USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 538 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 17 SER OG : rot -45:sc= 1.26 USER MOD Set 1.2: A 48 THR OG1 : rot 1:sc= 0.282 USER MOD Single : A 6 THR OG1 : rot -66:sc= 1.19 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 40 TYR OH : rot -147:sc= 0.782 USER MOD Single : A 42 SER OG : rot 180:sc= 0.00473 USER MOD Single : A 46 MET CE :methyl 155:sc= -0.267 (180deg=-1.01) USER MOD Single : A 54 SER OG : rot 79:sc= 0.741 USER MOD Single : A 56 TYR OH : rot 180:sc= 0.583 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0111 USER MOD Single : A 70 THR OG1 : rot -163:sc= -0.0525 USER MOD Single : A 79 ASN : amide:sc= -0.347 X(o=-0.35,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 11.879 7.802 0.761 1.00 0.91 N ATOM 45 CA LEU A 4 10.921 6.874 1.282 1.00 0.65 C ATOM 46 C LEU A 4 9.521 7.378 1.066 1.00 0.63 C ATOM 47 O LEU A 4 9.289 8.588 0.966 1.00 0.84 O ATOM 48 CB LEU A 4 11.174 6.652 2.764 1.00 0.62 C ATOM 49 CG LEU A 4 12.541 6.083 3.123 1.00 0.65 C ATOM 50 CD1 LEU A 4 12.696 6.017 4.619 1.00 0.80 C ATOM 51 CD2 LEU A 4 12.722 4.702 2.515 1.00 0.51 C ATOM 0 HA LEU A 4 11.029 5.927 0.753 1.00 0.65 H new ATOM 0 HB2 LEU A 4 11.050 7.603 3.281 1.00 0.62 H new ATOM 0 HB3 LEU A 4 10.408 5.978 3.148 1.00 0.62 H new ATOM 0 HG LEU A 4 13.309 6.741 2.716 1.00 0.65 H new ATOM 0 HD11 LEU A 4 13.676 5.609 4.866 1.00 0.80 H new ATOM 0 HD12 LEU A 4 12.604 7.019 5.039 1.00 0.80 H new ATOM 0 HD13 LEU A 4 11.920 5.375 5.037 1.00 0.80 H new ATOM 0 HD21 LEU A 4 13.704 4.313 2.783 1.00 0.51 H new ATOM 0 HD22 LEU A 4 11.950 4.033 2.896 1.00 0.51 H new ATOM 0 HD23 LEU A 4 12.641 4.769 1.430 1.00 0.51 H new ATOM 63 N LEU A 5 8.595 6.464 0.990 1.00 0.44 N ATOM 64 CA LEU A 5 7.216 6.805 0.789 1.00 0.40 C ATOM 65 C LEU A 5 6.595 7.177 2.096 1.00 0.35 C ATOM 66 O LEU A 5 6.729 6.442 3.080 1.00 0.41 O ATOM 67 CB LEU A 5 6.445 5.636 0.189 1.00 0.41 C ATOM 68 CG LEU A 5 6.928 5.127 -1.151 1.00 0.59 C ATOM 69 CD1 LEU A 5 6.015 4.020 -1.642 1.00 0.72 C ATOM 70 CD2 LEU A 5 6.982 6.260 -2.148 1.00 0.81 C ATOM 0 H LEU A 5 8.775 5.463 1.066 1.00 0.44 H new ATOM 0 HA LEU A 5 7.172 7.647 0.098 1.00 0.40 H new ATOM 0 HB2 LEU A 5 6.472 4.809 0.898 1.00 0.41 H new ATOM 0 HB3 LEU A 5 5.401 5.933 0.085 1.00 0.41 H new ATOM 0 HG LEU A 5 7.934 4.722 -1.040 1.00 0.59 H new ATOM 0 HD11 LEU A 5 6.369 3.658 -2.607 1.00 0.72 H new ATOM 0 HD12 LEU A 5 6.018 3.200 -0.924 1.00 0.72 H new ATOM 0 HD13 LEU A 5 5.001 4.405 -1.748 1.00 0.72 H new ATOM 0 HD21 LEU A 5 7.331 5.883 -3.109 1.00 0.81 H new ATOM 0 HD22 LEU A 5 5.987 6.688 -2.266 1.00 0.81 H new ATOM 0 HD23 LEU A 5 7.667 7.028 -1.789 1.00 0.81 H new ATOM 82 N THR A 6 5.956 8.295 2.118 1.00 0.37 N ATOM 83 CA THR A 6 5.270 8.747 3.280 1.00 0.42 C ATOM 84 C THR A 6 3.784 8.430 3.140 1.00 0.35 C ATOM 85 O THR A 6 3.386 7.720 2.189 1.00 0.34 O ATOM 86 CB THR A 6 5.480 10.266 3.493 1.00 0.59 C ATOM 87 OG1 THR A 6 5.058 10.984 2.314 1.00 0.65 O ATOM 88 CG2 THR A 6 6.944 10.576 3.777 1.00 0.72 C ATOM 0 H THR A 6 5.894 8.929 1.321 1.00 0.37 H new ATOM 0 HA THR A 6 5.673 8.231 4.152 1.00 0.42 H new ATOM 0 HB THR A 6 4.885 10.579 4.351 1.00 0.59 H new ATOM 0 HG1 THR A 6 5.654 10.765 1.567 1.00 0.65 H new ATOM 0 HG21 THR A 6 7.067 11.649 3.923 1.00 0.72 H new ATOM 0 HG22 THR A 6 7.260 10.049 4.677 1.00 0.72 H new ATOM 0 HG23 THR A 6 7.555 10.252 2.934 1.00 0.72 H new ATOM 96 N THR A 7 2.982 8.949 4.048 1.00 0.40 N ATOM 97 CA THR A 7 1.550 8.775 4.044 1.00 0.43 C ATOM 98 C THR A 7 0.965 9.211 2.692 1.00 0.41 C ATOM 99 O THR A 7 0.270 8.442 2.046 1.00 0.43 O ATOM 100 CB THR A 7 0.940 9.603 5.187 1.00 0.58 C ATOM 101 OG1 THR A 7 1.664 9.306 6.404 1.00 0.69 O ATOM 102 CG2 THR A 7 -0.531 9.253 5.383 1.00 0.66 C ATOM 0 H THR A 7 3.319 9.516 4.826 1.00 0.40 H new ATOM 0 HA THR A 7 1.310 7.722 4.193 1.00 0.43 H new ATOM 0 HB THR A 7 1.014 10.662 4.941 1.00 0.58 H new ATOM 0 HG1 THR A 7 1.288 9.828 7.144 1.00 0.69 H new ATOM 0 HG21 THR A 7 -0.942 9.851 6.197 1.00 0.66 H new ATOM 0 HG22 THR A 7 -1.080 9.463 4.465 1.00 0.66 H new ATOM 0 HG23 THR A 7 -0.624 8.195 5.627 1.00 0.66 H new ATOM 110 N ASP A 8 1.276 10.435 2.279 1.00 0.44 N ATOM 111 CA ASP A 8 0.796 11.003 1.004 1.00 0.51 C ATOM 112 C ASP A 8 1.208 10.165 -0.206 1.00 0.47 C ATOM 113 O ASP A 8 0.396 9.910 -1.101 1.00 0.52 O ATOM 114 CB ASP A 8 1.300 12.436 0.823 1.00 0.63 C ATOM 115 CG ASP A 8 0.910 13.024 -0.519 1.00 1.46 C ATOM 116 OD1 ASP A 8 -0.247 13.501 -0.667 1.00 1.63 O ATOM 117 OD2 ASP A 8 1.751 12.994 -1.462 1.00 2.38 O ATOM 0 H ASP A 8 1.869 11.070 2.813 1.00 0.44 H new ATOM 0 HA ASP A 8 -0.293 10.999 1.058 1.00 0.51 H new ATOM 0 HB2 ASP A 8 0.899 13.062 1.620 1.00 0.63 H new ATOM 0 HB3 ASP A 8 2.385 12.451 0.921 1.00 0.63 H new ATOM 122 N ASP A 9 2.449 9.690 -0.196 1.00 0.45 N ATOM 123 CA ASP A 9 2.998 8.925 -1.330 1.00 0.49 C ATOM 124 C ASP A 9 2.261 7.628 -1.480 1.00 0.47 C ATOM 125 O ASP A 9 2.012 7.157 -2.593 1.00 0.56 O ATOM 126 CB ASP A 9 4.487 8.605 -1.148 1.00 0.60 C ATOM 127 CG ASP A 9 5.368 9.807 -1.033 1.00 1.11 C ATOM 128 OD1 ASP A 9 5.511 10.549 -2.031 1.00 1.08 O ATOM 129 OD2 ASP A 9 5.942 10.032 0.033 1.00 2.00 O ATOM 0 H ASP A 9 3.099 9.816 0.579 1.00 0.45 H new ATOM 0 HA ASP A 9 2.878 9.549 -2.216 1.00 0.49 H new ATOM 0 HB2 ASP A 9 4.608 7.994 -0.253 1.00 0.60 H new ATOM 0 HB3 ASP A 9 4.823 8.003 -1.993 1.00 0.60 H new ATOM 134 N LEU A 10 1.961 7.032 -0.357 1.00 0.42 N ATOM 135 CA LEU A 10 1.187 5.826 -0.300 1.00 0.44 C ATOM 136 C LEU A 10 -0.266 6.125 -0.698 1.00 0.42 C ATOM 137 O LEU A 10 -0.811 5.497 -1.598 1.00 0.50 O ATOM 138 CB LEU A 10 1.252 5.267 1.124 1.00 0.45 C ATOM 139 CG LEU A 10 0.519 3.958 1.393 1.00 0.48 C ATOM 140 CD1 LEU A 10 1.156 2.802 0.635 1.00 0.66 C ATOM 141 CD2 LEU A 10 0.485 3.671 2.875 1.00 0.80 C ATOM 0 H LEU A 10 2.253 7.378 0.557 1.00 0.42 H new ATOM 0 HA LEU A 10 1.588 5.088 -0.995 1.00 0.44 H new ATOM 0 HB2 LEU A 10 2.301 5.126 1.384 1.00 0.45 H new ATOM 0 HB3 LEU A 10 0.854 6.022 1.802 1.00 0.45 H new ATOM 0 HG LEU A 10 -0.505 4.064 1.035 1.00 0.48 H new ATOM 0 HD11 LEU A 10 0.610 1.883 0.848 1.00 0.66 H new ATOM 0 HD12 LEU A 10 1.121 3.005 -0.435 1.00 0.66 H new ATOM 0 HD13 LEU A 10 2.194 2.689 0.949 1.00 0.66 H new ATOM 0 HD21 LEU A 10 -0.042 2.733 3.052 1.00 0.80 H new ATOM 0 HD22 LEU A 10 1.504 3.592 3.254 1.00 0.80 H new ATOM 0 HD23 LEU A 10 -0.032 4.480 3.391 1.00 0.80 H new ATOM 153 N ARG A 11 -0.837 7.144 -0.054 1.00 0.40 N ATOM 154 CA ARG A 11 -2.250 7.554 -0.190 1.00 0.41 C ATOM 155 C ARG A 11 -2.690 7.688 -1.641 1.00 0.40 C ATOM 156 O ARG A 11 -3.756 7.194 -2.004 1.00 0.42 O ATOM 157 CB ARG A 11 -2.471 8.887 0.544 1.00 0.48 C ATOM 158 CG ARG A 11 -3.930 9.298 0.684 1.00 0.58 C ATOM 159 CD ARG A 11 -4.073 10.612 1.447 1.00 0.72 C ATOM 160 NE ARG A 11 -3.331 11.721 0.827 1.00 1.24 N ATOM 161 CZ ARG A 11 -3.435 13.010 1.195 1.00 1.74 C ATOM 162 NH1 ARG A 11 -4.437 13.400 1.982 1.00 2.01 N ATOM 163 NH2 ARG A 11 -2.568 13.912 0.741 1.00 2.57 N ATOM 0 H ARG A 11 -0.318 7.731 0.600 1.00 0.40 H new ATOM 0 HA ARG A 11 -2.858 6.767 0.256 1.00 0.41 H new ATOM 0 HB2 ARG A 11 -2.030 8.817 1.538 1.00 0.48 H new ATOM 0 HB3 ARG A 11 -1.935 9.673 0.012 1.00 0.48 H new ATOM 0 HG2 ARG A 11 -4.376 9.401 -0.305 1.00 0.58 H new ATOM 0 HG3 ARG A 11 -4.481 8.514 1.203 1.00 0.58 H new ATOM 0 HD2 ARG A 11 -5.128 10.877 1.508 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -3.720 10.473 2.469 1.00 0.72 H new ATOM 0 HE ARG A 11 -2.693 11.496 0.064 1.00 1.24 H new ATOM 0 HH11 ARG A 11 -5.126 12.721 2.306 1.00 2.01 H new ATOM 0 HH12 ARG A 11 -4.515 14.378 2.261 1.00 2.01 H new ATOM 0 HH21 ARG A 11 -1.819 13.627 0.110 1.00 2.57 H new ATOM 0 HH22 ARG A 11 -2.653 14.888 1.024 1.00 2.57 H new ATOM 177 N ARG A 12 -1.867 8.333 -2.466 1.00 0.43 N ATOM 178 CA ARG A 12 -2.192 8.539 -3.888 1.00 0.49 C ATOM 179 C ARG A 12 -2.450 7.208 -4.625 1.00 0.49 C ATOM 180 O ARG A 12 -3.311 7.134 -5.517 1.00 0.59 O ATOM 181 CB ARG A 12 -1.106 9.366 -4.605 1.00 0.64 C ATOM 182 CG ARG A 12 0.265 8.715 -4.643 1.00 0.85 C ATOM 183 CD ARG A 12 1.269 9.572 -5.379 1.00 1.00 C ATOM 184 NE ARG A 12 2.586 8.919 -5.477 1.00 1.77 N ATOM 185 CZ ARG A 12 3.549 9.296 -6.342 1.00 2.43 C ATOM 186 NH1 ARG A 12 3.332 10.309 -7.169 1.00 2.51 N ATOM 187 NH2 ARG A 12 4.720 8.654 -6.381 1.00 3.48 N ATOM 0 H ARG A 12 -0.969 8.724 -2.180 1.00 0.43 H new ATOM 0 HA ARG A 12 -3.120 9.110 -3.916 1.00 0.49 H new ATOM 0 HB2 ARG A 12 -1.431 9.558 -5.628 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -1.020 10.334 -4.111 1.00 0.64 H new ATOM 0 HG2 ARG A 12 0.613 8.539 -3.625 1.00 0.85 H new ATOM 0 HG3 ARG A 12 0.193 7.741 -5.128 1.00 0.85 H new ATOM 0 HD2 ARG A 12 0.896 9.788 -6.380 1.00 1.00 H new ATOM 0 HD3 ARG A 12 1.376 10.528 -4.865 1.00 1.00 H new ATOM 0 HE ARG A 12 2.781 8.135 -4.854 1.00 1.77 H new ATOM 0 HH11 ARG A 12 2.439 10.801 -7.150 1.00 2.51 H new ATOM 0 HH12 ARG A 12 4.058 10.597 -7.825 1.00 2.51 H new ATOM 0 HH21 ARG A 12 4.893 7.870 -5.752 1.00 3.48 H new ATOM 0 HH22 ARG A 12 5.441 8.948 -7.040 1.00 3.48 H new ATOM 201 N ALA A 13 -1.696 6.180 -4.262 1.00 0.50 N ATOM 202 CA ALA A 13 -1.844 4.860 -4.845 1.00 0.59 C ATOM 203 C ALA A 13 -3.133 4.197 -4.363 1.00 0.55 C ATOM 204 O ALA A 13 -3.853 3.575 -5.150 1.00 0.65 O ATOM 205 CB ALA A 13 -0.631 4.005 -4.546 1.00 0.70 C ATOM 0 H ALA A 13 -0.964 6.241 -3.554 1.00 0.50 H new ATOM 0 HA ALA A 13 -1.914 4.965 -5.928 1.00 0.59 H new ATOM 0 HB1 ALA A 13 -0.762 3.019 -4.992 1.00 0.70 H new ATOM 0 HB2 ALA A 13 0.259 4.477 -4.963 1.00 0.70 H new ATOM 0 HB3 ALA A 13 -0.515 3.903 -3.467 1.00 0.70 H new ATOM 211 N LEU A 14 -3.434 4.366 -3.070 1.00 0.47 N ATOM 212 CA LEU A 14 -4.664 3.811 -2.480 1.00 0.48 C ATOM 213 C LEU A 14 -5.876 4.456 -3.117 1.00 0.53 C ATOM 214 O LEU A 14 -6.750 3.772 -3.634 1.00 0.70 O ATOM 215 CB LEU A 14 -4.735 4.015 -0.941 1.00 0.48 C ATOM 216 CG LEU A 14 -3.910 3.084 -0.022 1.00 0.56 C ATOM 217 CD1 LEU A 14 -4.281 1.630 -0.211 1.00 0.52 C ATOM 218 CD2 LEU A 14 -2.440 3.279 -0.200 1.00 0.92 C ATOM 0 H LEU A 14 -2.847 4.880 -2.412 1.00 0.47 H new ATOM 0 HA LEU A 14 -4.651 2.738 -2.674 1.00 0.48 H new ATOM 0 HB2 LEU A 14 -4.429 5.040 -0.731 1.00 0.48 H new ATOM 0 HB3 LEU A 14 -5.780 3.927 -0.645 1.00 0.48 H new ATOM 0 HG LEU A 14 -4.161 3.363 1.001 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -3.678 1.011 0.453 1.00 0.52 H new ATOM 0 HD12 LEU A 14 -5.337 1.491 0.022 1.00 0.52 H new ATOM 0 HD13 LEU A 14 -4.096 1.339 -1.245 1.00 0.52 H new ATOM 0 HD21 LEU A 14 -1.900 2.605 0.465 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -2.167 3.065 -1.233 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -2.178 4.310 0.038 1.00 0.92 H new ATOM 230 N VAL A 15 -5.885 5.790 -3.140 1.00 0.49 N ATOM 231 CA VAL A 15 -6.993 6.566 -3.708 1.00 0.60 C ATOM 232 C VAL A 15 -7.252 6.199 -5.191 1.00 0.66 C ATOM 233 O VAL A 15 -8.373 6.346 -5.704 1.00 0.87 O ATOM 234 CB VAL A 15 -6.792 8.111 -3.494 1.00 0.64 C ATOM 235 CG1 VAL A 15 -7.882 8.934 -4.161 1.00 0.88 C ATOM 236 CG2 VAL A 15 -6.758 8.428 -2.005 1.00 0.84 C ATOM 0 H VAL A 15 -5.128 6.363 -2.767 1.00 0.49 H new ATOM 0 HA VAL A 15 -7.895 6.293 -3.161 1.00 0.60 H new ATOM 0 HB VAL A 15 -5.843 8.379 -3.959 1.00 0.64 H new ATOM 0 HG11 VAL A 15 -7.698 9.994 -3.984 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -7.880 8.740 -5.234 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -8.851 8.660 -3.745 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -6.618 9.500 -1.864 1.00 0.84 H new ATOM 0 HG22 VAL A 15 -7.698 8.121 -1.546 1.00 0.84 H new ATOM 0 HG23 VAL A 15 -5.933 7.890 -1.537 1.00 0.84 H new ATOM 246 N GLU A 16 -6.247 5.635 -5.838 1.00 0.64 N ATOM 247 CA GLU A 16 -6.389 5.162 -7.192 1.00 0.77 C ATOM 248 C GLU A 16 -7.196 3.865 -7.184 1.00 0.70 C ATOM 249 O GLU A 16 -8.236 3.762 -7.830 1.00 0.81 O ATOM 250 CB GLU A 16 -5.019 4.879 -7.798 1.00 0.95 C ATOM 251 CG GLU A 16 -5.073 4.396 -9.235 1.00 1.63 C ATOM 252 CD GLU A 16 -5.419 5.491 -10.197 1.00 1.66 C ATOM 253 OE1 GLU A 16 -6.591 5.884 -10.288 1.00 2.10 O ATOM 254 OE2 GLU A 16 -4.505 6.001 -10.865 1.00 1.92 O ATOM 0 H GLU A 16 -5.319 5.496 -5.438 1.00 0.64 H new ATOM 0 HA GLU A 16 -6.895 5.925 -7.783 1.00 0.77 H new ATOM 0 HB2 GLU A 16 -4.417 5.787 -7.752 1.00 0.95 H new ATOM 0 HB3 GLU A 16 -4.512 4.129 -7.191 1.00 0.95 H new ATOM 0 HG2 GLU A 16 -4.108 3.969 -9.508 1.00 1.63 H new ATOM 0 HG3 GLU A 16 -5.810 3.597 -9.319 1.00 1.63 H new ATOM 261 N SER A 17 -6.741 2.913 -6.391 1.00 0.58 N ATOM 262 CA SER A 17 -7.321 1.581 -6.332 1.00 0.61 C ATOM 263 C SER A 17 -8.705 1.568 -5.667 1.00 0.69 C ATOM 264 O SER A 17 -9.476 0.625 -5.843 1.00 0.82 O ATOM 265 CB SER A 17 -6.319 0.645 -5.659 1.00 0.57 C ATOM 266 OG SER A 17 -5.064 0.768 -6.334 1.00 1.00 O ATOM 0 H SER A 17 -5.949 3.043 -5.762 1.00 0.58 H new ATOM 0 HA SER A 17 -7.508 1.223 -7.344 1.00 0.61 H new ATOM 0 HB2 SER A 17 -6.210 0.901 -4.605 1.00 0.57 H new ATOM 0 HB3 SER A 17 -6.674 -0.385 -5.702 1.00 0.57 H new ATOM 0 HG SER A 17 -5.211 0.760 -7.303 1.00 1.00 H new ATOM 400 N ASP A 29 -7.533 9.997 5.410 1.00 0.68 N ATOM 401 CA ASP A 29 -6.903 9.073 6.324 1.00 0.75 C ATOM 402 C ASP A 29 -7.352 7.646 6.064 1.00 0.61 C ATOM 403 O ASP A 29 -8.501 7.395 5.694 1.00 0.71 O ATOM 404 CB ASP A 29 -7.130 9.482 7.774 1.00 1.18 C ATOM 405 CG ASP A 29 -6.409 8.578 8.734 1.00 1.63 C ATOM 406 OD1 ASP A 29 -5.204 8.331 8.541 1.00 2.14 O ATOM 407 OD2 ASP A 29 -7.040 8.083 9.699 1.00 2.17 O ATOM 0 HA ASP A 29 -5.829 9.112 6.144 1.00 0.75 H new ATOM 0 HB2 ASP A 29 -6.791 10.508 7.918 1.00 1.18 H new ATOM 0 HB3 ASP A 29 -8.198 9.465 7.992 1.00 1.18 H new ATOM 412 N PHE A 30 -6.435 6.730 6.242 1.00 0.48 N ATOM 413 CA PHE A 30 -6.628 5.317 5.893 1.00 0.41 C ATOM 414 C PHE A 30 -5.556 4.469 6.589 1.00 0.34 C ATOM 415 O PHE A 30 -5.780 3.336 6.958 1.00 0.34 O ATOM 416 CB PHE A 30 -6.487 5.162 4.339 1.00 0.47 C ATOM 417 CG PHE A 30 -5.094 5.485 3.815 1.00 0.39 C ATOM 418 CD1 PHE A 30 -4.628 6.777 3.807 1.00 0.61 C ATOM 419 CD2 PHE A 30 -4.281 4.491 3.293 1.00 0.44 C ATOM 420 CE1 PHE A 30 -3.383 7.071 3.299 1.00 0.71 C ATOM 421 CE2 PHE A 30 -3.045 4.780 2.780 1.00 0.52 C ATOM 422 CZ PHE A 30 -2.531 6.069 2.944 1.00 0.60 C ATOM 0 H PHE A 30 -5.517 6.931 6.637 1.00 0.48 H new ATOM 0 HA PHE A 30 -7.615 4.984 6.214 1.00 0.41 H new ATOM 0 HB2 PHE A 30 -6.742 4.140 4.060 1.00 0.47 H new ATOM 0 HB3 PHE A 30 -7.210 5.816 3.851 1.00 0.47 H new ATOM 0 HD1 PHE A 30 -5.245 7.570 4.203 1.00 0.61 H new ATOM 0 HD2 PHE A 30 -4.629 3.469 3.291 1.00 0.44 H new ATOM 0 HE1 PHE A 30 -3.080 8.101 3.181 1.00 0.71 H new ATOM 0 HE2 PHE A 30 -2.477 4.025 2.257 1.00 0.52 H new ATOM 0 HZ PHE A 30 -1.480 6.267 2.792 1.00 0.60 H new ATOM 432 N LEU A 31 -4.394 5.099 6.744 1.00 0.36 N ATOM 433 CA LEU A 31 -3.129 4.531 7.197 1.00 0.36 C ATOM 434 C LEU A 31 -3.207 3.670 8.480 1.00 0.35 C ATOM 435 O LEU A 31 -2.460 2.691 8.613 1.00 0.37 O ATOM 436 CB LEU A 31 -2.138 5.687 7.367 1.00 0.44 C ATOM 437 CG LEU A 31 -0.679 5.333 7.606 1.00 0.51 C ATOM 438 CD1 LEU A 31 -0.077 4.722 6.357 1.00 0.52 C ATOM 439 CD2 LEU A 31 0.095 6.563 8.018 1.00 0.64 C ATOM 0 H LEU A 31 -4.307 6.095 6.541 1.00 0.36 H new ATOM 0 HA LEU A 31 -2.802 3.822 6.437 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -2.191 6.309 6.474 1.00 0.44 H new ATOM 0 HB3 LEU A 31 -2.476 6.300 8.203 1.00 0.44 H new ATOM 0 HG LEU A 31 -0.622 4.601 8.412 1.00 0.51 H new ATOM 0 HD11 LEU A 31 0.968 4.473 6.541 1.00 0.52 H new ATOM 0 HD12 LEU A 31 -0.625 3.817 6.094 1.00 0.52 H new ATOM 0 HD13 LEU A 31 -0.141 5.436 5.536 1.00 0.52 H new ATOM 0 HD21 LEU A 31 1.139 6.297 8.186 1.00 0.64 H new ATOM 0 HD22 LEU A 31 0.034 7.312 7.229 1.00 0.64 H new ATOM 0 HD23 LEU A 31 -0.329 6.969 8.937 1.00 0.64 H new ATOM 451 N ASP A 32 -4.099 4.010 9.383 1.00 0.38 N ATOM 452 CA ASP A 32 -4.194 3.310 10.668 1.00 0.45 C ATOM 453 C ASP A 32 -5.308 2.269 10.658 1.00 0.41 C ATOM 454 O ASP A 32 -5.311 1.322 11.464 1.00 0.47 O ATOM 455 CB ASP A 32 -4.418 4.328 11.794 1.00 0.64 C ATOM 456 CG ASP A 32 -4.612 3.706 13.159 1.00 1.55 C ATOM 457 OD1 ASP A 32 -3.608 3.326 13.804 1.00 2.06 O ATOM 458 OD2 ASP A 32 -5.770 3.639 13.638 1.00 2.29 O ATOM 0 H ASP A 32 -4.774 4.765 9.262 1.00 0.38 H new ATOM 0 HA ASP A 32 -3.257 2.781 10.840 1.00 0.45 H new ATOM 0 HB2 ASP A 32 -3.564 5.004 11.833 1.00 0.64 H new ATOM 0 HB3 ASP A 32 -5.293 4.932 11.554 1.00 0.64 H new ATOM 463 N LEU A 33 -6.220 2.408 9.734 1.00 0.41 N ATOM 464 CA LEU A 33 -7.349 1.514 9.649 1.00 0.45 C ATOM 465 C LEU A 33 -6.979 0.265 8.880 1.00 0.44 C ATOM 466 O LEU A 33 -6.113 0.290 8.014 1.00 0.56 O ATOM 467 CB LEU A 33 -8.548 2.205 8.984 1.00 0.51 C ATOM 468 CG LEU A 33 -9.142 3.401 9.735 1.00 0.85 C ATOM 469 CD1 LEU A 33 -10.260 4.035 8.924 1.00 1.65 C ATOM 470 CD2 LEU A 33 -9.661 2.970 11.099 1.00 1.61 C ATOM 0 H LEU A 33 -6.205 3.138 9.022 1.00 0.41 H new ATOM 0 HA LEU A 33 -7.632 1.233 10.664 1.00 0.45 H new ATOM 0 HB2 LEU A 33 -8.244 2.540 7.992 1.00 0.51 H new ATOM 0 HB3 LEU A 33 -9.335 1.464 8.842 1.00 0.51 H new ATOM 0 HG LEU A 33 -8.354 4.140 9.881 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -10.671 4.883 9.472 1.00 1.65 H new ATOM 0 HD12 LEU A 33 -9.866 4.378 7.967 1.00 1.65 H new ATOM 0 HD13 LEU A 33 -11.046 3.300 8.751 1.00 1.65 H new ATOM 0 HD21 LEU A 33 -10.079 3.832 11.618 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -10.435 2.213 10.971 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -8.841 2.556 11.686 1.00 1.61 H new ATOM 482 N ARG A 34 -7.613 -0.820 9.212 1.00 0.45 N ATOM 483 CA ARG A 34 -7.373 -2.077 8.547 1.00 0.50 C ATOM 484 C ARG A 34 -8.043 -1.999 7.180 1.00 0.45 C ATOM 485 O ARG A 34 -9.140 -1.436 7.065 1.00 0.54 O ATOM 486 CB ARG A 34 -8.004 -3.203 9.381 1.00 0.71 C ATOM 487 CG ARG A 34 -7.219 -4.515 9.434 1.00 1.08 C ATOM 488 CD ARG A 34 -7.098 -5.242 8.104 1.00 1.18 C ATOM 489 NE ARG A 34 -6.291 -6.443 8.273 1.00 1.90 N ATOM 490 CZ ARG A 34 -5.967 -7.355 7.341 1.00 2.49 C ATOM 491 NH1 ARG A 34 -6.501 -7.347 6.113 1.00 2.61 N ATOM 492 NH2 ARG A 34 -5.136 -8.321 7.684 1.00 3.35 N ATOM 0 H ARG A 34 -8.313 -0.864 9.952 1.00 0.45 H new ATOM 0 HA ARG A 34 -6.307 -2.276 8.435 1.00 0.50 H new ATOM 0 HB2 ARG A 34 -8.140 -2.842 10.400 1.00 0.71 H new ATOM 0 HB3 ARG A 34 -8.997 -3.412 8.982 1.00 0.71 H new ATOM 0 HG2 ARG A 34 -6.217 -4.307 9.811 1.00 1.08 H new ATOM 0 HG3 ARG A 34 -7.698 -5.180 10.153 1.00 1.08 H new ATOM 0 HD2 ARG A 34 -8.088 -5.507 7.732 1.00 1.18 H new ATOM 0 HD3 ARG A 34 -6.642 -4.588 7.361 1.00 1.18 H new ATOM 0 HE ARG A 34 -5.928 -6.612 9.211 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -7.180 -6.630 5.857 1.00 2.61 H new ATOM 0 HH12 ARG A 34 -6.228 -8.057 5.434 1.00 2.61 H new ATOM 0 HH21 ARG A 34 -4.761 -8.359 8.632 1.00 3.35 H new ATOM 0 HH22 ARG A 34 -4.869 -9.030 7.001 1.00 3.35 H new ATOM 506 N PHE A 35 -7.387 -2.533 6.153 1.00 0.40 N ATOM 507 CA PHE A 35 -7.910 -2.520 4.767 1.00 0.40 C ATOM 508 C PHE A 35 -9.378 -2.978 4.667 1.00 0.46 C ATOM 509 O PHE A 35 -10.145 -2.456 3.853 1.00 0.49 O ATOM 510 CB PHE A 35 -7.047 -3.371 3.838 1.00 0.39 C ATOM 511 CG PHE A 35 -5.669 -2.831 3.597 1.00 0.35 C ATOM 512 CD1 PHE A 35 -5.449 -1.894 2.599 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.596 -3.269 4.347 1.00 0.35 C ATOM 514 CE1 PHE A 35 -4.183 -1.405 2.358 1.00 0.49 C ATOM 515 CE2 PHE A 35 -3.328 -2.786 4.107 1.00 0.41 C ATOM 516 CZ PHE A 35 -3.122 -1.854 3.110 1.00 0.48 C ATOM 0 H PHE A 35 -6.479 -2.989 6.245 1.00 0.40 H new ATOM 0 HA PHE A 35 -7.868 -1.478 4.450 1.00 0.40 H new ATOM 0 HB2 PHE A 35 -6.962 -4.373 4.259 1.00 0.39 H new ATOM 0 HB3 PHE A 35 -7.557 -3.470 2.880 1.00 0.39 H new ATOM 0 HD1 PHE A 35 -6.279 -1.543 2.004 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -4.752 -3.997 5.129 1.00 0.35 H new ATOM 0 HE1 PHE A 35 -4.024 -0.672 1.581 1.00 0.49 H new ATOM 0 HE2 PHE A 35 -2.495 -3.137 4.699 1.00 0.41 H new ATOM 0 HZ PHE A 35 -2.128 -1.477 2.920 1.00 0.48 H new ATOM 526 N GLU A 36 -9.749 -3.939 5.492 1.00 0.58 N ATOM 527 CA GLU A 36 -11.111 -4.483 5.541 1.00 0.74 C ATOM 528 C GLU A 36 -12.129 -3.369 5.806 1.00 0.75 C ATOM 529 O GLU A 36 -13.192 -3.316 5.188 1.00 0.84 O ATOM 530 CB GLU A 36 -11.240 -5.526 6.662 1.00 0.92 C ATOM 531 CG GLU A 36 -10.066 -6.482 6.796 1.00 1.14 C ATOM 532 CD GLU A 36 -9.653 -7.126 5.505 1.00 1.56 C ATOM 533 OE1 GLU A 36 -10.245 -8.152 5.159 1.00 1.93 O ATOM 534 OE2 GLU A 36 -8.766 -6.589 4.808 1.00 2.26 O ATOM 0 H GLU A 36 -9.112 -4.375 6.159 1.00 0.58 H new ATOM 0 HA GLU A 36 -11.311 -4.948 4.576 1.00 0.74 H new ATOM 0 HB2 GLU A 36 -11.372 -5.003 7.609 1.00 0.92 H new ATOM 0 HB3 GLU A 36 -12.145 -6.109 6.491 1.00 0.92 H new ATOM 0 HG2 GLU A 36 -9.215 -5.940 7.209 1.00 1.14 H new ATOM 0 HG3 GLU A 36 -10.325 -7.262 7.512 1.00 1.14 H new ATOM 541 N ASP A 37 -11.753 -2.453 6.677 1.00 0.70 N ATOM 542 CA ASP A 37 -12.638 -1.386 7.145 1.00 0.77 C ATOM 543 C ASP A 37 -12.604 -0.204 6.190 1.00 0.71 C ATOM 544 O ASP A 37 -13.473 0.675 6.212 1.00 0.80 O ATOM 545 CB ASP A 37 -12.219 -0.965 8.559 1.00 0.85 C ATOM 546 CG ASP A 37 -13.118 0.078 9.196 1.00 1.48 C ATOM 547 OD1 ASP A 37 -14.329 -0.174 9.343 1.00 1.64 O ATOM 548 OD2 ASP A 37 -12.619 1.155 9.590 1.00 2.27 O ATOM 0 H ASP A 37 -10.820 -2.422 7.087 1.00 0.70 H new ATOM 0 HA ASP A 37 -13.664 -1.754 7.175 1.00 0.77 H new ATOM 0 HB2 ASP A 37 -12.200 -1.849 9.197 1.00 0.85 H new ATOM 0 HB3 ASP A 37 -11.201 -0.576 8.522 1.00 0.85 H new ATOM 553 N ILE A 38 -11.613 -0.192 5.318 1.00 0.62 N ATOM 554 CA ILE A 38 -11.537 0.845 4.314 1.00 0.65 C ATOM 555 C ILE A 38 -12.064 0.349 2.972 1.00 0.69 C ATOM 556 O ILE A 38 -11.989 1.050 1.972 1.00 0.75 O ATOM 557 CB ILE A 38 -10.123 1.510 4.163 1.00 0.61 C ATOM 558 CG1 ILE A 38 -9.023 0.466 3.853 1.00 0.53 C ATOM 559 CG2 ILE A 38 -9.780 2.307 5.417 1.00 0.67 C ATOM 560 CD1 ILE A 38 -7.628 1.049 3.650 1.00 0.56 C ATOM 0 H ILE A 38 -10.860 -0.880 5.286 1.00 0.62 H new ATOM 0 HA ILE A 38 -12.185 1.643 4.677 1.00 0.65 H new ATOM 0 HB ILE A 38 -10.164 2.191 3.313 1.00 0.61 H new ATOM 0 HG12 ILE A 38 -8.985 -0.255 4.670 1.00 0.53 H new ATOM 0 HG13 ILE A 38 -9.306 -0.084 2.955 1.00 0.53 H new ATOM 0 HG21 ILE A 38 -8.797 2.764 5.300 1.00 0.67 H new ATOM 0 HG22 ILE A 38 -10.527 3.087 5.568 1.00 0.67 H new ATOM 0 HG23 ILE A 38 -9.771 1.641 6.280 1.00 0.67 H new ATOM 0 HD11 ILE A 38 -6.924 0.244 3.438 1.00 0.56 H new ATOM 0 HD12 ILE A 38 -7.644 1.747 2.813 1.00 0.56 H new ATOM 0 HD13 ILE A 38 -7.318 1.573 4.554 1.00 0.56 H new ATOM 572 N GLY A 39 -12.668 -0.841 2.992 1.00 0.72 N ATOM 573 CA GLY A 39 -13.281 -1.422 1.805 1.00 0.81 C ATOM 574 C GLY A 39 -12.281 -1.888 0.756 1.00 0.67 C ATOM 575 O GLY A 39 -12.574 -1.870 -0.438 1.00 0.72 O ATOM 0 H GLY A 39 -12.744 -1.422 3.827 1.00 0.72 H new ATOM 0 HA2 GLY A 39 -13.898 -2.269 2.105 1.00 0.81 H new ATOM 0 HA3 GLY A 39 -13.947 -0.686 1.355 1.00 0.81 H new ATOM 579 N TYR A 40 -11.117 -2.304 1.177 1.00 0.57 N ATOM 580 CA TYR A 40 -10.105 -2.762 0.252 1.00 0.54 C ATOM 581 C TYR A 40 -10.036 -4.258 0.171 1.00 0.64 C ATOM 582 O TYR A 40 -9.751 -4.922 1.163 1.00 0.79 O ATOM 583 CB TYR A 40 -8.743 -2.184 0.599 1.00 0.55 C ATOM 584 CG TYR A 40 -8.541 -0.793 0.097 1.00 0.55 C ATOM 585 CD1 TYR A 40 -9.332 0.241 0.536 1.00 0.71 C ATOM 586 CD2 TYR A 40 -7.561 -0.519 -0.831 1.00 0.68 C ATOM 587 CE1 TYR A 40 -9.161 1.509 0.078 1.00 0.87 C ATOM 588 CE2 TYR A 40 -7.377 0.751 -1.300 1.00 0.82 C ATOM 589 CZ TYR A 40 -8.186 1.767 -0.834 1.00 0.89 C ATOM 590 OH TYR A 40 -8.014 3.036 -1.275 1.00 1.12 O ATOM 0 H TYR A 40 -10.841 -2.337 2.158 1.00 0.57 H new ATOM 0 HA TYR A 40 -10.398 -2.399 -0.733 1.00 0.54 H new ATOM 0 HB2 TYR A 40 -8.619 -2.193 1.682 1.00 0.55 H new ATOM 0 HB3 TYR A 40 -7.967 -2.828 0.184 1.00 0.55 H new ATOM 0 HD1 TYR A 40 -10.107 0.042 1.261 1.00 0.71 H new ATOM 0 HD2 TYR A 40 -6.930 -1.318 -1.192 1.00 0.68 H new ATOM 0 HE1 TYR A 40 -9.795 2.306 0.436 1.00 0.87 H new ATOM 0 HE2 TYR A 40 -6.606 0.958 -2.028 1.00 0.82 H new ATOM 0 HH TYR A 40 -7.717 3.020 -2.209 1.00 1.12 H new ATOM 600 N ASP A 41 -10.324 -4.787 -0.998 1.00 0.68 N ATOM 601 CA ASP A 41 -10.195 -6.212 -1.246 1.00 0.90 C ATOM 602 C ASP A 41 -8.780 -6.459 -1.730 1.00 1.04 C ATOM 603 O ASP A 41 -8.012 -5.491 -1.929 1.00 1.93 O ATOM 604 CB ASP A 41 -11.198 -6.710 -2.322 1.00 1.00 C ATOM 605 CG ASP A 41 -10.776 -6.406 -3.762 1.00 1.48 C ATOM 606 OD1 ASP A 41 -10.699 -5.209 -4.133 1.00 2.20 O ATOM 607 OD2 ASP A 41 -10.530 -7.355 -4.548 1.00 2.00 O ATOM 0 H ASP A 41 -10.652 -4.249 -1.800 1.00 0.68 H new ATOM 0 HA ASP A 41 -10.412 -6.756 -0.327 1.00 0.90 H new ATOM 0 HB2 ASP A 41 -11.326 -7.787 -2.212 1.00 1.00 H new ATOM 0 HB3 ASP A 41 -12.170 -6.253 -2.136 1.00 1.00 H new ATOM 612 N SER A 42 -8.440 -7.712 -1.924 1.00 0.72 N ATOM 613 CA SER A 42 -7.140 -8.121 -2.405 1.00 0.68 C ATOM 614 C SER A 42 -6.710 -7.366 -3.683 1.00 0.54 C ATOM 615 O SER A 42 -5.582 -6.884 -3.760 1.00 0.51 O ATOM 616 CB SER A 42 -7.157 -9.615 -2.624 1.00 0.82 C ATOM 617 OG SER A 42 -8.358 -9.976 -3.377 1.00 0.86 O ATOM 0 H SER A 42 -9.073 -8.492 -1.748 1.00 0.72 H new ATOM 0 HA SER A 42 -6.395 -7.864 -1.652 1.00 0.68 H new ATOM 0 HB2 SER A 42 -6.265 -9.925 -3.168 1.00 0.82 H new ATOM 0 HB3 SER A 42 -7.143 -10.135 -1.666 1.00 0.82 H new ATOM 0 HG SER A 42 -8.373 -10.945 -3.524 1.00 0.86 H new ATOM 622 N LEU A 43 -7.635 -7.218 -4.645 1.00 0.52 N ATOM 623 CA LEU A 43 -7.348 -6.548 -5.920 1.00 0.48 C ATOM 624 C LEU A 43 -7.018 -5.090 -5.677 1.00 0.39 C ATOM 625 O LEU A 43 -6.001 -4.596 -6.156 1.00 0.37 O ATOM 626 CB LEU A 43 -8.543 -6.713 -6.919 1.00 0.64 C ATOM 627 CG LEU A 43 -8.408 -6.177 -8.389 1.00 0.83 C ATOM 628 CD1 LEU A 43 -8.423 -4.648 -8.485 1.00 1.64 C ATOM 629 CD2 LEU A 43 -7.163 -6.736 -9.060 1.00 1.57 C ATOM 0 H LEU A 43 -8.594 -7.556 -4.561 1.00 0.52 H new ATOM 0 HA LEU A 43 -6.479 -7.019 -6.379 1.00 0.48 H new ATOM 0 HB2 LEU A 43 -8.772 -7.777 -6.980 1.00 0.64 H new ATOM 0 HB3 LEU A 43 -9.410 -6.226 -6.473 1.00 0.64 H new ATOM 0 HG LEU A 43 -9.293 -6.531 -8.918 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -8.326 -4.348 -9.528 1.00 1.64 H new ATOM 0 HD12 LEU A 43 -9.362 -4.267 -8.084 1.00 1.64 H new ATOM 0 HD13 LEU A 43 -7.591 -4.239 -7.911 1.00 1.64 H new ATOM 0 HD21 LEU A 43 -7.093 -6.349 -10.077 1.00 1.57 H new ATOM 0 HD22 LEU A 43 -6.280 -6.436 -8.496 1.00 1.57 H new ATOM 0 HD23 LEU A 43 -7.223 -7.824 -9.089 1.00 1.57 H new ATOM 641 N ALA A 44 -7.856 -4.413 -4.908 1.00 0.41 N ATOM 642 CA ALA A 44 -7.650 -3.000 -4.631 1.00 0.39 C ATOM 643 C ALA A 44 -6.320 -2.779 -3.920 1.00 0.34 C ATOM 644 O ALA A 44 -5.536 -1.922 -4.301 1.00 0.35 O ATOM 645 CB ALA A 44 -8.797 -2.446 -3.797 1.00 0.49 C ATOM 0 H ALA A 44 -8.682 -4.817 -4.466 1.00 0.41 H new ATOM 0 HA ALA A 44 -7.624 -2.466 -5.581 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -8.625 -1.388 -3.600 1.00 0.49 H new ATOM 0 HB2 ALA A 44 -9.734 -2.566 -4.341 1.00 0.49 H new ATOM 0 HB3 ALA A 44 -8.854 -2.987 -2.852 1.00 0.49 H new ATOM 651 N LEU A 45 -6.052 -3.602 -2.937 1.00 0.37 N ATOM 652 CA LEU A 45 -4.845 -3.492 -2.152 1.00 0.42 C ATOM 653 C LEU A 45 -3.596 -3.737 -3.034 1.00 0.39 C ATOM 654 O LEU A 45 -2.636 -2.950 -3.011 1.00 0.43 O ATOM 655 CB LEU A 45 -4.931 -4.491 -0.974 1.00 0.54 C ATOM 656 CG LEU A 45 -3.905 -4.369 0.172 1.00 0.57 C ATOM 657 CD1 LEU A 45 -4.314 -5.270 1.294 1.00 0.75 C ATOM 658 CD2 LEU A 45 -2.507 -4.750 -0.262 1.00 0.94 C ATOM 0 H LEU A 45 -6.664 -4.368 -2.657 1.00 0.37 H new ATOM 0 HA LEU A 45 -4.748 -2.484 -1.749 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -5.926 -4.405 -0.538 1.00 0.54 H new ATOM 0 HB3 LEU A 45 -4.850 -5.497 -1.386 1.00 0.54 H new ATOM 0 HG LEU A 45 -3.889 -3.325 0.485 1.00 0.57 H new ATOM 0 HD11 LEU A 45 -3.593 -5.189 2.107 1.00 0.75 H new ATOM 0 HD12 LEU A 45 -5.301 -4.979 1.653 1.00 0.75 H new ATOM 0 HD13 LEU A 45 -4.347 -6.300 0.940 1.00 0.75 H new ATOM 0 HD21 LEU A 45 -1.824 -4.647 0.581 1.00 0.94 H new ATOM 0 HD22 LEU A 45 -2.503 -5.783 -0.608 1.00 0.94 H new ATOM 0 HD23 LEU A 45 -2.186 -4.095 -1.072 1.00 0.94 H new ATOM 670 N MET A 46 -3.620 -4.802 -3.819 1.00 0.36 N ATOM 671 CA MET A 46 -2.467 -5.163 -4.643 1.00 0.41 C ATOM 672 C MET A 46 -2.253 -4.187 -5.771 1.00 0.39 C ATOM 673 O MET A 46 -1.130 -3.989 -6.188 1.00 0.49 O ATOM 674 CB MET A 46 -2.574 -6.593 -5.181 1.00 0.43 C ATOM 675 CG MET A 46 -3.714 -6.823 -6.145 1.00 0.34 C ATOM 676 SD MET A 46 -3.379 -6.335 -7.861 1.00 0.73 S ATOM 677 CE MET A 46 -1.986 -7.381 -8.253 1.00 1.38 C ATOM 0 H MET A 46 -4.418 -5.431 -3.906 1.00 0.36 H new ATOM 0 HA MET A 46 -1.595 -5.115 -3.990 1.00 0.41 H new ATOM 0 HB2 MET A 46 -1.639 -6.850 -5.678 1.00 0.43 H new ATOM 0 HB3 MET A 46 -2.685 -7.276 -4.339 1.00 0.43 H new ATOM 0 HG2 MET A 46 -3.976 -7.881 -6.129 1.00 0.34 H new ATOM 0 HG3 MET A 46 -4.586 -6.273 -5.791 1.00 0.34 H new ATOM 0 HE1 MET A 46 -1.942 -7.540 -9.331 1.00 1.38 H new ATOM 0 HE2 MET A 46 -1.066 -6.902 -7.919 1.00 1.38 H new ATOM 0 HE3 MET A 46 -2.099 -8.341 -7.749 1.00 1.38 H new ATOM 687 N GLU A 47 -3.327 -3.572 -6.260 1.00 0.31 N ATOM 688 CA GLU A 47 -3.212 -2.616 -7.339 1.00 0.37 C ATOM 689 C GLU A 47 -2.373 -1.445 -6.860 1.00 0.34 C ATOM 690 O GLU A 47 -1.533 -0.917 -7.596 1.00 0.38 O ATOM 691 CB GLU A 47 -4.583 -2.142 -7.801 1.00 0.44 C ATOM 692 CG GLU A 47 -4.530 -1.237 -9.012 1.00 0.62 C ATOM 693 CD GLU A 47 -5.858 -0.654 -9.355 1.00 0.99 C ATOM 694 OE1 GLU A 47 -6.622 -1.281 -10.115 1.00 1.45 O ATOM 695 OE2 GLU A 47 -6.171 0.439 -8.874 1.00 1.76 O ATOM 0 H GLU A 47 -4.278 -3.723 -5.923 1.00 0.31 H new ATOM 0 HA GLU A 47 -2.730 -3.091 -8.194 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -5.200 -3.010 -8.032 1.00 0.44 H new ATOM 0 HB3 GLU A 47 -5.071 -1.613 -6.982 1.00 0.44 H new ATOM 0 HG2 GLU A 47 -3.821 -0.430 -8.826 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -4.154 -1.801 -9.866 1.00 0.62 H new ATOM 702 N THR A 48 -2.603 -1.066 -5.622 1.00 0.32 N ATOM 703 CA THR A 48 -1.825 -0.066 -4.955 1.00 0.33 C ATOM 704 C THR A 48 -0.365 -0.552 -4.813 1.00 0.32 C ATOM 705 O THR A 48 0.565 0.078 -5.342 1.00 0.35 O ATOM 706 CB THR A 48 -2.427 0.170 -3.559 1.00 0.38 C ATOM 707 OG1 THR A 48 -3.761 0.681 -3.683 1.00 0.49 O ATOM 708 CG2 THR A 48 -1.578 1.125 -2.747 1.00 0.41 C ATOM 0 H THR A 48 -3.351 -1.456 -5.048 1.00 0.32 H new ATOM 0 HA THR A 48 -1.836 0.860 -5.530 1.00 0.33 H new ATOM 0 HB THR A 48 -2.452 -0.785 -3.035 1.00 0.38 H new ATOM 0 HG1 THR A 48 -4.000 0.746 -4.631 1.00 0.49 H new ATOM 0 HG21 THR A 48 -2.031 1.270 -1.766 1.00 0.41 H new ATOM 0 HG22 THR A 48 -0.577 0.710 -2.627 1.00 0.41 H new ATOM 0 HG23 THR A 48 -1.514 2.083 -3.263 1.00 0.41 H new ATOM 716 N ALA A 49 -0.191 -1.688 -4.129 1.00 0.32 N ATOM 717 CA ALA A 49 1.129 -2.238 -3.828 1.00 0.33 C ATOM 718 C ALA A 49 1.968 -2.459 -5.068 1.00 0.30 C ATOM 719 O ALA A 49 3.043 -1.907 -5.170 1.00 0.29 O ATOM 720 CB ALA A 49 1.017 -3.534 -3.062 1.00 0.40 C ATOM 0 H ALA A 49 -0.963 -2.250 -3.770 1.00 0.32 H new ATOM 0 HA ALA A 49 1.632 -1.492 -3.213 1.00 0.33 H new ATOM 0 HB1 ALA A 49 2.015 -3.920 -2.852 1.00 0.40 H new ATOM 0 HB2 ALA A 49 0.491 -3.358 -2.124 1.00 0.40 H new ATOM 0 HB3 ALA A 49 0.464 -4.261 -3.656 1.00 0.40 H new ATOM 726 N ALA A 50 1.444 -3.220 -6.019 1.00 0.31 N ATOM 727 CA ALA A 50 2.165 -3.583 -7.238 1.00 0.35 C ATOM 728 C ALA A 50 2.621 -2.362 -8.004 1.00 0.33 C ATOM 729 O ALA A 50 3.744 -2.321 -8.495 1.00 0.37 O ATOM 730 CB ALA A 50 1.313 -4.473 -8.128 1.00 0.44 C ATOM 0 H ALA A 50 0.501 -3.607 -5.969 1.00 0.31 H new ATOM 0 HA ALA A 50 3.052 -4.138 -6.933 1.00 0.35 H new ATOM 0 HB1 ALA A 50 1.872 -4.729 -9.028 1.00 0.44 H new ATOM 0 HB2 ALA A 50 1.054 -5.385 -7.590 1.00 0.44 H new ATOM 0 HB3 ALA A 50 0.401 -3.944 -8.405 1.00 0.44 H new ATOM 736 N ARG A 51 1.766 -1.346 -8.049 1.00 0.31 N ATOM 737 CA ARG A 51 2.075 -0.120 -8.759 1.00 0.36 C ATOM 738 C ARG A 51 3.260 0.572 -8.089 1.00 0.30 C ATOM 739 O ARG A 51 4.163 1.083 -8.751 1.00 0.34 O ATOM 740 CB ARG A 51 0.858 0.808 -8.775 1.00 0.46 C ATOM 741 CG ARG A 51 1.043 2.042 -9.630 1.00 0.91 C ATOM 742 CD ARG A 51 -0.163 2.945 -9.580 1.00 1.03 C ATOM 743 NE ARG A 51 0.041 4.174 -10.356 1.00 1.65 N ATOM 744 CZ ARG A 51 -0.890 5.095 -10.587 1.00 2.23 C ATOM 745 NH1 ARG A 51 -2.109 4.922 -10.124 1.00 2.58 N ATOM 746 NH2 ARG A 51 -0.594 6.180 -11.290 1.00 3.05 N ATOM 0 H ARG A 51 0.851 -1.352 -7.599 1.00 0.31 H new ATOM 0 HA ARG A 51 2.336 -0.360 -9.790 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -0.006 0.252 -9.138 1.00 0.46 H new ATOM 0 HB3 ARG A 51 0.634 1.115 -7.754 1.00 0.46 H new ATOM 0 HG2 ARG A 51 1.922 2.590 -9.291 1.00 0.91 H new ATOM 0 HG3 ARG A 51 1.231 1.744 -10.662 1.00 0.91 H new ATOM 0 HD2 ARG A 51 -1.032 2.412 -9.966 1.00 1.03 H new ATOM 0 HD3 ARG A 51 -0.381 3.202 -8.543 1.00 1.03 H new ATOM 0 HE ARG A 51 0.969 4.334 -10.749 1.00 1.65 H new ATOM 0 HH11 ARG A 51 -2.337 4.084 -9.590 1.00 2.58 H new ATOM 0 HH12 ARG A 51 -2.826 5.626 -10.299 1.00 2.58 H new ATOM 0 HH21 ARG A 51 0.350 6.310 -11.655 1.00 3.05 H new ATOM 0 HH22 ARG A 51 -1.310 6.885 -11.466 1.00 3.05 H new ATOM 760 N LEU A 52 3.246 0.590 -6.771 1.00 0.25 N ATOM 761 CA LEU A 52 4.338 1.149 -6.005 1.00 0.24 C ATOM 762 C LEU A 52 5.597 0.297 -6.148 1.00 0.22 C ATOM 763 O LEU A 52 6.679 0.827 -6.405 1.00 0.26 O ATOM 764 CB LEU A 52 3.945 1.333 -4.536 1.00 0.28 C ATOM 765 CG LEU A 52 2.808 2.331 -4.281 1.00 0.35 C ATOM 766 CD1 LEU A 52 2.477 2.401 -2.806 1.00 0.43 C ATOM 767 CD2 LEU A 52 3.174 3.714 -4.810 1.00 0.41 C ATOM 0 H LEU A 52 2.482 0.220 -6.206 1.00 0.25 H new ATOM 0 HA LEU A 52 4.562 2.137 -6.407 1.00 0.24 H new ATOM 0 HB2 LEU A 52 3.653 0.364 -4.131 1.00 0.28 H new ATOM 0 HB3 LEU A 52 4.824 1.659 -3.980 1.00 0.28 H new ATOM 0 HG LEU A 52 1.925 1.981 -4.816 1.00 0.35 H new ATOM 0 HD11 LEU A 52 1.668 3.115 -2.648 1.00 0.43 H new ATOM 0 HD12 LEU A 52 2.166 1.417 -2.456 1.00 0.43 H new ATOM 0 HD13 LEU A 52 3.358 2.722 -2.250 1.00 0.43 H new ATOM 0 HD21 LEU A 52 2.354 4.406 -4.619 1.00 0.41 H new ATOM 0 HD22 LEU A 52 4.073 4.070 -4.307 1.00 0.41 H new ATOM 0 HD23 LEU A 52 3.357 3.656 -5.883 1.00 0.41 H new ATOM 779 N GLU A 53 5.435 -1.022 -6.038 1.00 0.20 N ATOM 780 CA GLU A 53 6.544 -1.972 -6.152 1.00 0.25 C ATOM 781 C GLU A 53 7.281 -1.787 -7.461 1.00 0.29 C ATOM 782 O GLU A 53 8.488 -1.516 -7.474 1.00 0.32 O ATOM 783 CB GLU A 53 6.060 -3.424 -6.088 1.00 0.28 C ATOM 784 CG GLU A 53 5.442 -3.867 -4.783 1.00 0.30 C ATOM 785 CD GLU A 53 5.031 -5.318 -4.847 1.00 0.36 C ATOM 786 OE1 GLU A 53 5.865 -6.199 -4.610 1.00 0.50 O ATOM 787 OE2 GLU A 53 3.874 -5.614 -5.174 1.00 0.55 O ATOM 0 H GLU A 53 4.531 -1.463 -5.867 1.00 0.20 H new ATOM 0 HA GLU A 53 7.206 -1.772 -5.310 1.00 0.25 H new ATOM 0 HB2 GLU A 53 5.329 -3.576 -6.882 1.00 0.28 H new ATOM 0 HB3 GLU A 53 6.906 -4.076 -6.305 1.00 0.28 H new ATOM 0 HG2 GLU A 53 6.154 -3.722 -3.971 1.00 0.30 H new ATOM 0 HG3 GLU A 53 4.573 -3.248 -4.559 1.00 0.30 H new ATOM 794 N SER A 54 6.542 -1.881 -8.543 1.00 0.35 N ATOM 795 CA SER A 54 7.104 -1.802 -9.881 1.00 0.46 C ATOM 796 C SER A 54 7.770 -0.440 -10.153 1.00 0.42 C ATOM 797 O SER A 54 8.834 -0.373 -10.796 1.00 0.46 O ATOM 798 CB SER A 54 6.003 -2.068 -10.906 1.00 0.61 C ATOM 799 OG SER A 54 5.347 -3.316 -10.639 1.00 1.51 O ATOM 0 H SER A 54 5.531 -2.015 -8.525 1.00 0.35 H new ATOM 0 HA SER A 54 7.883 -2.559 -9.965 1.00 0.46 H new ATOM 0 HB2 SER A 54 5.275 -1.257 -10.882 1.00 0.61 H new ATOM 0 HB3 SER A 54 6.430 -2.084 -11.909 1.00 0.61 H new ATOM 0 HG SER A 54 4.706 -3.199 -9.907 1.00 1.51 H new ATOM 805 N ARG A 55 7.175 0.620 -9.619 1.00 0.40 N ATOM 806 CA ARG A 55 7.643 1.983 -9.862 1.00 0.45 C ATOM 807 C ARG A 55 9.010 2.249 -9.249 1.00 0.43 C ATOM 808 O ARG A 55 9.855 2.890 -9.864 1.00 0.49 O ATOM 809 CB ARG A 55 6.657 2.991 -9.301 1.00 0.54 C ATOM 810 CG ARG A 55 6.924 4.420 -9.729 1.00 0.70 C ATOM 811 CD ARG A 55 5.939 5.358 -9.093 1.00 1.09 C ATOM 812 NE ARG A 55 5.900 6.648 -9.748 1.00 1.64 N ATOM 813 CZ ARG A 55 4.772 7.342 -9.963 1.00 2.34 C ATOM 814 NH1 ARG A 55 3.582 6.850 -9.555 1.00 2.65 N ATOM 815 NH2 ARG A 55 4.829 8.492 -10.615 1.00 3.15 N ATOM 0 H ARG A 55 6.360 0.562 -9.009 1.00 0.40 H new ATOM 0 HA ARG A 55 7.725 2.091 -10.944 1.00 0.45 H new ATOM 0 HB2 ARG A 55 5.651 2.711 -9.613 1.00 0.54 H new ATOM 0 HB3 ARG A 55 6.680 2.939 -8.212 1.00 0.54 H new ATOM 0 HG2 ARG A 55 7.938 4.705 -9.449 1.00 0.70 H new ATOM 0 HG3 ARG A 55 6.859 4.498 -10.814 1.00 0.70 H new ATOM 0 HD2 ARG A 55 4.946 4.910 -9.120 1.00 1.09 H new ATOM 0 HD3 ARG A 55 6.198 5.495 -8.043 1.00 1.09 H new ATOM 0 HE ARG A 55 6.781 7.053 -10.064 1.00 1.64 H new ATOM 0 HH11 ARG A 55 3.539 5.948 -9.081 1.00 2.65 H new ATOM 0 HH12 ARG A 55 2.727 7.381 -9.720 1.00 2.65 H new ATOM 0 HH21 ARG A 55 5.726 8.845 -10.950 1.00 3.15 H new ATOM 0 HH22 ARG A 55 3.976 9.026 -10.783 1.00 3.15 H new ATOM 829 N TYR A 56 9.220 1.775 -8.042 1.00 0.40 N ATOM 830 CA TYR A 56 10.461 2.077 -7.342 1.00 0.48 C ATOM 831 C TYR A 56 11.435 0.916 -7.412 1.00 0.49 C ATOM 832 O TYR A 56 12.540 0.981 -6.859 1.00 0.63 O ATOM 833 CB TYR A 56 10.180 2.456 -5.886 1.00 0.57 C ATOM 834 CG TYR A 56 9.120 3.532 -5.735 1.00 0.62 C ATOM 835 CD1 TYR A 56 9.335 4.831 -6.177 1.00 0.83 C ATOM 836 CD2 TYR A 56 7.894 3.232 -5.179 1.00 0.58 C ATOM 837 CE1 TYR A 56 8.347 5.795 -6.054 1.00 0.94 C ATOM 838 CE2 TYR A 56 6.910 4.180 -5.058 1.00 0.69 C ATOM 839 CZ TYR A 56 7.136 5.459 -5.494 1.00 0.87 C ATOM 840 OH TYR A 56 6.138 6.411 -5.356 1.00 1.01 O ATOM 0 H TYR A 56 8.564 1.188 -7.526 1.00 0.40 H new ATOM 0 HA TYR A 56 10.923 2.929 -7.841 1.00 0.48 H new ATOM 0 HB2 TYR A 56 9.864 1.566 -5.342 1.00 0.57 H new ATOM 0 HB3 TYR A 56 11.105 2.801 -5.423 1.00 0.57 H new ATOM 0 HD1 TYR A 56 10.284 5.093 -6.622 1.00 0.83 H new ATOM 0 HD2 TYR A 56 7.704 2.227 -4.831 1.00 0.58 H new ATOM 0 HE1 TYR A 56 8.527 6.804 -6.396 1.00 0.94 H new ATOM 0 HE2 TYR A 56 5.958 3.918 -4.620 1.00 0.69 H new ATOM 0 HH TYR A 56 5.350 6.001 -4.942 1.00 1.01 H new ATOM 850 N GLY A 57 11.022 -0.139 -8.084 1.00 0.42 N ATOM 851 CA GLY A 57 11.870 -1.292 -8.247 1.00 0.47 C ATOM 852 C GLY A 57 12.024 -2.066 -6.965 1.00 0.48 C ATOM 853 O GLY A 57 13.135 -2.411 -6.562 1.00 0.64 O ATOM 0 H GLY A 57 10.105 -0.218 -8.524 1.00 0.42 H new ATOM 0 HA2 GLY A 57 11.453 -1.943 -9.015 1.00 0.47 H new ATOM 0 HA3 GLY A 57 12.851 -0.973 -8.598 1.00 0.47 H new ATOM 857 N VAL A 58 10.930 -2.320 -6.305 1.00 0.37 N ATOM 858 CA VAL A 58 10.959 -3.056 -5.064 1.00 0.39 C ATOM 859 C VAL A 58 9.983 -4.216 -5.131 1.00 0.37 C ATOM 860 O VAL A 58 9.246 -4.343 -6.117 1.00 0.39 O ATOM 861 CB VAL A 58 10.680 -2.163 -3.813 1.00 0.47 C ATOM 862 CG1 VAL A 58 11.717 -1.061 -3.692 1.00 0.61 C ATOM 863 CG2 VAL A 58 9.281 -1.564 -3.848 1.00 0.50 C ATOM 0 H VAL A 58 10.000 -2.028 -6.604 1.00 0.37 H new ATOM 0 HA VAL A 58 11.972 -3.438 -4.940 1.00 0.39 H new ATOM 0 HB VAL A 58 10.747 -2.808 -2.937 1.00 0.47 H new ATOM 0 HG11 VAL A 58 11.501 -0.453 -2.813 1.00 0.61 H new ATOM 0 HG12 VAL A 58 12.708 -1.503 -3.592 1.00 0.61 H new ATOM 0 HG13 VAL A 58 11.687 -0.434 -4.583 1.00 0.61 H new ATOM 0 HG21 VAL A 58 9.126 -0.950 -2.961 1.00 0.50 H new ATOM 0 HG22 VAL A 58 9.171 -0.947 -4.740 1.00 0.50 H new ATOM 0 HG23 VAL A 58 8.542 -2.365 -3.868 1.00 0.50 H new ATOM 873 N SER A 59 9.986 -5.073 -4.140 1.00 0.42 N ATOM 874 CA SER A 59 9.073 -6.192 -4.106 1.00 0.50 C ATOM 875 C SER A 59 8.634 -6.530 -2.677 1.00 0.48 C ATOM 876 O SER A 59 9.448 -6.585 -1.755 1.00 0.61 O ATOM 877 CB SER A 59 9.717 -7.412 -4.768 1.00 0.68 C ATOM 878 OG SER A 59 10.079 -7.123 -6.117 1.00 1.55 O ATOM 0 H SER A 59 10.616 -5.017 -3.339 1.00 0.42 H new ATOM 0 HA SER A 59 8.179 -5.908 -4.661 1.00 0.50 H new ATOM 0 HB2 SER A 59 10.601 -7.712 -4.206 1.00 0.68 H new ATOM 0 HB3 SER A 59 9.024 -8.253 -4.745 1.00 0.68 H new ATOM 0 HG SER A 59 10.490 -7.915 -6.522 1.00 1.55 H new ATOM 884 N ILE A 60 7.354 -6.708 -2.511 1.00 0.42 N ATOM 885 CA ILE A 60 6.752 -7.138 -1.266 1.00 0.43 C ATOM 886 C ILE A 60 6.367 -8.603 -1.442 1.00 0.48 C ATOM 887 O ILE A 60 5.876 -8.971 -2.517 1.00 0.51 O ATOM 888 CB ILE A 60 5.443 -6.338 -0.971 1.00 0.39 C ATOM 889 CG1 ILE A 60 5.710 -4.836 -0.925 1.00 0.42 C ATOM 890 CG2 ILE A 60 4.791 -6.797 0.342 1.00 0.44 C ATOM 891 CD1 ILE A 60 4.449 -4.011 -0.798 1.00 0.50 C ATOM 0 H ILE A 60 6.674 -6.555 -3.256 1.00 0.42 H new ATOM 0 HA ILE A 60 7.454 -6.980 -0.448 1.00 0.43 H new ATOM 0 HB ILE A 60 4.752 -6.542 -1.789 1.00 0.39 H new ATOM 0 HG12 ILE A 60 6.367 -4.616 -0.084 1.00 0.42 H new ATOM 0 HG13 ILE A 60 6.241 -4.540 -1.830 1.00 0.42 H new ATOM 0 HG21 ILE A 60 3.883 -6.221 0.518 1.00 0.44 H new ATOM 0 HG22 ILE A 60 4.541 -7.856 0.274 1.00 0.44 H new ATOM 0 HG23 ILE A 60 5.486 -6.641 1.167 1.00 0.44 H new ATOM 0 HD11 ILE A 60 4.708 -2.953 -0.771 1.00 0.50 H new ATOM 0 HD12 ILE A 60 3.800 -4.204 -1.652 1.00 0.50 H new ATOM 0 HD13 ILE A 60 3.929 -4.281 0.121 1.00 0.50 H new ATOM 903 N PRO A 61 6.624 -9.474 -0.450 1.00 0.55 N ATOM 904 CA PRO A 61 6.168 -10.869 -0.499 1.00 0.61 C ATOM 905 C PRO A 61 4.651 -10.946 -0.730 1.00 0.52 C ATOM 906 O PRO A 61 3.884 -10.262 -0.041 1.00 0.43 O ATOM 907 CB PRO A 61 6.505 -11.395 0.898 1.00 0.69 C ATOM 908 CG PRO A 61 7.663 -10.565 1.333 1.00 0.75 C ATOM 909 CD PRO A 61 7.423 -9.197 0.762 1.00 0.63 C ATOM 0 HA PRO A 61 6.632 -11.434 -1.308 1.00 0.61 H new ATOM 0 HB2 PRO A 61 5.660 -11.287 1.578 1.00 0.69 H new ATOM 0 HB3 PRO A 61 6.761 -12.454 0.873 1.00 0.69 H new ATOM 0 HG2 PRO A 61 7.731 -10.528 2.420 1.00 0.75 H new ATOM 0 HG3 PRO A 61 8.602 -10.982 0.968 1.00 0.75 H new ATOM 0 HD2 PRO A 61 6.885 -8.557 1.462 1.00 0.63 H new ATOM 0 HD3 PRO A 61 8.358 -8.691 0.521 1.00 0.63 H new ATOM 917 N ASP A 62 4.233 -11.768 -1.698 1.00 0.58 N ATOM 918 CA ASP A 62 2.796 -11.981 -2.028 1.00 0.57 C ATOM 919 C ASP A 62 2.046 -12.407 -0.793 1.00 0.48 C ATOM 920 O ASP A 62 0.916 -11.986 -0.553 1.00 0.49 O ATOM 921 CB ASP A 62 2.591 -13.109 -3.063 1.00 0.74 C ATOM 922 CG ASP A 62 3.241 -12.898 -4.400 1.00 1.16 C ATOM 923 OD1 ASP A 62 2.703 -12.144 -5.233 1.00 1.91 O ATOM 924 OD2 ASP A 62 4.263 -13.556 -4.672 1.00 1.38 O ATOM 0 H ASP A 62 4.870 -12.310 -2.282 1.00 0.58 H new ATOM 0 HA ASP A 62 2.433 -11.036 -2.431 1.00 0.57 H new ATOM 0 HB2 ASP A 62 2.971 -14.038 -2.639 1.00 0.74 H new ATOM 0 HB3 ASP A 62 1.520 -13.243 -3.218 1.00 0.74 H new ATOM 929 N ASP A 63 2.719 -13.200 0.011 1.00 0.51 N ATOM 930 CA ASP A 63 2.164 -13.772 1.225 1.00 0.55 C ATOM 931 C ASP A 63 1.957 -12.683 2.262 1.00 0.45 C ATOM 932 O ASP A 63 0.981 -12.690 2.988 1.00 0.48 O ATOM 933 CB ASP A 63 3.145 -14.828 1.757 1.00 0.80 C ATOM 934 CG ASP A 63 2.681 -15.527 3.008 1.00 1.25 C ATOM 935 OD1 ASP A 63 2.922 -15.019 4.116 1.00 1.88 O ATOM 936 OD2 ASP A 63 2.098 -16.618 2.905 1.00 1.94 O ATOM 0 H ASP A 63 3.687 -13.473 -0.161 1.00 0.51 H new ATOM 0 HA ASP A 63 1.200 -14.234 1.014 1.00 0.55 H new ATOM 0 HB2 ASP A 63 3.316 -15.573 0.980 1.00 0.80 H new ATOM 0 HB3 ASP A 63 4.104 -14.349 1.956 1.00 0.80 H new ATOM 941 N VAL A 64 2.853 -11.718 2.270 1.00 0.43 N ATOM 942 CA VAL A 64 2.782 -10.610 3.203 1.00 0.43 C ATOM 943 C VAL A 64 1.776 -9.553 2.724 1.00 0.34 C ATOM 944 O VAL A 64 1.091 -8.960 3.529 1.00 0.37 O ATOM 945 CB VAL A 64 4.186 -9.975 3.464 1.00 0.57 C ATOM 946 CG1 VAL A 64 4.092 -8.768 4.397 1.00 0.66 C ATOM 947 CG2 VAL A 64 5.122 -11.010 4.065 1.00 0.70 C ATOM 0 H VAL A 64 3.649 -11.678 1.633 1.00 0.43 H new ATOM 0 HA VAL A 64 2.429 -11.009 4.154 1.00 0.43 H new ATOM 0 HB VAL A 64 4.579 -9.635 2.506 1.00 0.57 H new ATOM 0 HG11 VAL A 64 5.087 -8.352 4.556 1.00 0.66 H new ATOM 0 HG12 VAL A 64 3.450 -8.010 3.948 1.00 0.66 H new ATOM 0 HG13 VAL A 64 3.672 -9.079 5.353 1.00 0.66 H new ATOM 0 HG21 VAL A 64 6.098 -10.558 4.243 1.00 0.70 H new ATOM 0 HG22 VAL A 64 4.710 -11.369 5.008 1.00 0.70 H new ATOM 0 HG23 VAL A 64 5.230 -11.847 3.375 1.00 0.70 H new ATOM 957 N ALA A 65 1.667 -9.352 1.408 1.00 0.32 N ATOM 958 CA ALA A 65 0.699 -8.377 0.854 1.00 0.34 C ATOM 959 C ALA A 65 -0.734 -8.774 1.194 1.00 0.37 C ATOM 960 O ALA A 65 -1.603 -7.931 1.342 1.00 0.46 O ATOM 961 CB ALA A 65 0.861 -8.201 -0.651 1.00 0.42 C ATOM 0 H ALA A 65 2.225 -9.840 0.707 1.00 0.32 H new ATOM 0 HA ALA A 65 0.914 -7.416 1.322 1.00 0.34 H new ATOM 0 HB1 ALA A 65 0.131 -7.477 -1.013 1.00 0.42 H new ATOM 0 HB2 ALA A 65 1.867 -7.842 -0.869 1.00 0.42 H new ATOM 0 HB3 ALA A 65 0.701 -9.158 -1.148 1.00 0.42 H new ATOM 967 N GLY A 66 -0.961 -10.064 1.335 1.00 0.39 N ATOM 968 CA GLY A 66 -2.264 -10.544 1.729 1.00 0.50 C ATOM 969 C GLY A 66 -2.329 -10.762 3.230 1.00 0.52 C ATOM 970 O GLY A 66 -3.284 -11.323 3.748 1.00 0.73 O ATOM 0 H GLY A 66 -0.263 -10.792 1.183 1.00 0.39 H new ATOM 0 HA2 GLY A 66 -3.027 -9.826 1.428 1.00 0.50 H new ATOM 0 HA3 GLY A 66 -2.484 -11.478 1.212 1.00 0.50 H new ATOM 974 N ARG A 67 -1.315 -10.300 3.927 1.00 0.42 N ATOM 975 CA ARG A 67 -1.209 -10.491 5.359 1.00 0.50 C ATOM 976 C ARG A 67 -1.053 -9.130 6.059 1.00 0.49 C ATOM 977 O ARG A 67 -0.894 -9.061 7.279 1.00 0.60 O ATOM 978 CB ARG A 67 0.020 -11.378 5.669 1.00 0.56 C ATOM 979 CG ARG A 67 0.096 -11.883 7.105 1.00 1.09 C ATOM 980 CD ARG A 67 1.477 -12.396 7.439 1.00 1.24 C ATOM 981 NE ARG A 67 2.451 -11.297 7.533 1.00 2.11 N ATOM 982 CZ ARG A 67 3.777 -11.434 7.488 1.00 2.57 C ATOM 983 NH1 ARG A 67 4.329 -12.619 7.241 1.00 2.21 N ATOM 984 NH2 ARG A 67 4.542 -10.369 7.680 1.00 3.62 N ATOM 0 H ARG A 67 -0.539 -9.780 3.518 1.00 0.42 H new ATOM 0 HA ARG A 67 -2.113 -10.978 5.725 1.00 0.50 H new ATOM 0 HB2 ARG A 67 0.010 -12.236 4.997 1.00 0.56 H new ATOM 0 HB3 ARG A 67 0.925 -10.811 5.449 1.00 0.56 H new ATOM 0 HG2 ARG A 67 -0.169 -11.077 7.790 1.00 1.09 H new ATOM 0 HG3 ARG A 67 -0.634 -12.679 7.251 1.00 1.09 H new ATOM 0 HD2 ARG A 67 1.446 -12.939 8.384 1.00 1.24 H new ATOM 0 HD3 ARG A 67 1.798 -13.104 6.675 1.00 1.24 H new ATOM 0 HE ARG A 67 2.082 -10.352 7.642 1.00 2.11 H new ATOM 0 HH11 ARG A 67 3.737 -13.435 7.084 1.00 2.21 H new ATOM 0 HH12 ARG A 67 5.344 -12.712 7.209 1.00 2.21 H new ATOM 0 HH21 ARG A 67 4.115 -9.460 7.859 1.00 3.62 H new ATOM 0 HH22 ARG A 67 5.558 -10.458 7.649 1.00 3.62 H new ATOM 998 N VAL A 68 -1.122 -8.059 5.298 1.00 0.44 N ATOM 999 CA VAL A 68 -0.926 -6.731 5.858 1.00 0.44 C ATOM 1000 C VAL A 68 -2.166 -6.228 6.570 1.00 0.52 C ATOM 1001 O VAL A 68 -3.287 -6.375 6.085 1.00 0.94 O ATOM 1002 CB VAL A 68 -0.420 -5.688 4.818 1.00 0.46 C ATOM 1003 CG1 VAL A 68 1.018 -5.971 4.428 1.00 0.50 C ATOM 1004 CG2 VAL A 68 -1.303 -5.667 3.583 1.00 0.57 C ATOM 0 H VAL A 68 -1.311 -8.077 4.296 1.00 0.44 H new ATOM 0 HA VAL A 68 -0.131 -6.843 6.596 1.00 0.44 H new ATOM 0 HB VAL A 68 -0.469 -4.706 5.288 1.00 0.46 H new ATOM 0 HG11 VAL A 68 1.350 -5.230 3.701 1.00 0.50 H new ATOM 0 HG12 VAL A 68 1.652 -5.920 5.313 1.00 0.50 H new ATOM 0 HG13 VAL A 68 1.087 -6.966 3.989 1.00 0.50 H new ATOM 0 HG21 VAL A 68 -0.923 -4.929 2.877 1.00 0.57 H new ATOM 0 HG22 VAL A 68 -1.299 -6.652 3.116 1.00 0.57 H new ATOM 0 HG23 VAL A 68 -2.322 -5.405 3.869 1.00 0.57 H new ATOM 1014 N ASP A 69 -1.938 -5.656 7.722 1.00 0.40 N ATOM 1015 CA ASP A 69 -2.994 -5.160 8.591 1.00 0.57 C ATOM 1016 C ASP A 69 -3.365 -3.743 8.215 1.00 0.40 C ATOM 1017 O ASP A 69 -4.477 -3.474 7.748 1.00 0.48 O ATOM 1018 CB ASP A 69 -2.507 -5.216 10.054 1.00 0.94 C ATOM 1019 CG ASP A 69 -3.480 -4.656 11.069 1.00 1.52 C ATOM 1020 OD1 ASP A 69 -4.561 -5.231 11.256 1.00 1.76 O ATOM 1021 OD2 ASP A 69 -3.147 -3.648 11.729 1.00 2.46 O ATOM 0 H ASP A 69 -1.000 -5.515 8.097 1.00 0.40 H new ATOM 0 HA ASP A 69 -3.881 -5.783 8.477 1.00 0.57 H new ATOM 0 HB2 ASP A 69 -2.292 -6.253 10.311 1.00 0.94 H new ATOM 0 HB3 ASP A 69 -1.568 -4.668 10.131 1.00 0.94 H new ATOM 1026 N THR A 70 -2.449 -2.851 8.381 1.00 0.35 N ATOM 1027 CA THR A 70 -2.685 -1.482 8.063 1.00 0.30 C ATOM 1028 C THR A 70 -1.937 -1.111 6.810 1.00 0.26 C ATOM 1029 O THR A 70 -0.967 -1.800 6.424 1.00 0.26 O ATOM 1030 CB THR A 70 -2.188 -0.576 9.194 1.00 0.44 C ATOM 1031 OG1 THR A 70 -0.823 -0.915 9.507 1.00 0.54 O ATOM 1032 CG2 THR A 70 -3.050 -0.724 10.418 1.00 0.52 C ATOM 0 H THR A 70 -1.515 -3.049 8.741 1.00 0.35 H new ATOM 0 HA THR A 70 -3.758 -1.348 7.923 1.00 0.30 H new ATOM 0 HB THR A 70 -2.244 0.462 8.866 1.00 0.44 H new ATOM 0 HG1 THR A 70 -0.587 -0.545 10.383 1.00 0.54 H new ATOM 0 HG21 THR A 70 -2.677 -0.071 11.207 1.00 0.52 H new ATOM 0 HG22 THR A 70 -4.077 -0.450 10.175 1.00 0.52 H new ATOM 0 HG23 THR A 70 -3.022 -1.759 10.760 1.00 0.52 H new ATOM 1040 N PRO A 71 -2.363 -0.043 6.127 1.00 0.27 N ATOM 1041 CA PRO A 71 -1.603 0.522 5.037 1.00 0.28 C ATOM 1042 C PRO A 71 -0.232 0.934 5.545 1.00 0.27 C ATOM 1043 O PRO A 71 0.732 0.888 4.816 1.00 0.30 O ATOM 1044 CB PRO A 71 -2.416 1.743 4.625 1.00 0.33 C ATOM 1045 CG PRO A 71 -3.798 1.416 5.045 1.00 0.35 C ATOM 1046 CD PRO A 71 -3.649 0.646 6.314 1.00 0.33 C ATOM 0 HA PRO A 71 -1.444 -0.168 4.208 1.00 0.28 H new ATOM 0 HB2 PRO A 71 -2.054 2.647 5.115 1.00 0.33 H new ATOM 0 HB3 PRO A 71 -2.357 1.917 3.551 1.00 0.33 H new ATOM 0 HG2 PRO A 71 -4.387 2.320 5.200 1.00 0.35 H new ATOM 0 HG3 PRO A 71 -4.312 0.827 4.285 1.00 0.35 H new ATOM 0 HD2 PRO A 71 -3.634 1.301 7.185 1.00 0.33 H new ATOM 0 HD3 PRO A 71 -4.468 -0.058 6.458 1.00 0.33 H new ATOM 1054 N ARG A 72 -0.176 1.343 6.825 1.00 0.29 N ATOM 1055 CA ARG A 72 1.080 1.652 7.515 1.00 0.34 C ATOM 1056 C ARG A 72 2.042 0.470 7.413 1.00 0.32 C ATOM 1057 O ARG A 72 3.195 0.629 7.044 1.00 0.35 O ATOM 1058 CB ARG A 72 0.824 1.966 8.988 1.00 0.42 C ATOM 1059 CG ARG A 72 2.072 2.364 9.768 1.00 0.72 C ATOM 1060 CD ARG A 72 1.804 2.396 11.260 1.00 0.75 C ATOM 1061 NE ARG A 72 0.713 3.311 11.620 1.00 0.84 N ATOM 1062 CZ ARG A 72 -0.341 2.990 12.387 1.00 1.44 C ATOM 1063 NH1 ARG A 72 -0.489 1.755 12.852 1.00 2.34 N ATOM 1064 NH2 ARG A 72 -1.242 3.904 12.686 1.00 1.57 N ATOM 0 H ARG A 72 -1.004 1.467 7.407 1.00 0.29 H new ATOM 0 HA ARG A 72 1.522 2.526 7.036 1.00 0.34 H new ATOM 0 HB2 ARG A 72 0.095 2.773 9.054 1.00 0.42 H new ATOM 0 HB3 ARG A 72 0.376 1.092 9.462 1.00 0.42 H new ATOM 0 HG2 ARG A 72 2.876 1.659 9.556 1.00 0.72 H new ATOM 0 HG3 ARG A 72 2.413 3.345 9.437 1.00 0.72 H new ATOM 0 HD2 ARG A 72 1.558 1.391 11.602 1.00 0.75 H new ATOM 0 HD3 ARG A 72 2.712 2.697 11.782 1.00 0.75 H new ATOM 0 HE ARG A 72 0.760 4.264 11.259 1.00 0.84 H new ATOM 0 HH11 ARG A 72 0.202 1.039 12.627 1.00 2.34 H new ATOM 0 HH12 ARG A 72 -1.294 1.522 13.434 1.00 2.34 H new ATOM 0 HH21 ARG A 72 -1.139 4.856 12.335 1.00 1.57 H new ATOM 0 HH22 ARG A 72 -2.043 3.659 13.269 1.00 1.57 H new ATOM 1078 N GLU A 73 1.538 -0.715 7.732 1.00 0.30 N ATOM 1079 CA GLU A 73 2.328 -1.934 7.682 1.00 0.31 C ATOM 1080 C GLU A 73 2.761 -2.249 6.251 1.00 0.30 C ATOM 1081 O GLU A 73 3.906 -2.640 6.010 1.00 0.33 O ATOM 1082 CB GLU A 73 1.540 -3.094 8.294 1.00 0.36 C ATOM 1083 CG GLU A 73 2.249 -4.426 8.235 1.00 0.42 C ATOM 1084 CD GLU A 73 1.548 -5.477 9.023 1.00 1.08 C ATOM 1085 OE1 GLU A 73 0.659 -6.148 8.494 1.00 1.74 O ATOM 1086 OE2 GLU A 73 1.895 -5.663 10.200 1.00 1.68 O ATOM 0 H GLU A 73 0.573 -0.856 8.031 1.00 0.30 H new ATOM 0 HA GLU A 73 3.234 -1.787 8.269 1.00 0.31 H new ATOM 0 HB2 GLU A 73 1.319 -2.859 9.335 1.00 0.36 H new ATOM 0 HB3 GLU A 73 0.584 -3.181 7.777 1.00 0.36 H new ATOM 0 HG2 GLU A 73 2.328 -4.747 7.196 1.00 0.42 H new ATOM 0 HG3 GLU A 73 3.265 -4.311 8.611 1.00 0.42 H new ATOM 1093 N LEU A 74 1.862 -2.028 5.314 1.00 0.28 N ATOM 1094 CA LEU A 74 2.139 -2.252 3.901 1.00 0.31 C ATOM 1095 C LEU A 74 3.223 -1.246 3.447 1.00 0.31 C ATOM 1096 O LEU A 74 4.180 -1.609 2.759 1.00 0.34 O ATOM 1097 CB LEU A 74 0.791 -2.121 3.109 1.00 0.32 C ATOM 1098 CG LEU A 74 0.738 -2.508 1.601 1.00 0.35 C ATOM 1099 CD1 LEU A 74 1.397 -1.468 0.708 1.00 0.60 C ATOM 1100 CD2 LEU A 74 1.371 -3.876 1.372 1.00 0.50 C ATOM 0 H LEU A 74 0.919 -1.689 5.505 1.00 0.28 H new ATOM 0 HA LEU A 74 2.531 -3.251 3.708 1.00 0.31 H new ATOM 0 HB2 LEU A 74 0.049 -2.729 3.627 1.00 0.32 H new ATOM 0 HB3 LEU A 74 0.466 -1.084 3.190 1.00 0.32 H new ATOM 0 HG LEU A 74 -0.316 -2.550 1.325 1.00 0.35 H new ATOM 0 HD11 LEU A 74 1.332 -1.788 -0.332 1.00 0.60 H new ATOM 0 HD12 LEU A 74 0.888 -0.512 0.826 1.00 0.60 H new ATOM 0 HD13 LEU A 74 2.444 -1.358 0.989 1.00 0.60 H new ATOM 0 HD21 LEU A 74 1.323 -4.126 0.312 1.00 0.50 H new ATOM 0 HD22 LEU A 74 2.412 -3.853 1.693 1.00 0.50 H new ATOM 0 HD23 LEU A 74 0.831 -4.628 1.947 1.00 0.50 H new ATOM 1112 N LEU A 75 3.072 -0.007 3.884 1.00 0.32 N ATOM 1113 CA LEU A 75 4.028 1.067 3.636 1.00 0.34 C ATOM 1114 C LEU A 75 5.402 0.706 4.190 1.00 0.33 C ATOM 1115 O LEU A 75 6.413 0.901 3.524 1.00 0.31 O ATOM 1116 CB LEU A 75 3.538 2.370 4.279 1.00 0.38 C ATOM 1117 CG LEU A 75 4.397 3.613 4.040 1.00 0.45 C ATOM 1118 CD1 LEU A 75 4.460 3.936 2.561 1.00 0.52 C ATOM 1119 CD2 LEU A 75 3.850 4.798 4.823 1.00 0.52 C ATOM 0 H LEU A 75 2.265 0.290 4.433 1.00 0.32 H new ATOM 0 HA LEU A 75 4.111 1.206 2.558 1.00 0.34 H new ATOM 0 HB2 LEU A 75 2.532 2.574 3.912 1.00 0.38 H new ATOM 0 HB3 LEU A 75 3.459 2.211 5.354 1.00 0.38 H new ATOM 0 HG LEU A 75 5.408 3.407 4.391 1.00 0.45 H new ATOM 0 HD11 LEU A 75 5.075 4.823 2.408 1.00 0.52 H new ATOM 0 HD12 LEU A 75 4.897 3.095 2.023 1.00 0.52 H new ATOM 0 HD13 LEU A 75 3.454 4.123 2.186 1.00 0.52 H new ATOM 0 HD21 LEU A 75 4.473 5.673 4.641 1.00 0.52 H new ATOM 0 HD22 LEU A 75 2.829 5.006 4.502 1.00 0.52 H new ATOM 0 HD23 LEU A 75 3.855 4.564 5.888 1.00 0.52 H new ATOM 1131 N ASP A 76 5.416 0.176 5.409 1.00 0.35 N ATOM 1132 CA ASP A 76 6.651 -0.234 6.102 1.00 0.37 C ATOM 1133 C ASP A 76 7.406 -1.290 5.305 1.00 0.34 C ATOM 1134 O ASP A 76 8.632 -1.224 5.177 1.00 0.35 O ATOM 1135 CB ASP A 76 6.338 -0.738 7.517 1.00 0.45 C ATOM 1136 CG ASP A 76 7.569 -1.196 8.280 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.368 -0.336 8.720 1.00 0.69 O ATOM 1138 OD2 ASP A 76 7.746 -2.426 8.468 1.00 0.59 O ATOM 0 H ASP A 76 4.570 0.014 5.955 1.00 0.35 H new ATOM 0 HA ASP A 76 7.294 0.642 6.186 1.00 0.37 H new ATOM 0 HB2 ASP A 76 5.847 0.057 8.078 1.00 0.45 H new ATOM 0 HB3 ASP A 76 5.631 -1.565 7.452 1.00 0.45 H new ATOM 1143 N LEU A 77 6.662 -2.223 4.712 1.00 0.34 N ATOM 1144 CA LEU A 77 7.243 -3.242 3.869 1.00 0.35 C ATOM 1145 C LEU A 77 7.891 -2.620 2.642 1.00 0.34 C ATOM 1146 O LEU A 77 8.964 -3.051 2.214 1.00 0.43 O ATOM 1147 CB LEU A 77 6.189 -4.273 3.455 1.00 0.38 C ATOM 1148 CG LEU A 77 6.085 -5.562 4.296 1.00 0.43 C ATOM 1149 CD1 LEU A 77 7.391 -6.341 4.256 1.00 1.15 C ATOM 1150 CD2 LEU A 77 5.679 -5.274 5.733 1.00 1.54 C ATOM 0 H LEU A 77 5.648 -2.286 4.807 1.00 0.34 H new ATOM 0 HA LEU A 77 8.015 -3.755 4.443 1.00 0.35 H new ATOM 0 HB2 LEU A 77 5.215 -3.783 3.469 1.00 0.38 H new ATOM 0 HB3 LEU A 77 6.387 -4.560 2.422 1.00 0.38 H new ATOM 0 HG LEU A 77 5.300 -6.173 3.851 1.00 0.43 H new ATOM 0 HD11 LEU A 77 7.294 -7.246 4.856 1.00 1.15 H new ATOM 0 HD12 LEU A 77 7.622 -6.612 3.226 1.00 1.15 H new ATOM 0 HD13 LEU A 77 8.195 -5.724 4.658 1.00 1.15 H new ATOM 0 HD21 LEU A 77 5.618 -6.210 6.288 1.00 1.54 H new ATOM 0 HD22 LEU A 77 6.421 -4.624 6.197 1.00 1.54 H new ATOM 0 HD23 LEU A 77 4.707 -4.781 5.745 1.00 1.54 H new ATOM 1162 N ILE A 78 7.261 -1.581 2.107 1.00 0.27 N ATOM 1163 CA ILE A 78 7.800 -0.882 0.958 1.00 0.26 C ATOM 1164 C ILE A 78 8.991 -0.044 1.387 1.00 0.28 C ATOM 1165 O ILE A 78 9.983 -0.001 0.703 1.00 0.33 O ATOM 1166 CB ILE A 78 6.748 0.016 0.239 1.00 0.21 C ATOM 1167 CG1 ILE A 78 5.564 -0.835 -0.215 1.00 0.25 C ATOM 1168 CG2 ILE A 78 7.382 0.725 -0.964 1.00 0.25 C ATOM 1169 CD1 ILE A 78 4.495 -0.085 -0.981 1.00 0.29 C ATOM 0 H ILE A 78 6.377 -1.208 2.454 1.00 0.27 H new ATOM 0 HA ILE A 78 8.108 -1.639 0.237 1.00 0.26 H new ATOM 0 HB ILE A 78 6.395 0.773 0.939 1.00 0.21 H new ATOM 0 HG12 ILE A 78 5.937 -1.646 -0.841 1.00 0.25 H new ATOM 0 HG13 ILE A 78 5.107 -1.293 0.662 1.00 0.25 H new ATOM 0 HG21 ILE A 78 6.634 1.348 -1.455 1.00 0.25 H new ATOM 0 HG22 ILE A 78 8.208 1.350 -0.624 1.00 0.25 H new ATOM 0 HG23 ILE A 78 7.755 -0.018 -1.669 1.00 0.25 H new ATOM 0 HD11 ILE A 78 3.697 -0.773 -1.260 1.00 0.29 H new ATOM 0 HD12 ILE A 78 4.087 0.708 -0.354 1.00 0.29 H new ATOM 0 HD13 ILE A 78 4.930 0.350 -1.881 1.00 0.29 H new ATOM 1181 N ASN A 79 8.899 0.586 2.551 1.00 0.28 N ATOM 1182 CA ASN A 79 10.004 1.408 3.071 1.00 0.32 C ATOM 1183 C ASN A 79 11.234 0.563 3.299 1.00 0.34 C ATOM 1184 O ASN A 79 12.347 0.973 2.963 1.00 0.37 O ATOM 1185 CB ASN A 79 9.638 2.165 4.364 1.00 0.37 C ATOM 1186 CG ASN A 79 8.838 3.452 4.152 1.00 0.43 C ATOM 1187 OD1 ASN A 79 8.983 4.408 4.903 1.00 1.24 O ATOM 1188 ND2 ASN A 79 7.974 3.488 3.172 1.00 0.69 N ATOM 0 H ASN A 79 8.079 0.549 3.156 1.00 0.28 H new ATOM 0 HA ASN A 79 10.211 2.159 2.309 1.00 0.32 H new ATOM 0 HB2 ASN A 79 9.063 1.499 5.007 1.00 0.37 H new ATOM 0 HB3 ASN A 79 10.557 2.409 4.897 1.00 0.37 H new ATOM 0 HD21 ASN A 79 7.407 4.322 3.023 1.00 0.69 H new ATOM 0 HD22 ASN A 79 7.867 2.682 2.556 1.00 0.69 H new ATOM 1195 N GLY A 80 11.029 -0.623 3.841 1.00 0.37 N ATOM 1196 CA GLY A 80 12.115 -1.555 4.033 1.00 0.43 C ATOM 1197 C GLY A 80 12.671 -2.046 2.706 1.00 0.42 C ATOM 1198 O GLY A 80 13.873 -2.288 2.570 1.00 0.50 O ATOM 0 H GLY A 80 10.119 -0.960 4.155 1.00 0.37 H new ATOM 0 HA2 GLY A 80 12.909 -1.077 4.606 1.00 0.43 H new ATOM 0 HA3 GLY A 80 11.766 -2.405 4.619 1.00 0.43 H new ATOM 1202 N ALA A 81 11.802 -2.174 1.729 1.00 0.38 N ATOM 1203 CA ALA A 81 12.187 -2.609 0.397 1.00 0.40 C ATOM 1204 C ALA A 81 12.922 -1.492 -0.347 1.00 0.37 C ATOM 1205 O ALA A 81 13.769 -1.738 -1.194 1.00 0.44 O ATOM 1206 CB ALA A 81 10.965 -3.070 -0.379 1.00 0.42 C ATOM 0 H ALA A 81 10.806 -1.980 1.831 1.00 0.38 H new ATOM 0 HA ALA A 81 12.871 -3.452 0.490 1.00 0.40 H new ATOM 0 HB1 ALA A 81 11.267 -3.393 -1.375 1.00 0.42 H new ATOM 0 HB2 ALA A 81 10.494 -3.902 0.145 1.00 0.42 H new ATOM 0 HB3 ALA A 81 10.256 -2.246 -0.464 1.00 0.42 H new ATOM 1212 N LEU A 82 12.613 -0.258 0.005 1.00 0.35 N ATOM 1213 CA LEU A 82 13.242 0.917 -0.591 1.00 0.39 C ATOM 1214 C LEU A 82 14.715 1.026 -0.215 1.00 0.53 C ATOM 1215 O LEU A 82 15.445 1.828 -0.790 1.00 0.67 O ATOM 1216 CB LEU A 82 12.489 2.204 -0.227 1.00 0.39 C ATOM 1217 CG LEU A 82 11.088 2.361 -0.827 1.00 0.37 C ATOM 1218 CD1 LEU A 82 10.420 3.613 -0.297 1.00 0.49 C ATOM 1219 CD2 LEU A 82 11.160 2.412 -2.343 1.00 0.49 C ATOM 0 H LEU A 82 11.916 -0.036 0.716 1.00 0.35 H new ATOM 0 HA LEU A 82 13.187 0.790 -1.672 1.00 0.39 H new ATOM 0 HB2 LEU A 82 12.405 2.256 0.858 1.00 0.39 H new ATOM 0 HB3 LEU A 82 13.093 3.055 -0.541 1.00 0.39 H new ATOM 0 HG LEU A 82 10.493 1.496 -0.534 1.00 0.37 H new ATOM 0 HD11 LEU A 82 9.426 3.708 -0.734 1.00 0.49 H new ATOM 0 HD12 LEU A 82 10.335 3.549 0.788 1.00 0.49 H new ATOM 0 HD13 LEU A 82 11.018 4.485 -0.563 1.00 0.49 H new ATOM 0 HD21 LEU A 82 10.156 2.524 -2.751 1.00 0.49 H new ATOM 0 HD22 LEU A 82 11.773 3.260 -2.650 1.00 0.49 H new ATOM 0 HD23 LEU A 82 11.603 1.489 -2.717 1.00 0.49 H new ATOM 1231 N ALA A 83 15.136 0.232 0.765 1.00 0.63 N ATOM 1232 CA ALA A 83 16.529 0.182 1.161 1.00 0.81 C ATOM 1233 C ALA A 83 17.389 -0.356 0.017 1.00 0.84 C ATOM 1234 O ALA A 83 18.522 0.075 -0.167 1.00 1.00 O ATOM 1235 CB ALA A 83 16.708 -0.661 2.414 1.00 0.99 C ATOM 0 H ALA A 83 14.525 -0.386 1.298 1.00 0.63 H new ATOM 0 HA ALA A 83 16.856 1.196 1.391 1.00 0.81 H new ATOM 0 HB1 ALA A 83 17.762 -0.683 2.690 1.00 0.99 H new ATOM 0 HB2 ALA A 83 16.128 -0.229 3.229 1.00 0.99 H new ATOM 0 HB3 ALA A 83 16.362 -1.677 2.222 1.00 0.99 H new ATOM 1241 N GLU A 84 16.835 -1.286 -0.754 1.00 0.79 N ATOM 1242 CA GLU A 84 17.537 -1.838 -1.903 1.00 0.94 C ATOM 1243 C GLU A 84 17.204 -1.013 -3.158 1.00 0.95 C ATOM 1244 O GLU A 84 18.113 -0.493 -3.811 1.00 1.34 O ATOM 1245 CB GLU A 84 17.236 -3.356 -2.071 1.00 1.11 C ATOM 1246 CG GLU A 84 15.765 -3.703 -2.247 1.00 1.64 C ATOM 1247 CD GLU A 84 15.457 -5.153 -2.039 1.00 1.84 C ATOM 1248 OE1 GLU A 84 15.640 -5.667 -0.927 1.00 2.22 O ATOM 1249 OE2 GLU A 84 15.111 -5.834 -3.027 1.00 2.18 O ATOM 0 H GLU A 84 15.903 -1.672 -0.603 1.00 0.79 H new ATOM 0 HA GLU A 84 18.613 -1.766 -1.741 1.00 0.94 H new ATOM 0 HB2 GLU A 84 17.787 -3.727 -2.935 1.00 1.11 H new ATOM 0 HB3 GLU A 84 17.617 -3.886 -1.198 1.00 1.11 H new ATOM 0 HG2 GLU A 84 15.176 -3.112 -1.546 1.00 1.64 H new ATOM 0 HG3 GLU A 84 15.451 -3.415 -3.250 1.00 1.64 H new