USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 553 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 21 HIS : no HE2:sc= -5.82 K(o=-6.2,f=-8.6!) USER MOD Set 1.2: A 53 ASN : amide:sc= -0.42 K(o=-6.2,f=-11) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN :FLIP amide:sc= -0.677 F(o=-1.6!,f=-0.68) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.45) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.313 K(o=-0.31,f=-2!) USER MOD Single : A 33 ASN : amide:sc= -0.0608 X(o=-0.061,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.713 K(o=-0.71,f=-2.1!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0378 USER MOD Single : A 62 GLN : amide:sc= -0.176 K(o=-0.18,f=-1.4!) USER MOD Single : A 65 GLN : amide:sc= -0.638 K(o=-0.64,f=-3.3!) USER MOD Single : A 66 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.23) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N MET A 9 -14.723 -7.359 2.693 1.00 1.18 N ATOM 59 CA MET A 9 -13.504 -6.562 2.623 1.00 0.82 C ATOM 60 C MET A 9 -12.815 -6.754 1.278 1.00 0.72 C ATOM 61 O MET A 9 -13.054 -7.743 0.585 1.00 0.97 O ATOM 62 CB MET A 9 -12.558 -6.959 3.754 1.00 1.08 C ATOM 63 CG MET A 9 -12.964 -6.318 5.078 1.00 1.61 C ATOM 64 SD MET A 9 -13.008 -7.502 6.434 1.00 2.27 S ATOM 65 CE MET A 9 -11.514 -7.052 7.331 1.00 2.82 C ATOM 0 HA MET A 9 -13.770 -5.510 2.729 1.00 0.82 H new ATOM 0 HB2 MET A 9 -12.553 -8.044 3.861 1.00 1.08 H new ATOM 0 HB3 MET A 9 -11.541 -6.659 3.501 1.00 1.08 H new ATOM 0 HG2 MET A 9 -12.264 -5.519 5.321 1.00 1.61 H new ATOM 0 HG3 MET A 9 -13.947 -5.859 4.969 1.00 1.61 H new ATOM 0 HE1 MET A 9 -11.403 -7.699 8.201 1.00 2.82 H new ATOM 0 HE2 MET A 9 -10.649 -7.170 6.679 1.00 2.82 H new ATOM 0 HE3 MET A 9 -11.584 -6.014 7.657 1.00 2.82 H new ATOM 75 N ASP A 10 -11.959 -5.804 0.914 1.00 0.49 N ATOM 76 CA ASP A 10 -11.235 -5.871 -0.351 1.00 0.42 C ATOM 77 C ASP A 10 -9.738 -5.698 -0.122 1.00 0.38 C ATOM 78 O ASP A 10 -9.262 -4.590 0.122 1.00 0.54 O ATOM 79 CB ASP A 10 -11.740 -4.788 -1.301 1.00 0.44 C ATOM 80 CG ASP A 10 -13.137 -5.132 -1.802 1.00 0.86 C ATOM 81 OD1 ASP A 10 -13.466 -6.335 -1.870 1.00 1.55 O ATOM 82 OD2 ASP A 10 -13.900 -4.197 -2.126 1.00 1.53 O ATOM 0 H ASP A 10 -11.750 -4.979 1.477 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.410 -6.850 -0.796 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -11.757 -3.825 -0.790 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.058 -4.689 -2.145 1.00 0.44 H new ATOM 87 N TYR A 11 -9.001 -6.802 -0.199 1.00 0.40 N ATOM 88 CA TYR A 11 -7.557 -6.774 0.002 1.00 0.37 C ATOM 89 C TYR A 11 -6.825 -6.992 -1.317 1.00 0.34 C ATOM 90 O TYR A 11 -7.408 -7.468 -2.291 1.00 0.38 O ATOM 91 CB TYR A 11 -7.150 -7.851 1.002 1.00 0.42 C ATOM 92 CG TYR A 11 -7.503 -9.242 0.540 1.00 0.48 C ATOM 93 CD1 TYR A 11 -6.623 -9.955 -0.254 1.00 0.57 C ATOM 94 CD2 TYR A 11 -8.709 -9.812 0.908 1.00 0.54 C ATOM 95 CE1 TYR A 11 -6.945 -11.233 -0.677 1.00 0.67 C ATOM 96 CE2 TYR A 11 -9.033 -11.090 0.486 1.00 0.63 C ATOM 97 CZ TYR A 11 -8.152 -11.792 -0.310 1.00 0.67 C ATOM 98 OH TYR A 11 -8.471 -13.064 -0.727 1.00 0.78 O ATOM 0 H TYR A 11 -9.381 -7.727 -0.399 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.283 -5.795 0.394 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.075 -7.792 1.175 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.637 -7.656 1.957 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -5.681 -9.513 -0.545 1.00 0.57 H new ATOM 0 HD2 TYR A 11 -9.400 -9.258 1.526 1.00 0.54 H new ATOM 0 HE1 TYR A 11 -6.254 -11.791 -1.292 1.00 0.67 H new ATOM 0 HE2 TYR A 11 -9.972 -11.536 0.779 1.00 0.63 H new ATOM 0 HH TYR A 11 -9.355 -13.309 -0.382 1.00 0.78 H new ATOM 108 N VAL A 12 -5.542 -6.642 -1.337 1.00 0.34 N ATOM 109 CA VAL A 12 -4.717 -6.797 -2.531 1.00 0.34 C ATOM 110 C VAL A 12 -3.296 -6.317 -2.262 1.00 0.35 C ATOM 111 O VAL A 12 -3.085 -5.178 -1.847 1.00 0.51 O ATOM 112 CB VAL A 12 -5.318 -6.009 -3.693 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.292 -4.510 -3.403 1.00 0.52 C ATOM 114 CG2 VAL A 12 -4.577 -6.319 -4.991 1.00 0.81 C ATOM 0 H VAL A 12 -5.049 -6.247 -0.536 1.00 0.34 H new ATOM 0 HA VAL A 12 -4.687 -7.854 -2.795 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.358 -6.314 -3.810 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -5.725 -3.969 -4.244 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -5.870 -4.304 -2.503 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -4.262 -4.186 -3.255 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -5.019 -5.748 -5.808 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.527 -6.046 -4.885 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -4.655 -7.384 -5.209 1.00 0.81 H new ATOM 124 N GLU A 13 -2.323 -7.190 -2.504 1.00 0.49 N ATOM 125 CA GLU A 13 -0.921 -6.853 -2.289 1.00 0.54 C ATOM 126 C GLU A 13 -0.221 -6.611 -3.621 1.00 0.50 C ATOM 127 O GLU A 13 -0.260 -7.456 -4.515 1.00 0.60 O ATOM 128 CB GLU A 13 -0.222 -7.978 -1.530 1.00 0.67 C ATOM 129 CG GLU A 13 -0.128 -9.251 -2.368 1.00 1.05 C ATOM 130 CD GLU A 13 0.176 -10.449 -1.478 1.00 1.43 C ATOM 131 OE1 GLU A 13 0.793 -10.256 -0.410 1.00 2.05 O ATOM 132 OE2 GLU A 13 -0.204 -11.579 -1.851 1.00 1.97 O ATOM 0 H GLU A 13 -2.480 -8.137 -2.849 1.00 0.49 H new ATOM 0 HA GLU A 13 -0.871 -5.939 -1.697 1.00 0.54 H new ATOM 0 HB2 GLU A 13 0.779 -7.656 -1.243 1.00 0.67 H new ATOM 0 HB3 GLU A 13 -0.765 -8.188 -0.609 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -1.065 -9.414 -2.901 1.00 1.05 H new ATOM 0 HG3 GLU A 13 0.652 -9.142 -3.121 1.00 1.05 H new ATOM 139 N ILE A 14 0.417 -5.451 -3.749 1.00 0.48 N ATOM 140 CA ILE A 14 1.126 -5.097 -4.974 1.00 0.49 C ATOM 141 C ILE A 14 2.567 -5.589 -4.917 1.00 0.48 C ATOM 142 O ILE A 14 3.257 -5.404 -3.913 1.00 0.43 O ATOM 143 CB ILE A 14 1.089 -3.582 -5.180 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.929 -2.867 -4.124 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.346 -3.069 -5.153 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.956 -1.359 -4.358 1.00 0.63 C ATOM 0 H ILE A 14 0.457 -4.740 -3.019 1.00 0.48 H new ATOM 0 HA ILE A 14 0.631 -5.580 -5.817 1.00 0.49 H new ATOM 0 HB ILE A 14 1.515 -3.366 -6.160 1.00 0.52 H new ATOM 0 HG12 ILE A 14 1.525 -3.075 -3.133 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.947 -3.257 -4.141 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.349 -1.989 -5.301 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.918 -3.546 -5.949 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -0.798 -3.304 -4.190 1.00 0.64 H new ATOM 0 HD11 ILE A 14 2.563 -0.882 -3.588 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.384 -1.151 -5.338 1.00 0.63 H new ATOM 0 HD13 ILE A 14 0.940 -0.966 -4.315 1.00 0.63 H new ATOM 158 N ASN A 15 3.017 -6.218 -5.997 1.00 0.59 N ATOM 159 CA ASN A 15 4.377 -6.738 -6.068 1.00 0.62 C ATOM 160 C ASN A 15 5.383 -5.605 -6.224 1.00 0.60 C ATOM 161 O ASN A 15 5.189 -4.695 -7.029 1.00 0.78 O ATOM 162 CB ASN A 15 4.504 -7.707 -7.240 1.00 0.79 C ATOM 163 CG ASN A 15 5.244 -8.966 -6.810 1.00 1.31 C ATOM 164 OD1 ASN A 15 4.605 -9.769 -5.966 1.00 2.20 O flip ATOM 165 ND2 ASN A 15 6.374 -9.209 -7.230 1.00 1.54 N flip ATOM 0 H ASN A 15 2.459 -6.380 -6.836 1.00 0.59 H new ATOM 0 HA ASN A 15 4.591 -7.265 -5.138 1.00 0.62 H new ATOM 0 HB2 ASN A 15 3.514 -7.969 -7.612 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.037 -7.227 -8.061 1.00 0.79 H new ATOM 0 HD21 ASN A 15 6.827 -8.564 -7.877 1.00 1.54 H new ATOM 0 HD22 ASN A 15 6.858 -10.056 -6.931 1.00 1.54 H new ATOM 172 N ILE A 16 6.461 -5.671 -5.449 1.00 0.49 N ATOM 173 CA ILE A 16 7.507 -4.655 -5.497 1.00 0.49 C ATOM 174 C ILE A 16 8.881 -5.307 -5.394 1.00 0.56 C ATOM 175 O ILE A 16 9.015 -6.409 -4.860 1.00 0.66 O ATOM 176 CB ILE A 16 7.317 -3.657 -4.360 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.896 -3.097 -4.366 1.00 0.63 C ATOM 178 CG2 ILE A 16 8.337 -2.528 -4.454 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.615 -2.296 -5.635 1.00 0.84 C ATOM 0 H ILE A 16 6.633 -6.420 -4.778 1.00 0.49 H new ATOM 0 HA ILE A 16 7.440 -4.127 -6.448 1.00 0.49 H new ATOM 0 HB ILE A 16 7.476 -4.182 -3.418 1.00 0.48 H new ATOM 0 HG12 ILE A 16 5.181 -3.916 -4.286 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.751 -2.460 -3.493 1.00 0.63 H new ATOM 0 HG21 ILE A 16 8.182 -1.828 -3.633 1.00 0.58 H new ATOM 0 HG22 ILE A 16 9.344 -2.941 -4.394 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.215 -2.006 -5.403 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.595 -1.913 -5.605 1.00 0.84 H new ATOM 0 HD12 ILE A 16 6.314 -1.462 -5.701 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.735 -2.940 -6.506 1.00 0.84 H new ATOM 191 N ASP A 17 9.900 -4.628 -5.911 1.00 0.63 N ATOM 192 CA ASP A 17 11.261 -5.153 -5.878 1.00 0.75 C ATOM 193 C ASP A 17 12.188 -4.221 -5.107 1.00 1.00 C ATOM 194 O ASP A 17 12.511 -4.474 -3.946 1.00 1.75 O ATOM 195 CB ASP A 17 11.781 -5.342 -7.300 1.00 1.27 C ATOM 196 CG ASP A 17 11.461 -6.745 -7.796 1.00 1.63 C ATOM 197 OD1 ASP A 17 12.140 -7.700 -7.361 1.00 2.16 O ATOM 198 OD2 ASP A 17 10.532 -6.889 -8.618 1.00 2.21 O ATOM 0 H ASP A 17 9.810 -3.715 -6.357 1.00 0.63 H new ATOM 0 HA ASP A 17 11.242 -6.116 -5.368 1.00 0.75 H new ATOM 0 HB2 ASP A 17 11.329 -4.603 -7.961 1.00 1.27 H new ATOM 0 HB3 ASP A 17 12.858 -5.176 -7.326 1.00 1.27 H new ATOM 203 N HIS A 18 12.619 -3.143 -5.757 1.00 1.27 N ATOM 204 CA HIS A 18 13.517 -2.172 -5.133 1.00 1.85 C ATOM 205 C HIS A 18 13.022 -1.789 -3.743 1.00 1.32 C ATOM 206 O HIS A 18 11.924 -2.170 -3.339 1.00 2.00 O ATOM 207 CB HIS A 18 13.626 -0.926 -6.007 1.00 2.83 C ATOM 208 CG HIS A 18 15.040 -0.594 -6.372 1.00 3.48 C ATOM 209 ND1 HIS A 18 15.823 -1.401 -7.156 1.00 4.01 N ATOM 210 CD2 HIS A 18 15.832 0.466 -6.063 1.00 4.16 C ATOM 211 CE1 HIS A 18 17.017 -0.881 -7.323 1.00 4.73 C ATOM 212 NE2 HIS A 18 17.059 0.265 -6.665 1.00 4.84 N ATOM 0 H HIS A 18 12.361 -2.919 -6.718 1.00 1.27 H new ATOM 0 HA HIS A 18 14.501 -2.630 -5.034 1.00 1.85 H new ATOM 0 HB2 HIS A 18 13.046 -1.075 -6.918 1.00 2.83 H new ATOM 0 HB3 HIS A 18 13.183 -0.080 -5.482 1.00 2.83 H new ATOM 0 HD2 HIS A 18 15.552 1.314 -5.455 1.00 4.16 H new ATOM 0 HE1 HIS A 18 17.823 -1.313 -7.897 1.00 4.73 H new ATOM 0 HE2 HIS A 18 17.861 0.893 -6.611 1.00 4.84 H new ATOM 220 N LYS A 19 13.842 -1.037 -3.015 1.00 0.82 N ATOM 221 CA LYS A 19 13.492 -0.601 -1.668 1.00 0.84 C ATOM 222 C LYS A 19 12.340 0.393 -1.711 1.00 0.77 C ATOM 223 O LYS A 19 12.502 1.562 -1.364 1.00 1.13 O ATOM 224 CB LYS A 19 14.701 0.041 -0.994 1.00 1.47 C ATOM 225 CG LYS A 19 15.930 -0.860 -1.064 1.00 1.97 C ATOM 226 CD LYS A 19 17.125 -0.234 -0.349 1.00 2.72 C ATOM 227 CE LYS A 19 17.188 -0.656 1.116 1.00 3.37 C ATOM 228 NZ LYS A 19 17.876 0.373 1.947 1.00 4.03 N ATOM 0 H LYS A 19 14.755 -0.716 -3.337 1.00 0.82 H new ATOM 0 HA LYS A 19 13.182 -1.474 -1.093 1.00 0.84 H new ATOM 0 HB2 LYS A 19 14.921 0.995 -1.473 1.00 1.47 H new ATOM 0 HB3 LYS A 19 14.466 0.255 0.049 1.00 1.47 H new ATOM 0 HG2 LYS A 19 15.700 -1.826 -0.614 1.00 1.97 H new ATOM 0 HG3 LYS A 19 16.186 -1.047 -2.107 1.00 1.97 H new ATOM 0 HD2 LYS A 19 18.046 -0.528 -0.853 1.00 2.72 H new ATOM 0 HD3 LYS A 19 17.060 0.852 -0.413 1.00 2.72 H new ATOM 0 HE2 LYS A 19 16.178 -0.816 1.494 1.00 3.37 H new ATOM 0 HE3 LYS A 19 17.715 -1.607 1.201 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 17.903 0.058 2.938 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 18.847 0.507 1.600 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 17.358 1.273 1.884 1.00 4.03 H new ATOM 242 N PHE A 20 11.175 -0.081 -2.138 1.00 0.63 N ATOM 243 CA PHE A 20 9.991 0.763 -2.227 1.00 0.61 C ATOM 244 C PHE A 20 9.153 0.638 -0.965 1.00 0.62 C ATOM 245 O PHE A 20 7.925 0.589 -1.019 1.00 0.95 O ATOM 246 CB PHE A 20 9.161 0.363 -3.439 1.00 0.62 C ATOM 247 CG PHE A 20 9.098 1.436 -4.495 1.00 0.75 C ATOM 248 CD1 PHE A 20 10.266 1.967 -5.013 1.00 1.08 C ATOM 249 CD2 PHE A 20 7.873 1.894 -4.949 1.00 0.96 C ATOM 250 CE1 PHE A 20 10.210 2.952 -5.983 1.00 1.26 C ATOM 251 CE2 PHE A 20 7.817 2.879 -5.920 1.00 1.17 C ATOM 252 CZ PHE A 20 8.982 3.409 -6.436 1.00 1.19 C ATOM 0 H PHE A 20 11.026 -1.047 -2.428 1.00 0.63 H new ATOM 0 HA PHE A 20 10.309 1.800 -2.334 1.00 0.61 H new ATOM 0 HB2 PHE A 20 9.581 -0.543 -3.876 1.00 0.62 H new ATOM 0 HB3 PHE A 20 8.149 0.122 -3.115 1.00 0.62 H new ATOM 0 HD1 PHE A 20 11.223 1.612 -4.660 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.960 1.482 -4.545 1.00 0.96 H new ATOM 0 HE1 PHE A 20 11.123 3.365 -6.387 1.00 1.26 H new ATOM 0 HE2 PHE A 20 6.860 3.233 -6.274 1.00 1.17 H new ATOM 0 HZ PHE A 20 8.937 4.179 -7.192 1.00 1.19 H new ATOM 262 N HIS A 21 9.818 0.571 0.175 1.00 0.53 N ATOM 263 CA HIS A 21 9.125 0.442 1.437 1.00 0.57 C ATOM 264 C HIS A 21 9.488 1.593 2.368 1.00 0.69 C ATOM 265 O HIS A 21 8.716 2.537 2.533 1.00 1.03 O ATOM 266 CB HIS A 21 9.488 -0.888 2.078 1.00 0.54 C ATOM 267 CG HIS A 21 8.821 -2.052 1.415 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.255 -3.092 2.104 1.00 0.48 N ATOM 269 CD2 HIS A 21 8.626 -2.353 0.106 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.743 -3.979 1.282 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.953 -3.559 0.045 1.00 0.42 N ATOM 0 H HIS A 21 10.835 0.604 0.249 1.00 0.53 H new ATOM 0 HA HIS A 21 8.050 0.476 1.258 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.569 -1.023 2.037 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.209 -0.867 3.131 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.234 -3.167 3.121 1.00 0.48 H new ATOM 0 HD2 HIS A 21 8.941 -1.757 -0.738 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.239 -4.891 1.566 1.00 0.45 H new ATOM 279 N ARG A 22 10.669 1.509 2.974 1.00 0.68 N ATOM 280 CA ARG A 22 11.137 2.546 3.889 1.00 0.80 C ATOM 281 C ARG A 22 11.050 3.918 3.234 1.00 0.81 C ATOM 282 O ARG A 22 10.881 4.932 3.914 1.00 0.92 O ATOM 283 CB ARG A 22 12.577 2.261 4.307 1.00 0.93 C ATOM 284 CG ARG A 22 12.648 1.669 5.711 1.00 1.64 C ATOM 285 CD ARG A 22 13.089 2.708 6.737 1.00 2.14 C ATOM 286 NE ARG A 22 14.111 2.150 7.618 1.00 2.73 N ATOM 287 CZ ARG A 22 15.150 2.870 8.027 1.00 3.33 C ATOM 288 NH1 ARG A 22 14.960 3.933 8.798 1.00 3.95 N ATOM 289 NH2 ARG A 22 16.379 2.528 7.668 1.00 3.72 N ATOM 0 H ARG A 22 11.320 0.734 2.848 1.00 0.68 H new ATOM 0 HA ARG A 22 10.499 2.542 4.772 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.033 1.571 3.597 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.156 3.184 4.271 1.00 0.93 H new ATOM 0 HG2 ARG A 22 11.671 1.274 5.990 1.00 1.64 H new ATOM 0 HG3 ARG A 22 13.345 0.831 5.718 1.00 1.64 H new ATOM 0 HD2 ARG A 22 13.480 3.589 6.227 1.00 2.14 H new ATOM 0 HD3 ARG A 22 12.231 3.035 7.325 1.00 2.14 H new ATOM 0 HE ARG A 22 14.025 1.182 7.928 1.00 2.73 H new ATOM 0 HH11 ARG A 22 14.016 4.198 9.077 1.00 3.95 H new ATOM 0 HH12 ARG A 22 15.758 4.485 9.111 1.00 3.95 H new ATOM 0 HH21 ARG A 22 16.529 1.711 7.077 1.00 3.72 H new ATOM 0 HH22 ARG A 22 17.175 3.082 7.983 1.00 3.72 H new ATOM 303 N HIS A 23 11.167 3.947 1.911 1.00 0.90 N ATOM 304 CA HIS A 23 11.102 5.197 1.161 1.00 0.98 C ATOM 305 C HIS A 23 9.680 5.743 1.154 1.00 0.96 C ATOM 306 O HIS A 23 9.447 6.902 1.498 1.00 1.12 O ATOM 307 CB HIS A 23 11.570 4.967 -0.273 1.00 1.02 C ATOM 308 CG HIS A 23 12.155 6.193 -0.904 1.00 1.30 C ATOM 309 ND1 HIS A 23 12.911 7.106 -0.217 1.00 1.83 N ATOM 310 CD2 HIS A 23 12.100 6.671 -2.175 1.00 1.56 C ATOM 311 CE1 HIS A 23 13.301 8.083 -1.004 1.00 2.07 C ATOM 312 NE2 HIS A 23 12.821 7.849 -2.213 1.00 1.86 N ATOM 0 H HIS A 23 11.308 3.117 1.334 1.00 0.90 H new ATOM 0 HA HIS A 23 11.755 5.924 1.643 1.00 0.98 H new ATOM 0 HB2 HIS A 23 12.314 4.170 -0.283 1.00 1.02 H new ATOM 0 HB3 HIS A 23 10.727 4.624 -0.873 1.00 1.02 H new ATOM 0 HD2 HIS A 23 11.585 6.212 -3.006 1.00 1.56 H new ATOM 0 HE1 HIS A 23 13.907 8.929 -0.714 1.00 2.07 H new ATOM 0 HE2 HIS A 23 12.959 8.438 -3.034 1.00 1.86 H new ATOM 320 N LEU A 24 8.735 4.902 0.752 1.00 0.86 N ATOM 321 CA LEU A 24 7.333 5.293 0.690 1.00 0.87 C ATOM 322 C LEU A 24 6.837 5.766 2.051 1.00 0.97 C ATOM 323 O LEU A 24 6.278 6.857 2.175 1.00 1.16 O ATOM 324 CB LEU A 24 6.491 4.123 0.208 1.00 0.73 C ATOM 325 CG LEU A 24 6.423 4.095 -1.313 1.00 0.76 C ATOM 326 CD1 LEU A 24 7.373 3.043 -1.870 1.00 0.72 C ATOM 327 CD2 LEU A 24 4.995 3.854 -1.783 1.00 1.25 C ATOM 0 H LEU A 24 8.916 3.941 0.463 1.00 0.86 H new ATOM 0 HA LEU A 24 7.239 6.120 -0.013 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.916 3.188 0.575 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.485 4.199 0.620 1.00 0.73 H new ATOM 0 HG LEU A 24 6.738 5.067 -1.693 1.00 0.76 H new ATOM 0 HD11 LEU A 24 7.311 3.037 -2.958 1.00 0.72 H new ATOM 0 HD12 LEU A 24 8.393 3.276 -1.566 1.00 0.72 H new ATOM 0 HD13 LEU A 24 7.095 2.062 -1.485 1.00 0.72 H new ATOM 0 HD21 LEU A 24 4.968 3.838 -2.873 1.00 1.25 H new ATOM 0 HD22 LEU A 24 4.641 2.898 -1.397 1.00 1.25 H new ATOM 0 HD23 LEU A 24 4.351 4.654 -1.416 1.00 1.25 H new ATOM 339 N ILE A 25 7.041 4.939 3.071 1.00 0.92 N ATOM 340 CA ILE A 25 6.610 5.272 4.425 1.00 1.10 C ATOM 341 C ILE A 25 7.367 6.487 4.946 1.00 1.41 C ATOM 342 O ILE A 25 6.866 7.225 5.794 1.00 1.91 O ATOM 343 CB ILE A 25 6.830 4.079 5.353 1.00 0.94 C ATOM 344 CG1 ILE A 25 8.316 3.747 5.471 1.00 0.90 C ATOM 345 CG2 ILE A 25 6.048 2.864 4.865 1.00 1.06 C ATOM 346 CD1 ILE A 25 8.620 2.998 6.765 1.00 0.91 C ATOM 0 H ILE A 25 7.502 4.033 2.986 1.00 0.92 H new ATOM 0 HA ILE A 25 5.547 5.512 4.400 1.00 1.10 H new ATOM 0 HB ILE A 25 6.462 4.350 6.343 1.00 0.94 H new ATOM 0 HG12 ILE A 25 8.624 3.142 4.618 1.00 0.90 H new ATOM 0 HG13 ILE A 25 8.899 4.667 5.436 1.00 0.90 H new ATOM 0 HG21 ILE A 25 6.219 2.026 5.541 1.00 1.06 H new ATOM 0 HG22 ILE A 25 4.984 3.101 4.843 1.00 1.06 H new ATOM 0 HG23 ILE A 25 6.381 2.596 3.862 1.00 1.06 H new ATOM 0 HD11 ILE A 25 9.686 2.778 6.816 1.00 0.91 H new ATOM 0 HD12 ILE A 25 8.336 3.615 7.618 1.00 0.91 H new ATOM 0 HD13 ILE A 25 8.056 2.066 6.787 1.00 0.91 H new ATOM 358 N GLY A 26 8.577 6.689 4.434 1.00 1.49 N ATOM 359 CA GLY A 26 9.406 7.817 4.848 1.00 1.87 C ATOM 360 C GLY A 26 9.975 7.598 6.244 1.00 1.82 C ATOM 361 O GLY A 26 10.453 6.511 6.565 1.00 2.29 O ATOM 0 H GLY A 26 9.006 6.086 3.732 1.00 1.49 H new ATOM 0 HA2 GLY A 26 10.221 7.953 4.137 1.00 1.87 H new ATOM 0 HA3 GLY A 26 8.814 8.732 4.833 1.00 1.87 H new ATOM 365 N LYS A 27 9.920 8.638 7.070 1.00 1.86 N ATOM 366 CA LYS A 27 10.431 8.563 8.434 1.00 1.91 C ATOM 367 C LYS A 27 9.316 8.191 9.403 1.00 1.62 C ATOM 368 O LYS A 27 8.328 8.914 9.535 1.00 2.38 O ATOM 369 CB LYS A 27 11.041 9.903 8.837 1.00 2.21 C ATOM 370 CG LYS A 27 12.554 9.806 9.009 1.00 2.65 C ATOM 371 CD LYS A 27 13.010 10.422 10.330 1.00 3.30 C ATOM 372 CE LYS A 27 14.407 11.025 10.215 1.00 3.80 C ATOM 373 NZ LYS A 27 14.888 11.528 11.532 1.00 4.51 N ATOM 0 H LYS A 27 9.526 9.544 6.818 1.00 1.86 H new ATOM 0 HA LYS A 27 11.200 7.791 8.474 1.00 1.91 H new ATOM 0 HB2 LYS A 27 10.808 10.651 8.079 1.00 2.21 H new ATOM 0 HB3 LYS A 27 10.590 10.242 9.769 1.00 2.21 H new ATOM 0 HG2 LYS A 27 12.859 8.760 8.970 1.00 2.65 H new ATOM 0 HG3 LYS A 27 13.048 10.313 8.180 1.00 2.65 H new ATOM 0 HD2 LYS A 27 12.304 11.194 10.635 1.00 3.30 H new ATOM 0 HD3 LYS A 27 13.005 9.659 11.109 1.00 3.30 H new ATOM 0 HE2 LYS A 27 15.100 10.274 9.835 1.00 3.80 H new ATOM 0 HE3 LYS A 27 14.395 11.842 9.493 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 15.840 11.932 11.423 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 14.239 12.261 11.882 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 14.922 10.742 12.212 1.00 4.51 H new ATOM 387 N SER A 28 9.479 7.058 10.080 1.00 1.28 N ATOM 388 CA SER A 28 8.486 6.589 11.039 1.00 1.60 C ATOM 389 C SER A 28 7.105 6.546 10.399 1.00 1.60 C ATOM 390 O SER A 28 6.089 6.680 11.083 1.00 2.28 O ATOM 391 CB SER A 28 8.462 7.506 12.257 1.00 1.99 C ATOM 392 OG SER A 28 9.679 7.397 12.982 1.00 2.57 O ATOM 0 H SER A 28 10.290 6.448 9.981 1.00 1.28 H new ATOM 0 HA SER A 28 8.758 5.581 11.353 1.00 1.60 H new ATOM 0 HB2 SER A 28 8.311 8.538 11.940 1.00 1.99 H new ATOM 0 HB3 SER A 28 7.623 7.244 12.901 1.00 1.99 H new ATOM 0 HG SER A 28 9.651 7.992 13.760 1.00 2.57 H new ATOM 398 N GLY A 29 7.072 6.361 9.083 1.00 1.21 N ATOM 399 CA GLY A 29 5.813 6.302 8.349 1.00 1.23 C ATOM 400 C GLY A 29 5.161 7.677 8.276 1.00 1.36 C ATOM 401 O GLY A 29 5.085 8.392 9.276 1.00 2.05 O ATOM 0 H GLY A 29 7.903 6.249 8.503 1.00 1.21 H new ATOM 0 HA2 GLY A 29 5.992 5.926 7.342 1.00 1.23 H new ATOM 0 HA3 GLY A 29 5.136 5.600 8.836 1.00 1.23 H new ATOM 405 N ALA A 30 4.692 8.044 7.088 1.00 1.00 N ATOM 406 CA ALA A 30 4.046 9.335 6.886 1.00 1.10 C ATOM 407 C ALA A 30 3.002 9.249 5.780 1.00 1.06 C ATOM 408 O ALA A 30 1.862 9.681 5.955 1.00 1.43 O ATOM 409 CB ALA A 30 5.090 10.390 6.533 1.00 1.27 C ATOM 0 H ALA A 30 4.747 7.465 6.250 1.00 1.00 H new ATOM 0 HA ALA A 30 3.546 9.618 7.812 1.00 1.10 H new ATOM 0 HB1 ALA A 30 4.599 11.352 6.384 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.812 10.473 7.345 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.606 10.100 5.618 1.00 1.27 H new ATOM 415 N ASN A 31 3.397 8.692 4.639 1.00 0.73 N ATOM 416 CA ASN A 31 2.492 8.551 3.503 1.00 0.69 C ATOM 417 C ASN A 31 1.390 7.547 3.813 1.00 0.60 C ATOM 418 O ASN A 31 0.210 7.815 3.584 1.00 0.58 O ATOM 419 CB ASN A 31 3.266 8.103 2.266 1.00 0.71 C ATOM 420 CG ASN A 31 3.119 9.126 1.148 1.00 1.24 C ATOM 421 OD1 ASN A 31 2.166 9.905 1.126 1.00 1.91 O ATOM 422 ND2 ASN A 31 4.066 9.126 0.219 1.00 1.42 N ATOM 0 H ASN A 31 4.337 8.331 4.477 1.00 0.73 H new ATOM 0 HA ASN A 31 2.035 9.521 3.308 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.320 7.976 2.515 1.00 0.71 H new ATOM 0 HB3 ASN A 31 2.898 7.133 1.931 1.00 0.71 H new ATOM 0 HD21 ASN A 31 4.022 9.790 -0.554 1.00 1.42 H new ATOM 0 HD22 ASN A 31 4.838 8.462 0.278 1.00 1.42 H new ATOM 429 N ILE A 32 1.780 6.386 4.338 1.00 0.58 N ATOM 430 CA ILE A 32 0.826 5.331 4.682 1.00 0.56 C ATOM 431 C ILE A 32 -0.388 5.906 5.406 1.00 0.52 C ATOM 432 O ILE A 32 -1.503 5.398 5.273 1.00 0.51 O ATOM 433 CB ILE A 32 1.506 4.284 5.560 1.00 0.63 C ATOM 434 CG1 ILE A 32 2.212 4.950 6.738 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.491 3.449 4.746 1.00 0.69 C ATOM 436 CD1 ILE A 32 2.351 3.995 7.919 1.00 1.07 C ATOM 0 H ILE A 32 2.753 6.151 4.535 1.00 0.58 H new ATOM 0 HA ILE A 32 0.484 4.864 3.758 1.00 0.56 H new ATOM 0 HB ILE A 32 0.738 3.617 5.951 1.00 0.63 H new ATOM 0 HG12 ILE A 32 3.199 5.291 6.426 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.653 5.833 7.047 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.963 2.710 5.393 1.00 0.69 H new ATOM 0 HG22 ILE A 32 1.959 2.940 3.942 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.255 4.100 4.321 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.858 4.503 8.740 1.00 1.07 H new ATOM 0 HD12 ILE A 32 1.362 3.675 8.246 1.00 1.07 H new ATOM 0 HD13 ILE A 32 2.933 3.124 7.616 1.00 1.07 H new ATOM 448 N ASN A 33 -0.166 6.972 6.169 1.00 0.56 N ATOM 449 CA ASN A 33 -1.240 7.619 6.911 1.00 0.59 C ATOM 450 C ASN A 33 -2.043 8.538 5.997 1.00 0.54 C ATOM 451 O ASN A 33 -3.265 8.630 6.113 1.00 0.55 O ATOM 452 CB ASN A 33 -0.662 8.418 8.075 1.00 0.71 C ATOM 453 CG ASN A 33 -1.650 8.453 9.235 1.00 0.97 C ATOM 454 OD1 ASN A 33 -2.189 9.507 9.574 1.00 1.51 O ATOM 455 ND2 ASN A 33 -1.887 7.297 9.845 1.00 1.62 N ATOM 0 H ASN A 33 0.749 7.406 6.289 1.00 0.56 H new ATOM 0 HA ASN A 33 -1.905 6.849 7.301 1.00 0.59 H new ATOM 0 HB2 ASN A 33 0.277 7.971 8.401 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.435 9.434 7.751 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -2.539 7.258 10.629 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -1.417 6.448 9.530 1.00 1.62 H new ATOM 462 N ARG A 34 -1.348 9.214 5.087 1.00 0.55 N ATOM 463 CA ARG A 34 -1.997 10.126 4.151 1.00 0.56 C ATOM 464 C ARG A 34 -3.072 9.398 3.354 1.00 0.48 C ATOM 465 O ARG A 34 -4.183 9.900 3.188 1.00 0.48 O ATOM 466 CB ARG A 34 -0.963 10.723 3.201 1.00 0.65 C ATOM 467 CG ARG A 34 -1.256 12.189 2.899 1.00 0.89 C ATOM 468 CD ARG A 34 -0.395 12.710 1.751 1.00 1.22 C ATOM 469 NE ARG A 34 -0.277 14.162 1.822 1.00 1.69 N ATOM 470 CZ ARG A 34 0.906 14.766 1.830 1.00 2.27 C ATOM 471 NH1 ARG A 34 1.890 14.312 1.067 1.00 2.78 N ATOM 472 NH2 ARG A 34 1.107 15.824 2.604 1.00 2.90 N ATOM 0 H ARG A 34 -0.336 9.147 4.978 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.467 10.928 4.720 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.030 10.633 3.641 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.952 10.155 2.271 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -2.310 12.305 2.646 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -1.075 12.788 3.791 1.00 0.89 H new ATOM 0 HD2 ARG A 34 0.595 12.256 1.795 1.00 1.22 H new ATOM 0 HD3 ARG A 34 -0.836 12.421 0.797 1.00 1.22 H new ATOM 0 HE ARG A 34 -1.124 14.728 1.867 1.00 1.69 H new ATOM 0 HH11 ARG A 34 1.740 13.497 0.472 1.00 2.78 H new ATOM 0 HH12 ARG A 34 2.798 14.777 1.075 1.00 2.78 H new ATOM 0 HH21 ARG A 34 0.353 16.175 3.194 1.00 2.90 H new ATOM 0 HH22 ARG A 34 2.016 16.287 2.609 1.00 2.90 H new ATOM 486 N ILE A 35 -2.734 8.210 2.861 1.00 0.45 N ATOM 487 CA ILE A 35 -3.671 7.409 2.080 1.00 0.40 C ATOM 488 C ILE A 35 -4.768 6.848 2.978 1.00 0.34 C ATOM 489 O ILE A 35 -5.948 7.146 2.790 1.00 0.34 O ATOM 490 CB ILE A 35 -2.930 6.272 1.382 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.873 6.828 0.432 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.901 5.365 0.629 1.00 0.40 C ATOM 493 CD1 ILE A 35 -0.537 7.037 1.139 1.00 1.29 C ATOM 0 H ILE A 35 -1.818 7.781 2.989 1.00 0.45 H new ATOM 0 HA ILE A 35 -4.132 8.047 1.326 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.433 5.674 2.146 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -1.739 6.143 -0.405 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -2.218 7.775 0.017 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -3.346 4.564 0.141 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.617 4.936 1.330 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -4.434 5.947 -0.123 1.00 0.40 H new ATOM 0 HD11 ILE A 35 0.191 7.434 0.431 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -0.666 7.742 1.960 1.00 1.29 H new ATOM 0 HD13 ILE A 35 -0.180 6.085 1.531 1.00 1.29 H new ATOM 505 N LYS A 36 -4.371 6.033 3.956 1.00 0.35 N ATOM 506 CA LYS A 36 -5.313 5.421 4.896 1.00 0.36 C ATOM 507 C LYS A 36 -6.397 6.408 5.320 1.00 0.39 C ATOM 508 O LYS A 36 -7.528 6.017 5.606 1.00 0.51 O ATOM 509 CB LYS A 36 -4.564 4.920 6.128 1.00 0.44 C ATOM 510 CG LYS A 36 -5.508 4.264 7.135 1.00 1.09 C ATOM 511 CD LYS A 36 -5.119 4.601 8.571 1.00 1.41 C ATOM 512 CE LYS A 36 -6.221 5.381 9.283 1.00 2.17 C ATOM 513 NZ LYS A 36 -5.832 6.804 9.487 1.00 2.76 N ATOM 0 H LYS A 36 -3.396 5.780 4.119 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.795 4.583 4.392 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -3.801 4.203 5.824 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -4.047 5.753 6.603 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.529 4.595 6.947 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -5.493 3.183 6.998 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -4.912 3.681 9.118 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -4.199 5.186 8.572 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -7.139 5.333 8.698 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -6.433 4.918 10.247 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -6.601 7.308 9.973 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -4.969 6.848 10.066 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -5.654 7.251 8.565 1.00 2.76 H new ATOM 527 N ASP A 37 -6.046 7.689 5.357 1.00 0.40 N ATOM 528 CA ASP A 37 -6.992 8.730 5.743 1.00 0.45 C ATOM 529 C ASP A 37 -7.688 9.293 4.512 1.00 0.44 C ATOM 530 O ASP A 37 -8.897 9.523 4.519 1.00 0.60 O ATOM 531 CB ASP A 37 -6.267 9.846 6.488 1.00 0.51 C ATOM 532 CG ASP A 37 -7.146 10.393 7.604 1.00 0.82 C ATOM 533 OD1 ASP A 37 -8.346 10.629 7.353 1.00 1.37 O ATOM 534 OD2 ASP A 37 -6.633 10.585 8.726 1.00 1.56 O ATOM 0 H ASP A 37 -5.114 8.031 5.125 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.743 8.293 6.402 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.333 9.468 6.904 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -6.007 10.646 5.795 1.00 0.51 H new ATOM 539 N GLN A 38 -6.916 9.510 3.453 1.00 0.41 N ATOM 540 CA GLN A 38 -7.451 10.043 2.207 1.00 0.46 C ATOM 541 C GLN A 38 -8.366 9.026 1.539 1.00 0.42 C ATOM 542 O GLN A 38 -9.573 9.239 1.431 1.00 0.68 O ATOM 543 CB GLN A 38 -6.313 10.406 1.268 1.00 0.54 C ATOM 544 CG GLN A 38 -6.803 11.263 0.109 1.00 0.65 C ATOM 545 CD GLN A 38 -7.560 12.484 0.617 1.00 1.05 C ATOM 546 OE1 GLN A 38 -7.292 12.984 1.709 1.00 1.65 O ATOM 547 NE2 GLN A 38 -8.507 12.966 -0.179 1.00 1.66 N ATOM 0 H GLN A 38 -5.913 9.324 3.434 1.00 0.41 H new ATOM 0 HA GLN A 38 -8.031 10.938 2.434 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -5.541 10.943 1.819 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.854 9.496 0.881 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.955 11.582 -0.496 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -7.451 10.671 -0.537 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -8.695 12.519 -1.076 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -9.046 13.783 0.107 1.00 1.66 H new ATOM 556 N TYR A 39 -7.782 7.921 1.090 1.00 0.34 N ATOM 557 CA TYR A 39 -8.543 6.867 0.429 1.00 0.34 C ATOM 558 C TYR A 39 -9.320 6.023 1.438 1.00 0.30 C ATOM 559 O TYR A 39 -10.031 5.094 1.052 1.00 0.32 O ATOM 560 CB TYR A 39 -7.602 5.971 -0.370 1.00 0.39 C ATOM 561 CG TYR A 39 -6.869 6.703 -1.467 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.767 7.483 -1.168 1.00 0.53 C ATOM 563 CD2 TYR A 39 -7.297 6.595 -2.779 1.00 0.64 C ATOM 564 CE1 TYR A 39 -5.094 8.152 -2.175 1.00 0.62 C ATOM 565 CE2 TYR A 39 -6.624 7.263 -3.786 1.00 0.73 C ATOM 566 CZ TYR A 39 -5.527 8.039 -3.480 1.00 0.66 C ATOM 567 OH TYR A 39 -4.857 8.702 -4.482 1.00 0.77 O ATOM 0 H TYR A 39 -6.783 7.731 1.172 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.259 7.341 -0.242 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.875 5.524 0.308 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.175 5.153 -0.808 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.431 7.570 -0.145 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -8.158 5.988 -3.017 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.233 8.760 -1.940 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -6.957 7.177 -4.810 1.00 0.73 H new ATOM 0 HH TYR A 39 -5.288 8.517 -5.342 1.00 0.77 H new ATOM 577 N LYS A 40 -9.187 6.333 2.730 1.00 0.28 N ATOM 578 CA LYS A 40 -9.886 5.577 3.766 1.00 0.31 C ATOM 579 C LYS A 40 -9.618 4.089 3.590 1.00 0.29 C ATOM 580 O LYS A 40 -10.543 3.275 3.583 1.00 0.39 O ATOM 581 CB LYS A 40 -11.385 5.849 3.690 1.00 0.38 C ATOM 582 CG LYS A 40 -11.997 6.028 5.076 1.00 0.86 C ATOM 583 CD LYS A 40 -11.614 7.372 5.691 1.00 1.29 C ATOM 584 CE LYS A 40 -12.712 8.413 5.492 1.00 1.88 C ATOM 585 NZ LYS A 40 -13.010 9.135 6.761 1.00 2.56 N ATOM 0 H LYS A 40 -8.607 7.096 3.079 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.520 5.892 4.743 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.563 6.745 3.095 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.879 5.023 3.178 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -13.082 5.955 5.007 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -11.664 5.221 5.728 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -11.422 7.244 6.756 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -10.688 7.728 5.240 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -12.405 9.127 4.728 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -13.616 7.926 5.127 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -13.760 9.836 6.594 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -13.326 8.455 7.481 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -12.152 9.619 7.095 1.00 2.56 H new ATOM 599 N VAL A 41 -8.345 3.745 3.425 1.00 0.23 N ATOM 600 CA VAL A 41 -7.941 2.359 3.222 1.00 0.23 C ATOM 601 C VAL A 41 -6.889 1.941 4.244 1.00 0.27 C ATOM 602 O VAL A 41 -6.578 2.690 5.170 1.00 0.33 O ATOM 603 CB VAL A 41 -7.386 2.206 1.810 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.506 2.300 0.783 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.318 3.263 1.536 1.00 0.23 C ATOM 0 H VAL A 41 -7.572 4.411 3.428 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.810 1.714 3.353 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.925 1.222 1.727 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -8.091 2.189 -0.219 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -9.234 1.509 0.965 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.996 3.270 0.867 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.934 3.138 0.524 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.755 4.256 1.638 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.502 3.150 2.250 1.00 0.23 H new ATOM 615 N SER A 42 -6.345 0.740 4.069 1.00 0.29 N ATOM 616 CA SER A 42 -5.327 0.221 4.971 1.00 0.34 C ATOM 617 C SER A 42 -4.113 -0.257 4.186 1.00 0.30 C ATOM 618 O SER A 42 -4.122 -1.347 3.614 1.00 0.36 O ATOM 619 CB SER A 42 -5.895 -0.929 5.797 1.00 0.43 C ATOM 620 OG SER A 42 -5.781 -0.646 7.183 1.00 0.93 O ATOM 0 H SER A 42 -6.594 0.108 3.308 1.00 0.29 H new ATOM 0 HA SER A 42 -5.018 1.023 5.641 1.00 0.34 H new ATOM 0 HB2 SER A 42 -6.941 -1.090 5.537 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.363 -1.851 5.563 1.00 0.43 H new ATOM 0 HG SER A 42 -6.151 -1.391 7.701 1.00 0.93 H new ATOM 626 N VAL A 43 -3.069 0.565 4.166 1.00 0.33 N ATOM 627 CA VAL A 43 -1.842 0.228 3.456 1.00 0.34 C ATOM 628 C VAL A 43 -0.782 -0.244 4.441 1.00 0.35 C ATOM 629 O VAL A 43 -0.686 0.272 5.555 1.00 0.55 O ATOM 630 CB VAL A 43 -1.335 1.443 2.683 1.00 0.49 C ATOM 631 CG1 VAL A 43 -1.189 2.648 3.609 1.00 1.25 C ATOM 632 CG2 VAL A 43 -0.013 1.133 1.986 1.00 0.54 C ATOM 0 H VAL A 43 -3.049 1.471 4.635 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.051 -0.577 2.751 1.00 0.34 H new ATOM 0 HB VAL A 43 -2.070 1.688 1.917 1.00 0.49 H new ATOM 0 HG11 VAL A 43 -0.827 3.503 3.039 1.00 1.25 H new ATOM 0 HG12 VAL A 43 -2.157 2.889 4.048 1.00 1.25 H new ATOM 0 HG13 VAL A 43 -0.479 2.414 4.402 1.00 1.25 H new ATOM 0 HG21 VAL A 43 0.327 2.014 1.442 1.00 0.54 H new ATOM 0 HG22 VAL A 43 0.734 0.855 2.730 1.00 0.54 H new ATOM 0 HG23 VAL A 43 -0.155 0.308 1.288 1.00 0.54 H new ATOM 642 N ARG A 44 0.009 -1.230 4.033 1.00 0.31 N ATOM 643 CA ARG A 44 1.055 -1.769 4.892 1.00 0.42 C ATOM 644 C ARG A 44 2.341 -2.000 4.108 1.00 0.40 C ATOM 645 O ARG A 44 2.335 -2.642 3.057 1.00 0.41 O ATOM 646 CB ARG A 44 0.588 -3.079 5.519 1.00 0.52 C ATOM 647 CG ARG A 44 -0.819 -2.955 6.101 1.00 0.78 C ATOM 648 CD ARG A 44 -0.857 -1.992 7.285 1.00 1.05 C ATOM 649 NE ARG A 44 -0.819 -2.731 8.542 1.00 1.31 N ATOM 650 CZ ARG A 44 -1.636 -2.439 9.549 1.00 1.74 C ATOM 651 NH1 ARG A 44 -2.945 -2.586 9.407 1.00 2.28 N ATOM 652 NH2 ARG A 44 -1.143 -2.000 10.699 1.00 2.27 N ATOM 0 H ARG A 44 -0.054 -1.671 3.115 1.00 0.31 H new ATOM 0 HA ARG A 44 1.259 -1.042 5.678 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.603 -3.868 4.767 1.00 0.52 H new ATOM 0 HB3 ARG A 44 1.283 -3.374 6.305 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -1.504 -2.608 5.327 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -1.169 -3.937 6.419 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -0.011 -1.307 7.232 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -1.761 -1.385 7.240 1.00 1.05 H new ATOM 0 HE ARG A 44 -0.148 -3.492 8.651 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -3.327 -2.924 8.524 1.00 2.28 H new ATOM 0 HH12 ARG A 44 -3.570 -2.361 10.181 1.00 2.28 H new ATOM 0 HH21 ARG A 44 -0.136 -1.886 10.812 1.00 2.27 H new ATOM 0 HH22 ARG A 44 -1.771 -1.776 11.471 1.00 2.27 H new ATOM 666 N ILE A 45 3.444 -1.478 4.635 1.00 0.46 N ATOM 667 CA ILE A 45 4.748 -1.626 4.002 1.00 0.47 C ATOM 668 C ILE A 45 5.594 -2.617 4.809 1.00 0.53 C ATOM 669 O ILE A 45 6.230 -2.244 5.794 1.00 0.64 O ATOM 670 CB ILE A 45 5.424 -0.244 3.899 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.914 0.498 2.664 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.954 -0.331 3.866 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.456 -0.108 1.368 1.00 0.56 C ATOM 0 H ILE A 45 3.459 -0.945 5.505 1.00 0.46 H new ATOM 0 HA ILE A 45 4.640 -2.023 2.992 1.00 0.47 H new ATOM 0 HB ILE A 45 5.157 0.308 4.800 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.824 0.471 2.649 1.00 0.59 H new ATOM 0 HG13 ILE A 45 5.206 1.546 2.724 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.374 0.672 3.793 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.311 -0.808 4.779 1.00 0.60 H new ATOM 0 HG23 ILE A 45 7.266 -0.919 3.003 1.00 0.60 H new ATOM 0 HD11 ILE A 45 5.068 0.450 0.516 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.545 -0.057 1.370 1.00 0.56 H new ATOM 0 HD13 ILE A 45 5.141 -1.149 1.294 1.00 0.56 H new ATOM 685 N PRO A 46 5.605 -3.898 4.397 1.00 0.48 N ATOM 686 CA PRO A 46 6.371 -4.942 5.091 1.00 0.58 C ATOM 687 C PRO A 46 7.870 -4.844 4.810 1.00 0.61 C ATOM 688 O PRO A 46 8.317 -5.098 3.691 1.00 0.56 O ATOM 689 CB PRO A 46 5.788 -6.240 4.541 1.00 0.57 C ATOM 690 CG PRO A 46 5.226 -5.890 3.204 1.00 0.47 C ATOM 691 CD PRO A 46 4.869 -4.427 3.235 1.00 0.41 C ATOM 0 HA PRO A 46 6.289 -4.861 6.175 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.555 -7.009 4.455 1.00 0.57 H new ATOM 0 HB3 PRO A 46 5.015 -6.633 5.201 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.953 -6.091 2.417 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.346 -6.495 2.987 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.166 -3.925 2.314 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.794 -4.282 3.345 1.00 0.41 H new ATOM 699 N PRO A 47 8.673 -4.476 5.827 1.00 0.74 N ATOM 700 CA PRO A 47 10.125 -4.351 5.676 1.00 0.81 C ATOM 701 C PRO A 47 10.824 -5.705 5.736 1.00 0.87 C ATOM 702 O PRO A 47 10.886 -6.336 6.791 1.00 1.53 O ATOM 703 CB PRO A 47 10.532 -3.467 6.851 1.00 0.98 C ATOM 704 CG PRO A 47 9.474 -3.663 7.890 1.00 1.03 C ATOM 705 CD PRO A 47 8.229 -4.156 7.193 1.00 0.85 C ATOM 0 HA PRO A 47 10.407 -3.934 4.709 1.00 0.81 H new ATOM 0 HB2 PRO A 47 11.513 -3.750 7.233 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.597 -2.421 6.550 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.803 -4.383 8.639 1.00 1.03 H new ATOM 0 HG3 PRO A 47 9.274 -2.728 8.413 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.816 -5.033 7.692 1.00 0.85 H new ATOM 0 HD3 PRO A 47 7.449 -3.395 7.189 1.00 0.85 H new ATOM 713 N ASP A 48 11.352 -6.145 4.598 1.00 1.32 N ATOM 714 CA ASP A 48 12.050 -7.425 4.523 1.00 1.46 C ATOM 715 C ASP A 48 13.316 -7.302 3.684 1.00 1.48 C ATOM 716 O ASP A 48 14.387 -7.753 4.091 1.00 2.18 O ATOM 717 CB ASP A 48 11.133 -8.495 3.928 1.00 2.16 C ATOM 718 CG ASP A 48 10.345 -7.940 2.747 1.00 2.56 C ATOM 719 OD1 ASP A 48 10.684 -6.837 2.266 1.00 3.03 O ATOM 720 OD2 ASP A 48 9.388 -8.609 2.303 1.00 3.01 O ATOM 0 H ASP A 48 11.310 -5.635 3.716 1.00 1.32 H new ATOM 0 HA ASP A 48 12.331 -7.719 5.534 1.00 1.46 H new ATOM 0 HB2 ASP A 48 11.727 -9.350 3.605 1.00 2.16 H new ATOM 0 HB3 ASP A 48 10.445 -8.856 4.692 1.00 2.16 H new ATOM 725 N SER A 49 13.188 -6.692 2.511 1.00 1.59 N ATOM 726 CA SER A 49 14.324 -6.512 1.615 1.00 2.11 C ATOM 727 C SER A 49 14.988 -7.850 1.316 1.00 1.90 C ATOM 728 O SER A 49 16.185 -7.911 1.040 1.00 2.33 O ATOM 729 CB SER A 49 15.339 -5.559 2.240 1.00 3.03 C ATOM 730 OG SER A 49 14.986 -4.210 1.973 1.00 3.81 O ATOM 0 H SER A 49 12.309 -6.314 2.158 1.00 1.59 H new ATOM 0 HA SER A 49 13.960 -6.086 0.680 1.00 2.11 H new ATOM 0 HB2 SER A 49 15.385 -5.723 3.317 1.00 3.03 H new ATOM 0 HB3 SER A 49 16.333 -5.766 1.843 1.00 3.03 H new ATOM 0 HG SER A 49 15.646 -3.612 2.382 1.00 3.81 H new ATOM 736 N GLU A 50 14.202 -8.921 1.372 1.00 1.92 N ATOM 737 CA GLU A 50 14.717 -10.259 1.107 1.00 2.27 C ATOM 738 C GLU A 50 14.611 -10.585 -0.378 1.00 2.09 C ATOM 739 O GLU A 50 13.758 -11.371 -0.794 1.00 2.74 O ATOM 740 CB GLU A 50 13.945 -11.291 1.926 1.00 3.06 C ATOM 741 CG GLU A 50 14.829 -11.935 2.993 1.00 3.83 C ATOM 742 CD GLU A 50 14.026 -12.191 4.261 1.00 4.43 C ATOM 743 OE1 GLU A 50 12.788 -12.322 4.166 1.00 4.75 O ATOM 744 OE2 GLU A 50 14.637 -12.260 5.348 1.00 4.97 O ATOM 0 H GLU A 50 13.208 -8.888 1.598 1.00 1.92 H new ATOM 0 HA GLU A 50 15.767 -10.291 1.397 1.00 2.27 H new ATOM 0 HB2 GLU A 50 13.089 -10.813 2.402 1.00 3.06 H new ATOM 0 HB3 GLU A 50 13.552 -12.062 1.264 1.00 3.06 H new ATOM 0 HG2 GLU A 50 15.238 -12.873 2.618 1.00 3.83 H new ATOM 0 HG3 GLU A 50 15.675 -11.284 3.215 1.00 3.83 H new ATOM 751 N LYS A 51 15.487 -9.980 -1.173 1.00 1.76 N ATOM 752 CA LYS A 51 15.503 -10.203 -2.615 1.00 1.77 C ATOM 753 C LYS A 51 14.289 -9.566 -3.279 1.00 1.55 C ATOM 754 O LYS A 51 14.415 -8.593 -4.021 1.00 2.20 O ATOM 755 CB LYS A 51 15.530 -11.699 -2.912 1.00 2.14 C ATOM 756 CG LYS A 51 16.604 -12.049 -3.938 1.00 2.60 C ATOM 757 CD LYS A 51 16.453 -13.480 -4.445 1.00 3.36 C ATOM 758 CE LYS A 51 16.570 -13.552 -5.965 1.00 4.12 C ATOM 759 NZ LYS A 51 17.619 -14.524 -6.382 1.00 4.81 N ATOM 0 H LYS A 51 16.198 -9.328 -0.842 1.00 1.76 H new ATOM 0 HA LYS A 51 16.401 -9.737 -3.021 1.00 1.77 H new ATOM 0 HB2 LYS A 51 15.714 -12.250 -1.990 1.00 2.14 H new ATOM 0 HB3 LYS A 51 14.555 -12.014 -3.283 1.00 2.14 H new ATOM 0 HG2 LYS A 51 16.545 -11.357 -4.778 1.00 2.60 H new ATOM 0 HG3 LYS A 51 17.590 -11.923 -3.491 1.00 2.60 H new ATOM 0 HD2 LYS A 51 17.217 -14.110 -3.990 1.00 3.36 H new ATOM 0 HD3 LYS A 51 15.486 -13.877 -4.135 1.00 3.36 H new ATOM 0 HE2 LYS A 51 15.611 -13.844 -6.392 1.00 4.12 H new ATOM 0 HE3 LYS A 51 16.808 -12.565 -6.361 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 17.675 -14.551 -7.420 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 18.538 -14.231 -5.993 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 17.378 -15.470 -6.024 1.00 4.81 H new ATOM 773 N SER A 52 13.112 -10.125 -3.016 1.00 1.19 N ATOM 774 CA SER A 52 11.876 -9.615 -3.599 1.00 1.04 C ATOM 775 C SER A 52 11.026 -8.914 -2.546 1.00 0.92 C ATOM 776 O SER A 52 11.098 -9.232 -1.360 1.00 1.19 O ATOM 777 CB SER A 52 11.084 -10.763 -4.218 1.00 1.25 C ATOM 778 OG SER A 52 9.721 -10.402 -4.372 1.00 2.03 O ATOM 0 H SER A 52 12.988 -10.931 -2.403 1.00 1.19 H new ATOM 0 HA SER A 52 12.135 -8.891 -4.372 1.00 1.04 H new ATOM 0 HB2 SER A 52 11.509 -11.024 -5.187 1.00 1.25 H new ATOM 0 HB3 SER A 52 11.162 -11.648 -3.587 1.00 1.25 H new ATOM 0 HG SER A 52 9.228 -11.149 -4.772 1.00 2.03 H new ATOM 784 N ASN A 53 10.214 -7.959 -2.995 1.00 0.68 N ATOM 785 CA ASN A 53 9.338 -7.210 -2.100 1.00 0.61 C ATOM 786 C ASN A 53 7.879 -7.455 -2.466 1.00 0.59 C ATOM 787 O ASN A 53 7.582 -7.988 -3.535 1.00 0.99 O ATOM 788 CB ASN A 53 9.651 -5.718 -2.191 1.00 0.60 C ATOM 789 CG ASN A 53 10.434 -5.267 -0.964 1.00 0.89 C ATOM 790 OD1 ASN A 53 9.969 -5.406 0.167 1.00 1.68 O ATOM 791 ND2 ASN A 53 11.625 -4.725 -1.189 1.00 1.28 N ATOM 0 H ASN A 53 10.145 -7.686 -3.975 1.00 0.68 H new ATOM 0 HA ASN A 53 9.508 -7.549 -1.078 1.00 0.61 H new ATOM 0 HB2 ASN A 53 10.227 -5.515 -3.094 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.725 -5.149 -2.269 1.00 0.60 H new ATOM 0 HD21 ASN A 53 12.195 -4.404 -0.407 1.00 1.28 H new ATOM 0 HD22 ASN A 53 11.970 -4.630 -2.144 1.00 1.28 H new ATOM 798 N LEU A 54 6.971 -7.066 -1.576 1.00 0.55 N ATOM 799 CA LEU A 54 5.545 -7.252 -1.817 1.00 0.51 C ATOM 800 C LEU A 54 4.715 -6.477 -0.801 1.00 0.44 C ATOM 801 O LEU A 54 4.457 -6.960 0.301 1.00 0.57 O ATOM 802 CB LEU A 54 5.194 -8.736 -1.743 1.00 0.65 C ATOM 803 CG LEU A 54 4.295 -9.157 -2.901 1.00 0.82 C ATOM 804 CD1 LEU A 54 3.994 -10.652 -2.835 1.00 1.49 C ATOM 805 CD2 LEU A 54 3.001 -8.346 -2.903 1.00 1.49 C ATOM 0 H LEU A 54 7.196 -6.622 -0.686 1.00 0.55 H new ATOM 0 HA LEU A 54 5.315 -6.872 -2.813 1.00 0.51 H new ATOM 0 HB2 LEU A 54 6.109 -9.328 -1.758 1.00 0.65 H new ATOM 0 HB3 LEU A 54 4.693 -8.946 -0.798 1.00 0.65 H new ATOM 0 HG LEU A 54 4.824 -8.957 -3.833 1.00 0.82 H new ATOM 0 HD11 LEU A 54 3.351 -10.931 -3.670 1.00 1.49 H new ATOM 0 HD12 LEU A 54 4.926 -11.214 -2.891 1.00 1.49 H new ATOM 0 HD13 LEU A 54 3.489 -10.880 -1.896 1.00 1.49 H new ATOM 0 HD21 LEU A 54 2.375 -8.662 -3.737 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.468 -8.509 -1.966 1.00 1.49 H new ATOM 0 HD23 LEU A 54 3.236 -7.287 -3.007 1.00 1.49 H new ATOM 817 N ILE A 55 4.288 -5.277 -1.183 1.00 0.31 N ATOM 818 CA ILE A 55 3.476 -4.440 -0.307 1.00 0.26 C ATOM 819 C ILE A 55 2.053 -4.978 -0.247 1.00 0.27 C ATOM 820 O ILE A 55 1.584 -5.620 -1.187 1.00 0.34 O ATOM 821 CB ILE A 55 3.474 -3.002 -0.814 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.904 -2.510 -1.030 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.732 -2.085 0.154 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.935 -1.083 -1.569 1.00 0.35 C ATOM 0 H ILE A 55 4.491 -4.863 -2.093 1.00 0.31 H new ATOM 0 HA ILE A 55 3.902 -4.458 0.696 1.00 0.26 H new ATOM 0 HB ILE A 55 2.951 -2.979 -1.770 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.450 -2.555 -0.088 1.00 0.31 H new ATOM 0 HG13 ILE A 55 5.416 -3.173 -1.727 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.744 -1.065 -0.230 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.700 -2.422 0.256 1.00 0.31 H new ATOM 0 HG23 ILE A 55 3.221 -2.112 1.128 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.969 -0.769 -1.709 1.00 0.35 H new ATOM 0 HD12 ILE A 55 4.411 -1.043 -2.524 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.447 -0.415 -0.859 1.00 0.35 H new ATOM 836 N ARG A 56 1.370 -4.725 0.864 1.00 0.29 N ATOM 837 CA ARG A 56 0.002 -5.201 1.041 1.00 0.32 C ATOM 838 C ARG A 56 -0.967 -4.038 1.216 1.00 0.29 C ATOM 839 O ARG A 56 -0.679 -3.073 1.926 1.00 0.42 O ATOM 840 CB ARG A 56 -0.072 -6.123 2.255 1.00 0.42 C ATOM 841 CG ARG A 56 0.600 -7.465 1.981 1.00 0.55 C ATOM 842 CD ARG A 56 1.613 -7.819 3.067 1.00 0.84 C ATOM 843 NE ARG A 56 0.997 -8.670 4.079 1.00 1.44 N ATOM 844 CZ ARG A 56 1.727 -9.367 4.944 1.00 1.77 C ATOM 845 NH1 ARG A 56 2.785 -8.813 5.521 1.00 2.19 N ATOM 846 NH2 ARG A 56 1.400 -10.619 5.233 1.00 2.33 N ATOM 0 H ARG A 56 1.739 -4.195 1.653 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.285 -5.752 0.145 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.408 -5.642 3.108 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.115 -6.286 2.526 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.158 -8.246 1.921 1.00 0.55 H new ATOM 0 HG3 ARG A 56 1.100 -7.431 1.013 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.467 -8.331 2.624 1.00 0.84 H new ATOM 0 HD3 ARG A 56 1.992 -6.908 3.530 1.00 0.84 H new ATOM 0 HE ARG A 56 -0.020 -8.732 4.124 1.00 1.44 H new ATOM 0 HH11 ARG A 56 3.040 -7.850 5.301 1.00 2.19 H new ATOM 0 HH12 ARG A 56 3.344 -9.350 6.184 1.00 2.19 H new ATOM 0 HH21 ARG A 56 0.587 -11.049 4.791 1.00 2.33 H new ATOM 0 HH22 ARG A 56 1.961 -11.152 5.897 1.00 2.33 H new ATOM 860 N ILE A 57 -2.122 -4.144 0.567 1.00 0.24 N ATOM 861 CA ILE A 57 -3.152 -3.115 0.645 1.00 0.24 C ATOM 862 C ILE A 57 -4.511 -3.758 0.884 1.00 0.26 C ATOM 863 O ILE A 57 -4.715 -4.926 0.558 1.00 0.40 O ATOM 864 CB ILE A 57 -3.184 -2.309 -0.649 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.782 -1.831 -1.019 1.00 0.28 C ATOM 866 CG2 ILE A 57 -4.141 -1.128 -0.528 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.274 -0.763 -0.054 1.00 1.32 C ATOM 0 H ILE A 57 -2.369 -4.939 -0.023 1.00 0.24 H new ATOM 0 HA ILE A 57 -2.921 -2.447 1.475 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.546 -2.959 -1.446 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.097 -2.679 -1.017 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.790 -1.431 -2.033 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -4.147 -0.568 -1.463 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.146 -1.494 -0.318 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.815 -0.477 0.283 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.273 -0.450 -0.352 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.945 0.096 -0.076 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.240 -1.172 0.956 1.00 1.32 H new ATOM 879 N GLU A 58 -5.442 -2.999 1.454 1.00 0.23 N ATOM 880 CA GLU A 58 -6.777 -3.518 1.726 1.00 0.25 C ATOM 881 C GLU A 58 -7.684 -2.427 2.276 1.00 0.24 C ATOM 882 O GLU A 58 -7.263 -1.594 3.079 1.00 0.26 O ATOM 883 CB GLU A 58 -6.691 -4.677 2.717 1.00 0.32 C ATOM 884 CG GLU A 58 -8.065 -5.267 3.018 1.00 0.37 C ATOM 885 CD GLU A 58 -8.758 -4.462 4.109 1.00 0.82 C ATOM 886 OE1 GLU A 58 -8.088 -3.617 4.741 1.00 1.47 O ATOM 887 OE2 GLU A 58 -9.968 -4.677 4.332 1.00 1.56 O ATOM 0 H GLU A 58 -5.298 -2.029 1.735 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.205 -3.875 0.789 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.042 -5.454 2.312 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.233 -4.330 3.643 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.674 -5.267 2.114 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -7.961 -6.305 3.333 1.00 0.37 H new ATOM 894 N GLY A 59 -8.935 -2.445 1.831 1.00 0.25 N ATOM 895 CA GLY A 59 -9.929 -1.470 2.258 1.00 0.27 C ATOM 896 C GLY A 59 -11.326 -2.043 2.071 1.00 0.39 C ATOM 897 O GLY A 59 -11.654 -3.090 2.628 1.00 0.59 O ATOM 0 H GLY A 59 -9.287 -3.134 1.166 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.770 -1.209 3.304 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.822 -0.552 1.681 1.00 0.27 H new ATOM 901 N ASP A 60 -12.142 -1.369 1.269 1.00 0.53 N ATOM 902 CA ASP A 60 -13.492 -1.842 1.005 1.00 0.70 C ATOM 903 C ASP A 60 -14.075 -1.172 -0.234 1.00 0.59 C ATOM 904 O ASP A 60 -14.309 -1.830 -1.247 1.00 1.04 O ATOM 905 CB ASP A 60 -14.390 -1.598 2.213 1.00 1.22 C ATOM 906 CG ASP A 60 -14.716 -2.916 2.904 1.00 1.93 C ATOM 907 OD1 ASP A 60 -15.107 -3.873 2.204 1.00 2.66 O ATOM 908 OD2 ASP A 60 -14.581 -2.988 4.144 1.00 2.31 O ATOM 0 H ASP A 60 -11.894 -0.501 0.795 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.442 -2.915 0.818 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.895 -0.925 2.913 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.311 -1.108 1.897 1.00 1.22 H new ATOM 913 N PRO A 61 -14.312 0.148 -0.180 1.00 0.72 N ATOM 914 CA PRO A 61 -14.864 0.883 -1.322 1.00 1.14 C ATOM 915 C PRO A 61 -13.829 1.059 -2.424 1.00 0.88 C ATOM 916 O PRO A 61 -12.764 0.443 -2.390 1.00 1.22 O ATOM 917 CB PRO A 61 -15.269 2.227 -0.725 1.00 1.82 C ATOM 918 CG PRO A 61 -14.397 2.402 0.474 1.00 1.82 C ATOM 919 CD PRO A 61 -14.057 1.024 0.978 1.00 1.17 C ATOM 0 HA PRO A 61 -15.697 0.361 -1.792 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -15.122 3.036 -1.440 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.324 2.234 -0.449 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.492 2.952 0.215 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -14.911 2.978 1.244 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -13.019 0.963 1.304 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -14.676 0.747 1.832 1.00 1.17 H new ATOM 927 N GLN A 62 -14.140 1.910 -3.394 1.00 0.64 N ATOM 928 CA GLN A 62 -13.223 2.171 -4.496 1.00 0.47 C ATOM 929 C GLN A 62 -11.904 2.736 -3.972 1.00 0.41 C ATOM 930 O GLN A 62 -10.896 2.734 -4.678 1.00 0.47 O ATOM 931 CB GLN A 62 -13.856 3.154 -5.478 1.00 0.69 C ATOM 932 CG GLN A 62 -15.133 2.587 -6.090 1.00 0.85 C ATOM 933 CD GLN A 62 -16.250 3.620 -6.035 1.00 1.34 C ATOM 934 OE1 GLN A 62 -15.997 4.823 -5.975 1.00 2.14 O ATOM 935 NE2 GLN A 62 -17.493 3.150 -6.052 1.00 1.73 N ATOM 0 H GLN A 62 -15.017 2.429 -3.440 1.00 0.64 H new ATOM 0 HA GLN A 62 -13.020 1.231 -5.010 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -14.081 4.089 -4.965 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -13.144 3.388 -6.270 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -14.950 2.294 -7.124 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.434 1.688 -5.553 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -17.657 2.145 -6.102 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -18.283 3.795 -6.015 1.00 1.73 H new ATOM 944 N GLY A 63 -11.916 3.227 -2.735 1.00 0.37 N ATOM 945 CA GLY A 63 -10.723 3.801 -2.125 1.00 0.34 C ATOM 946 C GLY A 63 -9.556 2.818 -2.125 1.00 0.27 C ATOM 947 O GLY A 63 -8.409 3.218 -2.324 1.00 0.29 O ATOM 0 H GLY A 63 -12.741 3.238 -2.136 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.437 4.704 -2.665 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.947 4.099 -1.101 1.00 0.34 H new ATOM 951 N VAL A 64 -9.838 1.537 -1.888 1.00 0.24 N ATOM 952 CA VAL A 64 -8.778 0.533 -1.853 1.00 0.21 C ATOM 953 C VAL A 64 -8.220 0.268 -3.251 1.00 0.24 C ATOM 954 O VAL A 64 -7.005 0.274 -3.451 1.00 0.28 O ATOM 955 CB VAL A 64 -9.270 -0.772 -1.202 1.00 0.24 C ATOM 956 CG1 VAL A 64 -10.064 -1.648 -2.168 1.00 0.30 C ATOM 957 CG2 VAL A 64 -8.080 -1.548 -0.648 1.00 0.26 C ATOM 0 H VAL A 64 -10.777 1.175 -1.720 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.969 0.930 -1.240 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.947 -0.498 -0.393 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.386 -2.555 -1.656 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.938 -1.101 -2.521 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.436 -1.915 -3.018 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.430 -2.472 -0.187 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.391 -1.785 -1.459 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.567 -0.942 0.099 1.00 0.26 H new ATOM 967 N GLN A 65 -9.104 0.033 -4.215 1.00 0.25 N ATOM 968 CA GLN A 65 -8.678 -0.233 -5.585 1.00 0.30 C ATOM 969 C GLN A 65 -8.065 1.017 -6.203 1.00 0.30 C ATOM 970 O GLN A 65 -7.228 0.928 -7.102 1.00 0.34 O ATOM 971 CB GLN A 65 -9.861 -0.716 -6.422 1.00 0.37 C ATOM 972 CG GLN A 65 -10.916 0.369 -6.592 1.00 0.42 C ATOM 973 CD GLN A 65 -11.345 0.478 -8.050 1.00 0.78 C ATOM 974 OE1 GLN A 65 -10.893 -0.286 -8.903 1.00 1.56 O ATOM 975 NE2 GLN A 65 -12.223 1.433 -8.338 1.00 0.82 N ATOM 0 H GLN A 65 -10.114 0.021 -4.075 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.920 -1.017 -5.568 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.506 -1.034 -7.402 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -10.310 -1.588 -5.947 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.781 0.143 -5.969 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.519 1.326 -6.252 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -12.572 2.044 -7.600 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -12.548 1.555 -9.297 1.00 0.82 H new ATOM 984 N GLN A 66 -8.471 2.182 -5.707 1.00 0.29 N ATOM 985 CA GLN A 66 -7.949 3.448 -6.204 1.00 0.31 C ATOM 986 C GLN A 66 -6.520 3.647 -5.717 1.00 0.29 C ATOM 987 O GLN A 66 -5.583 3.691 -6.515 1.00 0.36 O ATOM 988 CB GLN A 66 -8.822 4.604 -5.730 1.00 0.35 C ATOM 989 CG GLN A 66 -8.592 5.854 -6.572 1.00 0.79 C ATOM 990 CD GLN A 66 -9.018 5.607 -8.012 1.00 1.10 C ATOM 991 OE1 GLN A 66 -8.198 5.647 -8.930 1.00 2.03 O ATOM 992 NE2 GLN A 66 -10.305 5.350 -8.213 1.00 1.31 N ATOM 0 H GLN A 66 -9.160 2.274 -4.961 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.957 3.425 -7.294 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.872 4.315 -5.783 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.604 4.822 -4.685 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -9.156 6.689 -6.157 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -7.539 6.134 -6.540 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -10.950 5.327 -7.423 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -10.649 5.176 -9.157 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.358 3.753 -4.402 1.00 0.26 N ATOM 1002 CA ALA A 67 -5.042 3.933 -3.808 1.00 0.27 C ATOM 1003 C ALA A 67 -4.114 2.814 -4.257 1.00 0.26 C ATOM 1004 O ALA A 67 -2.907 3.011 -4.399 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.149 3.941 -2.286 1.00 0.29 C ATOM 0 H ALA A 67 -7.123 3.717 -3.729 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.634 4.889 -4.137 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.158 4.076 -1.852 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.798 4.758 -1.971 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.568 2.994 -1.946 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.691 1.639 -4.489 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.924 0.484 -4.934 1.00 0.28 C ATOM 1013 C LYS A 68 -3.240 0.792 -6.259 1.00 0.31 C ATOM 1014 O LYS A 68 -2.034 1.032 -6.305 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.847 -0.723 -5.089 1.00 0.32 C ATOM 1016 CG LYS A 68 -4.099 -1.946 -5.611 1.00 0.37 C ATOM 1017 CD LYS A 68 -5.033 -2.908 -6.338 1.00 0.43 C ATOM 1018 CE LYS A 68 -4.256 -3.855 -7.245 1.00 0.57 C ATOM 1019 NZ LYS A 68 -5.112 -4.375 -8.347 1.00 0.88 N ATOM 0 H LYS A 68 -5.689 1.463 -4.375 1.00 0.25 H new ATOM 0 HA LYS A 68 -3.162 0.255 -4.189 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -5.302 -0.959 -4.127 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.659 -0.474 -5.773 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -3.306 -1.627 -6.288 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.620 -2.462 -4.779 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.603 -3.485 -5.610 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -5.752 -2.342 -6.930 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -3.395 -3.335 -7.665 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -3.869 -4.688 -6.658 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -4.554 -5.016 -8.947 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -5.920 -4.892 -7.945 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -5.460 -3.580 -8.920 1.00 0.88 H new ATOM 1033 N ARG A 69 -4.021 0.795 -7.336 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.492 1.085 -8.664 1.00 0.43 C ATOM 1035 C ARG A 69 -2.701 2.389 -8.643 1.00 0.42 C ATOM 1036 O ARG A 69 -1.749 2.562 -9.402 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.634 1.188 -9.671 1.00 0.50 C ATOM 1038 CG ARG A 69 -4.125 1.125 -11.107 1.00 1.02 C ATOM 1039 CD ARG A 69 -5.127 0.439 -12.030 1.00 1.36 C ATOM 1040 NE ARG A 69 -5.165 1.105 -13.326 1.00 1.81 N ATOM 1041 CZ ARG A 69 -5.871 0.618 -14.342 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -7.178 0.425 -14.212 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -5.273 0.326 -15.488 1.00 2.98 N ATOM 0 H ARG A 69 -5.022 0.600 -7.314 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.828 0.273 -8.961 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.344 0.379 -9.500 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -5.173 2.123 -9.516 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -3.929 2.134 -11.468 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -3.177 0.587 -11.134 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -4.853 -0.608 -12.160 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -6.118 0.455 -11.577 1.00 1.36 H new ATOM 0 HE ARG A 69 -4.636 1.967 -13.457 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -7.642 0.650 -13.332 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -7.718 0.051 -14.992 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -4.269 0.475 -15.592 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -5.816 -0.048 -16.266 1.00 2.98 H new ATOM 1057 N GLU A 70 -3.102 3.299 -7.760 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.432 4.587 -7.626 1.00 0.43 C ATOM 1059 C GLU A 70 -0.977 4.384 -7.228 1.00 0.44 C ATOM 1060 O GLU A 70 -0.065 4.886 -7.889 1.00 0.56 O ATOM 1061 CB GLU A 70 -3.143 5.437 -6.577 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.685 6.892 -6.624 1.00 0.59 C ATOM 1063 CD GLU A 70 -3.363 7.623 -7.775 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -3.352 7.094 -8.906 1.00 1.50 O ATOM 1065 OE2 GLU A 70 -3.905 8.724 -7.543 1.00 1.38 O ATOM 0 H GLU A 70 -3.890 3.167 -7.126 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.466 5.102 -8.586 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -4.220 5.389 -6.739 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.951 5.027 -5.585 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.922 7.385 -5.681 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.602 6.936 -6.744 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.765 3.638 -6.149 1.00 0.40 N ATOM 1073 CA LEU A 71 0.579 3.356 -5.660 1.00 0.47 C ATOM 1074 C LEU A 71 1.406 2.697 -6.754 1.00 0.52 C ATOM 1075 O LEU A 71 2.562 3.057 -6.979 1.00 0.60 O ATOM 1076 CB LEU A 71 0.511 2.436 -4.445 1.00 0.51 C ATOM 1077 CG LEU A 71 0.206 3.210 -3.167 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -1.033 2.646 -2.474 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.406 3.189 -2.226 1.00 1.15 C ATOM 0 H LEU A 71 -1.510 3.216 -5.595 1.00 0.40 H new ATOM 0 HA LEU A 71 1.051 4.296 -5.372 1.00 0.47 H new ATOM 0 HB2 LEU A 71 -0.257 1.679 -4.604 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.459 1.909 -4.334 1.00 0.51 H new ATOM 0 HG LEU A 71 0.002 4.246 -3.438 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -1.231 3.214 -1.565 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.890 2.721 -3.143 1.00 1.08 H new ATOM 0 HD13 LEU A 71 -0.863 1.600 -2.219 1.00 1.08 H new ATOM 0 HD21 LEU A 71 1.168 3.747 -1.320 1.00 1.15 H new ATOM 0 HD22 LEU A 71 1.646 2.158 -1.965 1.00 1.15 H new ATOM 0 HD23 LEU A 71 2.263 3.647 -2.719 1.00 1.15 H new ATOM 1091 N LEU A 72 0.803 1.726 -7.430 1.00 0.52 N ATOM 1092 CA LEU A 72 1.473 1.006 -8.506 1.00 0.63 C ATOM 1093 C LEU A 72 1.920 1.967 -9.601 1.00 0.67 C ATOM 1094 O LEU A 72 3.076 1.945 -10.026 1.00 0.83 O ATOM 1095 CB LEU A 72 0.531 -0.038 -9.091 1.00 0.66 C ATOM 1096 CG LEU A 72 0.973 -1.451 -8.729 1.00 0.88 C ATOM 1097 CD1 LEU A 72 -0.126 -2.176 -7.965 1.00 1.99 C ATOM 1098 CD2 LEU A 72 1.369 -2.229 -9.980 1.00 1.04 C ATOM 0 H LEU A 72 -0.153 1.418 -7.251 1.00 0.52 H new ATOM 0 HA LEU A 72 2.355 0.513 -8.097 1.00 0.63 H new ATOM 0 HB2 LEU A 72 -0.480 0.134 -8.722 1.00 0.66 H new ATOM 0 HB3 LEU A 72 0.497 0.068 -10.175 1.00 0.66 H new ATOM 0 HG LEU A 72 1.848 -1.382 -8.083 1.00 0.88 H new ATOM 0 HD11 LEU A 72 0.208 -3.183 -7.715 1.00 1.99 H new ATOM 0 HD12 LEU A 72 -0.352 -1.631 -7.049 1.00 1.99 H new ATOM 0 HD13 LEU A 72 -1.022 -2.234 -8.583 1.00 1.99 H new ATOM 0 HD21 LEU A 72 1.681 -3.235 -9.699 1.00 1.04 H new ATOM 0 HD22 LEU A 72 0.516 -2.289 -10.656 1.00 1.04 H new ATOM 0 HD23 LEU A 72 2.193 -1.720 -10.480 1.00 1.04 H new ATOM 1110 N GLU A 73 0.995 2.805 -10.057 1.00 0.64 N ATOM 1111 CA GLU A 73 1.281 3.773 -11.111 1.00 0.74 C ATOM 1112 C GLU A 73 2.207 4.873 -10.604 1.00 0.71 C ATOM 1113 O GLU A 73 3.383 4.922 -10.962 1.00 0.88 O ATOM 1114 CB GLU A 73 -0.021 4.387 -11.617 1.00 0.82 C ATOM 1115 CG GLU A 73 -0.406 3.841 -12.989 1.00 1.00 C ATOM 1116 CD GLU A 73 -0.199 4.904 -14.059 1.00 1.41 C ATOM 1117 OE1 GLU A 73 0.946 5.053 -14.536 1.00 2.01 O ATOM 1118 OE2 GLU A 73 -1.181 5.586 -14.419 1.00 2.05 O ATOM 0 H GLU A 73 0.036 2.833 -9.711 1.00 0.64 H new ATOM 0 HA GLU A 73 1.780 3.253 -11.928 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -0.821 4.181 -10.906 1.00 0.82 H new ATOM 0 HB3 GLU A 73 0.085 5.470 -11.673 1.00 0.82 H new ATOM 0 HG2 GLU A 73 0.195 2.962 -13.220 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -1.448 3.521 -12.981 1.00 1.00 H new ATOM 1125 N LEU A 74 1.665 5.757 -9.770 1.00 0.64 N ATOM 1126 CA LEU A 74 2.430 6.863 -9.211 1.00 0.71 C ATOM 1127 C LEU A 74 3.770 6.383 -8.662 1.00 0.82 C ATOM 1128 O LEU A 74 4.826 6.851 -9.086 1.00 1.13 O ATOM 1129 CB LEU A 74 1.612 7.519 -8.104 1.00 0.85 C ATOM 1130 CG LEU A 74 0.442 8.372 -8.632 1.00 0.99 C ATOM 1131 CD1 LEU A 74 0.848 9.841 -8.695 1.00 1.32 C ATOM 1132 CD2 LEU A 74 -0.087 7.907 -9.996 1.00 1.19 C ATOM 0 H LEU A 74 0.692 5.726 -9.466 1.00 0.64 H new ATOM 0 HA LEU A 74 2.636 7.586 -10.000 1.00 0.71 H new ATOM 0 HB2 LEU A 74 1.219 6.745 -7.445 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.268 8.148 -7.502 1.00 0.85 H new ATOM 0 HG LEU A 74 -0.378 8.244 -7.925 1.00 0.99 H new ATOM 0 HD11 LEU A 74 0.013 10.433 -9.069 1.00 1.32 H new ATOM 0 HD12 LEU A 74 1.120 10.187 -7.698 1.00 1.32 H new ATOM 0 HD13 LEU A 74 1.702 9.954 -9.363 1.00 1.32 H new ATOM 0 HD21 LEU A 74 -0.909 8.552 -10.307 1.00 1.19 H new ATOM 0 HD22 LEU A 74 0.714 7.959 -10.734 1.00 1.19 H new ATOM 0 HD23 LEU A 74 -0.442 6.879 -9.918 1.00 1.19 H new ATOM 1144 N ALA A 75 3.719 5.448 -7.721 1.00 0.78 N ATOM 1145 CA ALA A 75 4.932 4.906 -7.120 1.00 0.99 C ATOM 1146 C ALA A 75 5.701 6.000 -6.391 1.00 1.70 C ATOM 1147 O ALA A 75 6.929 5.965 -6.318 1.00 2.16 O ATOM 1148 CB ALA A 75 5.812 4.282 -8.198 1.00 1.14 C ATOM 0 H ALA A 75 2.853 5.050 -7.358 1.00 0.78 H new ATOM 0 HA ALA A 75 4.650 4.139 -6.399 1.00 0.99 H new ATOM 0 HB1 ALA A 75 6.716 3.879 -7.742 1.00 1.14 H new ATOM 0 HB2 ALA A 75 5.267 3.478 -8.693 1.00 1.14 H new ATOM 0 HB3 ALA A 75 6.083 5.042 -8.931 1.00 1.14 H new