USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 687 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 30 SER OG : rot -41:sc= 2.24 USER MOD Set 1.2: A 32 THR OG1 : rot 61:sc= 1.22 USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.0275 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0592 USER MOD Single : A 8 GLN : amide:sc= 0.0407 X(o=0.041,f=0) USER MOD Single : A 12 MET CE :methyl -157:sc= -0.385 (180deg=-1.11) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -111:sc= 2.16 (180deg=-1.21) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot -170:sc= -0.122 USER MOD Single : A 34 GLN : amide:sc= -0.0592 X(o=-0.059,f=-0.42) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.0244 K(o=-0.024,f=-1.2) USER MOD Single : A 45 CYS SG : rot -154:sc= 0.272 USER MOD Single : A 49 CYS SG : rot 48:sc= 0.239 USER MOD Single : A 58 ASN : amide:sc= -0.217 K(o=-0.22,f=-1.8!) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0.464 K(o=0.46,f=-5.2!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0346 USER MOD Single : A 67 HIS : no HD1:sc= -0.0728 X(o=-0.073,f=-0.003) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 75 LYS NZ :NH3+ -176:sc= 0.692 (180deg=0.675) USER MOD Single : A 77 CYS SG : rot 61:sc= 0.877 USER MOD Single : A 81 SER OG : rot -170:sc= -0.127 USER MOD Single : A 83 THR OG1 : rot -160:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.439 X(o=-0.44,f=-0.17) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 10:sc= 1.21 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.269 12.829 -10.504 1.00 0.00 N ATOM 2 CA GLY A 1 20.464 13.878 -9.852 1.00 0.00 C ATOM 3 C GLY A 1 19.307 13.221 -9.123 1.00 0.00 C ATOM 4 O GLY A 1 19.526 12.217 -8.445 1.00 0.00 O ATOM 0 H1 GLY A 1 22.279 13.020 -10.349 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.026 11.903 -10.098 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.070 12.823 -11.525 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.078 14.445 -9.153 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.091 14.584 -10.594 1.00 0.00 H new ATOM 8 N SER A 2 18.095 13.753 -9.297 1.00 0.00 N ATOM 9 CA SER A 2 16.864 13.218 -8.733 1.00 0.00 C ATOM 10 C SER A 2 15.744 13.464 -9.751 1.00 0.00 C ATOM 11 O SER A 2 15.899 14.305 -10.643 1.00 0.00 O ATOM 12 CB SER A 2 16.566 13.940 -7.409 1.00 0.00 C ATOM 13 OG SER A 2 17.647 13.816 -6.505 1.00 0.00 O ATOM 0 H SER A 2 17.944 14.595 -9.853 1.00 0.00 H new ATOM 0 HA SER A 2 16.948 12.150 -8.530 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.370 14.994 -7.603 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.664 13.525 -6.960 1.00 0.00 H new ATOM 0 HG SER A 2 17.432 14.285 -5.672 1.00 0.00 H new ATOM 19 N SER A 3 14.625 12.760 -9.608 1.00 0.00 N ATOM 20 CA SER A 3 13.406 12.980 -10.376 1.00 0.00 C ATOM 21 C SER A 3 12.217 12.966 -9.418 1.00 0.00 C ATOM 22 O SER A 3 12.339 12.473 -8.291 1.00 0.00 O ATOM 23 CB SER A 3 13.301 11.927 -11.493 1.00 0.00 C ATOM 24 OG SER A 3 13.580 10.599 -11.063 1.00 0.00 O ATOM 0 H SER A 3 14.540 11.999 -8.935 1.00 0.00 H new ATOM 0 HA SER A 3 13.418 13.952 -10.869 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.296 11.958 -11.915 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.991 12.191 -12.294 1.00 0.00 H new ATOM 0 HG SER A 3 13.493 9.985 -11.821 1.00 0.00 H new ATOM 30 N GLY A 4 11.055 13.443 -9.852 1.00 0.00 N ATOM 31 CA GLY A 4 9.841 13.403 -9.057 1.00 0.00 C ATOM 32 C GLY A 4 8.667 13.896 -9.881 1.00 0.00 C ATOM 33 O GLY A 4 8.828 14.118 -11.083 1.00 0.00 O ATOM 0 H GLY A 4 10.932 13.870 -10.770 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.654 12.385 -8.714 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.958 14.022 -8.168 1.00 0.00 H new ATOM 37 N SER A 5 7.510 14.011 -9.234 1.00 0.00 N ATOM 38 CA SER A 5 6.168 14.311 -9.730 1.00 0.00 C ATOM 39 C SER A 5 5.358 13.023 -9.594 1.00 0.00 C ATOM 40 O SER A 5 5.916 11.924 -9.524 1.00 0.00 O ATOM 41 CB SER A 5 6.129 14.859 -11.170 1.00 0.00 C ATOM 42 OG SER A 5 4.877 15.454 -11.442 1.00 0.00 O ATOM 0 H SER A 5 7.489 13.880 -8.223 1.00 0.00 H new ATOM 0 HA SER A 5 5.744 15.122 -9.138 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.924 15.592 -11.307 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.315 14.051 -11.878 1.00 0.00 H new ATOM 0 HG SER A 5 4.871 15.798 -12.360 1.00 0.00 H new ATOM 48 N SER A 6 4.035 13.150 -9.590 1.00 0.00 N ATOM 49 CA SER A 6 3.111 12.067 -9.273 1.00 0.00 C ATOM 50 C SER A 6 3.254 10.861 -10.222 1.00 0.00 C ATOM 51 O SER A 6 2.949 9.739 -9.816 1.00 0.00 O ATOM 52 CB SER A 6 1.679 12.627 -9.251 1.00 0.00 C ATOM 53 OG SER A 6 1.664 13.979 -8.796 1.00 0.00 O ATOM 0 H SER A 6 3.565 14.028 -9.812 1.00 0.00 H new ATOM 0 HA SER A 6 3.358 11.676 -8.286 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.248 12.572 -10.251 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.055 12.014 -8.600 1.00 0.00 H new ATOM 0 HG SER A 6 0.743 14.313 -8.793 1.00 0.00 H new ATOM 59 N GLY A 7 3.772 11.055 -11.443 1.00 0.00 N ATOM 60 CA GLY A 7 4.131 9.969 -12.346 1.00 0.00 C ATOM 61 C GLY A 7 2.889 9.185 -12.752 1.00 0.00 C ATOM 62 O GLY A 7 1.853 9.787 -13.052 1.00 0.00 O ATOM 0 H GLY A 7 3.953 11.982 -11.829 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.621 10.371 -13.233 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.846 9.305 -11.860 1.00 0.00 H new ATOM 66 N GLN A 8 2.983 7.858 -12.769 1.00 0.00 N ATOM 67 CA GLN A 8 1.880 6.934 -13.005 1.00 0.00 C ATOM 68 C GLN A 8 2.076 5.725 -12.087 1.00 0.00 C ATOM 69 O GLN A 8 3.178 5.501 -11.574 1.00 0.00 O ATOM 70 CB GLN A 8 1.814 6.534 -14.490 1.00 0.00 C ATOM 71 CG GLN A 8 3.142 5.981 -15.026 1.00 0.00 C ATOM 72 CD GLN A 8 2.992 5.445 -16.442 1.00 0.00 C ATOM 73 OE1 GLN A 8 2.886 6.201 -17.405 1.00 0.00 O ATOM 74 NE2 GLN A 8 3.006 4.132 -16.609 1.00 0.00 N ATOM 0 H GLN A 8 3.869 7.378 -12.612 1.00 0.00 H new ATOM 0 HA GLN A 8 0.925 7.406 -12.775 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.035 5.783 -14.623 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.524 7.403 -15.081 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.897 6.767 -15.012 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.497 5.186 -14.371 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.095 3.516 -15.801 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.928 3.736 -17.546 1.00 0.00 H new ATOM 83 N ALA A 9 1.026 4.934 -11.885 1.00 0.00 N ATOM 84 CA ALA A 9 0.920 4.015 -10.761 1.00 0.00 C ATOM 85 C ALA A 9 0.205 2.752 -11.224 1.00 0.00 C ATOM 86 O ALA A 9 -1.011 2.628 -11.080 1.00 0.00 O ATOM 87 CB ALA A 9 0.182 4.721 -9.626 1.00 0.00 C ATOM 0 H ALA A 9 0.217 4.915 -12.506 1.00 0.00 H new ATOM 0 HA ALA A 9 1.901 3.720 -10.390 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.093 4.046 -8.775 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.738 5.610 -9.328 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.813 5.011 -9.964 1.00 0.00 H new ATOM 93 N GLU A 10 0.972 1.842 -11.813 1.00 0.00 N ATOM 94 CA GLU A 10 0.503 0.590 -12.374 1.00 0.00 C ATOM 95 C GLU A 10 0.340 -0.410 -11.231 1.00 0.00 C ATOM 96 O GLU A 10 1.308 -1.002 -10.743 1.00 0.00 O ATOM 97 CB GLU A 10 1.468 0.107 -13.469 1.00 0.00 C ATOM 98 CG GLU A 10 1.435 1.069 -14.665 1.00 0.00 C ATOM 99 CD GLU A 10 2.319 0.605 -15.821 1.00 0.00 C ATOM 100 OE1 GLU A 10 1.934 -0.333 -16.553 1.00 0.00 O ATOM 101 OE2 GLU A 10 3.344 1.265 -16.110 1.00 0.00 O ATOM 0 H GLU A 10 1.979 1.966 -11.915 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.466 0.711 -12.859 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.481 0.045 -13.070 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.191 -0.896 -13.792 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.408 1.170 -15.016 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.759 2.058 -14.340 1.00 0.00 H new ATOM 108 N LEU A 11 -0.903 -0.544 -10.774 1.00 0.00 N ATOM 109 CA LEU A 11 -1.364 -1.578 -9.849 1.00 0.00 C ATOM 110 C LEU A 11 -0.987 -2.946 -10.419 1.00 0.00 C ATOM 111 O LEU A 11 -1.253 -3.225 -11.591 1.00 0.00 O ATOM 112 CB LEU A 11 -2.896 -1.488 -9.678 1.00 0.00 C ATOM 113 CG LEU A 11 -3.441 -0.513 -8.615 1.00 0.00 C ATOM 114 CD1 LEU A 11 -3.322 -1.158 -7.234 1.00 0.00 C ATOM 115 CD2 LEU A 11 -2.755 0.857 -8.629 1.00 0.00 C ATOM 0 H LEU A 11 -1.650 0.093 -11.050 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.896 -1.438 -8.875 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.325 -1.210 -10.640 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.266 -2.485 -9.440 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.486 -0.323 -8.859 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.706 -0.473 -6.478 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.900 -2.082 -7.213 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.275 -1.379 -7.025 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.190 1.490 -7.855 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.689 0.732 -8.439 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.898 1.325 -9.603 1.00 0.00 H new ATOM 127 N MET A 12 -0.420 -3.819 -9.588 1.00 0.00 N ATOM 128 CA MET A 12 -0.063 -5.173 -10.005 1.00 0.00 C ATOM 129 C MET A 12 -1.259 -6.084 -9.767 1.00 0.00 C ATOM 130 O MET A 12 -2.114 -5.808 -8.927 1.00 0.00 O ATOM 131 CB MET A 12 1.149 -5.700 -9.216 1.00 0.00 C ATOM 132 CG MET A 12 2.480 -5.274 -9.844 1.00 0.00 C ATOM 133 SD MET A 12 3.855 -6.424 -9.544 1.00 0.00 S ATOM 134 CE MET A 12 3.970 -6.368 -7.733 1.00 0.00 C ATOM 0 H MET A 12 -0.197 -3.610 -8.615 1.00 0.00 H new ATOM 0 HA MET A 12 0.206 -5.157 -11.061 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.100 -5.334 -8.191 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.104 -6.788 -9.168 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.342 -5.165 -10.920 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.753 -4.292 -9.457 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.971 -6.668 -7.423 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.771 -5.354 -7.387 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.237 -7.049 -7.301 1.00 0.00 H new ATOM 144 N THR A 13 -1.336 -7.192 -10.498 1.00 0.00 N ATOM 145 CA THR A 13 -2.308 -8.240 -10.262 1.00 0.00 C ATOM 146 C THR A 13 -1.577 -9.571 -10.332 1.00 0.00 C ATOM 147 O THR A 13 -1.120 -9.993 -11.396 1.00 0.00 O ATOM 148 CB THR A 13 -3.472 -8.110 -11.239 1.00 0.00 C ATOM 149 OG1 THR A 13 -4.016 -6.802 -11.175 1.00 0.00 O ATOM 150 CG2 THR A 13 -4.548 -9.142 -10.917 1.00 0.00 C ATOM 0 H THR A 13 -0.712 -7.384 -11.282 1.00 0.00 H new ATOM 0 HA THR A 13 -2.760 -8.162 -9.273 1.00 0.00 H new ATOM 0 HB THR A 13 -3.105 -8.291 -12.249 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.762 -6.727 -11.806 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.373 -9.039 -11.621 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.126 -10.144 -10.996 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.914 -8.982 -9.903 1.00 0.00 H new ATOM 158 N LEU A 14 -1.443 -10.175 -9.156 1.00 0.00 N ATOM 159 CA LEU A 14 -0.842 -11.466 -8.890 1.00 0.00 C ATOM 160 C LEU A 14 -1.976 -12.486 -8.768 1.00 0.00 C ATOM 161 O LEU A 14 -3.160 -12.135 -8.772 1.00 0.00 O ATOM 162 CB LEU A 14 -0.007 -11.396 -7.600 1.00 0.00 C ATOM 163 CG LEU A 14 1.114 -10.333 -7.599 1.00 0.00 C ATOM 164 CD1 LEU A 14 1.743 -10.268 -6.205 1.00 0.00 C ATOM 165 CD2 LEU A 14 2.207 -10.619 -8.637 1.00 0.00 C ATOM 0 H LEU A 14 -1.780 -9.735 -8.300 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.170 -11.762 -9.695 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.676 -11.196 -6.763 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.441 -12.374 -7.423 1.00 0.00 H new ATOM 0 HG LEU A 14 0.658 -9.380 -7.867 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.535 -9.519 -6.198 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.981 -9.997 -5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.161 -11.241 -5.949 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.967 -9.839 -8.590 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.665 -11.585 -8.426 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.766 -10.636 -9.634 1.00 0.00 H new ATOM 177 N THR A 15 -1.652 -13.774 -8.741 1.00 0.00 N ATOM 178 CA THR A 15 -2.644 -14.826 -8.561 1.00 0.00 C ATOM 179 C THR A 15 -2.097 -15.836 -7.540 1.00 0.00 C ATOM 180 O THR A 15 -0.879 -15.949 -7.374 1.00 0.00 O ATOM 181 CB THR A 15 -2.989 -15.412 -9.945 1.00 0.00 C ATOM 182 OG1 THR A 15 -3.135 -14.378 -10.920 1.00 0.00 O ATOM 183 CG2 THR A 15 -4.288 -16.212 -9.937 1.00 0.00 C ATOM 0 H THR A 15 -0.697 -14.117 -8.843 1.00 0.00 H new ATOM 0 HA THR A 15 -3.585 -14.461 -8.148 1.00 0.00 H new ATOM 0 HB THR A 15 -2.158 -16.071 -10.196 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.352 -14.776 -11.789 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.482 -16.601 -10.937 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.200 -17.042 -9.235 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.111 -15.566 -9.633 1.00 0.00 H new ATOM 191 N ILE A 16 -2.985 -16.509 -6.803 1.00 0.00 N ATOM 192 CA ILE A 16 -2.653 -17.455 -5.745 1.00 0.00 C ATOM 193 C ILE A 16 -3.659 -18.605 -5.729 1.00 0.00 C ATOM 194 O ILE A 16 -4.859 -18.362 -5.674 1.00 0.00 O ATOM 195 CB ILE A 16 -2.600 -16.755 -4.369 1.00 0.00 C ATOM 196 CG1 ILE A 16 -3.850 -15.944 -3.988 1.00 0.00 C ATOM 197 CG2 ILE A 16 -1.410 -15.801 -4.230 1.00 0.00 C ATOM 198 CD1 ILE A 16 -3.757 -15.425 -2.557 1.00 0.00 C ATOM 0 H ILE A 16 -3.991 -16.403 -6.935 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.662 -17.862 -5.949 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.514 -17.607 -3.694 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.966 -15.105 -4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.738 -16.568 -4.094 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.427 -15.340 -3.243 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.481 -16.357 -4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.474 -15.026 -4.994 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.655 -14.856 -2.317 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.666 -16.266 -1.870 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.883 -14.781 -2.460 1.00 0.00 H new ATOM 210 N VAL A 17 -3.214 -19.856 -5.750 1.00 0.00 N ATOM 211 CA VAL A 17 -4.055 -21.037 -5.685 1.00 0.00 C ATOM 212 C VAL A 17 -3.877 -21.706 -4.333 1.00 0.00 C ATOM 213 O VAL A 17 -2.789 -22.095 -3.904 1.00 0.00 O ATOM 214 CB VAL A 17 -3.859 -21.935 -6.917 1.00 0.00 C ATOM 215 CG1 VAL A 17 -2.536 -21.732 -7.651 1.00 0.00 C ATOM 216 CG2 VAL A 17 -4.159 -23.421 -6.694 1.00 0.00 C ATOM 0 H VAL A 17 -2.221 -20.080 -5.815 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.110 -20.767 -5.741 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.639 -21.572 -7.586 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.486 -22.407 -8.505 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.467 -20.701 -7.999 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.708 -21.942 -6.974 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.991 -23.969 -7.621 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.502 -23.812 -5.917 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.197 -23.540 -6.385 1.00 0.00 H new ATOM 226 N LYS A 18 -5.005 -21.803 -3.644 1.00 0.00 N ATOM 227 CA LYS A 18 -5.133 -22.491 -2.376 1.00 0.00 C ATOM 228 C LYS A 18 -4.699 -23.939 -2.551 1.00 0.00 C ATOM 229 O LYS A 18 -5.335 -24.666 -3.306 1.00 0.00 O ATOM 230 CB LYS A 18 -6.587 -22.412 -1.922 1.00 0.00 C ATOM 231 CG LYS A 18 -6.775 -21.587 -0.654 1.00 0.00 C ATOM 232 CD LYS A 18 -8.224 -21.110 -0.539 1.00 0.00 C ATOM 233 CE LYS A 18 -8.480 -20.782 0.925 1.00 0.00 C ATOM 234 NZ LYS A 18 -9.910 -20.742 1.236 1.00 0.00 N ATOM 0 H LYS A 18 -5.881 -21.391 -3.966 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.500 -22.027 -1.619 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.188 -21.979 -2.722 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.963 -23.421 -1.751 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.512 -22.185 0.219 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.103 -20.729 -0.668 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.390 -20.232 -1.164 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.911 -21.882 -0.885 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.993 -21.527 1.554 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.030 -19.819 1.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.193 -19.763 1.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.452 -21.097 0.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.102 -21.339 2.066 1.00 0.00 H new ATOM 248 N GLY A 19 -3.659 -24.350 -1.842 1.00 0.00 N ATOM 249 CA GLY A 19 -3.239 -25.737 -1.759 1.00 0.00 C ATOM 250 C GLY A 19 -4.217 -26.505 -0.889 1.00 0.00 C ATOM 251 O GLY A 19 -5.065 -27.231 -1.402 1.00 0.00 O ATOM 0 H GLY A 19 -3.073 -23.716 -1.299 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.198 -26.177 -2.755 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.235 -25.801 -1.341 1.00 0.00 H new ATOM 255 N ALA A 20 -4.144 -26.325 0.427 1.00 0.00 N ATOM 256 CA ALA A 20 -5.127 -26.845 1.361 1.00 0.00 C ATOM 257 C ALA A 20 -5.226 -25.914 2.566 1.00 0.00 C ATOM 258 O ALA A 20 -4.347 -25.083 2.790 1.00 0.00 O ATOM 259 CB ALA A 20 -4.720 -28.255 1.799 1.00 0.00 C ATOM 0 H ALA A 20 -3.389 -25.807 0.876 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.104 -26.898 0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.458 -28.645 2.500 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.668 -28.906 0.927 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.744 -28.218 2.283 1.00 0.00 H new ATOM 265 N GLN A 21 -6.279 -26.092 3.364 1.00 0.00 N ATOM 266 CA GLN A 21 -6.572 -25.477 4.663 1.00 0.00 C ATOM 267 C GLN A 21 -6.709 -23.952 4.690 1.00 0.00 C ATOM 268 O GLN A 21 -7.291 -23.435 5.644 1.00 0.00 O ATOM 269 CB GLN A 21 -5.580 -25.982 5.727 1.00 0.00 C ATOM 270 CG GLN A 21 -5.686 -27.502 5.921 1.00 0.00 C ATOM 271 CD GLN A 21 -4.666 -28.020 6.922 1.00 0.00 C ATOM 272 OE1 GLN A 21 -4.923 -28.073 8.121 1.00 0.00 O ATOM 273 NE2 GLN A 21 -3.508 -28.422 6.446 1.00 0.00 N ATOM 0 H GLN A 21 -7.023 -26.734 3.091 1.00 0.00 H new ATOM 0 HA GLN A 21 -7.582 -25.810 4.900 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -4.564 -25.722 5.431 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.774 -25.479 6.674 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.690 -27.755 6.262 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.540 -28.001 4.963 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.321 -28.367 5.445 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.797 -28.789 7.078 1.00 0.00 H new ATOM 282 N GLY A 22 -6.249 -23.237 3.671 1.00 0.00 N ATOM 283 CA GLY A 22 -6.077 -21.800 3.697 1.00 0.00 C ATOM 284 C GLY A 22 -4.625 -21.517 3.359 1.00 0.00 C ATOM 285 O GLY A 22 -3.722 -22.233 3.818 1.00 0.00 O ATOM 0 H GLY A 22 -5.979 -23.658 2.782 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.740 -21.320 2.978 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.329 -21.400 4.679 1.00 0.00 H new ATOM 289 N PHE A 23 -4.416 -20.494 2.527 1.00 0.00 N ATOM 290 CA PHE A 23 -3.119 -20.144 1.975 1.00 0.00 C ATOM 291 C PHE A 23 -2.131 -20.022 3.124 1.00 0.00 C ATOM 292 O PHE A 23 -2.445 -19.373 4.126 1.00 0.00 O ATOM 293 CB PHE A 23 -3.171 -18.831 1.188 1.00 0.00 C ATOM 294 CG PHE A 23 -4.349 -18.609 0.260 1.00 0.00 C ATOM 295 CD1 PHE A 23 -5.577 -18.181 0.804 1.00 0.00 C ATOM 296 CD2 PHE A 23 -4.205 -18.732 -1.139 1.00 0.00 C ATOM 297 CE1 PHE A 23 -6.659 -17.894 -0.040 1.00 0.00 C ATOM 298 CE2 PHE A 23 -5.293 -18.428 -1.979 1.00 0.00 C ATOM 299 CZ PHE A 23 -6.510 -17.982 -1.427 1.00 0.00 C ATOM 0 H PHE A 23 -5.165 -19.876 2.216 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.809 -20.923 1.279 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.150 -18.010 1.905 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.259 -18.760 0.595 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.685 -18.074 1.873 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.266 -19.057 -1.562 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.610 -17.604 0.382 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.195 -18.537 -3.049 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.329 -17.708 -2.076 1.00 0.00 H new ATOM 309 N GLY A 24 -0.965 -20.654 3.001 1.00 0.00 N ATOM 310 CA GLY A 24 -0.001 -20.692 4.088 1.00 0.00 C ATOM 311 C GLY A 24 0.398 -19.286 4.523 1.00 0.00 C ATOM 312 O GLY A 24 0.561 -19.050 5.714 1.00 0.00 O ATOM 0 H GLY A 24 -0.669 -21.145 2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.426 -21.230 4.935 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.885 -21.243 3.772 1.00 0.00 H new ATOM 316 N PHE A 25 0.533 -18.346 3.581 1.00 0.00 N ATOM 317 CA PHE A 25 0.869 -16.970 3.900 1.00 0.00 C ATOM 318 C PHE A 25 -0.117 -16.386 4.904 1.00 0.00 C ATOM 319 O PHE A 25 -1.318 -16.676 4.881 1.00 0.00 O ATOM 320 CB PHE A 25 0.993 -16.076 2.653 1.00 0.00 C ATOM 321 CG PHE A 25 -0.292 -15.467 2.128 1.00 0.00 C ATOM 322 CD1 PHE A 25 -1.093 -16.201 1.247 1.00 0.00 C ATOM 323 CD2 PHE A 25 -0.663 -14.151 2.462 1.00 0.00 C ATOM 324 CE1 PHE A 25 -2.260 -15.640 0.707 1.00 0.00 C ATOM 325 CE2 PHE A 25 -1.800 -13.568 1.870 1.00 0.00 C ATOM 326 CZ PHE A 25 -2.605 -14.313 0.996 1.00 0.00 C ATOM 0 H PHE A 25 0.412 -18.524 2.584 1.00 0.00 H new ATOM 0 HA PHE A 25 1.857 -16.990 4.359 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.686 -15.266 2.881 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.443 -16.665 1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.811 -17.209 0.980 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.076 -13.588 3.172 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.895 -16.233 0.066 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.053 -12.542 2.090 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.482 -13.868 0.550 1.00 0.00 H new ATOM 336 N THR A 26 0.394 -15.536 5.775 1.00 0.00 N ATOM 337 CA THR A 26 -0.359 -14.898 6.831 1.00 0.00 C ATOM 338 C THR A 26 -0.546 -13.431 6.447 1.00 0.00 C ATOM 339 O THR A 26 0.254 -12.882 5.680 1.00 0.00 O ATOM 340 CB THR A 26 0.410 -15.104 8.147 1.00 0.00 C ATOM 341 OG1 THR A 26 1.787 -14.785 8.001 1.00 0.00 O ATOM 342 CG2 THR A 26 0.366 -16.566 8.596 1.00 0.00 C ATOM 0 H THR A 26 1.377 -15.264 5.764 1.00 0.00 H new ATOM 0 HA THR A 26 -1.353 -15.324 6.971 1.00 0.00 H new ATOM 0 HB THR A 26 -0.072 -14.451 8.874 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.276 -15.073 8.800 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.919 -16.677 9.529 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.670 -16.868 8.750 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.818 -17.196 7.830 1.00 0.00 H new ATOM 350 N ILE A 27 -1.575 -12.771 6.986 1.00 0.00 N ATOM 351 CA ILE A 27 -1.786 -11.348 6.753 1.00 0.00 C ATOM 352 C ILE A 27 -1.761 -10.584 8.065 1.00 0.00 C ATOM 353 O ILE A 27 -2.097 -11.116 9.126 1.00 0.00 O ATOM 354 CB ILE A 27 -2.998 -11.056 5.835 1.00 0.00 C ATOM 355 CG1 ILE A 27 -4.374 -11.567 6.310 1.00 0.00 C ATOM 356 CG2 ILE A 27 -2.687 -11.641 4.460 1.00 0.00 C ATOM 357 CD1 ILE A 27 -5.499 -11.275 5.282 1.00 0.00 C ATOM 0 H ILE A 27 -2.275 -13.205 7.588 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.948 -10.964 6.172 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.112 -9.972 5.835 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.318 -12.641 6.489 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.624 -11.098 7.262 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.523 -11.452 3.787 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.787 -11.173 4.061 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.529 -12.716 4.549 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.447 -11.654 5.663 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.576 -10.199 5.122 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.265 -11.766 4.337 1.00 0.00 H new ATOM 369 N ALA A 28 -1.308 -9.340 7.971 1.00 0.00 N ATOM 370 CA ALA A 28 -1.125 -8.397 9.048 1.00 0.00 C ATOM 371 C ALA A 28 -1.896 -7.136 8.706 1.00 0.00 C ATOM 372 O ALA A 28 -1.966 -6.710 7.550 1.00 0.00 O ATOM 373 CB ALA A 28 0.358 -8.082 9.236 1.00 0.00 C ATOM 0 H ALA A 28 -1.042 -8.943 7.070 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.495 -8.820 9.982 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.478 -7.369 10.052 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.898 -8.999 9.473 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.758 -7.652 8.318 1.00 0.00 H new ATOM 379 N ASP A 29 -2.470 -6.539 9.739 1.00 0.00 N ATOM 380 CA ASP A 29 -3.393 -5.429 9.616 1.00 0.00 C ATOM 381 C ASP A 29 -2.581 -4.136 9.632 1.00 0.00 C ATOM 382 O ASP A 29 -2.266 -3.569 10.684 1.00 0.00 O ATOM 383 CB ASP A 29 -4.366 -5.533 10.781 1.00 0.00 C ATOM 384 CG ASP A 29 -5.643 -4.719 10.630 1.00 0.00 C ATOM 385 OD1 ASP A 29 -5.885 -4.107 9.563 1.00 0.00 O ATOM 386 OD2 ASP A 29 -6.458 -4.772 11.570 1.00 0.00 O ATOM 0 H ASP A 29 -2.302 -6.821 10.705 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.964 -5.442 8.687 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.635 -6.580 10.917 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.856 -5.214 11.690 1.00 0.00 H new ATOM 391 N SER A 30 -2.131 -3.740 8.455 1.00 0.00 N ATOM 392 CA SER A 30 -1.195 -2.636 8.252 1.00 0.00 C ATOM 393 C SER A 30 -1.910 -1.308 8.555 1.00 0.00 C ATOM 394 O SER A 30 -3.142 -1.258 8.621 1.00 0.00 O ATOM 395 CB SER A 30 -0.595 -2.739 6.830 1.00 0.00 C ATOM 396 OG SER A 30 -1.380 -2.080 5.863 1.00 0.00 O ATOM 0 H SER A 30 -2.413 -4.189 7.583 1.00 0.00 H new ATOM 0 HA SER A 30 -0.350 -2.685 8.939 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.408 -2.312 6.831 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.494 -3.789 6.557 1.00 0.00 H new ATOM 0 HG SER A 30 -2.328 -2.254 6.038 1.00 0.00 H new ATOM 402 N PRO A 31 -1.182 -0.191 8.684 1.00 0.00 N ATOM 403 CA PRO A 31 -1.770 1.139 8.848 1.00 0.00 C ATOM 404 C PRO A 31 -2.465 1.651 7.571 1.00 0.00 C ATOM 405 O PRO A 31 -2.795 2.841 7.487 1.00 0.00 O ATOM 406 CB PRO A 31 -0.596 2.030 9.265 1.00 0.00 C ATOM 407 CG PRO A 31 0.644 1.332 8.709 1.00 0.00 C ATOM 408 CD PRO A 31 0.268 -0.135 8.679 1.00 0.00 C ATOM 0 HA PRO A 31 -2.568 1.133 9.591 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.699 3.036 8.858 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.541 2.129 10.349 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.894 1.699 7.713 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.515 1.506 9.341 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.672 -0.620 7.790 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.679 -0.658 9.542 1.00 0.00 H new ATOM 416 N THR A 32 -2.630 0.801 6.556 1.00 0.00 N ATOM 417 CA THR A 32 -2.723 1.187 5.155 1.00 0.00 C ATOM 418 C THR A 32 -3.630 0.287 4.309 1.00 0.00 C ATOM 419 O THR A 32 -3.754 0.557 3.116 1.00 0.00 O ATOM 420 CB THR A 32 -1.290 1.194 4.568 1.00 0.00 C ATOM 421 OG1 THR A 32 -0.384 0.335 5.252 1.00 0.00 O ATOM 422 CG2 THR A 32 -0.689 2.585 4.688 1.00 0.00 C ATOM 0 H THR A 32 -2.704 -0.207 6.696 1.00 0.00 H new ATOM 0 HA THR A 32 -3.185 2.173 5.119 1.00 0.00 H new ATOM 0 HB THR A 32 -1.407 0.857 3.538 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.707 -0.589 5.201 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.319 2.583 4.273 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.306 3.296 4.139 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.649 2.875 5.738 1.00 0.00 H new ATOM 430 N GLY A 33 -4.202 -0.775 4.882 1.00 0.00 N ATOM 431 CA GLY A 33 -4.858 -1.864 4.167 1.00 0.00 C ATOM 432 C GLY A 33 -4.348 -3.179 4.740 1.00 0.00 C ATOM 433 O GLY A 33 -3.662 -3.186 5.770 1.00 0.00 O ATOM 0 H GLY A 33 -4.220 -0.901 5.894 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.940 -1.795 4.277 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.642 -1.804 3.100 1.00 0.00 H new ATOM 437 N GLN A 34 -4.636 -4.305 4.104 1.00 0.00 N ATOM 438 CA GLN A 34 -4.089 -5.579 4.540 1.00 0.00 C ATOM 439 C GLN A 34 -2.734 -5.795 3.878 1.00 0.00 C ATOM 440 O GLN A 34 -2.544 -5.448 2.711 1.00 0.00 O ATOM 441 CB GLN A 34 -5.077 -6.704 4.229 1.00 0.00 C ATOM 442 CG GLN A 34 -6.481 -6.518 4.843 1.00 0.00 C ATOM 443 CD GLN A 34 -6.611 -5.517 5.997 1.00 0.00 C ATOM 444 OE1 GLN A 34 -7.239 -4.477 5.891 1.00 0.00 O ATOM 445 NE2 GLN A 34 -6.011 -5.788 7.139 1.00 0.00 N ATOM 0 H GLN A 34 -5.244 -4.361 3.287 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.936 -5.578 5.619 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.177 -6.792 3.147 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.660 -7.645 4.588 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.160 -6.208 4.048 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.827 -7.489 5.197 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.482 -6.654 7.244 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.076 -5.132 7.917 1.00 0.00 H new ATOM 454 N ARG A 35 -1.789 -6.373 4.623 1.00 0.00 N ATOM 455 CA ARG A 35 -0.473 -6.736 4.113 1.00 0.00 C ATOM 456 C ARG A 35 -0.193 -8.195 4.336 1.00 0.00 C ATOM 457 O ARG A 35 -0.774 -8.820 5.224 1.00 0.00 O ATOM 458 CB ARG A 35 0.640 -5.936 4.802 1.00 0.00 C ATOM 459 CG ARG A 35 0.818 -4.585 4.130 1.00 0.00 C ATOM 460 CD ARG A 35 2.202 -4.029 4.435 1.00 0.00 C ATOM 461 NE ARG A 35 2.354 -3.437 5.774 1.00 0.00 N ATOM 462 CZ ARG A 35 3.051 -2.347 6.125 1.00 0.00 C ATOM 463 NH1 ARG A 35 3.698 -1.597 5.243 1.00 0.00 N ATOM 464 NH2 ARG A 35 3.081 -2.016 7.408 1.00 0.00 N ATOM 0 H ARG A 35 -1.922 -6.603 5.608 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.483 -6.510 3.047 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.397 -5.796 5.855 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.575 -6.494 4.763 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.687 -4.686 3.053 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.053 -3.892 4.481 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.932 -4.831 4.324 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.445 -3.272 3.690 1.00 0.00 H new ATOM 0 HE ARG A 35 1.867 -3.917 6.531 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.677 -1.842 4.253 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.216 -0.776 5.555 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.583 -2.585 8.093 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.602 -1.193 7.710 1.00 0.00 H new ATOM 478 N VAL A 36 0.794 -8.685 3.607 1.00 0.00 N ATOM 479 CA VAL A 36 1.305 -10.042 3.724 1.00 0.00 C ATOM 480 C VAL A 36 2.384 -10.001 4.787 1.00 0.00 C ATOM 481 O VAL A 36 3.390 -9.299 4.635 1.00 0.00 O ATOM 482 CB VAL A 36 1.810 -10.546 2.366 1.00 0.00 C ATOM 483 CG1 VAL A 36 2.565 -11.880 2.489 1.00 0.00 C ATOM 484 CG2 VAL A 36 0.635 -10.749 1.403 1.00 0.00 C ATOM 0 H VAL A 36 1.277 -8.135 2.896 1.00 0.00 H new ATOM 0 HA VAL A 36 0.531 -10.750 4.020 1.00 0.00 H new ATOM 0 HB VAL A 36 2.494 -9.787 1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.904 -12.198 1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.426 -11.752 3.145 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.901 -12.637 2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.009 -11.107 0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.055 -11.483 1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.114 -9.802 1.259 1.00 0.00 H new ATOM 494 N LYS A 37 2.144 -10.723 5.879 1.00 0.00 N ATOM 495 CA LYS A 37 3.071 -10.898 6.981 1.00 0.00 C ATOM 496 C LYS A 37 4.241 -11.761 6.500 1.00 0.00 C ATOM 497 O LYS A 37 5.354 -11.252 6.385 1.00 0.00 O ATOM 498 CB LYS A 37 2.283 -11.475 8.172 1.00 0.00 C ATOM 499 CG LYS A 37 3.165 -11.897 9.353 1.00 0.00 C ATOM 500 CD LYS A 37 2.366 -12.501 10.514 1.00 0.00 C ATOM 501 CE LYS A 37 3.330 -12.725 11.682 1.00 0.00 C ATOM 502 NZ LYS A 37 2.659 -13.246 12.888 1.00 0.00 N ATOM 0 H LYS A 37 1.264 -11.219 6.020 1.00 0.00 H new ATOM 0 HA LYS A 37 3.513 -9.963 7.325 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.565 -10.730 8.515 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.710 -12.338 7.832 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.900 -12.624 9.008 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.719 -11.030 9.713 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.557 -11.832 10.809 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.907 -13.442 10.212 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.109 -13.423 11.375 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.824 -11.784 11.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.359 -13.378 13.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.934 -12.570 13.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.210 -14.158 12.669 1.00 0.00 H new ATOM 516 N GLN A 38 4.002 -13.043 6.226 1.00 0.00 N ATOM 517 CA GLN A 38 5.019 -14.049 5.921 1.00 0.00 C ATOM 518 C GLN A 38 4.388 -15.054 4.951 1.00 0.00 C ATOM 519 O GLN A 38 3.166 -15.197 4.977 1.00 0.00 O ATOM 520 CB GLN A 38 5.430 -14.698 7.261 1.00 0.00 C ATOM 521 CG GLN A 38 6.600 -15.691 7.157 1.00 0.00 C ATOM 522 CD GLN A 38 7.618 -15.546 8.295 1.00 0.00 C ATOM 523 OE1 GLN A 38 8.294 -14.523 8.420 1.00 0.00 O ATOM 524 NE2 GLN A 38 7.804 -16.571 9.112 1.00 0.00 N ATOM 0 H GLN A 38 3.056 -13.425 6.210 1.00 0.00 H new ATOM 0 HA GLN A 38 5.912 -13.637 5.450 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.700 -13.910 7.964 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.567 -15.216 7.679 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.207 -16.708 7.157 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.108 -15.546 6.203 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.243 -17.416 9.006 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.508 -16.516 9.848 1.00 0.00 H new ATOM 533 N ILE A 39 5.168 -15.762 4.125 1.00 0.00 N ATOM 534 CA ILE A 39 4.682 -16.656 3.069 1.00 0.00 C ATOM 535 C ILE A 39 5.214 -18.066 3.352 1.00 0.00 C ATOM 536 O ILE A 39 6.409 -18.335 3.233 1.00 0.00 O ATOM 537 CB ILE A 39 5.039 -16.113 1.660 1.00 0.00 C ATOM 538 CG1 ILE A 39 4.437 -14.702 1.453 1.00 0.00 C ATOM 539 CG2 ILE A 39 4.504 -17.070 0.576 1.00 0.00 C ATOM 540 CD1 ILE A 39 4.748 -14.032 0.109 1.00 0.00 C ATOM 0 H ILE A 39 6.186 -15.727 4.175 1.00 0.00 H new ATOM 0 HA ILE A 39 3.593 -16.704 3.073 1.00 0.00 H new ATOM 0 HB ILE A 39 6.124 -16.047 1.580 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.355 -14.770 1.561 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.797 -14.054 2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.759 -16.682 -0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.954 -18.054 0.706 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.421 -17.151 0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.277 -13.050 0.074 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.827 -13.921 -0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.362 -14.649 -0.703 1.00 0.00 H new ATOM 552 N LEU A 40 4.321 -18.964 3.781 1.00 0.00 N ATOM 553 CA LEU A 40 4.677 -20.305 4.253 1.00 0.00 C ATOM 554 C LEU A 40 4.521 -21.318 3.116 1.00 0.00 C ATOM 555 O LEU A 40 5.434 -22.083 2.794 1.00 0.00 O ATOM 556 CB LEU A 40 3.806 -20.707 5.465 1.00 0.00 C ATOM 557 CG LEU A 40 3.633 -19.623 6.549 1.00 0.00 C ATOM 558 CD1 LEU A 40 2.690 -20.115 7.651 1.00 0.00 C ATOM 559 CD2 LEU A 40 4.962 -19.189 7.169 1.00 0.00 C ATOM 0 H LEU A 40 3.319 -18.777 3.810 1.00 0.00 H new ATOM 0 HA LEU A 40 5.718 -20.297 4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.819 -20.993 5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.244 -21.591 5.927 1.00 0.00 H new ATOM 0 HG LEU A 40 3.203 -18.753 6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.579 -19.339 8.408 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.715 -20.344 7.220 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.104 -21.013 8.110 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.779 -18.425 7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.445 -20.049 7.632 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.610 -18.783 6.393 1.00 0.00 H new ATOM 571 N ASP A 41 3.339 -21.341 2.499 1.00 0.00 N ATOM 572 CA ASP A 41 3.052 -22.159 1.327 1.00 0.00 C ATOM 573 C ASP A 41 3.416 -21.323 0.110 1.00 0.00 C ATOM 574 O ASP A 41 2.548 -20.760 -0.559 1.00 0.00 O ATOM 575 CB ASP A 41 1.588 -22.618 1.326 1.00 0.00 C ATOM 576 CG ASP A 41 1.183 -23.328 0.035 1.00 0.00 C ATOM 577 OD1 ASP A 41 2.053 -23.846 -0.699 1.00 0.00 O ATOM 578 OD2 ASP A 41 -0.043 -23.408 -0.210 1.00 0.00 O ATOM 0 H ASP A 41 2.543 -20.782 2.807 1.00 0.00 H new ATOM 0 HA ASP A 41 3.638 -23.078 1.324 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.423 -23.289 2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.942 -21.753 1.476 1.00 0.00 H new ATOM 583 N ILE A 42 4.721 -21.190 -0.123 1.00 0.00 N ATOM 584 CA ILE A 42 5.294 -20.441 -1.233 1.00 0.00 C ATOM 585 C ILE A 42 4.633 -20.876 -2.536 1.00 0.00 C ATOM 586 O ILE A 42 4.197 -20.030 -3.317 1.00 0.00 O ATOM 587 CB ILE A 42 6.830 -20.628 -1.217 1.00 0.00 C ATOM 588 CG1 ILE A 42 7.415 -19.695 -0.136 1.00 0.00 C ATOM 589 CG2 ILE A 42 7.488 -20.398 -2.592 1.00 0.00 C ATOM 590 CD1 ILE A 42 8.826 -20.092 0.286 1.00 0.00 C ATOM 0 H ILE A 42 5.428 -21.615 0.476 1.00 0.00 H new ATOM 0 HA ILE A 42 5.102 -19.372 -1.137 1.00 0.00 H new ATOM 0 HB ILE A 42 7.052 -21.668 -0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.428 -18.672 -0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.763 -19.705 0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.565 -20.545 -2.509 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.080 -21.105 -3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.286 -19.381 -2.927 1.00 0.00 H new ATOM 0 HD11 ILE A 42 9.186 -19.401 1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.813 -21.104 0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.488 -20.056 -0.579 1.00 0.00 H new ATOM 602 N GLN A 43 4.549 -22.188 -2.759 1.00 0.00 N ATOM 603 CA GLN A 43 4.089 -22.735 -4.019 1.00 0.00 C ATOM 604 C GLN A 43 2.633 -22.360 -4.297 1.00 0.00 C ATOM 605 O GLN A 43 2.301 -22.024 -5.435 1.00 0.00 O ATOM 606 CB GLN A 43 4.352 -24.249 -4.061 1.00 0.00 C ATOM 607 CG GLN A 43 5.372 -24.599 -5.163 1.00 0.00 C ATOM 608 CD GLN A 43 4.749 -24.726 -6.556 1.00 0.00 C ATOM 609 OE1 GLN A 43 3.535 -24.651 -6.733 1.00 0.00 O ATOM 610 NE2 GLN A 43 5.557 -24.926 -7.583 1.00 0.00 N ATOM 0 H GLN A 43 4.800 -22.894 -2.067 1.00 0.00 H new ATOM 0 HA GLN A 43 4.660 -22.289 -4.833 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.726 -24.584 -3.094 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.417 -24.780 -4.243 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.145 -23.831 -5.188 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.864 -25.538 -4.907 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.564 -24.988 -7.435 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.173 -25.018 -8.524 1.00 0.00 H new ATOM 619 N GLY A 44 1.783 -22.337 -3.271 1.00 0.00 N ATOM 620 CA GLY A 44 0.395 -21.927 -3.400 1.00 0.00 C ATOM 621 C GLY A 44 0.216 -20.424 -3.621 1.00 0.00 C ATOM 622 O GLY A 44 -0.911 -19.974 -3.826 1.00 0.00 O ATOM 0 H GLY A 44 2.045 -22.605 -2.322 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.057 -22.464 -4.234 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.146 -22.220 -2.500 1.00 0.00 H new ATOM 626 N CYS A 45 1.274 -19.607 -3.577 1.00 0.00 N ATOM 627 CA CYS A 45 1.173 -18.183 -3.877 1.00 0.00 C ATOM 628 C CYS A 45 2.276 -17.788 -4.876 1.00 0.00 C ATOM 629 O CYS A 45 3.243 -17.133 -4.487 1.00 0.00 O ATOM 630 CB CYS A 45 1.126 -17.338 -2.589 1.00 0.00 C ATOM 631 SG CYS A 45 -0.184 -17.976 -1.511 1.00 0.00 S ATOM 0 H CYS A 45 2.215 -19.915 -3.334 1.00 0.00 H new ATOM 0 HA CYS A 45 0.225 -17.968 -4.370 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.088 -17.378 -2.077 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.938 -16.292 -2.832 1.00 0.00 H new ATOM 0 HG CYS A 45 -0.603 -17.026 -0.729 1.00 0.00 H new ATOM 637 N PRO A 46 2.179 -18.191 -6.154 1.00 0.00 N ATOM 638 CA PRO A 46 3.227 -17.961 -7.141 1.00 0.00 C ATOM 639 C PRO A 46 3.426 -16.466 -7.396 1.00 0.00 C ATOM 640 O PRO A 46 2.462 -15.741 -7.645 1.00 0.00 O ATOM 641 CB PRO A 46 2.757 -18.690 -8.404 1.00 0.00 C ATOM 642 CG PRO A 46 1.244 -18.763 -8.264 1.00 0.00 C ATOM 643 CD PRO A 46 1.076 -18.924 -6.758 1.00 0.00 C ATOM 0 HA PRO A 46 4.194 -18.332 -6.802 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.046 -18.149 -9.305 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.197 -19.685 -8.475 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.755 -17.862 -8.636 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.823 -19.604 -8.814 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.116 -18.528 -6.427 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.102 -19.975 -6.472 1.00 0.00 H new ATOM 651 N GLY A 47 4.665 -15.983 -7.323 1.00 0.00 N ATOM 652 CA GLY A 47 5.006 -14.576 -7.512 1.00 0.00 C ATOM 653 C GLY A 47 4.742 -13.699 -6.283 1.00 0.00 C ATOM 654 O GLY A 47 5.145 -12.532 -6.290 1.00 0.00 O ATOM 0 H GLY A 47 5.475 -16.571 -7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.060 -14.501 -7.779 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.435 -14.185 -8.354 1.00 0.00 H new ATOM 658 N LEU A 48 4.098 -14.227 -5.236 1.00 0.00 N ATOM 659 CA LEU A 48 3.725 -13.468 -4.042 1.00 0.00 C ATOM 660 C LEU A 48 4.992 -12.938 -3.364 1.00 0.00 C ATOM 661 O LEU A 48 6.036 -13.596 -3.403 1.00 0.00 O ATOM 662 CB LEU A 48 2.907 -14.382 -3.108 1.00 0.00 C ATOM 663 CG LEU A 48 1.866 -13.745 -2.154 1.00 0.00 C ATOM 664 CD1 LEU A 48 1.519 -14.559 -0.891 1.00 0.00 C ATOM 665 CD2 LEU A 48 2.006 -12.278 -1.786 1.00 0.00 C ATOM 0 H LEU A 48 3.818 -15.207 -5.196 1.00 0.00 H new ATOM 0 HA LEU A 48 3.106 -12.609 -4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.382 -15.104 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.613 -14.943 -2.496 1.00 0.00 H new ATOM 0 HG LEU A 48 1.026 -13.787 -2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.782 -14.016 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.110 -15.526 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.420 -14.711 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.198 -11.993 -1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.964 -12.117 -1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.957 -11.670 -2.689 1.00 0.00 H new ATOM 677 N CYS A 49 4.918 -11.765 -2.738 1.00 0.00 N ATOM 678 CA CYS A 49 6.010 -11.125 -2.017 1.00 0.00 C ATOM 679 C CYS A 49 5.428 -10.546 -0.735 1.00 0.00 C ATOM 680 O CYS A 49 4.314 -10.018 -0.762 1.00 0.00 O ATOM 681 CB CYS A 49 6.581 -9.969 -2.843 1.00 0.00 C ATOM 682 SG CYS A 49 7.176 -10.503 -4.468 1.00 0.00 S ATOM 0 H CYS A 49 4.060 -11.214 -2.720 1.00 0.00 H new ATOM 0 HA CYS A 49 6.800 -11.849 -1.817 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.813 -9.207 -2.974 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.401 -9.505 -2.294 1.00 0.00 H new ATOM 0 HG CYS A 49 6.277 -11.252 -5.035 1.00 0.00 H new ATOM 688 N GLU A 50 6.159 -10.622 0.375 1.00 0.00 N ATOM 689 CA GLU A 50 5.687 -10.038 1.625 1.00 0.00 C ATOM 690 C GLU A 50 5.608 -8.514 1.488 1.00 0.00 C ATOM 691 O GLU A 50 6.306 -7.929 0.655 1.00 0.00 O ATOM 692 CB GLU A 50 6.562 -10.421 2.831 1.00 0.00 C ATOM 693 CG GLU A 50 7.106 -11.858 2.861 1.00 0.00 C ATOM 694 CD GLU A 50 8.408 -11.981 2.066 1.00 0.00 C ATOM 695 OE1 GLU A 50 9.466 -11.590 2.617 1.00 0.00 O ATOM 696 OE2 GLU A 50 8.361 -12.386 0.879 1.00 0.00 O ATOM 0 H GLU A 50 7.070 -11.077 0.433 1.00 0.00 H new ATOM 0 HA GLU A 50 4.694 -10.445 1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.409 -9.736 2.868 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.981 -10.258 3.738 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.279 -12.161 3.894 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.361 -12.539 2.449 1.00 0.00 H new ATOM 703 N GLY A 51 4.808 -7.850 2.328 1.00 0.00 N ATOM 704 CA GLY A 51 4.618 -6.404 2.240 1.00 0.00 C ATOM 705 C GLY A 51 4.218 -5.970 0.828 1.00 0.00 C ATOM 706 O GLY A 51 4.796 -5.036 0.264 1.00 0.00 O ATOM 0 H GLY A 51 4.281 -8.296 3.079 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.849 -6.094 2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.539 -5.898 2.529 1.00 0.00 H new ATOM 710 N ASP A 52 3.244 -6.679 0.267 1.00 0.00 N ATOM 711 CA ASP A 52 2.296 -6.229 -0.746 1.00 0.00 C ATOM 712 C ASP A 52 1.402 -5.115 -0.160 1.00 0.00 C ATOM 713 O ASP A 52 1.793 -4.429 0.789 1.00 0.00 O ATOM 714 CB ASP A 52 1.470 -7.457 -1.171 1.00 0.00 C ATOM 715 CG ASP A 52 0.417 -7.808 -0.118 1.00 0.00 C ATOM 716 OD1 ASP A 52 0.722 -7.651 1.088 1.00 0.00 O ATOM 717 OD2 ASP A 52 -0.675 -8.232 -0.541 1.00 0.00 O ATOM 0 H ASP A 52 3.085 -7.652 0.527 1.00 0.00 H new ATOM 0 HA ASP A 52 2.803 -5.810 -1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.982 -7.257 -2.125 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.133 -8.309 -1.324 1.00 0.00 H new ATOM 722 N LEU A 53 0.233 -4.857 -0.755 1.00 0.00 N ATOM 723 CA LEU A 53 -0.877 -4.160 -0.110 1.00 0.00 C ATOM 724 C LEU A 53 -2.133 -4.631 -0.842 1.00 0.00 C ATOM 725 O LEU A 53 -2.235 -4.342 -2.030 1.00 0.00 O ATOM 726 CB LEU A 53 -0.676 -2.637 -0.248 1.00 0.00 C ATOM 727 CG LEU A 53 -1.368 -1.742 0.789 1.00 0.00 C ATOM 728 CD1 LEU A 53 -2.886 -1.701 0.655 1.00 0.00 C ATOM 729 CD2 LEU A 53 -0.995 -2.103 2.231 1.00 0.00 C ATOM 0 H LEU A 53 0.031 -5.133 -1.716 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.949 -4.373 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.394 -2.433 -0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.023 -2.339 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.988 -0.745 0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.302 -1.048 1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.154 -1.319 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.289 -2.706 0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.515 -1.436 2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.286 -3.133 2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.081 -1.996 2.366 1.00 0.00 H new ATOM 741 N ILE A 54 -3.019 -5.423 -0.237 1.00 0.00 N ATOM 742 CA ILE A 54 -4.126 -6.051 -0.974 1.00 0.00 C ATOM 743 C ILE A 54 -5.141 -4.966 -1.380 1.00 0.00 C ATOM 744 O ILE A 54 -5.512 -4.128 -0.557 1.00 0.00 O ATOM 745 CB ILE A 54 -4.784 -7.200 -0.163 1.00 0.00 C ATOM 746 CG1 ILE A 54 -3.730 -8.200 0.369 1.00 0.00 C ATOM 747 CG2 ILE A 54 -5.784 -7.963 -1.058 1.00 0.00 C ATOM 748 CD1 ILE A 54 -4.282 -9.345 1.226 1.00 0.00 C ATOM 0 H ILE A 54 -2.996 -5.647 0.758 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.733 -6.517 -1.878 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.297 -6.751 0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.199 -8.629 -0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.996 -7.649 0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.244 -8.769 -0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.557 -7.278 -1.406 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.258 -8.382 -1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.462 -9.987 1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.786 -8.934 2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.992 -9.929 0.640 1.00 0.00 H new ATOM 760 N VAL A 55 -5.610 -4.993 -2.633 1.00 0.00 N ATOM 761 CA VAL A 55 -6.565 -4.032 -3.189 1.00 0.00 C ATOM 762 C VAL A 55 -7.855 -4.740 -3.595 1.00 0.00 C ATOM 763 O VAL A 55 -8.937 -4.308 -3.193 1.00 0.00 O ATOM 764 CB VAL A 55 -5.931 -3.254 -4.366 1.00 0.00 C ATOM 765 CG1 VAL A 55 -6.909 -2.283 -5.050 1.00 0.00 C ATOM 766 CG2 VAL A 55 -4.711 -2.459 -3.881 1.00 0.00 C ATOM 0 H VAL A 55 -5.326 -5.705 -3.306 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.822 -3.301 -2.422 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.640 -4.005 -5.101 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.401 -1.770 -5.866 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.759 -2.840 -5.445 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.261 -1.550 -4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.274 -1.916 -4.719 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.020 -1.751 -3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.971 -3.144 -3.467 1.00 0.00 H new ATOM 776 N GLU A 56 -7.759 -5.830 -4.360 1.00 0.00 N ATOM 777 CA GLU A 56 -8.912 -6.621 -4.780 1.00 0.00 C ATOM 778 C GLU A 56 -8.615 -8.098 -4.572 1.00 0.00 C ATOM 779 O GLU A 56 -7.459 -8.514 -4.690 1.00 0.00 O ATOM 780 CB GLU A 56 -9.262 -6.370 -6.256 1.00 0.00 C ATOM 781 CG GLU A 56 -10.001 -5.058 -6.471 1.00 0.00 C ATOM 782 CD GLU A 56 -10.360 -4.788 -7.931 1.00 0.00 C ATOM 783 OE1 GLU A 56 -11.140 -5.562 -8.532 1.00 0.00 O ATOM 784 OE2 GLU A 56 -9.917 -3.726 -8.431 1.00 0.00 O ATOM 0 H GLU A 56 -6.870 -6.189 -4.707 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.767 -6.320 -4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.346 -6.367 -6.847 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.876 -7.192 -6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.915 -5.064 -5.877 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.385 -4.239 -6.100 1.00 0.00 H new ATOM 791 N ILE A 57 -9.670 -8.879 -4.325 1.00 0.00 N ATOM 792 CA ILE A 57 -9.660 -10.331 -4.381 1.00 0.00 C ATOM 793 C ILE A 57 -10.761 -10.754 -5.355 1.00 0.00 C ATOM 794 O ILE A 57 -11.927 -10.380 -5.193 1.00 0.00 O ATOM 795 CB ILE A 57 -9.833 -10.962 -2.984 1.00 0.00 C ATOM 796 CG1 ILE A 57 -8.609 -10.667 -2.093 1.00 0.00 C ATOM 797 CG2 ILE A 57 -10.003 -12.490 -3.125 1.00 0.00 C ATOM 798 CD1 ILE A 57 -8.907 -10.828 -0.605 1.00 0.00 C ATOM 0 H ILE A 57 -10.582 -8.498 -4.073 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.694 -10.692 -4.735 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.718 -10.529 -2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.794 -11.336 -2.370 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.265 -9.650 -2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.125 -12.935 -2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.884 -12.704 -3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -9.120 -12.911 -3.606 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.009 -10.608 -0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.702 -10.140 -0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -9.224 -11.852 -0.406 1.00 0.00 H new ATOM 810 N ASN A 58 -10.381 -11.581 -6.328 1.00 0.00 N ATOM 811 CA ASN A 58 -11.149 -12.225 -7.399 1.00 0.00 C ATOM 812 C ASN A 58 -11.749 -11.284 -8.444 1.00 0.00 C ATOM 813 O ASN A 58 -11.776 -11.677 -9.610 1.00 0.00 O ATOM 814 CB ASN A 58 -12.210 -13.223 -6.865 1.00 0.00 C ATOM 815 CG ASN A 58 -11.717 -14.666 -6.835 1.00 0.00 C ATOM 816 OD1 ASN A 58 -10.867 -15.056 -7.635 1.00 0.00 O ATOM 817 ND2 ASN A 58 -12.213 -15.504 -5.945 1.00 0.00 N ATOM 0 H ASN A 58 -9.400 -11.851 -6.394 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.388 -12.791 -7.937 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.505 -12.926 -5.859 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.102 -13.164 -7.489 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.892 -16.472 -5.921 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.918 -15.184 -5.280 1.00 0.00 H new ATOM 824 N GLN A 59 -12.216 -10.103 -8.032 1.00 0.00 N ATOM 825 CA GLN A 59 -12.976 -9.072 -8.745 1.00 0.00 C ATOM 826 C GLN A 59 -13.673 -8.082 -7.789 1.00 0.00 C ATOM 827 O GLN A 59 -14.215 -7.072 -8.238 1.00 0.00 O ATOM 828 CB GLN A 59 -13.898 -9.589 -9.851 1.00 0.00 C ATOM 829 CG GLN A 59 -14.884 -10.595 -9.314 1.00 0.00 C ATOM 830 CD GLN A 59 -15.891 -11.075 -10.359 1.00 0.00 C ATOM 831 OE1 GLN A 59 -15.907 -10.646 -11.516 1.00 0.00 O ATOM 832 NE2 GLN A 59 -16.759 -12.002 -9.997 1.00 0.00 N ATOM 0 H GLN A 59 -12.049 -9.810 -7.069 1.00 0.00 H new ATOM 0 HA GLN A 59 -12.218 -8.507 -9.287 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -14.435 -8.754 -10.300 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.302 -10.046 -10.641 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -14.339 -11.454 -8.924 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -15.424 -10.153 -8.477 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -16.752 -12.362 -9.043 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -17.436 -12.358 -10.672 1.00 0.00 H new ATOM 841 N GLN A 60 -13.660 -8.325 -6.473 1.00 0.00 N ATOM 842 CA GLN A 60 -14.223 -7.428 -5.472 1.00 0.00 C ATOM 843 C GLN A 60 -13.101 -6.607 -4.833 1.00 0.00 C ATOM 844 O GLN A 60 -12.018 -7.140 -4.578 1.00 0.00 O ATOM 845 CB GLN A 60 -15.019 -8.262 -4.450 1.00 0.00 C ATOM 846 CG GLN A 60 -15.107 -7.638 -3.049 1.00 0.00 C ATOM 847 CD GLN A 60 -16.117 -8.334 -2.148 1.00 0.00 C ATOM 848 OE1 GLN A 60 -17.085 -7.721 -1.707 1.00 0.00 O ATOM 849 NE2 GLN A 60 -15.952 -9.620 -1.880 1.00 0.00 N ATOM 0 H GLN A 60 -13.249 -9.168 -6.072 1.00 0.00 H new ATOM 0 HA GLN A 60 -14.914 -6.717 -5.924 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -16.029 -8.413 -4.831 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -14.559 -9.247 -4.367 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -14.124 -7.674 -2.579 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -15.377 -6.586 -3.143 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.144 -10.119 -2.252 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.633 -10.112 -1.302 1.00 0.00 H new ATOM 858 N ASN A 61 -13.378 -5.331 -4.544 1.00 0.00 N ATOM 859 CA ASN A 61 -12.507 -4.441 -3.781 1.00 0.00 C ATOM 860 C ASN A 61 -12.517 -4.825 -2.305 1.00 0.00 C ATOM 861 O ASN A 61 -13.559 -5.140 -1.737 1.00 0.00 O ATOM 862 CB ASN A 61 -12.924 -2.980 -3.977 1.00 0.00 C ATOM 863 CG ASN A 61 -11.868 -2.050 -3.395 1.00 0.00 C ATOM 864 OD1 ASN A 61 -11.794 -1.852 -2.186 1.00 0.00 O ATOM 865 ND2 ASN A 61 -11.006 -1.470 -4.210 1.00 0.00 N ATOM 0 H ASN A 61 -14.241 -4.879 -4.845 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.487 -4.549 -4.151 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.058 -2.771 -5.038 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.884 -2.800 -3.493 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.281 -0.859 -3.834 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.065 -1.633 -5.215 1.00 0.00 H new ATOM 872 N VAL A 62 -11.337 -4.811 -1.694 1.00 0.00 N ATOM 873 CA VAL A 62 -11.056 -5.212 -0.321 1.00 0.00 C ATOM 874 C VAL A 62 -10.038 -4.208 0.284 1.00 0.00 C ATOM 875 O VAL A 62 -9.343 -4.528 1.248 1.00 0.00 O ATOM 876 CB VAL A 62 -10.557 -6.681 -0.331 1.00 0.00 C ATOM 877 CG1 VAL A 62 -11.452 -7.663 -1.118 1.00 0.00 C ATOM 878 CG2 VAL A 62 -9.164 -6.851 -0.950 1.00 0.00 C ATOM 0 H VAL A 62 -10.495 -4.498 -2.178 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.944 -5.184 0.311 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.565 -6.916 0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.024 -8.664 -1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.451 -7.674 -0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -11.513 -7.345 -2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.880 -7.903 -0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.181 -6.506 -1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.440 -6.265 -0.383 1.00 0.00 H new ATOM 888 N GLN A 63 -9.891 -3.002 -0.289 1.00 0.00 N ATOM 889 CA GLN A 63 -9.100 -1.935 0.324 1.00 0.00 C ATOM 890 C GLN A 63 -9.799 -1.424 1.584 1.00 0.00 C ATOM 891 O GLN A 63 -9.231 -1.461 2.670 1.00 0.00 O ATOM 892 CB GLN A 63 -8.864 -0.765 -0.642 1.00 0.00 C ATOM 893 CG GLN A 63 -7.623 -0.966 -1.506 1.00 0.00 C ATOM 894 CD GLN A 63 -6.949 0.357 -1.862 1.00 0.00 C ATOM 895 OE1 GLN A 63 -7.388 1.083 -2.751 1.00 0.00 O ATOM 896 NE2 GLN A 63 -5.883 0.707 -1.165 1.00 0.00 N ATOM 0 H GLN A 63 -10.314 -2.746 -1.181 1.00 0.00 H new ATOM 0 HA GLN A 63 -8.129 -2.357 0.582 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.736 -0.647 -1.285 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -8.761 0.158 -0.072 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.914 -1.603 -0.978 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.900 -1.489 -2.421 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.530 0.094 -0.430 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.413 1.590 -1.362 1.00 0.00 H new ATOM 905 N ASN A 64 -11.038 -0.939 1.443 1.00 0.00 N ATOM 906 CA ASN A 64 -11.812 -0.368 2.552 1.00 0.00 C ATOM 907 C ASN A 64 -12.193 -1.432 3.578 1.00 0.00 C ATOM 908 O ASN A 64 -12.558 -1.097 4.706 1.00 0.00 O ATOM 909 CB ASN A 64 -13.109 0.261 2.017 1.00 0.00 C ATOM 910 CG ASN A 64 -12.960 1.697 1.543 1.00 0.00 C ATOM 911 OD1 ASN A 64 -11.862 2.221 1.383 1.00 0.00 O ATOM 912 ND2 ASN A 64 -14.060 2.377 1.273 1.00 0.00 N ATOM 0 H ASN A 64 -11.535 -0.931 0.552 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.184 0.383 3.031 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -13.479 -0.345 1.190 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -13.866 0.226 2.801 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.996 3.336 0.932 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -14.973 1.943 1.405 1.00 0.00 H new ATOM 919 N LEU A 65 -12.163 -2.700 3.166 1.00 0.00 N ATOM 920 CA LEU A 65 -12.503 -3.875 3.932 1.00 0.00 C ATOM 921 C LEU A 65 -11.691 -3.969 5.203 1.00 0.00 C ATOM 922 O LEU A 65 -10.478 -3.763 5.204 1.00 0.00 O ATOM 923 CB LEU A 65 -12.271 -5.104 3.039 1.00 0.00 C ATOM 924 CG LEU A 65 -13.556 -5.470 2.292 1.00 0.00 C ATOM 925 CD1 LEU A 65 -14.293 -4.348 1.578 1.00 0.00 C ATOM 926 CD2 LEU A 65 -13.565 -6.771 1.506 1.00 0.00 C ATOM 0 H LEU A 65 -11.878 -2.938 2.216 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.548 -3.821 4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.474 -4.897 2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.944 -5.947 3.647 1.00 0.00 H new ATOM 0 HG LEU A 65 -14.169 -5.683 3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -15.183 -4.749 1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -14.586 -3.587 2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -13.639 -3.903 0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -14.537 -6.901 1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.787 -6.740 0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -13.377 -7.606 2.182 1.00 0.00 H new ATOM 938 N SER A 66 -12.380 -4.335 6.274 1.00 0.00 N ATOM 939 CA SER A 66 -11.763 -4.709 7.534 1.00 0.00 C ATOM 940 C SER A 66 -10.856 -5.930 7.310 1.00 0.00 C ATOM 941 O SER A 66 -11.101 -6.743 6.413 1.00 0.00 O ATOM 942 CB SER A 66 -12.873 -5.033 8.545 1.00 0.00 C ATOM 943 OG SER A 66 -13.934 -4.094 8.468 1.00 0.00 O ATOM 0 H SER A 66 -13.399 -4.381 6.290 1.00 0.00 H new ATOM 0 HA SER A 66 -11.154 -3.893 7.922 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.258 -6.035 8.356 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.459 -5.035 9.553 1.00 0.00 H new ATOM 0 HG SER A 66 -14.626 -4.328 9.122 1.00 0.00 H new ATOM 949 N HIS A 67 -9.862 -6.130 8.177 1.00 0.00 N ATOM 950 CA HIS A 67 -9.009 -7.315 8.182 1.00 0.00 C ATOM 951 C HIS A 67 -9.862 -8.580 8.073 1.00 0.00 C ATOM 952 O HIS A 67 -9.639 -9.406 7.193 1.00 0.00 O ATOM 953 CB HIS A 67 -8.154 -7.288 9.464 1.00 0.00 C ATOM 954 CG HIS A 67 -7.305 -8.507 9.750 1.00 0.00 C ATOM 955 ND1 HIS A 67 -5.964 -8.650 9.463 1.00 0.00 N ATOM 956 CD2 HIS A 67 -7.720 -9.670 10.345 1.00 0.00 C ATOM 957 CE1 HIS A 67 -5.593 -9.898 9.784 1.00 0.00 C ATOM 958 NE2 HIS A 67 -6.617 -10.528 10.380 1.00 0.00 N ATOM 0 H HIS A 67 -9.625 -5.459 8.908 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.341 -7.317 7.321 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -7.495 -6.421 9.414 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -8.821 -7.133 10.312 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.711 -9.883 10.716 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.621 -10.329 9.593 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -6.595 -11.464 10.785 1.00 0.00 H new ATOM 966 N THR A 68 -10.869 -8.695 8.928 1.00 0.00 N ATOM 967 CA THR A 68 -11.811 -9.783 9.058 1.00 0.00 C ATOM 968 C THR A 68 -12.533 -10.067 7.737 1.00 0.00 C ATOM 969 O THR A 68 -12.804 -11.228 7.444 1.00 0.00 O ATOM 970 CB THR A 68 -12.808 -9.378 10.164 1.00 0.00 C ATOM 971 OG1 THR A 68 -12.182 -8.619 11.192 1.00 0.00 O ATOM 972 CG2 THR A 68 -13.464 -10.597 10.793 1.00 0.00 C ATOM 0 H THR A 68 -11.059 -7.958 9.607 1.00 0.00 H new ATOM 0 HA THR A 68 -11.293 -10.706 9.320 1.00 0.00 H new ATOM 0 HB THR A 68 -13.566 -8.763 9.678 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.846 -8.380 11.872 1.00 0.00 H new ATOM 0 HG21 THR A 68 -14.160 -10.276 11.568 1.00 0.00 H new ATOM 0 HG22 THR A 68 -14.004 -11.155 10.028 1.00 0.00 H new ATOM 0 HG23 THR A 68 -12.698 -11.235 11.235 1.00 0.00 H new ATOM 980 N GLU A 69 -12.834 -9.042 6.937 1.00 0.00 N ATOM 981 CA GLU A 69 -13.512 -9.160 5.648 1.00 0.00 C ATOM 982 C GLU A 69 -12.545 -9.838 4.677 1.00 0.00 C ATOM 983 O GLU A 69 -12.889 -10.843 4.061 1.00 0.00 O ATOM 984 CB GLU A 69 -13.940 -7.762 5.142 1.00 0.00 C ATOM 985 CG GLU A 69 -14.883 -7.001 6.085 1.00 0.00 C ATOM 986 CD GLU A 69 -16.353 -7.257 5.768 1.00 0.00 C ATOM 987 OE1 GLU A 69 -16.874 -6.707 4.771 1.00 0.00 O ATOM 988 OE2 GLU A 69 -16.999 -7.982 6.562 1.00 0.00 O ATOM 0 H GLU A 69 -12.605 -8.078 7.178 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.419 -9.758 5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.046 -7.160 4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.429 -7.874 4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.679 -7.296 7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.679 -5.933 6.014 1.00 0.00 H new ATOM 995 N VAL A 70 -11.304 -9.348 4.584 1.00 0.00 N ATOM 996 CA VAL A 70 -10.305 -9.856 3.655 1.00 0.00 C ATOM 997 C VAL A 70 -9.980 -11.309 4.005 1.00 0.00 C ATOM 998 O VAL A 70 -9.847 -12.148 3.116 1.00 0.00 O ATOM 999 CB VAL A 70 -9.081 -8.920 3.730 1.00 0.00 C ATOM 1000 CG1 VAL A 70 -7.917 -9.344 2.834 1.00 0.00 C ATOM 1001 CG2 VAL A 70 -9.479 -7.470 3.400 1.00 0.00 C ATOM 0 H VAL A 70 -10.967 -8.578 5.162 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.664 -9.862 2.626 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.729 -8.990 4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.096 -8.635 2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.579 -10.339 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.245 -9.361 1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.600 -6.829 3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.892 -7.427 2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.227 -7.127 4.114 1.00 0.00 H new ATOM 1011 N VAL A 71 -9.902 -11.627 5.299 1.00 0.00 N ATOM 1012 CA VAL A 71 -9.740 -12.992 5.766 1.00 0.00 C ATOM 1013 C VAL A 71 -10.929 -13.822 5.305 1.00 0.00 C ATOM 1014 O VAL A 71 -10.724 -14.884 4.733 1.00 0.00 O ATOM 1015 CB VAL A 71 -9.580 -13.022 7.301 1.00 0.00 C ATOM 1016 CG1 VAL A 71 -9.504 -14.465 7.821 1.00 0.00 C ATOM 1017 CG2 VAL A 71 -8.277 -12.353 7.703 1.00 0.00 C ATOM 0 H VAL A 71 -9.950 -10.938 6.049 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.833 -13.423 5.341 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.444 -12.507 7.721 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.391 -14.456 8.905 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.418 -14.996 7.556 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.648 -14.969 7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.174 -12.380 8.788 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.440 -12.882 7.246 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.280 -11.317 7.364 1.00 0.00 H new ATOM 1027 N ASP A 72 -12.155 -13.374 5.568 1.00 0.00 N ATOM 1028 CA ASP A 72 -13.335 -14.222 5.337 1.00 0.00 C ATOM 1029 C ASP A 72 -13.558 -14.503 3.856 1.00 0.00 C ATOM 1030 O ASP A 72 -13.943 -15.609 3.483 1.00 0.00 O ATOM 1031 CB ASP A 72 -14.608 -13.704 6.030 1.00 0.00 C ATOM 1032 CG ASP A 72 -15.338 -14.847 6.747 1.00 0.00 C ATOM 1033 OD1 ASP A 72 -15.639 -15.893 6.137 1.00 0.00 O ATOM 1034 OD2 ASP A 72 -15.481 -14.786 7.988 1.00 0.00 O ATOM 0 H ASP A 72 -12.362 -12.445 5.935 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.111 -15.176 5.814 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.347 -12.926 6.747 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -15.270 -13.249 5.293 1.00 0.00 H new ATOM 1039 N ILE A 73 -13.226 -13.543 2.999 1.00 0.00 N ATOM 1040 CA ILE A 73 -13.153 -13.727 1.561 1.00 0.00 C ATOM 1041 C ILE A 73 -12.120 -14.807 1.234 1.00 0.00 C ATOM 1042 O ILE A 73 -12.430 -15.753 0.506 1.00 0.00 O ATOM 1043 CB ILE A 73 -12.845 -12.348 0.951 1.00 0.00 C ATOM 1044 CG1 ILE A 73 -14.128 -11.498 1.037 1.00 0.00 C ATOM 1045 CG2 ILE A 73 -12.348 -12.431 -0.496 1.00 0.00 C ATOM 1046 CD1 ILE A 73 -13.863 -10.003 0.916 1.00 0.00 C ATOM 0 H ILE A 73 -12.996 -12.595 3.296 1.00 0.00 H new ATOM 0 HA ILE A 73 -14.088 -14.086 1.130 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.033 -11.891 1.516 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -14.814 -11.805 0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -14.626 -11.697 1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.148 -11.427 -0.870 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.432 -13.021 -0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.110 -12.904 -1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -14.806 -9.460 0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -13.201 -9.684 1.722 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.392 -9.794 -0.044 1.00 0.00 H new ATOM 1058 N LEU A 74 -10.891 -14.690 1.751 1.00 0.00 N ATOM 1059 CA LEU A 74 -9.852 -15.669 1.463 1.00 0.00 C ATOM 1060 C LEU A 74 -10.237 -17.052 1.998 1.00 0.00 C ATOM 1061 O LEU A 74 -9.932 -18.036 1.327 1.00 0.00 O ATOM 1062 CB LEU A 74 -8.476 -15.225 1.987 1.00 0.00 C ATOM 1063 CG LEU A 74 -7.879 -14.000 1.266 1.00 0.00 C ATOM 1064 CD1 LEU A 74 -6.671 -13.472 2.051 1.00 0.00 C ATOM 1065 CD2 LEU A 74 -7.434 -14.311 -0.170 1.00 0.00 C ATOM 0 H LEU A 74 -10.599 -13.930 2.366 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.766 -15.740 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -8.563 -14.998 3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -7.780 -16.059 1.895 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.670 -13.252 1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.253 -12.606 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.987 -13.181 3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.914 -14.253 2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.022 -13.411 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.672 -15.091 -0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.291 -14.653 -0.751 1.00 0.00 H new ATOM 1077 N LYS A 75 -10.916 -17.188 3.146 1.00 0.00 N ATOM 1078 CA LYS A 75 -11.507 -18.456 3.572 1.00 0.00 C ATOM 1079 C LYS A 75 -12.516 -18.964 2.559 1.00 0.00 C ATOM 1080 O LYS A 75 -12.451 -20.140 2.201 1.00 0.00 O ATOM 1081 CB LYS A 75 -12.198 -18.295 4.926 1.00 0.00 C ATOM 1082 CG LYS A 75 -11.159 -17.966 5.992 1.00 0.00 C ATOM 1083 CD LYS A 75 -11.725 -17.860 7.401 1.00 0.00 C ATOM 1084 CE LYS A 75 -12.829 -16.810 7.526 1.00 0.00 C ATOM 1085 NZ LYS A 75 -13.608 -16.894 8.771 1.00 0.00 N ATOM 0 H LYS A 75 -11.068 -16.421 3.801 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.697 -19.181 3.655 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.944 -17.502 4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.726 -19.212 5.188 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.386 -18.734 5.980 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.676 -17.023 5.734 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.119 -18.831 7.702 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.919 -17.615 8.093 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.381 -15.819 7.458 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.508 -16.911 6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.377 -16.194 8.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.011 -17.848 8.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.987 -16.700 9.583 1.00 0.00 H new ATOM 1099 N ASP A 76 -13.438 -18.119 2.109 1.00 0.00 N ATOM 1100 CA ASP A 76 -14.511 -18.561 1.221 1.00 0.00 C ATOM 1101 C ASP A 76 -13.989 -19.091 -0.112 1.00 0.00 C ATOM 1102 O ASP A 76 -14.549 -20.057 -0.622 1.00 0.00 O ATOM 1103 CB ASP A 76 -15.563 -17.482 0.961 1.00 0.00 C ATOM 1104 CG ASP A 76 -16.737 -18.105 0.195 1.00 0.00 C ATOM 1105 OD1 ASP A 76 -17.304 -19.102 0.709 1.00 0.00 O ATOM 1106 OD2 ASP A 76 -17.134 -17.587 -0.869 1.00 0.00 O ATOM 0 H ASP A 76 -13.465 -17.127 2.343 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.991 -19.378 1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -15.910 -17.059 1.904 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -15.129 -16.664 0.386 1.00 0.00 H new ATOM 1111 N CYS A 77 -12.884 -18.530 -0.620 1.00 0.00 N ATOM 1112 CA CYS A 77 -12.223 -18.984 -1.843 1.00 0.00 C ATOM 1113 C CYS A 77 -12.074 -20.517 -1.826 1.00 0.00 C ATOM 1114 O CYS A 77 -11.519 -21.065 -0.868 1.00 0.00 O ATOM 1115 CB CYS A 77 -10.851 -18.326 -1.959 1.00 0.00 C ATOM 1116 SG CYS A 77 -11.001 -16.530 -2.191 1.00 0.00 S ATOM 0 H CYS A 77 -12.419 -17.734 -0.183 1.00 0.00 H new ATOM 0 HA CYS A 77 -12.830 -18.701 -2.703 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.269 -18.532 -1.061 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.307 -18.759 -2.798 1.00 0.00 H new ATOM 0 HG CYS A 77 -11.605 -16.009 -1.164 1.00 0.00 H new ATOM 1122 N PRO A 78 -12.561 -21.223 -2.852 1.00 0.00 N ATOM 1123 CA PRO A 78 -12.432 -22.662 -2.971 1.00 0.00 C ATOM 1124 C PRO A 78 -10.968 -23.054 -2.956 1.00 0.00 C ATOM 1125 O PRO A 78 -10.068 -22.354 -3.429 1.00 0.00 O ATOM 1126 CB PRO A 78 -13.114 -23.050 -4.283 1.00 0.00 C ATOM 1127 CG PRO A 78 -13.811 -21.779 -4.777 1.00 0.00 C ATOM 1128 CD PRO A 78 -13.141 -20.645 -4.038 1.00 0.00 C ATOM 0 HA PRO A 78 -12.901 -23.185 -2.137 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -12.387 -23.407 -5.012 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.832 -23.856 -4.128 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.702 -21.664 -5.855 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -14.880 -21.809 -4.566 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.376 -20.176 -4.656 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.862 -19.869 -3.780 1.00 0.00 H new ATOM 1136 N ILE A 79 -10.743 -24.206 -2.355 1.00 0.00 N ATOM 1137 CA ILE A 79 -9.444 -24.817 -2.320 1.00 0.00 C ATOM 1138 C ILE A 79 -9.164 -25.350 -3.734 1.00 0.00 C ATOM 1139 O ILE A 79 -10.077 -25.879 -4.368 1.00 0.00 O ATOM 1140 CB ILE A 79 -9.467 -25.875 -1.217 1.00 0.00 C ATOM 1141 CG1 ILE A 79 -9.746 -25.322 0.199 1.00 0.00 C ATOM 1142 CG2 ILE A 79 -8.155 -26.671 -1.236 1.00 0.00 C ATOM 1143 CD1 ILE A 79 -8.597 -24.574 0.871 1.00 0.00 C ATOM 0 H ILE A 79 -11.467 -24.742 -1.876 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.628 -24.138 -2.073 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.312 -26.526 -1.440 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.604 -24.652 0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.034 -26.154 0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.175 -27.424 -0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.040 -27.160 -2.203 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.317 -25.995 -1.070 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.912 -24.234 1.858 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.740 -25.240 0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.318 -23.713 0.263 1.00 0.00 H new ATOM 1155 N GLY A 80 -7.933 -25.205 -4.224 1.00 0.00 N ATOM 1156 CA GLY A 80 -7.515 -25.591 -5.568 1.00 0.00 C ATOM 1157 C GLY A 80 -7.828 -24.529 -6.631 1.00 0.00 C ATOM 1158 O GLY A 80 -7.385 -24.656 -7.775 1.00 0.00 O ATOM 0 H GLY A 80 -7.174 -24.801 -3.675 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.443 -25.787 -5.565 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.009 -26.524 -5.840 1.00 0.00 H new ATOM 1162 N SER A 81 -8.532 -23.450 -6.275 1.00 0.00 N ATOM 1163 CA SER A 81 -8.940 -22.427 -7.218 1.00 0.00 C ATOM 1164 C SER A 81 -7.972 -21.274 -7.109 1.00 0.00 C ATOM 1165 O SER A 81 -7.698 -20.765 -6.015 1.00 0.00 O ATOM 1166 CB SER A 81 -10.379 -21.983 -6.949 1.00 0.00 C ATOM 1167 OG SER A 81 -11.243 -23.081 -7.154 1.00 0.00 O ATOM 0 H SER A 81 -8.832 -23.269 -5.317 1.00 0.00 H new ATOM 0 HA SER A 81 -8.920 -22.821 -8.234 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.475 -21.614 -5.928 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.650 -21.161 -7.612 1.00 0.00 H new ATOM 0 HG SER A 81 -12.173 -22.773 -7.140 1.00 0.00 H new ATOM 1173 N GLU A 82 -7.436 -20.864 -8.254 1.00 0.00 N ATOM 1174 CA GLU A 82 -6.647 -19.663 -8.317 1.00 0.00 C ATOM 1175 C GLU A 82 -7.545 -18.495 -7.925 1.00 0.00 C ATOM 1176 O GLU A 82 -8.709 -18.398 -8.306 1.00 0.00 O ATOM 1177 CB GLU A 82 -6.061 -19.437 -9.719 1.00 0.00 C ATOM 1178 CG GLU A 82 -4.686 -20.037 -9.971 1.00 0.00 C ATOM 1179 CD GLU A 82 -4.678 -21.512 -10.360 1.00 0.00 C ATOM 1180 OE1 GLU A 82 -5.596 -22.275 -9.987 1.00 0.00 O ATOM 1181 OE2 GLU A 82 -3.725 -21.934 -11.048 1.00 0.00 O ATOM 0 H GLU A 82 -7.540 -21.352 -9.143 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.802 -19.750 -7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.755 -19.848 -10.452 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.006 -18.363 -9.900 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.199 -19.467 -10.762 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.083 -19.913 -9.071 1.00 0.00 H new ATOM 1188 N THR A 83 -6.978 -17.585 -7.157 1.00 0.00 N ATOM 1189 CA THR A 83 -7.612 -16.433 -6.559 1.00 0.00 C ATOM 1190 C THR A 83 -6.784 -15.240 -7.043 1.00 0.00 C ATOM 1191 O THR A 83 -5.553 -15.255 -6.956 1.00 0.00 O ATOM 1192 CB THR A 83 -7.632 -16.638 -5.037 1.00 0.00 C ATOM 1193 OG1 THR A 83 -8.255 -17.865 -4.692 1.00 0.00 O ATOM 1194 CG2 THR A 83 -8.387 -15.512 -4.341 1.00 0.00 C ATOM 0 H THR A 83 -5.988 -17.639 -6.919 1.00 0.00 H new ATOM 0 HA THR A 83 -8.653 -16.270 -6.840 1.00 0.00 H new ATOM 0 HB THR A 83 -6.593 -16.646 -4.709 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.541 -17.835 -3.755 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.385 -15.684 -3.265 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.902 -14.560 -4.558 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.415 -15.486 -4.702 1.00 0.00 H new ATOM 1202 N SER A 84 -7.436 -14.250 -7.647 1.00 0.00 N ATOM 1203 CA SER A 84 -6.793 -13.130 -8.310 1.00 0.00 C ATOM 1204 C SER A 84 -6.606 -12.085 -7.230 1.00 0.00 C ATOM 1205 O SER A 84 -7.611 -11.743 -6.606 1.00 0.00 O ATOM 1206 CB SER A 84 -7.728 -12.611 -9.410 1.00 0.00 C ATOM 1207 OG SER A 84 -8.065 -13.662 -10.306 1.00 0.00 O ATOM 0 H SER A 84 -8.454 -14.208 -7.687 1.00 0.00 H new ATOM 0 HA SER A 84 -5.842 -13.393 -8.774 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.633 -12.200 -8.963 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.245 -11.800 -9.955 1.00 0.00 H new ATOM 0 HG SER A 84 -8.663 -13.319 -11.002 1.00 0.00 H new ATOM 1213 N LEU A 85 -5.380 -11.629 -6.965 1.00 0.00 N ATOM 1214 CA LEU A 85 -5.150 -10.604 -5.959 1.00 0.00 C ATOM 1215 C LEU A 85 -4.490 -9.414 -6.637 1.00 0.00 C ATOM 1216 O LEU A 85 -3.344 -9.498 -7.092 1.00 0.00 O ATOM 1217 CB LEU A 85 -4.311 -11.103 -4.766 1.00 0.00 C ATOM 1218 CG LEU A 85 -5.181 -11.485 -3.554 1.00 0.00 C ATOM 1219 CD1 LEU A 85 -5.972 -12.774 -3.800 1.00 0.00 C ATOM 1220 CD2 LEU A 85 -4.316 -11.641 -2.302 1.00 0.00 C ATOM 0 H LEU A 85 -4.536 -11.956 -7.435 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.111 -10.316 -5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.724 -11.968 -5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.605 -10.327 -4.472 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.896 -10.676 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.572 -13.006 -2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.627 -12.640 -4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.280 -13.594 -3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.947 -11.911 -1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.575 -12.424 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.809 -10.700 -2.091 1.00 0.00 H new ATOM 1232 N ILE A 86 -5.212 -8.303 -6.709 1.00 0.00 N ATOM 1233 CA ILE A 86 -4.636 -7.030 -7.117 1.00 0.00 C ATOM 1234 C ILE A 86 -3.928 -6.480 -5.884 1.00 0.00 C ATOM 1235 O ILE A 86 -4.531 -6.474 -4.804 1.00 0.00 O ATOM 1236 CB ILE A 86 -5.720 -6.086 -7.655 1.00 0.00 C ATOM 1237 CG1 ILE A 86 -6.501 -6.810 -8.777 1.00 0.00 C ATOM 1238 CG2 ILE A 86 -5.102 -4.790 -8.183 1.00 0.00 C ATOM 1239 CD1 ILE A 86 -7.353 -5.928 -9.682 1.00 0.00 C ATOM 0 H ILE A 86 -6.207 -8.259 -6.488 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.928 -7.143 -7.938 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.400 -5.821 -6.846 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.786 -7.349 -9.399 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.149 -7.556 -8.317 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.890 -4.138 -8.559 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.568 -4.287 -7.377 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.407 -5.021 -8.990 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.852 -6.547 -10.428 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -8.101 -5.408 -9.084 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.717 -5.198 -10.182 1.00 0.00 H new ATOM 1251 N ILE A 87 -2.675 -6.036 -6.025 1.00 0.00 N ATOM 1252 CA ILE A 87 -1.917 -5.457 -4.926 1.00 0.00 C ATOM 1253 C ILE A 87 -1.364 -4.091 -5.340 1.00 0.00 C ATOM 1254 O ILE A 87 -1.088 -3.839 -6.518 1.00 0.00 O ATOM 1255 CB ILE A 87 -0.855 -6.448 -4.386 1.00 0.00 C ATOM 1256 CG1 ILE A 87 0.370 -6.610 -5.311 1.00 0.00 C ATOM 1257 CG2 ILE A 87 -1.468 -7.829 -4.087 1.00 0.00 C ATOM 1258 CD1 ILE A 87 1.459 -5.559 -5.051 1.00 0.00 C ATOM 0 H ILE A 87 -2.163 -6.071 -6.907 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.576 -5.275 -4.077 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.498 -6.002 -3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.793 -7.605 -5.174 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.046 -6.541 -6.350 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.693 -8.497 -3.710 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.253 -7.724 -3.338 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.892 -8.244 -5.001 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.294 -5.724 -5.731 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.049 -4.562 -5.215 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.808 -5.643 -4.022 1.00 0.00 H new ATOM 1270 N HIS A 88 -1.193 -3.199 -4.364 1.00 0.00 N ATOM 1271 CA HIS A 88 -0.755 -1.835 -4.585 1.00 0.00 C ATOM 1272 C HIS A 88 0.765 -1.801 -4.739 1.00 0.00 C ATOM 1273 O HIS A 88 1.499 -2.114 -3.799 1.00 0.00 O ATOM 1274 CB HIS A 88 -1.282 -0.919 -3.467 1.00 0.00 C ATOM 1275 CG HIS A 88 -1.762 0.445 -3.910 1.00 0.00 C ATOM 1276 ND1 HIS A 88 -2.406 1.369 -3.114 1.00 0.00 N ATOM 1277 CD2 HIS A 88 -1.632 1.005 -5.154 1.00 0.00 C ATOM 1278 CE1 HIS A 88 -2.640 2.460 -3.864 1.00 0.00 C ATOM 1279 NE2 HIS A 88 -2.160 2.293 -5.107 1.00 0.00 N ATOM 0 H HIS A 88 -1.360 -3.416 -3.381 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.173 -1.449 -5.515 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -2.104 -1.427 -2.963 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.491 -0.784 -2.730 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.196 0.530 -6.020 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -3.145 3.349 -3.515 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -2.178 2.974 -5.866 1.00 0.00 H new ATOM 1287 N ARG A 89 1.249 -1.451 -5.931 1.00 0.00 N ATOM 1288 CA ARG A 89 2.657 -1.201 -6.225 1.00 0.00 C ATOM 1289 C ARG A 89 2.724 -0.071 -7.257 1.00 0.00 C ATOM 1290 O ARG A 89 1.673 0.438 -7.659 1.00 0.00 O ATOM 1291 CB ARG A 89 3.317 -2.505 -6.724 1.00 0.00 C ATOM 1292 CG ARG A 89 4.796 -2.636 -6.346 1.00 0.00 C ATOM 1293 CD ARG A 89 4.893 -3.069 -4.882 1.00 0.00 C ATOM 1294 NE ARG A 89 6.279 -3.329 -4.500 1.00 0.00 N ATOM 1295 CZ ARG A 89 6.656 -4.076 -3.456 1.00 0.00 C ATOM 1296 NH1 ARG A 89 5.763 -4.449 -2.537 1.00 0.00 N ATOM 1297 NH2 ARG A 89 7.925 -4.450 -3.351 1.00 0.00 N ATOM 0 H ARG A 89 0.648 -1.330 -6.746 1.00 0.00 H new ATOM 0 HA ARG A 89 3.208 -0.891 -5.337 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.771 -3.356 -6.317 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.223 -2.556 -7.809 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.287 -3.366 -6.989 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.309 -1.686 -6.494 1.00 0.00 H new ATOM 0 HD2 ARG A 89 4.476 -2.292 -4.242 1.00 0.00 H new ATOM 0 HD3 ARG A 89 4.295 -3.967 -4.725 1.00 0.00 H new ATOM 0 HE ARG A 89 7.013 -2.910 -5.071 1.00 0.00 H new ATOM 0 HH11 ARG A 89 4.788 -4.165 -2.629 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.056 -5.019 -1.743 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.600 -4.168 -4.061 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.225 -5.020 -2.560 1.00 0.00 H new ATOM 1311 N GLY A 90 3.925 0.333 -7.662 1.00 0.00 N ATOM 1312 CA GLY A 90 4.131 1.283 -8.743 1.00 0.00 C ATOM 1313 C GLY A 90 4.649 2.616 -8.226 1.00 0.00 C ATOM 1314 O GLY A 90 3.952 3.623 -8.333 1.00 0.00 O ATOM 0 H GLY A 90 4.793 0.003 -7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.840 0.870 -9.461 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.193 1.438 -9.275 1.00 0.00 H new ATOM 1318 N SER A 91 5.854 2.640 -7.652 1.00 0.00 N ATOM 1319 CA SER A 91 6.577 3.853 -7.277 1.00 0.00 C ATOM 1320 C SER A 91 8.068 3.523 -7.302 1.00 0.00 C ATOM 1321 O SER A 91 8.442 2.356 -7.139 1.00 0.00 O ATOM 1322 CB SER A 91 6.160 4.294 -5.863 1.00 0.00 C ATOM 1323 OG SER A 91 6.530 5.619 -5.508 1.00 0.00 O ATOM 0 H SER A 91 6.368 1.788 -7.429 1.00 0.00 H new ATOM 0 HA SER A 91 6.352 4.666 -7.968 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.078 4.200 -5.775 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.599 3.606 -5.141 1.00 0.00 H new ATOM 0 HG SER A 91 6.224 5.811 -4.597 1.00 0.00 H new ATOM 1329 N GLY A 92 8.915 4.541 -7.428 1.00 0.00 N ATOM 1330 CA GLY A 92 10.346 4.412 -7.227 1.00 0.00 C ATOM 1331 C GLY A 92 11.064 5.743 -7.478 1.00 0.00 C ATOM 1332 O GLY A 92 10.468 6.657 -8.054 1.00 0.00 O ATOM 0 H GLY A 92 8.619 5.485 -7.675 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.544 4.075 -6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.743 3.650 -7.898 1.00 0.00 H new ATOM 1336 N PRO A 93 12.321 5.885 -7.028 1.00 0.00 N ATOM 1337 CA PRO A 93 13.041 7.154 -7.024 1.00 0.00 C ATOM 1338 C PRO A 93 13.891 7.401 -8.276 1.00 0.00 C ATOM 1339 O PRO A 93 14.202 8.561 -8.559 1.00 0.00 O ATOM 1340 CB PRO A 93 13.956 7.046 -5.803 1.00 0.00 C ATOM 1341 CG PRO A 93 14.322 5.560 -5.790 1.00 0.00 C ATOM 1342 CD PRO A 93 13.064 4.872 -6.297 1.00 0.00 C ATOM 0 HA PRO A 93 12.337 7.986 -7.002 1.00 0.00 H new ATOM 0 HB2 PRO A 93 14.838 7.680 -5.900 1.00 0.00 H new ATOM 0 HB3 PRO A 93 13.447 7.346 -4.887 1.00 0.00 H new ATOM 0 HG2 PRO A 93 15.178 5.353 -6.433 1.00 0.00 H new ATOM 0 HG3 PRO A 93 14.587 5.222 -4.788 1.00 0.00 H new ATOM 0 HD2 PRO A 93 13.313 4.029 -6.942 1.00 0.00 H new ATOM 0 HD3 PRO A 93 12.475 4.477 -5.469 1.00 0.00 H new ATOM 1350 N SER A 94 14.345 6.345 -8.960 1.00 0.00 N ATOM 1351 CA SER A 94 15.255 6.312 -10.106 1.00 0.00 C ATOM 1352 C SER A 94 15.413 4.843 -10.533 1.00 0.00 C ATOM 1353 O SER A 94 15.410 3.957 -9.673 1.00 0.00 O ATOM 1354 CB SER A 94 16.639 6.863 -9.723 1.00 0.00 C ATOM 1355 OG SER A 94 16.611 8.268 -9.551 1.00 0.00 O ATOM 0 H SER A 94 14.056 5.403 -8.698 1.00 0.00 H new ATOM 0 HA SER A 94 14.849 6.925 -10.911 1.00 0.00 H new ATOM 0 HB2 SER A 94 16.977 6.390 -8.801 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.361 6.605 -10.498 1.00 0.00 H new ATOM 0 HG SER A 94 15.682 8.579 -9.554 1.00 0.00 H new ATOM 1361 N SER A 95 15.638 4.589 -11.825 1.00 0.00 N ATOM 1362 CA SER A 95 15.767 3.259 -12.432 1.00 0.00 C ATOM 1363 C SER A 95 14.489 2.412 -12.334 1.00 0.00 C ATOM 1364 O SER A 95 13.474 2.832 -11.775 1.00 0.00 O ATOM 1365 CB SER A 95 16.988 2.510 -11.857 1.00 0.00 C ATOM 1366 OG SER A 95 17.620 1.721 -12.852 1.00 0.00 O ATOM 0 H SER A 95 15.740 5.339 -12.509 1.00 0.00 H new ATOM 0 HA SER A 95 15.928 3.422 -13.498 1.00 0.00 H new ATOM 0 HB2 SER A 95 17.701 3.228 -11.451 1.00 0.00 H new ATOM 0 HB3 SER A 95 16.672 1.873 -11.031 1.00 0.00 H new ATOM 0 HG SER A 95 18.391 1.259 -12.462 1.00 0.00 H new ATOM 1372 N GLY A 96 14.547 1.212 -12.909 1.00 0.00 N ATOM 1373 CA GLY A 96 13.492 0.224 -12.907 1.00 0.00 C ATOM 1374 C GLY A 96 14.163 -1.112 -13.051 1.00 0.00 C ATOM 1375 O GLY A 96 14.166 -1.870 -12.065 1.00 0.00 O ATOM 0 H GLY A 96 15.376 0.896 -13.412 1.00 0.00 H new ATOM 0 HA2 GLY A 96 12.916 0.272 -11.983 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.794 0.399 -13.726 1.00 0.00 H new TER 1379 GLY A 96