USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 728 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 39 ASN : amide:sc= -6.33! C(o=-6.9!,f=-9.7!) USER MOD Set 1.2: A 43 THR OG1 : rot 153:sc= -0.52 USER MOD Set 2.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.0166 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00292 USER MOD Single : A 3 SER OG : rot 33:sc= 0.998 USER MOD Single : A 5 SER OG : rot 7:sc= 0.65 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0451 X(o=-0.045,f=-0.045) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= 1.08 F(o=-0.15,f=1.1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 31:sc= 0.283 USER MOD Single : A 26 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.096) USER MOD Single : A 28 MET CE :methyl -168:sc= -0.265 (180deg=-1.05) USER MOD Single : A 30 THR OG1 : rot 180:sc=0.000333 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-2.4) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 HIS : no HD1:sc=-0.00384 X(o=-0.0038,f=-0.059) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -164:sc= -0.464 (180deg=-0.669) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 8:sc= 0.594 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -8.08! C(o=-8.1!,f=-9.2!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 19:sc= 0.5 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 62.628 -25.388 -48.666 1.00 0.00 N ATOM 2 CA GLY A 1 61.721 -24.257 -48.610 1.00 0.00 C ATOM 3 C GLY A 1 61.316 -23.909 -47.191 1.00 0.00 C ATOM 4 O GLY A 1 61.132 -24.794 -46.356 1.00 0.00 O ATOM 0 H1 GLY A 1 62.346 -26.021 -49.441 1.00 0.00 H new ATOM 0 H2 GLY A 1 63.597 -25.048 -48.832 1.00 0.00 H new ATOM 0 H3 GLY A 1 62.593 -25.906 -47.765 1.00 0.00 H new ATOM 0 HA2 GLY A 1 62.196 -23.391 -49.072 1.00 0.00 H new ATOM 0 HA3 GLY A 1 60.829 -24.481 -49.195 1.00 0.00 H new ATOM 8 N SER A 2 61.179 -22.616 -46.917 1.00 0.00 N ATOM 9 CA SER A 2 60.799 -22.152 -45.588 1.00 0.00 C ATOM 10 C SER A 2 59.938 -20.896 -45.676 1.00 0.00 C ATOM 11 O SER A 2 59.806 -20.294 -46.742 1.00 0.00 O ATOM 12 CB SER A 2 62.046 -21.871 -44.747 1.00 0.00 C ATOM 13 OG SER A 2 62.907 -22.996 -44.720 1.00 0.00 O ATOM 0 H SER A 2 61.326 -21.871 -47.598 1.00 0.00 H new ATOM 0 HA SER A 2 60.216 -22.938 -45.109 1.00 0.00 H new ATOM 0 HB2 SER A 2 62.578 -21.012 -45.156 1.00 0.00 H new ATOM 0 HB3 SER A 2 61.752 -21.610 -43.730 1.00 0.00 H new ATOM 0 HG SER A 2 63.697 -22.790 -44.178 1.00 0.00 H new ATOM 19 N SER A 3 59.353 -20.506 -44.548 1.00 0.00 N ATOM 20 CA SER A 3 58.501 -19.324 -44.497 1.00 0.00 C ATOM 21 C SER A 3 58.317 -18.848 -43.059 1.00 0.00 C ATOM 22 O SER A 3 58.585 -19.584 -42.111 1.00 0.00 O ATOM 23 CB SER A 3 57.138 -19.624 -45.125 1.00 0.00 C ATOM 24 OG SER A 3 57.179 -19.462 -46.532 1.00 0.00 O ATOM 0 H SER A 3 59.454 -20.992 -43.657 1.00 0.00 H new ATOM 0 HA SER A 3 58.988 -18.531 -45.064 1.00 0.00 H new ATOM 0 HB2 SER A 3 56.838 -20.643 -44.882 1.00 0.00 H new ATOM 0 HB3 SER A 3 56.385 -18.960 -44.701 1.00 0.00 H new ATOM 0 HG SER A 3 58.067 -19.709 -46.864 1.00 0.00 H new ATOM 30 N GLY A 4 57.858 -17.609 -42.907 1.00 0.00 N ATOM 31 CA GLY A 4 57.646 -17.055 -41.583 1.00 0.00 C ATOM 32 C GLY A 4 56.569 -15.989 -41.566 1.00 0.00 C ATOM 33 O GLY A 4 56.283 -15.370 -42.591 1.00 0.00 O ATOM 0 H GLY A 4 57.630 -16.980 -43.677 1.00 0.00 H new ATOM 0 HA2 GLY A 4 57.371 -17.856 -40.897 1.00 0.00 H new ATOM 0 HA3 GLY A 4 58.580 -16.629 -41.217 1.00 0.00 H new ATOM 37 N SER A 5 55.969 -15.774 -40.400 1.00 0.00 N ATOM 38 CA SER A 5 54.913 -14.779 -40.255 1.00 0.00 C ATOM 39 C SER A 5 54.793 -14.320 -38.805 1.00 0.00 C ATOM 40 O SER A 5 55.249 -15.002 -37.887 1.00 0.00 O ATOM 41 CB SER A 5 53.576 -15.350 -40.733 1.00 0.00 C ATOM 42 OG SER A 5 53.582 -15.557 -42.135 1.00 0.00 O ATOM 0 H SER A 5 56.196 -16.276 -39.541 1.00 0.00 H new ATOM 0 HA SER A 5 55.173 -13.918 -40.870 1.00 0.00 H new ATOM 0 HB2 SER A 5 53.377 -16.293 -40.224 1.00 0.00 H new ATOM 0 HB3 SER A 5 52.769 -14.667 -40.466 1.00 0.00 H new ATOM 0 HG SER A 5 54.482 -15.392 -42.486 1.00 0.00 H new ATOM 48 N SER A 6 54.177 -13.159 -38.607 1.00 0.00 N ATOM 49 CA SER A 6 54.001 -12.605 -37.270 1.00 0.00 C ATOM 50 C SER A 6 52.936 -11.512 -37.270 1.00 0.00 C ATOM 51 O SER A 6 52.771 -10.792 -38.253 1.00 0.00 O ATOM 52 CB SER A 6 55.325 -12.043 -36.748 1.00 0.00 C ATOM 53 OG SER A 6 55.391 -12.120 -35.335 1.00 0.00 O ATOM 0 H SER A 6 53.791 -12.584 -39.356 1.00 0.00 H new ATOM 0 HA SER A 6 53.672 -13.409 -36.612 1.00 0.00 H new ATOM 0 HB2 SER A 6 56.156 -12.597 -37.185 1.00 0.00 H new ATOM 0 HB3 SER A 6 55.433 -11.005 -37.064 1.00 0.00 H new ATOM 0 HG SER A 6 56.247 -11.756 -35.027 1.00 0.00 H new ATOM 59 N GLY A 7 52.216 -11.396 -36.158 1.00 0.00 N ATOM 60 CA GLY A 7 51.176 -10.389 -36.050 1.00 0.00 C ATOM 61 C GLY A 7 50.937 -9.954 -34.618 1.00 0.00 C ATOM 62 O GLY A 7 51.348 -10.635 -33.679 1.00 0.00 O ATOM 0 H GLY A 7 52.334 -11.981 -35.331 1.00 0.00 H new ATOM 0 HA2 GLY A 7 51.451 -9.521 -36.649 1.00 0.00 H new ATOM 0 HA3 GLY A 7 50.249 -10.783 -36.467 1.00 0.00 H new ATOM 66 N MET A 8 50.273 -8.815 -34.451 1.00 0.00 N ATOM 67 CA MET A 8 49.981 -8.290 -33.122 1.00 0.00 C ATOM 68 C MET A 8 48.622 -7.598 -33.098 1.00 0.00 C ATOM 69 O MET A 8 47.961 -7.474 -34.128 1.00 0.00 O ATOM 70 CB MET A 8 51.073 -7.310 -32.686 1.00 0.00 C ATOM 71 CG MET A 8 52.335 -7.992 -32.183 1.00 0.00 C ATOM 72 SD MET A 8 53.521 -8.317 -33.501 1.00 0.00 S ATOM 73 CE MET A 8 54.484 -9.640 -32.771 1.00 0.00 C ATOM 0 H MET A 8 49.927 -8.238 -35.218 1.00 0.00 H new ATOM 0 HA MET A 8 49.955 -9.128 -32.425 1.00 0.00 H new ATOM 0 HB2 MET A 8 51.329 -6.666 -33.527 1.00 0.00 H new ATOM 0 HB3 MET A 8 50.679 -6.666 -31.899 1.00 0.00 H new ATOM 0 HG2 MET A 8 52.804 -7.366 -31.424 1.00 0.00 H new ATOM 0 HG3 MET A 8 52.068 -8.932 -31.700 1.00 0.00 H new ATOM 0 HE1 MET A 8 55.262 -9.951 -33.468 1.00 0.00 H new ATOM 0 HE2 MET A 8 54.944 -9.288 -31.848 1.00 0.00 H new ATOM 0 HE3 MET A 8 53.833 -10.486 -32.552 1.00 0.00 H new ATOM 83 N GLU A 9 48.211 -7.150 -31.915 1.00 0.00 N ATOM 84 CA GLU A 9 46.930 -6.472 -31.758 1.00 0.00 C ATOM 85 C GLU A 9 46.965 -5.509 -30.575 1.00 0.00 C ATOM 86 O GLU A 9 47.771 -5.665 -29.657 1.00 0.00 O ATOM 87 CB GLU A 9 45.807 -7.494 -31.565 1.00 0.00 C ATOM 88 CG GLU A 9 45.413 -8.215 -32.843 1.00 0.00 C ATOM 89 CD GLU A 9 44.005 -8.774 -32.787 1.00 0.00 C ATOM 90 OE1 GLU A 9 43.509 -9.024 -31.668 1.00 0.00 O ATOM 91 OE2 GLU A 9 43.399 -8.962 -33.862 1.00 0.00 O ATOM 0 H GLU A 9 48.747 -7.245 -31.052 1.00 0.00 H new ATOM 0 HA GLU A 9 46.738 -5.899 -32.665 1.00 0.00 H new ATOM 0 HB2 GLU A 9 46.120 -8.230 -30.825 1.00 0.00 H new ATOM 0 HB3 GLU A 9 44.932 -6.987 -31.159 1.00 0.00 H new ATOM 0 HG2 GLU A 9 45.493 -7.526 -33.684 1.00 0.00 H new ATOM 0 HG3 GLU A 9 46.115 -9.028 -33.029 1.00 0.00 H new ATOM 98 N LEU A 10 46.087 -4.513 -30.605 1.00 0.00 N ATOM 99 CA LEU A 10 46.016 -3.523 -29.536 1.00 0.00 C ATOM 100 C LEU A 10 44.574 -3.093 -29.286 1.00 0.00 C ATOM 101 O LEU A 10 43.663 -3.483 -30.016 1.00 0.00 O ATOM 102 CB LEU A 10 46.870 -2.303 -29.887 1.00 0.00 C ATOM 103 CG LEU A 10 48.353 -2.573 -30.145 1.00 0.00 C ATOM 104 CD1 LEU A 10 48.591 -2.882 -31.615 1.00 0.00 C ATOM 105 CD2 LEU A 10 49.196 -1.386 -29.703 1.00 0.00 C ATOM 0 H LEU A 10 45.414 -4.369 -31.358 1.00 0.00 H new ATOM 0 HA LEU A 10 46.402 -3.980 -28.625 1.00 0.00 H new ATOM 0 HB2 LEU A 10 46.447 -1.832 -30.774 1.00 0.00 H new ATOM 0 HB3 LEU A 10 46.789 -1.582 -29.074 1.00 0.00 H new ATOM 0 HG LEU A 10 48.652 -3.442 -29.560 1.00 0.00 H new ATOM 0 HD11 LEU A 10 49.652 -3.071 -31.780 1.00 0.00 H new ATOM 0 HD12 LEU A 10 48.016 -3.764 -31.899 1.00 0.00 H new ATOM 0 HD13 LEU A 10 48.276 -2.033 -32.221 1.00 0.00 H new ATOM 0 HD21 LEU A 10 50.248 -1.596 -29.894 1.00 0.00 H new ATOM 0 HD22 LEU A 10 48.896 -0.499 -30.261 1.00 0.00 H new ATOM 0 HD23 LEU A 10 49.049 -1.212 -28.637 1.00 0.00 H new ATOM 117 N THR A 11 44.374 -2.286 -28.249 1.00 0.00 N ATOM 118 CA THR A 11 43.044 -1.802 -27.903 1.00 0.00 C ATOM 119 C THR A 11 43.107 -0.404 -27.298 1.00 0.00 C ATOM 120 O THR A 11 44.189 0.145 -27.091 1.00 0.00 O ATOM 121 CB THR A 11 42.344 -2.747 -26.908 1.00 0.00 C ATOM 122 OG1 THR A 11 43.153 -2.915 -25.739 1.00 0.00 O ATOM 123 CG2 THR A 11 42.078 -4.102 -27.546 1.00 0.00 C ATOM 0 H THR A 11 45.117 -1.954 -27.634 1.00 0.00 H new ATOM 0 HA THR A 11 42.469 -1.769 -28.829 1.00 0.00 H new ATOM 0 HB THR A 11 41.390 -2.301 -26.627 1.00 0.00 H new ATOM 0 HG1 THR A 11 42.700 -3.516 -25.111 1.00 0.00 H new ATOM 0 HG21 THR A 11 41.583 -4.753 -26.825 1.00 0.00 H new ATOM 0 HG22 THR A 11 41.437 -3.974 -28.419 1.00 0.00 H new ATOM 0 HG23 THR A 11 43.023 -4.552 -27.852 1.00 0.00 H new ATOM 131 N PHE A 12 41.941 0.168 -27.017 1.00 0.00 N ATOM 132 CA PHE A 12 41.864 1.503 -26.437 1.00 0.00 C ATOM 133 C PHE A 12 40.565 1.683 -25.656 1.00 0.00 C ATOM 134 O PHE A 12 39.539 1.096 -25.995 1.00 0.00 O ATOM 135 CB PHE A 12 41.965 2.566 -27.533 1.00 0.00 C ATOM 136 CG PHE A 12 41.857 3.972 -27.016 1.00 0.00 C ATOM 137 CD1 PHE A 12 42.912 4.557 -26.336 1.00 0.00 C ATOM 138 CD2 PHE A 12 40.700 4.709 -27.211 1.00 0.00 C ATOM 139 CE1 PHE A 12 42.817 5.851 -25.860 1.00 0.00 C ATOM 140 CE2 PHE A 12 40.598 6.003 -26.737 1.00 0.00 C ATOM 141 CZ PHE A 12 41.657 6.575 -26.060 1.00 0.00 C ATOM 0 H PHE A 12 41.036 -0.273 -27.182 1.00 0.00 H new ATOM 0 HA PHE A 12 42.701 1.621 -25.748 1.00 0.00 H new ATOM 0 HB2 PHE A 12 42.916 2.451 -28.053 1.00 0.00 H new ATOM 0 HB3 PHE A 12 41.177 2.396 -28.267 1.00 0.00 H new ATOM 0 HD1 PHE A 12 43.820 3.995 -26.176 1.00 0.00 H new ATOM 0 HD2 PHE A 12 39.868 4.267 -27.740 1.00 0.00 H new ATOM 0 HE1 PHE A 12 43.648 6.296 -25.333 1.00 0.00 H new ATOM 0 HE2 PHE A 12 39.691 6.567 -26.896 1.00 0.00 H new ATOM 0 HZ PHE A 12 41.579 7.586 -25.688 1.00 0.00 H new ATOM 151 N ASN A 13 40.620 2.499 -24.609 1.00 0.00 N ATOM 152 CA ASN A 13 39.448 2.756 -23.778 1.00 0.00 C ATOM 153 C ASN A 13 39.237 4.255 -23.585 1.00 0.00 C ATOM 154 O ASN A 13 40.098 5.062 -23.933 1.00 0.00 O ATOM 155 CB ASN A 13 39.601 2.071 -22.419 1.00 0.00 C ATOM 156 CG ASN A 13 40.237 0.699 -22.531 1.00 0.00 C ATOM 157 OD1 ASN A 13 39.582 -0.271 -22.911 1.00 0.00 O ATOM 158 ND2 ASN A 13 41.519 0.613 -22.198 1.00 0.00 N ATOM 0 H ASN A 13 41.462 2.994 -24.315 1.00 0.00 H new ATOM 0 HA ASN A 13 38.575 2.347 -24.287 1.00 0.00 H new ATOM 0 HB2 ASN A 13 40.208 2.698 -21.766 1.00 0.00 H new ATOM 0 HB3 ASN A 13 38.621 1.977 -21.950 1.00 0.00 H new ATOM 0 HD21 ASN A 13 42.001 -0.284 -22.252 1.00 0.00 H new ATOM 0 HD22 ASN A 13 42.022 1.444 -21.888 1.00 0.00 H new ATOM 165 N GLN A 14 38.086 4.617 -23.027 1.00 0.00 N ATOM 166 CA GLN A 14 37.763 6.019 -22.787 1.00 0.00 C ATOM 167 C GLN A 14 37.135 6.204 -21.409 1.00 0.00 C ATOM 168 O GLN A 14 36.671 5.245 -20.794 1.00 0.00 O ATOM 169 CB GLN A 14 36.812 6.536 -23.868 1.00 0.00 C ATOM 170 CG GLN A 14 35.464 5.833 -23.880 1.00 0.00 C ATOM 171 CD GLN A 14 34.632 6.188 -25.096 1.00 0.00 C ATOM 172 OE1 GLN A 14 35.122 6.167 -26.226 1.00 0.00 O ATOM 173 NE2 GLN A 14 33.365 6.516 -24.872 1.00 0.00 N ATOM 0 H GLN A 14 37.363 3.960 -22.733 1.00 0.00 H new ATOM 0 HA GLN A 14 38.690 6.592 -22.824 1.00 0.00 H new ATOM 0 HB2 GLN A 14 36.654 7.604 -23.720 1.00 0.00 H new ATOM 0 HB3 GLN A 14 37.284 6.415 -24.843 1.00 0.00 H new ATOM 0 HG2 GLN A 14 35.621 4.755 -23.854 1.00 0.00 H new ATOM 0 HG3 GLN A 14 34.913 6.097 -22.978 1.00 0.00 H new ATOM 0 HE21 GLN A 14 33.000 6.520 -23.920 1.00 0.00 H new ATOM 0 HE22 GLN A 14 32.757 6.764 -25.652 1.00 0.00 H new ATOM 182 N ALA A 15 37.125 7.444 -20.932 1.00 0.00 N ATOM 183 CA ALA A 15 36.552 7.756 -19.628 1.00 0.00 C ATOM 184 C ALA A 15 36.360 9.259 -19.457 1.00 0.00 C ATOM 185 O ALA A 15 36.718 10.043 -20.335 1.00 0.00 O ATOM 186 CB ALA A 15 37.437 7.206 -18.518 1.00 0.00 C ATOM 0 H ALA A 15 37.507 8.249 -21.429 1.00 0.00 H new ATOM 0 HA ALA A 15 35.572 7.282 -19.567 1.00 0.00 H new ATOM 0 HB1 ALA A 15 36.998 7.446 -17.550 1.00 0.00 H new ATOM 0 HB2 ALA A 15 37.520 6.124 -18.621 1.00 0.00 H new ATOM 0 HB3 ALA A 15 38.428 7.654 -18.588 1.00 0.00 H new ATOM 192 N ALA A 16 35.792 9.653 -18.323 1.00 0.00 N ATOM 193 CA ALA A 16 35.553 11.063 -18.037 1.00 0.00 C ATOM 194 C ALA A 16 35.008 11.252 -16.626 1.00 0.00 C ATOM 195 O ALA A 16 33.909 10.799 -16.307 1.00 0.00 O ATOM 196 CB ALA A 16 34.594 11.653 -19.060 1.00 0.00 C ATOM 0 H ALA A 16 35.488 9.016 -17.587 1.00 0.00 H new ATOM 0 HA ALA A 16 36.505 11.589 -18.103 1.00 0.00 H new ATOM 0 HB1 ALA A 16 34.424 12.706 -18.835 1.00 0.00 H new ATOM 0 HB2 ALA A 16 35.024 11.560 -20.057 1.00 0.00 H new ATOM 0 HB3 ALA A 16 33.646 11.116 -19.022 1.00 0.00 H new ATOM 202 N LYS A 17 35.784 11.925 -15.782 1.00 0.00 N ATOM 203 CA LYS A 17 35.379 12.175 -14.404 1.00 0.00 C ATOM 204 C LYS A 17 36.296 13.202 -13.746 1.00 0.00 C ATOM 205 O LYS A 17 37.516 13.142 -13.892 1.00 0.00 O ATOM 206 CB LYS A 17 35.395 10.873 -13.601 1.00 0.00 C ATOM 207 CG LYS A 17 34.665 10.968 -12.272 1.00 0.00 C ATOM 208 CD LYS A 17 33.183 10.672 -12.428 1.00 0.00 C ATOM 209 CE LYS A 17 32.560 10.241 -11.109 1.00 0.00 C ATOM 210 NZ LYS A 17 32.467 11.371 -10.144 1.00 0.00 N ATOM 0 H LYS A 17 36.697 12.307 -16.029 1.00 0.00 H new ATOM 0 HA LYS A 17 34.365 12.574 -14.416 1.00 0.00 H new ATOM 0 HB2 LYS A 17 34.942 10.082 -14.199 1.00 0.00 H new ATOM 0 HB3 LYS A 17 36.429 10.582 -13.418 1.00 0.00 H new ATOM 0 HG2 LYS A 17 35.105 10.266 -11.563 1.00 0.00 H new ATOM 0 HG3 LYS A 17 34.796 11.966 -11.855 1.00 0.00 H new ATOM 0 HD2 LYS A 17 32.671 11.559 -12.801 1.00 0.00 H new ATOM 0 HD3 LYS A 17 33.044 9.887 -13.171 1.00 0.00 H new ATOM 0 HE2 LYS A 17 31.564 9.837 -11.292 1.00 0.00 H new ATOM 0 HE3 LYS A 17 33.154 9.438 -10.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 32.037 11.036 -9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 33.419 11.740 -9.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 31.879 12.127 -10.550 1.00 0.00 H new ATOM 224 N GLY A 18 35.700 14.142 -13.019 1.00 0.00 N ATOM 225 CA GLY A 18 36.478 15.166 -12.349 1.00 0.00 C ATOM 226 C GLY A 18 35.808 15.671 -11.086 1.00 0.00 C ATOM 227 O GLY A 18 34.684 15.279 -10.772 1.00 0.00 O ATOM 0 H GLY A 18 34.692 14.212 -12.882 1.00 0.00 H new ATOM 0 HA2 GLY A 18 37.461 14.766 -12.100 1.00 0.00 H new ATOM 0 HA3 GLY A 18 36.637 16.001 -13.031 1.00 0.00 H new ATOM 231 N VAL A 19 36.499 16.542 -10.358 1.00 0.00 N ATOM 232 CA VAL A 19 35.964 17.101 -9.122 1.00 0.00 C ATOM 233 C VAL A 19 35.287 18.444 -9.374 1.00 0.00 C ATOM 234 O VAL A 19 35.721 19.219 -10.225 1.00 0.00 O ATOM 235 CB VAL A 19 37.069 17.285 -8.065 1.00 0.00 C ATOM 236 CG1 VAL A 19 38.125 18.260 -8.561 1.00 0.00 C ATOM 237 CG2 VAL A 19 36.472 17.758 -6.748 1.00 0.00 C ATOM 0 H VAL A 19 37.431 16.876 -10.603 1.00 0.00 H new ATOM 0 HA VAL A 19 35.227 16.391 -8.746 1.00 0.00 H new ATOM 0 HB VAL A 19 37.550 16.322 -7.895 1.00 0.00 H new ATOM 0 HG11 VAL A 19 38.897 18.377 -7.801 1.00 0.00 H new ATOM 0 HG12 VAL A 19 38.573 17.876 -9.477 1.00 0.00 H new ATOM 0 HG13 VAL A 19 37.663 19.227 -8.761 1.00 0.00 H new ATOM 0 HG21 VAL A 19 37.267 17.883 -6.012 1.00 0.00 H new ATOM 0 HG22 VAL A 19 35.965 18.711 -6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 19 35.756 17.020 -6.387 1.00 0.00 H new ATOM 247 N ASN A 20 34.221 18.712 -8.627 1.00 0.00 N ATOM 248 CA ASN A 20 33.483 19.962 -8.769 1.00 0.00 C ATOM 249 C ASN A 20 33.118 20.536 -7.404 1.00 0.00 C ATOM 250 O ASN A 20 32.468 19.876 -6.593 1.00 0.00 O ATOM 251 CB ASN A 20 32.216 19.740 -9.597 1.00 0.00 C ATOM 252 CG ASN A 20 31.575 18.393 -9.321 1.00 0.00 C ATOM 253 OD1 ASN A 20 31.267 17.657 -10.383 1.00 0.00 O flip ATOM 254 ND2 ASN A 20 31.359 18.020 -8.168 1.00 0.00 N flip ATOM 0 H ASN A 20 33.849 18.081 -7.917 1.00 0.00 H new ATOM 0 HA ASN A 20 34.125 20.677 -9.284 1.00 0.00 H new ATOM 0 HB2 ASN A 20 31.499 20.532 -9.380 1.00 0.00 H new ATOM 0 HB3 ASN A 20 32.460 19.813 -10.657 1.00 0.00 H new ATOM 0 HD21 ASN A 20 31.612 18.619 -7.382 1.00 0.00 H new ATOM 0 HD22 ASN A 20 30.927 17.112 -7.998 1.00 0.00 H new ATOM 261 N LYS A 21 33.541 21.771 -7.155 1.00 0.00 N ATOM 262 CA LYS A 21 33.258 22.437 -5.889 1.00 0.00 C ATOM 263 C LYS A 21 33.747 23.882 -5.913 1.00 0.00 C ATOM 264 O LYS A 21 34.948 24.139 -5.982 1.00 0.00 O ATOM 265 CB LYS A 21 33.921 21.683 -4.733 1.00 0.00 C ATOM 266 CG LYS A 21 33.625 22.281 -3.369 1.00 0.00 C ATOM 267 CD LYS A 21 33.803 21.256 -2.261 1.00 0.00 C ATOM 268 CE LYS A 21 34.145 21.920 -0.937 1.00 0.00 C ATOM 269 NZ LYS A 21 34.793 20.970 0.010 1.00 0.00 N ATOM 0 H LYS A 21 34.082 22.331 -7.814 1.00 0.00 H new ATOM 0 HA LYS A 21 32.178 22.439 -5.742 1.00 0.00 H new ATOM 0 HB2 LYS A 21 33.585 20.646 -4.747 1.00 0.00 H new ATOM 0 HB3 LYS A 21 35.000 21.671 -4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 21 34.286 23.129 -3.191 1.00 0.00 H new ATOM 0 HG3 LYS A 21 32.604 22.663 -3.352 1.00 0.00 H new ATOM 0 HD2 LYS A 21 32.888 20.674 -2.152 1.00 0.00 H new ATOM 0 HD3 LYS A 21 34.594 20.557 -2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 21 34.810 22.765 -1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 21 33.237 22.319 -0.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 35.010 21.461 0.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 34.149 20.176 0.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 35.673 20.608 -0.409 1.00 0.00 H new ATOM 283 N GLU A 22 32.807 24.821 -5.855 1.00 0.00 N ATOM 284 CA GLU A 22 33.143 26.239 -5.870 1.00 0.00 C ATOM 285 C GLU A 22 32.510 26.961 -4.684 1.00 0.00 C ATOM 286 O GLU A 22 33.187 27.674 -3.943 1.00 0.00 O ATOM 287 CB GLU A 22 32.681 26.882 -7.179 1.00 0.00 C ATOM 288 CG GLU A 22 31.199 26.695 -7.459 1.00 0.00 C ATOM 289 CD GLU A 22 30.821 27.070 -8.879 1.00 0.00 C ATOM 290 OE1 GLU A 22 31.260 28.143 -9.345 1.00 0.00 O ATOM 291 OE2 GLU A 22 30.088 26.292 -9.523 1.00 0.00 O ATOM 0 H GLU A 22 31.808 24.625 -5.797 1.00 0.00 H new ATOM 0 HA GLU A 22 34.226 26.330 -5.792 1.00 0.00 H new ATOM 0 HB2 GLU A 22 32.905 27.948 -7.149 1.00 0.00 H new ATOM 0 HB3 GLU A 22 33.254 26.459 -8.004 1.00 0.00 H new ATOM 0 HG2 GLU A 22 30.927 25.655 -7.277 1.00 0.00 H new ATOM 0 HG3 GLU A 22 30.622 27.302 -6.761 1.00 0.00 H new ATOM 298 N PHE A 23 31.206 26.772 -4.512 1.00 0.00 N ATOM 299 CA PHE A 23 30.479 27.406 -3.418 1.00 0.00 C ATOM 300 C PHE A 23 29.031 26.925 -3.376 1.00 0.00 C ATOM 301 O PHE A 23 28.599 26.143 -4.224 1.00 0.00 O ATOM 302 CB PHE A 23 30.518 28.928 -3.566 1.00 0.00 C ATOM 303 CG PHE A 23 30.177 29.405 -4.949 1.00 0.00 C ATOM 304 CD1 PHE A 23 31.152 29.477 -5.931 1.00 0.00 C ATOM 305 CD2 PHE A 23 28.882 29.782 -5.266 1.00 0.00 C ATOM 306 CE1 PHE A 23 30.841 29.916 -7.205 1.00 0.00 C ATOM 307 CE2 PHE A 23 28.566 30.221 -6.538 1.00 0.00 C ATOM 308 CZ PHE A 23 29.547 30.289 -7.508 1.00 0.00 C ATOM 0 H PHE A 23 30.631 26.185 -5.116 1.00 0.00 H new ATOM 0 HA PHE A 23 30.964 27.126 -2.483 1.00 0.00 H new ATOM 0 HB2 PHE A 23 29.821 29.372 -2.855 1.00 0.00 H new ATOM 0 HB3 PHE A 23 31.513 29.285 -3.302 1.00 0.00 H new ATOM 0 HD1 PHE A 23 32.166 29.187 -5.699 1.00 0.00 H new ATOM 0 HD2 PHE A 23 28.111 29.732 -4.511 1.00 0.00 H new ATOM 0 HE1 PHE A 23 31.610 29.967 -7.962 1.00 0.00 H new ATOM 0 HE2 PHE A 23 27.553 30.511 -6.773 1.00 0.00 H new ATOM 0 HZ PHE A 23 29.302 30.633 -8.502 1.00 0.00 H new ATOM 318 N THR A 24 28.285 27.397 -2.382 1.00 0.00 N ATOM 319 CA THR A 24 26.888 27.016 -2.228 1.00 0.00 C ATOM 320 C THR A 24 25.969 27.974 -2.977 1.00 0.00 C ATOM 321 O THR A 24 25.981 29.180 -2.732 1.00 0.00 O ATOM 322 CB THR A 24 26.475 26.983 -0.744 1.00 0.00 C ATOM 323 OG1 THR A 24 26.779 28.237 -0.123 1.00 0.00 O ATOM 324 CG2 THR A 24 27.191 25.860 -0.008 1.00 0.00 C ATOM 0 H THR A 24 28.626 28.044 -1.671 1.00 0.00 H new ATOM 0 HA THR A 24 26.786 26.016 -2.649 1.00 0.00 H new ATOM 0 HB THR A 24 25.401 26.803 -0.692 1.00 0.00 H new ATOM 0 HG1 THR A 24 26.701 28.957 -0.784 1.00 0.00 H new ATOM 0 HG21 THR A 24 26.884 25.856 1.038 1.00 0.00 H new ATOM 0 HG22 THR A 24 26.935 24.904 -0.465 1.00 0.00 H new ATOM 0 HG23 THR A 24 28.268 26.014 -0.069 1.00 0.00 H new ATOM 332 N VAL A 25 25.174 27.430 -3.893 1.00 0.00 N ATOM 333 CA VAL A 25 24.247 28.237 -4.677 1.00 0.00 C ATOM 334 C VAL A 25 23.018 27.429 -5.077 1.00 0.00 C ATOM 335 O VAL A 25 23.021 26.201 -5.010 1.00 0.00 O ATOM 336 CB VAL A 25 24.921 28.789 -5.948 1.00 0.00 C ATOM 337 CG1 VAL A 25 25.331 27.653 -6.871 1.00 0.00 C ATOM 338 CG2 VAL A 25 23.994 29.760 -6.663 1.00 0.00 C ATOM 0 H VAL A 25 25.153 26.434 -4.110 1.00 0.00 H new ATOM 0 HA VAL A 25 23.940 29.071 -4.045 1.00 0.00 H new ATOM 0 HB VAL A 25 25.821 29.330 -5.656 1.00 0.00 H new ATOM 0 HG11 VAL A 25 25.805 28.062 -7.763 1.00 0.00 H new ATOM 0 HG12 VAL A 25 26.034 27.000 -6.354 1.00 0.00 H new ATOM 0 HG13 VAL A 25 24.449 27.082 -7.159 1.00 0.00 H new ATOM 0 HG21 VAL A 25 24.486 30.140 -7.558 1.00 0.00 H new ATOM 0 HG22 VAL A 25 23.075 29.246 -6.944 1.00 0.00 H new ATOM 0 HG23 VAL A 25 23.756 30.591 -5.999 1.00 0.00 H new ATOM 348 N ASN A 26 21.967 28.128 -5.494 1.00 0.00 N ATOM 349 CA ASN A 26 20.729 27.476 -5.906 1.00 0.00 C ATOM 350 C ASN A 26 20.953 26.620 -7.149 1.00 0.00 C ATOM 351 O ASN A 26 20.842 27.103 -8.276 1.00 0.00 O ATOM 352 CB ASN A 26 19.645 28.520 -6.180 1.00 0.00 C ATOM 353 CG ASN A 26 19.567 29.573 -5.092 1.00 0.00 C ATOM 354 OD1 ASN A 26 18.933 29.366 -4.057 1.00 0.00 O ATOM 355 ND2 ASN A 26 20.214 30.710 -5.321 1.00 0.00 N ATOM 0 H ASN A 26 21.948 29.146 -5.556 1.00 0.00 H new ATOM 0 HA ASN A 26 20.401 26.827 -5.094 1.00 0.00 H new ATOM 0 HB2 ASN A 26 19.844 29.004 -7.136 1.00 0.00 H new ATOM 0 HB3 ASN A 26 18.680 28.022 -6.270 1.00 0.00 H new ATOM 0 HD21 ASN A 26 20.198 31.455 -4.625 1.00 0.00 H new ATOM 0 HD22 ASN A 26 20.727 30.838 -6.193 1.00 0.00 H new ATOM 362 N ILE A 27 21.267 25.347 -6.935 1.00 0.00 N ATOM 363 CA ILE A 27 21.504 24.423 -8.037 1.00 0.00 C ATOM 364 C ILE A 27 20.952 23.037 -7.721 1.00 0.00 C ATOM 365 O ILE A 27 21.339 22.415 -6.733 1.00 0.00 O ATOM 366 CB ILE A 27 23.005 24.305 -8.359 1.00 0.00 C ATOM 367 CG1 ILE A 27 23.484 25.540 -9.123 1.00 0.00 C ATOM 368 CG2 ILE A 27 23.277 23.041 -9.162 1.00 0.00 C ATOM 369 CD1 ILE A 27 24.880 25.398 -9.689 1.00 0.00 C ATOM 0 H ILE A 27 21.363 24.932 -6.008 1.00 0.00 H new ATOM 0 HA ILE A 27 20.985 24.828 -8.906 1.00 0.00 H new ATOM 0 HB ILE A 27 23.558 24.243 -7.422 1.00 0.00 H new ATOM 0 HG12 ILE A 27 22.790 25.745 -9.938 1.00 0.00 H new ATOM 0 HG13 ILE A 27 23.457 26.402 -8.457 1.00 0.00 H new ATOM 0 HG21 ILE A 27 24.342 22.972 -9.382 1.00 0.00 H new ATOM 0 HG22 ILE A 27 22.968 22.170 -8.585 1.00 0.00 H new ATOM 0 HG23 ILE A 27 22.715 23.075 -10.096 1.00 0.00 H new ATOM 0 HD11 ILE A 27 25.153 26.311 -10.217 1.00 0.00 H new ATOM 0 HD12 ILE A 27 25.586 25.224 -8.877 1.00 0.00 H new ATOM 0 HD13 ILE A 27 24.908 24.556 -10.381 1.00 0.00 H new ATOM 381 N MET A 28 20.047 22.559 -8.569 1.00 0.00 N ATOM 382 CA MET A 28 19.445 21.244 -8.382 1.00 0.00 C ATOM 383 C MET A 28 19.199 20.563 -9.724 1.00 0.00 C ATOM 384 O MET A 28 18.273 20.920 -10.453 1.00 0.00 O ATOM 385 CB MET A 28 18.129 21.368 -7.612 1.00 0.00 C ATOM 386 CG MET A 28 18.298 21.914 -6.203 1.00 0.00 C ATOM 387 SD MET A 28 19.398 20.904 -5.194 1.00 0.00 S ATOM 388 CE MET A 28 18.596 19.307 -5.314 1.00 0.00 C ATOM 0 H MET A 28 19.715 23.062 -9.392 1.00 0.00 H new ATOM 0 HA MET A 28 20.139 20.632 -7.806 1.00 0.00 H new ATOM 0 HB2 MET A 28 17.453 22.019 -8.166 1.00 0.00 H new ATOM 0 HB3 MET A 28 17.655 20.388 -7.559 1.00 0.00 H new ATOM 0 HG2 MET A 28 18.690 22.930 -6.256 1.00 0.00 H new ATOM 0 HG3 MET A 28 17.322 21.974 -5.721 1.00 0.00 H new ATOM 0 HE1 MET A 28 19.027 18.627 -4.579 1.00 0.00 H new ATOM 0 HE2 MET A 28 17.529 19.420 -5.121 1.00 0.00 H new ATOM 0 HE3 MET A 28 18.743 18.901 -6.315 1.00 0.00 H new ATOM 398 N ASP A 29 20.035 19.581 -10.046 1.00 0.00 N ATOM 399 CA ASP A 29 19.908 18.849 -11.300 1.00 0.00 C ATOM 400 C ASP A 29 19.846 17.345 -11.049 1.00 0.00 C ATOM 401 O ASP A 29 20.149 16.875 -9.951 1.00 0.00 O ATOM 402 CB ASP A 29 21.080 19.175 -12.227 1.00 0.00 C ATOM 403 CG ASP A 29 20.785 20.347 -13.142 1.00 0.00 C ATOM 404 OD1 ASP A 29 19.885 20.219 -13.998 1.00 0.00 O ATOM 405 OD2 ASP A 29 21.455 21.392 -13.004 1.00 0.00 O ATOM 0 H ASP A 29 20.808 19.274 -9.455 1.00 0.00 H new ATOM 0 HA ASP A 29 18.979 19.158 -11.779 1.00 0.00 H new ATOM 0 HB2 ASP A 29 21.962 19.399 -11.627 1.00 0.00 H new ATOM 0 HB3 ASP A 29 21.318 18.298 -12.829 1.00 0.00 H new ATOM 410 N THR A 30 19.451 16.595 -12.072 1.00 0.00 N ATOM 411 CA THR A 30 19.347 15.145 -11.962 1.00 0.00 C ATOM 412 C THR A 30 20.548 14.562 -11.226 1.00 0.00 C ATOM 413 O THR A 30 21.691 14.945 -11.480 1.00 0.00 O ATOM 414 CB THR A 30 19.237 14.482 -13.348 1.00 0.00 C ATOM 415 OG1 THR A 30 18.198 15.108 -14.109 1.00 0.00 O ATOM 416 CG2 THR A 30 18.949 12.995 -13.215 1.00 0.00 C ATOM 0 H THR A 30 19.198 16.968 -12.987 1.00 0.00 H new ATOM 0 HA THR A 30 18.440 14.936 -11.395 1.00 0.00 H new ATOM 0 HB THR A 30 20.190 14.607 -13.863 1.00 0.00 H new ATOM 0 HG1 THR A 30 18.135 14.682 -14.989 1.00 0.00 H new ATOM 0 HG21 THR A 30 18.876 12.548 -14.207 1.00 0.00 H new ATOM 0 HG22 THR A 30 19.756 12.516 -12.660 1.00 0.00 H new ATOM 0 HG23 THR A 30 18.009 12.853 -12.683 1.00 0.00 H new ATOM 424 N CYS A 31 20.284 13.634 -10.313 1.00 0.00 N ATOM 425 CA CYS A 31 21.343 12.997 -9.540 1.00 0.00 C ATOM 426 C CYS A 31 22.390 12.376 -10.461 1.00 0.00 C ATOM 427 O CYS A 31 22.155 12.201 -11.655 1.00 0.00 O ATOM 428 CB CYS A 31 20.757 11.924 -8.620 1.00 0.00 C ATOM 429 SG CYS A 31 21.921 11.308 -7.361 1.00 0.00 S ATOM 0 H CYS A 31 19.344 13.306 -10.090 1.00 0.00 H new ATOM 0 HA CYS A 31 21.826 13.762 -8.933 1.00 0.00 H new ATOM 0 HB2 CYS A 31 19.878 12.330 -8.119 1.00 0.00 H new ATOM 0 HB3 CYS A 31 20.418 11.085 -9.228 1.00 0.00 H new ATOM 434 N GLU A 32 23.547 12.046 -9.894 1.00 0.00 N ATOM 435 CA GLU A 32 24.630 11.446 -10.664 1.00 0.00 C ATOM 436 C GLU A 32 24.973 10.058 -10.130 1.00 0.00 C ATOM 437 O GLU A 32 25.297 9.150 -10.895 1.00 0.00 O ATOM 438 CB GLU A 32 25.870 12.341 -10.624 1.00 0.00 C ATOM 439 CG GLU A 32 25.643 13.723 -11.213 1.00 0.00 C ATOM 440 CD GLU A 32 26.900 14.571 -11.214 1.00 0.00 C ATOM 441 OE1 GLU A 32 27.341 14.979 -10.119 1.00 0.00 O ATOM 442 OE2 GLU A 32 27.444 14.825 -12.309 1.00 0.00 O ATOM 0 H GLU A 32 23.758 12.184 -8.906 1.00 0.00 H new ATOM 0 HA GLU A 32 24.296 11.346 -11.697 1.00 0.00 H new ATOM 0 HB2 GLU A 32 26.199 12.446 -9.590 1.00 0.00 H new ATOM 0 HB3 GLU A 32 26.678 11.852 -11.168 1.00 0.00 H new ATOM 0 HG2 GLU A 32 25.276 13.623 -12.235 1.00 0.00 H new ATOM 0 HG3 GLU A 32 24.866 14.233 -10.644 1.00 0.00 H new ATOM 449 N ARG A 33 24.899 9.903 -8.812 1.00 0.00 N ATOM 450 CA ARG A 33 25.203 8.627 -8.175 1.00 0.00 C ATOM 451 C ARG A 33 24.279 7.528 -8.690 1.00 0.00 C ATOM 452 O ARG A 33 24.699 6.386 -8.879 1.00 0.00 O ATOM 453 CB ARG A 33 25.073 8.748 -6.656 1.00 0.00 C ATOM 454 CG ARG A 33 25.958 7.778 -5.890 1.00 0.00 C ATOM 455 CD ARG A 33 25.673 7.825 -4.397 1.00 0.00 C ATOM 456 NE ARG A 33 26.599 6.990 -3.636 1.00 0.00 N ATOM 457 CZ ARG A 33 27.840 7.355 -3.336 1.00 0.00 C ATOM 458 NH1 ARG A 33 28.302 8.534 -3.729 1.00 0.00 N ATOM 459 NH2 ARG A 33 28.623 6.539 -2.640 1.00 0.00 N ATOM 0 H ARG A 33 24.631 10.645 -8.165 1.00 0.00 H new ATOM 0 HA ARG A 33 26.230 8.360 -8.425 1.00 0.00 H new ATOM 0 HB2 ARG A 33 25.322 9.767 -6.358 1.00 0.00 H new ATOM 0 HB3 ARG A 33 24.034 8.579 -6.374 1.00 0.00 H new ATOM 0 HG2 ARG A 33 25.797 6.766 -6.261 1.00 0.00 H new ATOM 0 HG3 ARG A 33 27.006 8.020 -6.069 1.00 0.00 H new ATOM 0 HD2 ARG A 33 25.742 8.855 -4.047 1.00 0.00 H new ATOM 0 HD3 ARG A 33 24.651 7.494 -4.213 1.00 0.00 H new ATOM 0 HE ARG A 33 26.275 6.077 -3.318 1.00 0.00 H new ATOM 0 HH11 ARG A 33 27.704 9.164 -4.263 1.00 0.00 H new ATOM 0 HH12 ARG A 33 29.256 8.811 -3.497 1.00 0.00 H new ATOM 0 HH21 ARG A 33 28.271 5.631 -2.336 1.00 0.00 H new ATOM 0 HH22 ARG A 33 29.576 6.820 -2.410 1.00 0.00 H new ATOM 473 N CYS A 34 23.018 7.881 -8.915 1.00 0.00 N ATOM 474 CA CYS A 34 22.032 6.925 -9.407 1.00 0.00 C ATOM 475 C CYS A 34 21.563 7.301 -10.810 1.00 0.00 C ATOM 476 O CYS A 34 20.862 6.534 -11.468 1.00 0.00 O ATOM 477 CB CYS A 34 20.835 6.861 -8.457 1.00 0.00 C ATOM 478 SG CYS A 34 19.882 8.410 -8.355 1.00 0.00 S ATOM 0 H CYS A 34 22.654 8.822 -8.765 1.00 0.00 H new ATOM 0 HA CYS A 34 22.504 5.944 -9.452 1.00 0.00 H new ATOM 0 HB2 CYS A 34 20.171 6.059 -8.780 1.00 0.00 H new ATOM 0 HB3 CYS A 34 21.190 6.599 -7.460 1.00 0.00 H new ATOM 483 N ASN A 35 21.955 8.489 -11.260 1.00 0.00 N ATOM 484 CA ASN A 35 21.575 8.967 -12.585 1.00 0.00 C ATOM 485 C ASN A 35 20.061 9.122 -12.693 1.00 0.00 C ATOM 486 O ASN A 35 19.451 8.691 -13.670 1.00 0.00 O ATOM 487 CB ASN A 35 22.079 8.005 -13.662 1.00 0.00 C ATOM 488 CG ASN A 35 23.590 8.019 -13.788 1.00 0.00 C ATOM 489 OD1 ASN A 35 24.147 8.717 -14.635 1.00 0.00 O ATOM 490 ND2 ASN A 35 24.261 7.245 -12.943 1.00 0.00 N ATOM 0 H ASN A 35 22.535 9.138 -10.727 1.00 0.00 H new ATOM 0 HA ASN A 35 22.035 9.944 -12.737 1.00 0.00 H new ATOM 0 HB2 ASN A 35 21.746 6.994 -13.427 1.00 0.00 H new ATOM 0 HB3 ASN A 35 21.635 8.272 -14.621 1.00 0.00 H new ATOM 0 HD21 ASN A 35 25.280 7.213 -12.980 1.00 0.00 H new ATOM 0 HD22 ASN A 35 23.758 6.683 -12.257 1.00 0.00 H new ATOM 497 N GLY A 36 19.460 9.741 -11.681 1.00 0.00 N ATOM 498 CA GLY A 36 18.023 9.942 -11.681 1.00 0.00 C ATOM 499 C GLY A 36 17.255 8.635 -11.671 1.00 0.00 C ATOM 500 O GLY A 36 16.191 8.527 -12.280 1.00 0.00 O ATOM 0 H GLY A 36 19.943 10.107 -10.861 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.742 10.532 -10.809 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.740 10.520 -12.561 1.00 0.00 H new ATOM 504 N LYS A 37 17.796 7.638 -10.979 1.00 0.00 N ATOM 505 CA LYS A 37 17.155 6.331 -10.891 1.00 0.00 C ATOM 506 C LYS A 37 16.532 6.122 -9.515 1.00 0.00 C ATOM 507 O LYS A 37 15.347 5.813 -9.400 1.00 0.00 O ATOM 508 CB LYS A 37 18.171 5.223 -11.177 1.00 0.00 C ATOM 509 CG LYS A 37 18.609 5.159 -12.630 1.00 0.00 C ATOM 510 CD LYS A 37 17.574 4.460 -13.495 1.00 0.00 C ATOM 511 CE LYS A 37 17.578 2.957 -13.263 1.00 0.00 C ATOM 512 NZ LYS A 37 16.689 2.245 -14.223 1.00 0.00 N ATOM 0 H LYS A 37 18.677 7.710 -10.471 1.00 0.00 H new ATOM 0 HA LYS A 37 16.362 6.291 -11.638 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.048 5.375 -10.548 1.00 0.00 H new ATOM 0 HB3 LYS A 37 17.739 4.263 -10.894 1.00 0.00 H new ATOM 0 HG2 LYS A 37 18.776 6.169 -13.005 1.00 0.00 H new ATOM 0 HG3 LYS A 37 19.560 4.631 -12.701 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.584 4.861 -13.276 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.776 4.668 -14.546 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.595 2.577 -13.360 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.255 2.746 -12.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.719 1.223 -14.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.714 2.589 -14.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.012 2.425 -15.195 1.00 0.00 H new ATOM 526 N GLY A 38 17.340 6.293 -8.472 1.00 0.00 N ATOM 527 CA GLY A 38 16.849 6.120 -7.117 1.00 0.00 C ATOM 528 C GLY A 38 17.467 4.921 -6.426 1.00 0.00 C ATOM 529 O GLY A 38 16.884 4.364 -5.496 1.00 0.00 O ATOM 0 H GLY A 38 18.325 6.548 -8.542 1.00 0.00 H new ATOM 0 HA2 GLY A 38 17.063 7.019 -6.539 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.765 6.005 -7.138 1.00 0.00 H new ATOM 533 N ASN A 39 18.650 4.521 -6.881 1.00 0.00 N ATOM 534 CA ASN A 39 19.346 3.379 -6.301 1.00 0.00 C ATOM 535 C ASN A 39 20.858 3.551 -6.409 1.00 0.00 C ATOM 536 O ASN A 39 21.353 4.212 -7.322 1.00 0.00 O ATOM 537 CB ASN A 39 18.917 2.086 -6.998 1.00 0.00 C ATOM 538 CG ASN A 39 19.407 0.848 -6.272 1.00 0.00 C ATOM 539 OD1 ASN A 39 19.446 0.811 -5.042 1.00 0.00 O ATOM 540 ND2 ASN A 39 19.784 -0.173 -7.033 1.00 0.00 N ATOM 0 H ASN A 39 19.147 4.971 -7.650 1.00 0.00 H new ATOM 0 HA ASN A 39 19.080 3.321 -5.246 1.00 0.00 H new ATOM 0 HB2 ASN A 39 17.830 2.057 -7.067 1.00 0.00 H new ATOM 0 HB3 ASN A 39 19.301 2.082 -8.018 1.00 0.00 H new ATOM 0 HD21 ASN A 39 20.123 -1.033 -6.601 1.00 0.00 H new ATOM 0 HD22 ASN A 39 19.734 -0.097 -8.049 1.00 0.00 H new ATOM 547 N GLU A 40 21.585 2.951 -5.472 1.00 0.00 N ATOM 548 CA GLU A 40 23.041 3.039 -5.463 1.00 0.00 C ATOM 549 C GLU A 40 23.633 2.386 -6.708 1.00 0.00 C ATOM 550 O GLU A 40 23.166 1.348 -7.177 1.00 0.00 O ATOM 551 CB GLU A 40 23.606 2.373 -4.206 1.00 0.00 C ATOM 552 CG GLU A 40 23.380 3.177 -2.937 1.00 0.00 C ATOM 553 CD GLU A 40 24.209 4.446 -2.894 1.00 0.00 C ATOM 554 OE1 GLU A 40 23.861 5.407 -3.612 1.00 0.00 O ATOM 555 OE2 GLU A 40 25.206 4.477 -2.143 1.00 0.00 O ATOM 0 H GLU A 40 21.191 2.399 -4.710 1.00 0.00 H new ATOM 0 HA GLU A 40 23.316 4.094 -5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 40 23.149 1.390 -4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 40 24.676 2.214 -4.339 1.00 0.00 H new ATOM 0 HG2 GLU A 40 22.324 3.435 -2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 40 23.623 2.560 -2.072 1.00 0.00 H new ATOM 562 N PRO A 41 24.687 3.008 -7.258 1.00 0.00 N ATOM 563 CA PRO A 41 25.366 2.506 -8.456 1.00 0.00 C ATOM 564 C PRO A 41 26.141 1.220 -8.187 1.00 0.00 C ATOM 565 O PRO A 41 26.921 0.767 -9.024 1.00 0.00 O ATOM 566 CB PRO A 41 26.324 3.641 -8.823 1.00 0.00 C ATOM 567 CG PRO A 41 26.573 4.357 -7.540 1.00 0.00 C ATOM 568 CD PRO A 41 25.296 4.249 -6.752 1.00 0.00 C ATOM 0 HA PRO A 41 24.661 2.253 -9.248 1.00 0.00 H new ATOM 0 HB2 PRO A 41 27.251 3.255 -9.247 1.00 0.00 H new ATOM 0 HB3 PRO A 41 25.885 4.305 -9.568 1.00 0.00 H new ATOM 0 HG2 PRO A 41 27.405 3.909 -6.998 1.00 0.00 H new ATOM 0 HG3 PRO A 41 26.834 5.400 -7.719 1.00 0.00 H new ATOM 0 HD2 PRO A 41 25.488 4.194 -5.681 1.00 0.00 H new ATOM 0 HD3 PRO A 41 24.648 5.110 -6.916 1.00 0.00 H new ATOM 576 N GLY A 42 25.921 0.636 -7.013 1.00 0.00 N ATOM 577 CA GLY A 42 26.607 -0.592 -6.655 1.00 0.00 C ATOM 578 C GLY A 42 25.748 -1.509 -5.807 1.00 0.00 C ATOM 579 O GLY A 42 26.264 -2.333 -5.051 1.00 0.00 O ATOM 0 H GLY A 42 25.280 0.991 -6.304 1.00 0.00 H new ATOM 0 HA2 GLY A 42 26.906 -1.116 -7.563 1.00 0.00 H new ATOM 0 HA3 GLY A 42 27.520 -0.349 -6.112 1.00 0.00 H new ATOM 583 N THR A 43 24.432 -1.367 -5.931 1.00 0.00 N ATOM 584 CA THR A 43 23.499 -2.187 -5.168 1.00 0.00 C ATOM 585 C THR A 43 22.683 -3.089 -6.086 1.00 0.00 C ATOM 586 O THR A 43 22.692 -2.923 -7.306 1.00 0.00 O ATOM 587 CB THR A 43 22.539 -1.318 -4.334 1.00 0.00 C ATOM 588 OG1 THR A 43 22.038 -0.239 -5.131 1.00 0.00 O ATOM 589 CG2 THR A 43 23.241 -0.763 -3.104 1.00 0.00 C ATOM 0 H THR A 43 23.988 -0.691 -6.553 1.00 0.00 H new ATOM 0 HA THR A 43 24.096 -2.803 -4.495 1.00 0.00 H new ATOM 0 HB THR A 43 21.709 -1.944 -4.007 1.00 0.00 H new ATOM 0 HG1 THR A 43 21.158 0.034 -4.796 1.00 0.00 H new ATOM 0 HG21 THR A 43 22.543 -0.153 -2.531 1.00 0.00 H new ATOM 0 HG22 THR A 43 23.596 -1.587 -2.485 1.00 0.00 H new ATOM 0 HG23 THR A 43 24.088 -0.151 -3.414 1.00 0.00 H new ATOM 597 N LYS A 44 21.975 -4.044 -5.493 1.00 0.00 N ATOM 598 CA LYS A 44 21.150 -4.973 -6.257 1.00 0.00 C ATOM 599 C LYS A 44 19.734 -4.431 -6.425 1.00 0.00 C ATOM 600 O LYS A 44 19.357 -3.444 -5.792 1.00 0.00 O ATOM 601 CB LYS A 44 21.106 -6.337 -5.564 1.00 0.00 C ATOM 602 CG LYS A 44 22.432 -7.078 -5.596 1.00 0.00 C ATOM 603 CD LYS A 44 23.397 -6.540 -4.553 1.00 0.00 C ATOM 604 CE LYS A 44 24.430 -7.584 -4.158 1.00 0.00 C ATOM 605 NZ LYS A 44 25.501 -7.721 -5.183 1.00 0.00 N ATOM 0 H LYS A 44 21.956 -4.195 -4.484 1.00 0.00 H new ATOM 0 HA LYS A 44 21.596 -5.088 -7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 44 20.802 -6.199 -4.527 1.00 0.00 H new ATOM 0 HB3 LYS A 44 20.343 -6.953 -6.041 1.00 0.00 H new ATOM 0 HG2 LYS A 44 22.261 -8.140 -5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 44 22.877 -6.986 -6.587 1.00 0.00 H new ATOM 0 HD2 LYS A 44 23.902 -5.657 -4.944 1.00 0.00 H new ATOM 0 HD3 LYS A 44 22.841 -6.224 -3.670 1.00 0.00 H new ATOM 0 HE2 LYS A 44 24.876 -7.310 -3.202 1.00 0.00 H new ATOM 0 HE3 LYS A 44 23.938 -8.546 -4.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 26.185 -8.442 -4.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 25.079 -8.007 -6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 25.988 -6.810 -5.300 1.00 0.00 H new ATOM 619 N VAL A 45 18.953 -5.083 -7.281 1.00 0.00 N ATOM 620 CA VAL A 45 17.578 -4.668 -7.530 1.00 0.00 C ATOM 621 C VAL A 45 16.679 -5.872 -7.787 1.00 0.00 C ATOM 622 O VAL A 45 17.121 -6.883 -8.331 1.00 0.00 O ATOM 623 CB VAL A 45 17.490 -3.709 -8.732 1.00 0.00 C ATOM 624 CG1 VAL A 45 16.041 -3.353 -9.027 1.00 0.00 C ATOM 625 CG2 VAL A 45 18.314 -2.456 -8.474 1.00 0.00 C ATOM 0 H VAL A 45 19.250 -5.901 -7.814 1.00 0.00 H new ATOM 0 HA VAL A 45 17.237 -4.148 -6.635 1.00 0.00 H new ATOM 0 HB VAL A 45 17.900 -4.213 -9.607 1.00 0.00 H new ATOM 0 HG11 VAL A 45 15.999 -2.675 -9.879 1.00 0.00 H new ATOM 0 HG12 VAL A 45 15.483 -4.261 -9.258 1.00 0.00 H new ATOM 0 HG13 VAL A 45 15.601 -2.868 -8.156 1.00 0.00 H new ATOM 0 HG21 VAL A 45 18.241 -1.789 -9.333 1.00 0.00 H new ATOM 0 HG22 VAL A 45 17.936 -1.948 -7.587 1.00 0.00 H new ATOM 0 HG23 VAL A 45 19.357 -2.732 -8.317 1.00 0.00 H new ATOM 635 N GLN A 46 15.415 -5.754 -7.394 1.00 0.00 N ATOM 636 CA GLN A 46 14.453 -6.834 -7.583 1.00 0.00 C ATOM 637 C GLN A 46 13.424 -6.466 -8.646 1.00 0.00 C ATOM 638 O GLN A 46 12.844 -5.380 -8.615 1.00 0.00 O ATOM 639 CB GLN A 46 13.748 -7.153 -6.263 1.00 0.00 C ATOM 640 CG GLN A 46 14.681 -7.693 -5.191 1.00 0.00 C ATOM 641 CD GLN A 46 14.019 -7.775 -3.829 1.00 0.00 C ATOM 642 OE1 GLN A 46 14.303 -6.973 -2.939 1.00 0.00 O ATOM 643 NE2 GLN A 46 13.129 -8.747 -3.660 1.00 0.00 N ATOM 0 H GLN A 46 15.033 -4.923 -6.943 1.00 0.00 H new ATOM 0 HA GLN A 46 14.997 -7.717 -7.920 1.00 0.00 H new ATOM 0 HB2 GLN A 46 13.265 -6.250 -5.891 1.00 0.00 H new ATOM 0 HB3 GLN A 46 12.960 -7.883 -6.449 1.00 0.00 H new ATOM 0 HG2 GLN A 46 15.028 -8.684 -5.482 1.00 0.00 H new ATOM 0 HG3 GLN A 46 15.561 -7.054 -5.125 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.924 -9.390 -4.425 1.00 0.00 H new ATOM 0 HE22 GLN A 46 12.651 -8.851 -2.765 1.00 0.00 H new ATOM 652 N HIS A 47 13.201 -7.378 -9.588 1.00 0.00 N ATOM 653 CA HIS A 47 12.241 -7.150 -10.662 1.00 0.00 C ATOM 654 C HIS A 47 10.817 -7.111 -10.118 1.00 0.00 C ATOM 655 O HIS A 47 10.333 -8.087 -9.545 1.00 0.00 O ATOM 656 CB HIS A 47 12.364 -8.242 -11.725 1.00 0.00 C ATOM 657 CG HIS A 47 11.374 -8.106 -12.840 1.00 0.00 C ATOM 658 ND1 HIS A 47 11.585 -7.303 -13.941 1.00 0.00 N ATOM 659 CD2 HIS A 47 10.161 -8.678 -13.021 1.00 0.00 C ATOM 660 CE1 HIS A 47 10.544 -7.386 -14.750 1.00 0.00 C ATOM 661 NE2 HIS A 47 9.666 -8.215 -14.215 1.00 0.00 N ATOM 0 H HIS A 47 13.672 -8.282 -9.629 1.00 0.00 H new ATOM 0 HA HIS A 47 12.464 -6.185 -11.117 1.00 0.00 H new ATOM 0 HB2 HIS A 47 13.372 -8.222 -12.140 1.00 0.00 H new ATOM 0 HB3 HIS A 47 12.234 -9.215 -11.251 1.00 0.00 H new ATOM 0 HD2 HIS A 47 9.673 -9.370 -12.351 1.00 0.00 H new ATOM 0 HE1 HIS A 47 10.430 -6.865 -15.689 1.00 0.00 H new ATOM 0 HE2 HIS A 47 8.766 -8.470 -14.623 1.00 0.00 H new ATOM 669 N CYS A 48 10.150 -5.976 -10.300 1.00 0.00 N ATOM 670 CA CYS A 48 8.781 -5.808 -9.827 1.00 0.00 C ATOM 671 C CYS A 48 7.793 -6.499 -10.763 1.00 0.00 C ATOM 672 O CYS A 48 7.815 -6.283 -11.975 1.00 0.00 O ATOM 673 CB CYS A 48 8.437 -4.322 -9.712 1.00 0.00 C ATOM 674 SG CYS A 48 6.841 -3.988 -8.901 1.00 0.00 S ATOM 0 H CYS A 48 10.536 -5.158 -10.772 1.00 0.00 H new ATOM 0 HA CYS A 48 8.705 -6.269 -8.842 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.228 -3.819 -9.155 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.423 -3.885 -10.710 1.00 0.00 H new ATOM 679 N HIS A 49 6.928 -7.331 -10.191 1.00 0.00 N ATOM 680 CA HIS A 49 5.932 -8.054 -10.974 1.00 0.00 C ATOM 681 C HIS A 49 4.695 -7.191 -11.208 1.00 0.00 C ATOM 682 O HIS A 49 4.126 -7.187 -12.300 1.00 0.00 O ATOM 683 CB HIS A 49 5.538 -9.350 -10.265 1.00 0.00 C ATOM 684 CG HIS A 49 4.651 -10.235 -11.086 1.00 0.00 C ATOM 685 ND1 HIS A 49 4.863 -10.479 -12.426 1.00 0.00 N ATOM 686 CD2 HIS A 49 3.544 -10.937 -10.748 1.00 0.00 C ATOM 687 CE1 HIS A 49 3.925 -11.292 -12.877 1.00 0.00 C ATOM 688 NE2 HIS A 49 3.112 -11.585 -11.878 1.00 0.00 N ATOM 0 H HIS A 49 6.897 -7.521 -9.189 1.00 0.00 H new ATOM 0 HA HIS A 49 6.372 -8.298 -11.941 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.442 -9.899 -10.001 1.00 0.00 H new ATOM 0 HB3 HIS A 49 5.030 -9.105 -9.332 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.086 -10.979 -9.771 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.838 -11.655 -13.890 1.00 0.00 H new ATOM 0 HE2 HIS A 49 2.296 -12.194 -11.937 1.00 0.00 H new ATOM 696 N TYR A 50 4.284 -6.464 -10.175 1.00 0.00 N ATOM 697 CA TYR A 50 3.113 -5.600 -10.267 1.00 0.00 C ATOM 698 C TYR A 50 2.991 -4.993 -11.662 1.00 0.00 C ATOM 699 O TYR A 50 2.000 -5.206 -12.360 1.00 0.00 O ATOM 700 CB TYR A 50 3.190 -4.488 -9.220 1.00 0.00 C ATOM 701 CG TYR A 50 2.528 -4.844 -7.908 1.00 0.00 C ATOM 702 CD1 TYR A 50 2.819 -6.040 -7.263 1.00 0.00 C ATOM 703 CD2 TYR A 50 1.610 -3.986 -7.315 1.00 0.00 C ATOM 704 CE1 TYR A 50 2.216 -6.370 -6.064 1.00 0.00 C ATOM 705 CE2 TYR A 50 1.003 -4.308 -6.116 1.00 0.00 C ATOM 706 CZ TYR A 50 1.309 -5.501 -5.495 1.00 0.00 C ATOM 707 OH TYR A 50 0.706 -5.825 -4.302 1.00 0.00 O ATOM 0 H TYR A 50 4.744 -6.456 -9.265 1.00 0.00 H new ATOM 0 HA TYR A 50 2.229 -6.208 -10.077 1.00 0.00 H new ATOM 0 HB2 TYR A 50 4.237 -4.246 -9.035 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.722 -3.589 -9.622 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.528 -6.723 -7.706 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.367 -3.052 -7.799 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.454 -7.303 -5.575 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.293 -3.629 -5.668 1.00 0.00 H new ATOM 0 HH TYR A 50 0.095 -5.105 -4.038 1.00 0.00 H new ATOM 717 N CYS A 51 4.008 -4.237 -12.061 1.00 0.00 N ATOM 718 CA CYS A 51 4.018 -3.598 -13.372 1.00 0.00 C ATOM 719 C CYS A 51 4.828 -4.419 -14.371 1.00 0.00 C ATOM 720 O CYS A 51 4.466 -4.526 -15.541 1.00 0.00 O ATOM 721 CB CYS A 51 4.595 -2.185 -13.269 1.00 0.00 C ATOM 722 SG CYS A 51 6.168 -2.088 -12.356 1.00 0.00 S ATOM 0 H CYS A 51 4.836 -4.052 -11.495 1.00 0.00 H new ATOM 0 HA CYS A 51 2.989 -3.538 -13.728 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.746 -1.792 -14.274 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.864 -1.540 -12.781 1.00 0.00 H new ATOM 727 N GLY A 52 5.929 -4.997 -13.898 1.00 0.00 N ATOM 728 CA GLY A 52 6.773 -5.801 -14.762 1.00 0.00 C ATOM 729 C GLY A 52 7.842 -4.979 -15.455 1.00 0.00 C ATOM 730 O GLY A 52 8.459 -5.435 -16.418 1.00 0.00 O ATOM 0 H GLY A 52 6.251 -4.923 -12.933 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.247 -6.586 -14.173 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.155 -6.294 -15.512 1.00 0.00 H new ATOM 734 N GLY A 53 8.062 -3.763 -14.966 1.00 0.00 N ATOM 735 CA GLY A 53 9.063 -2.895 -15.558 1.00 0.00 C ATOM 736 C GLY A 53 8.449 -1.746 -16.333 1.00 0.00 C ATOM 737 O GLY A 53 9.136 -1.062 -17.091 1.00 0.00 O ATOM 0 H GLY A 53 7.565 -3.363 -14.170 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.705 -2.497 -14.772 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.699 -3.479 -16.223 1.00 0.00 H new ATOM 741 N SER A 54 7.150 -1.535 -16.145 1.00 0.00 N ATOM 742 CA SER A 54 6.441 -0.465 -16.838 1.00 0.00 C ATOM 743 C SER A 54 6.155 0.697 -15.892 1.00 0.00 C ATOM 744 O SER A 54 5.992 1.838 -16.323 1.00 0.00 O ATOM 745 CB SER A 54 5.132 -0.991 -17.429 1.00 0.00 C ATOM 746 OG SER A 54 4.272 0.076 -17.793 1.00 0.00 O ATOM 0 H SER A 54 6.567 -2.091 -15.519 1.00 0.00 H new ATOM 0 HA SER A 54 7.077 -0.105 -17.647 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.345 -1.605 -18.304 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.633 -1.633 -16.703 1.00 0.00 H new ATOM 0 HG SER A 54 3.443 -0.286 -18.170 1.00 0.00 H new ATOM 752 N GLY A 55 6.094 0.398 -14.598 1.00 0.00 N ATOM 753 CA GLY A 55 5.827 1.427 -13.610 1.00 0.00 C ATOM 754 C GLY A 55 4.354 1.776 -13.520 1.00 0.00 C ATOM 755 O GLY A 55 3.997 2.903 -13.179 1.00 0.00 O ATOM 0 H GLY A 55 6.225 -0.539 -14.216 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.178 1.090 -12.635 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.395 2.323 -13.860 1.00 0.00 H new ATOM 759 N MET A 56 3.498 0.807 -13.828 1.00 0.00 N ATOM 760 CA MET A 56 2.056 1.019 -13.781 1.00 0.00 C ATOM 761 C MET A 56 1.347 -0.201 -13.201 1.00 0.00 C ATOM 762 O MET A 56 1.692 -1.339 -13.518 1.00 0.00 O ATOM 763 CB MET A 56 1.517 1.320 -15.180 1.00 0.00 C ATOM 764 CG MET A 56 0.008 1.497 -15.225 1.00 0.00 C ATOM 765 SD MET A 56 -0.604 2.575 -13.916 1.00 0.00 S ATOM 766 CE MET A 56 -0.790 4.118 -14.807 1.00 0.00 C ATOM 0 H MET A 56 3.778 -0.132 -14.113 1.00 0.00 H new ATOM 0 HA MET A 56 1.860 1.874 -13.133 1.00 0.00 H new ATOM 0 HB2 MET A 56 1.992 2.226 -15.556 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.800 0.509 -15.852 1.00 0.00 H new ATOM 0 HG2 MET A 56 -0.277 1.909 -16.193 1.00 0.00 H new ATOM 0 HG3 MET A 56 -0.471 0.522 -15.141 1.00 0.00 H new ATOM 0 HE1 MET A 56 -1.162 4.887 -14.130 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.176 4.425 -15.208 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.497 3.982 -15.626 1.00 0.00 H new ATOM 776 N GLU A 57 0.355 0.046 -12.351 1.00 0.00 N ATOM 777 CA GLU A 57 -0.401 -1.034 -11.727 1.00 0.00 C ATOM 778 C GLU A 57 -1.790 -1.155 -12.348 1.00 0.00 C ATOM 779 O GLU A 57 -2.388 -0.161 -12.760 1.00 0.00 O ATOM 780 CB GLU A 57 -0.524 -0.796 -10.220 1.00 0.00 C ATOM 781 CG GLU A 57 -1.691 -1.529 -9.581 1.00 0.00 C ATOM 782 CD GLU A 57 -1.497 -3.033 -9.566 1.00 0.00 C ATOM 783 OE1 GLU A 57 -0.930 -3.567 -10.543 1.00 0.00 O ATOM 784 OE2 GLU A 57 -1.913 -3.676 -8.580 1.00 0.00 O ATOM 0 H GLU A 57 0.057 0.983 -12.079 1.00 0.00 H new ATOM 0 HA GLU A 57 0.138 -1.966 -11.898 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.400 -1.109 -9.735 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.634 0.273 -10.037 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.823 -1.173 -8.559 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.606 -1.290 -10.123 1.00 0.00 H new ATOM 791 N THR A 58 -2.297 -2.383 -12.414 1.00 0.00 N ATOM 792 CA THR A 58 -3.613 -2.636 -12.986 1.00 0.00 C ATOM 793 C THR A 58 -4.603 -3.078 -11.914 1.00 0.00 C ATOM 794 O THR A 58 -4.341 -4.020 -11.165 1.00 0.00 O ATOM 795 CB THR A 58 -3.550 -3.712 -14.086 1.00 0.00 C ATOM 796 OG1 THR A 58 -2.497 -3.410 -15.008 1.00 0.00 O ATOM 797 CG2 THR A 58 -4.873 -3.803 -14.832 1.00 0.00 C ATOM 0 H THR A 58 -1.816 -3.217 -12.078 1.00 0.00 H new ATOM 0 HA THR A 58 -3.952 -1.698 -13.425 1.00 0.00 H new ATOM 0 HB THR A 58 -3.352 -4.673 -13.611 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.463 -4.100 -15.703 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.804 -4.570 -15.604 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.668 -4.063 -14.133 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.097 -2.842 -15.295 1.00 0.00 H new ATOM 805 N ILE A 59 -5.740 -2.394 -11.847 1.00 0.00 N ATOM 806 CA ILE A 59 -6.769 -2.719 -10.868 1.00 0.00 C ATOM 807 C ILE A 59 -7.947 -3.431 -11.524 1.00 0.00 C ATOM 808 O ILE A 59 -8.772 -2.805 -12.188 1.00 0.00 O ATOM 809 CB ILE A 59 -7.282 -1.456 -10.150 1.00 0.00 C ATOM 810 CG1 ILE A 59 -6.117 -0.696 -9.514 1.00 0.00 C ATOM 811 CG2 ILE A 59 -8.316 -1.828 -9.098 1.00 0.00 C ATOM 812 CD1 ILE A 59 -5.379 0.201 -10.484 1.00 0.00 C ATOM 0 H ILE A 59 -5.972 -1.612 -12.459 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.309 -3.382 -10.135 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.757 -0.806 -10.885 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.495 -0.092 -8.689 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.415 -1.413 -9.089 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.669 -0.925 -8.599 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.157 -2.331 -9.576 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.864 -2.495 -8.364 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.566 0.708 -9.964 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.971 -0.400 -11.297 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.068 0.942 -10.891 1.00 0.00 H new ATOM 824 N ASN A 60 -8.020 -4.744 -11.331 1.00 0.00 N ATOM 825 CA ASN A 60 -9.098 -5.542 -11.902 1.00 0.00 C ATOM 826 C ASN A 60 -10.367 -5.425 -11.063 1.00 0.00 C ATOM 827 O ASN A 60 -10.495 -6.064 -10.018 1.00 0.00 O ATOM 828 CB ASN A 60 -8.676 -7.009 -12.006 1.00 0.00 C ATOM 829 CG ASN A 60 -7.370 -7.183 -12.757 1.00 0.00 C ATOM 830 OD1 ASN A 60 -6.360 -7.589 -12.182 1.00 0.00 O ATOM 831 ND2 ASN A 60 -7.385 -6.877 -14.049 1.00 0.00 N ATOM 0 H ASN A 60 -7.345 -5.278 -10.783 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.308 -5.159 -12.901 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.574 -7.427 -11.004 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.460 -7.575 -12.510 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.536 -6.975 -14.606 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.245 -6.544 -14.484 1.00 0.00 H new ATOM 838 N THR A 61 -11.303 -4.603 -11.527 1.00 0.00 N ATOM 839 CA THR A 61 -12.561 -4.401 -10.819 1.00 0.00 C ATOM 840 C THR A 61 -13.750 -4.528 -11.764 1.00 0.00 C ATOM 841 O THR A 61 -13.944 -3.695 -12.649 1.00 0.00 O ATOM 842 CB THR A 61 -12.607 -3.020 -10.138 1.00 0.00 C ATOM 843 OG1 THR A 61 -13.765 -2.924 -9.302 1.00 0.00 O ATOM 844 CG2 THR A 61 -12.630 -1.906 -11.174 1.00 0.00 C ATOM 0 H THR A 61 -11.214 -4.066 -12.390 1.00 0.00 H new ATOM 0 HA THR A 61 -12.622 -5.177 -10.056 1.00 0.00 H new ATOM 0 HB THR A 61 -11.710 -2.910 -9.529 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.786 -2.044 -8.872 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.662 -0.940 -10.669 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.733 -1.963 -11.790 1.00 0.00 H new ATOM 0 HG23 THR A 61 -13.511 -2.015 -11.806 1.00 0.00 H new ATOM 852 N GLY A 62 -14.545 -5.576 -11.571 1.00 0.00 N ATOM 853 CA GLY A 62 -15.706 -5.793 -12.414 1.00 0.00 C ATOM 854 C GLY A 62 -15.335 -6.012 -13.867 1.00 0.00 C ATOM 855 O GLY A 62 -14.226 -6.441 -14.189 1.00 0.00 O ATOM 0 H GLY A 62 -14.405 -6.279 -10.845 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -16.259 -6.658 -12.049 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.372 -4.934 -12.338 1.00 0.00 H new ATOM 859 N PRO A 63 -16.277 -5.716 -14.774 1.00 0.00 N ATOM 860 CA PRO A 63 -16.067 -5.876 -16.216 1.00 0.00 C ATOM 861 C PRO A 63 -15.072 -4.863 -16.773 1.00 0.00 C ATOM 862 O PRO A 63 -14.695 -4.928 -17.943 1.00 0.00 O ATOM 863 CB PRO A 63 -17.459 -5.640 -16.806 1.00 0.00 C ATOM 864 CG PRO A 63 -18.154 -4.783 -15.805 1.00 0.00 C ATOM 865 CD PRO A 63 -17.621 -5.200 -14.462 1.00 0.00 C ATOM 0 HA PRO A 63 -15.646 -6.851 -16.461 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.399 -5.147 -17.776 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -17.989 -6.580 -16.958 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -17.958 -3.727 -15.992 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -19.234 -4.921 -15.856 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.578 -4.360 -13.768 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -18.247 -5.963 -14.000 1.00 0.00 H new ATOM 873 N PHE A 64 -14.651 -3.928 -15.928 1.00 0.00 N ATOM 874 CA PHE A 64 -13.701 -2.900 -16.337 1.00 0.00 C ATOM 875 C PHE A 64 -12.423 -2.981 -15.507 1.00 0.00 C ATOM 876 O PHE A 64 -12.341 -3.744 -14.544 1.00 0.00 O ATOM 877 CB PHE A 64 -14.327 -1.511 -16.196 1.00 0.00 C ATOM 878 CG PHE A 64 -15.308 -1.408 -15.063 1.00 0.00 C ATOM 879 CD1 PHE A 64 -16.650 -1.690 -15.264 1.00 0.00 C ATOM 880 CD2 PHE A 64 -14.889 -1.029 -13.798 1.00 0.00 C ATOM 881 CE1 PHE A 64 -17.556 -1.596 -14.224 1.00 0.00 C ATOM 882 CE2 PHE A 64 -15.790 -0.935 -12.755 1.00 0.00 C ATOM 883 CZ PHE A 64 -17.125 -1.217 -12.968 1.00 0.00 C ATOM 0 H PHE A 64 -14.953 -3.861 -14.956 1.00 0.00 H new ATOM 0 HA PHE A 64 -13.446 -3.071 -17.383 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -13.535 -0.777 -16.048 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -14.831 -1.252 -17.127 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -16.992 -1.987 -16.245 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -13.847 -0.805 -13.625 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -18.599 -1.819 -14.394 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -15.450 -0.641 -11.773 1.00 0.00 H new ATOM 0 HZ PHE A 64 -17.831 -1.141 -12.154 1.00 0.00 H new ATOM 893 N VAL A 65 -11.426 -2.188 -15.888 1.00 0.00 N ATOM 894 CA VAL A 65 -10.151 -2.168 -15.180 1.00 0.00 C ATOM 895 C VAL A 65 -9.584 -0.755 -15.110 1.00 0.00 C ATOM 896 O VAL A 65 -9.645 -0.002 -16.082 1.00 0.00 O ATOM 897 CB VAL A 65 -9.120 -3.092 -15.856 1.00 0.00 C ATOM 898 CG1 VAL A 65 -7.762 -2.956 -15.184 1.00 0.00 C ATOM 899 CG2 VAL A 65 -9.597 -4.536 -15.825 1.00 0.00 C ATOM 0 H VAL A 65 -11.477 -1.551 -16.683 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.343 -2.529 -14.170 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.016 -2.791 -16.898 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.046 -3.616 -15.674 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.419 -1.925 -15.263 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.847 -3.230 -14.133 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.856 -5.174 -16.307 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.731 -4.853 -14.791 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.546 -4.617 -16.355 1.00 0.00 H new ATOM 909 N MET A 66 -9.031 -0.402 -13.955 1.00 0.00 N ATOM 910 CA MET A 66 -8.450 0.921 -13.758 1.00 0.00 C ATOM 911 C MET A 66 -6.939 0.887 -13.965 1.00 0.00 C ATOM 912 O MET A 66 -6.347 -0.182 -14.119 1.00 0.00 O ATOM 913 CB MET A 66 -8.773 1.441 -12.356 1.00 0.00 C ATOM 914 CG MET A 66 -10.177 1.095 -11.889 1.00 0.00 C ATOM 915 SD MET A 66 -11.391 2.346 -12.350 1.00 0.00 S ATOM 916 CE MET A 66 -12.607 1.342 -13.199 1.00 0.00 C ATOM 0 H MET A 66 -8.973 -1.014 -13.141 1.00 0.00 H new ATOM 0 HA MET A 66 -8.885 1.595 -14.496 1.00 0.00 H new ATOM 0 HB2 MET A 66 -8.052 1.029 -11.650 1.00 0.00 H new ATOM 0 HB3 MET A 66 -8.651 2.524 -12.342 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.471 0.135 -12.314 1.00 0.00 H new ATOM 0 HG3 MET A 66 -10.176 0.977 -10.805 1.00 0.00 H new ATOM 0 HE1 MET A 66 -13.266 1.985 -13.783 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.101 0.642 -13.863 1.00 0.00 H new ATOM 0 HE3 MET A 66 -13.196 0.788 -12.468 1.00 0.00 H new ATOM 926 N ARG A 67 -6.320 2.063 -13.968 1.00 0.00 N ATOM 927 CA ARG A 67 -4.878 2.167 -14.157 1.00 0.00 C ATOM 928 C ARG A 67 -4.288 3.247 -13.255 1.00 0.00 C ATOM 929 O ARG A 67 -4.574 4.433 -13.420 1.00 0.00 O ATOM 930 CB ARG A 67 -4.555 2.478 -15.620 1.00 0.00 C ATOM 931 CG ARG A 67 -4.831 1.318 -16.564 1.00 0.00 C ATOM 932 CD ARG A 67 -3.611 0.423 -16.718 1.00 0.00 C ATOM 933 NE ARG A 67 -3.731 -0.472 -17.865 1.00 0.00 N ATOM 934 CZ ARG A 67 -2.689 -1.002 -18.495 1.00 0.00 C ATOM 935 NH1 ARG A 67 -1.456 -0.729 -18.091 1.00 0.00 N ATOM 936 NH2 ARG A 67 -2.878 -1.809 -19.532 1.00 0.00 N ATOM 0 H ARG A 67 -6.794 2.957 -13.842 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.432 1.209 -13.889 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.141 3.341 -15.937 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.505 2.759 -15.700 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.669 0.732 -16.186 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.126 1.704 -17.540 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.720 1.041 -16.832 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.477 -0.166 -15.811 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.666 -0.703 -18.201 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.306 -0.110 -17.294 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.658 -1.138 -18.577 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.825 -2.023 -19.846 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.077 -2.215 -20.015 1.00 0.00 H new ATOM 950 N SER A 68 -3.463 2.828 -12.300 1.00 0.00 N ATOM 951 CA SER A 68 -2.837 3.759 -11.369 1.00 0.00 C ATOM 952 C SER A 68 -1.371 3.398 -11.145 1.00 0.00 C ATOM 953 O SER A 68 -1.002 2.223 -11.135 1.00 0.00 O ATOM 954 CB SER A 68 -3.584 3.758 -10.034 1.00 0.00 C ATOM 955 OG SER A 68 -3.482 5.017 -9.392 1.00 0.00 O ATOM 0 H SER A 68 -3.213 1.850 -12.151 1.00 0.00 H new ATOM 0 HA SER A 68 -2.886 4.758 -11.803 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.633 3.515 -10.201 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.177 2.982 -9.386 1.00 0.00 H new ATOM 0 HG SER A 68 -3.969 4.991 -8.542 1.00 0.00 H new ATOM 961 N THR A 69 -0.538 4.419 -10.964 1.00 0.00 N ATOM 962 CA THR A 69 0.887 4.211 -10.741 1.00 0.00 C ATOM 963 C THR A 69 1.130 3.067 -9.763 1.00 0.00 C ATOM 964 O THR A 69 0.445 2.949 -8.747 1.00 0.00 O ATOM 965 CB THR A 69 1.562 5.486 -10.200 1.00 0.00 C ATOM 966 OG1 THR A 69 1.355 6.573 -11.108 1.00 0.00 O ATOM 967 CG2 THR A 69 3.054 5.264 -9.998 1.00 0.00 C ATOM 0 H THR A 69 -0.826 5.397 -10.968 1.00 0.00 H new ATOM 0 HA THR A 69 1.325 3.958 -11.707 1.00 0.00 H new ATOM 0 HB THR A 69 1.113 5.728 -9.237 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.786 7.380 -10.756 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.509 6.178 -9.616 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.208 4.455 -9.284 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.515 5.000 -10.950 1.00 0.00 H new ATOM 975 N CYS A 70 2.109 2.225 -10.077 1.00 0.00 N ATOM 976 CA CYS A 70 2.443 1.089 -9.226 1.00 0.00 C ATOM 977 C CYS A 70 2.600 1.526 -7.773 1.00 0.00 C ATOM 978 O CYS A 70 2.806 2.706 -7.487 1.00 0.00 O ATOM 979 CB CYS A 70 3.732 0.423 -9.712 1.00 0.00 C ATOM 980 SG CYS A 70 3.953 -1.286 -9.123 1.00 0.00 S ATOM 0 H CYS A 70 2.685 2.308 -10.915 1.00 0.00 H new ATOM 0 HA CYS A 70 1.626 0.370 -9.285 1.00 0.00 H new ATOM 0 HB2 CYS A 70 3.740 0.424 -10.802 1.00 0.00 H new ATOM 0 HB3 CYS A 70 4.583 1.021 -9.386 1.00 0.00 H new ATOM 985 N ARG A 71 2.502 0.566 -6.858 1.00 0.00 N ATOM 986 CA ARG A 71 2.632 0.851 -5.434 1.00 0.00 C ATOM 987 C ARG A 71 3.847 0.139 -4.846 1.00 0.00 C ATOM 988 O ARG A 71 4.486 0.641 -3.922 1.00 0.00 O ATOM 989 CB ARG A 71 1.366 0.424 -4.689 1.00 0.00 C ATOM 990 CG ARG A 71 0.096 1.053 -5.237 1.00 0.00 C ATOM 991 CD ARG A 71 -1.131 0.591 -4.467 1.00 0.00 C ATOM 992 NE ARG A 71 -1.226 1.226 -3.155 1.00 0.00 N ATOM 993 CZ ARG A 71 -1.900 0.708 -2.135 1.00 0.00 C ATOM 994 NH1 ARG A 71 -2.535 -0.447 -2.274 1.00 0.00 N ATOM 995 NH2 ARG A 71 -1.939 1.346 -0.972 1.00 0.00 N ATOM 0 H ARG A 71 2.333 -0.416 -7.078 1.00 0.00 H new ATOM 0 HA ARG A 71 2.770 1.926 -5.315 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.274 -0.661 -4.738 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.467 0.688 -3.636 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.174 2.139 -5.183 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.015 0.794 -6.290 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.027 0.817 -5.045 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.095 -0.491 -4.344 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.748 2.116 -3.015 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.507 -0.940 -3.166 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.052 -0.843 -1.489 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.451 2.235 -0.861 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.457 0.948 -0.189 1.00 0.00 H new ATOM 1009 N ARG A 72 4.158 -1.034 -5.388 1.00 0.00 N ATOM 1010 CA ARG A 72 5.294 -1.816 -4.916 1.00 0.00 C ATOM 1011 C ARG A 72 6.611 -1.138 -5.282 1.00 0.00 C ATOM 1012 O ARG A 72 7.500 -0.989 -4.443 1.00 0.00 O ATOM 1013 CB ARG A 72 5.252 -3.226 -5.509 1.00 0.00 C ATOM 1014 CG ARG A 72 4.272 -4.152 -4.808 1.00 0.00 C ATOM 1015 CD ARG A 72 4.758 -4.526 -3.416 1.00 0.00 C ATOM 1016 NE ARG A 72 5.837 -5.509 -3.459 1.00 0.00 N ATOM 1017 CZ ARG A 72 6.726 -5.667 -2.484 1.00 0.00 C ATOM 1018 NH1 ARG A 72 6.664 -4.910 -1.397 1.00 0.00 N ATOM 1019 NH2 ARG A 72 7.679 -6.583 -2.596 1.00 0.00 N ATOM 0 H ARG A 72 3.639 -1.463 -6.154 1.00 0.00 H new ATOM 0 HA ARG A 72 5.230 -1.884 -3.830 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.985 -3.160 -6.564 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.250 -3.662 -5.459 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.299 -3.667 -4.737 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.135 -5.056 -5.402 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.104 -3.630 -2.900 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.926 -4.926 -2.837 1.00 0.00 H new ATOM 0 HE ARG A 72 5.912 -6.107 -4.282 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.933 -4.205 -1.308 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.348 -5.033 -0.650 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.730 -7.167 -3.431 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.361 -6.704 -1.847 1.00 0.00 H new ATOM 1033 N CYS A 73 6.730 -0.729 -6.541 1.00 0.00 N ATOM 1034 CA CYS A 73 7.938 -0.068 -7.020 1.00 0.00 C ATOM 1035 C CYS A 73 7.791 1.450 -6.950 1.00 0.00 C ATOM 1036 O CYS A 73 8.712 2.155 -6.541 1.00 0.00 O ATOM 1037 CB CYS A 73 8.244 -0.496 -8.456 1.00 0.00 C ATOM 1038 SG CYS A 73 6.925 -0.097 -9.648 1.00 0.00 S ATOM 0 H CYS A 73 6.004 -0.844 -7.248 1.00 0.00 H new ATOM 0 HA CYS A 73 8.765 -0.366 -6.376 1.00 0.00 H new ATOM 0 HB2 CYS A 73 9.168 -0.015 -8.778 1.00 0.00 H new ATOM 0 HB3 CYS A 73 8.422 -1.571 -8.473 1.00 0.00 H new ATOM 1043 N GLY A 74 6.625 1.945 -7.354 1.00 0.00 N ATOM 1044 CA GLY A 74 6.378 3.375 -7.330 1.00 0.00 C ATOM 1045 C GLY A 74 6.609 4.026 -8.679 1.00 0.00 C ATOM 1046 O GLY A 74 7.024 5.181 -8.756 1.00 0.00 O ATOM 0 H GLY A 74 5.847 1.381 -7.697 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.351 3.558 -7.013 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.028 3.841 -6.589 1.00 0.00 H new ATOM 1050 N GLY A 75 6.339 3.282 -9.748 1.00 0.00 N ATOM 1051 CA GLY A 75 6.528 3.810 -11.086 1.00 0.00 C ATOM 1052 C GLY A 75 7.980 3.783 -11.521 1.00 0.00 C ATOM 1053 O GLY A 75 8.453 4.705 -12.184 1.00 0.00 O ATOM 0 H GLY A 75 5.993 2.323 -9.711 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.930 3.230 -11.790 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.160 4.835 -11.124 1.00 0.00 H new ATOM 1057 N ARG A 76 8.688 2.723 -11.146 1.00 0.00 N ATOM 1058 CA ARG A 76 10.096 2.581 -11.499 1.00 0.00 C ATOM 1059 C ARG A 76 10.322 1.327 -12.340 1.00 0.00 C ATOM 1060 O ARG A 76 11.079 1.346 -13.309 1.00 0.00 O ATOM 1061 CB ARG A 76 10.957 2.523 -10.236 1.00 0.00 C ATOM 1062 CG ARG A 76 12.377 2.043 -10.489 1.00 0.00 C ATOM 1063 CD ARG A 76 13.231 2.146 -9.235 1.00 0.00 C ATOM 1064 NE ARG A 76 12.666 1.385 -8.124 1.00 0.00 N ATOM 1065 CZ ARG A 76 11.804 1.892 -7.249 1.00 0.00 C ATOM 1066 NH1 ARG A 76 11.410 3.153 -7.357 1.00 0.00 N ATOM 1067 NH2 ARG A 76 11.335 1.136 -6.265 1.00 0.00 N ATOM 0 H ARG A 76 8.310 1.950 -10.598 1.00 0.00 H new ATOM 0 HA ARG A 76 10.386 3.450 -12.089 1.00 0.00 H new ATOM 0 HB2 ARG A 76 10.993 3.515 -9.785 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.482 1.860 -9.513 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.357 1.009 -10.833 1.00 0.00 H new ATOM 0 HG3 ARG A 76 12.826 2.635 -11.286 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.236 1.782 -9.450 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.326 3.193 -8.946 1.00 0.00 H new ATOM 0 HE ARG A 76 12.948 0.411 -8.014 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.769 3.736 -8.113 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.748 3.540 -6.684 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.636 0.165 -6.180 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.673 1.526 -5.594 1.00 0.00 H new ATOM 1081 N GLY A 77 9.659 0.239 -11.960 1.00 0.00 N ATOM 1082 CA GLY A 77 9.801 -1.008 -12.689 1.00 0.00 C ATOM 1083 C GLY A 77 10.468 -2.090 -11.863 1.00 0.00 C ATOM 1084 O GLY A 77 10.448 -3.264 -12.232 1.00 0.00 O ATOM 0 H GLY A 77 9.026 0.199 -11.161 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.817 -1.353 -13.008 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.385 -0.833 -13.592 1.00 0.00 H new ATOM 1088 N SER A 78 11.062 -1.694 -10.741 1.00 0.00 N ATOM 1089 CA SER A 78 11.742 -2.638 -9.863 1.00 0.00 C ATOM 1090 C SER A 78 11.811 -2.100 -8.437 1.00 0.00 C ATOM 1091 O SER A 78 11.613 -0.908 -8.201 1.00 0.00 O ATOM 1092 CB SER A 78 13.153 -2.923 -10.381 1.00 0.00 C ATOM 1093 OG SER A 78 13.114 -3.695 -11.569 1.00 0.00 O ATOM 0 H SER A 78 11.086 -0.726 -10.419 1.00 0.00 H new ATOM 0 HA SER A 78 11.171 -3.566 -9.856 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.671 -1.983 -10.571 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.724 -3.452 -9.618 1.00 0.00 H new ATOM 0 HG SER A 78 12.187 -3.777 -11.876 1.00 0.00 H new ATOM 1099 N ILE A 79 12.094 -2.988 -7.489 1.00 0.00 N ATOM 1100 CA ILE A 79 12.190 -2.603 -6.087 1.00 0.00 C ATOM 1101 C ILE A 79 13.637 -2.330 -5.690 1.00 0.00 C ATOM 1102 O ILE A 79 14.509 -3.182 -5.859 1.00 0.00 O ATOM 1103 CB ILE A 79 11.613 -3.693 -5.163 1.00 0.00 C ATOM 1104 CG1 ILE A 79 10.143 -3.951 -5.500 1.00 0.00 C ATOM 1105 CG2 ILE A 79 11.765 -3.286 -3.705 1.00 0.00 C ATOM 1106 CD1 ILE A 79 9.942 -5.039 -6.531 1.00 0.00 C ATOM 0 H ILE A 79 12.261 -3.978 -7.667 1.00 0.00 H new ATOM 0 HA ILE A 79 11.605 -1.691 -5.969 1.00 0.00 H new ATOM 0 HB ILE A 79 12.170 -4.616 -5.322 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.612 -4.223 -4.588 1.00 0.00 H new ATOM 0 HG13 ILE A 79 9.695 -3.027 -5.866 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.353 -4.066 -3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.821 -3.147 -3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.230 -2.353 -3.530 1.00 0.00 H new ATOM 0 HD11 ILE A 79 8.876 -5.168 -6.721 1.00 0.00 H new ATOM 0 HD12 ILE A 79 10.444 -4.760 -7.457 1.00 0.00 H new ATOM 0 HD13 ILE A 79 10.360 -5.974 -6.159 1.00 0.00 H new ATOM 1118 N ILE A 80 13.883 -1.137 -5.159 1.00 0.00 N ATOM 1119 CA ILE A 80 15.224 -0.752 -4.735 1.00 0.00 C ATOM 1120 C ILE A 80 15.489 -1.180 -3.296 1.00 0.00 C ATOM 1121 O ILE A 80 14.856 -0.683 -2.364 1.00 0.00 O ATOM 1122 CB ILE A 80 15.438 0.769 -4.855 1.00 0.00 C ATOM 1123 CG1 ILE A 80 15.257 1.219 -6.306 1.00 0.00 C ATOM 1124 CG2 ILE A 80 16.818 1.151 -4.344 1.00 0.00 C ATOM 1125 CD1 ILE A 80 14.995 2.701 -6.451 1.00 0.00 C ATOM 0 H ILE A 80 13.172 -0.421 -5.012 1.00 0.00 H new ATOM 0 HA ILE A 80 15.923 -1.262 -5.398 1.00 0.00 H new ATOM 0 HB ILE A 80 14.692 1.276 -4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 80 16.151 0.959 -6.873 1.00 0.00 H new ATOM 0 HG13 ILE A 80 14.428 0.667 -6.748 1.00 0.00 H new ATOM 0 HG21 ILE A 80 16.954 2.229 -4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 80 16.912 0.861 -3.298 1.00 0.00 H new ATOM 0 HG23 ILE A 80 17.579 0.638 -4.932 1.00 0.00 H new ATOM 0 HD11 ILE A 80 14.877 2.948 -7.506 1.00 0.00 H new ATOM 0 HD12 ILE A 80 14.084 2.964 -5.913 1.00 0.00 H new ATOM 0 HD13 ILE A 80 15.835 3.261 -6.039 1.00 0.00 H new ATOM 1137 N ILE A 81 16.429 -2.103 -3.122 1.00 0.00 N ATOM 1138 CA ILE A 81 16.780 -2.595 -1.796 1.00 0.00 C ATOM 1139 C ILE A 81 17.539 -1.538 -1.000 1.00 0.00 C ATOM 1140 O ILE A 81 17.396 -1.443 0.218 1.00 0.00 O ATOM 1141 CB ILE A 81 17.636 -3.873 -1.878 1.00 0.00 C ATOM 1142 CG1 ILE A 81 16.849 -4.997 -2.555 1.00 0.00 C ATOM 1143 CG2 ILE A 81 18.088 -4.298 -0.489 1.00 0.00 C ATOM 1144 CD1 ILE A 81 16.972 -4.996 -4.063 1.00 0.00 C ATOM 0 H ILE A 81 16.961 -2.525 -3.883 1.00 0.00 H new ATOM 0 HA ILE A 81 15.844 -2.826 -1.288 1.00 0.00 H new ATOM 0 HB ILE A 81 18.521 -3.662 -2.478 1.00 0.00 H new ATOM 0 HG12 ILE A 81 17.197 -5.956 -2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 81 15.797 -4.908 -2.284 1.00 0.00 H new ATOM 0 HG21 ILE A 81 18.692 -5.202 -0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 81 18.681 -3.502 -0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 81 17.215 -4.495 0.133 1.00 0.00 H new ATOM 0 HD11 ILE A 81 16.389 -5.819 -4.476 1.00 0.00 H new ATOM 0 HD12 ILE A 81 16.597 -4.052 -4.458 1.00 0.00 H new ATOM 0 HD13 ILE A 81 18.019 -5.116 -4.343 1.00 0.00 H new ATOM 1156 N SER A 82 18.345 -0.745 -1.699 1.00 0.00 N ATOM 1157 CA SER A 82 19.128 0.304 -1.058 1.00 0.00 C ATOM 1158 C SER A 82 18.926 1.642 -1.764 1.00 0.00 C ATOM 1159 O SER A 82 19.375 1.852 -2.891 1.00 0.00 O ATOM 1160 CB SER A 82 20.613 -0.066 -1.058 1.00 0.00 C ATOM 1161 OG SER A 82 20.959 -0.787 0.111 1.00 0.00 O ATOM 0 H SER A 82 18.473 -0.809 -2.709 1.00 0.00 H new ATOM 0 HA SER A 82 18.785 0.401 -0.028 1.00 0.00 H new ATOM 0 HB2 SER A 82 20.842 -0.665 -1.939 1.00 0.00 H new ATOM 0 HB3 SER A 82 21.217 0.839 -1.123 1.00 0.00 H new ATOM 0 HG SER A 82 21.912 -1.013 0.086 1.00 0.00 H new ATOM 1167 N PRO A 83 18.233 2.569 -1.086 1.00 0.00 N ATOM 1168 CA PRO A 83 17.955 3.902 -1.627 1.00 0.00 C ATOM 1169 C PRO A 83 19.209 4.765 -1.717 1.00 0.00 C ATOM 1170 O PRO A 83 20.025 4.790 -0.795 1.00 0.00 O ATOM 1171 CB PRO A 83 16.968 4.496 -0.618 1.00 0.00 C ATOM 1172 CG PRO A 83 17.250 3.776 0.655 1.00 0.00 C ATOM 1173 CD PRO A 83 17.668 2.386 0.262 1.00 0.00 C ATOM 0 HA PRO A 83 17.569 3.856 -2.645 1.00 0.00 H new ATOM 0 HB2 PRO A 83 17.114 5.570 -0.506 1.00 0.00 H new ATOM 0 HB3 PRO A 83 15.937 4.346 -0.938 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.038 4.275 1.219 1.00 0.00 H new ATOM 0 HG3 PRO A 83 16.367 3.752 1.293 1.00 0.00 H new ATOM 0 HD2 PRO A 83 18.404 1.977 0.954 1.00 0.00 H new ATOM 0 HD3 PRO A 83 16.822 1.699 0.253 1.00 0.00 H new ATOM 1181 N CYS A 84 19.357 5.471 -2.833 1.00 0.00 N ATOM 1182 CA CYS A 84 20.512 6.335 -3.044 1.00 0.00 C ATOM 1183 C CYS A 84 20.915 7.031 -1.747 1.00 0.00 C ATOM 1184 O CYS A 84 20.074 7.310 -0.892 1.00 0.00 O ATOM 1185 CB CYS A 84 20.205 7.378 -4.121 1.00 0.00 C ATOM 1186 SG CYS A 84 21.678 8.224 -4.777 1.00 0.00 S ATOM 0 H CYS A 84 18.691 5.462 -3.605 1.00 0.00 H new ATOM 0 HA CYS A 84 21.344 5.713 -3.376 1.00 0.00 H new ATOM 0 HB2 CYS A 84 19.682 6.892 -4.944 1.00 0.00 H new ATOM 0 HB3 CYS A 84 19.525 8.123 -3.707 1.00 0.00 H new ATOM 1191 N VAL A 85 22.207 7.309 -1.607 1.00 0.00 N ATOM 1192 CA VAL A 85 22.722 7.973 -0.416 1.00 0.00 C ATOM 1193 C VAL A 85 22.983 9.452 -0.681 1.00 0.00 C ATOM 1194 O VAL A 85 23.431 10.182 0.203 1.00 0.00 O ATOM 1195 CB VAL A 85 24.024 7.313 0.076 1.00 0.00 C ATOM 1196 CG1 VAL A 85 23.795 5.839 0.375 1.00 0.00 C ATOM 1197 CG2 VAL A 85 25.132 7.492 -0.950 1.00 0.00 C ATOM 0 H VAL A 85 22.917 7.084 -2.304 1.00 0.00 H new ATOM 0 HA VAL A 85 21.959 7.874 0.356 1.00 0.00 H new ATOM 0 HB VAL A 85 24.333 7.802 1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 85 24.725 5.389 0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 85 23.034 5.739 1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 85 23.462 5.332 -0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 85 26.045 7.020 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 85 24.835 7.030 -1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 85 25.312 8.555 -1.109 1.00 0.00 H new ATOM 1207 N VAL A 86 22.700 9.887 -1.904 1.00 0.00 N ATOM 1208 CA VAL A 86 22.903 11.279 -2.286 1.00 0.00 C ATOM 1209 C VAL A 86 21.571 11.994 -2.485 1.00 0.00 C ATOM 1210 O VAL A 86 21.415 13.156 -2.109 1.00 0.00 O ATOM 1211 CB VAL A 86 23.732 11.392 -3.580 1.00 0.00 C ATOM 1212 CG1 VAL A 86 23.265 12.576 -4.412 1.00 0.00 C ATOM 1213 CG2 VAL A 86 25.213 11.509 -3.255 1.00 0.00 C ATOM 0 H VAL A 86 22.329 9.295 -2.648 1.00 0.00 H new ATOM 0 HA VAL A 86 23.449 11.754 -1.471 1.00 0.00 H new ATOM 0 HB VAL A 86 23.583 10.486 -4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 86 23.862 12.640 -5.322 1.00 0.00 H new ATOM 0 HG12 VAL A 86 22.216 12.444 -4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 86 23.382 13.494 -3.836 1.00 0.00 H new ATOM 0 HG21 VAL A 86 25.783 11.588 -4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 86 25.383 12.398 -2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 86 25.536 10.625 -2.704 1.00 0.00 H new ATOM 1223 N CYS A 87 20.612 11.292 -3.079 1.00 0.00 N ATOM 1224 CA CYS A 87 19.292 11.858 -3.328 1.00 0.00 C ATOM 1225 C CYS A 87 18.237 11.182 -2.458 1.00 0.00 C ATOM 1226 O CYS A 87 17.150 11.722 -2.249 1.00 0.00 O ATOM 1227 CB CYS A 87 18.921 11.710 -4.805 1.00 0.00 C ATOM 1228 SG CYS A 87 18.850 9.985 -5.385 1.00 0.00 S ATOM 0 H CYS A 87 20.725 10.329 -3.397 1.00 0.00 H new ATOM 0 HA CYS A 87 19.325 12.917 -3.072 1.00 0.00 H new ATOM 0 HB2 CYS A 87 17.952 12.179 -4.974 1.00 0.00 H new ATOM 0 HB3 CYS A 87 19.648 12.255 -5.407 1.00 0.00 H new ATOM 1233 N ARG A 88 18.565 9.998 -1.952 1.00 0.00 N ATOM 1234 CA ARG A 88 17.646 9.247 -1.105 1.00 0.00 C ATOM 1235 C ARG A 88 16.445 8.755 -1.908 1.00 0.00 C ATOM 1236 O ARG A 88 15.319 8.741 -1.414 1.00 0.00 O ATOM 1237 CB ARG A 88 17.171 10.114 0.062 1.00 0.00 C ATOM 1238 CG ARG A 88 18.305 10.752 0.848 1.00 0.00 C ATOM 1239 CD ARG A 88 19.146 9.705 1.562 1.00 0.00 C ATOM 1240 NE ARG A 88 18.518 9.251 2.801 1.00 0.00 N ATOM 1241 CZ ARG A 88 18.784 8.083 3.374 1.00 0.00 C ATOM 1242 NH1 ARG A 88 19.662 7.256 2.824 1.00 0.00 N ATOM 1243 NH2 ARG A 88 18.172 7.741 4.501 1.00 0.00 N ATOM 0 H ARG A 88 19.461 9.538 -2.114 1.00 0.00 H new ATOM 0 HA ARG A 88 18.179 8.381 -0.713 1.00 0.00 H new ATOM 0 HB2 ARG A 88 16.519 10.899 -0.321 1.00 0.00 H new ATOM 0 HB3 ARG A 88 16.571 9.503 0.737 1.00 0.00 H new ATOM 0 HG2 ARG A 88 18.937 11.330 0.173 1.00 0.00 H new ATOM 0 HG3 ARG A 88 17.895 11.451 1.578 1.00 0.00 H new ATOM 0 HD2 ARG A 88 19.302 8.853 0.901 1.00 0.00 H new ATOM 0 HD3 ARG A 88 20.129 10.120 1.785 1.00 0.00 H new ATOM 0 HE ARG A 88 17.838 9.865 3.250 1.00 0.00 H new ATOM 0 HH11 ARG A 88 20.135 7.516 1.959 1.00 0.00 H new ATOM 0 HH12 ARG A 88 19.865 6.359 3.266 1.00 0.00 H new ATOM 0 HH21 ARG A 88 17.497 8.376 4.928 1.00 0.00 H new ATOM 0 HH22 ARG A 88 18.377 6.844 4.941 1.00 0.00 H new ATOM 1257 N GLY A 89 16.695 8.352 -3.150 1.00 0.00 N ATOM 1258 CA GLY A 89 15.625 7.866 -4.002 1.00 0.00 C ATOM 1259 C GLY A 89 14.768 8.988 -4.554 1.00 0.00 C ATOM 1260 O GLY A 89 13.553 8.844 -4.681 1.00 0.00 O ATOM 0 H GLY A 89 17.619 8.353 -3.581 1.00 0.00 H new ATOM 0 HA2 GLY A 89 16.052 7.299 -4.829 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.997 7.179 -3.435 1.00 0.00 H new ATOM 1264 N ALA A 90 15.402 10.109 -4.881 1.00 0.00 N ATOM 1265 CA ALA A 90 14.690 11.260 -5.422 1.00 0.00 C ATOM 1266 C ALA A 90 15.008 11.457 -6.900 1.00 0.00 C ATOM 1267 O ALA A 90 14.133 11.805 -7.692 1.00 0.00 O ATOM 1268 CB ALA A 90 15.037 12.514 -4.634 1.00 0.00 C ATOM 0 H ALA A 90 16.408 10.245 -4.781 1.00 0.00 H new ATOM 0 HA ALA A 90 13.621 11.071 -5.329 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.498 13.366 -5.049 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.753 12.378 -3.591 1.00 0.00 H new ATOM 0 HB3 ALA A 90 16.110 12.698 -4.697 1.00 0.00 H new ATOM 1274 N GLY A 91 16.266 11.232 -7.265 1.00 0.00 N ATOM 1275 CA GLY A 91 16.677 11.391 -8.648 1.00 0.00 C ATOM 1276 C GLY A 91 17.078 12.817 -8.973 1.00 0.00 C ATOM 1277 O GLY A 91 17.092 13.213 -10.138 1.00 0.00 O ATOM 0 H GLY A 91 17.008 10.942 -6.628 1.00 0.00 H new ATOM 0 HA2 GLY A 91 17.515 10.725 -8.854 1.00 0.00 H new ATOM 0 HA3 GLY A 91 15.861 11.088 -9.304 1.00 0.00 H new ATOM 1281 N GLN A 92 17.403 13.589 -7.941 1.00 0.00 N ATOM 1282 CA GLN A 92 17.804 14.979 -8.124 1.00 0.00 C ATOM 1283 C GLN A 92 18.699 15.442 -6.980 1.00 0.00 C ATOM 1284 O GLN A 92 18.409 15.190 -5.811 1.00 0.00 O ATOM 1285 CB GLN A 92 16.570 15.878 -8.219 1.00 0.00 C ATOM 1286 CG GLN A 92 15.627 15.500 -9.349 1.00 0.00 C ATOM 1287 CD GLN A 92 14.359 16.332 -9.355 1.00 0.00 C ATOM 1288 OE1 GLN A 92 14.406 17.555 -9.222 1.00 0.00 O ATOM 1289 NE2 GLN A 92 13.218 15.672 -9.509 1.00 0.00 N ATOM 0 H GLN A 92 17.397 13.276 -6.970 1.00 0.00 H new ATOM 0 HA GLN A 92 18.369 15.050 -9.053 1.00 0.00 H new ATOM 0 HB2 GLN A 92 16.027 15.836 -7.275 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.893 16.910 -8.356 1.00 0.00 H new ATOM 0 HG2 GLN A 92 16.141 15.622 -10.302 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.365 14.446 -9.261 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.226 14.658 -9.616 1.00 0.00 H new ATOM 0 HE22 GLN A 92 12.333 16.179 -9.521 1.00 0.00 H new ATOM 1298 N ALA A 93 19.788 16.121 -7.325 1.00 0.00 N ATOM 1299 CA ALA A 93 20.725 16.621 -6.326 1.00 0.00 C ATOM 1300 C ALA A 93 21.349 17.940 -6.771 1.00 0.00 C ATOM 1301 O ALA A 93 20.986 18.492 -7.809 1.00 0.00 O ATOM 1302 CB ALA A 93 21.808 15.588 -6.054 1.00 0.00 C ATOM 0 H ALA A 93 20.043 16.338 -8.289 1.00 0.00 H new ATOM 0 HA ALA A 93 20.172 16.803 -5.404 1.00 0.00 H new ATOM 0 HB1 ALA A 93 22.500 15.975 -5.306 1.00 0.00 H new ATOM 0 HB2 ALA A 93 21.351 14.670 -5.685 1.00 0.00 H new ATOM 0 HB3 ALA A 93 22.350 15.378 -6.976 1.00 0.00 H new ATOM 1308 N LYS A 94 22.290 18.441 -5.977 1.00 0.00 N ATOM 1309 CA LYS A 94 22.966 19.694 -6.289 1.00 0.00 C ATOM 1310 C LYS A 94 23.960 19.508 -7.430 1.00 0.00 C ATOM 1311 O LYS A 94 25.171 19.470 -7.210 1.00 0.00 O ATOM 1312 CB LYS A 94 23.689 20.229 -5.050 1.00 0.00 C ATOM 1313 CG LYS A 94 22.815 21.098 -4.163 1.00 0.00 C ATOM 1314 CD LYS A 94 23.360 21.173 -2.746 1.00 0.00 C ATOM 1315 CE LYS A 94 22.276 21.564 -1.753 1.00 0.00 C ATOM 1316 NZ LYS A 94 21.905 23.001 -1.873 1.00 0.00 N ATOM 0 H LYS A 94 22.601 17.998 -5.113 1.00 0.00 H new ATOM 0 HA LYS A 94 22.212 20.416 -6.603 1.00 0.00 H new ATOM 0 HB2 LYS A 94 24.062 19.388 -4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 94 24.557 20.806 -5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 94 22.752 22.102 -4.583 1.00 0.00 H new ATOM 0 HG3 LYS A 94 21.802 20.697 -4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 94 23.781 20.208 -2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 94 24.172 21.899 -2.705 1.00 0.00 H new ATOM 0 HE2 LYS A 94 21.393 20.946 -1.917 1.00 0.00 H new ATOM 0 HE3 LYS A 94 22.622 21.362 -0.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 21.164 23.227 -1.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 22.741 23.592 -1.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 21.550 23.189 -2.832 1.00 0.00 H new ATOM 1330 N GLN A 95 23.441 19.393 -8.648 1.00 0.00 N ATOM 1331 CA GLN A 95 24.285 19.211 -9.824 1.00 0.00 C ATOM 1332 C GLN A 95 24.392 20.506 -10.622 1.00 0.00 C ATOM 1333 O GLN A 95 23.383 21.113 -10.981 1.00 0.00 O ATOM 1334 CB GLN A 95 23.727 18.096 -10.710 1.00 0.00 C ATOM 1335 CG GLN A 95 24.424 16.759 -10.516 1.00 0.00 C ATOM 1336 CD GLN A 95 24.104 16.123 -9.178 1.00 0.00 C ATOM 1337 OE1 GLN A 95 23.535 15.033 -9.115 1.00 0.00 O ATOM 1338 NE2 GLN A 95 24.470 16.802 -8.097 1.00 0.00 N ATOM 0 H GLN A 95 22.441 19.423 -8.847 1.00 0.00 H new ATOM 0 HA GLN A 95 25.283 18.931 -9.485 1.00 0.00 H new ATOM 0 HB2 GLN A 95 22.664 17.976 -10.502 1.00 0.00 H new ATOM 0 HB3 GLN A 95 23.816 18.394 -11.755 1.00 0.00 H new ATOM 0 HG2 GLN A 95 24.129 16.080 -11.316 1.00 0.00 H new ATOM 0 HG3 GLN A 95 25.502 16.900 -10.599 1.00 0.00 H new ATOM 0 HE21 GLN A 95 24.939 17.702 -8.195 1.00 0.00 H new ATOM 0 HE22 GLN A 95 24.282 16.423 -7.169 1.00 0.00 H new ATOM 1347 N LYS A 96 25.623 20.925 -10.898 1.00 0.00 N ATOM 1348 CA LYS A 96 25.864 22.147 -11.655 1.00 0.00 C ATOM 1349 C LYS A 96 24.904 22.254 -12.836 1.00 0.00 C ATOM 1350 O LYS A 96 24.249 21.280 -13.207 1.00 0.00 O ATOM 1351 CB LYS A 96 27.310 22.186 -12.154 1.00 0.00 C ATOM 1352 CG LYS A 96 27.592 21.206 -13.279 1.00 0.00 C ATOM 1353 CD LYS A 96 27.925 19.823 -12.743 1.00 0.00 C ATOM 1354 CE LYS A 96 28.071 18.810 -13.868 1.00 0.00 C ATOM 1355 NZ LYS A 96 29.433 18.844 -14.471 1.00 0.00 N ATOM 0 H LYS A 96 26.469 20.435 -10.608 1.00 0.00 H new ATOM 0 HA LYS A 96 25.692 22.995 -10.992 1.00 0.00 H new ATOM 0 HB2 LYS A 96 27.540 23.195 -12.496 1.00 0.00 H new ATOM 0 HB3 LYS A 96 27.979 21.972 -11.321 1.00 0.00 H new ATOM 0 HG2 LYS A 96 26.724 21.144 -13.935 1.00 0.00 H new ATOM 0 HG3 LYS A 96 28.422 21.573 -13.883 1.00 0.00 H new ATOM 0 HD2 LYS A 96 28.851 19.867 -12.169 1.00 0.00 H new ATOM 0 HD3 LYS A 96 27.141 19.498 -12.059 1.00 0.00 H new ATOM 0 HE2 LYS A 96 27.868 17.810 -13.485 1.00 0.00 H new ATOM 0 HE3 LYS A 96 27.327 19.013 -14.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 29.493 18.140 -15.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 29.617 19.791 -14.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 30.141 18.625 -13.741 1.00 0.00 H new ATOM 1369 N LYS A 97 24.828 23.443 -13.425 1.00 0.00 N ATOM 1370 CA LYS A 97 23.951 23.676 -14.566 1.00 0.00 C ATOM 1371 C LYS A 97 24.557 23.104 -15.844 1.00 0.00 C ATOM 1372 O LYS A 97 25.602 23.562 -16.305 1.00 0.00 O ATOM 1373 CB LYS A 97 23.693 25.175 -14.739 1.00 0.00 C ATOM 1374 CG LYS A 97 22.600 25.712 -13.830 1.00 0.00 C ATOM 1375 CD LYS A 97 21.218 25.451 -14.405 1.00 0.00 C ATOM 1376 CE LYS A 97 20.672 24.105 -13.953 1.00 0.00 C ATOM 1377 NZ LYS A 97 19.184 24.102 -13.897 1.00 0.00 N ATOM 0 H LYS A 97 25.363 24.260 -13.131 1.00 0.00 H new ATOM 0 HA LYS A 97 23.005 23.170 -14.375 1.00 0.00 H new ATOM 0 HB2 LYS A 97 24.617 25.719 -14.543 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.421 25.371 -15.776 1.00 0.00 H new ATOM 0 HG2 LYS A 97 22.680 25.246 -12.848 1.00 0.00 H new ATOM 0 HG3 LYS A 97 22.739 26.784 -13.686 1.00 0.00 H new ATOM 0 HD2 LYS A 97 20.538 26.244 -14.094 1.00 0.00 H new ATOM 0 HD3 LYS A 97 21.264 25.479 -15.494 1.00 0.00 H new ATOM 0 HE2 LYS A 97 21.011 23.327 -14.637 1.00 0.00 H new ATOM 0 HE3 LYS A 97 21.073 23.862 -12.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.850 23.168 -13.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.860 24.827 -13.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 18.801 24.309 -14.841 1.00 0.00 H new ATOM 1391 N ARG A 98 23.893 22.102 -16.411 1.00 0.00 N ATOM 1392 CA ARG A 98 24.366 21.468 -17.635 1.00 0.00 C ATOM 1393 C ARG A 98 23.483 21.847 -18.820 1.00 0.00 C ATOM 1394 O ARG A 98 23.979 22.246 -19.874 1.00 0.00 O ATOM 1395 CB ARG A 98 24.391 19.947 -17.470 1.00 0.00 C ATOM 1396 CG ARG A 98 24.802 19.205 -18.731 1.00 0.00 C ATOM 1397 CD ARG A 98 26.302 18.956 -18.767 1.00 0.00 C ATOM 1398 NE ARG A 98 26.752 18.514 -20.084 1.00 0.00 N ATOM 1399 CZ ARG A 98 27.868 17.822 -20.286 1.00 0.00 C ATOM 1400 NH1 ARG A 98 28.642 17.493 -19.261 1.00 0.00 N ATOM 1401 NH2 ARG A 98 28.211 17.456 -21.514 1.00 0.00 N ATOM 0 H ARG A 98 23.026 21.712 -16.042 1.00 0.00 H new ATOM 0 HA ARG A 98 25.378 21.822 -17.830 1.00 0.00 H new ATOM 0 HB2 ARG A 98 25.080 19.688 -16.666 1.00 0.00 H new ATOM 0 HB3 ARG A 98 23.402 19.607 -17.164 1.00 0.00 H new ATOM 0 HG2 ARG A 98 24.273 18.254 -18.783 1.00 0.00 H new ATOM 0 HG3 ARG A 98 24.507 19.783 -19.607 1.00 0.00 H new ATOM 0 HD2 ARG A 98 26.828 19.870 -18.492 1.00 0.00 H new ATOM 0 HD3 ARG A 98 26.562 18.203 -18.023 1.00 0.00 H new ATOM 0 HE ARG A 98 26.178 18.750 -20.894 1.00 0.00 H new ATOM 0 HH11 ARG A 98 28.381 17.771 -18.315 1.00 0.00 H new ATOM 0 HH12 ARG A 98 29.498 16.962 -19.418 1.00 0.00 H new ATOM 0 HH21 ARG A 98 27.618 17.706 -22.305 1.00 0.00 H new ATOM 0 HH22 ARG A 98 29.068 16.925 -21.667 1.00 0.00 H new ATOM 1415 N SER A 99 22.173 21.720 -18.640 1.00 0.00 N ATOM 1416 CA SER A 99 21.221 22.045 -19.696 1.00 0.00 C ATOM 1417 C SER A 99 19.864 22.422 -19.107 1.00 0.00 C ATOM 1418 O SER A 99 19.135 21.568 -18.603 1.00 0.00 O ATOM 1419 CB SER A 99 21.063 20.861 -20.652 1.00 0.00 C ATOM 1420 OG SER A 99 22.172 20.763 -21.529 1.00 0.00 O ATOM 0 H SER A 99 21.746 21.394 -17.773 1.00 0.00 H new ATOM 0 HA SER A 99 21.608 22.900 -20.249 1.00 0.00 H new ATOM 0 HB2 SER A 99 20.965 19.938 -20.080 1.00 0.00 H new ATOM 0 HB3 SER A 99 20.147 20.976 -21.231 1.00 0.00 H new ATOM 0 HG SER A 99 22.926 21.269 -21.161 1.00 0.00 H new ATOM 1426 N GLY A 100 19.533 23.707 -19.176 1.00 0.00 N ATOM 1427 CA GLY A 100 18.266 24.176 -18.646 1.00 0.00 C ATOM 1428 C GLY A 100 17.399 24.826 -19.706 1.00 0.00 C ATOM 1429 O GLY A 100 16.428 24.242 -20.188 1.00 0.00 O ATOM 0 H GLY A 100 20.119 24.432 -19.589 1.00 0.00 H new ATOM 0 HA2 GLY A 100 17.728 23.337 -18.205 1.00 0.00 H new ATOM 0 HA3 GLY A 100 18.453 24.891 -17.845 1.00 0.00 H new ATOM 1433 N PRO A 101 17.748 26.064 -20.085 1.00 0.00 N ATOM 1434 CA PRO A 101 17.007 26.821 -21.098 1.00 0.00 C ATOM 1435 C PRO A 101 17.179 26.239 -22.497 1.00 0.00 C ATOM 1436 O PRO A 101 16.601 26.739 -23.462 1.00 0.00 O ATOM 1437 CB PRO A 101 17.626 28.219 -21.020 1.00 0.00 C ATOM 1438 CG PRO A 101 18.999 27.996 -20.486 1.00 0.00 C ATOM 1439 CD PRO A 101 18.894 26.821 -19.553 1.00 0.00 C ATOM 0 HA PRO A 101 15.933 26.805 -20.914 1.00 0.00 H new ATOM 0 HB2 PRO A 101 17.655 28.694 -22.000 1.00 0.00 H new ATOM 0 HB3 PRO A 101 17.048 28.872 -20.366 1.00 0.00 H new ATOM 0 HG2 PRO A 101 19.703 27.792 -21.293 1.00 0.00 H new ATOM 0 HG3 PRO A 101 19.362 28.880 -19.961 1.00 0.00 H new ATOM 0 HD2 PRO A 101 19.806 26.224 -19.555 1.00 0.00 H new ATOM 0 HD3 PRO A 101 18.723 27.139 -18.524 1.00 0.00 H new ATOM 1447 N SER A 102 17.976 25.181 -22.599 1.00 0.00 N ATOM 1448 CA SER A 102 18.227 24.533 -23.881 1.00 0.00 C ATOM 1449 C SER A 102 17.819 23.063 -23.836 1.00 0.00 C ATOM 1450 O SER A 102 18.072 22.368 -22.853 1.00 0.00 O ATOM 1451 CB SER A 102 19.705 24.653 -24.257 1.00 0.00 C ATOM 1452 OG SER A 102 19.895 24.458 -25.648 1.00 0.00 O ATOM 0 H SER A 102 18.459 24.754 -21.809 1.00 0.00 H new ATOM 0 HA SER A 102 17.625 25.036 -24.638 1.00 0.00 H new ATOM 0 HB2 SER A 102 20.078 25.636 -23.970 1.00 0.00 H new ATOM 0 HB3 SER A 102 20.286 23.917 -23.701 1.00 0.00 H new ATOM 0 HG SER A 102 20.847 24.541 -25.863 1.00 0.00 H new ATOM 1458 N SER A 103 17.186 22.598 -24.908 1.00 0.00 N ATOM 1459 CA SER A 103 16.740 21.212 -24.991 1.00 0.00 C ATOM 1460 C SER A 103 15.729 20.901 -23.892 1.00 0.00 C ATOM 1461 O SER A 103 15.908 19.963 -23.116 1.00 0.00 O ATOM 1462 CB SER A 103 17.934 20.262 -24.885 1.00 0.00 C ATOM 1463 OG SER A 103 18.676 20.239 -26.093 1.00 0.00 O ATOM 0 H SER A 103 16.970 23.160 -25.731 1.00 0.00 H new ATOM 0 HA SER A 103 16.256 21.069 -25.957 1.00 0.00 H new ATOM 0 HB2 SER A 103 18.579 20.574 -24.064 1.00 0.00 H new ATOM 0 HB3 SER A 103 17.583 19.257 -24.651 1.00 0.00 H new ATOM 0 HG SER A 103 19.435 19.626 -25.999 1.00 0.00 H new ATOM 1469 N GLY A 104 14.665 21.696 -23.832 1.00 0.00 N ATOM 1470 CA GLY A 104 13.641 21.490 -22.825 1.00 0.00 C ATOM 1471 C GLY A 104 12.281 21.203 -23.431 1.00 0.00 C ATOM 1472 O GLY A 104 11.642 22.127 -23.932 1.00 0.00 O ATOM 0 H GLY A 104 14.494 22.479 -24.463 1.00 0.00 H new ATOM 0 HA2 GLY A 104 13.931 20.660 -22.181 1.00 0.00 H new ATOM 0 HA3 GLY A 104 13.574 22.375 -22.193 1.00 0.00 H new TER 1476 GLY A 104 HETATM 1477 ZN ZN A 201 5.897 -2.183 -10.040 1.00 0.00 ZN HETATM 1478 ZN ZN A 401 20.809 9.466 -6.518 1.00 0.00 ZN