USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 690 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 NoAdj-H: A 7 HIS HD1 : A 7 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 9 HIS HE2 : A 9 HIS NE2 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 42 HIS HE2 : A 42 HIS NE2 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 49 HIS HE2 : A 49 HIS NE2 : A 601 ZNZN :(H bumps) USER MOD NoAdj-H: A 79 HIS HE2 : A 79 HIS NE2 : A 701 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -2.49! C(o=-2.5!,f=-2.5!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot -54:sc= 0.131 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 94:sc= 0.0538 USER MOD Single : A 27 SER OG : rot -179:sc= -1.64 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -165:sc= 0.269 (180deg=0.115) USER MOD Single : A 62 ASN : amide:sc= -0.303 X(o=-0.3,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0647 USER MOD Single : A 70 THR OG1 : rot 43:sc= 0.0396 USER MOD Single : A 71 MET CE :methyl 179:sc= -1.05 (180deg=-1.06) USER MOD Single : A 74 ASN : amide:sc= -0.406 K(o=-0.41,f=-1.9) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -16:sc= 0.833 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -19.338 43.190 -3.561 1.00 0.00 N ATOM 2 CA GLY A -6 -18.698 41.915 -3.295 1.00 0.00 C ATOM 3 C GLY A -6 -17.213 42.057 -3.026 1.00 0.00 C ATOM 4 O GLY A -6 -16.386 41.556 -3.788 1.00 0.00 O ATOM 0 H1 GLY A -6 -20.352 43.039 -3.739 1.00 0.00 H new ATOM 0 H2 GLY A -6 -19.220 43.816 -2.739 1.00 0.00 H new ATOM 0 H3 GLY A -6 -18.902 43.630 -4.396 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -19.176 41.444 -2.436 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -18.848 41.252 -4.147 1.00 0.00 H new ATOM 8 N SER A -5 -16.873 42.743 -1.939 1.00 0.00 N ATOM 9 CA SER A -5 -15.477 42.953 -1.573 1.00 0.00 C ATOM 10 C SER A -5 -14.660 41.685 -1.798 1.00 0.00 C ATOM 11 O SER A -5 -13.608 41.716 -2.436 1.00 0.00 O ATOM 12 CB SER A -5 -15.372 43.391 -0.111 1.00 0.00 C ATOM 13 OG SER A -5 -14.017 43.497 0.292 1.00 0.00 O ATOM 0 H SER A -5 -17.545 43.163 -1.297 1.00 0.00 H new ATOM 0 HA SER A -5 -15.074 43.740 -2.210 1.00 0.00 H new ATOM 0 HB2 SER A -5 -15.871 44.351 0.021 1.00 0.00 H new ATOM 0 HB3 SER A -5 -15.889 42.673 0.525 1.00 0.00 H new ATOM 0 HG SER A -5 -13.976 43.780 1.229 1.00 0.00 H new ATOM 19 N SER A -4 -15.151 40.570 -1.267 1.00 0.00 N ATOM 20 CA SER A -4 -14.465 39.291 -1.404 1.00 0.00 C ATOM 21 C SER A -4 -15.308 38.157 -0.828 1.00 0.00 C ATOM 22 O SER A -4 -16.290 38.394 -0.125 1.00 0.00 O ATOM 23 CB SER A -4 -13.106 39.339 -0.703 1.00 0.00 C ATOM 24 OG SER A -4 -13.257 39.294 0.705 1.00 0.00 O ATOM 0 H SER A -4 -16.022 40.527 -0.738 1.00 0.00 H new ATOM 0 HA SER A -4 -14.311 39.102 -2.466 1.00 0.00 H new ATOM 0 HB2 SER A -4 -12.493 38.500 -1.033 1.00 0.00 H new ATOM 0 HB3 SER A -4 -12.579 40.250 -0.987 1.00 0.00 H new ATOM 0 HG SER A -4 -12.374 39.324 1.130 1.00 0.00 H new ATOM 30 N GLY A -3 -14.916 36.923 -1.131 1.00 0.00 N ATOM 31 CA GLY A -3 -15.645 35.771 -0.635 1.00 0.00 C ATOM 32 C GLY A -3 -15.616 34.606 -1.605 1.00 0.00 C ATOM 33 O GLY A -3 -14.587 34.325 -2.218 1.00 0.00 O ATOM 0 H GLY A -3 -14.107 36.701 -1.711 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -15.218 35.457 0.318 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -16.680 36.055 -0.443 1.00 0.00 H new ATOM 37 N SER A -2 -16.749 33.925 -1.743 1.00 0.00 N ATOM 38 CA SER A -2 -16.848 32.780 -2.640 1.00 0.00 C ATOM 39 C SER A -2 -15.907 31.662 -2.201 1.00 0.00 C ATOM 40 O SER A -2 -15.255 31.024 -3.027 1.00 0.00 O ATOM 41 CB SER A -2 -16.524 33.200 -4.075 1.00 0.00 C ATOM 42 OG SER A -2 -16.949 32.217 -5.003 1.00 0.00 O ATOM 0 H SER A -2 -17.611 34.146 -1.245 1.00 0.00 H new ATOM 0 HA SER A -2 -17.871 32.407 -2.600 1.00 0.00 H new ATOM 0 HB2 SER A -2 -17.011 34.149 -4.298 1.00 0.00 H new ATOM 0 HB3 SER A -2 -15.451 33.360 -4.177 1.00 0.00 H new ATOM 0 HG SER A -2 -16.565 31.349 -4.759 1.00 0.00 H new ATOM 48 N SER A -1 -15.843 31.431 -0.894 1.00 0.00 N ATOM 49 CA SER A -1 -14.979 30.393 -0.343 1.00 0.00 C ATOM 50 C SER A -1 -15.784 29.144 0.002 1.00 0.00 C ATOM 51 O SER A -1 -16.861 29.228 0.591 1.00 0.00 O ATOM 52 CB SER A -1 -14.258 30.910 0.904 1.00 0.00 C ATOM 53 OG SER A -1 -13.212 31.801 0.556 1.00 0.00 O ATOM 0 H SER A -1 -16.379 31.948 -0.197 1.00 0.00 H new ATOM 0 HA SER A -1 -14.239 30.130 -1.099 1.00 0.00 H new ATOM 0 HB2 SER A -1 -14.970 31.417 1.556 1.00 0.00 H new ATOM 0 HB3 SER A -1 -13.852 30.070 1.468 1.00 0.00 H new ATOM 0 HG SER A -1 -12.768 32.118 1.370 1.00 0.00 H new ATOM 59 N GLY A 0 -15.251 27.983 -0.369 1.00 0.00 N ATOM 60 CA GLY A 0 -15.932 26.732 -0.091 1.00 0.00 C ATOM 61 C GLY A 0 -14.988 25.546 -0.091 1.00 0.00 C ATOM 62 O GLY A 0 -14.484 25.145 -1.140 1.00 0.00 O ATOM 0 H GLY A 0 -14.360 27.887 -0.857 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -16.427 26.799 0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -16.711 26.572 -0.836 1.00 0.00 H new ATOM 66 N MET A 1 -14.746 24.984 1.089 1.00 0.00 N ATOM 67 CA MET A 1 -13.855 23.837 1.220 1.00 0.00 C ATOM 68 C MET A 1 -14.494 22.748 2.076 1.00 0.00 C ATOM 69 O MET A 1 -15.170 23.038 3.062 1.00 0.00 O ATOM 70 CB MET A 1 -12.522 24.268 1.834 1.00 0.00 C ATOM 71 CG MET A 1 -11.525 24.794 0.815 1.00 0.00 C ATOM 72 SD MET A 1 -10.974 23.522 -0.339 1.00 0.00 S ATOM 73 CE MET A 1 -9.792 24.443 -1.319 1.00 0.00 C ATOM 0 H MET A 1 -15.154 25.304 1.967 1.00 0.00 H new ATOM 0 HA MET A 1 -13.674 23.433 0.224 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.708 25.040 2.580 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.081 23.419 2.357 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.979 25.613 0.257 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.661 25.205 1.337 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.363 23.790 -2.079 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.294 25.281 -1.802 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.998 24.819 -0.673 1.00 0.00 H new ATOM 83 N GLU A 2 -14.276 21.494 1.690 1.00 0.00 N ATOM 84 CA GLU A 2 -14.832 20.363 2.423 1.00 0.00 C ATOM 85 C GLU A 2 -13.893 19.161 2.363 1.00 0.00 C ATOM 86 O GLU A 2 -13.429 18.777 1.290 1.00 0.00 O ATOM 87 CB GLU A 2 -16.201 19.983 1.855 1.00 0.00 C ATOM 88 CG GLU A 2 -16.158 19.555 0.398 1.00 0.00 C ATOM 89 CD GLU A 2 -15.652 18.136 0.221 1.00 0.00 C ATOM 90 OE1 GLU A 2 -15.987 17.277 1.063 1.00 0.00 O ATOM 91 OE2 GLU A 2 -14.921 17.886 -0.760 1.00 0.00 O ATOM 0 H GLU A 2 -13.719 21.237 0.875 1.00 0.00 H new ATOM 0 HA GLU A 2 -14.948 20.660 3.465 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -16.620 19.172 2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -16.875 20.833 1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -17.157 19.637 -0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -15.516 20.238 -0.159 1.00 0.00 H new ATOM 98 N GLU A 3 -13.618 18.574 3.524 1.00 0.00 N ATOM 99 CA GLU A 3 -12.734 17.418 3.603 1.00 0.00 C ATOM 100 C GLU A 3 -13.523 16.149 3.913 1.00 0.00 C ATOM 101 O GLU A 3 -13.892 15.901 5.060 1.00 0.00 O ATOM 102 CB GLU A 3 -11.663 17.639 4.674 1.00 0.00 C ATOM 103 CG GLU A 3 -10.412 18.324 4.151 1.00 0.00 C ATOM 104 CD GLU A 3 -9.410 17.344 3.572 1.00 0.00 C ATOM 105 OE1 GLU A 3 -9.266 16.240 4.137 1.00 0.00 O ATOM 106 OE2 GLU A 3 -8.769 17.682 2.555 1.00 0.00 O ATOM 0 H GLU A 3 -13.994 18.880 4.421 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.250 17.297 2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.086 18.239 5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.387 16.676 5.104 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -10.691 19.047 3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.942 18.882 4.961 1.00 0.00 H new ATOM 113 N GLU A 4 -13.778 15.351 2.880 1.00 0.00 N ATOM 114 CA GLU A 4 -14.525 14.110 3.042 1.00 0.00 C ATOM 115 C GLU A 4 -13.983 13.297 4.215 1.00 0.00 C ATOM 116 O GLU A 4 -12.791 12.992 4.275 1.00 0.00 O ATOM 117 CB GLU A 4 -14.460 13.279 1.758 1.00 0.00 C ATOM 118 CG GLU A 4 -15.082 11.899 1.894 1.00 0.00 C ATOM 119 CD GLU A 4 -15.322 11.233 0.553 1.00 0.00 C ATOM 120 OE1 GLU A 4 -16.056 11.811 -0.275 1.00 0.00 O ATOM 121 OE2 GLU A 4 -14.774 10.132 0.333 1.00 0.00 O ATOM 0 H GLU A 4 -13.478 15.542 1.924 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.564 14.366 3.249 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.967 13.820 0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -13.418 13.171 1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.429 11.268 2.497 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.028 11.982 2.429 1.00 0.00 H new ATOM 128 N LEU A 5 -14.866 12.951 5.144 1.00 0.00 N ATOM 129 CA LEU A 5 -14.478 12.174 6.317 1.00 0.00 C ATOM 130 C LEU A 5 -14.710 10.685 6.084 1.00 0.00 C ATOM 131 O LEU A 5 -15.318 10.290 5.090 1.00 0.00 O ATOM 132 CB LEU A 5 -15.264 12.639 7.544 1.00 0.00 C ATOM 133 CG LEU A 5 -14.667 13.815 8.318 1.00 0.00 C ATOM 134 CD1 LEU A 5 -15.674 14.365 9.315 1.00 0.00 C ATOM 135 CD2 LEU A 5 -13.388 13.393 9.027 1.00 0.00 C ATOM 0 H LEU A 5 -15.856 13.196 5.109 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.414 12.334 6.493 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.269 12.913 7.224 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -15.366 11.795 8.226 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.422 14.605 7.608 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -15.231 15.201 9.856 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -16.562 14.707 8.784 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -15.952 13.582 10.021 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -12.977 14.243 9.573 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -13.608 12.586 9.725 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -12.661 13.048 8.292 1.00 0.00 H new ATOM 147 N GLN A 6 -14.224 9.864 7.010 1.00 0.00 N ATOM 148 CA GLN A 6 -14.380 8.418 6.906 1.00 0.00 C ATOM 149 C GLN A 6 -15.854 8.026 6.929 1.00 0.00 C ATOM 150 O GLN A 6 -16.736 8.886 6.938 1.00 0.00 O ATOM 151 CB GLN A 6 -13.637 7.720 8.046 1.00 0.00 C ATOM 152 CG GLN A 6 -12.129 7.906 7.993 1.00 0.00 C ATOM 153 CD GLN A 6 -11.713 9.353 8.168 1.00 0.00 C ATOM 154 OE1 GLN A 6 -11.221 9.987 7.234 1.00 0.00 O ATOM 155 NE2 GLN A 6 -11.910 9.885 9.369 1.00 0.00 N ATOM 0 H GLN A 6 -13.719 10.175 7.840 1.00 0.00 H new ATOM 0 HA GLN A 6 -13.953 8.100 5.955 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.008 8.101 8.997 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -13.865 6.654 8.018 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.665 7.302 8.772 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.755 7.537 7.038 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -12.321 9.323 10.115 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -11.651 10.855 9.546 1.00 0.00 H new ATOM 164 N HIS A 7 -16.115 6.723 6.939 1.00 0.00 N ATOM 165 CA HIS A 7 -17.483 6.218 6.962 1.00 0.00 C ATOM 166 C HIS A 7 -17.909 5.865 8.384 1.00 0.00 C ATOM 167 O HIS A 7 -17.171 5.208 9.118 1.00 0.00 O ATOM 168 CB HIS A 7 -17.611 4.989 6.060 1.00 0.00 C ATOM 169 CG HIS A 7 -17.690 5.322 4.602 1.00 0.00 C ATOM 170 ND1 HIS A 7 -17.022 4.609 3.629 1.00 0.00 N ATOM 171 CD2 HIS A 7 -18.366 6.299 3.952 1.00 0.00 C ATOM 172 CE1 HIS A 7 -17.282 5.133 2.445 1.00 0.00 C ATOM 173 NE2 HIS A 7 -18.096 6.160 2.613 1.00 0.00 N ATOM 0 H HIS A 7 -15.398 5.998 6.932 1.00 0.00 H new ATOM 0 HA HIS A 7 -18.140 7.004 6.589 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -16.756 4.334 6.229 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -18.502 4.430 6.345 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -19.000 7.048 4.403 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -16.895 4.782 1.500 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -18.464 6.753 1.869 1.00 0.00 H new ATOM 181 N SER A 8 -19.103 6.308 8.766 1.00 0.00 N ATOM 182 CA SER A 8 -19.624 6.043 10.102 1.00 0.00 C ATOM 183 C SER A 8 -19.382 4.591 10.502 1.00 0.00 C ATOM 184 O SER A 8 -19.157 4.287 11.673 1.00 0.00 O ATOM 185 CB SER A 8 -21.121 6.357 10.159 1.00 0.00 C ATOM 186 OG SER A 8 -21.369 7.717 9.846 1.00 0.00 O ATOM 0 H SER A 8 -19.727 6.852 8.170 1.00 0.00 H new ATOM 0 HA SER A 8 -19.097 6.688 10.805 1.00 0.00 H new ATOM 0 HB2 SER A 8 -21.657 5.716 9.459 1.00 0.00 H new ATOM 0 HB3 SER A 8 -21.505 6.134 11.154 1.00 0.00 H new ATOM 0 HG SER A 8 -22.332 7.892 9.888 1.00 0.00 H new ATOM 192 N HIS A 9 -19.430 3.697 9.519 1.00 0.00 N ATOM 193 CA HIS A 9 -19.216 2.276 9.767 1.00 0.00 C ATOM 194 C HIS A 9 -17.730 1.932 9.710 1.00 0.00 C ATOM 195 O HIS A 9 -17.118 1.607 10.727 1.00 0.00 O ATOM 196 CB HIS A 9 -19.985 1.436 8.746 1.00 0.00 C ATOM 197 CG HIS A 9 -19.455 0.044 8.595 1.00 0.00 C ATOM 198 ND1 HIS A 9 -19.916 -1.022 9.337 1.00 0.00 N ATOM 199 CD2 HIS A 9 -18.497 -0.455 7.778 1.00 0.00 C ATOM 200 CE1 HIS A 9 -19.264 -2.116 8.986 1.00 0.00 C ATOM 201 NE2 HIS A 9 -18.398 -1.799 8.041 1.00 0.00 N ATOM 0 H HIS A 9 -19.615 3.932 8.544 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.586 2.048 10.766 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -21.032 1.387 9.043 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.952 1.936 7.778 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -20.647 -0.974 10.047 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -17.919 0.101 7.055 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -19.414 -3.102 9.401 1.00 0.00 H new ATOM 209 N CYS A 10 -17.157 2.006 8.514 1.00 0.00 N ATOM 210 CA CYS A 10 -15.744 1.702 8.323 1.00 0.00 C ATOM 211 C CYS A 10 -14.907 2.263 9.469 1.00 0.00 C ATOM 212 O CYS A 10 -14.001 1.600 9.973 1.00 0.00 O ATOM 213 CB CYS A 10 -15.253 2.274 6.991 1.00 0.00 C ATOM 214 SG CYS A 10 -16.271 1.798 5.557 1.00 0.00 S ATOM 0 H CYS A 10 -17.650 2.274 7.662 1.00 0.00 H new ATOM 0 HA CYS A 10 -15.630 0.618 8.310 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -15.229 3.361 7.061 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.228 1.943 6.821 1.00 0.00 H new ATOM 219 N VAL A 11 -15.217 3.490 9.875 1.00 0.00 N ATOM 220 CA VAL A 11 -14.496 4.141 10.962 1.00 0.00 C ATOM 221 C VAL A 11 -14.233 3.169 12.107 1.00 0.00 C ATOM 222 O VAL A 11 -13.145 3.149 12.680 1.00 0.00 O ATOM 223 CB VAL A 11 -15.273 5.356 11.503 1.00 0.00 C ATOM 224 CG1 VAL A 11 -15.348 6.453 10.452 1.00 0.00 C ATOM 225 CG2 VAL A 11 -16.665 4.941 11.953 1.00 0.00 C ATOM 0 H VAL A 11 -15.963 4.053 9.467 1.00 0.00 H new ATOM 0 HA VAL A 11 -13.545 4.481 10.552 1.00 0.00 H new ATOM 0 HB VAL A 11 -14.740 5.751 12.368 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -15.900 7.303 10.852 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.340 6.769 10.184 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -15.857 6.074 9.566 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -17.200 5.812 12.332 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -17.210 4.520 11.108 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -16.584 4.193 12.742 1.00 0.00 H new ATOM 235 N ASN A 12 -15.239 2.363 12.434 1.00 0.00 N ATOM 236 CA ASN A 12 -15.116 1.387 13.511 1.00 0.00 C ATOM 237 C ASN A 12 -15.168 -0.036 12.964 1.00 0.00 C ATOM 238 O ASN A 12 -15.782 -0.921 13.561 1.00 0.00 O ATOM 239 CB ASN A 12 -16.230 1.590 14.540 1.00 0.00 C ATOM 240 CG ASN A 12 -16.094 2.902 15.288 1.00 0.00 C ATOM 241 OD1 ASN A 12 -14.989 3.411 15.476 1.00 0.00 O ATOM 242 ND2 ASN A 12 -17.221 3.457 15.719 1.00 0.00 N ATOM 0 H ASN A 12 -16.147 2.367 11.969 1.00 0.00 H new ATOM 0 HA ASN A 12 -14.151 1.536 13.995 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -17.196 1.561 14.036 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -16.217 0.765 15.253 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -17.192 4.340 16.228 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -18.115 3.000 15.541 1.00 0.00 H new ATOM 249 N CYS A 13 -14.518 -0.250 11.825 1.00 0.00 N ATOM 250 CA CYS A 13 -14.488 -1.565 11.196 1.00 0.00 C ATOM 251 C CYS A 13 -13.053 -2.056 11.029 1.00 0.00 C ATOM 252 O CYS A 13 -12.235 -1.406 10.377 1.00 0.00 O ATOM 253 CB CYS A 13 -15.184 -1.518 9.834 1.00 0.00 C ATOM 254 SG CYS A 13 -15.314 -3.137 9.009 1.00 0.00 S ATOM 0 H CYS A 13 -14.004 0.471 11.318 1.00 0.00 H new ATOM 0 HA CYS A 13 -15.019 -2.262 11.844 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -16.185 -1.107 9.964 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -14.640 -0.833 9.183 1.00 0.00 H new ATOM 259 N VAL A 14 -12.754 -3.207 11.623 1.00 0.00 N ATOM 260 CA VAL A 14 -11.419 -3.786 11.539 1.00 0.00 C ATOM 261 C VAL A 14 -11.453 -5.150 10.858 1.00 0.00 C ATOM 262 O VAL A 14 -10.574 -5.479 10.062 1.00 0.00 O ATOM 263 CB VAL A 14 -10.785 -3.938 12.935 1.00 0.00 C ATOM 264 CG1 VAL A 14 -10.589 -2.576 13.583 1.00 0.00 C ATOM 265 CG2 VAL A 14 -11.640 -4.838 13.814 1.00 0.00 C ATOM 0 H VAL A 14 -13.419 -3.757 12.168 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.814 -3.101 10.945 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.806 -4.404 12.822 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.140 -2.703 14.568 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.932 -1.968 12.961 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.554 -2.079 13.685 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.177 -4.934 14.796 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -12.634 -4.403 13.922 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -11.723 -5.823 13.354 1.00 0.00 H new ATOM 275 N SER A 15 -12.474 -5.939 11.176 1.00 0.00 N ATOM 276 CA SER A 15 -12.622 -7.269 10.596 1.00 0.00 C ATOM 277 C SER A 15 -12.460 -7.222 9.080 1.00 0.00 C ATOM 278 O SER A 15 -13.030 -6.360 8.410 1.00 0.00 O ATOM 279 CB SER A 15 -13.988 -7.856 10.957 1.00 0.00 C ATOM 280 OG SER A 15 -13.929 -9.270 11.038 1.00 0.00 O ATOM 0 H SER A 15 -13.211 -5.681 11.832 1.00 0.00 H new ATOM 0 HA SER A 15 -11.840 -7.907 11.007 1.00 0.00 H new ATOM 0 HB2 SER A 15 -14.323 -7.447 11.910 1.00 0.00 H new ATOM 0 HB3 SER A 15 -14.723 -7.562 10.208 1.00 0.00 H new ATOM 0 HG SER A 15 -14.813 -9.621 11.272 1.00 0.00 H new ATOM 286 N ARG A 16 -11.680 -8.155 8.545 1.00 0.00 N ATOM 287 CA ARG A 16 -11.442 -8.221 7.109 1.00 0.00 C ATOM 288 C ARG A 16 -12.650 -8.805 6.383 1.00 0.00 C ATOM 289 O ARG A 16 -13.057 -8.306 5.333 1.00 0.00 O ATOM 290 CB ARG A 16 -10.200 -9.064 6.814 1.00 0.00 C ATOM 291 CG ARG A 16 -10.278 -10.477 7.370 1.00 0.00 C ATOM 292 CD ARG A 16 -8.901 -11.007 7.739 1.00 0.00 C ATOM 293 NE ARG A 16 -8.967 -12.350 8.310 1.00 0.00 N ATOM 294 CZ ARG A 16 -9.086 -13.453 7.581 1.00 0.00 C ATOM 295 NH1 ARG A 16 -9.152 -13.374 6.259 1.00 0.00 N ATOM 296 NH2 ARG A 16 -9.139 -14.639 8.174 1.00 0.00 N ATOM 0 H ARG A 16 -11.202 -8.876 9.085 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.278 -7.206 6.747 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.053 -9.115 5.735 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.325 -8.566 7.232 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.921 -10.488 8.250 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.737 -11.135 6.632 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.268 -11.021 6.852 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.432 -10.331 8.454 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.919 -12.445 9.324 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.111 -12.464 5.800 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.243 -14.223 5.701 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.088 -14.704 9.191 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.230 -15.486 7.613 1.00 0.00 H new ATOM 310 N ARG A 17 -13.219 -9.864 6.949 1.00 0.00 N ATOM 311 CA ARG A 17 -14.380 -10.516 6.356 1.00 0.00 C ATOM 312 C ARG A 17 -15.665 -9.779 6.722 1.00 0.00 C ATOM 313 O ARG A 17 -16.686 -10.399 7.020 1.00 0.00 O ATOM 314 CB ARG A 17 -14.465 -11.972 6.818 1.00 0.00 C ATOM 315 CG ARG A 17 -13.355 -12.852 6.269 1.00 0.00 C ATOM 316 CD ARG A 17 -13.471 -13.020 4.762 1.00 0.00 C ATOM 317 NE ARG A 17 -14.722 -13.668 4.378 1.00 0.00 N ATOM 318 CZ ARG A 17 -15.266 -13.559 3.171 1.00 0.00 C ATOM 319 NH1 ARG A 17 -14.671 -12.832 2.236 1.00 0.00 N ATOM 320 NH2 ARG A 17 -16.407 -14.179 2.898 1.00 0.00 N ATOM 0 H ARG A 17 -12.895 -10.289 7.818 1.00 0.00 H new ATOM 0 HA ARG A 17 -14.264 -10.492 5.272 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -14.434 -12.001 7.907 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -15.427 -12.385 6.515 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.387 -12.414 6.514 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.393 -13.830 6.749 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.407 -12.043 4.282 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.630 -13.610 4.397 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.205 -14.235 5.075 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.793 -12.355 2.443 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.091 -12.750 1.310 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.867 -14.740 3.615 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.824 -14.095 1.971 1.00 0.00 H new ATOM 334 N CYS A 18 -15.606 -8.452 6.697 1.00 0.00 N ATOM 335 CA CYS A 18 -16.764 -7.629 7.027 1.00 0.00 C ATOM 336 C CYS A 18 -17.863 -7.791 5.981 1.00 0.00 C ATOM 337 O CYS A 18 -17.685 -7.430 4.818 1.00 0.00 O ATOM 338 CB CYS A 18 -16.357 -6.157 7.131 1.00 0.00 C ATOM 339 SG CYS A 18 -17.710 -4.986 6.791 1.00 0.00 S ATOM 0 H CYS A 18 -14.769 -7.923 6.452 1.00 0.00 H new ATOM 0 HA CYS A 18 -17.152 -7.961 7.990 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -15.970 -5.968 8.132 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -15.542 -5.966 6.433 1.00 0.00 H new ATOM 344 N MET A 19 -18.999 -8.336 6.404 1.00 0.00 N ATOM 345 CA MET A 19 -20.127 -8.545 5.504 1.00 0.00 C ATOM 346 C MET A 19 -21.239 -7.540 5.785 1.00 0.00 C ATOM 347 O MET A 19 -22.414 -7.902 5.862 1.00 0.00 O ATOM 348 CB MET A 19 -20.664 -9.970 5.647 1.00 0.00 C ATOM 349 CG MET A 19 -21.224 -10.273 7.028 1.00 0.00 C ATOM 350 SD MET A 19 -22.036 -11.881 7.111 1.00 0.00 S ATOM 351 CE MET A 19 -20.644 -12.943 7.491 1.00 0.00 C ATOM 0 H MET A 19 -19.163 -8.641 7.364 1.00 0.00 H new ATOM 0 HA MET A 19 -19.777 -8.397 4.482 1.00 0.00 H new ATOM 0 HB2 MET A 19 -21.445 -10.132 4.904 1.00 0.00 H new ATOM 0 HB3 MET A 19 -19.863 -10.675 5.426 1.00 0.00 H new ATOM 0 HG2 MET A 19 -20.416 -10.240 7.759 1.00 0.00 H new ATOM 0 HG3 MET A 19 -21.936 -9.496 7.305 1.00 0.00 H new ATOM 0 HE1 MET A 19 -20.986 -13.975 7.575 1.00 0.00 H new ATOM 0 HE2 MET A 19 -19.902 -12.870 6.695 1.00 0.00 H new ATOM 0 HE3 MET A 19 -20.196 -12.632 8.435 1.00 0.00 H new ATOM 361 N THR A 20 -20.862 -6.274 5.937 1.00 0.00 N ATOM 362 CA THR A 20 -21.827 -5.216 6.210 1.00 0.00 C ATOM 363 C THR A 20 -22.335 -4.588 4.918 1.00 0.00 C ATOM 364 O THR A 20 -21.557 -4.304 4.007 1.00 0.00 O ATOM 365 CB THR A 20 -21.218 -4.115 7.099 1.00 0.00 C ATOM 366 OG1 THR A 20 -20.805 -4.670 8.352 1.00 0.00 O ATOM 367 CG2 THR A 20 -22.221 -2.997 7.338 1.00 0.00 C ATOM 0 H THR A 20 -19.895 -5.957 5.876 1.00 0.00 H new ATOM 0 HA THR A 20 -22.661 -5.678 6.738 1.00 0.00 H new ATOM 0 HB THR A 20 -20.352 -3.700 6.584 1.00 0.00 H new ATOM 0 HG1 THR A 20 -19.858 -4.919 8.303 1.00 0.00 H new ATOM 0 HG21 THR A 20 -21.769 -2.231 7.968 1.00 0.00 H new ATOM 0 HG22 THR A 20 -22.510 -2.557 6.383 1.00 0.00 H new ATOM 0 HG23 THR A 20 -23.104 -3.400 7.834 1.00 0.00 H new ATOM 375 N ARG A 21 -23.644 -4.372 4.844 1.00 0.00 N ATOM 376 CA ARG A 21 -24.256 -3.777 3.662 1.00 0.00 C ATOM 377 C ARG A 21 -23.655 -2.404 3.372 1.00 0.00 C ATOM 378 O ARG A 21 -23.715 -1.488 4.193 1.00 0.00 O ATOM 379 CB ARG A 21 -25.769 -3.654 3.851 1.00 0.00 C ATOM 380 CG ARG A 21 -26.525 -3.399 2.558 1.00 0.00 C ATOM 381 CD ARG A 21 -28.022 -3.287 2.801 1.00 0.00 C ATOM 382 NE ARG A 21 -28.690 -4.583 2.712 1.00 0.00 N ATOM 383 CZ ARG A 21 -29.070 -5.137 1.566 1.00 0.00 C ATOM 384 NH1 ARG A 21 -28.848 -4.511 0.418 1.00 0.00 N ATOM 385 NH2 ARG A 21 -29.672 -6.319 1.566 1.00 0.00 N ATOM 0 H ARG A 21 -24.302 -4.600 5.589 1.00 0.00 H new ATOM 0 HA ARG A 21 -24.056 -4.430 2.812 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -26.145 -4.569 4.308 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -25.975 -2.842 4.549 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -26.160 -2.481 2.097 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -26.329 -4.208 1.855 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -28.198 -2.856 3.786 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -28.457 -2.604 2.072 1.00 0.00 H new ATOM 0 HE ARG A 21 -28.875 -5.090 3.577 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -28.385 -3.602 0.414 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -29.141 -4.938 -0.461 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -29.844 -6.804 2.447 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -29.963 -6.743 0.685 1.00 0.00 H new ATOM 399 N PRO A 22 -23.063 -2.257 2.178 1.00 0.00 N ATOM 400 CA PRO A 22 -22.440 -1.000 1.753 1.00 0.00 C ATOM 401 C PRO A 22 -23.468 0.095 1.487 1.00 0.00 C ATOM 402 O PRO A 22 -24.204 0.041 0.502 1.00 0.00 O ATOM 403 CB PRO A 22 -21.719 -1.382 0.458 1.00 0.00 C ATOM 404 CG PRO A 22 -22.469 -2.560 -0.060 1.00 0.00 C ATOM 405 CD PRO A 22 -22.955 -3.307 1.151 1.00 0.00 C ATOM 0 HA PRO A 22 -21.781 -0.592 2.519 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -21.729 -0.560 -0.258 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -20.674 -1.629 0.645 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -23.304 -2.246 -0.686 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.828 -3.191 -0.676 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -23.915 -3.790 0.967 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -22.256 -4.089 1.448 1.00 0.00 H new ATOM 413 N GLU A 23 -23.511 1.087 2.371 1.00 0.00 N ATOM 414 CA GLU A 23 -24.449 2.194 2.230 1.00 0.00 C ATOM 415 C GLU A 23 -23.794 3.376 1.522 1.00 0.00 C ATOM 416 O GLU A 23 -22.572 3.454 1.390 1.00 0.00 O ATOM 417 CB GLU A 23 -24.967 2.631 3.603 1.00 0.00 C ATOM 418 CG GLU A 23 -26.279 1.974 3.996 1.00 0.00 C ATOM 419 CD GLU A 23 -27.212 1.782 2.815 1.00 0.00 C ATOM 420 OE1 GLU A 23 -27.120 0.727 2.153 1.00 0.00 O ATOM 421 OE2 GLU A 23 -28.033 2.685 2.554 1.00 0.00 O ATOM 0 H GLU A 23 -22.908 1.146 3.191 1.00 0.00 H new ATOM 0 HA GLU A 23 -25.288 1.850 1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -24.214 2.399 4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -25.097 3.713 3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -26.074 1.006 4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -26.775 2.584 4.751 1.00 0.00 H new ATOM 428 N PRO A 24 -24.625 4.319 1.054 1.00 0.00 N ATOM 429 CA PRO A 24 -24.150 5.515 0.351 1.00 0.00 C ATOM 430 C PRO A 24 -23.418 6.480 1.278 1.00 0.00 C ATOM 431 O PRO A 24 -23.079 7.596 0.886 1.00 0.00 O ATOM 432 CB PRO A 24 -25.438 6.152 -0.176 1.00 0.00 C ATOM 433 CG PRO A 24 -26.503 5.675 0.750 1.00 0.00 C ATOM 434 CD PRO A 24 -26.092 4.292 1.176 1.00 0.00 C ATOM 0 HA PRO A 24 -23.430 5.270 -0.430 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -25.371 7.240 -0.175 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -25.640 5.846 -1.203 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -26.597 6.337 1.611 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -27.473 5.658 0.254 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -26.406 4.076 2.197 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -26.534 3.527 0.538 1.00 0.00 H new ATOM 442 N GLY A 25 -23.177 6.042 2.510 1.00 0.00 N ATOM 443 CA GLY A 25 -22.487 6.880 3.473 1.00 0.00 C ATOM 444 C GLY A 25 -22.044 6.108 4.700 1.00 0.00 C ATOM 445 O GLY A 25 -20.869 6.137 5.069 1.00 0.00 O ATOM 0 H GLY A 25 -23.447 5.122 2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -21.616 7.333 2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -23.144 7.695 3.778 1.00 0.00 H new ATOM 449 N ILE A 26 -22.985 5.419 5.335 1.00 0.00 N ATOM 450 CA ILE A 26 -22.685 4.637 6.528 1.00 0.00 C ATOM 451 C ILE A 26 -21.485 3.725 6.301 1.00 0.00 C ATOM 452 O ILE A 26 -20.458 3.856 6.966 1.00 0.00 O ATOM 453 CB ILE A 26 -23.891 3.782 6.959 1.00 0.00 C ATOM 454 CG1 ILE A 26 -24.931 4.649 7.673 1.00 0.00 C ATOM 455 CG2 ILE A 26 -23.438 2.641 7.858 1.00 0.00 C ATOM 456 CD1 ILE A 26 -25.593 5.665 6.769 1.00 0.00 C ATOM 0 H ILE A 26 -23.962 5.386 5.044 1.00 0.00 H new ATOM 0 HA ILE A 26 -22.452 5.348 7.320 1.00 0.00 H new ATOM 0 HB ILE A 26 -24.351 3.356 6.068 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -25.697 4.004 8.103 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -24.451 5.170 8.502 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -24.302 2.046 8.154 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -22.731 2.011 7.318 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -22.956 3.048 8.747 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -26.318 6.244 7.341 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -24.837 6.334 6.359 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -26.102 5.150 5.954 1.00 0.00 H new ATOM 468 N SER A 27 -21.621 2.802 5.354 1.00 0.00 N ATOM 469 CA SER A 27 -20.548 1.866 5.039 1.00 0.00 C ATOM 470 C SER A 27 -20.368 1.735 3.530 1.00 0.00 C ATOM 471 O SER A 27 -21.274 2.042 2.755 1.00 0.00 O ATOM 472 CB SER A 27 -20.843 0.495 5.650 1.00 0.00 C ATOM 473 OG SER A 27 -19.790 -0.417 5.389 1.00 0.00 O ATOM 0 H SER A 27 -22.464 2.682 4.792 1.00 0.00 H new ATOM 0 HA SER A 27 -19.623 2.254 5.466 1.00 0.00 H new ATOM 0 HB2 SER A 27 -20.983 0.596 6.726 1.00 0.00 H new ATOM 0 HB3 SER A 27 -21.776 0.105 5.242 1.00 0.00 H new ATOM 0 HG SER A 27 -20.009 -1.290 5.778 1.00 0.00 H new ATOM 479 N CYS A 28 -19.190 1.276 3.119 1.00 0.00 N ATOM 480 CA CYS A 28 -18.888 1.103 1.703 1.00 0.00 C ATOM 481 C CYS A 28 -18.440 -0.326 1.413 1.00 0.00 C ATOM 482 O CYS A 28 -18.216 -1.116 2.330 1.00 0.00 O ATOM 483 CB CYS A 28 -17.801 2.088 1.268 1.00 0.00 C ATOM 484 SG CYS A 28 -16.141 1.691 1.903 1.00 0.00 S ATOM 0 H CYS A 28 -18.429 1.017 3.747 1.00 0.00 H new ATOM 0 HA CYS A 28 -19.798 1.302 1.136 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.765 2.115 0.179 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -18.077 3.088 1.603 1.00 0.00 H new ATOM 489 N ASP A 29 -18.311 -0.651 0.131 1.00 0.00 N ATOM 490 CA ASP A 29 -17.889 -1.985 -0.281 1.00 0.00 C ATOM 491 C ASP A 29 -16.476 -2.283 0.210 1.00 0.00 C ATOM 492 O ASP A 29 -15.710 -1.370 0.523 1.00 0.00 O ATOM 493 CB ASP A 29 -17.951 -2.115 -1.804 1.00 0.00 C ATOM 494 CG ASP A 29 -19.283 -1.663 -2.369 1.00 0.00 C ATOM 495 OD1 ASP A 29 -19.688 -0.515 -2.090 1.00 0.00 O ATOM 496 OD2 ASP A 29 -19.921 -2.458 -3.092 1.00 0.00 O ATOM 0 H ASP A 29 -18.493 -0.009 -0.641 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.570 -2.709 0.166 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.151 -1.523 -2.249 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.774 -3.153 -2.085 1.00 0.00 H new ATOM 501 N LEU A 30 -16.136 -3.565 0.276 1.00 0.00 N ATOM 502 CA LEU A 30 -14.815 -3.985 0.730 1.00 0.00 C ATOM 503 C LEU A 30 -13.930 -4.371 -0.451 1.00 0.00 C ATOM 504 O LEU A 30 -14.415 -4.881 -1.462 1.00 0.00 O ATOM 505 CB LEU A 30 -14.936 -5.163 1.698 1.00 0.00 C ATOM 506 CG LEU A 30 -15.065 -4.805 3.179 1.00 0.00 C ATOM 507 CD1 LEU A 30 -15.677 -5.960 3.956 1.00 0.00 C ATOM 508 CD2 LEU A 30 -13.708 -4.430 3.757 1.00 0.00 C ATOM 0 H LEU A 30 -16.757 -4.333 0.021 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.352 -3.144 1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.805 -5.755 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -14.061 -5.801 1.574 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.726 -3.943 3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -15.761 -5.687 5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.667 -6.182 3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -15.042 -6.841 3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.819 -4.178 4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.024 -5.272 3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.308 -3.571 3.219 1.00 0.00 H new ATOM 520 N ILE A 31 -12.631 -4.127 -0.316 1.00 0.00 N ATOM 521 CA ILE A 31 -11.679 -4.452 -1.370 1.00 0.00 C ATOM 522 C ILE A 31 -10.392 -5.029 -0.790 1.00 0.00 C ATOM 523 O ILE A 31 -10.059 -4.789 0.369 1.00 0.00 O ATOM 524 CB ILE A 31 -11.337 -3.215 -2.221 1.00 0.00 C ATOM 525 CG1 ILE A 31 -10.966 -2.036 -1.320 1.00 0.00 C ATOM 526 CG2 ILE A 31 -12.507 -2.852 -3.123 1.00 0.00 C ATOM 527 CD1 ILE A 31 -9.479 -1.909 -1.072 1.00 0.00 C ATOM 0 H ILE A 31 -12.214 -3.705 0.514 1.00 0.00 H new ATOM 0 HA ILE A 31 -12.155 -5.199 -2.005 1.00 0.00 H new ATOM 0 HB ILE A 31 -10.479 -3.451 -2.850 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -11.331 -1.114 -1.773 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -11.478 -2.145 -0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -12.250 -1.976 -3.718 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -12.729 -3.688 -3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -13.382 -2.631 -2.512 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -9.290 -1.052 -0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.112 -2.815 -0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -8.962 -1.768 -2.021 1.00 0.00 H new ATOM 539 N GLY A 32 -9.670 -5.790 -1.607 1.00 0.00 N ATOM 540 CA GLY A 32 -8.426 -6.388 -1.158 1.00 0.00 C ATOM 541 C GLY A 32 -7.229 -5.491 -1.406 1.00 0.00 C ATOM 542 O GLY A 32 -7.162 -4.801 -2.423 1.00 0.00 O ATOM 0 H GLY A 32 -9.924 -6.003 -2.572 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.496 -6.609 -0.093 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.277 -7.338 -1.671 1.00 0.00 H new ATOM 546 N CYS A 33 -6.282 -5.500 -0.474 1.00 0.00 N ATOM 547 CA CYS A 33 -5.083 -4.680 -0.595 1.00 0.00 C ATOM 548 C CYS A 33 -4.474 -4.809 -1.988 1.00 0.00 C ATOM 549 O CYS A 33 -4.345 -5.903 -2.538 1.00 0.00 O ATOM 550 CB CYS A 33 -4.055 -5.086 0.463 1.00 0.00 C ATOM 551 SG CYS A 33 -2.584 -4.011 0.521 1.00 0.00 S ATOM 0 H CYS A 33 -6.322 -6.066 0.373 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.366 -3.639 -0.437 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.535 -5.080 1.442 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.736 -6.110 0.270 1.00 0.00 H new ATOM 556 N PRO A 34 -4.088 -3.665 -2.573 1.00 0.00 N ATOM 557 CA PRO A 34 -3.485 -3.623 -3.908 1.00 0.00 C ATOM 558 C PRO A 34 -2.083 -4.221 -3.930 1.00 0.00 C ATOM 559 O PRO A 34 -1.443 -4.292 -4.981 1.00 0.00 O ATOM 560 CB PRO A 34 -3.434 -2.127 -4.227 1.00 0.00 C ATOM 561 CG PRO A 34 -3.400 -1.457 -2.897 1.00 0.00 C ATOM 562 CD PRO A 34 -4.211 -2.325 -1.976 1.00 0.00 C ATOM 0 HA PRO A 34 -4.054 -4.208 -4.631 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.553 -1.878 -4.818 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.304 -1.816 -4.805 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.376 -1.356 -2.537 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.818 -0.452 -2.955 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.824 -2.302 -0.957 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.250 -2.000 -1.929 1.00 0.00 H new ATOM 570 N LEU A 35 -1.610 -4.651 -2.766 1.00 0.00 N ATOM 571 CA LEU A 35 -0.282 -5.244 -2.651 1.00 0.00 C ATOM 572 C LEU A 35 -0.372 -6.695 -2.189 1.00 0.00 C ATOM 573 O LEU A 35 0.604 -7.263 -1.699 1.00 0.00 O ATOM 574 CB LEU A 35 0.576 -4.438 -1.675 1.00 0.00 C ATOM 575 CG LEU A 35 1.014 -3.053 -2.152 1.00 0.00 C ATOM 576 CD1 LEU A 35 1.620 -2.260 -1.004 1.00 0.00 C ATOM 577 CD2 LEU A 35 2.005 -3.174 -3.300 1.00 0.00 C ATOM 0 H LEU A 35 -2.126 -4.600 -1.888 1.00 0.00 H new ATOM 0 HA LEU A 35 0.184 -5.224 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.020 -4.321 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.468 -5.019 -1.442 1.00 0.00 H new ATOM 0 HG LEU A 35 0.135 -2.518 -2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.926 -1.277 -1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.880 -2.143 -0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.489 -2.790 -0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.306 -2.179 -3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.883 -3.727 -2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.537 -3.703 -4.130 1.00 0.00 H new ATOM 589 N VAL A 36 -1.549 -7.291 -2.351 1.00 0.00 N ATOM 590 CA VAL A 36 -1.766 -8.677 -1.953 1.00 0.00 C ATOM 591 C VAL A 36 -1.121 -8.968 -0.603 1.00 0.00 C ATOM 592 O VAL A 36 -0.588 -10.056 -0.379 1.00 0.00 O ATOM 593 CB VAL A 36 -1.204 -9.655 -3.001 1.00 0.00 C ATOM 594 CG1 VAL A 36 -1.856 -9.422 -4.355 1.00 0.00 C ATOM 595 CG2 VAL A 36 0.309 -9.520 -3.098 1.00 0.00 C ATOM 0 H VAL A 36 -2.367 -6.836 -2.755 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.844 -8.820 -1.875 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.436 -10.672 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.445 -10.123 -5.082 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.932 -9.574 -4.272 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.658 -8.402 -4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.690 -10.218 -3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.565 -8.502 -3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.757 -9.743 -2.130 1.00 0.00 H new ATOM 605 N CYS A 37 -1.173 -7.990 0.295 1.00 0.00 N ATOM 606 CA CYS A 37 -0.594 -8.141 1.624 1.00 0.00 C ATOM 607 C CYS A 37 -1.348 -9.195 2.430 1.00 0.00 C ATOM 608 O CYS A 37 -0.831 -9.730 3.410 1.00 0.00 O ATOM 609 CB CYS A 37 -0.616 -6.803 2.367 1.00 0.00 C ATOM 610 SG CYS A 37 -2.188 -6.450 3.217 1.00 0.00 S ATOM 0 H CYS A 37 -1.610 -7.084 0.126 1.00 0.00 H new ATOM 0 HA CYS A 37 0.439 -8.469 1.508 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.191 -6.793 3.100 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.411 -6.002 1.657 1.00 0.00 H new ATOM 615 N GLY A 38 -2.575 -9.488 2.009 1.00 0.00 N ATOM 616 CA GLY A 38 -3.381 -10.476 2.702 1.00 0.00 C ATOM 617 C GLY A 38 -4.288 -9.856 3.746 1.00 0.00 C ATOM 618 O GLY A 38 -4.297 -10.281 4.901 1.00 0.00 O ATOM 0 H GLY A 38 -3.025 -9.059 1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.986 -11.020 1.977 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.726 -11.204 3.181 1.00 0.00 H new ATOM 622 N ALA A 39 -5.053 -8.848 3.340 1.00 0.00 N ATOM 623 CA ALA A 39 -5.967 -8.169 4.249 1.00 0.00 C ATOM 624 C ALA A 39 -7.057 -7.428 3.480 1.00 0.00 C ATOM 625 O ALA A 39 -6.769 -6.543 2.674 1.00 0.00 O ATOM 626 CB ALA A 39 -5.203 -7.205 5.144 1.00 0.00 C ATOM 0 H ALA A 39 -5.058 -8.484 2.387 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.447 -8.924 4.872 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.899 -6.705 5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.466 -7.757 5.728 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.696 -6.462 4.529 1.00 0.00 H new ATOM 632 N VAL A 40 -8.308 -7.797 3.733 1.00 0.00 N ATOM 633 CA VAL A 40 -9.441 -7.167 3.065 1.00 0.00 C ATOM 634 C VAL A 40 -9.978 -5.996 3.880 1.00 0.00 C ATOM 635 O VAL A 40 -10.457 -6.173 5.000 1.00 0.00 O ATOM 636 CB VAL A 40 -10.580 -8.175 2.822 1.00 0.00 C ATOM 637 CG1 VAL A 40 -11.777 -7.485 2.186 1.00 0.00 C ATOM 638 CG2 VAL A 40 -10.096 -9.327 1.955 1.00 0.00 C ATOM 0 H VAL A 40 -8.563 -8.529 4.396 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.079 -6.801 2.104 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.894 -8.581 3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.572 -8.213 2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.137 -6.698 2.848 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.481 -7.049 1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.914 -10.029 1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.754 -8.941 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.273 -9.837 2.455 1.00 0.00 H new ATOM 648 N PHE A 41 -9.896 -4.799 3.309 1.00 0.00 N ATOM 649 CA PHE A 41 -10.374 -3.597 3.982 1.00 0.00 C ATOM 650 C PHE A 41 -11.204 -2.736 3.035 1.00 0.00 C ATOM 651 O PHE A 41 -11.244 -2.981 1.829 1.00 0.00 O ATOM 652 CB PHE A 41 -9.194 -2.787 4.524 1.00 0.00 C ATOM 653 CG PHE A 41 -7.980 -2.831 3.639 1.00 0.00 C ATOM 654 CD1 PHE A 41 -7.857 -1.963 2.566 1.00 0.00 C ATOM 655 CD2 PHE A 41 -6.963 -3.739 3.881 1.00 0.00 C ATOM 656 CE1 PHE A 41 -6.742 -2.001 1.751 1.00 0.00 C ATOM 657 CE2 PHE A 41 -5.845 -3.783 3.069 1.00 0.00 C ATOM 658 CZ PHE A 41 -5.734 -2.912 2.003 1.00 0.00 C ATOM 0 H PHE A 41 -9.503 -4.635 2.382 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.008 -3.905 4.814 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.504 -1.750 4.651 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.928 -3.164 5.512 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.642 -1.249 2.364 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.044 -4.421 4.714 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.658 -1.319 0.918 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.060 -4.497 3.268 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.861 -2.943 1.368 1.00 0.00 H new ATOM 668 N HIS A 42 -11.866 -1.726 3.590 1.00 0.00 N ATOM 669 CA HIS A 42 -12.696 -0.828 2.795 1.00 0.00 C ATOM 670 C HIS A 42 -11.834 0.071 1.913 1.00 0.00 C ATOM 671 O HIS A 42 -10.783 0.550 2.338 1.00 0.00 O ATOM 672 CB HIS A 42 -13.578 0.027 3.706 1.00 0.00 C ATOM 673 CG HIS A 42 -14.684 -0.741 4.361 1.00 0.00 C ATOM 674 ND1 HIS A 42 -15.884 -1.012 3.737 1.00 0.00 N ATOM 675 CD2 HIS A 42 -14.768 -1.299 5.591 1.00 0.00 C ATOM 676 CE1 HIS A 42 -16.658 -1.701 4.556 1.00 0.00 C ATOM 677 NE2 HIS A 42 -16.004 -1.889 5.688 1.00 0.00 N ATOM 0 H HIS A 42 -11.844 -1.509 4.586 1.00 0.00 H new ATOM 0 HA HIS A 42 -13.332 -1.436 2.152 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -12.956 0.482 4.477 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.008 0.841 3.122 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -16.135 -0.725 2.791 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -14.004 -1.283 6.355 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -17.656 -2.051 4.337 1.00 0.00 H new ATOM 685 N SER A 43 -12.287 0.294 0.683 1.00 0.00 N ATOM 686 CA SER A 43 -11.554 1.131 -0.260 1.00 0.00 C ATOM 687 C SER A 43 -11.188 2.470 0.373 1.00 0.00 C ATOM 688 O SER A 43 -10.106 3.008 0.134 1.00 0.00 O ATOM 689 CB SER A 43 -12.387 1.362 -1.523 1.00 0.00 C ATOM 690 OG SER A 43 -12.101 2.624 -2.099 1.00 0.00 O ATOM 0 H SER A 43 -13.157 -0.093 0.317 1.00 0.00 H new ATOM 0 HA SER A 43 -10.634 0.613 -0.529 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.182 0.573 -2.247 1.00 0.00 H new ATOM 0 HB3 SER A 43 -13.448 1.302 -1.279 1.00 0.00 H new ATOM 0 HG SER A 43 -12.645 2.746 -2.905 1.00 0.00 H new ATOM 696 N CYS A 44 -12.097 3.004 1.181 1.00 0.00 N ATOM 697 CA CYS A 44 -11.873 4.280 1.849 1.00 0.00 C ATOM 698 C CYS A 44 -10.754 4.165 2.880 1.00 0.00 C ATOM 699 O CYS A 44 -9.978 5.100 3.079 1.00 0.00 O ATOM 700 CB CYS A 44 -13.159 4.758 2.526 1.00 0.00 C ATOM 701 SG CYS A 44 -13.647 3.770 3.976 1.00 0.00 S ATOM 0 H CYS A 44 -12.997 2.572 1.389 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.575 5.009 1.095 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -13.031 5.796 2.833 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -13.969 4.739 1.797 1.00 0.00 H new ATOM 706 N LYS A 45 -10.677 3.011 3.534 1.00 0.00 N ATOM 707 CA LYS A 45 -9.654 2.770 4.545 1.00 0.00 C ATOM 708 C LYS A 45 -8.290 2.550 3.896 1.00 0.00 C ATOM 709 O LYS A 45 -7.261 2.942 4.445 1.00 0.00 O ATOM 710 CB LYS A 45 -10.026 1.556 5.399 1.00 0.00 C ATOM 711 CG LYS A 45 -11.154 1.825 6.379 1.00 0.00 C ATOM 712 CD LYS A 45 -10.722 2.781 7.478 1.00 0.00 C ATOM 713 CE LYS A 45 -11.466 2.511 8.777 1.00 0.00 C ATOM 714 NZ LYS A 45 -10.723 3.026 9.960 1.00 0.00 N ATOM 0 H LYS A 45 -11.312 2.227 3.382 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.596 3.651 5.184 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.314 0.735 4.742 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.146 1.228 5.952 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.008 2.244 5.846 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.484 0.885 6.822 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.649 2.684 7.645 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.903 3.808 7.160 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.450 2.977 8.735 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.626 1.438 8.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.120 2.610 10.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.719 2.766 9.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.811 4.061 10.001 1.00 0.00 H new ATOM 728 N ALA A 46 -8.292 1.921 2.725 1.00 0.00 N ATOM 729 CA ALA A 46 -7.056 1.652 2.001 1.00 0.00 C ATOM 730 C ALA A 46 -6.074 2.811 2.141 1.00 0.00 C ATOM 731 O ALA A 46 -4.861 2.608 2.186 1.00 0.00 O ATOM 732 CB ALA A 46 -7.352 1.383 0.533 1.00 0.00 C ATOM 0 H ALA A 46 -9.136 1.588 2.258 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.595 0.765 2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.420 1.184 0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.010 0.518 0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.839 2.254 0.094 1.00 0.00 H new ATOM 738 N ASP A 47 -6.607 4.026 2.209 1.00 0.00 N ATOM 739 CA ASP A 47 -5.778 5.218 2.345 1.00 0.00 C ATOM 740 C ASP A 47 -4.972 5.176 3.640 1.00 0.00 C ATOM 741 O ASP A 47 -3.778 5.472 3.649 1.00 0.00 O ATOM 742 CB ASP A 47 -6.646 6.476 2.311 1.00 0.00 C ATOM 743 CG ASP A 47 -5.822 7.747 2.239 1.00 0.00 C ATOM 744 OD1 ASP A 47 -5.431 8.138 1.119 1.00 0.00 O ATOM 745 OD2 ASP A 47 -5.570 8.351 3.302 1.00 0.00 O ATOM 0 H ASP A 47 -7.609 4.211 2.172 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.082 5.243 1.506 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.313 6.430 1.450 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.275 6.504 3.201 1.00 0.00 H new ATOM 750 N GLU A 48 -5.635 4.806 4.731 1.00 0.00 N ATOM 751 CA GLU A 48 -4.981 4.727 6.032 1.00 0.00 C ATOM 752 C GLU A 48 -4.256 3.394 6.196 1.00 0.00 C ATOM 753 O GLU A 48 -3.170 3.332 6.774 1.00 0.00 O ATOM 754 CB GLU A 48 -6.005 4.905 7.155 1.00 0.00 C ATOM 755 CG GLU A 48 -6.771 3.636 7.487 1.00 0.00 C ATOM 756 CD GLU A 48 -7.509 3.729 8.808 1.00 0.00 C ATOM 757 OE1 GLU A 48 -7.953 4.841 9.162 1.00 0.00 O ATOM 758 OE2 GLU A 48 -7.643 2.690 9.488 1.00 0.00 O ATOM 0 H GLU A 48 -6.624 4.556 4.740 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.247 5.530 6.090 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.492 5.255 8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.713 5.683 6.869 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.485 3.428 6.690 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.077 2.796 7.521 1.00 0.00 H new ATOM 765 N HIS A 49 -4.865 2.329 5.684 1.00 0.00 N ATOM 766 CA HIS A 49 -4.278 0.997 5.774 1.00 0.00 C ATOM 767 C HIS A 49 -2.881 0.976 5.160 1.00 0.00 C ATOM 768 O HIS A 49 -1.919 0.550 5.798 1.00 0.00 O ATOM 769 CB HIS A 49 -5.172 -0.025 5.071 1.00 0.00 C ATOM 770 CG HIS A 49 -4.493 -1.334 4.807 1.00 0.00 C ATOM 771 ND1 HIS A 49 -4.498 -2.379 5.705 1.00 0.00 N ATOM 772 CD2 HIS A 49 -3.786 -1.764 3.735 1.00 0.00 C ATOM 773 CE1 HIS A 49 -3.822 -3.395 5.199 1.00 0.00 C ATOM 774 NE2 HIS A 49 -3.380 -3.048 4.004 1.00 0.00 N ATOM 0 H HIS A 49 -5.764 2.363 5.203 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.196 0.733 6.828 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.058 -0.201 5.681 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.515 0.394 4.125 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -4.953 -2.370 6.618 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.580 -1.202 2.836 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.659 -4.348 5.681 1.00 0.00 H new ATOM 782 N ARG A 50 -2.779 1.437 3.918 1.00 0.00 N ATOM 783 CA ARG A 50 -1.501 1.469 3.218 1.00 0.00 C ATOM 784 C ARG A 50 -0.371 1.861 4.166 1.00 0.00 C ATOM 785 O ARG A 50 0.750 1.365 4.051 1.00 0.00 O ATOM 786 CB ARG A 50 -1.561 2.450 2.046 1.00 0.00 C ATOM 787 CG ARG A 50 -1.434 3.906 2.463 1.00 0.00 C ATOM 788 CD ARG A 50 -1.761 4.846 1.313 1.00 0.00 C ATOM 789 NE ARG A 50 -1.949 6.222 1.767 1.00 0.00 N ATOM 790 CZ ARG A 50 -0.947 7.063 1.999 1.00 0.00 C ATOM 791 NH1 ARG A 50 0.307 6.670 1.820 1.00 0.00 N ATOM 792 NH2 ARG A 50 -1.199 8.299 2.410 1.00 0.00 N ATOM 0 H ARG A 50 -3.566 1.793 3.376 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.300 0.468 2.835 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.763 2.212 1.342 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.504 2.313 1.517 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.104 4.106 3.299 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.420 4.098 2.814 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.957 4.813 0.578 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.666 4.503 0.811 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.902 6.555 1.914 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.504 5.720 1.504 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.075 7.317 1.999 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.162 8.604 2.548 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.429 8.944 2.588 1.00 0.00 H new ATOM 806 N LEU A 51 -0.674 2.755 5.101 1.00 0.00 N ATOM 807 CA LEU A 51 0.315 3.215 6.069 1.00 0.00 C ATOM 808 C LEU A 51 0.821 2.056 6.922 1.00 0.00 C ATOM 809 O LEU A 51 2.029 1.856 7.063 1.00 0.00 O ATOM 810 CB LEU A 51 -0.285 4.299 6.966 1.00 0.00 C ATOM 811 CG LEU A 51 -0.960 5.467 6.246 1.00 0.00 C ATOM 812 CD1 LEU A 51 -1.935 6.174 7.174 1.00 0.00 C ATOM 813 CD2 LEU A 51 0.083 6.444 5.721 1.00 0.00 C ATOM 0 H LEU A 51 -1.597 3.176 5.209 1.00 0.00 H new ATOM 0 HA LEU A 51 1.158 3.633 5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.017 3.833 7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.507 4.698 7.600 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.519 5.072 5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.406 7.002 6.644 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.701 5.471 7.502 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.399 6.557 8.042 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.415 7.269 5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.669 6.833 6.554 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.743 5.931 5.021 1.00 0.00 H new ATOM 825 N LEU A 52 -0.108 1.295 7.489 1.00 0.00 N ATOM 826 CA LEU A 52 0.243 0.154 8.327 1.00 0.00 C ATOM 827 C LEU A 52 0.730 -1.016 7.478 1.00 0.00 C ATOM 828 O LEU A 52 1.750 -1.635 7.781 1.00 0.00 O ATOM 829 CB LEU A 52 -0.961 -0.277 9.167 1.00 0.00 C ATOM 830 CG LEU A 52 -1.868 0.847 9.665 1.00 0.00 C ATOM 831 CD1 LEU A 52 -3.048 0.278 10.438 1.00 0.00 C ATOM 832 CD2 LEU A 52 -1.083 1.823 10.530 1.00 0.00 C ATOM 0 H LEU A 52 -1.111 1.447 7.384 1.00 0.00 H new ATOM 0 HA LEU A 52 1.052 0.458 8.992 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.563 -0.967 8.576 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.596 -0.832 10.031 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.253 1.387 8.800 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.683 1.093 10.785 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.625 -0.380 9.789 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.683 -0.287 11.295 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.745 2.617 10.876 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.669 1.296 11.390 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.272 2.256 9.945 1.00 0.00 H new ATOM 844 N CYS A 53 -0.005 -1.312 6.411 1.00 0.00 N ATOM 845 CA CYS A 53 0.352 -2.406 5.516 1.00 0.00 C ATOM 846 C CYS A 53 1.866 -2.589 5.456 1.00 0.00 C ATOM 847 O CYS A 53 2.619 -1.653 5.186 1.00 0.00 O ATOM 848 CB CYS A 53 -0.196 -2.144 4.112 1.00 0.00 C ATOM 849 SG CYS A 53 0.107 -3.497 2.930 1.00 0.00 S ATOM 0 H CYS A 53 -0.852 -0.809 6.145 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.092 -3.321 5.908 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.270 -1.969 4.180 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.252 -1.230 3.724 1.00 0.00 H new ATOM 854 N PRO A 54 2.324 -3.823 5.715 1.00 0.00 N ATOM 855 CA PRO A 54 3.751 -4.158 5.697 1.00 0.00 C ATOM 856 C PRO A 54 4.335 -4.130 4.288 1.00 0.00 C ATOM 857 O PRO A 54 5.517 -3.842 4.101 1.00 0.00 O ATOM 858 CB PRO A 54 3.789 -5.579 6.264 1.00 0.00 C ATOM 859 CG PRO A 54 2.442 -6.142 5.966 1.00 0.00 C ATOM 860 CD PRO A 54 1.484 -4.986 6.045 1.00 0.00 C ATOM 0 HA PRO A 54 4.345 -3.442 6.265 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.577 -6.170 5.798 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.987 -5.572 7.336 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.420 -6.600 4.977 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.176 -6.919 6.683 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.659 -5.099 5.341 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.045 -4.895 7.038 1.00 0.00 H new ATOM 868 N PHE A 55 3.499 -4.432 3.300 1.00 0.00 N ATOM 869 CA PHE A 55 3.932 -4.442 1.908 1.00 0.00 C ATOM 870 C PHE A 55 4.287 -3.034 1.438 1.00 0.00 C ATOM 871 O PHE A 55 5.260 -2.839 0.710 1.00 0.00 O ATOM 872 CB PHE A 55 2.837 -5.029 1.015 1.00 0.00 C ATOM 873 CG PHE A 55 2.890 -6.526 0.907 1.00 0.00 C ATOM 874 CD1 PHE A 55 3.009 -7.312 2.042 1.00 0.00 C ATOM 875 CD2 PHE A 55 2.821 -7.148 -0.330 1.00 0.00 C ATOM 876 CE1 PHE A 55 3.059 -8.690 1.945 1.00 0.00 C ATOM 877 CE2 PHE A 55 2.870 -8.525 -0.433 1.00 0.00 C ATOM 878 CZ PHE A 55 2.988 -9.297 0.706 1.00 0.00 C ATOM 0 H PHE A 55 2.518 -4.673 3.438 1.00 0.00 H new ATOM 0 HA PHE A 55 4.823 -5.065 1.836 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.863 -4.735 1.407 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.922 -4.598 0.018 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.063 -6.843 3.013 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.728 -6.549 -1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.153 -9.292 2.837 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.816 -8.997 -1.403 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.025 -10.374 0.628 1.00 0.00 H new ATOM 888 N GLU A 56 3.490 -2.058 1.861 1.00 0.00 N ATOM 889 CA GLU A 56 3.719 -0.668 1.482 1.00 0.00 C ATOM 890 C GLU A 56 5.212 -0.356 1.436 1.00 0.00 C ATOM 891 O GLU A 56 5.980 -0.818 2.280 1.00 0.00 O ATOM 892 CB GLU A 56 3.020 0.273 2.465 1.00 0.00 C ATOM 893 CG GLU A 56 2.842 1.685 1.933 1.00 0.00 C ATOM 894 CD GLU A 56 2.512 1.714 0.453 1.00 0.00 C ATOM 895 OE1 GLU A 56 1.443 1.192 0.074 1.00 0.00 O ATOM 896 OE2 GLU A 56 3.323 2.257 -0.326 1.00 0.00 O ATOM 0 H GLU A 56 2.681 -2.203 2.465 1.00 0.00 H new ATOM 0 HA GLU A 56 3.303 -0.516 0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.042 -0.138 2.715 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.596 0.312 3.390 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.046 2.181 2.489 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.755 2.253 2.109 1.00 0.00 H new ATOM 903 N ARG A 57 5.616 0.431 0.444 1.00 0.00 N ATOM 904 CA ARG A 57 7.016 0.804 0.286 1.00 0.00 C ATOM 905 C ARG A 57 7.475 1.694 1.437 1.00 0.00 C ATOM 906 O ARG A 57 6.860 2.721 1.725 1.00 0.00 O ATOM 907 CB ARG A 57 7.227 1.526 -1.046 1.00 0.00 C ATOM 908 CG ARG A 57 8.639 2.054 -1.236 1.00 0.00 C ATOM 909 CD ARG A 57 8.858 2.565 -2.652 1.00 0.00 C ATOM 910 NE ARG A 57 8.222 3.861 -2.870 1.00 0.00 N ATOM 911 CZ ARG A 57 7.864 4.312 -4.067 1.00 0.00 C ATOM 912 NH1 ARG A 57 8.079 3.575 -5.148 1.00 0.00 N ATOM 913 NH2 ARG A 57 7.290 5.503 -4.185 1.00 0.00 N ATOM 0 H ARG A 57 4.993 0.823 -0.262 1.00 0.00 H new ATOM 0 HA ARG A 57 7.612 -0.109 0.295 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.991 0.842 -1.861 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.525 2.357 -1.114 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.826 2.859 -0.525 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.357 1.263 -1.019 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.927 2.649 -2.846 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.461 1.842 -3.364 1.00 0.00 H new ATOM 0 HE ARG A 57 8.043 4.453 -2.059 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.520 2.659 -5.062 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.803 3.924 -6.066 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.123 6.073 -3.356 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.016 5.848 -5.105 1.00 0.00 H new ATOM 927 N VAL A 58 8.560 1.293 2.093 1.00 0.00 N ATOM 928 CA VAL A 58 9.102 2.053 3.212 1.00 0.00 C ATOM 929 C VAL A 58 10.626 2.058 3.187 1.00 0.00 C ATOM 930 O VAL A 58 11.268 1.092 2.775 1.00 0.00 O ATOM 931 CB VAL A 58 8.623 1.485 4.561 1.00 0.00 C ATOM 932 CG1 VAL A 58 7.117 1.276 4.549 1.00 0.00 C ATOM 933 CG2 VAL A 58 9.347 0.185 4.878 1.00 0.00 C ATOM 0 H VAL A 58 9.081 0.445 1.868 1.00 0.00 H new ATOM 0 HA VAL A 58 8.737 3.075 3.106 1.00 0.00 H new ATOM 0 HB VAL A 58 8.859 2.207 5.343 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.798 0.874 5.511 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.619 2.229 4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.853 0.575 3.757 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.997 -0.203 5.835 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.144 -0.545 4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.420 0.370 4.933 1.00 0.00 H new ATOM 943 N PRO A 59 11.222 3.172 3.638 1.00 0.00 N ATOM 944 CA PRO A 59 12.678 3.330 3.679 1.00 0.00 C ATOM 945 C PRO A 59 13.329 2.438 4.731 1.00 0.00 C ATOM 946 O PRO A 59 12.759 2.200 5.796 1.00 0.00 O ATOM 947 CB PRO A 59 12.865 4.806 4.039 1.00 0.00 C ATOM 948 CG PRO A 59 11.619 5.180 4.764 1.00 0.00 C ATOM 949 CD PRO A 59 10.519 4.363 4.145 1.00 0.00 C ATOM 0 HA PRO A 59 13.145 3.045 2.737 1.00 0.00 H new ATOM 0 HB2 PRO A 59 13.746 4.952 4.664 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.002 5.417 3.147 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.709 4.969 5.830 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.416 6.246 4.666 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.755 4.098 4.876 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.018 4.906 3.343 1.00 0.00 H new ATOM 957 N CYS A 60 14.526 1.947 4.425 1.00 0.00 N ATOM 958 CA CYS A 60 15.255 1.082 5.344 1.00 0.00 C ATOM 959 C CYS A 60 15.026 1.508 6.791 1.00 0.00 C ATOM 960 O CYS A 60 15.095 2.694 7.119 1.00 0.00 O ATOM 961 CB CYS A 60 16.751 1.107 5.024 1.00 0.00 C ATOM 962 SG CYS A 60 17.762 0.050 6.110 1.00 0.00 S ATOM 0 H CYS A 60 15.011 2.134 3.547 1.00 0.00 H new ATOM 0 HA CYS A 60 14.881 0.066 5.220 1.00 0.00 H new ATOM 0 HB2 CYS A 60 16.896 0.792 3.991 1.00 0.00 H new ATOM 0 HB3 CYS A 60 17.110 2.134 5.097 1.00 0.00 H new ATOM 967 N LEU A 61 14.754 0.535 7.653 1.00 0.00 N ATOM 968 CA LEU A 61 14.515 0.809 9.066 1.00 0.00 C ATOM 969 C LEU A 61 15.549 1.787 9.614 1.00 0.00 C ATOM 970 O LEU A 61 15.233 2.642 10.439 1.00 0.00 O ATOM 971 CB LEU A 61 14.549 -0.492 9.871 1.00 0.00 C ATOM 972 CG LEU A 61 13.241 -1.281 9.928 1.00 0.00 C ATOM 973 CD1 LEU A 61 13.468 -2.648 10.553 1.00 0.00 C ATOM 974 CD2 LEU A 61 12.185 -0.507 10.703 1.00 0.00 C ATOM 0 H LEU A 61 14.693 -0.451 7.399 1.00 0.00 H new ATOM 0 HA LEU A 61 13.528 1.262 9.161 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.320 -1.136 9.449 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.853 -0.257 10.891 1.00 0.00 H new ATOM 0 HG LEU A 61 12.882 -1.426 8.909 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.525 -3.195 10.585 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.191 -3.205 9.957 1.00 0.00 H new ATOM 0 HD13 LEU A 61 13.851 -2.526 11.566 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.261 -1.084 10.733 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.536 -0.331 11.720 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.001 0.448 10.212 1.00 0.00 H new ATOM 986 N ASN A 62 16.787 1.654 9.147 1.00 0.00 N ATOM 987 CA ASN A 62 17.868 2.527 9.589 1.00 0.00 C ATOM 988 C ASN A 62 18.066 3.684 8.614 1.00 0.00 C ATOM 989 O ASN A 62 19.195 4.034 8.270 1.00 0.00 O ATOM 990 CB ASN A 62 19.169 1.733 9.726 1.00 0.00 C ATOM 991 CG ASN A 62 18.979 0.443 10.500 1.00 0.00 C ATOM 992 OD1 ASN A 62 18.863 0.452 11.725 1.00 0.00 O ATOM 993 ND2 ASN A 62 18.947 -0.676 9.785 1.00 0.00 N ATOM 0 H ASN A 62 17.066 0.950 8.463 1.00 0.00 H new ATOM 0 HA ASN A 62 17.596 2.937 10.562 1.00 0.00 H new ATOM 0 HB2 ASN A 62 19.558 1.504 8.734 1.00 0.00 H new ATOM 0 HB3 ASN A 62 19.916 2.348 10.228 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.822 -1.575 10.250 1.00 0.00 H new ATOM 0 HD22 ASN A 62 19.047 -0.636 8.771 1.00 0.00 H new ATOM 1000 N SER A 63 16.960 4.274 8.172 1.00 0.00 N ATOM 1001 CA SER A 63 17.011 5.390 7.234 1.00 0.00 C ATOM 1002 C SER A 63 17.858 6.530 7.792 1.00 0.00 C ATOM 1003 O SER A 63 18.687 7.105 7.086 1.00 0.00 O ATOM 1004 CB SER A 63 15.599 5.892 6.928 1.00 0.00 C ATOM 1005 OG SER A 63 15.005 6.474 8.075 1.00 0.00 O ATOM 0 H SER A 63 16.018 3.998 8.448 1.00 0.00 H new ATOM 0 HA SER A 63 17.471 5.036 6.311 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.637 6.625 6.123 1.00 0.00 H new ATOM 0 HB3 SER A 63 14.984 5.064 6.576 1.00 0.00 H new ATOM 0 HG SER A 63 14.104 6.789 7.853 1.00 0.00 H new ATOM 1011 N ASP A 64 17.644 6.851 9.063 1.00 0.00 N ATOM 1012 CA ASP A 64 18.387 7.921 9.717 1.00 0.00 C ATOM 1013 C ASP A 64 19.882 7.792 9.440 1.00 0.00 C ATOM 1014 O ASP A 64 20.549 8.772 9.105 1.00 0.00 O ATOM 1015 CB ASP A 64 18.132 7.900 11.225 1.00 0.00 C ATOM 1016 CG ASP A 64 16.682 8.177 11.570 1.00 0.00 C ATOM 1017 OD1 ASP A 64 16.219 9.311 11.324 1.00 0.00 O ATOM 1018 OD2 ASP A 64 16.010 7.260 12.086 1.00 0.00 O ATOM 0 H ASP A 64 16.962 6.385 9.661 1.00 0.00 H new ATOM 0 HA ASP A 64 18.041 8.871 9.311 1.00 0.00 H new ATOM 0 HB2 ASP A 64 18.419 6.928 11.626 1.00 0.00 H new ATOM 0 HB3 ASP A 64 18.766 8.643 11.708 1.00 0.00 H new ATOM 1023 N PHE A 65 20.403 6.578 9.583 1.00 0.00 N ATOM 1024 CA PHE A 65 21.819 6.321 9.350 1.00 0.00 C ATOM 1025 C PHE A 65 22.245 6.828 7.975 1.00 0.00 C ATOM 1026 O PHE A 65 23.301 7.442 7.828 1.00 0.00 O ATOM 1027 CB PHE A 65 22.114 4.824 9.468 1.00 0.00 C ATOM 1028 CG PHE A 65 22.358 4.371 10.879 1.00 0.00 C ATOM 1029 CD1 PHE A 65 21.297 4.128 11.736 1.00 0.00 C ATOM 1030 CD2 PHE A 65 23.649 4.188 11.349 1.00 0.00 C ATOM 1031 CE1 PHE A 65 21.518 3.710 13.035 1.00 0.00 C ATOM 1032 CE2 PHE A 65 23.876 3.770 12.647 1.00 0.00 C ATOM 1033 CZ PHE A 65 22.809 3.532 13.491 1.00 0.00 C ATOM 0 H PHE A 65 19.865 5.756 9.859 1.00 0.00 H new ATOM 0 HA PHE A 65 22.389 6.857 10.108 1.00 0.00 H new ATOM 0 HB2 PHE A 65 21.276 4.263 9.054 1.00 0.00 H new ATOM 0 HB3 PHE A 65 22.988 4.585 8.862 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.285 4.267 11.385 1.00 0.00 H new ATOM 0 HD2 PHE A 65 24.487 4.374 10.694 1.00 0.00 H new ATOM 0 HE1 PHE A 65 20.682 3.523 13.692 1.00 0.00 H new ATOM 0 HE2 PHE A 65 24.887 3.630 13.001 1.00 0.00 H new ATOM 0 HZ PHE A 65 22.984 3.207 14.506 1.00 0.00 H new ATOM 1043 N GLY A 66 21.414 6.565 6.971 1.00 0.00 N ATOM 1044 CA GLY A 66 21.722 7.000 5.621 1.00 0.00 C ATOM 1045 C GLY A 66 21.676 5.863 4.620 1.00 0.00 C ATOM 1046 O GLY A 66 22.610 5.674 3.840 1.00 0.00 O ATOM 0 H GLY A 66 20.534 6.059 7.068 1.00 0.00 H new ATOM 0 HA2 GLY A 66 21.014 7.773 5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 66 22.713 7.453 5.606 1.00 0.00 H new ATOM 1050 N CYS A 67 20.588 5.100 4.643 1.00 0.00 N ATOM 1051 CA CYS A 67 20.424 3.974 3.733 1.00 0.00 C ATOM 1052 C CYS A 67 19.372 4.280 2.671 1.00 0.00 C ATOM 1053 O CYS A 67 18.178 4.381 2.956 1.00 0.00 O ATOM 1054 CB CYS A 67 20.029 2.716 4.510 1.00 0.00 C ATOM 1055 SG CYS A 67 20.597 1.162 3.749 1.00 0.00 S ATOM 0 H CYS A 67 19.806 5.242 5.283 1.00 0.00 H new ATOM 0 HA CYS A 67 21.378 3.801 3.235 1.00 0.00 H new ATOM 0 HB2 CYS A 67 20.435 2.783 5.519 1.00 0.00 H new ATOM 0 HB3 CYS A 67 18.943 2.686 4.604 1.00 0.00 H new ATOM 1060 N PRO A 68 19.823 4.432 1.417 1.00 0.00 N ATOM 1061 CA PRO A 68 18.937 4.728 0.288 1.00 0.00 C ATOM 1062 C PRO A 68 18.042 3.547 -0.073 1.00 0.00 C ATOM 1063 O PRO A 68 17.093 3.688 -0.844 1.00 0.00 O ATOM 1064 CB PRO A 68 19.909 5.031 -0.855 1.00 0.00 C ATOM 1065 CG PRO A 68 21.156 4.300 -0.496 1.00 0.00 C ATOM 1066 CD PRO A 68 21.233 4.325 1.006 1.00 0.00 C ATOM 0 HA PRO A 68 18.251 5.545 0.512 1.00 0.00 H new ATOM 0 HB2 PRO A 68 19.513 4.692 -1.812 1.00 0.00 H new ATOM 0 HB3 PRO A 68 20.090 6.102 -0.947 1.00 0.00 H new ATOM 0 HG2 PRO A 68 21.129 3.276 -0.868 1.00 0.00 H new ATOM 0 HG3 PRO A 68 22.030 4.777 -0.940 1.00 0.00 H new ATOM 0 HD2 PRO A 68 21.699 3.422 1.400 1.00 0.00 H new ATOM 0 HD3 PRO A 68 21.821 5.170 1.364 1.00 0.00 H new ATOM 1074 N PHE A 69 18.350 2.384 0.491 1.00 0.00 N ATOM 1075 CA PHE A 69 17.574 1.178 0.228 1.00 0.00 C ATOM 1076 C PHE A 69 16.105 1.389 0.581 1.00 0.00 C ATOM 1077 O PHE A 69 15.778 1.897 1.655 1.00 0.00 O ATOM 1078 CB PHE A 69 18.137 -0.001 1.025 1.00 0.00 C ATOM 1079 CG PHE A 69 19.360 -0.614 0.404 1.00 0.00 C ATOM 1080 CD1 PHE A 69 20.606 -0.031 0.573 1.00 0.00 C ATOM 1081 CD2 PHE A 69 19.263 -1.773 -0.349 1.00 0.00 C ATOM 1082 CE1 PHE A 69 21.733 -0.593 0.003 1.00 0.00 C ATOM 1083 CE2 PHE A 69 20.387 -2.340 -0.920 1.00 0.00 C ATOM 1084 CZ PHE A 69 21.623 -1.749 -0.745 1.00 0.00 C ATOM 0 H PHE A 69 19.131 2.251 1.133 1.00 0.00 H new ATOM 0 HA PHE A 69 17.646 0.955 -0.837 1.00 0.00 H new ATOM 0 HB2 PHE A 69 18.381 0.335 2.033 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.366 -0.765 1.121 1.00 0.00 H new ATOM 0 HD1 PHE A 69 20.697 0.873 1.157 1.00 0.00 H new ATOM 0 HD2 PHE A 69 18.299 -2.238 -0.491 1.00 0.00 H new ATOM 0 HE1 PHE A 69 22.698 -0.129 0.142 1.00 0.00 H new ATOM 0 HE2 PHE A 69 20.299 -3.245 -1.503 1.00 0.00 H new ATOM 0 HZ PHE A 69 22.502 -2.190 -1.192 1.00 0.00 H new ATOM 1094 N THR A 70 15.220 0.996 -0.330 1.00 0.00 N ATOM 1095 CA THR A 70 13.786 1.144 -0.117 1.00 0.00 C ATOM 1096 C THR A 70 13.039 -0.128 -0.504 1.00 0.00 C ATOM 1097 O THR A 70 13.200 -0.641 -1.611 1.00 0.00 O ATOM 1098 CB THR A 70 13.217 2.325 -0.925 1.00 0.00 C ATOM 1099 OG1 THR A 70 13.715 2.287 -2.267 1.00 0.00 O ATOM 1100 CG2 THR A 70 13.587 3.651 -0.278 1.00 0.00 C ATOM 0 H THR A 70 15.472 0.572 -1.223 1.00 0.00 H new ATOM 0 HA THR A 70 13.643 1.338 0.946 1.00 0.00 H new ATOM 0 HB THR A 70 12.131 2.236 -0.940 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.687 1.366 -2.600 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.174 4.471 -0.866 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.180 3.689 0.733 1.00 0.00 H new ATOM 0 HG23 THR A 70 14.672 3.745 -0.236 1.00 0.00 H new ATOM 1108 N MET A 71 12.222 -0.631 0.416 1.00 0.00 N ATOM 1109 CA MET A 71 11.449 -1.843 0.169 1.00 0.00 C ATOM 1110 C MET A 71 10.299 -1.965 1.164 1.00 0.00 C ATOM 1111 O MET A 71 10.081 -1.077 1.987 1.00 0.00 O ATOM 1112 CB MET A 71 12.350 -3.076 0.259 1.00 0.00 C ATOM 1113 CG MET A 71 13.175 -3.134 1.534 1.00 0.00 C ATOM 1114 SD MET A 71 14.776 -2.321 1.363 1.00 0.00 S ATOM 1115 CE MET A 71 14.625 -1.015 2.579 1.00 0.00 C ATOM 0 H MET A 71 12.078 -0.219 1.338 1.00 0.00 H new ATOM 0 HA MET A 71 11.032 -1.780 -0.836 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.733 -3.972 0.194 1.00 0.00 H new ATOM 0 HB3 MET A 71 13.022 -3.089 -0.599 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.618 -2.664 2.344 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.329 -4.176 1.815 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.547 -0.434 2.605 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.792 -0.364 2.312 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.444 -1.452 3.561 1.00 0.00 H new ATOM 1125 N ALA A 72 9.566 -3.071 1.081 1.00 0.00 N ATOM 1126 CA ALA A 72 8.440 -3.310 1.975 1.00 0.00 C ATOM 1127 C ALA A 72 8.900 -3.395 3.427 1.00 0.00 C ATOM 1128 O ALA A 72 9.992 -3.885 3.714 1.00 0.00 O ATOM 1129 CB ALA A 72 7.710 -4.584 1.575 1.00 0.00 C ATOM 0 H ALA A 72 9.732 -3.815 0.404 1.00 0.00 H new ATOM 0 HA ALA A 72 7.753 -2.468 1.888 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.871 -4.750 2.251 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.340 -4.486 0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.396 -5.429 1.632 1.00 0.00 H new ATOM 1135 N ARG A 73 8.060 -2.914 4.337 1.00 0.00 N ATOM 1136 CA ARG A 73 8.382 -2.934 5.759 1.00 0.00 C ATOM 1137 C ARG A 73 8.682 -4.355 6.229 1.00 0.00 C ATOM 1138 O ARG A 73 9.320 -4.556 7.261 1.00 0.00 O ATOM 1139 CB ARG A 73 7.227 -2.350 6.574 1.00 0.00 C ATOM 1140 CG ARG A 73 7.670 -1.670 7.859 1.00 0.00 C ATOM 1141 CD ARG A 73 6.589 -0.749 8.403 1.00 0.00 C ATOM 1142 NE ARG A 73 7.089 0.109 9.474 1.00 0.00 N ATOM 1143 CZ ARG A 73 6.486 1.227 9.863 1.00 0.00 C ATOM 1144 NH1 ARG A 73 5.367 1.620 9.271 1.00 0.00 N ATOM 1145 NH2 ARG A 73 7.003 1.953 10.846 1.00 0.00 N ATOM 0 H ARG A 73 7.152 -2.506 4.115 1.00 0.00 H new ATOM 0 HA ARG A 73 9.272 -2.323 5.912 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.688 -1.629 5.959 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.526 -3.148 6.818 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.916 -2.425 8.606 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.579 -1.097 7.674 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.200 -0.130 7.595 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.757 -1.347 8.776 1.00 0.00 H new ATOM 0 HE ARG A 73 7.949 -0.165 9.950 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.967 1.064 8.515 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.906 2.479 9.571 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.864 1.653 11.303 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.540 2.811 11.144 1.00 0.00 H new ATOM 1159 N ASN A 74 8.217 -5.337 5.463 1.00 0.00 N ATOM 1160 CA ASN A 74 8.434 -6.738 5.801 1.00 0.00 C ATOM 1161 C ASN A 74 9.693 -7.272 5.124 1.00 0.00 C ATOM 1162 O ASN A 74 10.364 -8.162 5.648 1.00 0.00 O ATOM 1163 CB ASN A 74 7.224 -7.578 5.387 1.00 0.00 C ATOM 1164 CG ASN A 74 7.202 -7.866 3.898 1.00 0.00 C ATOM 1165 OD1 ASN A 74 6.809 -7.019 3.096 1.00 0.00 O ATOM 1166 ND2 ASN A 74 7.624 -9.068 3.522 1.00 0.00 N ATOM 0 H ASN A 74 7.688 -5.188 4.604 1.00 0.00 H new ATOM 0 HA ASN A 74 8.565 -6.809 6.881 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.234 -8.519 5.936 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.309 -7.055 5.667 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.631 -9.320 2.534 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.941 -9.739 4.222 1.00 0.00 H new ATOM 1173 N LYS A 75 10.008 -6.723 3.956 1.00 0.00 N ATOM 1174 CA LYS A 75 11.187 -7.141 3.207 1.00 0.00 C ATOM 1175 C LYS A 75 12.456 -6.552 3.815 1.00 0.00 C ATOM 1176 O LYS A 75 13.548 -7.092 3.641 1.00 0.00 O ATOM 1177 CB LYS A 75 11.065 -6.713 1.743 1.00 0.00 C ATOM 1178 CG LYS A 75 9.996 -7.471 0.974 1.00 0.00 C ATOM 1179 CD LYS A 75 10.524 -8.791 0.440 1.00 0.00 C ATOM 1180 CE LYS A 75 11.145 -8.627 -0.938 1.00 0.00 C ATOM 1181 NZ LYS A 75 11.979 -9.802 -1.315 1.00 0.00 N ATOM 0 H LYS A 75 9.463 -5.987 3.507 1.00 0.00 H new ATOM 0 HA LYS A 75 11.251 -8.228 3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.843 -5.647 1.702 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.026 -6.857 1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.141 -7.656 1.624 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.639 -6.859 0.146 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.267 -9.192 1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.711 -9.516 0.390 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.356 -8.489 -1.678 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.758 -7.726 -0.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.384 -9.651 -2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.747 -9.919 -0.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.389 -10.658 -1.324 1.00 0.00 H new ATOM 1195 N VAL A 76 12.304 -5.443 4.531 1.00 0.00 N ATOM 1196 CA VAL A 76 13.437 -4.782 5.168 1.00 0.00 C ATOM 1197 C VAL A 76 14.368 -5.797 5.821 1.00 0.00 C ATOM 1198 O VAL A 76 15.582 -5.600 5.868 1.00 0.00 O ATOM 1199 CB VAL A 76 12.971 -3.770 6.232 1.00 0.00 C ATOM 1200 CG1 VAL A 76 11.831 -2.918 5.696 1.00 0.00 C ATOM 1201 CG2 VAL A 76 12.556 -4.490 7.506 1.00 0.00 C ATOM 0 H VAL A 76 11.407 -4.983 4.685 1.00 0.00 H new ATOM 0 HA VAL A 76 13.976 -4.250 4.384 1.00 0.00 H new ATOM 0 HB VAL A 76 13.805 -3.110 6.470 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.515 -2.209 6.462 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.167 -2.373 4.814 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.992 -3.560 5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.230 -3.760 8.247 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.737 -5.175 7.286 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.403 -5.052 7.899 1.00 0.00 H new ATOM 1211 N ALA A 77 13.791 -6.884 6.324 1.00 0.00 N ATOM 1212 CA ALA A 77 14.570 -7.931 6.972 1.00 0.00 C ATOM 1213 C ALA A 77 15.663 -8.456 6.047 1.00 0.00 C ATOM 1214 O ALA A 77 16.851 -8.262 6.302 1.00 0.00 O ATOM 1215 CB ALA A 77 13.661 -9.068 7.415 1.00 0.00 C ATOM 0 H ALA A 77 12.787 -7.062 6.295 1.00 0.00 H new ATOM 0 HA ALA A 77 15.050 -7.500 7.851 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.257 -9.843 7.897 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.920 -8.689 8.119 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.154 -9.488 6.546 1.00 0.00 H new ATOM 1221 N GLU A 78 15.252 -9.122 4.972 1.00 0.00 N ATOM 1222 CA GLU A 78 16.197 -9.675 4.010 1.00 0.00 C ATOM 1223 C GLU A 78 17.301 -8.670 3.691 1.00 0.00 C ATOM 1224 O GLU A 78 18.473 -9.031 3.586 1.00 0.00 O ATOM 1225 CB GLU A 78 15.473 -10.079 2.724 1.00 0.00 C ATOM 1226 CG GLU A 78 14.812 -11.445 2.800 1.00 0.00 C ATOM 1227 CD GLU A 78 15.782 -12.579 2.531 1.00 0.00 C ATOM 1228 OE1 GLU A 78 16.729 -12.750 3.328 1.00 0.00 O ATOM 1229 OE2 GLU A 78 15.595 -13.294 1.525 1.00 0.00 O ATOM 0 H GLU A 78 14.272 -9.291 4.746 1.00 0.00 H new ATOM 0 HA GLU A 78 16.652 -10.560 4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.715 -9.330 2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.186 -10.075 1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 78 14.371 -11.576 3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.997 -11.490 2.078 1.00 0.00 H new ATOM 1236 N HIS A 79 16.916 -7.407 3.538 1.00 0.00 N ATOM 1237 CA HIS A 79 17.872 -6.349 3.231 1.00 0.00 C ATOM 1238 C HIS A 79 18.796 -6.090 4.417 1.00 0.00 C ATOM 1239 O HIS A 79 20.002 -5.907 4.250 1.00 0.00 O ATOM 1240 CB HIS A 79 17.137 -5.063 2.852 1.00 0.00 C ATOM 1241 CG HIS A 79 17.991 -3.836 2.942 1.00 0.00 C ATOM 1242 ND1 HIS A 79 19.084 -3.618 2.130 1.00 0.00 N ATOM 1243 CD2 HIS A 79 17.907 -2.757 3.755 1.00 0.00 C ATOM 1244 CE1 HIS A 79 19.636 -2.459 2.440 1.00 0.00 C ATOM 1245 NE2 HIS A 79 18.941 -1.916 3.423 1.00 0.00 N ATOM 0 H HIS A 79 15.950 -7.091 3.621 1.00 0.00 H new ATOM 0 HA HIS A 79 18.478 -6.675 2.386 1.00 0.00 H new ATOM 0 HB2 HIS A 79 16.757 -5.158 1.835 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.272 -4.943 3.505 1.00 0.00 H new ATOM 0 HD1 HIS A 79 19.415 -4.253 1.403 1.00 0.00 H new ATOM 0 HD2 HIS A 79 17.165 -2.589 4.522 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.508 -2.028 1.970 1.00 0.00 H new ATOM 1253 N LEU A 80 18.222 -6.077 5.615 1.00 0.00 N ATOM 1254 CA LEU A 80 18.993 -5.840 6.831 1.00 0.00 C ATOM 1255 C LEU A 80 20.180 -6.794 6.918 1.00 0.00 C ATOM 1256 O LEU A 80 21.232 -6.444 7.450 1.00 0.00 O ATOM 1257 CB LEU A 80 18.102 -6.002 8.064 1.00 0.00 C ATOM 1258 CG LEU A 80 17.245 -4.791 8.436 1.00 0.00 C ATOM 1259 CD1 LEU A 80 16.217 -5.170 9.491 1.00 0.00 C ATOM 1260 CD2 LEU A 80 18.122 -3.649 8.928 1.00 0.00 C ATOM 0 H LEU A 80 17.225 -6.228 5.771 1.00 0.00 H new ATOM 0 HA LEU A 80 19.373 -4.819 6.797 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.441 -6.853 7.901 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.736 -6.249 8.916 1.00 0.00 H new ATOM 0 HG LEU A 80 16.714 -4.456 7.545 1.00 0.00 H new ATOM 0 HD11 LEU A 80 15.616 -4.296 9.744 1.00 0.00 H new ATOM 0 HD12 LEU A 80 15.569 -5.956 9.102 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.728 -5.530 10.384 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.496 -2.796 9.188 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.680 -3.971 9.807 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.819 -3.361 8.141 1.00 0.00 H new ATOM 1272 N GLU A 81 20.002 -8.001 6.388 1.00 0.00 N ATOM 1273 CA GLU A 81 21.059 -9.005 6.405 1.00 0.00 C ATOM 1274 C GLU A 81 22.302 -8.499 5.680 1.00 0.00 C ATOM 1275 O GLU A 81 23.424 -8.673 6.154 1.00 0.00 O ATOM 1276 CB GLU A 81 20.570 -10.303 5.759 1.00 0.00 C ATOM 1277 CG GLU A 81 19.369 -10.917 6.458 1.00 0.00 C ATOM 1278 CD GLU A 81 19.256 -12.410 6.220 1.00 0.00 C ATOM 1279 OE1 GLU A 81 20.162 -13.151 6.656 1.00 0.00 O ATOM 1280 OE2 GLU A 81 18.261 -12.838 5.599 1.00 0.00 O ATOM 0 H GLU A 81 19.137 -8.306 5.942 1.00 0.00 H new ATOM 0 HA GLU A 81 21.322 -9.202 7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 81 20.312 -10.106 4.718 1.00 0.00 H new ATOM 0 HB3 GLU A 81 21.386 -11.026 5.754 1.00 0.00 H new ATOM 0 HG2 GLU A 81 19.441 -10.728 7.529 1.00 0.00 H new ATOM 0 HG3 GLU A 81 18.460 -10.427 6.108 1.00 0.00 H new ATOM 1287 N MET A 82 22.093 -7.872 4.527 1.00 0.00 N ATOM 1288 CA MET A 82 23.196 -7.340 3.735 1.00 0.00 C ATOM 1289 C MET A 82 23.159 -5.815 3.708 1.00 0.00 C ATOM 1290 O MET A 82 23.671 -5.188 2.780 1.00 0.00 O ATOM 1291 CB MET A 82 23.139 -7.888 2.308 1.00 0.00 C ATOM 1292 CG MET A 82 21.891 -7.473 1.547 1.00 0.00 C ATOM 1293 SD MET A 82 22.043 -7.735 -0.231 1.00 0.00 S ATOM 1294 CE MET A 82 21.559 -9.455 -0.362 1.00 0.00 C ATOM 0 H MET A 82 21.170 -7.720 4.120 1.00 0.00 H new ATOM 0 HA MET A 82 24.130 -7.656 4.200 1.00 0.00 H new ATOM 0 HB2 MET A 82 24.018 -7.547 1.761 1.00 0.00 H new ATOM 0 HB3 MET A 82 23.188 -8.976 2.343 1.00 0.00 H new ATOM 0 HG2 MET A 82 21.037 -8.037 1.922 1.00 0.00 H new ATOM 0 HG3 MET A 82 21.686 -6.420 1.739 1.00 0.00 H new ATOM 0 HE1 MET A 82 21.602 -9.767 -1.406 1.00 0.00 H new ATOM 0 HE2 MET A 82 22.238 -10.070 0.229 1.00 0.00 H new ATOM 0 HE3 MET A 82 20.542 -9.576 0.011 1.00 0.00 H new ATOM 1304 N CYS A 83 22.552 -5.224 4.731 1.00 0.00 N ATOM 1305 CA CYS A 83 22.448 -3.773 4.825 1.00 0.00 C ATOM 1306 C CYS A 83 23.692 -3.179 5.478 1.00 0.00 C ATOM 1307 O CYS A 83 24.186 -3.671 6.493 1.00 0.00 O ATOM 1308 CB CYS A 83 21.203 -3.380 5.623 1.00 0.00 C ATOM 1309 SG CYS A 83 21.167 -1.632 6.133 1.00 0.00 S ATOM 0 H CYS A 83 22.124 -5.728 5.508 1.00 0.00 H new ATOM 0 HA CYS A 83 22.364 -3.374 3.814 1.00 0.00 H new ATOM 0 HB2 CYS A 83 20.318 -3.590 5.022 1.00 0.00 H new ATOM 0 HB3 CYS A 83 21.141 -4.008 6.512 1.00 0.00 H new ATOM 1314 N PRO A 84 24.213 -2.095 4.883 1.00 0.00 N ATOM 1315 CA PRO A 84 25.406 -1.410 5.390 1.00 0.00 C ATOM 1316 C PRO A 84 25.142 -0.683 6.704 1.00 0.00 C ATOM 1317 O PRO A 84 25.987 -0.673 7.599 1.00 0.00 O ATOM 1318 CB PRO A 84 25.737 -0.408 4.281 1.00 0.00 C ATOM 1319 CG PRO A 84 24.438 -0.161 3.593 1.00 0.00 C ATOM 1320 CD PRO A 84 23.676 -1.455 3.670 1.00 0.00 C ATOM 0 HA PRO A 84 26.215 -2.107 5.609 1.00 0.00 H new ATOM 0 HB2 PRO A 84 26.149 0.514 4.691 1.00 0.00 H new ATOM 0 HB3 PRO A 84 26.479 -0.811 3.592 1.00 0.00 H new ATOM 0 HG2 PRO A 84 23.887 0.646 4.077 1.00 0.00 H new ATOM 0 HG3 PRO A 84 24.596 0.138 2.557 1.00 0.00 H new ATOM 0 HD2 PRO A 84 22.602 -1.285 3.747 1.00 0.00 H new ATOM 0 HD3 PRO A 84 23.839 -2.070 2.785 1.00 0.00 H new ATOM 1328 N ALA A 85 23.965 -0.076 6.813 1.00 0.00 N ATOM 1329 CA ALA A 85 23.590 0.652 8.019 1.00 0.00 C ATOM 1330 C ALA A 85 23.590 -0.267 9.237 1.00 0.00 C ATOM 1331 O ALA A 85 23.995 0.133 10.328 1.00 0.00 O ATOM 1332 CB ALA A 85 22.224 1.297 7.843 1.00 0.00 C ATOM 0 H ALA A 85 23.255 -0.074 6.081 1.00 0.00 H new ATOM 0 HA ALA A 85 24.330 1.434 8.186 1.00 0.00 H new ATOM 0 HB1 ALA A 85 21.957 1.837 8.751 1.00 0.00 H new ATOM 0 HB2 ALA A 85 22.255 1.992 7.004 1.00 0.00 H new ATOM 0 HB3 ALA A 85 21.480 0.525 7.648 1.00 0.00 H new ATOM 1338 N SER A 86 23.131 -1.499 9.042 1.00 0.00 N ATOM 1339 CA SER A 86 23.074 -2.473 10.126 1.00 0.00 C ATOM 1340 C SER A 86 24.425 -2.589 10.824 1.00 0.00 C ATOM 1341 O SER A 86 24.515 -3.078 11.950 1.00 0.00 O ATOM 1342 CB SER A 86 22.646 -3.841 9.589 1.00 0.00 C ATOM 1343 OG SER A 86 22.159 -4.668 10.631 1.00 0.00 O ATOM 0 H SER A 86 22.793 -1.846 8.144 1.00 0.00 H new ATOM 0 HA SER A 86 22.338 -2.128 10.852 1.00 0.00 H new ATOM 0 HB2 SER A 86 21.873 -3.712 8.831 1.00 0.00 H new ATOM 0 HB3 SER A 86 23.492 -4.325 9.102 1.00 0.00 H new ATOM 0 HG SER A 86 21.891 -5.535 10.262 1.00 0.00 H new ATOM 1349 N VAL A 87 25.475 -2.134 10.148 1.00 0.00 N ATOM 1350 CA VAL A 87 26.823 -2.185 10.702 1.00 0.00 C ATOM 1351 C VAL A 87 27.010 -3.418 11.578 1.00 0.00 C ATOM 1352 O VAL A 87 27.659 -3.357 12.623 1.00 0.00 O ATOM 1353 CB VAL A 87 27.135 -0.926 11.532 1.00 0.00 C ATOM 1354 CG1 VAL A 87 27.052 0.321 10.665 1.00 0.00 C ATOM 1355 CG2 VAL A 87 26.190 -0.823 12.720 1.00 0.00 C ATOM 0 H VAL A 87 25.418 -1.726 9.215 1.00 0.00 H new ATOM 0 HA VAL A 87 27.512 -2.235 9.858 1.00 0.00 H new ATOM 0 HB VAL A 87 28.153 -1.007 11.912 1.00 0.00 H new ATOM 0 HG11 VAL A 87 27.276 1.200 11.270 1.00 0.00 H new ATOM 0 HG12 VAL A 87 27.773 0.247 9.851 1.00 0.00 H new ATOM 0 HG13 VAL A 87 26.047 0.411 10.252 1.00 0.00 H new ATOM 0 HG21 VAL A 87 26.425 0.072 13.295 1.00 0.00 H new ATOM 0 HG22 VAL A 87 25.162 -0.766 12.363 1.00 0.00 H new ATOM 0 HG23 VAL A 87 26.305 -1.702 13.354 1.00 0.00 H new ATOM 1365 N SER A 88 26.438 -4.537 11.146 1.00 0.00 N ATOM 1366 CA SER A 88 26.539 -5.786 11.893 1.00 0.00 C ATOM 1367 C SER A 88 27.334 -6.825 11.108 1.00 0.00 C ATOM 1368 O SER A 88 27.040 -7.099 9.945 1.00 0.00 O ATOM 1369 CB SER A 88 25.145 -6.327 12.213 1.00 0.00 C ATOM 1370 OG SER A 88 25.215 -7.404 13.131 1.00 0.00 O ATOM 0 H SER A 88 25.900 -4.605 10.282 1.00 0.00 H new ATOM 0 HA SER A 88 27.064 -5.582 12.826 1.00 0.00 H new ATOM 0 HB2 SER A 88 24.529 -5.530 12.629 1.00 0.00 H new ATOM 0 HB3 SER A 88 24.660 -6.659 11.295 1.00 0.00 H new ATOM 0 HG SER A 88 24.311 -7.731 13.321 1.00 0.00 H new ATOM 1376 N GLY A 89 28.343 -7.401 11.755 1.00 0.00 N ATOM 1377 CA GLY A 89 29.165 -8.404 11.103 1.00 0.00 C ATOM 1378 C GLY A 89 28.754 -9.817 11.468 1.00 0.00 C ATOM 1379 O GLY A 89 27.790 -10.036 12.202 1.00 0.00 O ATOM 0 H GLY A 89 28.606 -7.191 12.718 1.00 0.00 H new ATOM 0 HA2 GLY A 89 29.099 -8.277 10.022 1.00 0.00 H new ATOM 0 HA3 GLY A 89 30.208 -8.250 11.379 1.00 0.00 H new ATOM 1383 N PRO A 90 29.496 -10.806 10.947 1.00 0.00 N ATOM 1384 CA PRO A 90 29.221 -12.222 11.208 1.00 0.00 C ATOM 1385 C PRO A 90 29.530 -12.617 12.648 1.00 0.00 C ATOM 1386 O PRO A 90 30.663 -12.968 12.976 1.00 0.00 O ATOM 1387 CB PRO A 90 30.160 -12.949 10.241 1.00 0.00 C ATOM 1388 CG PRO A 90 31.273 -11.989 10.001 1.00 0.00 C ATOM 1389 CD PRO A 90 30.659 -10.618 10.064 1.00 0.00 C ATOM 0 HA PRO A 90 28.168 -12.466 11.066 1.00 0.00 H new ATOM 0 HB2 PRO A 90 30.527 -13.881 10.671 1.00 0.00 H new ATOM 0 HB3 PRO A 90 29.651 -13.205 9.312 1.00 0.00 H new ATOM 0 HG2 PRO A 90 32.054 -12.102 10.753 1.00 0.00 H new ATOM 0 HG3 PRO A 90 31.737 -12.164 9.030 1.00 0.00 H new ATOM 0 HD2 PRO A 90 31.356 -9.884 10.468 1.00 0.00 H new ATOM 0 HD3 PRO A 90 30.361 -10.265 9.077 1.00 0.00 H new ATOM 1397 N SER A 91 28.514 -12.558 13.503 1.00 0.00 N ATOM 1398 CA SER A 91 28.679 -12.906 14.910 1.00 0.00 C ATOM 1399 C SER A 91 29.930 -12.253 15.489 1.00 0.00 C ATOM 1400 O SER A 91 30.679 -12.878 16.240 1.00 0.00 O ATOM 1401 CB SER A 91 28.759 -14.425 15.075 1.00 0.00 C ATOM 1402 OG SER A 91 30.026 -14.915 14.671 1.00 0.00 O ATOM 0 H SER A 91 27.569 -12.273 13.247 1.00 0.00 H new ATOM 0 HA SER A 91 27.812 -12.533 15.455 1.00 0.00 H new ATOM 0 HB2 SER A 91 28.578 -14.691 16.116 1.00 0.00 H new ATOM 0 HB3 SER A 91 27.976 -14.900 14.484 1.00 0.00 H new ATOM 0 HG SER A 91 30.484 -14.235 14.134 1.00 0.00 H new ATOM 1408 N SER A 92 30.150 -10.991 15.133 1.00 0.00 N ATOM 1409 CA SER A 92 31.312 -10.253 15.614 1.00 0.00 C ATOM 1410 C SER A 92 31.126 -9.835 17.069 1.00 0.00 C ATOM 1411 O SER A 92 32.039 -9.962 17.884 1.00 0.00 O ATOM 1412 CB SER A 92 31.554 -9.018 14.743 1.00 0.00 C ATOM 1413 OG SER A 92 31.878 -9.387 13.414 1.00 0.00 O ATOM 0 H SER A 92 29.539 -10.459 14.513 1.00 0.00 H new ATOM 0 HA SER A 92 32.180 -10.909 15.551 1.00 0.00 H new ATOM 0 HB2 SER A 92 30.664 -8.389 14.742 1.00 0.00 H new ATOM 0 HB3 SER A 92 32.364 -8.423 15.166 1.00 0.00 H new ATOM 0 HG SER A 92 32.026 -8.580 12.877 1.00 0.00 H new ATOM 1419 N GLY A 93 29.936 -9.334 17.387 1.00 0.00 N ATOM 1420 CA GLY A 93 29.651 -8.904 18.743 1.00 0.00 C ATOM 1421 C GLY A 93 29.089 -7.497 18.800 1.00 0.00 C ATOM 1422 O GLY A 93 28.292 -7.106 17.948 1.00 0.00 O ATOM 0 H GLY A 93 29.165 -9.218 16.730 1.00 0.00 H new ATOM 0 HA2 GLY A 93 28.941 -9.594 19.198 1.00 0.00 H new ATOM 0 HA3 GLY A 93 30.565 -8.951 19.335 1.00 0.00 H new TER 1426 GLY A 93 HETATM 1427 ZN ZN A 401 -15.746 3.000 3.731 1.00 0.00 ZN HETATM 1428 ZN ZN A 501 -16.837 -2.871 7.281 1.00 0.00 ZN HETATM 1429 ZN ZN A 601 -2.150 -4.142 2.780 1.00 0.00 ZN HETATM 1430 ZN ZN A 701 19.581 -0.546 4.801 1.00 0.00 ZN