USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 556 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 71 LYS NZ :NH3+ 180:sc= 0.954 (180deg=0) USER MOD Set 1.2: A 73 GLN : amide:sc= 0.833 K(o=1.8,f=-4.2) USER MOD Set 2.1: A 1 MET N :NH3+ -172:sc= 0.774 (180deg=-0.134) USER MOD Set 2.2: A 3 GLN : amide:sc= 0.725 K(o=1.5,f=-1.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 140:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0.75 K(o=0.75,f=-0.035) USER MOD Single : A 8 GLN : amide:sc= 0.667 K(o=0.67,f=-1.7) USER MOD Single : A 12 MET CE :methyl -158:sc= 0 (180deg=-0.374) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0.0378 USER MOD Single : A 19 SER OG : rot -75:sc= 1.23 USER MOD Single : A 20 SER OG : rot 86:sc= 1.23 USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 0.847 (180deg=0.463) USER MOD Single : A 32 GLN : amide:sc= -0.65! X(o=-0.65!,f=-0.22) USER MOD Single : A 33 SER OG : rot 62:sc= 1.31 USER MOD Single : A 34 CYS SG : rot 150:sc= -0.486 USER MOD Single : A 35 GLN : amide:sc= 0.831 K(o=0.83,f=0) USER MOD Single : A 37 ASN : amide:sc= 0.157 K(o=0.16,f=-4!) USER MOD Single : A 42 GLN : amide:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : A 46 SER OG : rot -178:sc= 0.392 USER MOD Single : A 47 TYR OH : rot 149:sc= 0.709 USER MOD Single : A 48 HIS : no HD1:sc= -2.46 K(o=-2.5,f=-3.9!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0613 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 70:sc= 0.0224 USER MOD Single : A 66 HIS : no HD1:sc= -0.424 K(o=-0.42,f=-3) USER MOD Single : A 72 GLN : amide:sc= -0.0891! C(o=-0.089!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.159 -9.048 -9.216 1.00 7.64 N ATOM 2 CA MET A 1 -10.482 -10.353 -9.007 1.00 6.67 C ATOM 3 C MET A 1 -9.312 -10.150 -8.045 1.00 5.73 C ATOM 4 O MET A 1 -9.040 -9.003 -7.714 1.00 6.11 O ATOM 5 CB MET A 1 -10.011 -10.957 -10.346 1.00 6.52 C ATOM 6 CG MET A 1 -10.505 -12.396 -10.532 1.00 6.67 C ATOM 7 SD MET A 1 -10.048 -13.553 -9.211 1.00 7.14 S ATOM 8 CE MET A 1 -10.646 -15.104 -9.934 1.00 7.48 C ATOM 0 H1 MET A 1 -12.034 -9.194 -9.758 1.00 7.64 H new ATOM 0 H2 MET A 1 -11.389 -8.625 -8.294 1.00 7.64 H new ATOM 0 H3 MET A 1 -10.528 -8.410 -9.742 1.00 7.64 H new ATOM 0 HA MET A 1 -11.186 -11.063 -8.573 1.00 6.67 H new ATOM 0 HB2 MET A 1 -10.372 -10.340 -11.169 1.00 6.52 H new ATOM 0 HB3 MET A 1 -8.922 -10.939 -10.389 1.00 6.52 H new ATOM 0 HG2 MET A 1 -11.591 -12.381 -10.619 1.00 6.67 H new ATOM 0 HG3 MET A 1 -10.115 -12.777 -11.476 1.00 6.67 H new ATOM 0 HE1 MET A 1 -10.444 -15.927 -9.248 1.00 7.48 H new ATOM 0 HE2 MET A 1 -11.719 -15.033 -10.110 1.00 7.48 H new ATOM 0 HE3 MET A 1 -10.135 -15.286 -10.879 1.00 7.48 H new ATOM 20 N ALA A 2 -8.595 -11.200 -7.632 1.00 4.98 N ATOM 21 CA ALA A 2 -7.250 -11.050 -7.063 1.00 4.15 C ATOM 22 C ALA A 2 -6.283 -10.606 -8.177 1.00 2.88 C ATOM 23 O ALA A 2 -6.256 -11.212 -9.246 1.00 3.28 O ATOM 24 CB ALA A 2 -6.828 -12.368 -6.405 1.00 4.64 C ATOM 0 H ALA A 2 -8.923 -12.164 -7.681 1.00 4.98 H new ATOM 0 HA ALA A 2 -7.235 -10.283 -6.288 1.00 4.15 H new ATOM 0 HB1 ALA A 2 -5.829 -12.260 -5.981 1.00 4.64 H new ATOM 0 HB2 ALA A 2 -7.533 -12.621 -5.613 1.00 4.64 H new ATOM 0 HB3 ALA A 2 -6.821 -13.162 -7.152 1.00 4.64 H new ATOM 30 N GLN A 3 -5.547 -9.515 -7.964 1.00 1.94 N ATOM 31 CA GLN A 3 -4.860 -8.756 -9.013 1.00 1.03 C ATOM 32 C GLN A 3 -3.867 -7.789 -8.348 1.00 0.89 C ATOM 33 O GLN A 3 -4.272 -6.967 -7.524 1.00 1.20 O ATOM 34 CB GLN A 3 -5.904 -8.063 -9.926 1.00 1.38 C ATOM 35 CG GLN A 3 -6.850 -7.081 -9.196 1.00 2.02 C ATOM 36 CD GLN A 3 -8.221 -6.871 -9.859 1.00 3.44 C ATOM 37 OE1 GLN A 3 -8.867 -7.762 -10.407 1.00 3.88 O ATOM 38 NE2 GLN A 3 -8.767 -5.675 -9.786 1.00 4.72 N ATOM 0 H GLN A 3 -5.408 -9.123 -7.033 1.00 1.94 H new ATOM 0 HA GLN A 3 -4.280 -9.408 -9.666 1.00 1.03 H new ATOM 0 HB2 GLN A 3 -5.377 -7.522 -10.712 1.00 1.38 H new ATOM 0 HB3 GLN A 3 -6.505 -8.830 -10.415 1.00 1.38 H new ATOM 0 HG2 GLN A 3 -7.008 -7.443 -8.180 1.00 2.02 H new ATOM 0 HG3 GLN A 3 -6.352 -6.115 -9.116 1.00 2.02 H new ATOM 0 HE21 GLN A 3 -8.262 -4.910 -9.339 1.00 4.72 H new ATOM 0 HE22 GLN A 3 -9.695 -5.513 -10.177 1.00 4.72 H new ATOM 47 N THR A 4 -2.560 -7.928 -8.620 1.00 0.76 N ATOM 48 CA THR A 4 -1.517 -7.199 -7.878 1.00 0.74 C ATOM 49 C THR A 4 -1.009 -6.003 -8.667 1.00 0.83 C ATOM 50 O THR A 4 -0.869 -6.037 -9.888 1.00 1.07 O ATOM 51 CB THR A 4 -0.389 -8.127 -7.384 1.00 0.75 C ATOM 52 OG1 THR A 4 0.516 -7.371 -6.613 1.00 0.91 O ATOM 53 CG2 THR A 4 0.404 -8.795 -8.508 1.00 1.01 C ATOM 0 H THR A 4 -2.198 -8.541 -9.351 1.00 0.76 H new ATOM 0 HA THR A 4 -1.977 -6.800 -6.974 1.00 0.74 H new ATOM 0 HB THR A 4 -0.873 -8.918 -6.811 1.00 0.75 H new ATOM 0 HG1 THR A 4 0.802 -7.896 -5.837 1.00 0.91 H new ATOM 0 HG21 THR A 4 1.178 -9.431 -8.079 1.00 1.01 H new ATOM 0 HG22 THR A 4 -0.267 -9.401 -9.117 1.00 1.01 H new ATOM 0 HG23 THR A 4 0.867 -8.030 -9.131 1.00 1.01 H new ATOM 61 N ILE A 5 -0.724 -4.936 -7.928 1.00 0.74 N ATOM 62 CA ILE A 5 -0.004 -3.758 -8.385 1.00 0.81 C ATOM 63 C ILE A 5 1.346 -3.784 -7.662 1.00 0.66 C ATOM 64 O ILE A 5 1.393 -3.952 -6.439 1.00 0.56 O ATOM 65 CB ILE A 5 -0.794 -2.455 -8.089 1.00 0.99 C ATOM 66 CG1 ILE A 5 -2.146 -2.323 -8.836 1.00 1.37 C ATOM 67 CG2 ILE A 5 0.046 -1.228 -8.492 1.00 1.11 C ATOM 68 CD1 ILE A 5 -3.250 -3.298 -8.414 1.00 1.42 C ATOM 0 H ILE A 5 -1.003 -4.868 -6.949 1.00 0.74 H new ATOM 0 HA ILE A 5 0.132 -3.772 -9.466 1.00 0.81 H new ATOM 0 HB ILE A 5 -1.002 -2.503 -7.020 1.00 0.99 H new ATOM 0 HG12 ILE A 5 -2.516 -1.307 -8.699 1.00 1.37 H new ATOM 0 HG13 ILE A 5 -1.962 -2.454 -9.902 1.00 1.37 H new ATOM 0 HG21 ILE A 5 -0.515 -0.318 -8.281 1.00 1.11 H new ATOM 0 HG22 ILE A 5 0.976 -1.221 -7.923 1.00 1.11 H new ATOM 0 HG23 ILE A 5 0.273 -1.276 -9.557 1.00 1.11 H new ATOM 0 HD11 ILE A 5 -4.147 -3.110 -9.005 1.00 1.42 H new ATOM 0 HD12 ILE A 5 -2.914 -4.322 -8.579 1.00 1.42 H new ATOM 0 HD13 ILE A 5 -3.476 -3.157 -7.357 1.00 1.42 H new ATOM 80 N ASN A 6 2.418 -3.605 -8.436 1.00 0.75 N ATOM 81 CA ASN A 6 3.783 -3.337 -7.976 1.00 0.67 C ATOM 82 C ASN A 6 4.207 -1.914 -8.400 1.00 0.61 C ATOM 83 O ASN A 6 4.148 -1.564 -9.586 1.00 0.80 O ATOM 84 CB ASN A 6 4.752 -4.426 -8.487 1.00 0.78 C ATOM 85 CG ASN A 6 4.506 -4.908 -9.918 1.00 0.98 C ATOM 86 OD1 ASN A 6 4.328 -6.086 -10.172 1.00 2.27 O ATOM 87 ND2 ASN A 6 4.455 -4.031 -10.903 1.00 1.38 N ATOM 0 H ASN A 6 2.355 -3.645 -9.453 1.00 0.75 H new ATOM 0 HA ASN A 6 3.818 -3.377 -6.887 1.00 0.67 H new ATOM 0 HB2 ASN A 6 5.770 -4.042 -8.422 1.00 0.78 H new ATOM 0 HB3 ASN A 6 4.692 -5.284 -7.818 1.00 0.78 H new ATOM 0 HD21 ASN A 6 4.269 -4.344 -11.856 1.00 1.38 H new ATOM 0 HD22 ASN A 6 4.601 -3.040 -10.711 1.00 1.38 H new ATOM 94 N LEU A 7 4.604 -1.078 -7.438 1.00 0.54 N ATOM 95 CA LEU A 7 4.768 0.374 -7.610 1.00 0.45 C ATOM 96 C LEU A 7 5.763 0.971 -6.595 1.00 0.45 C ATOM 97 O LEU A 7 6.259 0.256 -5.735 1.00 0.53 O ATOM 98 CB LEU A 7 3.367 1.040 -7.617 1.00 0.45 C ATOM 99 CG LEU A 7 2.731 1.397 -6.255 1.00 0.51 C ATOM 100 CD1 LEU A 7 1.404 2.128 -6.496 1.00 0.56 C ATOM 101 CD2 LEU A 7 2.473 0.170 -5.371 1.00 0.56 C ATOM 0 H LEU A 7 4.826 -1.396 -6.495 1.00 0.54 H new ATOM 0 HA LEU A 7 5.230 0.587 -8.574 1.00 0.45 H new ATOM 0 HB2 LEU A 7 3.434 1.955 -8.205 1.00 0.45 H new ATOM 0 HB3 LEU A 7 2.682 0.374 -8.142 1.00 0.45 H new ATOM 0 HG LEU A 7 3.442 2.031 -5.726 1.00 0.51 H new ATOM 0 HD11 LEU A 7 0.950 2.383 -5.538 1.00 0.56 H new ATOM 0 HD12 LEU A 7 1.589 3.040 -7.064 1.00 0.56 H new ATOM 0 HD13 LEU A 7 0.729 1.482 -7.057 1.00 0.56 H new ATOM 0 HD21 LEU A 7 2.026 0.488 -4.429 1.00 0.56 H new ATOM 0 HD22 LEU A 7 1.794 -0.511 -5.884 1.00 0.56 H new ATOM 0 HD23 LEU A 7 3.416 -0.339 -5.171 1.00 0.56 H new ATOM 113 N GLN A 8 6.060 2.268 -6.676 1.00 0.41 N ATOM 114 CA GLN A 8 6.800 3.043 -5.668 1.00 0.44 C ATOM 115 C GLN A 8 5.850 3.849 -4.770 1.00 0.39 C ATOM 116 O GLN A 8 4.695 4.104 -5.118 1.00 0.43 O ATOM 117 CB GLN A 8 7.847 3.943 -6.350 1.00 0.56 C ATOM 118 CG GLN A 8 9.259 3.346 -6.285 1.00 0.88 C ATOM 119 CD GLN A 8 10.240 4.162 -7.140 1.00 1.06 C ATOM 120 OE1 GLN A 8 10.179 4.157 -8.366 1.00 1.30 O ATOM 121 NE2 GLN A 8 11.149 4.917 -6.564 1.00 1.21 N ATOM 0 H GLN A 8 5.782 2.835 -7.477 1.00 0.41 H new ATOM 0 HA GLN A 8 7.329 2.346 -5.018 1.00 0.44 H new ATOM 0 HB2 GLN A 8 7.567 4.096 -7.392 1.00 0.56 H new ATOM 0 HB3 GLN A 8 7.847 4.923 -5.873 1.00 0.56 H new ATOM 0 HG2 GLN A 8 9.602 3.326 -5.251 1.00 0.88 H new ATOM 0 HG3 GLN A 8 9.238 2.314 -6.634 1.00 0.88 H new ATOM 0 HE21 GLN A 8 11.222 4.941 -5.547 1.00 1.21 H new ATOM 0 HE22 GLN A 8 11.781 5.479 -7.134 1.00 1.21 H new ATOM 130 N LEU A 9 6.347 4.243 -3.594 1.00 0.40 N ATOM 131 CA LEU A 9 5.534 4.766 -2.495 1.00 0.37 C ATOM 132 C LEU A 9 6.171 6.065 -1.971 1.00 0.51 C ATOM 133 O LEU A 9 7.098 6.052 -1.165 1.00 0.98 O ATOM 134 CB LEU A 9 5.412 3.630 -1.457 1.00 0.42 C ATOM 135 CG LEU A 9 4.303 3.802 -0.405 1.00 0.66 C ATOM 136 CD1 LEU A 9 3.932 2.419 0.153 1.00 1.84 C ATOM 137 CD2 LEU A 9 4.714 4.714 0.755 1.00 1.32 C ATOM 0 H LEU A 9 7.343 4.206 -3.376 1.00 0.40 H new ATOM 0 HA LEU A 9 4.524 5.048 -2.792 1.00 0.37 H new ATOM 0 HB2 LEU A 9 5.241 2.694 -1.989 1.00 0.42 H new ATOM 0 HB3 LEU A 9 6.366 3.532 -0.939 1.00 0.42 H new ATOM 0 HG LEU A 9 3.455 4.274 -0.900 1.00 0.66 H new ATOM 0 HD11 LEU A 9 3.146 2.527 0.901 1.00 1.84 H new ATOM 0 HD12 LEU A 9 3.577 1.783 -0.658 1.00 1.84 H new ATOM 0 HD13 LEU A 9 4.810 1.965 0.613 1.00 1.84 H new ATOM 0 HD21 LEU A 9 3.890 4.796 1.463 1.00 1.32 H new ATOM 0 HD22 LEU A 9 5.584 4.293 1.258 1.00 1.32 H new ATOM 0 HD23 LEU A 9 4.961 5.703 0.370 1.00 1.32 H new ATOM 149 N GLU A 10 5.688 7.196 -2.482 1.00 0.56 N ATOM 150 CA GLU A 10 6.367 8.493 -2.431 1.00 0.71 C ATOM 151 C GLU A 10 5.943 9.355 -1.239 1.00 0.76 C ATOM 152 O GLU A 10 4.825 9.263 -0.730 1.00 0.79 O ATOM 153 CB GLU A 10 6.128 9.248 -3.748 1.00 1.17 C ATOM 154 CG GLU A 10 7.174 8.825 -4.787 1.00 2.36 C ATOM 155 CD GLU A 10 7.004 9.520 -6.136 1.00 2.92 C ATOM 156 OE1 GLU A 10 5.911 10.061 -6.405 1.00 2.99 O ATOM 157 OE2 GLU A 10 7.945 9.403 -6.949 1.00 4.30 O ATOM 0 H GLU A 10 4.787 7.238 -2.957 1.00 0.56 H new ATOM 0 HA GLU A 10 7.430 8.293 -2.297 1.00 0.71 H new ATOM 0 HB2 GLU A 10 5.126 9.038 -4.121 1.00 1.17 H new ATOM 0 HB3 GLU A 10 6.186 10.323 -3.577 1.00 1.17 H new ATOM 0 HG2 GLU A 10 8.169 9.041 -4.398 1.00 2.36 H new ATOM 0 HG3 GLU A 10 7.115 7.746 -4.932 1.00 2.36 H new ATOM 164 N GLY A 11 6.871 10.200 -0.781 1.00 1.21 N ATOM 165 CA GLY A 11 6.718 11.007 0.437 1.00 1.53 C ATOM 166 C GLY A 11 7.020 10.230 1.721 1.00 1.41 C ATOM 167 O GLY A 11 6.992 10.818 2.800 1.00 1.76 O ATOM 0 H GLY A 11 7.764 10.346 -1.252 1.00 1.21 H new ATOM 0 HA2 GLY A 11 7.381 11.870 0.378 1.00 1.53 H new ATOM 0 HA3 GLY A 11 5.699 11.391 0.484 1.00 1.53 H new ATOM 171 N MET A 12 7.326 8.932 1.605 1.00 1.22 N ATOM 172 CA MET A 12 7.694 8.044 2.708 1.00 1.22 C ATOM 173 C MET A 12 8.888 8.570 3.521 1.00 1.13 C ATOM 174 O MET A 12 9.737 9.300 3.002 1.00 2.03 O ATOM 175 CB MET A 12 7.876 6.606 2.185 1.00 1.52 C ATOM 176 CG MET A 12 9.132 6.397 1.332 1.00 1.94 C ATOM 177 SD MET A 12 10.643 6.078 2.278 1.00 3.03 S ATOM 178 CE MET A 12 11.802 6.975 1.215 1.00 4.75 C ATOM 0 H MET A 12 7.323 8.455 0.703 1.00 1.22 H new ATOM 0 HA MET A 12 6.875 8.024 3.427 1.00 1.22 H new ATOM 0 HB2 MET A 12 7.912 5.925 3.035 1.00 1.52 H new ATOM 0 HB3 MET A 12 7.001 6.334 1.595 1.00 1.52 H new ATOM 0 HG2 MET A 12 8.960 5.560 0.655 1.00 1.94 H new ATOM 0 HG3 MET A 12 9.286 7.281 0.714 1.00 1.94 H new ATOM 0 HE1 MET A 12 12.812 6.598 1.379 1.00 4.75 H new ATOM 0 HE2 MET A 12 11.525 6.830 0.171 1.00 4.75 H new ATOM 0 HE3 MET A 12 11.768 8.038 1.455 1.00 4.75 H new ATOM 188 N ARG A 13 8.932 8.243 4.823 1.00 1.09 N ATOM 189 CA ARG A 13 9.963 8.783 5.722 1.00 1.37 C ATOM 190 C ARG A 13 10.192 8.066 7.062 1.00 1.43 C ATOM 191 O ARG A 13 11.264 8.249 7.630 1.00 1.97 O ATOM 192 CB ARG A 13 9.694 10.289 5.962 1.00 2.02 C ATOM 193 CG ARG A 13 10.969 11.146 5.947 1.00 2.78 C ATOM 194 CD ARG A 13 11.587 11.255 4.543 1.00 3.06 C ATOM 195 NE ARG A 13 12.815 12.071 4.559 1.00 4.00 N ATOM 196 CZ ARG A 13 12.896 13.396 4.492 1.00 4.85 C ATOM 197 NH1 ARG A 13 11.830 14.159 4.341 1.00 5.13 N ATOM 198 NH2 ARG A 13 14.072 13.980 4.583 1.00 6.07 N ATOM 0 H ARG A 13 8.270 7.611 5.274 1.00 1.09 H new ATOM 0 HA ARG A 13 10.896 8.605 5.188 1.00 1.37 H new ATOM 0 HB2 ARG A 13 9.010 10.655 5.196 1.00 2.02 H new ATOM 0 HB3 ARG A 13 9.193 10.413 6.922 1.00 2.02 H new ATOM 0 HG2 ARG A 13 10.736 12.145 6.317 1.00 2.78 H new ATOM 0 HG3 ARG A 13 11.701 10.715 6.630 1.00 2.78 H new ATOM 0 HD2 ARG A 13 11.815 10.258 4.166 1.00 3.06 H new ATOM 0 HD3 ARG A 13 10.863 11.697 3.858 1.00 3.06 H new ATOM 0 HE ARG A 13 13.697 11.564 4.629 1.00 4.00 H new ATOM 0 HH11 ARG A 13 10.905 13.735 4.272 1.00 5.13 H new ATOM 0 HH12 ARG A 13 11.931 15.173 4.294 1.00 5.13 H new ATOM 0 HH21 ARG A 13 14.913 13.416 4.704 1.00 6.07 H new ATOM 0 HH22 ARG A 13 14.142 14.996 4.532 1.00 6.07 H new ATOM 212 N CYS A 14 9.252 7.270 7.596 1.00 1.85 N ATOM 213 CA CYS A 14 9.413 6.617 8.911 1.00 2.20 C ATOM 214 C CYS A 14 8.968 5.142 8.935 1.00 2.59 C ATOM 215 O CYS A 14 7.867 4.803 8.486 1.00 3.42 O ATOM 216 CB CYS A 14 8.674 7.456 9.965 1.00 3.15 C ATOM 217 SG CYS A 14 9.033 6.815 11.628 1.00 4.62 S ATOM 0 H CYS A 14 8.366 7.060 7.136 1.00 1.85 H new ATOM 0 HA CYS A 14 10.478 6.580 9.140 1.00 2.20 H new ATOM 0 HB2 CYS A 14 8.982 8.499 9.893 1.00 3.15 H new ATOM 0 HB3 CYS A 14 7.600 7.427 9.778 1.00 3.15 H new ATOM 0 HG CYS A 14 8.406 7.531 12.514 1.00 4.62 H new ATOM 223 N ALA A 15 9.799 4.285 9.540 1.00 2.91 N ATOM 224 CA ALA A 15 9.608 2.844 9.742 1.00 3.99 C ATOM 225 C ALA A 15 8.548 2.516 10.821 1.00 3.04 C ATOM 226 O ALA A 15 8.805 1.805 11.786 1.00 4.17 O ATOM 227 CB ALA A 15 10.983 2.228 10.047 1.00 6.05 C ATOM 0 H ALA A 15 10.686 4.603 9.929 1.00 2.91 H new ATOM 0 HA ALA A 15 9.201 2.401 8.833 1.00 3.99 H new ATOM 0 HB1 ALA A 15 10.874 1.155 10.203 1.00 6.05 H new ATOM 0 HB2 ALA A 15 11.656 2.407 9.208 1.00 6.05 H new ATOM 0 HB3 ALA A 15 11.395 2.685 10.947 1.00 6.05 H new ATOM 233 N ALA A 16 7.347 3.068 10.644 1.00 1.91 N ATOM 234 CA ALA A 16 6.157 2.861 11.479 1.00 1.24 C ATOM 235 C ALA A 16 4.895 3.253 10.695 1.00 0.98 C ATOM 236 O ALA A 16 3.950 2.476 10.562 1.00 1.28 O ATOM 237 CB ALA A 16 6.298 3.683 12.770 1.00 1.56 C ATOM 0 H ALA A 16 7.165 3.708 9.871 1.00 1.91 H new ATOM 0 HA ALA A 16 6.066 1.809 11.749 1.00 1.24 H new ATOM 0 HB1 ALA A 16 5.417 3.534 13.395 1.00 1.56 H new ATOM 0 HB2 ALA A 16 7.186 3.359 13.312 1.00 1.56 H new ATOM 0 HB3 ALA A 16 6.390 4.740 12.520 1.00 1.56 H new ATOM 243 N CYS A 17 4.935 4.428 10.061 1.00 0.84 N ATOM 244 CA CYS A 17 3.969 4.906 9.078 1.00 0.88 C ATOM 245 C CYS A 17 3.820 3.962 7.875 1.00 0.76 C ATOM 246 O CYS A 17 2.715 3.830 7.368 1.00 0.87 O ATOM 247 CB CYS A 17 4.447 6.287 8.607 1.00 1.35 C ATOM 248 SG CYS A 17 4.694 7.418 10.008 1.00 2.17 S ATOM 0 H CYS A 17 5.681 5.103 10.231 1.00 0.84 H new ATOM 0 HA CYS A 17 2.985 4.954 9.545 1.00 0.88 H new ATOM 0 HB2 CYS A 17 5.380 6.181 8.054 1.00 1.35 H new ATOM 0 HB3 CYS A 17 3.716 6.712 7.919 1.00 1.35 H new ATOM 0 HG CYS A 17 5.100 8.572 9.568 1.00 2.17 H new ATOM 254 N ALA A 18 4.895 3.288 7.441 1.00 0.74 N ATOM 255 CA ALA A 18 4.889 2.389 6.287 1.00 0.73 C ATOM 256 C ALA A 18 4.028 1.140 6.535 1.00 0.64 C ATOM 257 O ALA A 18 2.993 0.976 5.908 1.00 0.74 O ATOM 258 CB ALA A 18 6.348 2.059 5.947 1.00 0.93 C ATOM 0 H ALA A 18 5.807 3.356 7.893 1.00 0.74 H new ATOM 0 HA ALA A 18 4.424 2.875 5.429 1.00 0.73 H new ATOM 0 HB1 ALA A 18 6.379 1.388 5.088 1.00 0.93 H new ATOM 0 HB2 ALA A 18 6.883 2.978 5.709 1.00 0.93 H new ATOM 0 HB3 ALA A 18 6.820 1.575 6.802 1.00 0.93 H new ATOM 264 N SER A 19 4.362 0.302 7.514 1.00 0.67 N ATOM 265 CA SER A 19 3.555 -0.910 7.791 1.00 0.78 C ATOM 266 C SER A 19 2.188 -0.610 8.436 1.00 0.72 C ATOM 267 O SER A 19 1.296 -1.460 8.466 1.00 0.80 O ATOM 268 CB SER A 19 4.364 -1.932 8.588 1.00 1.06 C ATOM 269 OG SER A 19 5.489 -2.315 7.822 1.00 1.75 O ATOM 0 H SER A 19 5.169 0.426 8.125 1.00 0.67 H new ATOM 0 HA SER A 19 3.315 -1.351 6.824 1.00 0.78 H new ATOM 0 HB2 SER A 19 4.682 -1.504 9.539 1.00 1.06 H new ATOM 0 HB3 SER A 19 3.750 -2.802 8.820 1.00 1.06 H new ATOM 0 HG SER A 19 5.206 -2.921 7.106 1.00 1.75 H new ATOM 275 N SER A 20 1.959 0.628 8.878 1.00 0.66 N ATOM 276 CA SER A 20 0.608 1.128 9.171 1.00 0.74 C ATOM 277 C SER A 20 -0.311 1.209 7.933 1.00 0.69 C ATOM 278 O SER A 20 -1.533 1.277 8.088 1.00 0.81 O ATOM 279 CB SER A 20 0.688 2.493 9.856 1.00 0.83 C ATOM 280 OG SER A 20 1.278 2.378 11.136 1.00 1.78 O ATOM 0 H SER A 20 2.698 1.311 9.043 1.00 0.66 H new ATOM 0 HA SER A 20 0.153 0.397 9.840 1.00 0.74 H new ATOM 0 HB2 SER A 20 1.271 3.180 9.242 1.00 0.83 H new ATOM 0 HB3 SER A 20 -0.311 2.918 9.948 1.00 0.83 H new ATOM 0 HG SER A 20 2.254 2.416 11.051 1.00 1.78 H new ATOM 286 N ILE A 21 0.254 1.189 6.718 1.00 0.58 N ATOM 287 CA ILE A 21 -0.454 1.003 5.434 1.00 0.61 C ATOM 288 C ILE A 21 -0.862 -0.471 5.318 1.00 0.66 C ATOM 289 O ILE A 21 -2.046 -0.789 5.271 1.00 0.75 O ATOM 290 CB ILE A 21 0.447 1.449 4.245 1.00 0.60 C ATOM 291 CG1 ILE A 21 0.923 2.914 4.425 1.00 0.61 C ATOM 292 CG2 ILE A 21 -0.246 1.218 2.892 1.00 0.75 C ATOM 293 CD1 ILE A 21 2.010 3.362 3.449 1.00 0.71 C ATOM 0 H ILE A 21 1.259 1.307 6.593 1.00 0.58 H new ATOM 0 HA ILE A 21 -1.349 1.624 5.401 1.00 0.61 H new ATOM 0 HB ILE A 21 1.339 0.822 4.245 1.00 0.60 H new ATOM 0 HG12 ILE A 21 0.064 3.576 4.318 1.00 0.61 H new ATOM 0 HG13 ILE A 21 1.295 3.037 5.442 1.00 0.61 H new ATOM 0 HG21 ILE A 21 0.413 1.541 2.086 1.00 0.75 H new ATOM 0 HG22 ILE A 21 -0.470 0.158 2.774 1.00 0.75 H new ATOM 0 HG23 ILE A 21 -1.172 1.791 2.855 1.00 0.75 H new ATOM 0 HD11 ILE A 21 2.277 4.399 3.653 1.00 0.71 H new ATOM 0 HD12 ILE A 21 2.890 2.730 3.569 1.00 0.71 H new ATOM 0 HD13 ILE A 21 1.639 3.277 2.427 1.00 0.71 H new ATOM 305 N GLU A 22 0.119 -1.373 5.365 1.00 0.64 N ATOM 306 CA GLU A 22 -0.043 -2.823 5.201 1.00 0.70 C ATOM 307 C GLU A 22 -1.098 -3.371 6.179 1.00 0.72 C ATOM 308 O GLU A 22 -2.071 -4.011 5.776 1.00 0.79 O ATOM 309 CB GLU A 22 1.331 -3.505 5.382 1.00 0.75 C ATOM 310 CG GLU A 22 2.386 -2.976 4.389 1.00 0.88 C ATOM 311 CD GLU A 22 3.781 -3.553 4.632 1.00 0.97 C ATOM 312 OE1 GLU A 22 4.345 -3.263 5.710 1.00 2.35 O ATOM 313 OE2 GLU A 22 4.311 -4.211 3.711 1.00 1.75 O ATOM 0 H GLU A 22 1.090 -1.105 5.525 1.00 0.64 H new ATOM 0 HA GLU A 22 -0.408 -3.044 4.198 1.00 0.70 H new ATOM 0 HB2 GLU A 22 1.682 -3.343 6.401 1.00 0.75 H new ATOM 0 HB3 GLU A 22 1.219 -4.581 5.250 1.00 0.75 H new ATOM 0 HG2 GLU A 22 2.072 -3.215 3.373 1.00 0.88 H new ATOM 0 HG3 GLU A 22 2.431 -1.889 4.461 1.00 0.88 H new ATOM 320 N ARG A 23 -1.005 -3.006 7.466 1.00 0.73 N ATOM 321 CA ARG A 23 -1.999 -3.386 8.476 1.00 0.88 C ATOM 322 C ARG A 23 -3.359 -2.686 8.316 1.00 0.95 C ATOM 323 O ARG A 23 -4.358 -3.145 8.872 1.00 1.10 O ATOM 324 CB ARG A 23 -1.407 -3.168 9.874 1.00 0.92 C ATOM 325 CG ARG A 23 -2.135 -4.055 10.897 1.00 1.24 C ATOM 326 CD ARG A 23 -1.463 -4.063 12.270 1.00 1.89 C ATOM 327 NE ARG A 23 -2.185 -4.974 13.176 1.00 2.11 N ATOM 328 CZ ARG A 23 -2.051 -5.062 14.494 1.00 2.68 C ATOM 329 NH1 ARG A 23 -1.244 -4.267 15.168 1.00 3.72 N ATOM 330 NH2 ARG A 23 -2.736 -5.970 15.155 1.00 2.86 N ATOM 0 H ARG A 23 -0.240 -2.440 7.834 1.00 0.73 H new ATOM 0 HA ARG A 23 -2.220 -4.443 8.329 1.00 0.88 H new ATOM 0 HB2 ARG A 23 -0.343 -3.404 9.868 1.00 0.92 H new ATOM 0 HB3 ARG A 23 -1.500 -2.120 10.158 1.00 0.92 H new ATOM 0 HG2 ARG A 23 -3.163 -3.707 11.004 1.00 1.24 H new ATOM 0 HG3 ARG A 23 -2.182 -5.075 10.516 1.00 1.24 H new ATOM 0 HD2 ARG A 23 -0.424 -4.379 12.174 1.00 1.89 H new ATOM 0 HD3 ARG A 23 -1.453 -3.055 12.686 1.00 1.89 H new ATOM 0 HE ARG A 23 -2.860 -5.605 12.744 1.00 2.11 H new ATOM 0 HH11 ARG A 23 -0.699 -3.558 14.677 1.00 3.72 H new ATOM 0 HH12 ARG A 23 -1.164 -4.361 16.181 1.00 3.72 H new ATOM 0 HH21 ARG A 23 -3.364 -6.599 14.655 1.00 2.86 H new ATOM 0 HH22 ARG A 23 -2.639 -6.045 16.168 1.00 2.86 H new ATOM 344 N ALA A 24 -3.439 -1.568 7.592 1.00 0.88 N ATOM 345 CA ALA A 24 -4.722 -0.981 7.187 1.00 0.98 C ATOM 346 C ALA A 24 -5.367 -1.753 6.021 1.00 0.90 C ATOM 347 O ALA A 24 -6.579 -1.978 6.047 1.00 1.07 O ATOM 348 CB ALA A 24 -4.553 0.512 6.874 1.00 1.01 C ATOM 0 H ALA A 24 -2.624 -1.046 7.271 1.00 0.88 H new ATOM 0 HA ALA A 24 -5.413 -1.069 8.025 1.00 0.98 H new ATOM 0 HB1 ALA A 24 -5.513 0.932 6.575 1.00 1.01 H new ATOM 0 HB2 ALA A 24 -4.190 1.031 7.761 1.00 1.01 H new ATOM 0 HB3 ALA A 24 -3.835 0.635 6.063 1.00 1.01 H new ATOM 354 N ILE A 25 -4.577 -2.208 5.047 1.00 0.70 N ATOM 355 CA ILE A 25 -5.037 -3.017 3.907 1.00 0.65 C ATOM 356 C ILE A 25 -5.459 -4.418 4.364 1.00 0.68 C ATOM 357 O ILE A 25 -6.424 -4.954 3.827 1.00 0.70 O ATOM 358 CB ILE A 25 -3.943 -3.074 2.817 1.00 0.60 C ATOM 359 CG1 ILE A 25 -3.606 -1.669 2.266 1.00 0.59 C ATOM 360 CG2 ILE A 25 -4.418 -3.979 1.669 1.00 0.77 C ATOM 361 CD1 ILE A 25 -2.329 -1.622 1.415 1.00 1.04 C ATOM 0 H ILE A 25 -3.574 -2.022 5.025 1.00 0.70 H new ATOM 0 HA ILE A 25 -5.917 -2.543 3.473 1.00 0.65 H new ATOM 0 HB ILE A 25 -3.037 -3.478 3.268 1.00 0.60 H new ATOM 0 HG12 ILE A 25 -4.444 -1.315 1.665 1.00 0.59 H new ATOM 0 HG13 ILE A 25 -3.499 -0.978 3.102 1.00 0.59 H new ATOM 0 HG21 ILE A 25 -3.649 -4.022 0.898 1.00 0.77 H new ATOM 0 HG22 ILE A 25 -4.606 -4.983 2.051 1.00 0.77 H new ATOM 0 HG23 ILE A 25 -5.337 -3.575 1.243 1.00 0.77 H new ATOM 0 HD11 ILE A 25 -2.162 -0.603 1.066 1.00 1.04 H new ATOM 0 HD12 ILE A 25 -1.479 -1.944 2.017 1.00 1.04 H new ATOM 0 HD13 ILE A 25 -2.439 -2.286 0.557 1.00 1.04 H new ATOM 373 N ALA A 26 -4.835 -4.960 5.411 1.00 0.70 N ATOM 374 CA ALA A 26 -5.184 -6.245 6.030 1.00 0.73 C ATOM 375 C ALA A 26 -6.683 -6.440 6.371 1.00 0.75 C ATOM 376 O ALA A 26 -7.106 -7.563 6.621 1.00 0.80 O ATOM 377 CB ALA A 26 -4.297 -6.424 7.266 1.00 0.84 C ATOM 0 H ALA A 26 -4.046 -4.503 5.869 1.00 0.70 H new ATOM 0 HA ALA A 26 -4.999 -7.021 5.287 1.00 0.73 H new ATOM 0 HB1 ALA A 26 -4.533 -7.372 7.749 1.00 0.84 H new ATOM 0 HB2 ALA A 26 -3.249 -6.421 6.965 1.00 0.84 H new ATOM 0 HB3 ALA A 26 -4.477 -5.606 7.964 1.00 0.84 H new ATOM 383 N LYS A 27 -7.509 -5.381 6.396 1.00 0.78 N ATOM 384 CA LYS A 27 -8.967 -5.470 6.540 1.00 0.82 C ATOM 385 C LYS A 27 -9.756 -5.526 5.213 1.00 0.74 C ATOM 386 O LYS A 27 -10.973 -5.681 5.257 1.00 0.80 O ATOM 387 CB LYS A 27 -9.454 -4.270 7.361 1.00 1.00 C ATOM 388 CG LYS A 27 -8.843 -4.227 8.768 1.00 1.20 C ATOM 389 CD LYS A 27 -7.569 -3.388 8.927 1.00 1.67 C ATOM 390 CE LYS A 27 -7.845 -1.891 9.162 1.00 2.82 C ATOM 391 NZ LYS A 27 -8.452 -1.225 7.981 1.00 4.37 N ATOM 0 H LYS A 27 -7.173 -4.421 6.315 1.00 0.78 H new ATOM 0 HA LYS A 27 -9.161 -6.421 7.037 1.00 0.82 H new ATOM 0 HB2 LYS A 27 -9.205 -3.349 6.833 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -10.540 -4.308 7.442 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -9.595 -3.842 9.457 1.00 1.20 H new ATOM 0 HG3 LYS A 27 -8.621 -5.249 9.077 1.00 1.20 H new ATOM 0 HD2 LYS A 27 -6.989 -3.778 9.763 1.00 1.67 H new ATOM 0 HD3 LYS A 27 -6.955 -3.500 8.033 1.00 1.67 H new ATOM 0 HE2 LYS A 27 -8.510 -1.779 10.018 1.00 2.82 H new ATOM 0 HE3 LYS A 27 -6.911 -1.390 9.416 1.00 2.82 H new ATOM 0 HZ1 LYS A 27 -8.429 -0.194 8.114 1.00 4.37 H new ATOM 0 HZ2 LYS A 27 -7.914 -1.476 7.127 1.00 4.37 H new ATOM 0 HZ3 LYS A 27 -9.438 -1.539 7.874 1.00 4.37 H new ATOM 405 N VAL A 28 -9.121 -5.334 4.060 1.00 0.67 N ATOM 406 CA VAL A 28 -9.756 -5.394 2.733 1.00 0.70 C ATOM 407 C VAL A 28 -9.858 -6.867 2.333 1.00 0.68 C ATOM 408 O VAL A 28 -8.833 -7.545 2.385 1.00 0.59 O ATOM 409 CB VAL A 28 -8.932 -4.603 1.687 1.00 0.74 C ATOM 410 CG1 VAL A 28 -9.573 -4.658 0.291 1.00 1.06 C ATOM 411 CG2 VAL A 28 -8.798 -3.121 2.094 1.00 0.97 C ATOM 0 H VAL A 28 -8.123 -5.126 4.014 1.00 0.67 H new ATOM 0 HA VAL A 28 -10.746 -4.940 2.772 1.00 0.70 H new ATOM 0 HB VAL A 28 -7.950 -5.075 1.652 1.00 0.74 H new ATOM 0 HG11 VAL A 28 -8.963 -4.091 -0.412 1.00 1.06 H new ATOM 0 HG12 VAL A 28 -9.638 -5.695 -0.039 1.00 1.06 H new ATOM 0 HG13 VAL A 28 -10.574 -4.228 0.333 1.00 1.06 H new ATOM 0 HG21 VAL A 28 -8.215 -2.589 1.342 1.00 0.97 H new ATOM 0 HG22 VAL A 28 -9.789 -2.673 2.169 1.00 0.97 H new ATOM 0 HG23 VAL A 28 -8.295 -3.053 3.059 1.00 0.97 H new ATOM 421 N PRO A 29 -11.035 -7.389 1.933 1.00 0.99 N ATOM 422 CA PRO A 29 -11.231 -8.829 1.780 1.00 1.24 C ATOM 423 C PRO A 29 -10.279 -9.445 0.748 1.00 1.42 C ATOM 424 O PRO A 29 -9.803 -10.562 0.930 1.00 2.67 O ATOM 425 CB PRO A 29 -12.705 -9.013 1.395 1.00 1.61 C ATOM 426 CG PRO A 29 -13.111 -7.654 0.824 1.00 1.67 C ATOM 427 CD PRO A 29 -12.273 -6.680 1.649 1.00 1.28 C ATOM 0 HA PRO A 29 -10.999 -9.354 2.707 1.00 1.24 H new ATOM 0 HB2 PRO A 29 -12.829 -9.808 0.660 1.00 1.61 H new ATOM 0 HB3 PRO A 29 -13.313 -9.280 2.259 1.00 1.61 H new ATOM 0 HG2 PRO A 29 -12.888 -7.579 -0.240 1.00 1.67 H new ATOM 0 HG3 PRO A 29 -14.179 -7.469 0.940 1.00 1.67 H new ATOM 0 HD2 PRO A 29 -12.082 -5.759 1.097 1.00 1.28 H new ATOM 0 HD3 PRO A 29 -12.786 -6.400 2.569 1.00 1.28 H new ATOM 435 N GLY A 30 -9.925 -8.686 -0.293 1.00 0.85 N ATOM 436 CA GLY A 30 -9.034 -9.125 -1.364 1.00 0.96 C ATOM 437 C GLY A 30 -7.534 -9.025 -1.080 1.00 0.83 C ATOM 438 O GLY A 30 -6.759 -9.214 -2.016 1.00 0.98 O ATOM 0 H GLY A 30 -10.258 -7.730 -0.415 1.00 0.85 H new ATOM 0 HA2 GLY A 30 -9.269 -10.163 -1.601 1.00 0.96 H new ATOM 0 HA3 GLY A 30 -9.254 -8.537 -2.255 1.00 0.96 H new ATOM 442 N VAL A 31 -7.118 -8.710 0.154 1.00 0.68 N ATOM 443 CA VAL A 31 -5.700 -8.667 0.571 1.00 0.67 C ATOM 444 C VAL A 31 -5.119 -10.087 0.555 1.00 0.82 C ATOM 445 O VAL A 31 -5.164 -10.826 1.535 1.00 1.33 O ATOM 446 CB VAL A 31 -5.506 -7.954 1.931 1.00 0.63 C ATOM 447 CG1 VAL A 31 -6.130 -8.644 3.160 1.00 0.93 C ATOM 448 CG2 VAL A 31 -4.007 -7.717 2.180 1.00 0.89 C ATOM 0 H VAL A 31 -7.764 -8.473 0.907 1.00 0.68 H new ATOM 0 HA VAL A 31 -5.144 -8.063 -0.146 1.00 0.67 H new ATOM 0 HB VAL A 31 -6.057 -7.019 1.831 1.00 0.63 H new ATOM 0 HG11 VAL A 31 -5.928 -8.051 4.052 1.00 0.93 H new ATOM 0 HG12 VAL A 31 -7.207 -8.732 3.020 1.00 0.93 H new ATOM 0 HG13 VAL A 31 -5.697 -9.637 3.279 1.00 0.93 H new ATOM 0 HG21 VAL A 31 -3.872 -7.215 3.138 1.00 0.89 H new ATOM 0 HG22 VAL A 31 -3.485 -8.674 2.195 1.00 0.89 H new ATOM 0 HG23 VAL A 31 -3.600 -7.094 1.383 1.00 0.89 H new ATOM 458 N GLN A 32 -4.568 -10.480 -0.593 1.00 0.53 N ATOM 459 CA GLN A 32 -3.900 -11.778 -0.741 1.00 0.61 C ATOM 460 C GLN A 32 -2.426 -11.698 -0.330 1.00 0.67 C ATOM 461 O GLN A 32 -1.814 -12.740 -0.105 1.00 0.89 O ATOM 462 CB GLN A 32 -4.122 -12.358 -2.149 1.00 0.80 C ATOM 463 CG GLN A 32 -3.406 -11.600 -3.278 1.00 1.03 C ATOM 464 CD GLN A 32 -2.068 -12.183 -3.754 1.00 1.49 C ATOM 465 OE1 GLN A 32 -1.696 -12.026 -4.905 1.00 2.17 O ATOM 466 NE2 GLN A 32 -1.271 -12.842 -2.940 1.00 1.52 N ATOM 0 H GLN A 32 -4.570 -9.915 -1.442 1.00 0.53 H new ATOM 0 HA GLN A 32 -4.358 -12.486 -0.051 1.00 0.61 H new ATOM 0 HB2 GLN A 32 -3.786 -13.395 -2.157 1.00 0.80 H new ATOM 0 HB3 GLN A 32 -5.192 -12.368 -2.358 1.00 0.80 H new ATOM 0 HG2 GLN A 32 -4.079 -11.548 -4.134 1.00 1.03 H new ATOM 0 HG3 GLN A 32 -3.233 -10.576 -2.945 1.00 1.03 H new ATOM 0 HE21 GLN A 32 -1.546 -12.994 -1.970 1.00 1.52 H new ATOM 0 HE22 GLN A 32 -0.378 -13.200 -3.279 1.00 1.52 H new ATOM 475 N SER A 33 -1.861 -10.490 -0.216 1.00 0.59 N ATOM 476 CA SER A 33 -0.588 -10.171 0.454 1.00 0.74 C ATOM 477 C SER A 33 -0.302 -8.668 0.373 1.00 0.67 C ATOM 478 O SER A 33 -0.698 -8.031 -0.603 1.00 0.79 O ATOM 479 CB SER A 33 0.602 -10.953 -0.128 1.00 1.10 C ATOM 480 OG SER A 33 0.692 -12.221 0.490 1.00 1.52 O ATOM 0 H SER A 33 -2.303 -9.659 -0.610 1.00 0.59 H new ATOM 0 HA SER A 33 -0.701 -10.472 1.495 1.00 0.74 H new ATOM 0 HB2 SER A 33 0.479 -11.071 -1.205 1.00 1.10 H new ATOM 0 HB3 SER A 33 1.526 -10.396 0.028 1.00 1.10 H new ATOM 0 HG SER A 33 -0.124 -12.732 0.309 1.00 1.52 H new ATOM 486 N CYS A 34 0.416 -8.125 1.368 1.00 0.70 N ATOM 487 CA CYS A 34 1.034 -6.792 1.356 1.00 0.63 C ATOM 488 C CYS A 34 2.532 -6.918 1.659 1.00 0.70 C ATOM 489 O CYS A 34 2.890 -7.561 2.651 1.00 1.22 O ATOM 490 CB CYS A 34 0.411 -5.928 2.469 1.00 0.77 C ATOM 491 SG CYS A 34 -1.315 -5.528 2.133 1.00 1.39 S ATOM 0 H CYS A 34 0.589 -8.625 2.240 1.00 0.70 H new ATOM 0 HA CYS A 34 0.874 -6.340 0.377 1.00 0.63 H new ATOM 0 HB2 CYS A 34 0.482 -6.457 3.420 1.00 0.77 H new ATOM 0 HB3 CYS A 34 0.982 -5.006 2.574 1.00 0.77 H new ATOM 0 HG CYS A 34 -1.956 -5.394 3.256 1.00 1.39 H new ATOM 497 N GLN A 35 3.384 -6.304 0.841 1.00 0.40 N ATOM 498 CA GLN A 35 4.787 -6.054 1.159 1.00 0.51 C ATOM 499 C GLN A 35 5.216 -4.697 0.583 1.00 0.44 C ATOM 500 O GLN A 35 5.181 -4.502 -0.632 1.00 0.52 O ATOM 501 CB GLN A 35 5.700 -7.161 0.592 1.00 0.68 C ATOM 502 CG GLN A 35 5.798 -8.432 1.453 1.00 1.11 C ATOM 503 CD GLN A 35 4.992 -9.614 0.916 1.00 1.50 C ATOM 504 OE1 GLN A 35 5.421 -10.332 0.030 1.00 2.07 O ATOM 505 NE2 GLN A 35 3.825 -9.899 1.453 1.00 2.25 N ATOM 0 H GLN A 35 3.112 -5.960 -0.080 1.00 0.40 H new ATOM 0 HA GLN A 35 4.888 -6.049 2.244 1.00 0.51 H new ATOM 0 HB2 GLN A 35 5.337 -7.439 -0.397 1.00 0.68 H new ATOM 0 HB3 GLN A 35 6.702 -6.752 0.460 1.00 0.68 H new ATOM 0 HG2 GLN A 35 6.845 -8.725 1.530 1.00 1.11 H new ATOM 0 HG3 GLN A 35 5.456 -8.201 2.462 1.00 1.11 H new ATOM 0 HE21 GLN A 35 3.448 -9.311 2.196 1.00 2.25 H new ATOM 0 HE22 GLN A 35 3.297 -10.708 1.126 1.00 2.25 H new ATOM 514 N VAL A 36 5.678 -3.793 1.447 1.00 0.58 N ATOM 515 CA VAL A 36 6.476 -2.602 1.130 1.00 0.47 C ATOM 516 C VAL A 36 7.953 -2.892 1.415 1.00 0.42 C ATOM 517 O VAL A 36 8.279 -3.597 2.372 1.00 0.55 O ATOM 518 CB VAL A 36 6.018 -1.328 1.891 1.00 0.71 C ATOM 519 CG1 VAL A 36 4.503 -1.088 1.779 1.00 2.10 C ATOM 520 CG2 VAL A 36 6.424 -1.293 3.376 1.00 2.14 C ATOM 0 H VAL A 36 5.496 -3.875 2.447 1.00 0.58 H new ATOM 0 HA VAL A 36 6.327 -2.388 0.072 1.00 0.47 H new ATOM 0 HB VAL A 36 6.553 -0.523 1.387 1.00 0.71 H new ATOM 0 HG11 VAL A 36 4.236 -0.185 2.329 1.00 2.10 H new ATOM 0 HG12 VAL A 36 4.230 -0.969 0.730 1.00 2.10 H new ATOM 0 HG13 VAL A 36 3.968 -1.940 2.199 1.00 2.10 H new ATOM 0 HG21 VAL A 36 6.064 -0.370 3.830 1.00 2.14 H new ATOM 0 HG22 VAL A 36 5.986 -2.146 3.893 1.00 2.14 H new ATOM 0 HG23 VAL A 36 7.510 -1.338 3.457 1.00 2.14 H new ATOM 530 N ASN A 37 8.859 -2.331 0.612 1.00 0.42 N ATOM 531 CA ASN A 37 10.294 -2.452 0.850 1.00 0.44 C ATOM 532 C ASN A 37 10.856 -1.122 1.356 1.00 0.50 C ATOM 533 O ASN A 37 11.200 -0.245 0.561 1.00 0.57 O ATOM 534 CB ASN A 37 11.011 -2.950 -0.409 1.00 0.52 C ATOM 535 CG ASN A 37 12.418 -3.390 -0.054 1.00 0.78 C ATOM 536 OD1 ASN A 37 13.335 -2.583 0.010 1.00 0.92 O ATOM 537 ND2 ASN A 37 12.609 -4.661 0.242 1.00 1.36 N ATOM 0 H ASN A 37 8.619 -1.784 -0.215 1.00 0.42 H new ATOM 0 HA ASN A 37 10.469 -3.197 1.627 1.00 0.44 H new ATOM 0 HB2 ASN A 37 10.460 -3.781 -0.849 1.00 0.52 H new ATOM 0 HB3 ASN A 37 11.045 -2.158 -1.157 1.00 0.52 H new ATOM 0 HD21 ASN A 37 13.533 -4.984 0.530 1.00 1.36 H new ATOM 0 HD22 ASN A 37 11.833 -5.320 0.183 1.00 1.36 H new ATOM 544 N PHE A 38 10.981 -0.979 2.682 1.00 0.57 N ATOM 545 CA PHE A 38 11.449 0.245 3.342 1.00 0.69 C ATOM 546 C PHE A 38 12.981 0.425 3.242 1.00 0.84 C ATOM 547 O PHE A 38 13.675 0.638 4.232 1.00 1.16 O ATOM 548 CB PHE A 38 10.885 0.306 4.775 1.00 0.77 C ATOM 549 CG PHE A 38 10.846 1.721 5.321 1.00 0.99 C ATOM 550 CD1 PHE A 38 9.858 2.614 4.861 1.00 2.04 C ATOM 551 CD2 PHE A 38 11.834 2.174 6.217 1.00 2.59 C ATOM 552 CE1 PHE A 38 9.876 3.960 5.265 1.00 2.67 C ATOM 553 CE2 PHE A 38 11.855 3.520 6.617 1.00 3.18 C ATOM 554 CZ PHE A 38 10.885 4.415 6.133 1.00 2.71 C ATOM 0 H PHE A 38 10.755 -1.726 3.338 1.00 0.57 H new ATOM 0 HA PHE A 38 11.057 1.112 2.811 1.00 0.69 H new ATOM 0 HB2 PHE A 38 9.878 -0.112 4.785 1.00 0.77 H new ATOM 0 HB3 PHE A 38 11.495 -0.317 5.430 1.00 0.77 H new ATOM 0 HD1 PHE A 38 9.084 2.263 4.195 1.00 2.04 H new ATOM 0 HD2 PHE A 38 12.575 1.486 6.596 1.00 2.59 H new ATOM 0 HE1 PHE A 38 9.118 4.642 4.910 1.00 2.67 H new ATOM 0 HE2 PHE A 38 12.618 3.868 7.298 1.00 3.18 H new ATOM 0 HZ PHE A 38 10.915 5.453 6.428 1.00 2.71 H new ATOM 564 N ALA A 39 13.502 0.310 2.019 1.00 0.72 N ATOM 565 CA ALA A 39 14.885 0.554 1.608 1.00 0.82 C ATOM 566 C ALA A 39 14.956 0.934 0.116 1.00 0.76 C ATOM 567 O ALA A 39 15.687 1.851 -0.241 1.00 0.90 O ATOM 568 CB ALA A 39 15.726 -0.694 1.913 1.00 0.88 C ATOM 0 H ALA A 39 12.923 0.022 1.230 1.00 0.72 H new ATOM 0 HA ALA A 39 15.289 1.396 2.169 1.00 0.82 H new ATOM 0 HB1 ALA A 39 16.758 -0.520 1.609 1.00 0.88 H new ATOM 0 HB2 ALA A 39 15.692 -0.903 2.982 1.00 0.88 H new ATOM 0 HB3 ALA A 39 15.325 -1.546 1.364 1.00 0.88 H new ATOM 574 N LEU A 40 14.168 0.282 -0.753 1.00 0.63 N ATOM 575 CA LEU A 40 14.090 0.518 -2.185 1.00 0.60 C ATOM 576 C LEU A 40 12.652 0.966 -2.585 1.00 0.56 C ATOM 577 O LEU A 40 12.154 0.658 -3.663 1.00 0.68 O ATOM 578 CB LEU A 40 14.673 -0.795 -2.761 1.00 0.60 C ATOM 579 CG LEU A 40 14.456 -1.088 -4.236 1.00 0.65 C ATOM 580 CD1 LEU A 40 14.960 0.027 -5.165 1.00 0.74 C ATOM 581 CD2 LEU A 40 15.106 -2.426 -4.618 1.00 0.78 C ATOM 0 H LEU A 40 13.539 -0.461 -0.450 1.00 0.63 H new ATOM 0 HA LEU A 40 14.658 1.352 -2.596 1.00 0.60 H new ATOM 0 HB2 LEU A 40 15.747 -0.792 -2.576 1.00 0.60 H new ATOM 0 HB3 LEU A 40 14.254 -1.624 -2.191 1.00 0.60 H new ATOM 0 HG LEU A 40 13.377 -1.145 -4.378 1.00 0.65 H new ATOM 0 HD11 LEU A 40 14.772 -0.251 -6.202 1.00 0.74 H new ATOM 0 HD12 LEU A 40 14.436 0.955 -4.937 1.00 0.74 H new ATOM 0 HD13 LEU A 40 16.030 0.169 -5.016 1.00 0.74 H new ATOM 0 HD21 LEU A 40 14.941 -2.621 -5.678 1.00 0.78 H new ATOM 0 HD22 LEU A 40 16.177 -2.380 -4.419 1.00 0.78 H new ATOM 0 HD23 LEU A 40 14.662 -3.228 -4.028 1.00 0.78 H new ATOM 593 N GLU A 41 11.954 1.663 -1.677 1.00 0.57 N ATOM 594 CA GLU A 41 10.756 2.508 -1.891 1.00 0.61 C ATOM 595 C GLU A 41 9.491 1.834 -2.465 1.00 0.51 C ATOM 596 O GLU A 41 8.472 2.506 -2.650 1.00 0.60 O ATOM 597 CB GLU A 41 11.103 3.719 -2.771 1.00 0.86 C ATOM 598 CG GLU A 41 12.125 4.673 -2.143 1.00 1.15 C ATOM 599 CD GLU A 41 12.168 5.977 -2.938 1.00 1.47 C ATOM 600 OE1 GLU A 41 12.167 5.868 -4.188 1.00 1.98 O ATOM 601 OE2 GLU A 41 12.192 7.052 -2.299 1.00 2.46 O ATOM 0 H GLU A 41 12.229 1.654 -0.695 1.00 0.57 H new ATOM 0 HA GLU A 41 10.482 2.786 -0.873 1.00 0.61 H new ATOM 0 HB2 GLU A 41 11.492 3.363 -3.725 1.00 0.86 H new ATOM 0 HB3 GLU A 41 10.189 4.273 -2.986 1.00 0.86 H new ATOM 0 HG2 GLU A 41 11.858 4.877 -1.106 1.00 1.15 H new ATOM 0 HG3 GLU A 41 13.111 4.209 -2.133 1.00 1.15 H new ATOM 608 N GLN A 42 9.518 0.548 -2.812 1.00 0.48 N ATOM 609 CA GLN A 42 8.385 -0.071 -3.492 1.00 0.48 C ATOM 610 C GLN A 42 7.273 -0.500 -2.535 1.00 0.43 C ATOM 611 O GLN A 42 7.495 -0.709 -1.343 1.00 0.56 O ATOM 612 CB GLN A 42 8.819 -1.279 -4.334 1.00 0.52 C ATOM 613 CG GLN A 42 9.066 -2.531 -3.455 1.00 0.61 C ATOM 614 CD GLN A 42 10.250 -3.373 -3.890 1.00 0.44 C ATOM 615 OE1 GLN A 42 10.154 -4.555 -4.152 1.00 1.20 O ATOM 616 NE2 GLN A 42 11.434 -2.802 -3.930 1.00 0.84 N ATOM 0 H GLN A 42 10.303 -0.078 -2.635 1.00 0.48 H new ATOM 0 HA GLN A 42 7.986 0.704 -4.147 1.00 0.48 H new ATOM 0 HB2 GLN A 42 8.051 -1.501 -5.075 1.00 0.52 H new ATOM 0 HB3 GLN A 42 9.729 -1.033 -4.881 1.00 0.52 H new ATOM 0 HG2 GLN A 42 9.220 -2.212 -2.424 1.00 0.61 H new ATOM 0 HG3 GLN A 42 8.170 -3.151 -3.466 1.00 0.61 H new ATOM 0 HE21 GLN A 42 11.529 -1.810 -3.712 1.00 0.84 H new ATOM 0 HE22 GLN A 42 12.257 -3.351 -4.179 1.00 0.84 H new ATOM 625 N ALA A 43 6.129 -0.816 -3.133 1.00 0.34 N ATOM 626 CA ALA A 43 5.177 -1.782 -2.607 1.00 0.39 C ATOM 627 C ALA A 43 4.787 -2.804 -3.681 1.00 0.55 C ATOM 628 O ALA A 43 4.792 -2.492 -4.873 1.00 0.81 O ATOM 629 CB ALA A 43 3.968 -1.038 -2.033 1.00 0.42 C ATOM 0 H ALA A 43 5.834 -0.398 -4.015 1.00 0.34 H new ATOM 0 HA ALA A 43 5.635 -2.351 -1.798 1.00 0.39 H new ATOM 0 HB1 ALA A 43 3.252 -1.758 -1.638 1.00 0.42 H new ATOM 0 HB2 ALA A 43 4.295 -0.375 -1.232 1.00 0.42 H new ATOM 0 HB3 ALA A 43 3.495 -0.451 -2.820 1.00 0.42 H new ATOM 635 N VAL A 44 4.409 -4.002 -3.240 1.00 0.47 N ATOM 636 CA VAL A 44 3.617 -4.956 -4.011 1.00 0.47 C ATOM 637 C VAL A 44 2.416 -5.360 -3.168 1.00 0.46 C ATOM 638 O VAL A 44 2.568 -5.736 -2.003 1.00 0.51 O ATOM 639 CB VAL A 44 4.435 -6.177 -4.493 1.00 0.50 C ATOM 640 CG1 VAL A 44 5.083 -7.005 -3.370 1.00 0.50 C ATOM 641 CG2 VAL A 44 3.586 -7.089 -5.393 1.00 0.54 C ATOM 0 H VAL A 44 4.652 -4.345 -2.311 1.00 0.47 H new ATOM 0 HA VAL A 44 3.280 -4.477 -4.930 1.00 0.47 H new ATOM 0 HB VAL A 44 5.260 -5.749 -5.063 1.00 0.50 H new ATOM 0 HG11 VAL A 44 5.635 -7.839 -3.805 1.00 0.50 H new ATOM 0 HG12 VAL A 44 5.767 -6.375 -2.801 1.00 0.50 H new ATOM 0 HG13 VAL A 44 4.307 -7.389 -2.707 1.00 0.50 H new ATOM 0 HG21 VAL A 44 4.185 -7.940 -5.718 1.00 0.54 H new ATOM 0 HG22 VAL A 44 2.720 -7.447 -4.835 1.00 0.54 H new ATOM 0 HG23 VAL A 44 3.249 -6.528 -6.265 1.00 0.54 H new ATOM 651 N VAL A 45 1.218 -5.249 -3.746 1.00 0.55 N ATOM 652 CA VAL A 45 -0.031 -5.646 -3.075 1.00 0.52 C ATOM 653 C VAL A 45 -1.057 -6.100 -4.108 1.00 0.50 C ATOM 654 O VAL A 45 -1.331 -5.383 -5.068 1.00 0.55 O ATOM 655 CB VAL A 45 -0.670 -4.504 -2.238 1.00 0.64 C ATOM 656 CG1 VAL A 45 -1.785 -5.022 -1.336 1.00 0.81 C ATOM 657 CG2 VAL A 45 0.304 -3.700 -1.355 1.00 1.02 C ATOM 0 H VAL A 45 1.082 -4.883 -4.688 1.00 0.55 H new ATOM 0 HA VAL A 45 0.239 -6.455 -2.396 1.00 0.52 H new ATOM 0 HB VAL A 45 -1.052 -3.828 -3.003 1.00 0.64 H new ATOM 0 HG11 VAL A 45 -2.207 -4.194 -0.767 1.00 0.81 H new ATOM 0 HG12 VAL A 45 -2.565 -5.477 -1.946 1.00 0.81 H new ATOM 0 HG13 VAL A 45 -1.381 -5.766 -0.649 1.00 0.81 H new ATOM 0 HG21 VAL A 45 -0.246 -2.929 -0.815 1.00 1.02 H new ATOM 0 HG22 VAL A 45 0.786 -4.369 -0.642 1.00 1.02 H new ATOM 0 HG23 VAL A 45 1.062 -3.232 -1.983 1.00 1.02 H new ATOM 667 N SER A 46 -1.700 -7.242 -3.850 1.00 0.51 N ATOM 668 CA SER A 46 -3.042 -7.505 -4.387 1.00 0.58 C ATOM 669 C SER A 46 -4.036 -7.451 -3.229 1.00 0.58 C ATOM 670 O SER A 46 -3.922 -8.208 -2.268 1.00 0.54 O ATOM 671 CB SER A 46 -3.139 -8.831 -5.149 1.00 0.85 C ATOM 672 OG SER A 46 -4.487 -9.298 -5.232 1.00 1.60 O ATOM 0 H SER A 46 -1.319 -7.995 -3.278 1.00 0.51 H new ATOM 0 HA SER A 46 -3.277 -6.738 -5.125 1.00 0.58 H new ATOM 0 HB2 SER A 46 -2.736 -8.703 -6.154 1.00 0.85 H new ATOM 0 HB3 SER A 46 -2.524 -9.582 -4.652 1.00 0.85 H new ATOM 0 HG SER A 46 -4.506 -10.160 -5.698 1.00 1.60 H new ATOM 678 N TYR A 47 -4.998 -6.545 -3.373 1.00 0.79 N ATOM 679 CA TYR A 47 -5.905 -6.039 -2.343 1.00 0.94 C ATOM 680 C TYR A 47 -7.307 -5.766 -2.909 1.00 1.08 C ATOM 681 O TYR A 47 -7.936 -4.747 -2.642 1.00 1.57 O ATOM 682 CB TYR A 47 -5.289 -4.858 -1.563 1.00 1.09 C ATOM 683 CG TYR A 47 -4.669 -3.626 -2.244 1.00 1.08 C ATOM 684 CD1 TYR A 47 -3.982 -3.658 -3.483 1.00 1.44 C ATOM 685 CD2 TYR A 47 -4.622 -2.430 -1.495 1.00 1.86 C ATOM 686 CE1 TYR A 47 -3.282 -2.536 -3.960 1.00 1.53 C ATOM 687 CE2 TYR A 47 -3.876 -1.325 -1.937 1.00 1.97 C ATOM 688 CZ TYR A 47 -3.213 -1.366 -3.179 1.00 1.37 C ATOM 689 OH TYR A 47 -2.524 -0.284 -3.629 1.00 1.58 O ATOM 0 H TYR A 47 -5.179 -6.112 -4.279 1.00 0.79 H new ATOM 0 HA TYR A 47 -6.045 -6.823 -1.598 1.00 0.94 H new ATOM 0 HB2 TYR A 47 -6.072 -4.483 -0.903 1.00 1.09 H new ATOM 0 HB3 TYR A 47 -4.512 -5.282 -0.927 1.00 1.09 H new ATOM 0 HD1 TYR A 47 -3.996 -4.563 -4.073 1.00 1.44 H new ATOM 0 HD2 TYR A 47 -5.169 -2.364 -0.566 1.00 1.86 H new ATOM 0 HE1 TYR A 47 -2.798 -2.571 -4.925 1.00 1.53 H new ATOM 0 HE2 TYR A 47 -3.810 -0.440 -1.322 1.00 1.97 H new ATOM 0 HH TYR A 47 -2.941 0.535 -3.288 1.00 1.58 H new ATOM 699 N HIS A 48 -7.777 -6.703 -3.733 1.00 0.92 N ATOM 700 CA HIS A 48 -9.042 -6.661 -4.464 1.00 1.03 C ATOM 701 C HIS A 48 -9.564 -8.103 -4.619 1.00 1.25 C ATOM 702 O HIS A 48 -8.776 -9.016 -4.873 1.00 1.69 O ATOM 703 CB HIS A 48 -8.833 -6.020 -5.857 1.00 1.16 C ATOM 704 CG HIS A 48 -7.779 -4.941 -5.954 1.00 1.15 C ATOM 705 ND1 HIS A 48 -8.005 -3.564 -5.981 1.00 1.06 N ATOM 706 CD2 HIS A 48 -6.436 -5.171 -6.033 1.00 1.31 C ATOM 707 CE1 HIS A 48 -6.791 -2.995 -6.013 1.00 1.17 C ATOM 708 NE2 HIS A 48 -5.831 -3.934 -6.073 1.00 1.36 N ATOM 0 H HIS A 48 -7.255 -7.560 -3.918 1.00 0.92 H new ATOM 0 HA HIS A 48 -9.767 -6.059 -3.916 1.00 1.03 H new ATOM 0 HB2 HIS A 48 -8.576 -6.811 -6.561 1.00 1.16 H new ATOM 0 HB3 HIS A 48 -9.783 -5.598 -6.184 1.00 1.16 H new ATOM 0 HD2 HIS A 48 -5.945 -6.132 -6.059 1.00 1.31 H new ATOM 0 HE1 HIS A 48 -6.610 -1.930 -5.993 1.00 1.17 H new ATOM 0 HE2 HIS A 48 -4.828 -3.761 -6.137 1.00 1.36 H new ATOM 716 N GLY A 49 -10.868 -8.330 -4.476 1.00 1.40 N ATOM 717 CA GLY A 49 -11.552 -9.565 -4.891 1.00 1.79 C ATOM 718 C GLY A 49 -12.533 -9.305 -6.033 1.00 1.70 C ATOM 719 O GLY A 49 -12.675 -10.122 -6.943 1.00 2.54 O ATOM 0 H GLY A 49 -11.499 -7.646 -4.058 1.00 1.40 H new ATOM 0 HA2 GLY A 49 -10.814 -10.303 -5.205 1.00 1.79 H new ATOM 0 HA3 GLY A 49 -12.086 -9.990 -4.041 1.00 1.79 H new ATOM 723 N GLU A 50 -13.140 -8.122 -6.028 1.00 1.65 N ATOM 724 CA GLU A 50 -14.473 -7.833 -6.549 1.00 1.82 C ATOM 725 C GLU A 50 -14.465 -6.524 -7.368 1.00 1.86 C ATOM 726 O GLU A 50 -13.650 -6.400 -8.289 1.00 2.67 O ATOM 727 CB GLU A 50 -15.490 -7.885 -5.373 1.00 2.38 C ATOM 728 CG GLU A 50 -15.256 -6.965 -4.150 1.00 3.62 C ATOM 729 CD GLU A 50 -13.960 -7.293 -3.409 1.00 4.47 C ATOM 730 OE1 GLU A 50 -13.923 -8.314 -2.698 1.00 5.22 O ATOM 731 OE2 GLU A 50 -12.943 -6.622 -3.704 1.00 5.09 O ATOM 0 H GLU A 50 -12.690 -7.293 -5.639 1.00 1.65 H new ATOM 0 HA GLU A 50 -14.797 -8.589 -7.264 1.00 1.82 H new ATOM 0 HB2 GLU A 50 -16.476 -7.654 -5.777 1.00 2.38 H new ATOM 0 HB3 GLU A 50 -15.526 -8.913 -5.012 1.00 2.38 H new ATOM 0 HG2 GLU A 50 -15.229 -5.927 -4.481 1.00 3.62 H new ATOM 0 HG3 GLU A 50 -16.097 -7.059 -3.463 1.00 3.62 H new ATOM 738 N THR A 51 -15.374 -5.580 -7.077 1.00 1.95 N ATOM 739 CA THR A 51 -15.517 -4.282 -7.748 1.00 2.32 C ATOM 740 C THR A 51 -14.405 -3.342 -7.290 1.00 2.13 C ATOM 741 O THR A 51 -14.408 -2.928 -6.135 1.00 2.72 O ATOM 742 CB THR A 51 -16.891 -3.670 -7.429 1.00 2.95 C ATOM 743 OG1 THR A 51 -17.895 -4.615 -7.715 1.00 3.86 O ATOM 744 CG2 THR A 51 -17.173 -2.423 -8.268 1.00 4.14 C ATOM 0 H THR A 51 -16.060 -5.709 -6.333 1.00 1.95 H new ATOM 0 HA THR A 51 -15.441 -4.427 -8.826 1.00 2.32 H new ATOM 0 HB THR A 51 -16.887 -3.391 -6.375 1.00 2.95 H new ATOM 0 HG1 THR A 51 -18.773 -4.231 -7.512 1.00 3.86 H new ATOM 0 HG21 THR A 51 -18.154 -2.025 -8.009 1.00 4.14 H new ATOM 0 HG22 THR A 51 -16.411 -1.670 -8.068 1.00 4.14 H new ATOM 0 HG23 THR A 51 -17.155 -2.685 -9.326 1.00 4.14 H new ATOM 752 N THR A 52 -13.497 -3.000 -8.216 1.00 2.44 N ATOM 753 CA THR A 52 -12.251 -2.215 -8.071 1.00 2.62 C ATOM 754 C THR A 52 -12.231 -1.265 -6.853 1.00 1.40 C ATOM 755 O THR A 52 -12.619 -0.099 -6.998 1.00 1.98 O ATOM 756 CB THR A 52 -11.992 -1.451 -9.382 1.00 4.21 C ATOM 757 OG1 THR A 52 -12.182 -2.316 -10.486 1.00 5.60 O ATOM 758 CG2 THR A 52 -10.556 -0.926 -9.452 1.00 4.80 C ATOM 0 H THR A 52 -13.625 -3.293 -9.184 1.00 2.44 H new ATOM 0 HA THR A 52 -11.446 -2.923 -7.875 1.00 2.62 H new ATOM 0 HB THR A 52 -12.689 -0.613 -9.410 1.00 4.21 H new ATOM 0 HG1 THR A 52 -12.018 -1.825 -11.318 1.00 5.60 H new ATOM 0 HG21 THR A 52 -10.409 -0.392 -10.391 1.00 4.80 H new ATOM 0 HG22 THR A 52 -10.375 -0.249 -8.617 1.00 4.80 H new ATOM 0 HG23 THR A 52 -9.860 -1.763 -9.398 1.00 4.80 H new ATOM 766 N PRO A 53 -11.776 -1.719 -5.663 1.00 1.58 N ATOM 767 CA PRO A 53 -11.845 -0.931 -4.438 1.00 2.31 C ATOM 768 C PRO A 53 -10.803 0.191 -4.460 1.00 1.78 C ATOM 769 O PRO A 53 -9.618 -0.028 -4.234 1.00 1.63 O ATOM 770 CB PRO A 53 -11.636 -1.930 -3.292 1.00 3.93 C ATOM 771 CG PRO A 53 -10.799 -3.038 -3.926 1.00 4.19 C ATOM 772 CD PRO A 53 -11.321 -3.072 -5.361 1.00 2.97 C ATOM 0 HA PRO A 53 -12.802 -0.423 -4.319 1.00 2.31 H new ATOM 0 HB2 PRO A 53 -11.120 -1.470 -2.449 1.00 3.93 H new ATOM 0 HB3 PRO A 53 -12.585 -2.311 -2.915 1.00 3.93 H new ATOM 0 HG2 PRO A 53 -9.733 -2.813 -3.888 1.00 4.19 H new ATOM 0 HG3 PRO A 53 -10.941 -3.993 -3.420 1.00 4.19 H new ATOM 0 HD2 PRO A 53 -10.538 -3.382 -6.053 1.00 2.97 H new ATOM 0 HD3 PRO A 53 -12.137 -3.788 -5.461 1.00 2.97 H new ATOM 780 N GLN A 54 -11.254 1.425 -4.703 1.00 1.66 N ATOM 781 CA GLN A 54 -10.392 2.614 -4.790 1.00 1.37 C ATOM 782 C GLN A 54 -9.684 2.961 -3.462 1.00 1.02 C ATOM 783 O GLN A 54 -8.687 3.679 -3.456 1.00 1.01 O ATOM 784 CB GLN A 54 -11.226 3.769 -5.366 1.00 1.74 C ATOM 785 CG GLN A 54 -10.375 4.937 -5.887 1.00 2.42 C ATOM 786 CD GLN A 54 -11.211 5.859 -6.771 1.00 3.03 C ATOM 787 OE1 GLN A 54 -11.881 6.764 -6.312 1.00 2.79 O ATOM 788 NE2 GLN A 54 -11.252 5.641 -8.068 1.00 4.55 N ATOM 0 H GLN A 54 -12.242 1.632 -4.847 1.00 1.66 H new ATOM 0 HA GLN A 54 -9.561 2.406 -5.464 1.00 1.37 H new ATOM 0 HB2 GLN A 54 -11.845 3.390 -6.179 1.00 1.74 H new ATOM 0 HB3 GLN A 54 -11.903 4.138 -4.595 1.00 1.74 H new ATOM 0 HG2 GLN A 54 -9.968 5.500 -5.047 1.00 2.42 H new ATOM 0 HG3 GLN A 54 -9.527 4.552 -6.453 1.00 2.42 H new ATOM 0 HE21 GLN A 54 -10.699 4.888 -8.476 1.00 4.55 H new ATOM 0 HE22 GLN A 54 -11.837 6.225 -8.665 1.00 4.55 H new ATOM 797 N ILE A 55 -10.113 2.331 -2.362 1.00 1.01 N ATOM 798 CA ILE A 55 -9.395 2.157 -1.089 1.00 0.95 C ATOM 799 C ILE A 55 -7.923 1.730 -1.298 1.00 0.85 C ATOM 800 O ILE A 55 -7.084 1.989 -0.438 1.00 0.88 O ATOM 801 CB ILE A 55 -10.170 1.147 -0.190 1.00 1.19 C ATOM 802 CG1 ILE A 55 -11.619 1.587 0.156 1.00 1.46 C ATOM 803 CG2 ILE A 55 -9.451 0.901 1.153 1.00 1.31 C ATOM 804 CD1 ILE A 55 -12.667 1.424 -0.957 1.00 2.22 C ATOM 0 H ILE A 55 -11.036 1.898 -2.334 1.00 1.01 H new ATOM 0 HA ILE A 55 -9.355 3.121 -0.583 1.00 0.95 H new ATOM 0 HB ILE A 55 -10.206 0.241 -0.796 1.00 1.19 H new ATOM 0 HG12 ILE A 55 -11.951 1.017 1.024 1.00 1.46 H new ATOM 0 HG13 ILE A 55 -11.596 2.636 0.453 1.00 1.46 H new ATOM 0 HG21 ILE A 55 -10.025 0.191 1.748 1.00 1.31 H new ATOM 0 HG22 ILE A 55 -8.457 0.496 0.965 1.00 1.31 H new ATOM 0 HG23 ILE A 55 -9.362 1.842 1.696 1.00 1.31 H new ATOM 0 HD11 ILE A 55 -13.637 1.764 -0.596 1.00 2.22 H new ATOM 0 HD12 ILE A 55 -12.374 2.018 -1.823 1.00 2.22 H new ATOM 0 HD13 ILE A 55 -12.734 0.374 -1.243 1.00 2.22 H new ATOM 816 N LEU A 56 -7.571 1.169 -2.465 1.00 0.88 N ATOM 817 CA LEU A 56 -6.196 0.907 -2.900 1.00 0.92 C ATOM 818 C LEU A 56 -5.238 2.099 -2.697 1.00 0.82 C ATOM 819 O LEU A 56 -4.049 1.880 -2.440 1.00 0.92 O ATOM 820 CB LEU A 56 -6.221 0.378 -4.357 1.00 1.14 C ATOM 821 CG LEU A 56 -6.501 1.418 -5.471 1.00 1.24 C ATOM 822 CD1 LEU A 56 -5.210 2.073 -5.996 1.00 1.44 C ATOM 823 CD2 LEU A 56 -7.198 0.762 -6.674 1.00 1.55 C ATOM 0 H LEU A 56 -8.263 0.876 -3.154 1.00 0.88 H new ATOM 0 HA LEU A 56 -5.775 0.136 -2.254 1.00 0.92 H new ATOM 0 HB2 LEU A 56 -5.260 -0.092 -4.565 1.00 1.14 H new ATOM 0 HB3 LEU A 56 -6.979 -0.403 -4.422 1.00 1.14 H new ATOM 0 HG LEU A 56 -7.138 2.176 -5.015 1.00 1.24 H new ATOM 0 HD11 LEU A 56 -5.459 2.794 -6.775 1.00 1.44 H new ATOM 0 HD12 LEU A 56 -4.702 2.583 -5.178 1.00 1.44 H new ATOM 0 HD13 LEU A 56 -4.554 1.306 -6.408 1.00 1.44 H new ATOM 0 HD21 LEU A 56 -7.383 1.514 -7.441 1.00 1.55 H new ATOM 0 HD22 LEU A 56 -6.560 -0.023 -7.081 1.00 1.55 H new ATOM 0 HD23 LEU A 56 -8.146 0.329 -6.354 1.00 1.55 H new ATOM 835 N THR A 57 -5.748 3.338 -2.810 1.00 0.77 N ATOM 836 CA THR A 57 -4.989 4.577 -2.536 1.00 0.79 C ATOM 837 C THR A 57 -5.249 5.194 -1.160 1.00 0.74 C ATOM 838 O THR A 57 -4.339 5.825 -0.629 1.00 0.87 O ATOM 839 CB THR A 57 -5.159 5.595 -3.668 1.00 0.95 C ATOM 840 OG1 THR A 57 -4.048 6.454 -3.620 1.00 2.33 O ATOM 841 CG2 THR A 57 -6.427 6.448 -3.600 1.00 2.36 C ATOM 0 H THR A 57 -6.711 3.512 -3.098 1.00 0.77 H new ATOM 0 HA THR A 57 -3.942 4.274 -2.503 1.00 0.79 H new ATOM 0 HB THR A 57 -5.241 5.024 -4.593 1.00 0.95 H new ATOM 0 HG1 THR A 57 -4.120 7.122 -4.334 1.00 2.33 H new ATOM 0 HG21 THR A 57 -6.450 7.134 -4.446 1.00 2.36 H new ATOM 0 HG22 THR A 57 -7.303 5.801 -3.634 1.00 2.36 H new ATOM 0 HG23 THR A 57 -6.433 7.018 -2.671 1.00 2.36 H new ATOM 849 N ASP A 58 -6.417 4.984 -0.546 1.00 0.77 N ATOM 850 CA ASP A 58 -6.732 5.478 0.815 1.00 0.84 C ATOM 851 C ASP A 58 -5.640 5.073 1.809 1.00 0.69 C ATOM 852 O ASP A 58 -5.126 5.895 2.565 1.00 0.67 O ATOM 853 CB ASP A 58 -8.094 4.904 1.251 1.00 1.08 C ATOM 854 CG ASP A 58 -8.382 4.981 2.761 1.00 1.96 C ATOM 855 OD1 ASP A 58 -8.951 6.000 3.208 1.00 2.02 O ATOM 856 OD2 ASP A 58 -8.101 3.963 3.441 1.00 3.60 O ATOM 0 H ASP A 58 -7.182 4.464 -0.975 1.00 0.77 H new ATOM 0 HA ASP A 58 -6.779 6.567 0.800 1.00 0.84 H new ATOM 0 HB2 ASP A 58 -8.882 5.437 0.719 1.00 1.08 H new ATOM 0 HB3 ASP A 58 -8.148 3.861 0.939 1.00 1.08 H new ATOM 861 N ALA A 59 -5.200 3.815 1.730 1.00 0.69 N ATOM 862 CA ALA A 59 -4.249 3.277 2.685 1.00 0.74 C ATOM 863 C ALA A 59 -2.856 3.918 2.643 1.00 0.76 C ATOM 864 O ALA A 59 -2.197 3.895 3.678 1.00 1.01 O ATOM 865 CB ALA A 59 -4.196 1.753 2.518 1.00 0.95 C ATOM 0 H ALA A 59 -5.492 3.154 1.010 1.00 0.69 H new ATOM 0 HA ALA A 59 -4.609 3.534 3.681 1.00 0.74 H new ATOM 0 HB1 ALA A 59 -3.485 1.334 3.230 1.00 0.95 H new ATOM 0 HB2 ALA A 59 -5.185 1.332 2.702 1.00 0.95 H new ATOM 0 HB3 ALA A 59 -3.881 1.509 1.503 1.00 0.95 H new ATOM 871 N VAL A 60 -2.417 4.511 1.523 1.00 0.64 N ATOM 872 CA VAL A 60 -1.147 5.275 1.507 1.00 0.64 C ATOM 873 C VAL A 60 -1.323 6.678 2.103 1.00 0.62 C ATOM 874 O VAL A 60 -0.448 7.161 2.824 1.00 0.66 O ATOM 875 CB VAL A 60 -0.469 5.377 0.120 1.00 0.77 C ATOM 876 CG1 VAL A 60 0.119 4.028 -0.324 1.00 1.45 C ATOM 877 CG2 VAL A 60 -1.330 5.914 -1.029 1.00 1.98 C ATOM 0 H VAL A 60 -2.907 4.482 0.629 1.00 0.64 H new ATOM 0 HA VAL A 60 -0.475 4.689 2.134 1.00 0.64 H new ATOM 0 HB VAL A 60 0.306 6.122 0.298 1.00 0.77 H new ATOM 0 HG11 VAL A 60 0.587 4.139 -1.302 1.00 1.45 H new ATOM 0 HG12 VAL A 60 0.865 3.700 0.400 1.00 1.45 H new ATOM 0 HG13 VAL A 60 -0.677 3.286 -0.385 1.00 1.45 H new ATOM 0 HG21 VAL A 60 -0.741 5.936 -1.946 1.00 1.98 H new ATOM 0 HG22 VAL A 60 -2.195 5.266 -1.169 1.00 1.98 H new ATOM 0 HG23 VAL A 60 -1.668 6.922 -0.790 1.00 1.98 H new ATOM 887 N GLU A 61 -2.486 7.290 1.866 1.00 0.61 N ATOM 888 CA GLU A 61 -2.863 8.609 2.394 1.00 0.69 C ATOM 889 C GLU A 61 -2.988 8.585 3.931 1.00 0.69 C ATOM 890 O GLU A 61 -2.645 9.568 4.583 1.00 0.82 O ATOM 891 CB GLU A 61 -4.173 9.110 1.754 1.00 0.79 C ATOM 892 CG GLU A 61 -4.124 9.328 0.230 1.00 1.28 C ATOM 893 CD GLU A 61 -3.264 10.505 -0.248 1.00 1.27 C ATOM 894 OE1 GLU A 61 -2.731 11.291 0.567 1.00 2.33 O ATOM 895 OE2 GLU A 61 -3.105 10.648 -1.480 1.00 1.77 O ATOM 0 H GLU A 61 -3.213 6.872 1.286 1.00 0.61 H new ATOM 0 HA GLU A 61 -2.066 9.304 2.131 1.00 0.69 H new ATOM 0 HB2 GLU A 61 -4.963 8.393 1.976 1.00 0.79 H new ATOM 0 HB3 GLU A 61 -4.453 10.050 2.229 1.00 0.79 H new ATOM 0 HG2 GLU A 61 -3.751 8.416 -0.237 1.00 1.28 H new ATOM 0 HG3 GLU A 61 -5.142 9.476 -0.130 1.00 1.28 H new ATOM 902 N ARG A 62 -3.331 7.434 4.538 1.00 0.71 N ATOM 903 CA ARG A 62 -3.239 7.192 5.994 1.00 0.82 C ATOM 904 C ARG A 62 -1.886 7.600 6.613 1.00 0.79 C ATOM 905 O ARG A 62 -1.806 7.873 7.813 1.00 0.96 O ATOM 906 CB ARG A 62 -3.528 5.698 6.254 1.00 1.04 C ATOM 907 CG ARG A 62 -3.612 5.299 7.742 1.00 1.91 C ATOM 908 CD ARG A 62 -2.284 4.811 8.357 1.00 1.68 C ATOM 909 NE ARG A 62 -2.368 4.794 9.831 1.00 2.24 N ATOM 910 CZ ARG A 62 -2.719 3.777 10.611 1.00 1.75 C ATOM 911 NH1 ARG A 62 -2.980 2.580 10.128 1.00 2.51 N ATOM 912 NH2 ARG A 62 -2.785 3.934 11.920 1.00 2.45 N ATOM 0 H ARG A 62 -3.687 6.629 4.022 1.00 0.71 H new ATOM 0 HA ARG A 62 -3.978 7.827 6.482 1.00 0.82 H new ATOM 0 HB2 ARG A 62 -4.469 5.436 5.770 1.00 1.04 H new ATOM 0 HB3 ARG A 62 -2.748 5.104 5.778 1.00 1.04 H new ATOM 0 HG2 ARG A 62 -3.968 6.156 8.314 1.00 1.91 H new ATOM 0 HG3 ARG A 62 -4.358 4.511 7.851 1.00 1.91 H new ATOM 0 HD2 ARG A 62 -2.053 3.811 7.989 1.00 1.68 H new ATOM 0 HD3 ARG A 62 -1.470 5.463 8.041 1.00 1.68 H new ATOM 0 HE ARG A 62 -2.129 5.664 10.306 1.00 2.24 H new ATOM 0 HH11 ARG A 62 -2.916 2.410 9.124 1.00 2.51 H new ATOM 0 HH12 ARG A 62 -3.247 1.823 10.758 1.00 2.51 H new ATOM 0 HH21 ARG A 62 -2.566 4.839 12.337 1.00 2.45 H new ATOM 0 HH22 ARG A 62 -3.055 3.150 12.515 1.00 2.45 H new ATOM 926 N ALA A 63 -0.810 7.571 5.821 1.00 0.73 N ATOM 927 CA ALA A 63 0.542 7.963 6.224 1.00 0.94 C ATOM 928 C ALA A 63 0.982 9.352 5.710 1.00 0.99 C ATOM 929 O ALA A 63 2.069 9.803 6.070 1.00 1.29 O ATOM 930 CB ALA A 63 1.489 6.856 5.740 1.00 1.01 C ATOM 0 H ALA A 63 -0.859 7.264 4.850 1.00 0.73 H new ATOM 0 HA ALA A 63 0.567 8.069 7.309 1.00 0.94 H new ATOM 0 HB1 ALA A 63 2.513 7.105 6.019 1.00 1.01 H new ATOM 0 HB2 ALA A 63 1.208 5.909 6.201 1.00 1.01 H new ATOM 0 HB3 ALA A 63 1.420 6.766 4.656 1.00 1.01 H new ATOM 936 N GLY A 64 0.196 10.012 4.848 1.00 0.87 N ATOM 937 CA GLY A 64 0.600 11.219 4.118 1.00 1.06 C ATOM 938 C GLY A 64 1.443 10.868 2.895 1.00 0.94 C ATOM 939 O GLY A 64 2.040 11.743 2.265 1.00 1.10 O ATOM 0 H GLY A 64 -0.756 9.715 4.635 1.00 0.87 H new ATOM 0 HA2 GLY A 64 -0.286 11.772 3.806 1.00 1.06 H new ATOM 0 HA3 GLY A 64 1.168 11.874 4.779 1.00 1.06 H new ATOM 943 N TYR A 65 1.516 9.575 2.573 1.00 0.76 N ATOM 944 CA TYR A 65 2.317 9.013 1.496 1.00 0.74 C ATOM 945 C TYR A 65 1.454 8.749 0.246 1.00 0.73 C ATOM 946 O TYR A 65 0.225 8.738 0.317 1.00 0.92 O ATOM 947 CB TYR A 65 3.067 7.759 1.994 1.00 0.75 C ATOM 948 CG TYR A 65 3.948 7.885 3.243 1.00 0.84 C ATOM 949 CD1 TYR A 65 4.337 9.136 3.770 1.00 2.15 C ATOM 950 CD2 TYR A 65 4.404 6.713 3.886 1.00 2.07 C ATOM 951 CE1 TYR A 65 5.111 9.218 4.942 1.00 2.22 C ATOM 952 CE2 TYR A 65 5.207 6.782 5.043 1.00 2.19 C ATOM 953 CZ TYR A 65 5.551 8.040 5.583 1.00 1.23 C ATOM 954 OH TYR A 65 6.349 8.122 6.683 1.00 1.48 O ATOM 0 H TYR A 65 0.993 8.863 3.082 1.00 0.76 H new ATOM 0 HA TYR A 65 3.073 9.736 1.191 1.00 0.74 H new ATOM 0 HB2 TYR A 65 2.326 6.984 2.187 1.00 0.75 H new ATOM 0 HB3 TYR A 65 3.696 7.402 1.178 1.00 0.75 H new ATOM 0 HD1 TYR A 65 4.036 10.043 3.266 1.00 2.15 H new ATOM 0 HD2 TYR A 65 4.133 5.748 3.485 1.00 2.07 H new ATOM 0 HE1 TYR A 65 5.369 10.183 5.352 1.00 2.22 H new ATOM 0 HE2 TYR A 65 5.558 5.876 5.514 1.00 2.19 H new ATOM 0 HH TYR A 65 5.831 8.472 7.438 1.00 1.48 H new ATOM 964 N HIS A 66 2.079 8.589 -0.927 1.00 0.68 N ATOM 965 CA HIS A 66 1.402 8.687 -2.227 1.00 0.62 C ATOM 966 C HIS A 66 1.798 7.545 -3.154 1.00 0.63 C ATOM 967 O HIS A 66 2.949 7.119 -3.166 1.00 0.86 O ATOM 968 CB HIS A 66 1.730 10.065 -2.838 1.00 0.71 C ATOM 969 CG HIS A 66 1.030 11.161 -2.073 1.00 0.92 C ATOM 970 ND1 HIS A 66 1.515 11.851 -0.971 1.00 2.40 N ATOM 971 CD2 HIS A 66 -0.321 11.345 -2.101 1.00 1.25 C ATOM 972 CE1 HIS A 66 0.462 12.398 -0.328 1.00 2.53 C ATOM 973 NE2 HIS A 66 -0.662 12.103 -1.003 1.00 1.44 N ATOM 0 H HIS A 66 3.076 8.386 -1.002 1.00 0.68 H new ATOM 0 HA HIS A 66 0.324 8.598 -2.089 1.00 0.62 H new ATOM 0 HB2 HIS A 66 2.807 10.231 -2.819 1.00 0.71 H new ATOM 0 HB3 HIS A 66 1.422 10.089 -3.883 1.00 0.71 H new ATOM 0 HD2 HIS A 66 -1.001 10.965 -2.849 1.00 1.25 H new ATOM 0 HE1 HIS A 66 0.514 12.978 0.581 1.00 2.53 H new ATOM 0 HE2 HIS A 66 -1.606 12.391 -0.746 1.00 1.44 H new ATOM 982 N ALA A 67 0.849 7.053 -3.950 1.00 0.60 N ATOM 983 CA ALA A 67 1.037 5.909 -4.843 1.00 0.74 C ATOM 984 C ALA A 67 1.673 6.346 -6.178 1.00 0.93 C ATOM 985 O ALA A 67 1.073 7.101 -6.941 1.00 1.24 O ATOM 986 CB ALA A 67 -0.340 5.257 -5.038 1.00 0.87 C ATOM 0 H ALA A 67 -0.091 7.446 -3.993 1.00 0.60 H new ATOM 0 HA ALA A 67 1.729 5.186 -4.411 1.00 0.74 H new ATOM 0 HB1 ALA A 67 -0.245 4.396 -5.700 1.00 0.87 H new ATOM 0 HB2 ALA A 67 -0.728 4.931 -4.073 1.00 0.87 H new ATOM 0 HB3 ALA A 67 -1.026 5.980 -5.480 1.00 0.87 H new ATOM 992 N ARG A 68 2.885 5.857 -6.468 1.00 0.82 N ATOM 993 CA ARG A 68 3.716 6.277 -7.605 1.00 0.87 C ATOM 994 C ARG A 68 3.936 5.148 -8.611 1.00 0.77 C ATOM 995 O ARG A 68 4.492 4.088 -8.333 1.00 0.71 O ATOM 996 CB ARG A 68 5.038 6.836 -7.065 1.00 1.00 C ATOM 997 CG ARG A 68 6.309 6.725 -7.922 1.00 1.38 C ATOM 998 CD ARG A 68 6.469 7.697 -9.103 1.00 2.50 C ATOM 999 NE ARG A 68 7.594 7.260 -9.955 1.00 3.27 N ATOM 1000 CZ ARG A 68 8.846 7.065 -9.542 1.00 3.78 C ATOM 1001 NH1 ARG A 68 9.337 7.615 -8.454 1.00 3.58 N ATOM 1002 NH2 ARG A 68 9.628 6.256 -10.224 1.00 5.14 N ATOM 0 H ARG A 68 3.329 5.135 -5.900 1.00 0.82 H new ATOM 0 HA ARG A 68 3.195 7.058 -8.158 1.00 0.87 H new ATOM 0 HB2 ARG A 68 4.882 7.892 -6.847 1.00 1.00 H new ATOM 0 HB3 ARG A 68 5.239 6.340 -6.115 1.00 1.00 H new ATOM 0 HG2 ARG A 68 7.168 6.854 -7.264 1.00 1.38 H new ATOM 0 HG3 ARG A 68 6.359 5.710 -8.316 1.00 1.38 H new ATOM 0 HD2 ARG A 68 5.549 7.731 -9.687 1.00 2.50 H new ATOM 0 HD3 ARG A 68 6.650 8.707 -8.734 1.00 2.50 H new ATOM 0 HE ARG A 68 7.396 7.094 -10.942 1.00 3.27 H new ATOM 0 HH11 ARG A 68 8.752 8.224 -7.882 1.00 3.58 H new ATOM 0 HH12 ARG A 68 10.303 7.433 -8.182 1.00 3.58 H new ATOM 0 HH21 ARG A 68 9.274 5.787 -11.058 1.00 5.14 H new ATOM 0 HH22 ARG A 68 10.588 6.098 -9.919 1.00 5.14 H new ATOM 1016 N VAL A 69 3.574 5.469 -9.843 1.00 0.90 N ATOM 1017 CA VAL A 69 3.768 4.626 -11.035 1.00 0.97 C ATOM 1018 C VAL A 69 5.216 4.708 -11.508 1.00 1.07 C ATOM 1019 O VAL A 69 5.759 5.790 -11.725 1.00 1.32 O ATOM 1020 CB VAL A 69 2.803 5.008 -12.184 1.00 1.31 C ATOM 1021 CG1 VAL A 69 3.055 4.167 -13.450 1.00 2.07 C ATOM 1022 CG2 VAL A 69 1.341 4.827 -11.742 1.00 2.89 C ATOM 0 H VAL A 69 3.119 6.356 -10.059 1.00 0.90 H new ATOM 0 HA VAL A 69 3.540 3.599 -10.749 1.00 0.97 H new ATOM 0 HB VAL A 69 2.991 6.055 -12.423 1.00 1.31 H new ATOM 0 HG11 VAL A 69 2.357 4.467 -14.231 1.00 2.07 H new ATOM 0 HG12 VAL A 69 4.076 4.327 -13.795 1.00 2.07 H new ATOM 0 HG13 VAL A 69 2.910 3.111 -13.220 1.00 2.07 H new ATOM 0 HG21 VAL A 69 0.677 5.100 -12.562 1.00 2.89 H new ATOM 0 HG22 VAL A 69 1.170 3.786 -11.468 1.00 2.89 H new ATOM 0 HG23 VAL A 69 1.139 5.467 -10.883 1.00 2.89 H new ATOM 1032 N LEU A 70 5.815 3.529 -11.677 1.00 1.06 N ATOM 1033 CA LEU A 70 7.188 3.330 -12.148 1.00 1.24 C ATOM 1034 C LEU A 70 7.278 2.646 -13.528 1.00 1.21 C ATOM 1035 O LEU A 70 8.362 2.287 -13.972 1.00 2.22 O ATOM 1036 CB LEU A 70 7.977 2.608 -11.032 1.00 1.30 C ATOM 1037 CG LEU A 70 7.330 1.366 -10.377 1.00 1.29 C ATOM 1038 CD1 LEU A 70 6.962 0.255 -11.370 1.00 1.71 C ATOM 1039 CD2 LEU A 70 8.271 0.793 -9.310 1.00 1.59 C ATOM 0 H LEU A 70 5.338 2.649 -11.482 1.00 1.06 H new ATOM 0 HA LEU A 70 7.649 4.300 -12.335 1.00 1.24 H new ATOM 0 HB2 LEU A 70 8.939 2.305 -11.445 1.00 1.30 H new ATOM 0 HB3 LEU A 70 8.182 3.333 -10.244 1.00 1.30 H new ATOM 0 HG LEU A 70 6.396 1.713 -9.935 1.00 1.29 H new ATOM 0 HD11 LEU A 70 6.514 -0.580 -10.832 1.00 1.71 H new ATOM 0 HD12 LEU A 70 6.250 0.640 -12.100 1.00 1.71 H new ATOM 0 HD13 LEU A 70 7.861 -0.085 -11.885 1.00 1.71 H new ATOM 0 HD21 LEU A 70 7.811 -0.082 -8.851 1.00 1.59 H new ATOM 0 HD22 LEU A 70 9.215 0.506 -9.774 1.00 1.59 H new ATOM 0 HD23 LEU A 70 8.457 1.548 -8.546 1.00 1.59 H new ATOM 1051 N LYS A 71 6.143 2.483 -14.219 1.00 2.49 N ATOM 1052 CA LYS A 71 6.038 1.877 -15.554 1.00 2.80 C ATOM 1053 C LYS A 71 4.999 2.614 -16.419 1.00 4.60 C ATOM 1054 O LYS A 71 3.946 2.079 -16.760 1.00 6.34 O ATOM 1055 CB LYS A 71 5.730 0.365 -15.441 1.00 4.02 C ATOM 1056 CG LYS A 71 6.984 -0.496 -15.223 1.00 4.46 C ATOM 1057 CD LYS A 71 6.653 -1.989 -15.054 1.00 6.36 C ATOM 1058 CE LYS A 71 5.780 -2.584 -16.174 1.00 6.86 C ATOM 1059 NZ LYS A 71 6.444 -2.558 -17.501 1.00 7.19 N ATOM 0 H LYS A 71 5.239 2.780 -13.851 1.00 2.49 H new ATOM 0 HA LYS A 71 7.000 1.980 -16.057 1.00 2.80 H new ATOM 0 HB2 LYS A 71 5.038 0.203 -14.614 1.00 4.02 H new ATOM 0 HB3 LYS A 71 5.225 0.035 -16.349 1.00 4.02 H new ATOM 0 HG2 LYS A 71 7.658 -0.371 -16.070 1.00 4.46 H new ATOM 0 HG3 LYS A 71 7.514 -0.143 -14.339 1.00 4.46 H new ATOM 0 HD2 LYS A 71 7.586 -2.551 -15.002 1.00 6.36 H new ATOM 0 HD3 LYS A 71 6.143 -2.129 -14.101 1.00 6.36 H new ATOM 0 HE2 LYS A 71 5.526 -3.613 -15.921 1.00 6.86 H new ATOM 0 HE3 LYS A 71 4.844 -2.029 -16.231 1.00 6.86 H new ATOM 0 HZ1 LYS A 71 5.810 -2.971 -18.215 1.00 7.19 H new ATOM 0 HZ2 LYS A 71 6.664 -1.575 -17.760 1.00 7.19 H new ATOM 0 HZ3 LYS A 71 7.324 -3.110 -17.460 1.00 7.19 H new ATOM 1073 N GLN A 72 5.299 3.855 -16.791 1.00 5.05 N ATOM 1074 CA GLN A 72 4.578 4.612 -17.818 1.00 6.88 C ATOM 1075 C GLN A 72 4.831 3.999 -19.212 1.00 6.48 C ATOM 1076 O GLN A 72 5.735 4.406 -19.935 1.00 6.10 O ATOM 1077 CB GLN A 72 4.903 6.122 -17.689 1.00 8.39 C ATOM 1078 CG GLN A 72 6.330 6.620 -18.018 1.00 8.44 C ATOM 1079 CD GLN A 72 7.460 5.830 -17.356 1.00 8.13 C ATOM 1080 OE1 GLN A 72 7.433 5.524 -16.172 1.00 8.10 O ATOM 1081 NE2 GLN A 72 8.462 5.401 -18.093 1.00 8.38 N ATOM 0 H GLN A 72 6.070 4.379 -16.377 1.00 5.05 H new ATOM 0 HA GLN A 72 3.501 4.537 -17.670 1.00 6.88 H new ATOM 0 HB2 GLN A 72 4.211 6.662 -18.334 1.00 8.39 H new ATOM 0 HB3 GLN A 72 4.681 6.419 -16.664 1.00 8.39 H new ATOM 0 HG2 GLN A 72 6.469 6.588 -19.099 1.00 8.44 H new ATOM 0 HG3 GLN A 72 6.412 7.664 -17.717 1.00 8.44 H new ATOM 0 HE21 GLN A 72 8.507 5.643 -19.083 1.00 8.38 H new ATOM 0 HE22 GLN A 72 9.194 4.827 -17.674 1.00 8.38 H new ATOM 1090 N GLN A 73 4.082 2.950 -19.565 1.00 6.97 N ATOM 1091 CA GLN A 73 4.252 2.177 -20.796 1.00 6.76 C ATOM 1092 C GLN A 73 2.907 1.560 -21.197 1.00 8.10 C ATOM 1093 O GLN A 73 2.275 0.920 -20.364 1.00 8.85 O ATOM 1094 CB GLN A 73 5.246 1.018 -20.578 1.00 5.86 C ATOM 1095 CG GLN A 73 6.683 1.423 -20.224 1.00 5.44 C ATOM 1096 CD GLN A 73 7.565 0.190 -20.056 1.00 5.50 C ATOM 1097 OE1 GLN A 73 7.414 -0.585 -19.119 1.00 5.99 O ATOM 1098 NE2 GLN A 73 8.497 -0.061 -20.951 1.00 5.99 N ATOM 0 H GLN A 73 3.318 2.606 -18.983 1.00 6.97 H new ATOM 0 HA GLN A 73 4.626 2.848 -21.569 1.00 6.76 H new ATOM 0 HB2 GLN A 73 4.862 0.381 -19.781 1.00 5.86 H new ATOM 0 HB3 GLN A 73 5.273 0.413 -21.484 1.00 5.86 H new ATOM 0 HG2 GLN A 73 7.089 2.063 -21.007 1.00 5.44 H new ATOM 0 HG3 GLN A 73 6.685 2.006 -19.303 1.00 5.44 H new ATOM 0 HE21 GLN A 73 8.634 0.575 -21.736 1.00 5.99 H new ATOM 0 HE22 GLN A 73 9.082 -0.892 -20.859 1.00 5.99 H new TER 1107 GLN A 73