 0.00 C ATOM 201 CD GLU A 14 43.076 -11.875 8.634 1.00 0.00 C ATOM 202 OE1 GLU A 14 43.602 -11.974 7.504 1.00 0.00 O ATOM 203 OE2 GLU A 14 43.143 -12.773 9.500 1.00 0.00 O ATOM 0 H GLU A 14 43.755 -7.988 9.699 1.00 0.00 H new ATOM 0 HA GLU A 14 44.670 -9.927 7.699 1.00 0.00 H new ATOM 0 HB2 GLU A 14 41.969 -8.631 8.237 1.00 0.00 H new ATOM 0 HB3 GLU A 14 42.270 -9.821 6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 14 42.607 -10.268 9.967 1.00 0.00 H new ATOM 0 HG3 GLU A 14 41.253 -10.815 8.997 1.00 0.00 H new ATOM 210 N VAL A 15 43.282 -7.219 6.670 1.00 0.00 N ATOM 211 CA VAL A 15 43.299 -6.213 5.638 1.00 0.00 C ATOM 212 C VAL A 15 41.895 -5.698 5.406 1.00 0.00 C ATOM 213 O VAL A 15 41.026 -6.411 4.904 1.00 0.00 O ATOM 214 CB VAL A 15 43.882 -6.790 4.358 1.00 0.00 C ATOM 215 CG1 VAL A 15 43.340 -8.177 4.157 1.00 0.00 C ATOM 216 CG2 VAL A 15 43.597 -5.884 3.168 1.00 0.00 C ATOM 0 H VAL A 15 42.453 -7.197 7.264 1.00 0.00 H new ATOM 0 HA VAL A 15 43.927 -5.380 5.954 1.00 0.00 H new ATOM 0 HB VAL A 15 44.967 -6.850 4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 15 43.753 -8.600 3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 15 43.620 -8.803 5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 15 42.253 -8.135 4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 15 44.026 -6.322 2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 15 42.520 -5.777 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 15 44.041 -4.904 3.342 1.00 0.00 H new ATOM 226 N LEU A 16 41.674 -4.473 5.832 1.00 0.00 N ATOM 227 CA LEU A 16 40.368 -3.862 5.742 1.00 0.00 C ATOM 228 C LEU A 16 40.334 -2.763 4.693 1.00 0.00 C ATOM 229 O LEU A 16 41.071 -1.783 4.771 1.00 0.00 O ATOM 230 CB LEU A 16 39.973 -3.309 7.120 1.00 0.00 C ATOM 231 CG LEU A 16 40.655 -4.001 8.314 1.00 0.00 C ATOM 232 CD1 LEU A 16 40.886 -5.473 8.030 1.00 0.00 C ATOM 233 CD2 LEU A 16 41.955 -3.293 8.656 1.00 0.00 C ATOM 0 H LEU A 16 42.390 -3.877 6.248 1.00 0.00 H new ATOM 0 HA LEU A 16 39.650 -4.621 5.433 1.00 0.00 H new ATOM 0 HB2 LEU A 16 40.210 -2.246 7.151 1.00 0.00 H new ATOM 0 HB3 LEU A 16 38.893 -3.398 7.235 1.00 0.00 H new ATOM 0 HG LEU A 16 39.993 -3.937 9.178 1.00 0.00 H new ATOM 0 HD11 LEU A 16 41.369 -5.938 8.889 1.00 0.00 H new ATOM 0 HD12 LEU A 16 39.930 -5.962 7.843 1.00 0.00 H new ATOM 0 HD13 LEU A 16 41.525 -5.578 7.154 1.00 0.00 H new ATOM 0 HD21 LEU A 16 42.429 -3.791 9.502 1.00 0.00 H new ATOM 0 HD22 LEU A 16 42.624 -3.324 7.796 1.00 0.00 H new ATOM 0 HD23 LEU A 16 41.747 -2.255 8.916 1.00 0.00 H new ATOM 245 N HIS A 17 39.458 -2.943 3.719 1.00 0.00 N ATOM 246 CA HIS A 17 39.293 -1.975 2.640 1.00 0.00 C ATOM 247 C HIS A 17 38.475 -0.781 3.120 1.00 0.00 C ATOM 248 O HIS A 17 37.421 -0.950 3.734 1.00 0.00 O ATOM 249 CB HIS A 17 38.592 -2.631 1.450 1.00 0.00 C ATOM 250 CG HIS A 17 38.336 -1.692 0.315 1.00 0.00 C ATOM 251 ND1 HIS A 17 39.301 -1.346 -0.608 1.00 0.00 N ATOM 252 CD2 HIS A 17 37.212 -1.027 -0.049 1.00 0.00 C ATOM 253 CE1 HIS A 17 38.782 -0.509 -1.490 1.00 0.00 C ATOM 254 NE2 HIS A 17 37.517 -0.301 -1.172 1.00 0.00 N ATOM 0 H HIS A 17 38.845 -3.755 3.651 1.00 0.00 H new ATOM 0 HA HIS A 17 40.279 -1.629 2.331 1.00 0.00 H new ATOM 0 HB2 HIS A 17 39.201 -3.462 1.093 1.00 0.00 H new ATOM 0 HB3 HIS A 17 37.643 -3.051 1.784 1.00 0.00 H new ATOM 0 HD2 HIS A 17 36.256 -1.062 0.452 1.00 0.00 H new ATOM 0 HE1 HIS A 17 39.303 -0.070 -2.328 1.00 0.00 H new ATOM 0 HE2 HIS A 17 36.871 0.303 -1.680 1.00 0.00 H new ATOM 262 N ILE A 18 38.964 0.426 2.844 1.00 0.00 N ATOM 263 CA ILE A 18 38.268 1.639 3.258 1.00 0.00 C ATOM 264 C ILE A 18 38.162 2.648 2.125 1.00 0.00 C ATOM 265 O ILE A 18 39.145 2.940 1.446 1.00 0.00 O ATOM 266 CB ILE A 18 38.974 2.321 4.444 1.00 0.00 C ATOM 267 CG1 ILE A 18 38.898 1.435 5.686 1.00 0.00 C ATOM 268 CG2 ILE A 18 38.353 3.685 4.722 1.00 0.00 C ATOM 269 CD1 ILE A 18 40.109 0.553 5.873 1.00 0.00 C ATOM 0 H ILE A 18 39.835 0.588 2.338 1.00 0.00 H new ATOM 0 HA ILE A 18 37.269 1.322 3.556 1.00 0.00 H new ATOM 0 HB ILE A 18 40.023 2.468 4.186 1.00 0.00 H new ATOM 0 HG12 ILE A 18 38.779 2.067 6.566 1.00 0.00 H new ATOM 0 HG13 ILE A 18 38.009 0.808 5.621 1.00 0.00 H new ATOM 0 HG21 ILE A 18 38.864 4.153 5.563 1.00 0.00 H new ATOM 0 HG22 ILE A 18 38.453 4.317 3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 18 37.297 3.562 4.962 1.00 0.00 H new ATOM 0 HD11 ILE A 18 39.986 -0.048 6.774 1.00 0.00 H new ATOM 0 HD12 ILE A 18 40.217 -0.104 5.010 1.00 0.00 H new ATOM 0 HD13 ILE A 18 41.000 1.174 5.970 1.00 0.00 H new ATOM 281 N PRO A 19 36.964 3.221 1.927 1.00 0.00 N ATOM 282 CA PRO A 19 36.740 4.228 0.896 1.00 0.00 C ATOM 283 C PRO A 19 37.577 5.470 1.169 1.00 0.00 C ATOM 284 O PRO A 19 37.719 5.901 2.315 1.00 0.00 O ATOM 285 CB PRO A 19 35.247 4.534 0.997 1.00 0.00 C ATOM 286 CG PRO A 19 34.878 4.137 2.382 1.00 0.00 C ATOM 287 CD PRO A 19 35.748 2.957 2.712 1.00 0.00 C ATOM 0 HA PRO A 19 37.026 3.888 -0.099 1.00 0.00 H new ATOM 0 HB2 PRO A 19 35.046 5.591 0.820 1.00 0.00 H new ATOM 0 HB3 PRO A 19 34.676 3.972 0.258 1.00 0.00 H new ATOM 0 HG2 PRO A 19 35.046 4.955 3.082 1.00 0.00 H new ATOM 0 HG3 PRO A 19 33.822 3.875 2.446 1.00 0.00 H new ATOM 0 HD2 PRO A 19 35.960 2.897 3.779 1.00 0.00 H new ATOM 0 HD3 PRO A 19 35.278 2.016 2.427 1.00 0.00 H new ATOM 295 N ASN A 20 38.145 6.025 0.114 1.00 0.00 N ATOM 296 CA ASN A 20 38.997 7.205 0.224 1.00 0.00 C ATOM 297 C ASN A 20 40.430 6.810 0.591 1.00 0.00 C ATOM 298 O ASN A 20 41.390 7.425 0.127 1.00 0.00 O ATOM 299 CB ASN A 20 38.446 8.179 1.268 1.00 0.00 C ATOM 300 CG ASN A 20 39.076 9.554 1.150 1.00 0.00 C ATOM 301 OD1 ASN A 20 38.965 10.213 0.116 1.00 0.00 O ATOM 302 ND2 ASN A 20 39.742 9.995 2.212 1.00 0.00 N ATOM 0 H ASN A 20 38.033 5.677 -0.838 1.00 0.00 H new ATOM 0 HA ASN A 20 39.006 7.699 -0.748 1.00 0.00 H new ATOM 0 HB2 ASN A 20 37.366 8.264 1.150 1.00 0.00 H new ATOM 0 HB3 ASN A 20 38.628 7.781 2.266 1.00 0.00 H new ATOM 0 HD21 ASN A 20 40.186 10.913 2.190 1.00 0.00 H new ATOM 0 HD22 ASN A 20 39.809 9.416 3.049 1.00 0.00 H new ATOM 309 N ILE A 21 40.570 5.778 1.424 1.00 0.00 N ATOM 310 CA ILE A 21 41.883 5.301 1.847 1.00 0.00 C ATOM 311 C ILE A 21 42.409 4.234 0.892 1.00 0.00 C ATOM 312 O ILE A 21 43.332 4.482 0.115 1.00 0.00 O ATOM 313 CB ILE A 21 41.835 4.725 3.278 1.00 0.00 C ATOM 314 CG1 ILE A 21 41.609 5.847 4.294 1.00 0.00 C ATOM 315 CG2 ILE A 21 43.111 3.963 3.598 1.00 0.00 C ATOM 316 CD1 ILE A 21 42.597 6.986 4.165 1.00 0.00 C ATOM 0 H ILE A 21 39.787 5.257 1.819 1.00 0.00 H new ATOM 0 HA ILE A 21 42.556 6.158 1.834 1.00 0.00 H new ATOM 0 HB ILE A 21 41.001 4.026 3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 21 40.599 6.238 4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 21 41.673 5.433 5.300 1.00 0.00 H new ATOM 0 HG21 ILE A 21 43.054 3.567 4.612 1.00 0.00 H new ATOM 0 HG22 ILE A 21 43.230 3.140 2.893 1.00 0.00 H new ATOM 0 HG23 ILE A 21 43.966 4.635 3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 21 42.377 7.745 4.916 1.00 0.00 H new ATOM 0 HD12 ILE A 21 43.609 6.609 4.315 1.00 0.00 H new ATOM 0 HD13 ILE A 21 42.518 7.426 3.171 1.00 0.00 H new ATOM 328 N THR A 22 41.817 3.046 0.962 1.00 0.00 N ATOM 329 CA THR A 22 42.218 1.929 0.108 1.00 0.00 C ATOM 330 C THR A 22 41.636 2.061 -1.293 1.00 0.00 C ATOM 331 O THR A 22 41.882 1.217 -2.155 1.00 0.00 O ATOM 332 CB THR A 22 41.776 0.601 0.727 1.00 0.00 C ATOM 333 OG1 THR A 22 40.364 0.499 0.723 1.00 0.00 O ATOM 334 CG2 THR A 22 42.241 0.424 2.154 1.00 0.00 C ATOM 0 H THR A 22 41.054 2.830 1.604 1.00 0.00 H new ATOM 0 HA THR A 22 43.305 1.949 0.029 1.00 0.00 H new ATOM 0 HB THR A 22 42.234 -0.175 0.113 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.099 -0.352 0.316 1.00 0.00 H new ATOM 0 HG21 THR A 22 41.894 -0.537 2.533 1.00 0.00 H new ATOM 0 HG22 THR A 22 43.330 0.456 2.188 1.00 0.00 H new ATOM 0 HG23 THR A 22 41.835 1.225 2.771 1.00 0.00 H new ATOM 342 N ASP A 23 40.878 3.123 -1.525 1.00 0.00 N ATOM 343 CA ASP A 23 40.287 3.347 -2.837 1.00 0.00 C ATOM 344 C ASP A 23 41.364 3.201 -3.899 1.00 0.00 C ATOM 345 O ASP A 23 41.085 2.871 -5.050 1.00 0.00 O ATOM 346 CB ASP A 23 39.654 4.736 -2.915 1.00 0.00 C ATOM 347 CG ASP A 23 38.669 4.865 -4.062 1.00 0.00 C ATOM 348 OD1 ASP A 23 38.573 3.922 -4.875 1.00 0.00 O ATOM 349 OD2 ASP A 23 37.985 5.908 -4.142 1.00 0.00 O ATOM 0 H ASP A 23 40.659 3.837 -0.830 1.00 0.00 H new ATOM 0 HA ASP A 23 39.503 2.609 -3.006 1.00 0.00 H new ATOM 0 HB2 ASP A 23 39.143 4.952 -1.976 1.00 0.00 H new ATOM 0 HB3 ASP A 23 40.439 5.483 -3.030 1.00 0.00 H new ATOM 354 N ASN A 24 42.604 3.446 -3.485 1.00 0.00 N ATOM 355 CA ASN A 24 43.744 3.340 -4.375 1.00 0.00 C ATOM 356 C ASN A 24 44.489 2.036 -4.123 1.00 0.00 C ATOM 357 O ASN A 24 44.752 1.673 -2.976 1.00 0.00 O ATOM 358 CB ASN A 24 44.676 4.536 -4.173 1.00 0.00 C ATOM 359 CG ASN A 24 45.180 5.104 -5.485 1.00 0.00 C ATOM 360 OD1 ASN A 24 46.232 4.706 -5.984 1.00 0.00 O ATOM 361 ND2 ASN A 24 44.428 6.043 -6.052 1.00 0.00 N ATOM 0 H ASN A 24 42.840 3.721 -2.532 1.00 0.00 H new ATOM 0 HA ASN A 24 43.391 3.342 -5.406 1.00 0.00 H new ATOM 0 HB2 ASN A 24 44.149 5.315 -3.622 1.00 0.00 H new ATOM 0 HB3 ASN A 24 45.526 4.232 -3.562 1.00 0.00 H new ATOM 0 HD21 ASN A 24 44.717 6.463 -6.936 1.00 0.00 H new ATOM 0 HD22 ASN A 24 43.563 6.343 -5.603 1.00 0.00 H new ATOM 368 N PRO A 25 44.837 1.313 -5.195 1.00 0.00 N ATOM 369 CA PRO A 25 45.554 0.039 -5.096 1.00 0.00 C ATOM 370 C PRO A 25 46.807 0.164 -4.249 1.00 0.00 C ATOM 371 O PRO A 25 47.220 -0.779 -3.575 1.00 0.00 O ATOM 372 CB PRO A 25 45.934 -0.274 -6.551 1.00 0.00 C ATOM 373 CG PRO A 25 45.719 1.004 -7.288 1.00 0.00 C ATOM 374 CD PRO A 25 44.574 1.669 -6.595 1.00 0.00 C ATOM 0 HA PRO A 25 44.950 -0.735 -4.623 1.00 0.00 H new ATOM 0 HB2 PRO A 25 46.970 -0.604 -6.626 1.00 0.00 H new ATOM 0 HB3 PRO A 25 45.315 -1.073 -6.958 1.00 0.00 H new ATOM 0 HG2 PRO A 25 46.612 1.629 -7.261 1.00 0.00 H new ATOM 0 HG3 PRO A 25 45.490 0.819 -8.338 1.00 0.00 H new ATOM 0 HD2 PRO A 25 44.570 2.748 -6.751 1.00 0.00 H new ATOM 0 HD3 PRO A 25 43.611 1.294 -6.940 1.00 0.00 H new ATOM 382 N CYS A 26 47.405 1.342 -4.295 1.00 0.00 N ATOM 383 CA CYS A 26 48.615 1.614 -3.540 1.00 0.00 C ATOM 384 C CYS A 26 48.318 1.661 -2.046 1.00 0.00 C ATOM 385 O CYS A 26 49.209 1.467 -1.220 1.00 0.00 O ATOM 386 CB CYS A 26 49.238 2.935 -3.997 1.00 0.00 C ATOM 387 SG CYS A 26 49.488 3.047 -5.793 1.00 0.00 S ATOM 0 H CYS A 26 47.070 2.129 -4.851 1.00 0.00 H new ATOM 0 HA CYS A 26 49.324 0.807 -3.725 1.00 0.00 H new ATOM 0 HB2 CYS A 26 48.598 3.757 -3.677 1.00 0.00 H new ATOM 0 HB3 CYS A 26 50.198 3.065 -3.497 1.00 0.00 H new ATOM 392 N ILE A 27 47.061 1.932 -1.702 1.00 0.00 N ATOM 393 CA ILE A 27 46.665 2.017 -0.305 1.00 0.00 C ATOM 394 C ILE A 27 45.785 0.852 0.128 1.00 0.00 C ATOM 395 O ILE A 27 44.882 0.426 -0.592 1.00 0.00 O ATOM 396 CB ILE A 27 45.911 3.319 0.003 1.00 0.00 C ATOM 397 CG1 ILE A 27 46.708 4.519 -0.502 1.00 0.00 C ATOM 398 CG2 ILE A 27 45.657 3.428 1.504 1.00 0.00 C ATOM 399 CD1 ILE A 27 46.076 5.851 -0.161 1.00 0.00 C ATOM 0 H ILE A 27 46.306 2.095 -2.369 1.00 0.00 H new ATOM 0 HA ILE A 27 47.601 1.988 0.254 1.00 0.00 H new ATOM 0 HB ILE A 27 44.950 3.308 -0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 27 47.711 4.483 -0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 27 46.816 4.444 -1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 27 45.122 4.354 1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 27 45.059 2.579 1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 27 46.609 3.429 2.035 1.00 0.00 H new ATOM 0 HD11 ILE A 27 46.696 6.658 -0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 27 45.083 5.908 -0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 27 45.993 5.948 0.921 1.00 0.00 H new ATOM 411 N SER A 28 46.056 0.377 1.333 1.00 0.00 N ATOM 412 CA SER A 28 45.307 -0.716 1.945 1.00 0.00 C ATOM 413 C SER A 28 45.390 -0.550 3.455 1.00 0.00 C ATOM 414 O SER A 28 46.158 0.283 3.916 1.00 0.00 O ATOM 415 CB SER A 28 45.869 -2.072 1.506 1.00 0.00 C ATOM 416 OG SER A 28 47.205 -2.242 1.949 1.00 0.00 O ATOM 0 H SER A 28 46.807 0.740 1.921 1.00 0.00 H new ATOM 0 HA SER A 28 44.265 -0.686 1.625 1.00 0.00 H new ATOM 0 HB2 SER A 28 45.246 -2.873 1.905 1.00 0.00 H new ATOM 0 HB3 SER A 28 45.831 -2.150 0.419 1.00 0.00 H new ATOM 0 HG SER A 28 47.538 -3.116 1.657 1.00 0.00 H new ATOM 422 N CYS A 29 44.621 -1.319 4.229 1.00 0.00 N ATOM 423 CA CYS A 29 44.665 -1.208 5.669 1.00 0.00 C ATOM 424 C CYS A 29 44.635 -2.590 6.265 1.00 0.00 C ATOM 425 O CYS A 29 43.809 -3.401 5.869 1.00 0.00 O ATOM 426 CB CYS A 29 43.461 -0.433 6.193 1.00 0.00 C ATOM 427 SG CYS A 29 43.226 1.203 5.444 1.00 0.00 S ATOM 0 H CYS A 29 43.968 -2.018 3.875 1.00 0.00 H new ATOM 0 HA CYS A 29 45.577 -0.680 5.948 1.00 0.00 H new ATOM 0 HB2 CYS A 29 42.563 -1.027 6.024 1.00 0.00 H new ATOM 0 HB3 CYS A 29 43.565 -0.312 7.271 1.00 0.00 H new ATOM 432 N VAL A 30 45.479 -2.859 7.240 1.00 0.00 N ATOM 433 CA VAL A 30 45.437 -4.151 7.872 1.00 0.00 C ATOM 434 C VAL A 30 45.122 -3.996 9.311 1.00 0.00 C ATOM 435 O VAL A 30 45.633 -3.128 10.015 1.00 0.00 O ATOM 436 CB VAL A 30 46.690 -5.000 7.702 1.00 0.00 C ATOM 437 CG1 VAL A 30 47.836 -4.495 8.566 1.00 0.00 C ATOM 438 CG2 VAL A 30 46.366 -6.454 8.004 1.00 0.00 C ATOM 0 H VAL A 30 46.183 -2.216 7.601 1.00 0.00 H new ATOM 0 HA VAL A 30 44.650 -4.699 7.354 1.00 0.00 H new ATOM 0 HB VAL A 30 47.023 -4.921 6.667 1.00 0.00 H new ATOM 0 HG11 VAL A 30 48.711 -5.127 8.416 1.00 0.00 H new ATOM 0 HG12 VAL A 30 48.077 -3.469 8.287 1.00 0.00 H new ATOM 0 HG13 VAL A 30 47.542 -4.526 9.615 1.00 0.00 H new ATOM 0 HG21 VAL A 30 47.264 -7.060 7.882 1.00 0.00 H new ATOM 0 HG22 VAL A 30 46.006 -6.541 9.029 1.00 0.00 H new ATOM 0 HG23 VAL A 30 45.595 -6.805 7.318 1.00 0.00 H new ATOM 448 N CYS A 31 44.212 -4.813 9.711 1.00 0.00 N ATOM 449 CA CYS A 31 43.707 -4.771 11.046 1.00 0.00 C ATOM 450 C CYS A 31 44.807 -4.808 12.113 1.00 0.00 C ATOM 451 O CYS A 31 45.073 -5.849 12.708 1.00 0.00 O ATOM 452 CB CYS A 31 42.734 -5.911 11.268 1.00 0.00 C ATOM 453 SG CYS A 31 41.853 -5.804 12.847 1.00 0.00 S ATOM 0 H CYS A 31 43.793 -5.533 9.123 1.00 0.00 H new ATOM 0 HA CYS A 31 43.197 -3.814 11.156 1.00 0.00 H new ATOM 0 HB2 CYS A 31 42.008 -5.923 10.455 1.00 0.00 H new ATOM 0 HB3 CYS A 31 43.276 -6.856 11.226 1.00 0.00 H new ATOM 458 N LEU A 32 45.416 -3.660 12.377 1.00 0.00 N ATOM 459 CA LEU A 32 46.453 -3.565 13.398 1.00 0.00 C ATOM 460 C LEU A 32 45.868 -3.100 14.722 1.00 0.00 C ATOM 461 O LEU A 32 45.208 -2.063 14.787 1.00 0.00 O ATOM 462 CB LEU A 32 47.536 -2.583 12.973 1.00 0.00 C ATOM 463 CG LEU A 32 48.510 -2.188 14.077 1.00 0.00 C ATOM 464 CD1 LEU A 32 49.613 -3.228 14.221 1.00 0.00 C ATOM 465 CD2 LEU A 32 49.088 -0.809 13.796 1.00 0.00 C ATOM 0 H LEU A 32 45.211 -2.782 11.900 1.00 0.00 H new ATOM 0 HA LEU A 32 46.884 -4.559 13.520 1.00 0.00 H new ATOM 0 HB2 LEU A 32 48.100 -3.020 12.149 1.00 0.00 H new ATOM 0 HB3 LEU A 32 47.059 -1.681 12.589 1.00 0.00 H new ATOM 0 HG LEU A 32 47.970 -2.147 15.023 1.00 0.00 H new ATOM 0 HD11 LEU A 32 50.297 -2.926 15.014 1.00 0.00 H new ATOM 0 HD12 LEU A 32 49.172 -4.194 14.470 1.00 0.00 H new ATOM 0 HD13 LEU A 32 50.160 -3.310 13.282 1.00 0.00 H new ATOM 0 HD21 LEU A 32 49.782 -0.537 14.591 1.00 0.00 H new ATOM 0 HD22 LEU A 32 49.616 -0.823 12.842 1.00 0.00 H new ATOM 0 HD23 LEU A 32 48.281 -0.078 13.753 1.00 0.00 H new ATOM 477 N ASN A 33 46.124 -3.859 15.781 1.00 0.00 N ATOM 478 CA ASN A 33 45.625 -3.494 17.093 1.00 0.00 C ATOM 479 C ASN A 33 44.164 -3.073 16.992 1.00 0.00 C ATOM 480 O ASN A 33 43.743 -2.084 17.593 1.00 0.00 O ATOM 481 CB ASN A 33 46.472 -2.359 17.672 1.00 0.00 C ATOM 482 CG ASN A 33 47.923 -2.759 17.854 1.00 0.00 C ATOM 483 OD1 ASN A 33 48.224 -3.851 18.334 1.00 0.00 O ATOM 484 ND2 ASN A 33 48.832 -1.872 17.467 1.00 0.00 N ATOM 0 H ASN A 33 46.669 -4.721 15.754 1.00 0.00 H new ATOM 0 HA ASN A 33 45.694 -4.355 17.758 1.00 0.00 H new ATOM 0 HB2 ASN A 33 46.416 -1.494 17.012 1.00 0.00 H new ATOM 0 HB3 ASN A 33 46.058 -2.054 18.633 1.00 0.00 H new ATOM 0 HD21 ASN A 33 49.825 -2.084 17.563 1.00 0.00 H new ATOM 0 HD22 ASN A 33 48.537 -0.978 17.074 1.00 0.00 H new ATOM 491 N GLN A 34 43.403 -3.824 16.201 1.00 0.00 N ATOM 492 CA GLN A 34 41.990 -3.536 15.982 1.00 0.00 C ATOM 493 C GLN A 34 41.804 -2.209 15.276 1.00 0.00 C ATOM 494 O GLN A 34 40.810 -1.511 15.478 1.00 0.00 O ATOM 495 CB GLN A 34 41.236 -3.507 17.291 1.00 0.00 C ATOM 496 CG GLN A 34 41.050 -4.877 17.915 1.00 0.00 C ATOM 497 CD GLN A 34 40.318 -4.819 19.240 1.00 0.00 C ATOM 498 OE1 GLN A 34 40.474 -3.869 20.008 1.00 0.00 O ATOM 499 NE2 GLN A 34 39.506 -5.836 19.511 1.00 0.00 N ATOM 0 H GLN A 34 43.745 -4.643 15.698 1.00 0.00 H new ATOM 0 HA GLN A 34 41.594 -4.333 15.353 1.00 0.00 H new ATOM 0 HB2 GLN A 34 41.769 -2.866 17.994 1.00 0.00 H new ATOM 0 HB3 GLN A 34 40.257 -3.056 17.127 1.00 0.00 H new ATOM 0 HG2 GLN A 34 40.496 -5.514 17.226 1.00 0.00 H new ATOM 0 HG3 GLN A 34 42.025 -5.340 18.063 1.00 0.00 H new ATOM 0 HE21 GLN A 34 39.408 -6.602 18.845 1.00 0.00 H new ATOM 0 HE22 GLN A 34 38.981 -5.850 20.385 1.00 0.00 H new ATOM 508 N LYS A 35 42.762 -1.882 14.443 1.00 0.00 N ATOM 509 CA LYS A 35 42.731 -0.649 13.677 1.00 0.00 C ATOM 510 C LYS A 35 43.197 -0.904 12.254 1.00 0.00 C ATOM 511 O LYS A 35 44.087 -1.711 12.023 1.00 0.00 O ATOM 512 CB LYS A 35 43.609 0.415 14.341 1.00 0.00 C ATOM 513 CG LYS A 35 43.127 0.829 15.722 1.00 0.00 C ATOM 514 CD LYS A 35 43.994 1.935 16.305 1.00 0.00 C ATOM 515 CE LYS A 35 43.620 2.231 17.749 1.00 0.00 C ATOM 516 NZ LYS A 35 44.295 3.455 18.265 1.00 0.00 N ATOM 0 H LYS A 35 43.586 -2.459 14.274 1.00 0.00 H new ATOM 0 HA LYS A 35 41.705 -0.282 13.649 1.00 0.00 H new ATOM 0 HB2 LYS A 35 44.628 0.035 14.420 1.00 0.00 H new ATOM 0 HB3 LYS A 35 43.646 1.295 13.699 1.00 0.00 H new ATOM 0 HG2 LYS A 35 42.093 1.169 15.661 1.00 0.00 H new ATOM 0 HG3 LYS A 35 43.140 -0.034 16.387 1.00 0.00 H new ATOM 0 HD2 LYS A 35 45.043 1.643 16.252 1.00 0.00 H new ATOM 0 HD3 LYS A 35 43.884 2.839 15.706 1.00 0.00 H new ATOM 0 HE2 LYS A 35 42.540 2.354 17.825 1.00 0.00 H new ATOM 0 HE3 LYS A 35 43.888 1.379 18.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 44.011 3.618 19.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 45.326 3.329 18.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 44.020 4.274 17.686 1.00 0.00 H new ATOM 530 N ALA A 36 42.596 -0.217 11.299 1.00 0.00 N ATOM 531 CA ALA A 36 42.965 -0.389 9.904 1.00 0.00 C ATOM 532 C ALA A 36 44.363 0.122 9.630 1.00 0.00 C ATOM 533 O ALA A 36 44.544 1.287 9.274 1.00 0.00 O ATOM 534 CB ALA A 36 41.988 0.331 9.008 1.00 0.00 C ATOM 0 H ALA A 36 41.853 0.463 11.462 1.00 0.00 H new ATOM 0 HA ALA A 36 42.940 -1.458 9.692 1.00 0.00 H new ATOM 0 HB1 ALA A 36 42.279 0.192 7.967 1.00 0.00 H new ATOM 0 HB2 ALA A 36 40.987 -0.073 9.162 1.00 0.00 H new ATOM 0 HB3 ALA A 36 41.991 1.395 9.247 1.00 0.00 H new ATOM 540 N GLU A 37 45.357 -0.740 9.790 1.00 0.00 N ATOM 541 CA GLU A 37 46.720 -0.330 9.543 1.00 0.00 C ATOM 542 C GLU A 37 46.945 -0.109 8.056 1.00 0.00 C ATOM 543 O GLU A 37 47.187 -1.060 7.317 1.00 0.00 O ATOM 544 CB GLU A 37 47.703 -1.379 10.039 1.00 0.00 C ATOM 545 CG GLU A 37 49.016 -0.798 10.534 1.00 0.00 C ATOM 546 CD GLU A 37 50.015 -1.866 10.939 1.00 0.00 C ATOM 547 OE1 GLU A 37 49.696 -3.064 10.797 1.00 0.00 O ATOM 548 OE2 GLU A 37 51.120 -1.501 11.393 1.00 0.00 O ATOM 0 H GLU A 37 45.243 -1.710 10.085 1.00 0.00 H new ATOM 0 HA GLU A 37 46.888 0.601 10.084 1.00 0.00 H new ATOM 0 HB2 GLU A 37 47.239 -1.946 10.846 1.00 0.00 H new ATOM 0 HB3 GLU A 37 47.908 -2.083 9.232 1.00 0.00 H new ATOM 0 HG2 GLU A 37 49.452 -0.177 9.751 1.00 0.00 H new ATOM 0 HG3 GLU A 37 48.822 -0.147 11.386 1.00 0.00 H new ATOM 555 N CYS A 38 46.840 1.127 7.608 1.00 0.00 N ATOM 556 CA CYS A 38 47.013 1.404 6.192 1.00 0.00 C ATOM 557 C CYS A 38 48.398 1.896 5.837 1.00 0.00 C ATOM 558 O CYS A 38 49.127 2.448 6.661 1.00 0.00 O ATOM 559 CB CYS A 38 45.977 2.410 5.693 1.00 0.00 C ATOM 560 SG CYS A 38 44.396 2.392 6.590 1.00 0.00 S ATOM 0 H CYS A 38 46.640 1.942 8.188 1.00 0.00 H new ATOM 0 HA CYS A 38 46.869 0.446 5.693 1.00 0.00 H new ATOM 0 HB2 CYS A 38 46.403 3.411 5.759 1.00 0.00 H new ATOM 0 HB3 CYS A 38 45.782 2.215 4.639 1.00 0.00 H new ATOM 565 N LYS A 39 48.727 1.667 4.573 1.00 0.00 N ATOM 566 CA LYS A 39 49.998 2.049 4.001 1.00 0.00 C ATOM 567 C LYS A 39 49.810 2.360 2.522 1.00 0.00 C ATOM 568 O LYS A 39 49.020 1.698 1.842 1.00 0.00 O ATOM 569 CB LYS A 39 50.992 0.910 4.179 1.00 20.00 C ATOM 570 CG LYS A 39 51.302 0.614 5.637 1.00 20.00 C ATOM 571 CD LYS A 39 52.157 -0.627 5.775 1.00 20.00 C ATOM 572 CE LYS A 39 52.554 -0.878 7.219 1.00 20.00 C ATOM 573 NZ LYS A 39 52.255 -2.274 7.634 1.00 20.00 N ATOM 0 H LYS A 39 48.105 1.203 3.911 1.00 0.00 H new ATOM 0 HA LYS A 39 50.382 2.936 4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 39 50.594 0.011 3.708 1.00 20.00 H new ATOM 0 HB3 LYS A 39 51.918 1.159 3.660 1.00 20.00 H new ATOM 0 HG2 LYS A 39 51.818 1.465 6.082 1.00 20.00 H new ATOM 0 HG3 LYS A 39 50.372 0.481 6.189 1.00 20.00 H new ATOM 0 HD2 LYS A 39 51.611 -1.489 5.393 1.00 20.00 H new ATOM 0 HD3 LYS A 39 53.054 -0.521 5.164 1.00 20.00 H new ATOM 0 HE2 LYS A 39 53.619 -0.681 7.344 1.00 20.00 H new ATOM 0 HE3 LYS A 39 52.023 -0.183 7.869 1.00 20.00 H new ATOM 0 HZ1 LYS A 39 52.539 -2.410 8.625 1.00 20.00 H new ATOM 0 HZ2 LYS A 39 51.235 -2.454 7.538 1.00 20.00 H new ATOM 0 HZ3 LYS A 39 52.782 -2.936 7.029 1.00 20.00 H new ATOM 587 N GLN A 40 50.525 3.359 2.029 1.00 0.00 N ATOM 588 CA GLN A 40 50.419 3.734 0.626 1.00 0.00 C ATOM 589 C GLN A 40 51.720 3.444 -0.111 1.00 0.00 C ATOM 590 O GLN A 40 52.806 3.517 0.464 1.00 0.00 O ATOM 591 CB GLN A 40 50.047 5.210 0.473 1.00 0.00 C ATOM 592 CG GLN A 40 49.775 5.601 -0.969 1.00 0.00 C ATOM 593 CD GLN A 40 49.390 7.059 -1.128 1.00 0.00 C ATOM 594 OE1 GLN A 40 49.054 7.738 -0.158 1.00 0.00 O ATOM 595 NE2 GLN A 40 49.445 7.548 -2.362 1.00 0.00 N ATOM 0 H GLN A 40 51.180 3.921 2.573 1.00 0.00 H new ATOM 0 HA GLN A 40 49.624 3.133 0.185 1.00 0.00 H new ATOM 0 HB2 GLN A 40 49.163 5.422 1.075 1.00 0.00 H new ATOM 0 HB3 GLN A 40 50.856 5.827 0.866 1.00 0.00 H new ATOM 0 HG2 GLN A 40 50.663 5.399 -1.568 1.00 0.00 H new ATOM 0 HG3 GLN A 40 48.975 4.975 -1.364 1.00 0.00 H new ATOM 0 HE21 GLN A 40 49.729 6.948 -3.136 1.00 0.00 H new ATOM 0 HE22 GLN A 40 49.203 8.524 -2.535 1.00 0.00 H new ATOM 604 N GLU A 41 51.593 3.111 -1.387 1.00 0.00 N ATOM 605 CA GLU A 41 52.726 2.804 -2.222 1.00 0.00 C ATOM 606 C GLU A 41 52.965 3.893 -3.249 1.00 0.00 C ATOM 607 O GLU A 41 52.034 4.409 -3.870 1.00 0.00 O ATOM 608 CB GLU A 41 52.517 1.483 -2.956 1.00 0.00 C ATOM 609 CG GLU A 41 53.703 1.090 -3.809 1.00 0.00 C ATOM 610 CD GLU A 41 54.826 0.491 -2.987 1.00 0.00 C ATOM 611 OE1 GLU A 41 54.561 0.076 -1.839 1.00 0.00 O ATOM 612 OE2 GLU A 41 55.969 0.441 -3.487 1.00 0.00 O ATOM 0 H GLU A 41 50.695 3.048 -1.866 1.00 0.00 H new ATOM 0 HA GLU A 41 53.593 2.730 -1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 41 52.322 0.695 -2.228 1.00 0.00 H new ATOM 0 HB3 GLU A 41 51.631 1.560 -3.587 1.00 0.00 H new ATOM 0 HG2 GLU A 41 53.384 0.371 -4.563 1.00 0.00 H new ATOM 0 HG3 GLU A 41 54.072 1.967 -4.341 1.00 0.00 H new ATOM 619 N LYS A 42 54.223 4.202 -3.438 1.00 0.00 N ATOM 620 CA LYS A 42 54.638 5.198 -4.419 1.00 0.00 C ATOM 621 C LYS A 42 55.797 4.689 -5.250 1.00 0.00 C ATOM 622 O LYS A 42 56.791 4.182 -4.727 1.00 0.00 O ATOM 623 CB LYS A 42 55.027 6.518 -3.765 1.00 0.00 C ATOM 624 CG LYS A 42 55.360 7.604 -4.778 1.00 0.00 C ATOM 625 CD LYS A 42 55.877 8.866 -4.109 1.00 0.00 C ATOM 626 CE LYS A 42 55.852 10.048 -5.068 1.00 0.00 C ATOM 627 NZ LYS A 42 54.760 11.005 -4.738 1.00 0.00 N ATOM 0 H LYS A 42 54.994 3.777 -2.923 1.00 0.00 H new ATOM 0 HA LYS A 42 53.778 5.376 -5.065 1.00 0.00 H new ATOM 0 HB2 LYS A 42 54.209 6.858 -3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 42 55.888 6.357 -3.116 1.00 0.00 H new ATOM 0 HG2 LYS A 42 56.109 7.231 -5.477 1.00 0.00 H new ATOM 0 HG3 LYS A 42 54.470 7.841 -5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 42 55.268 9.092 -3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 42 56.895 8.702 -3.756 1.00 0.00 H new ATOM 0 HE2 LYS A 42 56.811 10.565 -5.033 1.00 0.00 H new ATOM 0 HE3 LYS A 42 55.722 9.686 -6.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 54.776 11.796 -5.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 53.843 10.518 -4.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 54.898 11.370 -3.774 1.00 0.00 H new ATOM 641 N CYS A 43 55.654 4.839 -6.549 1.00 0.00 N ATOM 642 CA CYS A 43 56.675 4.413 -7.491 1.00 0.00 C ATOM 643 C CYS A 43 57.950 5.235 -7.317 1.00 0.00 C ATOM 644 O CYS A 43 57.909 6.374 -6.851 1.00 0.00 O ATOM 645 CB CYS A 43 56.161 4.541 -8.924 1.00 0.00 C ATOM 646 SG CYS A 43 54.804 3.400 -9.349 1.00 0.00 S ATOM 0 H CYS A 43 54.832 5.257 -6.984 1.00 0.00 H new ATOM 0 HA CYS A 43 56.908 3.367 -7.290 1.00 0.00 H new ATOM 0 HB2 CYS A 43 55.821 5.564 -9.084 1.00 0.00 H new ATOM 0 HB3 CYS A 43 56.990 4.370 -9.610 1.00 0.00 H new ATOM 651 N ALA A 44 59.081 4.647 -7.688 1.00 0.00 N ATOM 652 CA ALA A 44 60.375 5.313 -7.567 1.00 0.00 C ATOM 653 C ALA A 44 61.491 4.368 -7.997 1.00 0.00 C ATOM 654 O ALA A 44 61.214 3.257 -8.448 1.00 0.00 O ATOM 655 CB ALA A 44 60.580 5.779 -6.134 1.00 0.00 C ATOM 0 H ALA A 44 59.129 3.705 -8.077 1.00 0.00 H new ATOM 0 HA ALA A 44 60.397 6.185 -8.221 1.00 0.00 H new ATOM 0 HB1 ALA A 44 61.547 6.275 -6.048 1.00 0.00 H new ATOM 0 HB2 ALA A 44 59.788 6.477 -5.861 1.00 0.00 H new ATOM 0 HB3 ALA A 44 60.553 4.919 -5.464 1.00 0.00 H new ATOM 661 N PRO A 45 62.767 4.780 -7.866 1.00 0.00 N ATOM 662 CA PRO A 45 63.897 3.939 -8.241 1.00 0.00 C ATOM 663 C PRO A 45 63.637 2.477 -7.948 1.00 0.00 C ATOM 664 O PRO A 45 62.749 2.131 -7.167 1.00 0.00 O ATOM 665 CB PRO A 45 65.022 4.479 -7.368 1.00 0.00 C ATOM 666 CG PRO A 45 64.716 5.932 -7.212 1.00 0.00 C ATOM 667 CD PRO A 45 63.216 6.086 -7.344 1.00 0.00 C ATOM 0 HA PRO A 45 64.114 3.975 -9.309 1.00 0.00 H new ATOM 0 HB2 PRO A 45 65.051 3.974 -6.402 1.00 0.00 H new ATOM 0 HB3 PRO A 45 65.994 4.327 -7.836 1.00 0.00 H new ATOM 0 HG2 PRO A 45 65.057 6.296 -6.243 1.00 0.00 H new ATOM 0 HG3 PRO A 45 65.232 6.518 -7.972 1.00 0.00 H new ATOM 0 HD2 PRO A 45 62.752 6.313 -6.384 1.00 0.00 H new ATOM 0 HD3 PRO A 45 62.956 6.898 -8.023 1.00 0.00 H new ATOM 675 N LEU A 46 64.411 1.620 -8.586 1.00 0.00 N ATOM 676 CA LEU A 46 64.271 0.204 -8.417 1.00 0.00 C ATOM 677 C LEU A 46 65.288 -0.312 -7.434 1.00 0.00 C ATOM 678 O LEU A 46 65.983 0.450 -6.762 1.00 0.00 O ATOM 679 CB LEU A 46 64.495 -0.489 -9.749 1.00 0.00 C ATOM 680 CG LEU A 46 65.847 -0.176 -10.388 1.00 0.00 C ATOM 681 CD1 LEU A 46 66.803 -1.353 -10.283 1.00 0.00 C ATOM 682 CD2 LEU A 46 65.678 0.260 -11.838 1.00 0.00 C ATOM 0 H LEU A 46 65.150 1.895 -9.233 1.00 0.00 H new ATOM 0 HA LEU A 46 63.268 -0.002 -8.044 1.00 0.00 H new ATOM 0 HB2 LEU A 46 64.412 -1.566 -9.606 1.00 0.00 H new ATOM 0 HB3 LEU A 46 63.702 -0.197 -10.438 1.00 0.00 H new ATOM 0 HG LEU A 46 66.286 0.653 -9.833 1.00 0.00 H new ATOM 0 HD11 LEU A 46 67.754 -1.092 -10.748 1.00 0.00 H new ATOM 0 HD12 LEU A 46 66.967 -1.596 -9.233 1.00 0.00 H new ATOM 0 HD13 LEU A 46 66.374 -2.216 -10.792 1.00 0.00 H new ATOM 0 HD21 LEU A 46 66.655 0.477 -12.269 1.00 0.00 H new ATOM 0 HD22 LEU A 46 65.200 -0.539 -12.405 1.00 0.00 H new ATOM 0 HD23 LEU A 46 65.057 1.155 -11.879 1.00 0.00 H new ATOM 694 N ALA A 47 65.384 -1.618 -7.385 1.00 0.00 N ATOM 695 CA ALA A 47 66.322 -2.276 -6.527 1.00 0.00 C ATOM 696 C ALA A 47 65.754 -2.491 -5.145 1.00 0.00 C ATOM 697 O ALA A 47 64.543 -2.637 -4.985 1.00 0.00 O ATOM 698 CB ALA A 47 67.630 -1.535 -6.477 1.00 0.00 C ATOM 0 H ALA A 47 64.810 -2.251 -7.942 1.00 0.00 H new ATOM 0 HA ALA A 47 66.519 -3.260 -6.952 1.00 0.00 H new ATOM 0 HB1 ALA A 47 68.321 -2.060 -5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 47 68.056 -1.481 -7.479 1.00 0.00 H new ATOM 0 HB3 ALA A 47 67.463 -0.527 -6.099 1.00 0.00 H new ATOM 704 N GLU A 48 66.625 -2.579 -4.146 1.00 0.00 N ATOM 705 CA GLU A 48 66.151 -2.855 -2.807 1.00 0.00 C ATOM 706 C GLU A 48 65.288 -4.106 -2.869 1.00 0.00 C ATOM 707 O GLU A 48 64.446 -4.344 -2.007 1.00 0.00 O ATOM 708 CB GLU A 48 65.317 -1.695 -2.286 1.00 0.00 C ATOM 709 CG GLU A 48 66.038 -0.826 -1.274 1.00 0.00 C ATOM 710 CD GLU A 48 65.115 0.179 -0.614 1.00 0.00 C ATOM 711 OE1 GLU A 48 63.917 0.205 -0.967 1.00 0.00 O ATOM 712 OE2 GLU A 48 65.589 0.939 0.256 1.00 0.00 O ATOM 0 H GLU A 48 67.635 -2.466 -4.238 1.00 0.00 H new ATOM 0 HA GLU A 48 66.999 -2.996 -2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 48 65.008 -1.075 -3.128 1.00 0.00 H new ATOM 0 HB3 GLU A 48 64.409 -2.089 -1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 48 66.487 -1.460 -0.509 1.00 0.00 H new ATOM 0 HG3 GLU A 48 66.853 -0.297 -1.768 1.00 0.00 H new ATOM 719 N ASP A 49 65.506 -4.861 -3.949 1.00 0.00 N ATOM 720 CA ASP A 49 64.780 -6.085 -4.271 1.00 0.00 C ATOM 721 C ASP A 49 64.205 -5.948 -5.678 1.00 0.00 C ATOM 722 O ASP A 49 63.072 -6.349 -5.945 1.00 0.00 O ATOM 723 CB ASP A 49 63.654 -6.374 -3.271 1.00 0.00 C ATOM 724 CG ASP A 49 64.177 -6.881 -1.940 1.00 0.00 C ATOM 725 OD1 ASP A 49 65.355 -7.296 -1.884 1.00 0.00 O ATOM 726 OD2 ASP A 49 63.413 -6.860 -0.953 1.00 0.00 O ATOM 0 H ASP A 49 66.216 -4.627 -4.643 1.00 0.00 H new ATOM 0 HA ASP A 49 65.475 -6.923 -4.215 1.00 0.00 H new ATOM 0 HB2 ASP A 49 63.075 -5.465 -3.108 1.00 0.00 H new ATOM 0 HB3 ASP A 49 62.975 -7.113 -3.696 1.00 0.00 H new ATOM 731 N CYS A 50 65.005 -5.359 -6.573 1.00 0.00 N ATOM 732 CA CYS A 50 64.592 -5.146 -7.954 1.00 0.00 C ATOM 733 C CYS A 50 64.128 -6.469 -8.555 1.00 0.00 C ATOM 734 O CYS A 50 64.930 -7.381 -8.757 1.00 0.00 O ATOM 735 CB CYS A 50 65.756 -4.532 -8.774 1.00 0.00 C ATOM 736 SG CYS A 50 66.227 -5.487 -10.278 1.00 0.00 S ATOM 0 H CYS A 50 65.944 -5.022 -6.360 1.00 0.00 H new ATOM 0 HA CYS A 50 63.760 -4.442 -7.982 1.00 0.00 H new ATOM 0 HB2 CYS A 50 65.477 -3.522 -9.074 1.00 0.00 H new ATOM 0 HB3 CYS A 50 66.630 -4.443 -8.128 1.00 0.00 H new ATOM 741 N ALA A 51 62.837 -6.576 -8.837 1.00 0.00 N ATOM 742 CA ALA A 51 62.304 -7.805 -9.408 1.00 0.00 C ATOM 743 C ALA A 51 61.230 -7.546 -10.455 1.00 0.00 C ATOM 744 O ALA A 51 60.488 -8.460 -10.810 1.00 0.00 O ATOM 745 CB ALA A 51 61.766 -8.703 -8.306 1.00 0.00 C ATOM 0 H ALA A 51 62.149 -5.839 -8.683 1.00 0.00 H new ATOM 0 HA ALA A 51 63.127 -8.307 -9.917 1.00 0.00 H new ATOM 0 HB1 ALA A 51 61.370 -9.619 -8.744 1.00 0.00 H new ATOM 0 HB2 ALA A 51 62.570 -8.950 -7.613 1.00 0.00 H new ATOM 0 HB3 ALA A 51 60.971 -8.184 -7.769 1.00 0.00 H new ATOM 751 N LEU A 52 61.149 -6.310 -10.944 1.00 0.00 N ATOM 752 CA LEU A 52 60.180 -5.925 -11.936 1.00 0.00 C ATOM 753 C LEU A 52 59.887 -4.469 -11.728 1.00 0.00 C ATOM 754 O LEU A 52 59.079 -4.126 -10.877 1.00 0.00 O ATOM 755 CB LEU A 52 58.896 -6.754 -11.829 1.00 0.00 C ATOM 756 CG LEU A 52 57.728 -6.295 -12.708 1.00 0.00 C ATOM 757 CD1 LEU A 52 58.206 -5.404 -13.849 1.00 0.00 C ATOM 758 CD2 LEU A 52 57.005 -7.506 -13.263 1.00 0.00 C ATOM 0 H LEU A 52 61.764 -5.551 -10.653 1.00 0.00 H new ATOM 0 HA LEU A 52 60.580 -6.105 -12.934 1.00 0.00 H new ATOM 0 HB2 LEU A 52 59.132 -7.788 -12.082 1.00 0.00 H new ATOM 0 HB3 LEU A 52 58.568 -6.747 -10.790 1.00 0.00 H new ATOM 0 HG LEU A 52 57.046 -5.709 -12.092 1.00 0.00 H new ATOM 0 HD11 LEU A 52 57.352 -5.096 -14.453 1.00 0.00 H new ATOM 0 HD12 LEU A 52 58.698 -4.522 -13.440 1.00 0.00 H new ATOM 0 HD13 LEU A 52 58.910 -5.956 -14.471 1.00 0.00 H new ATOM 0 HD21 LEU A 52 56.174 -7.179 -13.888 1.00 0.00 H new ATOM 0 HD22 LEU A 52 57.696 -8.100 -13.860 1.00 0.00 H new ATOM 0 HD23 LEU A 52 56.624 -8.111 -12.440 1.00 0.00 H new ATOM 770 N VAL A 53 60.580 -3.617 -12.476 1.00 0.00 N ATOM 771 CA VAL A 53 60.396 -2.183 -12.341 1.00 0.00 C ATOM 772 C VAL A 53 58.959 -1.806 -12.595 1.00 0.00 C ATOM 773 O VAL A 53 58.652 -1.190 -13.605 1.00 0.00 O ATOM 774 CB VAL A 53 61.284 -1.349 -13.277 1.00 0.00 C ATOM 775 CG1 VAL A 53 62.371 -0.624 -12.489 1.00 0.00 C ATOM 776 CG2 VAL A 53 61.852 -2.168 -14.437 1.00 0.00 C ATOM 0 H VAL A 53 61.268 -3.895 -13.176 1.00 0.00 H new ATOM 0 HA VAL A 53 60.689 -1.954 -11.316 1.00 0.00 H new ATOM 0 HB VAL A 53 60.649 -0.592 -13.738 1.00 0.00 H new ATOM 0 HG11 VAL A 53 62.987 -0.040 -13.172 1.00 0.00 H new ATOM 0 HG12 VAL A 53 61.909 0.041 -11.759 1.00 0.00 H new ATOM 0 HG13 VAL A 53 62.994 -1.354 -11.972 1.00 0.00 H new ATOM 0 HG21 VAL A 53 62.471 -1.528 -15.065 1.00 0.00 H new ATOM 0 HG22 VAL A 53 62.457 -2.985 -14.044 1.00 0.00 H new ATOM 0 HG23 VAL A 53 61.033 -2.576 -15.030 1.00 0.00 H new ATOM 786 N VAL A 54 58.114 -2.214 -11.650 1.00 0.00 N ATOM 787 CA VAL A 54 56.671 -1.985 -11.663 1.00 0.00 C ATOM 788 C VAL A 54 55.928 -3.270 -11.996 1.00 0.00 C ATOM 789 O VAL A 54 56.211 -3.927 -12.998 1.00 0.00 O ATOM 790 CB VAL A 54 56.247 -0.869 -12.623 1.00 0.00 C ATOM 791 CG1 VAL A 54 57.117 0.362 -12.396 1.00 0.00 C ATOM 792 CG2 VAL A 54 56.299 -1.358 -14.062 1.00 0.00 C ATOM 0 H VAL A 54 58.426 -2.730 -10.827 1.00 0.00 H new ATOM 0 HA VAL A 54 56.404 -1.657 -10.658 1.00 0.00 H new ATOM 0 HB VAL A 54 55.214 -0.585 -12.423 1.00 0.00 H new ATOM 0 HG11 VAL A 54 56.813 1.154 -13.080 1.00 0.00 H new ATOM 0 HG12 VAL A 54 57.000 0.706 -11.368 1.00 0.00 H new ATOM 0 HG13 VAL A 54 58.161 0.108 -12.577 1.00 0.00 H new ATOM 0 HG21 VAL A 54 55.995 -0.553 -14.731 1.00 0.00 H new ATOM 0 HG22 VAL A 54 57.316 -1.667 -14.305 1.00 0.00 H new ATOM 0 HG23 VAL A 54 55.624 -2.205 -14.183 1.00 0.00 H new ATOM 802 N LYS A 55 54.991 -3.631 -11.130 1.00 0.00 N ATOM 803 CA LYS A 55 54.213 -4.851 -11.298 1.00 0.00 C ATOM 804 C LYS A 55 52.951 -4.605 -12.120 1.00 0.00 C ATOM 805 O LYS A 55 52.487 -3.472 -12.245 1.00 0.00 O ATOM 806 CB LYS A 55 53.856 -5.428 -9.925 1.00 0.00 C ATOM 807 CG LYS A 55 53.303 -6.842 -9.977 1.00 0.00 C ATOM 808 CD LYS A 55 53.034 -7.378 -8.581 1.00 0.00 C ATOM 809 CE LYS A 55 54.327 -7.556 -7.801 1.00 0.00 C ATOM 810 NZ LYS A 55 54.216 -8.620 -6.764 1.00 0.00 N ATOM 0 H LYS A 55 54.750 -3.092 -10.298 1.00 0.00 H new ATOM 0 HA LYS A 55 54.822 -5.571 -11.846 1.00 0.00 H new ATOM 0 HB2 LYS A 55 54.746 -5.419 -9.295 1.00 0.00 H new ATOM 0 HB3 LYS A 55 53.122 -4.778 -9.448 1.00 0.00 H new ATOM 0 HG2 LYS A 55 52.381 -6.854 -10.558 1.00 0.00 H new ATOM 0 HG3 LYS A 55 54.011 -7.494 -10.490 1.00 0.00 H new ATOM 0 HD2 LYS A 55 52.375 -6.693 -8.047 1.00 0.00 H new ATOM 0 HD3 LYS A 55 52.513 -8.333 -8.650 1.00 0.00 H new ATOM 0 HE2 LYS A 55 55.134 -7.805 -8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 55 54.595 -6.613 -7.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 55.120 -8.707 -6.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 53.464 -8.371 -6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 53.986 -9.526 -7.220 1.00 0.00 H new ATOM 824 N GLN A 56 52.409 -5.684 -12.684 1.00 0.00 N ATOM 825 CA GLN A 56 51.202 -5.612 -13.504 1.00 0.00 C ATOM 826 C GLN A 56 50.225 -4.573 -12.963 1.00 0.00 C ATOM 827 O GLN A 56 50.320 -4.159 -11.808 1.00 0.00 O ATOM 828 CB GLN A 56 50.527 -6.987 -13.566 1.00 0.00 C ATOM 829 CG GLN A 56 49.994 -7.463 -12.223 1.00 0.00 C ATOM 830 CD GLN A 56 49.588 -8.925 -12.235 1.00 0.00 C ATOM 831 OE1 GLN A 56 50.255 -9.761 -12.846 1.00 0.00 O ATOM 832 NE2 GLN A 56 48.490 -9.242 -11.556 1.00 0.00 N ATOM 0 H GLN A 56 52.791 -6.625 -12.586 1.00 0.00 H new ATOM 0 HA GLN A 56 51.494 -5.308 -14.509 1.00 0.00 H new ATOM 0 HB2 GLN A 56 49.705 -6.947 -14.281 1.00 0.00 H new ATOM 0 HB3 GLN A 56 51.243 -7.717 -13.943 1.00 0.00 H new ATOM 0 HG2 GLN A 56 50.757 -7.309 -11.460 1.00 0.00 H new ATOM 0 HG3 GLN A 56 49.134 -6.854 -11.942 1.00 0.00 H new ATOM 0 HE21 GLN A 56 47.968 -8.517 -11.064 1.00 0.00 H new ATOM 0 HE22 GLN A 56 48.170 -10.210 -11.527 1.00 0.00 H new ATOM 841 N THR A 57 49.291 -4.153 -13.811 1.00 0.00 N ATOM 842 CA THR A 57 48.300 -3.153 -13.427 1.00 0.00 C ATOM 843 C THR A 57 47.631 -3.531 -12.110 1.00 0.00 C ATOM 844 O THR A 57 47.386 -2.674 -11.260 1.00 0.00 O ATOM 845 CB THR A 57 47.246 -3.005 -14.523 1.00 0.00 C ATOM 846 OG1 THR A 57 47.859 -2.927 -15.797 1.00 0.00 O ATOM 847 CG2 THR A 57 46.389 -1.772 -14.356 1.00 0.00 C ATOM 0 H THR A 57 49.200 -4.490 -14.769 1.00 0.00 H new ATOM 0 HA THR A 57 48.812 -2.200 -13.294 1.00 0.00 H new ATOM 0 HB THR A 57 46.612 -3.888 -14.441 1.00 0.00 H new ATOM 0 HG1 THR A 57 47.169 -2.834 -16.487 1.00 0.00 H new ATOM 0 HG21 THR A 57 45.660 -1.723 -15.165 1.00 0.00 H new ATOM 0 HG22 THR A 57 45.868 -1.818 -13.400 1.00 0.00 H new ATOM 0 HG23 THR A 57 47.020 -0.884 -14.382 1.00 0.00 H new ATOM 855 N GLY A 58 47.345 -4.818 -11.938 1.00 0.00 N ATOM 856 CA GLY A 58 46.718 -5.271 -10.712 1.00 0.00 C ATOM 857 C GLY A 58 47.477 -4.796 -9.493 1.00 0.00 C ATOM 858 O GLY A 58 46.918 -4.690 -8.400 1.00 0.00 O ATOM 0 H GLY A 58 47.535 -5.551 -12.622 1.00 0.00 H new ATOM 0 HA2 GLY A 58 45.693 -4.904 -10.669 1.00 0.00 H new ATOM 0 HA3 GLY A 58 46.667 -6.360 -10.709 1.00 0.00 H new ATOM 862 N ALA A 59 48.757 -4.496 -9.692 1.00 0.00 N ATOM 863 CA ALA A 59 49.613 -4.010 -8.619 1.00 0.00 C ATOM 864 C ALA A 59 49.844 -2.510 -8.765 1.00 0.00 C ATOM 865 O ALA A 59 49.829 -1.977 -9.875 1.00 0.00 O ATOM 866 CB ALA A 59 50.934 -4.759 -8.619 1.00 0.00 C ATOM 0 H ALA A 59 49.225 -4.582 -10.594 1.00 0.00 H new ATOM 0 HA ALA A 59 49.116 -4.190 -7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 59 51.564 -4.385 -7.812 1.00 0.00 H new ATOM 0 HB2 ALA A 59 50.749 -5.823 -8.472 1.00 0.00 H new ATOM 0 HB3 ALA A 59 51.439 -4.607 -9.573 1.00 0.00 H new ATOM 872 N CYS A 60 50.056 -1.830 -7.646 1.00 0.00 N ATOM 873 CA CYS A 60 50.283 -0.396 -7.667 1.00 0.00 C ATOM 874 C CYS A 60 51.589 -0.064 -8.349 1.00 0.00 C ATOM 875 O CYS A 60 51.688 0.875 -9.137 1.00 0.00 O ATOM 876 CB CYS A 60 50.292 0.163 -6.246 1.00 0.00 C ATOM 877 SG CYS A 60 51.059 1.810 -6.112 1.00 0.00 S ATOM 0 H CYS A 60 50.075 -2.249 -6.716 1.00 0.00 H new ATOM 0 HA CYS A 60 49.469 0.062 -8.229 1.00 0.00 H new ATOM 0 HB2 CYS A 60 49.267 0.219 -5.880 1.00 0.00 H new ATOM 0 HB3 CYS A 60 50.825 -0.530 -5.596 1.00 0.00 H new ATOM 882 N CYS A 61 52.587 -0.833 -8.001 1.00 0.00 N ATOM 883 CA CYS A 61 53.929 -0.637 -8.531 1.00 0.00 C ATOM 884 C CYS A 61 54.866 -1.760 -8.110 1.00 0.00 C ATOM 885 O CYS A 61 54.448 -2.730 -7.477 1.00 0.00 O ATOM 886 CB CYS A 61 54.448 0.707 -8.029 1.00 0.00 C ATOM 887 SG CYS A 61 55.621 1.550 -9.138 1.00 0.00 S ATOM 0 H CYS A 61 52.503 -1.611 -7.347 1.00 0.00 H new ATOM 0 HA CYS A 61 53.891 -0.646 -9.620 1.00 0.00 H new ATOM 0 HB2 CYS A 61 53.597 1.366 -7.858 1.00 0.00 H new ATOM 0 HB3 CYS A 61 54.931 0.554 -7.064 1.00 0.00 H new ATOM 892 N GLU A 62 56.136 -1.622 -8.480 1.00 0.00 N ATOM 893 CA GLU A 62 57.139 -2.616 -8.165 1.00 0.00 C ATOM 894 C GLU A 62 58.541 -2.028 -8.409 1.00 0.00 C ATOM 895 O GLU A 62 58.725 -0.818 -8.277 1.00 0.00 O ATOM 896 CB GLU A 62 56.870 -3.866 -9.001 1.00 0.00 C ATOM 897 CG GLU A 62 57.404 -5.164 -8.404 1.00 0.00 C ATOM 898 CD GLU A 62 56.741 -5.519 -7.089 1.00 0.00 C ATOM 899 OE1 GLU A 62 55.719 -4.888 -6.752 1.00 0.00 O ATOM 900 OE2 GLU A 62 57.255 -6.418 -6.390 1.00 0.00 O ATOM 0 H GLU A 62 56.490 -0.821 -9.003 1.00 0.00 H new ATOM 0 HA GLU A 62 57.092 -2.901 -7.114 1.00 0.00 H new ATOM 0 HB2 GLU A 62 55.794 -3.965 -9.145 1.00 0.00 H new ATOM 0 HB3 GLU A 62 57.312 -3.728 -9.988 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.250 -5.976 -9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 62 58.479 -5.073 -8.251 1.00 0.00 H new ATOM 907 N LYS A 63 59.516 -2.863 -8.770 1.00 0.00 N ATOM 908 CA LYS A 63 60.884 -2.386 -9.016 1.00 0.00 C ATOM 909 C LYS A 63 61.740 -3.345 -9.838 1.00 0.00 C ATOM 910 O LYS A 63 61.758 -4.544 -9.620 1.00 0.00 O ATOM 911 CB LYS A 63 61.606 -2.086 -7.711 1.00 0.00 C ATOM 912 CG LYS A 63 61.232 -0.746 -7.115 1.00 0.00 C ATOM 913 CD LYS A 63 62.019 -0.461 -5.847 1.00 0.00 C ATOM 914 CE LYS A 63 61.495 0.776 -5.139 1.00 0.00 C ATOM 915 NZ LYS A 63 61.175 0.508 -3.711 1.00 0.00 N ATOM 0 H LYS A 63 59.389 -3.867 -8.899 1.00 0.00 H new ATOM 0 HA LYS A 63 60.758 -1.476 -9.602 1.00 0.00 H new ATOM 0 HB2 LYS A 63 61.381 -2.872 -6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 63 62.682 -2.111 -7.885 1.00 0.00 H new ATOM 0 HG2 LYS A 63 61.418 0.042 -7.845 1.00 0.00 H new ATOM 0 HG3 LYS A 63 60.165 -0.730 -6.893 1.00 0.00 H new ATOM 0 HD2 LYS A 63 61.958 -1.319 -5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 63 63.072 -0.323 -6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 63 62.238 1.571 -5.201 1.00 0.00 H new ATOM 0 HE3 LYS A 63 60.601 1.135 -5.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 60.821 1.378 -3.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 60.447 -0.233 -3.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 62.033 0.191 -3.217 1.00 0.00 H new ATOM 929 N CYS A 64 62.467 -2.730 -10.747 1.00 0.00 N ATOM 930 CA CYS A 64 63.413 -3.365 -11.686 1.00 0.00 C ATOM 931 C CYS A 64 63.265 -4.840 -11.817 1.00 0.00 C ATOM 932 O CYS A 64 63.421 -5.597 -10.868 1.00 0.00 O ATOM 933 CB CYS A 64 64.824 -3.025 -11.306 1.00 0.00 C ATOM 934 SG CYS A 64 66.105 -4.194 -11.839 1.00 0.00 S ATOM 0 H CYS A 64 62.423 -1.718 -10.870 1.00 0.00 H new ATOM 0 HA CYS A 64 63.168 -2.956 -12.666 1.00 0.00 H new ATOM 0 HB2 CYS A 64 65.063 -2.045 -11.719 1.00 0.00 H new ATOM 0 HB3 CYS A 64 64.874 -2.935 -10.221 1.00 0.00 H new ATOM 939 N LYS A 65 62.996 -5.223 -13.028 1.00 0.00 N ATOM 940 CA LYS A 65 62.836 -6.613 -13.372 1.00 0.00 C ATOM 941 C LYS A 65 64.180 -7.256 -13.506 1.00 0.00 C ATOM 942 O LYS A 65 64.798 -7.307 -14.569 1.00 0.00 O ATOM 943 CB LYS A 65 62.069 -6.753 -14.642 1.00 0.00 C ATOM 944 CG LYS A 65 61.613 -8.173 -14.924 1.00 0.00 C ATOM 945 CD LYS A 65 60.847 -8.264 -16.231 1.00 0.00 C ATOM 946 CE LYS A 65 60.450 -9.696 -16.532 1.00 0.00 C ATOM 947 NZ LYS A 65 59.979 -9.856 -17.933 1.00 0.00 N ATOM 0 H LYS A 65 62.880 -4.582 -13.813 1.00 0.00 H new ATOM 0 HA LYS A 65 62.278 -7.110 -12.579 1.00 0.00 H new ATOM 0 HB2 LYS A 65 61.196 -6.101 -14.603 1.00 0.00 H new ATOM 0 HB3 LYS A 65 62.688 -6.408 -15.470 1.00 0.00 H new ATOM 0 HG2 LYS A 65 62.479 -8.833 -14.963 1.00 0.00 H new ATOM 0 HG3 LYS A 65 60.982 -8.522 -14.107 1.00 0.00 H new ATOM 0 HD2 LYS A 65 59.955 -7.640 -16.178 1.00 0.00 H new ATOM 0 HD3 LYS A 65 61.460 -7.875 -17.044 1.00 0.00 H new ATOM 0 HE2 LYS A 65 61.302 -10.354 -16.358 1.00 0.00 H new ATOM 0 HE3 LYS A 65 59.662 -10.006 -15.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 59.717 -10.848 -18.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 59.151 -9.248 -18.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 60.740 -9.584 -18.588 1.00 0.00 H new ATOM 961 N GLY A 66 64.604 -7.724 -12.384 1.00 0.00 N ATOM 962 CA GLY A 66 65.885 -8.379 -12.257 1.00 0.00 C ATOM 963 C GLY A 66 66.103 -9.440 -13.317 1.00 0.00 C ATOM 964 O GLY A 66 67.272 -9.774 -13.590 1.00 0.00 O ATOM 965 OXT GLY A 66 65.100 -9.939 -13.872 1.00 0.00 O ATOM 0 H GLY A 66 64.076 -7.669 -11.513 1.00 0.00 H new ATOM 0 HA2 GLY A 66 66.678 -7.634 -12.325 1.00 0.00 H new ATOM 0 HA3 GLY A 66 65.960 -8.836 -11.270 1.00 0.00 H new TER 969 GLY A 66