USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 458 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 NoAdj-H: A 118 HIS HD1 : A 118 HIS ND1 : A 2 ZNZN :(H bumps) USER MOD NoAdj-H: A 154 HIS HD1 : A 154 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Single : A 142 GLN : amide:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 148 ASN : amide:sc= -1.45 K(o=-1.4,f=-0.87) USER MOD Single : A 150 LYS NZ :NH3+ 160:sc= -1.28 (180deg=-1.86) USER MOD Single : A 152 THR OG1 : rot 180:sc= -0.607 USER MOD Single : A 153 CYS SG : rot -42:sc= -2.33! USER MOD Single : A 155 SER OG : rot 120:sc= 0 USER MOD Single : A 159 SER OG : rot 180:sc= 0 USER MOD Single : A 162 GLN : amide:sc= -1.39 X(o=-1.4,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 108 81.991 -5.955 7.076 1.00 10.33 N ATOM 2 CA PRO A 108 81.816 -5.154 8.318 1.00 9.87 C ATOM 3 C PRO A 108 83.072 -4.353 8.655 1.00 9.14 C ATOM 4 O PRO A 108 82.992 -3.181 9.023 1.00 9.03 O ATOM 5 CB PRO A 108 81.487 -6.126 9.448 1.00 10.34 C ATOM 6 CG PRO A 108 81.340 -7.448 8.771 1.00 11.01 C ATOM 7 CD PRO A 108 82.132 -7.360 7.489 1.00 10.96 C ATOM 0 HA PRO A 108 81.012 -4.432 8.178 1.00 9.87 H new ATOM 0 HB2 PRO A 108 82.280 -6.149 10.196 1.00 10.34 H new ATOM 0 HB3 PRO A 108 80.570 -5.840 9.964 1.00 10.34 H new ATOM 0 HG2 PRO A 108 81.714 -8.252 9.404 1.00 11.01 H new ATOM 0 HG3 PRO A 108 80.292 -7.665 8.566 1.00 11.01 H new ATOM 0 HD2 PRO A 108 83.177 -7.626 7.647 1.00 10.96 H new ATOM 0 HD3 PRO A 108 81.741 -8.039 6.731 1.00 10.96 H new ATOM 17 N ARG A 109 84.230 -4.993 8.526 1.00 8.91 N ATOM 18 CA ARG A 109 85.501 -4.339 8.816 1.00 8.49 C ATOM 19 C ARG A 109 85.706 -3.124 7.914 1.00 7.86 C ATOM 20 O ARG A 109 86.351 -2.152 8.304 1.00 7.78 O ATOM 21 CB ARG A 109 86.658 -5.326 8.637 1.00 8.84 C ATOM 22 CG ARG A 109 87.508 -5.497 9.887 1.00 9.50 C ATOM 23 CD ARG A 109 87.894 -6.951 10.107 1.00 10.20 C ATOM 24 NE ARG A 109 89.337 -7.117 10.263 1.00 10.78 N ATOM 25 CZ ARG A 109 89.995 -6.856 11.390 1.00 11.32 C ATOM 26 NH1 ARG A 109 89.345 -6.421 12.462 1.00 11.37 N ATOM 27 NH2 ARG A 109 91.308 -7.035 11.446 1.00 12.00 N ATOM 0 H ARG A 109 84.314 -5.963 8.223 1.00 8.91 H new ATOM 0 HA ARG A 109 85.480 -3.999 9.852 1.00 8.49 H new ATOM 0 HB2 ARG A 109 86.256 -6.296 8.345 1.00 8.84 H new ATOM 0 HB3 ARG A 109 87.293 -4.985 7.819 1.00 8.84 H new ATOM 0 HG2 ARG A 109 88.409 -4.890 9.801 1.00 9.50 H new ATOM 0 HG3 ARG A 109 86.959 -5.131 10.754 1.00 9.50 H new ATOM 0 HD2 ARG A 109 87.388 -7.330 10.995 1.00 10.20 H new ATOM 0 HD3 ARG A 109 87.549 -7.549 9.263 1.00 10.20 H new ATOM 0 HE ARG A 109 89.871 -7.452 9.462 1.00 10.78 H new ATOM 0 HH11 ARG A 109 88.335 -6.285 12.425 1.00 11.37 H new ATOM 0 HH12 ARG A 109 89.856 -6.223 13.323 1.00 11.37 H new ATOM 0 HH21 ARG A 109 91.812 -7.372 10.626 1.00 12.00 H new ATOM 0 HH22 ARG A 109 91.814 -6.835 12.309 1.00 12.00 H new ATOM 41 N VAL A 110 85.152 -3.188 6.707 1.00 7.68 N ATOM 42 CA VAL A 110 85.274 -2.095 5.751 1.00 7.34 C ATOM 43 C VAL A 110 84.698 -0.802 6.321 1.00 6.54 C ATOM 44 O VAL A 110 85.172 0.291 6.010 1.00 6.26 O ATOM 45 CB VAL A 110 84.561 -2.426 4.425 1.00 7.82 C ATOM 46 CG1 VAL A 110 83.074 -2.654 4.654 1.00 8.21 C ATOM 47 CG2 VAL A 110 84.789 -1.321 3.404 1.00 8.46 C ATOM 0 H VAL A 110 84.614 -3.986 6.369 1.00 7.68 H new ATOM 0 HA VAL A 110 86.338 -1.960 5.556 1.00 7.34 H new ATOM 0 HB VAL A 110 84.986 -3.348 4.029 1.00 7.82 H new ATOM 0 HG11 VAL A 110 82.591 -2.886 3.705 1.00 8.21 H new ATOM 0 HG12 VAL A 110 82.936 -3.486 5.345 1.00 8.21 H new ATOM 0 HG13 VAL A 110 82.629 -1.753 5.077 1.00 8.21 H new ATOM 0 HG21 VAL A 110 84.278 -1.573 2.475 1.00 8.46 H new ATOM 0 HG22 VAL A 110 84.396 -0.381 3.791 1.00 8.46 H new ATOM 0 HG23 VAL A 110 85.857 -1.216 3.214 1.00 8.46 H new ATOM 57 N LEU A 111 83.674 -0.934 7.159 1.00 6.49 N ATOM 58 CA LEU A 111 83.035 0.224 7.771 1.00 6.05 C ATOM 59 C LEU A 111 83.765 0.638 9.045 1.00 5.68 C ATOM 60 O LEU A 111 83.426 0.190 10.141 1.00 6.10 O ATOM 61 CB LEU A 111 81.566 -0.086 8.082 1.00 6.60 C ATOM 62 CG LEU A 111 80.556 0.876 7.453 1.00 6.95 C ATOM 63 CD1 LEU A 111 79.321 0.124 6.982 1.00 7.53 C ATOM 64 CD2 LEU A 111 80.172 1.966 8.444 1.00 7.37 C ATOM 0 H LEU A 111 83.270 -1.831 7.429 1.00 6.49 H new ATOM 0 HA LEU A 111 83.082 1.053 7.065 1.00 6.05 H new ATOM 0 HB2 LEU A 111 81.343 -1.097 7.741 1.00 6.60 H new ATOM 0 HB3 LEU A 111 81.429 -0.077 9.163 1.00 6.60 H new ATOM 0 HG LEU A 111 81.022 1.345 6.586 1.00 6.95 H new ATOM 0 HD11 LEU A 111 78.615 0.826 6.538 1.00 7.53 H new ATOM 0 HD12 LEU A 111 79.609 -0.620 6.239 1.00 7.53 H new ATOM 0 HD13 LEU A 111 78.852 -0.374 7.831 1.00 7.53 H new ATOM 0 HD21 LEU A 111 79.453 2.642 7.981 1.00 7.37 H new ATOM 0 HD22 LEU A 111 79.726 1.512 9.329 1.00 7.37 H new ATOM 0 HD23 LEU A 111 81.062 2.525 8.733 1.00 7.37 H new ATOM 76 N ALA A 112 84.769 1.495 8.893 1.00 5.15 N ATOM 77 CA ALA A 112 85.548 1.970 10.030 1.00 4.90 C ATOM 78 C ALA A 112 84.689 2.811 10.969 1.00 5.28 C ATOM 79 O ALA A 112 84.112 3.820 10.563 1.00 5.66 O ATOM 80 CB ALA A 112 86.747 2.772 9.550 1.00 4.47 C ATOM 0 H ALA A 112 85.062 1.875 7.993 1.00 5.15 H new ATOM 0 HA ALA A 112 85.904 1.101 10.584 1.00 4.90 H new ATOM 0 HB1 ALA A 112 87.319 3.120 10.410 1.00 4.47 H new ATOM 0 HB2 ALA A 112 87.379 2.142 8.924 1.00 4.47 H new ATOM 0 HB3 ALA A 112 86.403 3.629 8.972 1.00 4.47 H new ATOM 86 N GLU A 113 84.606 2.387 12.227 1.00 5.43 N ATOM 87 CA GLU A 113 83.814 3.098 13.224 1.00 5.94 C ATOM 88 C GLU A 113 84.672 4.090 14.007 1.00 6.10 C ATOM 89 O GLU A 113 84.389 4.385 15.168 1.00 6.17 O ATOM 90 CB GLU A 113 83.164 2.102 14.186 1.00 6.32 C ATOM 91 CG GLU A 113 82.518 0.916 13.490 1.00 6.89 C ATOM 92 CD GLU A 113 81.463 0.242 14.343 1.00 7.44 C ATOM 93 OE1 GLU A 113 80.547 0.945 14.818 1.00 7.69 O ATOM 94 OE2 GLU A 113 81.552 -0.990 14.535 1.00 7.92 O ATOM 0 H GLU A 113 85.078 1.554 12.579 1.00 5.43 H new ATOM 0 HA GLU A 113 83.038 3.657 12.701 1.00 5.94 H new ATOM 0 HB2 GLU A 113 83.919 1.737 14.882 1.00 6.32 H new ATOM 0 HB3 GLU A 113 82.409 2.621 14.777 1.00 6.32 H new ATOM 0 HG2 GLU A 113 82.066 1.250 12.556 1.00 6.89 H new ATOM 0 HG3 GLU A 113 83.288 0.189 13.229 1.00 6.89 H new ATOM 101 N ARG A 114 85.720 4.599 13.368 1.00 6.45 N ATOM 102 CA ARG A 114 86.615 5.557 14.011 1.00 6.82 C ATOM 103 C ARG A 114 86.424 6.954 13.431 1.00 6.52 C ATOM 104 O ARG A 114 85.989 7.111 12.291 1.00 6.48 O ATOM 105 CB ARG A 114 88.070 5.117 13.844 1.00 7.39 C ATOM 106 CG ARG A 114 88.400 3.817 14.560 1.00 8.23 C ATOM 107 CD ARG A 114 89.900 3.592 14.646 1.00 8.84 C ATOM 108 NE ARG A 114 90.255 2.186 14.466 1.00 9.52 N ATOM 109 CZ ARG A 114 90.147 1.267 15.421 1.00 10.11 C ATOM 110 NH1 ARG A 114 89.697 1.598 16.624 1.00 10.12 N ATOM 111 NH2 ARG A 114 90.492 0.009 15.173 1.00 10.88 N ATOM 0 H ARG A 114 85.971 4.365 12.407 1.00 6.45 H new ATOM 0 HA ARG A 114 86.371 5.588 15.073 1.00 6.82 H new ATOM 0 HB2 ARG A 114 88.286 5.002 12.782 1.00 7.39 H new ATOM 0 HB3 ARG A 114 88.724 5.904 14.219 1.00 7.39 H new ATOM 0 HG2 ARG A 114 87.976 3.836 15.564 1.00 8.23 H new ATOM 0 HG3 ARG A 114 87.936 2.983 14.034 1.00 8.23 H new ATOM 0 HD2 ARG A 114 90.401 4.192 13.886 1.00 8.84 H new ATOM 0 HD3 ARG A 114 90.263 3.936 15.614 1.00 8.84 H new ATOM 0 HE ARG A 114 90.606 1.892 13.555 1.00 9.52 H new ATOM 0 HH11 ARG A 114 89.431 2.563 16.821 1.00 10.12 H new ATOM 0 HH12 ARG A 114 89.617 0.888 17.352 1.00 10.12 H new ATOM 0 HH21 ARG A 114 90.840 -0.252 14.250 1.00 10.88 H new ATOM 0 HH22 ARG A 114 90.409 -0.696 15.905 1.00 10.88 H new ATOM 125 N GLY A 115 86.754 7.967 14.225 1.00 6.59 N ATOM 126 CA GLY A 115 86.614 9.339 13.774 1.00 6.53 C ATOM 127 C GLY A 115 87.768 9.781 12.896 1.00 6.78 C ATOM 128 O GLY A 115 87.793 9.491 11.701 1.00 6.99 O ATOM 0 H GLY A 115 87.116 7.862 15.173 1.00 6.59 H new ATOM 0 HA2 GLY A 115 85.680 9.443 13.221 1.00 6.53 H new ATOM 0 HA3 GLY A 115 86.547 9.998 14.640 1.00 6.53 H new ATOM 132 N GLU A 116 88.726 10.485 13.491 1.00 6.92 N ATOM 133 CA GLU A 116 89.888 10.969 12.756 1.00 7.28 C ATOM 134 C GLU A 116 90.912 9.854 12.563 1.00 7.01 C ATOM 135 O GLU A 116 91.757 9.618 13.427 1.00 7.37 O ATOM 136 CB GLU A 116 90.531 12.145 13.491 1.00 7.73 C ATOM 137 CG GLU A 116 91.291 13.092 12.577 1.00 8.27 C ATOM 138 CD GLU A 116 92.234 14.004 13.337 1.00 8.72 C ATOM 139 OE1 GLU A 116 93.030 13.489 14.150 1.00 9.05 O ATOM 140 OE2 GLU A 116 92.178 15.232 13.118 1.00 8.96 O ATOM 0 H GLU A 116 88.720 10.733 14.480 1.00 6.92 H new ATOM 0 HA GLU A 116 89.552 11.304 11.775 1.00 7.28 H new ATOM 0 HB2 GLU A 116 89.755 12.703 14.015 1.00 7.73 H new ATOM 0 HB3 GLU A 116 91.213 11.760 14.249 1.00 7.73 H new ATOM 0 HG2 GLU A 116 91.860 12.512 11.850 1.00 8.27 H new ATOM 0 HG3 GLU A 116 90.580 13.698 12.015 1.00 8.27 H new ATOM 147 N GLY A 117 90.830 9.173 11.425 1.00 6.59 N ATOM 148 CA GLY A 117 91.757 8.094 11.139 1.00 6.40 C ATOM 149 C GLY A 117 91.551 7.505 9.757 1.00 5.64 C ATOM 150 O GLY A 117 90.661 7.929 9.021 1.00 5.49 O ATOM 0 H GLY A 117 90.139 9.349 10.696 1.00 6.59 H new ATOM 0 HA2 GLY A 117 92.779 8.464 11.224 1.00 6.40 H new ATOM 0 HA3 GLY A 117 91.639 7.310 11.886 1.00 6.40 H new ATOM 154 N HIS A 118 92.378 6.526 9.403 1.00 5.19 N ATOM 155 CA HIS A 118 92.283 5.877 8.101 1.00 4.46 C ATOM 156 C HIS A 118 90.911 5.237 7.910 1.00 4.06 C ATOM 157 O HIS A 118 90.472 4.433 8.730 1.00 4.20 O ATOM 158 CB HIS A 118 93.375 4.818 7.954 1.00 4.14 C ATOM 159 CG HIS A 118 94.713 5.379 7.584 1.00 4.36 C ATOM 160 ND1 HIS A 118 94.895 6.725 7.375 1.00 4.82 N ATOM 161 CD2 HIS A 118 95.895 4.740 7.401 1.00 4.24 C ATOM 162 CE1 HIS A 118 96.171 6.875 7.073 1.00 4.97 C ATOM 163 NE2 HIS A 118 96.818 5.700 7.075 1.00 4.60 N ATOM 0 H HIS A 118 93.122 6.165 10.000 1.00 5.19 H new ATOM 0 HA HIS A 118 92.419 6.639 7.334 1.00 4.46 H new ATOM 0 HB2 HIS A 118 93.467 4.272 8.893 1.00 4.14 H new ATOM 0 HB3 HIS A 118 93.070 4.098 7.194 1.00 4.14 H new ATOM 0 HD2 HIS A 118 96.075 3.679 7.494 1.00 4.24 H new ATOM 0 HE1 HIS A 118 96.636 7.824 6.852 1.00 4.97 H new ATOM 0 HE2 HIS A 118 97.806 5.550 6.873 1.00 4.60 H new ATOM 171 N ARG A 119 90.242 5.601 6.821 1.00 3.68 N ATOM 172 CA ARG A 119 88.920 5.059 6.521 1.00 3.29 C ATOM 173 C ARG A 119 89.031 3.803 5.661 1.00 2.55 C ATOM 174 O ARG A 119 88.396 2.787 5.945 1.00 2.42 O ATOM 175 CB ARG A 119 88.065 6.110 5.810 1.00 3.40 C ATOM 176 CG ARG A 119 88.604 6.518 4.449 1.00 3.29 C ATOM 177 CD ARG A 119 87.954 7.799 3.954 1.00 3.67 C ATOM 178 NE ARG A 119 86.800 7.532 3.100 1.00 3.86 N ATOM 179 CZ ARG A 119 86.250 8.436 2.293 1.00 4.35 C ATOM 180 NH1 ARG A 119 86.744 9.667 2.226 1.00 4.64 N ATOM 181 NH2 ARG A 119 85.201 8.110 1.551 1.00 4.88 N ATOM 0 H ARG A 119 90.592 6.267 6.132 1.00 3.68 H new ATOM 0 HA ARG A 119 88.440 4.790 7.462 1.00 3.29 H new ATOM 0 HB2 ARG A 119 87.054 5.721 5.689 1.00 3.40 H new ATOM 0 HB3 ARG A 119 87.993 6.995 6.442 1.00 3.40 H new ATOM 0 HG2 ARG A 119 89.683 6.657 4.511 1.00 3.29 H new ATOM 0 HG3 ARG A 119 88.426 5.717 3.731 1.00 3.29 H new ATOM 0 HD2 ARG A 119 87.642 8.401 4.808 1.00 3.67 H new ATOM 0 HD3 ARG A 119 88.686 8.387 3.401 1.00 3.67 H new ATOM 0 HE ARG A 119 86.391 6.598 3.123 1.00 3.86 H new ATOM 0 HH11 ARG A 119 87.550 9.925 2.795 1.00 4.64 H new ATOM 0 HH12 ARG A 119 86.317 10.355 1.605 1.00 4.64 H new ATOM 0 HH21 ARG A 119 84.816 7.167 1.599 1.00 4.88 H new ATOM 0 HH22 ARG A 119 84.779 8.802 0.932 1.00 4.88 H new ATOM 195 N PHE A 120 89.841 3.882 4.610 1.00 2.20 N ATOM 196 CA PHE A 120 90.041 2.754 3.707 1.00 1.52 C ATOM 197 C PHE A 120 88.712 2.215 3.189 1.00 1.27 C ATOM 198 O PHE A 120 88.056 1.415 3.854 1.00 1.46 O ATOM 199 CB PHE A 120 90.802 1.633 4.415 1.00 1.60 C ATOM 200 CG PHE A 120 92.278 1.879 4.529 1.00 1.77 C ATOM 201 CD1 PHE A 120 93.083 1.897 3.401 1.00 1.32 C ATOM 202 CD2 PHE A 120 92.862 2.089 5.768 1.00 2.46 C ATOM 203 CE1 PHE A 120 94.441 2.123 3.506 1.00 1.56 C ATOM 204 CE2 PHE A 120 94.220 2.315 5.879 1.00 2.70 C ATOM 205 CZ PHE A 120 95.012 2.332 4.748 1.00 2.25 C ATOM 0 H PHE A 120 90.371 4.718 4.362 1.00 2.20 H new ATOM 0 HA PHE A 120 90.625 3.112 2.859 1.00 1.52 H new ATOM 0 HB2 PHE A 120 90.387 1.500 5.414 1.00 1.60 H new ATOM 0 HB3 PHE A 120 90.640 0.700 3.876 1.00 1.60 H new ATOM 0 HD1 PHE A 120 92.643 1.732 2.429 1.00 1.32 H new ATOM 0 HD2 PHE A 120 92.248 2.076 6.657 1.00 2.46 H new ATOM 0 HE1 PHE A 120 95.057 2.137 2.619 1.00 1.56 H new ATOM 0 HE2 PHE A 120 94.663 2.478 6.851 1.00 2.70 H new ATOM 0 HZ PHE A 120 96.074 2.508 4.833 1.00 2.25 H new ATOM 215 N VAL A 121 88.325 2.646 1.995 1.00 1.28 N ATOM 216 CA VAL A 121 87.081 2.188 1.393 1.00 1.47 C ATOM 217 C VAL A 121 87.343 1.030 0.436 1.00 1.73 C ATOM 218 O VAL A 121 87.843 1.227 -0.672 1.00 2.05 O ATOM 219 CB VAL A 121 86.355 3.321 0.642 1.00 2.05 C ATOM 220 CG1 VAL A 121 85.688 4.272 1.625 1.00 2.26 C ATOM 221 CG2 VAL A 121 87.317 4.072 -0.263 1.00 2.59 C ATOM 0 H VAL A 121 88.852 3.309 1.427 1.00 1.28 H new ATOM 0 HA VAL A 121 86.438 1.851 2.206 1.00 1.47 H new ATOM 0 HB VAL A 121 85.581 2.875 0.017 1.00 2.05 H new ATOM 0 HG11 VAL A 121 85.180 5.065 1.076 1.00 2.26 H new ATOM 0 HG12 VAL A 121 84.962 3.724 2.225 1.00 2.26 H new ATOM 0 HG13 VAL A 121 86.443 4.709 2.278 1.00 2.26 H new ATOM 0 HG21 VAL A 121 86.782 4.867 -0.783 1.00 2.59 H new ATOM 0 HG22 VAL A 121 88.118 4.505 0.337 1.00 2.59 H new ATOM 0 HG23 VAL A 121 87.742 3.383 -0.993 1.00 2.59 H new ATOM 231 N GLU A 122 87.013 -0.179 0.875 1.00 1.96 N ATOM 232 CA GLU A 122 87.219 -1.371 0.062 1.00 2.61 C ATOM 233 C GLU A 122 86.415 -1.295 -1.231 1.00 3.15 C ATOM 234 O GLU A 122 85.208 -1.057 -1.211 1.00 3.31 O ATOM 235 CB GLU A 122 86.829 -2.626 0.851 1.00 3.09 C ATOM 236 CG GLU A 122 87.994 -3.570 1.103 1.00 3.41 C ATOM 237 CD GLU A 122 87.653 -4.657 2.106 1.00 3.75 C ATOM 238 OE1 GLU A 122 86.451 -4.903 2.330 1.00 4.00 O ATOM 239 OE2 GLU A 122 88.593 -5.262 2.666 1.00 4.17 O ATOM 0 H GLU A 122 86.601 -0.360 1.791 1.00 1.96 H new ATOM 0 HA GLU A 122 88.277 -1.427 -0.195 1.00 2.61 H new ATOM 0 HB2 GLU A 122 86.401 -2.326 1.808 1.00 3.09 H new ATOM 0 HB3 GLU A 122 86.050 -3.160 0.307 1.00 3.09 H new ATOM 0 HG2 GLU A 122 88.295 -4.030 0.162 1.00 3.41 H new ATOM 0 HG3 GLU A 122 88.848 -2.999 1.467 1.00 3.41 H new ATOM 246 N LEU A 123 87.093 -1.503 -2.355 1.00 3.56 N ATOM 247 CA LEU A 123 86.441 -1.458 -3.658 1.00 4.25 C ATOM 248 C LEU A 123 85.905 -2.834 -4.042 1.00 4.92 C ATOM 249 O LEU A 123 86.674 -3.759 -4.305 1.00 5.12 O ATOM 250 CB LEU A 123 87.418 -0.960 -4.725 1.00 4.48 C ATOM 251 CG LEU A 123 87.433 0.555 -4.929 1.00 4.92 C ATOM 252 CD1 LEU A 123 86.077 1.044 -5.412 1.00 5.51 C ATOM 253 CD2 LEU A 123 87.829 1.261 -3.641 1.00 5.24 C ATOM 0 H LEU A 123 88.092 -1.704 -2.389 1.00 3.56 H new ATOM 0 HA LEU A 123 85.602 -0.765 -3.595 1.00 4.25 H new ATOM 0 HB2 LEU A 123 88.423 -1.286 -4.457 1.00 4.48 H new ATOM 0 HB3 LEU A 123 87.171 -1.437 -5.673 1.00 4.48 H new ATOM 0 HG LEU A 123 88.173 0.792 -5.693 1.00 4.92 H new ATOM 0 HD11 LEU A 123 86.108 2.125 -5.551 1.00 5.51 H new ATOM 0 HD12 LEU A 123 85.833 0.563 -6.359 1.00 5.51 H new ATOM 0 HD13 LEU A 123 85.316 0.795 -4.672 1.00 5.51 H new ATOM 0 HD21 LEU A 123 87.835 2.339 -3.804 1.00 5.24 H new ATOM 0 HD22 LEU A 123 87.113 1.016 -2.857 1.00 5.24 H new ATOM 0 HD23 LEU A 123 88.824 0.935 -3.338 1.00 5.24 H new ATOM 265 N ALA A 124 84.583 -2.962 -4.073 1.00 5.38 N ATOM 266 CA ALA A 124 83.945 -4.225 -4.426 1.00 6.08 C ATOM 267 C ALA A 124 84.386 -4.698 -5.805 1.00 6.69 C ATOM 268 O ALA A 124 84.180 -4.010 -6.805 1.00 7.13 O ATOM 269 CB ALA A 124 82.431 -4.084 -4.373 1.00 6.38 C ATOM 0 H ALA A 124 83.932 -2.207 -3.858 1.00 5.38 H new ATOM 0 HA ALA A 124 84.255 -4.975 -3.699 1.00 6.08 H new ATOM 0 HB1 ALA A 124 81.968 -5.034 -4.639 1.00 6.38 H new ATOM 0 HB2 ALA A 124 82.127 -3.801 -3.365 1.00 6.38 H new ATOM 0 HB3 ALA A 124 82.112 -3.315 -5.077 1.00 6.38 H new ATOM 275 N LEU A 125 84.999 -5.878 -5.853 1.00 6.81 N ATOM 276 CA LEU A 125 85.472 -6.441 -7.113 1.00 7.42 C ATOM 277 C LEU A 125 84.326 -7.096 -7.881 1.00 8.16 C ATOM 278 O LEU A 125 83.772 -6.504 -8.808 1.00 8.46 O ATOM 279 CB LEU A 125 86.581 -7.462 -6.853 1.00 7.36 C ATOM 280 CG LEU A 125 87.964 -6.863 -6.590 1.00 6.97 C ATOM 281 CD1 LEU A 125 88.092 -6.428 -5.139 1.00 6.96 C ATOM 282 CD2 LEU A 125 89.054 -7.862 -6.949 1.00 7.07 C ATOM 0 H LEU A 125 85.179 -6.461 -5.036 1.00 6.81 H new ATOM 0 HA LEU A 125 85.872 -5.629 -7.720 1.00 7.42 H new ATOM 0 HB2 LEU A 125 86.298 -8.073 -5.996 1.00 7.36 H new ATOM 0 HB3 LEU A 125 86.648 -8.129 -7.712 1.00 7.36 H new ATOM 0 HG LEU A 125 88.083 -5.983 -7.222 1.00 6.97 H new ATOM 0 HD11 LEU A 125 89.082 -6.005 -4.972 1.00 6.96 H new ATOM 0 HD12 LEU A 125 87.334 -5.677 -4.916 1.00 6.96 H new ATOM 0 HD13 LEU A 125 87.951 -7.290 -4.487 1.00 6.96 H new ATOM 0 HD21 LEU A 125 90.031 -7.419 -6.756 1.00 7.07 H new ATOM 0 HD22 LEU A 125 88.937 -8.761 -6.344 1.00 7.07 H new ATOM 0 HD23 LEU A 125 88.976 -8.122 -8.005 1.00 7.07 H new ATOM 294 N ARG A 126 83.976 -8.319 -7.492 1.00 8.60 N ATOM 295 CA ARG A 126 82.896 -9.054 -8.147 1.00 9.37 C ATOM 296 C ARG A 126 83.084 -9.069 -9.663 1.00 9.91 C ATOM 297 O ARG A 126 82.116 -9.165 -10.417 1.00 10.39 O ATOM 298 CB ARG A 126 81.542 -8.433 -7.792 1.00 9.55 C ATOM 299 CG ARG A 126 80.519 -9.448 -7.310 1.00 9.90 C ATOM 300 CD ARG A 126 79.872 -10.183 -8.472 1.00 10.24 C ATOM 301 NE ARG A 126 78.482 -10.538 -8.190 1.00 10.60 N ATOM 302 CZ ARG A 126 77.467 -9.680 -8.271 1.00 11.07 C ATOM 303 NH1 ARG A 126 77.680 -8.420 -8.627 1.00 11.25 N ATOM 304 NH2 ARG A 126 76.234 -10.086 -7.998 1.00 11.57 N ATOM 0 H ARG A 126 84.424 -8.823 -6.727 1.00 8.60 H new ATOM 0 HA ARG A 126 82.921 -10.083 -7.789 1.00 9.37 H new ATOM 0 HB2 ARG A 126 81.688 -7.680 -7.018 1.00 9.55 H new ATOM 0 HB3 ARG A 126 81.147 -7.918 -8.667 1.00 9.55 H new ATOM 0 HG2 ARG A 126 81.002 -10.166 -6.648 1.00 9.90 H new ATOM 0 HG3 ARG A 126 79.751 -8.942 -6.725 1.00 9.90 H new ATOM 0 HD2 ARG A 126 79.913 -9.558 -9.364 1.00 10.24 H new ATOM 0 HD3 ARG A 126 80.440 -11.087 -8.690 1.00 10.24 H new ATOM 0 HE ARG A 126 78.278 -11.499 -7.915 1.00 10.60 H new ATOM 0 HH11 ARG A 126 78.626 -8.103 -8.841 1.00 11.25 H new ATOM 0 HH12 ARG A 126 76.898 -7.768 -8.687 1.00 11.25 H new ATOM 0 HH21 ARG A 126 76.064 -11.054 -7.726 1.00 11.57 H new ATOM 0 HH22 ARG A 126 75.456 -9.430 -8.060 1.00 11.57 H new ATOM 318 N GLY A 127 84.336 -8.970 -10.099 1.00 9.94 N ATOM 319 CA GLY A 127 84.630 -8.971 -11.521 1.00 10.50 C ATOM 320 C GLY A 127 85.588 -7.865 -11.914 1.00 10.13 C ATOM 321 O GLY A 127 86.303 -7.980 -12.910 1.00 10.47 O ATOM 0 H GLY A 127 85.152 -8.889 -9.493 1.00 9.94 H new ATOM 0 HA2 GLY A 127 85.057 -9.934 -11.800 1.00 10.50 H new ATOM 0 HA3 GLY A 127 83.702 -8.860 -12.081 1.00 10.50 H new ATOM 325 N GLY A 128 85.605 -6.793 -11.130 1.00 9.48 N ATOM 326 CA GLY A 128 86.489 -5.677 -11.418 1.00 9.18 C ATOM 327 C GLY A 128 87.842 -5.822 -10.745 1.00 8.58 C ATOM 328 O GLY A 128 87.914 -6.153 -9.560 1.00 8.03 O ATOM 0 H GLY A 128 85.023 -6.676 -10.300 1.00 9.48 H new ATOM 0 HA2 GLY A 128 86.629 -5.597 -12.496 1.00 9.18 H new ATOM 0 HA3 GLY A 128 86.019 -4.750 -11.088 1.00 9.18 H new ATOM 332 N PRO A 129 88.945 -5.580 -11.477 1.00 8.71 N ATOM 333 CA PRO A 129 90.298 -5.694 -10.925 1.00 8.20 C ATOM 334 C PRO A 129 90.667 -4.516 -10.030 1.00 7.43 C ATOM 335 O PRO A 129 89.979 -3.495 -10.012 1.00 7.36 O ATOM 336 CB PRO A 129 91.184 -5.706 -12.169 1.00 8.64 C ATOM 337 CG PRO A 129 90.418 -4.930 -13.185 1.00 9.37 C ATOM 338 CD PRO A 129 88.961 -5.183 -12.898 1.00 9.42 C ATOM 0 HA PRO A 129 90.404 -6.576 -10.293 1.00 8.20 H new ATOM 0 HB2 PRO A 129 92.153 -5.249 -11.970 1.00 8.64 H new ATOM 0 HB3 PRO A 129 91.375 -6.724 -12.509 1.00 8.64 H new ATOM 0 HG2 PRO A 129 90.649 -3.867 -13.118 1.00 9.37 H new ATOM 0 HG3 PRO A 129 90.677 -5.249 -14.195 1.00 9.37 H new ATOM 0 HD2 PRO A 129 88.359 -4.291 -13.071 1.00 9.42 H new ATOM 0 HD3 PRO A 129 88.558 -5.969 -13.537 1.00 9.42 H new ATOM 346 N GLY A 130 91.770 -4.663 -9.304 1.00 6.90 N ATOM 347 CA GLY A 130 92.238 -3.610 -8.431 1.00 6.16 C ATOM 348 C GLY A 130 93.740 -3.490 -8.505 1.00 5.90 C ATOM 349 O GLY A 130 94.438 -4.497 -8.583 1.00 6.04 O ATOM 0 H GLY A 130 92.351 -5.502 -9.307 1.00 6.90 H new ATOM 0 HA2 GLY A 130 91.777 -2.664 -8.714 1.00 6.16 H new ATOM 0 HA3 GLY A 130 91.934 -3.818 -7.405 1.00 6.16 H new ATOM 353 N TRP A 131 94.247 -2.270 -8.513 1.00 5.60 N ATOM 354 CA TRP A 131 95.683 -2.061 -8.611 1.00 5.39 C ATOM 355 C TRP A 131 96.241 -1.432 -7.341 1.00 4.56 C ATOM 356 O TRP A 131 95.915 -0.296 -6.997 1.00 4.36 O ATOM 357 CB TRP A 131 95.992 -1.199 -9.830 1.00 5.91 C ATOM 358 CG TRP A 131 95.804 -1.931 -11.125 1.00 6.68 C ATOM 359 CD1 TRP A 131 94.716 -2.668 -11.496 1.00 7.16 C ATOM 360 CD2 TRP A 131 96.729 -2.004 -12.215 1.00 7.11 C ATOM 361 NE1 TRP A 131 94.908 -3.196 -12.750 1.00 7.84 N ATOM 362 CE2 TRP A 131 96.136 -2.801 -13.213 1.00 7.82 C ATOM 363 CE3 TRP A 131 98.002 -1.471 -12.446 1.00 7.01 C ATOM 364 CZ2 TRP A 131 96.773 -3.077 -14.421 1.00 8.39 C ATOM 365 CZ3 TRP A 131 98.631 -1.746 -13.646 1.00 7.59 C ATOM 366 CH2 TRP A 131 98.016 -2.542 -14.620 1.00 8.26 C ATOM 0 H TRP A 131 93.693 -1.416 -8.453 1.00 5.60 H new ATOM 0 HA TRP A 131 96.169 -3.030 -8.729 1.00 5.39 H new ATOM 0 HB2 TRP A 131 95.349 -0.319 -9.819 1.00 5.91 H new ATOM 0 HB3 TRP A 131 97.020 -0.843 -9.766 1.00 5.91 H new ATOM 0 HD1 TRP A 131 93.833 -2.815 -10.892 1.00 7.16 H new ATOM 0 HE1 TRP A 131 94.245 -3.785 -13.254 1.00 7.84 H new ATOM 0 HE3 TRP A 131 98.484 -0.856 -11.701 1.00 7.01 H new ATOM 0 HZ2 TRP A 131 96.302 -3.692 -15.174 1.00 8.39 H new ATOM 0 HZ3 TRP A 131 99.614 -1.340 -13.835 1.00 7.59 H new ATOM 0 HH2 TRP A 131 98.534 -2.738 -15.547 1.00 8.26 H new ATOM 377 N CYS A 132 97.086 -2.190 -6.648 1.00 4.17 N ATOM 378 CA CYS A 132 97.701 -1.730 -5.409 1.00 3.38 C ATOM 379 C CYS A 132 98.474 -0.434 -5.625 1.00 3.29 C ATOM 380 O CYS A 132 99.676 -0.451 -5.890 1.00 3.32 O ATOM 381 CB CYS A 132 98.634 -2.809 -4.862 1.00 3.20 C ATOM 382 SG CYS A 132 99.293 -2.450 -3.203 1.00 2.31 S ATOM 0 H CYS A 132 97.361 -3.132 -6.927 1.00 4.17 H new ATOM 0 HA CYS A 132 96.908 -1.534 -4.687 1.00 3.38 H new ATOM 0 HB2 CYS A 132 98.097 -3.757 -4.831 1.00 3.20 H new ATOM 0 HB3 CYS A 132 99.468 -2.938 -5.552 1.00 3.20 H new ATOM 387 N ASP A 133 97.774 0.691 -5.502 1.00 3.33 N ATOM 388 CA ASP A 133 98.388 2.005 -5.682 1.00 3.56 C ATOM 389 C ASP A 133 99.698 2.107 -4.906 1.00 3.14 C ATOM 390 O ASP A 133 100.613 2.830 -5.300 1.00 3.53 O ATOM 391 CB ASP A 133 97.425 3.105 -5.231 1.00 3.65 C ATOM 392 CG ASP A 133 96.264 3.284 -6.191 1.00 4.03 C ATOM 393 OD1 ASP A 133 96.447 3.028 -7.399 1.00 4.63 O ATOM 394 OD2 ASP A 133 95.169 3.680 -5.735 1.00 3.89 O ATOM 0 H ASP A 133 96.779 0.719 -5.278 1.00 3.33 H new ATOM 0 HA ASP A 133 98.607 2.135 -6.742 1.00 3.56 H new ATOM 0 HB2 ASP A 133 97.040 2.864 -4.240 1.00 3.65 H new ATOM 0 HB3 ASP A 133 97.968 4.046 -5.142 1.00 3.65 H new ATOM 399 N LEU A 134 99.779 1.372 -3.804 1.00 2.45 N ATOM 400 CA LEU A 134 100.973 1.365 -2.970 1.00 2.10 C ATOM 401 C LEU A 134 102.151 0.754 -3.727 1.00 2.27 C ATOM 402 O LEU A 134 103.210 1.369 -3.852 1.00 2.50 O ATOM 403 CB LEU A 134 100.690 0.586 -1.675 1.00 1.47 C ATOM 404 CG LEU A 134 101.898 -0.079 -1.003 1.00 1.30 C ATOM 405 CD1 LEU A 134 102.467 0.818 0.083 1.00 1.61 C ATOM 406 CD2 LEU A 134 101.501 -1.430 -0.429 1.00 1.35 C ATOM 0 H LEU A 134 99.028 0.770 -3.466 1.00 2.45 H new ATOM 0 HA LEU A 134 101.238 2.391 -2.713 1.00 2.10 H new ATOM 0 HB2 LEU A 134 100.233 1.268 -0.958 1.00 1.47 H new ATOM 0 HB3 LEU A 134 99.953 -0.186 -1.895 1.00 1.47 H new ATOM 0 HG LEU A 134 102.672 -0.235 -1.754 1.00 1.30 H new ATOM 0 HD11 LEU A 134 103.323 0.329 0.548 1.00 1.61 H new ATOM 0 HD12 LEU A 134 102.784 1.764 -0.356 1.00 1.61 H new ATOM 0 HD13 LEU A 134 101.703 1.006 0.837 1.00 1.61 H new ATOM 0 HD21 LEU A 134 102.367 -1.892 0.045 1.00 1.35 H new ATOM 0 HD22 LEU A 134 100.712 -1.293 0.310 1.00 1.35 H new ATOM 0 HD23 LEU A 134 101.140 -2.074 -1.231 1.00 1.35 H new ATOM 418 N CYS A 135 101.955 -0.463 -4.225 1.00 2.35 N ATOM 419 CA CYS A 135 102.995 -1.166 -4.968 1.00 2.66 C ATOM 420 C CYS A 135 102.872 -0.899 -6.464 1.00 3.37 C ATOM 421 O CYS A 135 103.741 -0.266 -7.066 1.00 3.63 O ATOM 422 CB CYS A 135 102.915 -2.673 -4.703 1.00 2.75 C ATOM 423 SG CYS A 135 102.570 -3.114 -2.967 1.00 2.27 S ATOM 0 H CYS A 135 101.083 -0.984 -4.127 1.00 2.35 H new ATOM 0 HA CYS A 135 103.961 -0.793 -4.627 1.00 2.66 H new ATOM 0 HB2 CYS A 135 102.137 -3.100 -5.335 1.00 2.75 H new ATOM 0 HB3 CYS A 135 103.857 -3.133 -5.002 1.00 2.75 H new ATOM 428 N GLY A 136 101.789 -1.388 -7.060 1.00 3.77 N ATOM 429 CA GLY A 136 101.574 -1.193 -8.483 1.00 4.51 C ATOM 430 C GLY A 136 101.075 -2.448 -9.179 1.00 5.01 C ATOM 431 O GLY A 136 100.668 -2.396 -10.341 1.00 5.65 O ATOM 0 H GLY A 136 101.057 -1.915 -6.584 1.00 3.77 H new ATOM 0 HA2 GLY A 136 100.852 -0.390 -8.630 1.00 4.51 H new ATOM 0 HA3 GLY A 136 102.507 -0.872 -8.946 1.00 4.51 H new ATOM 435 N ARG A 137 101.106 -3.576 -8.474 1.00 4.84 N ATOM 436 CA ARG A 137 100.654 -4.842 -9.040 1.00 5.43 C ATOM 437 C ARG A 137 99.136 -4.966 -8.948 1.00 5.63 C ATOM 438 O ARG A 137 98.454 -4.050 -8.490 1.00 5.30 O ATOM 439 CB ARG A 137 101.319 -6.014 -8.316 1.00 5.35 C ATOM 440 CG ARG A 137 102.813 -6.121 -8.577 1.00 5.18 C ATOM 441 CD ARG A 137 103.116 -6.193 -10.066 1.00 5.55 C ATOM 442 NE ARG A 137 103.507 -4.893 -10.607 1.00 5.46 N ATOM 443 CZ ARG A 137 104.062 -4.726 -11.806 1.00 5.99 C ATOM 444 NH1 ARG A 137 104.293 -5.771 -12.590 1.00 6.61 N ATOM 445 NH2 ARG A 137 104.387 -3.508 -12.221 1.00 6.15 N ATOM 0 H ARG A 137 101.439 -3.638 -7.512 1.00 4.84 H new ATOM 0 HA ARG A 137 100.940 -4.865 -10.092 1.00 5.43 H new ATOM 0 HB2 ARG A 137 101.152 -5.910 -7.244 1.00 5.35 H new ATOM 0 HB3 ARG A 137 100.837 -6.942 -8.625 1.00 5.35 H new ATOM 0 HG2 ARG A 137 103.322 -5.260 -8.143 1.00 5.18 H new ATOM 0 HG3 ARG A 137 103.207 -7.008 -8.081 1.00 5.18 H new ATOM 0 HD2 ARG A 137 103.915 -6.913 -10.239 1.00 5.55 H new ATOM 0 HD3 ARG A 137 102.237 -6.558 -10.598 1.00 5.55 H new ATOM 0 HE ARG A 137 103.345 -4.065 -10.033 1.00 5.46 H new ATOM 0 HH11 ARG A 137 104.045 -6.709 -12.276 1.00 6.61 H new ATOM 0 HH12 ARG A 137 104.718 -5.636 -13.507 1.00 6.61 H new ATOM 0 HH21 ARG A 137 104.212 -2.701 -11.622 1.00 6.15 H new ATOM 0 HH22 ARG A 137 104.812 -3.379 -13.139 1.00 6.15 H new ATOM 459 N GLU A 138 98.613 -6.107 -9.388 1.00 6.20 N ATOM 460 CA GLU A 138 97.176 -6.351 -9.356 1.00 6.47 C ATOM 461 C GLU A 138 96.748 -6.921 -8.007 1.00 6.14 C ATOM 462 O GLU A 138 97.384 -7.834 -7.478 1.00 6.19 O ATOM 463 CB GLU A 138 96.775 -7.311 -10.478 1.00 7.34 C ATOM 464 CG GLU A 138 97.599 -8.586 -10.511 1.00 8.03 C ATOM 465 CD GLU A 138 96.770 -9.807 -10.859 1.00 8.64 C ATOM 466 OE1 GLU A 138 95.758 -10.052 -10.170 1.00 8.93 O ATOM 467 OE2 GLU A 138 97.133 -10.516 -11.822 1.00 9.02 O ATOM 0 H GLU A 138 99.163 -6.876 -9.770 1.00 6.20 H new ATOM 0 HA GLU A 138 96.669 -5.397 -9.504 1.00 6.47 H new ATOM 0 HB2 GLU A 138 95.723 -7.571 -10.363 1.00 7.34 H new ATOM 0 HB3 GLU A 138 96.874 -6.799 -11.435 1.00 7.34 H new ATOM 0 HG2 GLU A 138 98.402 -8.477 -11.240 1.00 8.03 H new ATOM 0 HG3 GLU A 138 98.069 -8.736 -9.539 1.00 8.03 H new ATOM 474 N VAL A 139 95.668 -6.379 -7.457 1.00 5.87 N ATOM 475 CA VAL A 139 95.152 -6.831 -6.173 1.00 5.60 C ATOM 476 C VAL A 139 94.031 -7.851 -6.357 1.00 6.26 C ATOM 477 O VAL A 139 93.003 -7.558 -6.967 1.00 6.56 O ATOM 478 CB VAL A 139 94.649 -5.643 -5.319 1.00 4.89 C ATOM 479 CG1 VAL A 139 95.708 -4.552 -5.248 1.00 4.29 C ATOM 480 CG2 VAL A 139 93.342 -5.089 -5.868 1.00 5.14 C ATOM 0 H VAL A 139 95.132 -5.623 -7.883 1.00 5.87 H new ATOM 0 HA VAL A 139 95.977 -7.311 -5.646 1.00 5.60 H new ATOM 0 HB VAL A 139 94.460 -6.008 -4.309 1.00 4.89 H new ATOM 0 HG11 VAL A 139 95.337 -3.724 -4.644 1.00 4.29 H new ATOM 0 HG12 VAL A 139 96.615 -4.954 -4.796 1.00 4.29 H new ATOM 0 HG13 VAL A 139 95.931 -4.196 -6.254 1.00 4.29 H new ATOM 0 HG21 VAL A 139 93.012 -4.255 -5.249 1.00 5.14 H new ATOM 0 HG22 VAL A 139 93.494 -4.743 -6.891 1.00 5.14 H new ATOM 0 HG23 VAL A 139 92.583 -5.871 -5.859 1.00 5.14 H new ATOM 490 N LEU A 140 94.243 -9.052 -5.832 1.00 6.55 N ATOM 491 CA LEU A 140 93.258 -10.122 -5.943 1.00 7.22 C ATOM 492 C LEU A 140 92.138 -9.949 -4.921 1.00 6.99 C ATOM 493 O LEU A 140 90.968 -10.185 -5.224 1.00 7.24 O ATOM 494 CB LEU A 140 93.930 -11.484 -5.756 1.00 7.76 C ATOM 495 CG LEU A 140 94.743 -11.634 -4.466 1.00 8.26 C ATOM 496 CD1 LEU A 140 93.998 -12.499 -3.461 1.00 8.62 C ATOM 497 CD2 LEU A 140 96.115 -12.223 -4.764 1.00 8.78 C ATOM 0 H LEU A 140 95.089 -9.310 -5.324 1.00 6.55 H new ATOM 0 HA LEU A 140 92.821 -10.072 -6.940 1.00 7.22 H new ATOM 0 HB2 LEU A 140 93.162 -12.257 -5.775 1.00 7.76 H new ATOM 0 HB3 LEU A 140 94.588 -11.667 -6.606 1.00 7.76 H new ATOM 0 HG LEU A 140 94.881 -10.644 -4.031 1.00 8.26 H new ATOM 0 HD11 LEU A 140 94.592 -12.594 -2.552 1.00 8.62 H new ATOM 0 HD12 LEU A 140 93.040 -12.037 -3.223 1.00 8.62 H new ATOM 0 HD13 LEU A 140 93.828 -13.488 -3.887 1.00 8.62 H new ATOM 0 HD21 LEU A 140 96.678 -12.322 -3.836 1.00 8.78 H new ATOM 0 HD22 LEU A 140 95.998 -13.204 -5.224 1.00 8.78 H new ATOM 0 HD23 LEU A 140 96.653 -11.565 -5.446 1.00 8.78 H new ATOM 509 N ARG A 141 92.503 -9.542 -3.710 1.00 6.56 N ATOM 510 CA ARG A 141 91.526 -9.344 -2.646 1.00 6.36 C ATOM 511 C ARG A 141 90.985 -7.917 -2.659 1.00 5.74 C ATOM 512 O ARG A 141 91.532 -7.039 -3.328 1.00 5.48 O ATOM 513 CB ARG A 141 92.156 -9.652 -1.285 1.00 6.20 C ATOM 514 CG ARG A 141 91.655 -10.947 -0.664 1.00 6.87 C ATOM 515 CD ARG A 141 90.482 -10.697 0.270 1.00 7.11 C ATOM 516 NE ARG A 141 90.920 -10.282 1.601 1.00 7.57 N ATOM 517 CZ ARG A 141 90.147 -9.630 2.466 1.00 8.00 C ATOM 518 NH1 ARG A 141 88.897 -9.316 2.147 1.00 8.08 N ATOM 519 NH2 ARG A 141 90.626 -9.290 3.657 1.00 8.60 N ATOM 0 H ARG A 141 93.467 -9.343 -3.441 1.00 6.56 H new ATOM 0 HA ARG A 141 90.695 -10.028 -2.818 1.00 6.36 H new ATOM 0 HB2 ARG A 141 93.239 -9.708 -1.399 1.00 6.20 H new ATOM 0 HB3 ARG A 141 91.949 -8.827 -0.603 1.00 6.20 H new ATOM 0 HG2 ARG A 141 91.354 -11.637 -1.452 1.00 6.87 H new ATOM 0 HG3 ARG A 141 92.465 -11.425 -0.113 1.00 6.87 H new ATOM 0 HD2 ARG A 141 89.837 -9.928 -0.156 1.00 7.11 H new ATOM 0 HD3 ARG A 141 89.884 -11.605 0.352 1.00 7.11 H new ATOM 0 HE ARG A 141 91.874 -10.505 1.884 1.00 7.57 H new ATOM 0 HH11 ARG A 141 88.523 -9.575 1.234 1.00 8.08 H new ATOM 0 HH12 ARG A 141 88.310 -8.816 2.815 1.00 8.08 H new ATOM 0 HH21 ARG A 141 91.585 -9.529 3.908 1.00 8.60 H new ATOM 0 HH22 ARG A 141 90.034 -8.790 4.321 1.00 8.60 H new ATOM 533 N GLN A 142 89.905 -7.692 -1.916 1.00 5.55 N ATOM 534 CA GLN A 142 89.288 -6.376 -1.838 1.00 4.97 C ATOM 535 C GLN A 142 90.276 -5.347 -1.300 1.00 4.20 C ATOM 536 O GLN A 142 90.465 -5.224 -0.090 1.00 3.88 O ATOM 537 CB GLN A 142 88.044 -6.422 -0.946 1.00 4.98 C ATOM 538 CG GLN A 142 86.875 -5.615 -1.489 1.00 5.49 C ATOM 539 CD GLN A 142 85.588 -6.417 -1.543 1.00 6.00 C ATOM 540 OE1 GLN A 142 84.793 -6.403 -0.602 1.00 6.30 O ATOM 541 NE2 GLN A 142 85.375 -7.120 -2.649 1.00 6.42 N ATOM 0 H GLN A 142 89.439 -8.408 -1.358 1.00 5.55 H new ATOM 0 HA GLN A 142 88.992 -6.080 -2.844 1.00 4.97 H new ATOM 0 HB2 GLN A 142 87.733 -7.460 -0.824 1.00 4.98 H new ATOM 0 HB3 GLN A 142 88.303 -6.048 0.045 1.00 4.98 H new ATOM 0 HG2 GLN A 142 86.724 -4.735 -0.864 1.00 5.49 H new ATOM 0 HG3 GLN A 142 87.118 -5.258 -2.490 1.00 5.49 H new ATOM 0 HE21 GLN A 142 86.060 -7.103 -3.404 1.00 6.42 H new ATOM 0 HE22 GLN A 142 84.526 -7.677 -2.744 1.00 6.42 H new ATOM 550 N ALA A 143 90.909 -4.615 -2.209 1.00 4.01 N ATOM 551 CA ALA A 143 91.883 -3.602 -1.832 1.00 3.31 C ATOM 552 C ALA A 143 91.233 -2.481 -1.027 1.00 2.66 C ATOM 553 O ALA A 143 90.110 -2.066 -1.313 1.00 2.78 O ATOM 554 CB ALA A 143 92.563 -3.041 -3.070 1.00 3.47 C ATOM 0 H ALA A 143 90.764 -4.706 -3.215 1.00 4.01 H new ATOM 0 HA ALA A 143 92.634 -4.075 -1.199 1.00 3.31 H new ATOM 0 HB1 ALA A 143 93.289 -2.284 -2.775 1.00 3.47 H new ATOM 0 HB2 ALA A 143 93.072 -3.845 -3.601 1.00 3.47 H new ATOM 0 HB3 ALA A 143 91.815 -2.591 -3.723 1.00 3.47 H new ATOM 560 N LEU A 144 91.954 -1.994 -0.022 1.00 2.03 N ATOM 561 CA LEU A 144 91.460 -0.918 0.826 1.00 1.43 C ATOM 562 C LEU A 144 91.952 0.433 0.317 1.00 1.04 C ATOM 563 O LEU A 144 93.154 0.696 0.297 1.00 0.81 O ATOM 564 CB LEU A 144 91.919 -1.134 2.269 1.00 1.45 C ATOM 565 CG LEU A 144 91.059 -2.100 3.085 1.00 2.18 C ATOM 566 CD1 LEU A 144 91.743 -2.436 4.401 1.00 2.76 C ATOM 567 CD2 LEU A 144 89.681 -1.506 3.333 1.00 2.25 C ATOM 0 H LEU A 144 92.885 -2.330 0.224 1.00 2.03 H new ATOM 0 HA LEU A 144 90.370 -0.924 0.795 1.00 1.43 H new ATOM 0 HB2 LEU A 144 92.943 -1.506 2.256 1.00 1.45 H new ATOM 0 HB3 LEU A 144 91.936 -0.170 2.777 1.00 1.45 H new ATOM 0 HG LEU A 144 90.937 -3.022 2.516 1.00 2.18 H new ATOM 0 HD11 LEU A 144 91.118 -3.124 4.970 1.00 2.76 H new ATOM 0 HD12 LEU A 144 92.708 -2.902 4.201 1.00 2.76 H new ATOM 0 HD13 LEU A 144 91.894 -1.523 4.976 1.00 2.76 H new ATOM 0 HD21 LEU A 144 89.082 -2.207 3.915 1.00 2.25 H new ATOM 0 HD22 LEU A 144 89.782 -0.570 3.883 1.00 2.25 H new ATOM 0 HD23 LEU A 144 89.190 -1.315 2.379 1.00 2.25 H new ATOM 579 N ARG A 145 91.020 1.279 -0.109 1.00 1.33 N ATOM 580 CA ARG A 145 91.375 2.592 -0.639 1.00 1.75 C ATOM 581 C ARG A 145 91.068 3.704 0.355 1.00 1.84 C ATOM 582 O ARG A 145 89.927 4.150 0.469 1.00 2.07 O ATOM 583 CB ARG A 145 90.628 2.850 -1.949 1.00 2.50 C ATOM 584 CG ARG A 145 91.078 4.115 -2.663 1.00 3.14 C ATOM 585 CD ARG A 145 90.450 4.228 -4.042 1.00 3.82 C ATOM 586 NE ARG A 145 90.051 5.600 -4.350 1.00 4.39 N ATOM 587 CZ ARG A 145 89.186 5.922 -5.310 1.00 4.96 C ATOM 588 NH1 ARG A 145 88.627 4.975 -6.054 1.00 5.14 N ATOM 589 NH2 ARG A 145 88.879 7.193 -5.524 1.00 5.67 N ATOM 0 H ARG A 145 90.019 1.082 -0.098 1.00 1.33 H new ATOM 0 HA ARG A 145 92.449 2.593 -0.823 1.00 1.75 H new ATOM 0 HB2 ARG A 145 90.769 1.997 -2.613 1.00 2.50 H new ATOM 0 HB3 ARG A 145 89.560 2.919 -1.742 1.00 2.50 H new ATOM 0 HG2 ARG A 145 90.808 4.987 -2.066 1.00 3.14 H new ATOM 0 HG3 ARG A 145 92.164 4.116 -2.755 1.00 3.14 H new ATOM 0 HD2 ARG A 145 91.159 3.879 -4.793 1.00 3.82 H new ATOM 0 HD3 ARG A 145 89.579 3.575 -4.098 1.00 3.82 H new ATOM 0 HE ARG A 145 90.459 6.354 -3.798 1.00 4.39 H new ATOM 0 HH11 ARG A 145 88.859 3.995 -5.892 1.00 5.14 H new ATOM 0 HH12 ARG A 145 87.965 5.227 -6.788 1.00 5.14 H new ATOM 0 HH21 ARG A 145 89.305 7.924 -4.954 1.00 5.67 H new ATOM 0 HH22 ARG A 145 88.217 7.441 -6.259 1.00 5.67 H new ATOM 603 N CYS A 146 92.096 4.161 1.061 1.00 1.92 N ATOM 604 CA CYS A 146 91.925 5.237 2.030 1.00 2.46 C ATOM 605 C CYS A 146 91.941 6.586 1.320 1.00 3.20 C ATOM 606 O CYS A 146 92.949 7.293 1.326 1.00 3.63 O ATOM 607 CB CYS A 146 93.028 5.180 3.094 1.00 2.60 C ATOM 608 SG CYS A 146 93.084 6.629 4.200 1.00 3.57 S ATOM 0 H CYS A 146 93.049 3.807 0.982 1.00 1.92 H new ATOM 0 HA CYS A 146 90.962 5.112 2.526 1.00 2.46 H new ATOM 0 HB2 CYS A 146 92.888 4.283 3.697 1.00 2.60 H new ATOM 0 HB3 CYS A 146 93.992 5.081 2.595 1.00 2.60 H new ATOM 613 N ALA A 147 90.814 6.934 0.706 1.00 3.42 N ATOM 614 CA ALA A 147 90.688 8.197 -0.016 1.00 4.19 C ATOM 615 C ALA A 147 90.965 9.400 0.884 1.00 4.75 C ATOM 616 O ALA A 147 91.097 10.525 0.400 1.00 5.41 O ATOM 617 CB ALA A 147 89.302 8.311 -0.634 1.00 4.35 C ATOM 0 H ALA A 147 89.973 6.358 0.694 1.00 3.42 H new ATOM 0 HA ALA A 147 91.438 8.200 -0.806 1.00 4.19 H new ATOM 0 HB1 ALA A 147 89.219 9.257 -1.170 1.00 4.35 H new ATOM 0 HB2 ALA A 147 89.144 7.486 -1.328 1.00 4.35 H new ATOM 0 HB3 ALA A 147 88.549 8.273 0.153 1.00 4.35 H new ATOM 623 N ASN A 148 91.053 9.167 2.191 1.00 4.58 N ATOM 624 CA ASN A 148 91.314 10.242 3.138 1.00 5.23 C ATOM 625 C ASN A 148 92.733 10.788 2.983 1.00 5.62 C ATOM 626 O ASN A 148 93.019 11.909 3.404 1.00 6.29 O ATOM 627 CB ASN A 148 91.092 9.752 4.573 1.00 5.11 C ATOM 628 CG ASN A 148 89.950 10.475 5.261 1.00 5.34 C ATOM 629 OD1 ASN A 148 89.793 11.687 5.117 1.00 5.63 O ATOM 630 ND2 ASN A 148 89.145 9.732 6.010 1.00 5.41 N ATOM 0 H ASN A 148 90.947 8.246 2.615 1.00 4.58 H new ATOM 0 HA ASN A 148 90.616 11.051 2.925 1.00 5.23 H new ATOM 0 HB2 ASN A 148 90.886 8.682 4.561 1.00 5.11 H new ATOM 0 HB3 ASN A 148 92.007 9.894 5.148 1.00 5.11 H new ATOM 0 HD21 ASN A 148 88.358 10.163 6.495 1.00 5.41 H new ATOM 0 HD22 ASN A 148 89.313 8.730 6.101 1.00 5.41 H new ATOM 637 N CYS A 149 93.622 10.003 2.378 1.00 5.21 N ATOM 638 CA CYS A 149 95.000 10.443 2.183 1.00 5.54 C ATOM 639 C CYS A 149 95.796 9.438 1.356 1.00 5.02 C ATOM 640 O CYS A 149 96.490 9.810 0.412 1.00 5.26 O ATOM 641 CB CYS A 149 95.683 10.660 3.535 1.00 5.86 C ATOM 642 SG CYS A 149 95.381 9.331 4.745 1.00 5.35 S ATOM 0 H CYS A 149 93.416 9.071 2.019 1.00 5.21 H new ATOM 0 HA CYS A 149 94.972 11.385 1.636 1.00 5.54 H new ATOM 0 HB2 CYS A 149 96.757 10.754 3.376 1.00 5.86 H new ATOM 0 HB3 CYS A 149 95.339 11.605 3.956 1.00 5.86 H new ATOM 647 N LYS A 150 95.697 8.164 1.722 1.00 4.33 N ATOM 648 CA LYS A 150 96.419 7.112 1.015 1.00 3.79 C ATOM 649 C LYS A 150 95.697 6.724 -0.281 1.00 3.60 C ATOM 650 O LYS A 150 95.162 7.584 -0.980 1.00 4.14 O ATOM 651 CB LYS A 150 96.605 5.894 1.927 1.00 3.18 C ATOM 652 CG LYS A 150 96.874 6.250 3.381 1.00 3.63 C ATOM 653 CD LYS A 150 97.932 5.344 3.991 1.00 3.46 C ATOM 654 CE LYS A 150 99.313 5.643 3.431 1.00 3.65 C ATOM 655 NZ LYS A 150 100.149 4.414 3.334 1.00 3.87 N ATOM 0 H LYS A 150 95.126 7.836 2.501 1.00 4.33 H new ATOM 0 HA LYS A 150 97.403 7.492 0.742 1.00 3.79 H new ATOM 0 HB2 LYS A 150 95.711 5.273 1.874 1.00 3.18 H new ATOM 0 HB3 LYS A 150 97.433 5.293 1.551 1.00 3.18 H new ATOM 0 HG2 LYS A 150 97.200 7.288 3.448 1.00 3.63 H new ATOM 0 HG3 LYS A 150 95.950 6.169 3.953 1.00 3.63 H new ATOM 0 HD2 LYS A 150 97.942 5.472 5.073 1.00 3.46 H new ATOM 0 HD3 LYS A 150 97.677 4.302 3.796 1.00 3.46 H new ATOM 0 HE2 LYS A 150 99.215 6.095 2.444 1.00 3.65 H new ATOM 0 HE3 LYS A 150 99.813 6.373 4.067 1.00 3.65 H new ATOM 0 HZ1 LYS A 150 100.924 4.574 2.659 1.00 3.87 H new ATOM 0 HZ2 LYS A 150 100.545 4.189 4.269 1.00 3.87 H new ATOM 0 HZ3 LYS A 150 99.563 3.620 3.006 1.00 3.87 H new ATOM 669 N PHE A 151 95.692 5.431 -0.601 1.00 2.95 N ATOM 670 CA PHE A 151 95.047 4.939 -1.817 1.00 2.98 C ATOM 671 C PHE A 151 94.623 3.480 -1.652 1.00 2.28 C ATOM 672 O PHE A 151 94.605 2.956 -0.536 1.00 1.66 O ATOM 673 CB PHE A 151 95.995 5.086 -3.015 1.00 3.44 C ATOM 674 CG PHE A 151 97.451 4.962 -2.661 1.00 3.26 C ATOM 675 CD1 PHE A 151 97.882 3.989 -1.774 1.00 3.47 C ATOM 676 CD2 PHE A 151 98.388 5.819 -3.217 1.00 3.36 C ATOM 677 CE1 PHE A 151 99.220 3.872 -1.447 1.00 3.41 C ATOM 678 CE2 PHE A 151 99.726 5.707 -2.895 1.00 3.26 C ATOM 679 CZ PHE A 151 100.144 4.733 -2.008 1.00 3.10 C ATOM 0 H PHE A 151 96.128 4.704 -0.034 1.00 2.95 H new ATOM 0 HA PHE A 151 94.153 5.536 -1.999 1.00 2.98 H new ATOM 0 HB2 PHE A 151 95.746 4.328 -3.757 1.00 3.44 H new ATOM 0 HB3 PHE A 151 95.826 6.056 -3.482 1.00 3.44 H new ATOM 0 HD1 PHE A 151 97.164 3.314 -1.333 1.00 3.47 H new ATOM 0 HD2 PHE A 151 98.068 6.583 -3.910 1.00 3.36 H new ATOM 0 HE1 PHE A 151 99.543 3.109 -0.754 1.00 3.41 H new ATOM 0 HE2 PHE A 151 100.446 6.380 -3.336 1.00 3.26 H new ATOM 0 HZ PHE A 151 101.190 4.645 -1.754 1.00 3.10 H new ATOM 689 N THR A 152 94.276 2.826 -2.761 1.00 2.56 N ATOM 690 CA THR A 152 93.853 1.428 -2.725 1.00 2.30 C ATOM 691 C THR A 152 95.054 0.495 -2.614 1.00 2.04 C ATOM 692 O THR A 152 95.724 0.206 -3.606 1.00 2.50 O ATOM 693 CB THR A 152 93.039 1.087 -3.974 1.00 3.04 C ATOM 694 OG1 THR A 152 92.645 -0.274 -3.959 1.00 3.69 O ATOM 695 CG2 THR A 152 93.790 1.332 -5.265 1.00 3.48 C ATOM 0 H THR A 152 94.280 3.242 -3.692 1.00 2.56 H new ATOM 0 HA THR A 152 93.228 1.288 -1.843 1.00 2.30 H new ATOM 0 HB THR A 152 92.174 1.750 -3.944 1.00 3.04 H new ATOM 0 HG1 THR A 152 92.124 -0.473 -4.765 1.00 3.69 H new ATOM 0 HG21 THR A 152 93.155 1.070 -6.111 1.00 3.48 H new ATOM 0 HG22 THR A 152 94.066 2.384 -5.331 1.00 3.48 H new ATOM 0 HG23 THR A 152 94.691 0.719 -5.284 1.00 3.48 H new ATOM 703 N CYS A 153 95.325 0.032 -1.399 1.00 1.38 N ATOM 704 CA CYS A 153 96.452 -0.859 -1.152 1.00 1.29 C ATOM 705 C CYS A 153 95.993 -2.308 -1.021 1.00 1.85 C ATOM 706 O CYS A 153 94.805 -2.582 -0.858 1.00 2.08 O ATOM 707 CB CYS A 153 97.185 -0.435 0.121 1.00 0.64 C ATOM 708 SG CYS A 153 96.195 -0.578 1.626 1.00 1.36 S ATOM 0 H CYS A 153 94.778 0.260 -0.568 1.00 1.38 H new ATOM 0 HA CYS A 153 97.128 -0.789 -2.004 1.00 1.29 H new ATOM 0 HB2 CYS A 153 98.082 -1.044 0.230 1.00 0.64 H new ATOM 0 HB3 CYS A 153 97.513 0.599 0.011 1.00 0.64 H new ATOM 0 HG CYS A 153 94.988 -0.155 1.393 1.00 1.36 H new ATOM 714 N HIS A 154 96.948 -3.230 -1.079 1.00 2.20 N ATOM 715 CA HIS A 154 96.649 -4.651 -0.950 1.00 2.94 C ATOM 716 C HIS A 154 96.096 -4.948 0.439 1.00 3.04 C ATOM 717 O HIS A 154 96.500 -4.325 1.422 1.00 2.70 O ATOM 718 CB HIS A 154 97.909 -5.489 -1.189 1.00 3.32 C ATOM 719 CG HIS A 154 98.159 -5.832 -2.625 1.00 3.70 C ATOM 720 ND1 HIS A 154 99.319 -5.456 -3.254 1.00 3.54 N ATOM 721 CD2 HIS A 154 97.386 -6.523 -3.498 1.00 4.36 C ATOM 722 CE1 HIS A 154 99.232 -5.924 -4.485 1.00 4.13 C ATOM 723 NE2 HIS A 154 98.077 -6.578 -4.682 1.00 4.64 N ATOM 0 H HIS A 154 97.936 -3.018 -1.215 1.00 2.20 H new ATOM 0 HA HIS A 154 95.902 -4.913 -1.699 1.00 2.94 H new ATOM 0 HB2 HIS A 154 98.771 -4.946 -0.802 1.00 3.32 H new ATOM 0 HB3 HIS A 154 97.831 -6.413 -0.615 1.00 3.32 H new ATOM 0 HD2 HIS A 154 96.413 -6.948 -3.300 1.00 4.36 H new ATOM 0 HE1 HIS A 154 99.995 -5.797 -5.239 1.00 4.13 H new ATOM 0 HE2 HIS A 154 97.772 -7.029 -5.545 1.00 4.64 H new ATOM 731 N SER A 155 95.173 -5.899 0.519 1.00 3.67 N ATOM 732 CA SER A 155 94.572 -6.270 1.795 1.00 3.98 C ATOM 733 C SER A 155 95.641 -6.504 2.861 1.00 4.20 C ATOM 734 O SER A 155 95.618 -5.885 3.924 1.00 4.08 O ATOM 735 CB SER A 155 93.715 -7.529 1.629 1.00 4.76 C ATOM 736 OG SER A 155 92.480 -7.398 2.312 1.00 5.02 O ATOM 0 H SER A 155 94.825 -6.426 -0.282 1.00 3.67 H new ATOM 0 HA SER A 155 93.939 -5.445 2.122 1.00 3.98 H new ATOM 0 HB2 SER A 155 93.531 -7.711 0.570 1.00 4.76 H new ATOM 0 HB3 SER A 155 94.256 -8.394 2.012 1.00 4.76 H new ATOM 0 HG SER A 155 91.742 -7.477 1.672 1.00 5.02 H new ATOM 742 N GLU A 156 96.577 -7.400 2.564 1.00 4.69 N ATOM 743 CA GLU A 156 97.655 -7.720 3.495 1.00 5.06 C ATOM 744 C GLU A 156 98.605 -6.538 3.672 1.00 4.46 C ATOM 745 O GLU A 156 99.240 -6.394 4.716 1.00 4.76 O ATOM 746 CB GLU A 156 98.430 -8.943 3.007 1.00 5.69 C ATOM 747 CG GLU A 156 97.654 -10.244 3.133 1.00 6.28 C ATOM 748 CD GLU A 156 98.412 -11.431 2.570 1.00 6.92 C ATOM 749 OE1 GLU A 156 99.653 -11.464 2.709 1.00 7.29 O ATOM 750 OE2 GLU A 156 97.765 -12.328 1.990 1.00 7.31 O ATOM 0 H GLU A 156 96.611 -7.918 1.686 1.00 4.69 H new ATOM 0 HA GLU A 156 97.205 -7.942 4.463 1.00 5.06 H new ATOM 0 HB2 GLU A 156 98.707 -8.795 1.963 1.00 5.69 H new ATOM 0 HB3 GLU A 156 99.357 -9.026 3.575 1.00 5.69 H new ATOM 0 HG2 GLU A 156 97.427 -10.427 4.183 1.00 6.28 H new ATOM 0 HG3 GLU A 156 96.701 -10.146 2.613 1.00 6.28 H new ATOM 757 N CYS A 157 98.702 -5.695 2.647 1.00 3.72 N ATOM 758 CA CYS A 157 99.583 -4.532 2.702 1.00 3.15 C ATOM 759 C CYS A 157 99.087 -3.515 3.725 1.00 3.01 C ATOM 760 O CYS A 157 99.861 -2.696 4.221 1.00 3.02 O ATOM 761 CB CYS A 157 99.688 -3.873 1.325 1.00 2.51 C ATOM 762 SG CYS A 157 101.073 -4.488 0.311 1.00 2.62 S ATOM 0 H CYS A 157 98.185 -5.794 1.773 1.00 3.72 H new ATOM 0 HA CYS A 157 100.570 -4.877 3.008 1.00 3.15 H new ATOM 0 HB2 CYS A 157 98.756 -4.035 0.784 1.00 2.51 H new ATOM 0 HB3 CYS A 157 99.798 -2.796 1.456 1.00 2.51 H new ATOM 767 N ARG A 158 97.795 -3.570 4.042 1.00 3.04 N ATOM 768 CA ARG A 158 97.206 -2.649 5.010 1.00 3.06 C ATOM 769 C ARG A 158 98.048 -2.579 6.281 1.00 3.76 C ATOM 770 O ARG A 158 98.417 -1.495 6.735 1.00 3.88 O ATOM 771 CB ARG A 158 95.779 -3.079 5.352 1.00 3.18 C ATOM 772 CG ARG A 158 94.829 -1.914 5.572 1.00 3.57 C ATOM 773 CD ARG A 158 93.978 -2.111 6.818 1.00 4.14 C ATOM 774 NE ARG A 158 94.790 -2.447 7.985 1.00 4.64 N ATOM 775 CZ ARG A 158 95.536 -1.565 8.649 1.00 5.27 C ATOM 776 NH1 ARG A 158 95.572 -0.295 8.265 1.00 5.53 N ATOM 777 NH2 ARG A 158 96.243 -1.955 9.701 1.00 5.95 N ATOM 0 H ARG A 158 97.138 -4.241 3.644 1.00 3.04 H new ATOM 0 HA ARG A 158 97.181 -1.657 4.559 1.00 3.06 H new ATOM 0 HB2 ARG A 158 95.394 -3.704 4.546 1.00 3.18 H new ATOM 0 HB3 ARG A 158 95.800 -3.695 6.251 1.00 3.18 H new ATOM 0 HG2 ARG A 158 95.401 -0.990 5.664 1.00 3.57 H new ATOM 0 HG3 ARG A 158 94.181 -1.803 4.702 1.00 3.57 H new ATOM 0 HD2 ARG A 158 93.413 -1.201 7.019 1.00 4.14 H new ATOM 0 HD3 ARG A 158 93.252 -2.905 6.640 1.00 4.14 H new ATOM 0 HE ARG A 158 94.786 -3.414 8.311 1.00 4.64 H new ATOM 0 HH11 ARG A 158 95.027 0.010 7.458 1.00 5.53 H new ATOM 0 HH12 ARG A 158 96.145 0.376 8.777 1.00 5.53 H new ATOM 0 HH21 ARG A 158 96.215 -2.929 10.001 1.00 5.95 H new ATOM 0 HH22 ARG A 158 96.814 -1.281 10.210 1.00 5.95 H new ATOM 791 N SER A 159 98.350 -3.740 6.849 1.00 4.35 N ATOM 792 CA SER A 159 99.150 -3.814 8.065 1.00 5.07 C ATOM 793 C SER A 159 100.569 -3.306 7.819 1.00 5.04 C ATOM 794 O SER A 159 101.226 -2.804 8.731 1.00 5.56 O ATOM 795 CB SER A 159 99.195 -5.251 8.585 1.00 5.71 C ATOM 796 OG SER A 159 98.034 -5.558 9.336 1.00 6.02 O ATOM 0 H SER A 159 98.052 -4.645 6.486 1.00 4.35 H new ATOM 0 HA SER A 159 98.681 -3.177 8.815 1.00 5.07 H new ATOM 0 HB2 SER A 159 99.283 -5.942 7.746 1.00 5.71 H new ATOM 0 HB3 SER A 159 100.080 -5.389 9.206 1.00 5.71 H new ATOM 0 HG SER A 159 98.086 -6.483 9.656 1.00 6.02 H new ATOM 802 N LEU A 160 101.036 -3.443 6.583 1.00 4.50 N ATOM 803 CA LEU A 160 102.378 -3.000 6.221 1.00 4.49 C ATOM 804 C LEU A 160 102.476 -1.476 6.232 1.00 4.25 C ATOM 805 O LEU A 160 103.552 -0.918 6.457 1.00 4.39 O ATOM 806 CB LEU A 160 102.761 -3.537 4.839 1.00 4.13 C ATOM 807 CG LEU A 160 103.593 -4.822 4.853 1.00 4.38 C ATOM 808 CD1 LEU A 160 102.710 -6.025 5.148 1.00 4.84 C ATOM 809 CD2 LEU A 160 104.316 -5.001 3.528 1.00 4.59 C ATOM 0 H LEU A 160 100.506 -3.857 5.816 1.00 4.50 H new ATOM 0 HA LEU A 160 103.072 -3.394 6.963 1.00 4.49 H new ATOM 0 HB2 LEU A 160 101.849 -3.719 4.271 1.00 4.13 H new ATOM 0 HB3 LEU A 160 103.319 -2.766 4.308 1.00 4.13 H new ATOM 0 HG LEU A 160 104.339 -4.742 5.644 1.00 4.38 H new ATOM 0 HD11 LEU A 160 103.318 -6.930 5.154 1.00 4.84 H new ATOM 0 HD12 LEU A 160 102.237 -5.899 6.122 1.00 4.84 H new ATOM 0 HD13 LEU A 160 101.942 -6.109 4.380 1.00 4.84 H new ATOM 0 HD21 LEU A 160 104.903 -5.919 3.555 1.00 4.59 H new ATOM 0 HD22 LEU A 160 103.586 -5.060 2.720 1.00 4.59 H new ATOM 0 HD23 LEU A 160 104.978 -4.152 3.357 1.00 4.59 H new ATOM 821 N ILE A 161 101.354 -0.808 5.990 1.00 4.04 N ATOM 822 CA ILE A 161 101.324 0.651 5.974 1.00 4.02 C ATOM 823 C ILE A 161 100.590 1.202 7.193 1.00 4.66 C ATOM 824 O ILE A 161 99.362 1.236 7.229 1.00 4.65 O ATOM 825 CB ILE A 161 100.652 1.191 4.695 1.00 3.40 C ATOM 826 CG1 ILE A 161 99.366 0.418 4.395 1.00 2.89 C ATOM 827 CG2 ILE A 161 101.613 1.110 3.519 1.00 3.55 C ATOM 828 CD1 ILE A 161 98.386 1.187 3.537 1.00 2.37 C ATOM 0 H ILE A 161 100.455 -1.251 5.803 1.00 4.04 H new ATOM 0 HA ILE A 161 102.361 0.985 5.996 1.00 4.02 H new ATOM 0 HB ILE A 161 100.391 2.237 4.856 1.00 3.40 H new ATOM 0 HG12 ILE A 161 99.621 -0.515 3.893 1.00 2.89 H new ATOM 0 HG13 ILE A 161 98.883 0.153 5.336 1.00 2.89 H new ATOM 0 HG21 ILE A 161 101.125 1.494 2.623 1.00 3.55 H new ATOM 0 HG22 ILE A 161 102.501 1.705 3.733 1.00 3.55 H new ATOM 0 HG23 ILE A 161 101.903 0.072 3.357 1.00 3.55 H new ATOM 0 HD11 ILE A 161 97.498 0.579 3.364 1.00 2.37 H new ATOM 0 HD12 ILE A 161 98.102 2.108 4.046 1.00 2.37 H new ATOM 0 HD13 ILE A 161 98.851 1.429 2.581 1.00 2.37 H new ATOM 840 N GLN A 162 101.356 1.633 8.191 1.00 5.30 N ATOM 841 CA GLN A 162 100.781 2.184 9.412 1.00 6.01 C ATOM 842 C GLN A 162 100.888 3.706 9.427 1.00 6.16 C ATOM 843 O GLN A 162 100.977 4.322 10.491 1.00 6.76 O ATOM 844 CB GLN A 162 101.484 1.597 10.639 1.00 6.80 C ATOM 845 CG GLN A 162 100.674 0.520 11.347 1.00 6.97 C ATOM 846 CD GLN A 162 101.311 -0.852 11.246 1.00 7.56 C ATOM 847 OE1 GLN A 162 102.529 -0.994 11.365 1.00 8.05 O ATOM 848 NE2 GLN A 162 100.491 -1.872 11.027 1.00 7.77 N ATOM 0 H GLN A 162 102.376 1.611 8.177 1.00 5.30 H new ATOM 0 HA GLN A 162 99.725 1.914 9.442 1.00 6.01 H new ATOM 0 HB2 GLN A 162 102.442 1.177 10.332 1.00 6.80 H new ATOM 0 HB3 GLN A 162 101.699 2.400 11.343 1.00 6.80 H new ATOM 0 HG2 GLN A 162 100.562 0.787 12.398 1.00 6.97 H new ATOM 0 HG3 GLN A 162 99.672 0.484 10.918 1.00 6.97 H new ATOM 0 HE21 GLN A 162 99.488 -1.710 10.935 1.00 7.77 H new ATOM 0 HE22 GLN A 162 100.863 -2.819 10.951 1.00 7.77 H new ATOM 857 N LEU A 163 100.875 4.309 8.244 1.00 5.80 N ATOM 858 CA LEU A 163 100.969 5.760 8.123 1.00 6.11 C ATOM 859 C LEU A 163 99.781 6.440 8.797 1.00 6.27 C ATOM 860 O LEU A 163 98.704 5.857 8.912 1.00 6.00 O ATOM 861 CB LEU A 163 101.039 6.166 6.648 1.00 5.81 C ATOM 862 CG LEU A 163 102.453 6.379 6.103 1.00 6.22 C ATOM 863 CD1 LEU A 163 102.492 6.117 4.606 1.00 6.32 C ATOM 864 CD2 LEU A 163 102.935 7.788 6.413 1.00 6.57 C ATOM 0 H LEU A 163 100.800 3.816 7.354 1.00 5.80 H new ATOM 0 HA LEU A 163 101.881 6.084 8.624 1.00 6.11 H new ATOM 0 HB2 LEU A 163 100.548 5.397 6.051 1.00 5.81 H new ATOM 0 HB3 LEU A 163 100.471 7.086 6.513 1.00 5.81 H new ATOM 0 HG LEU A 163 103.122 5.671 6.592 1.00 6.22 H new ATOM 0 HD11 LEU A 163 103.505 6.273 4.236 1.00 6.32 H new ATOM 0 HD12 LEU A 163 102.188 5.089 4.408 1.00 6.32 H new ATOM 0 HD13 LEU A 163 101.811 6.801 4.099 1.00 6.32 H new ATOM 0 HD21 LEU A 163 103.942 7.923 6.019 1.00 6.57 H new ATOM 0 HD22 LEU A 163 102.264 8.512 5.951 1.00 6.57 H new ATOM 0 HD23 LEU A 163 102.945 7.940 7.492 1.00 6.57 H new ATOM 876 N ASP A 164 99.986 7.676 9.239 1.00 6.82 N ATOM 877 CA ASP A 164 98.933 8.436 9.902 1.00 7.11 C ATOM 878 C ASP A 164 98.067 9.167 8.881 1.00 6.85 C ATOM 879 O ASP A 164 98.541 9.551 7.812 1.00 6.80 O ATOM 880 CB ASP A 164 99.541 9.437 10.888 1.00 7.92 C ATOM 881 CG ASP A 164 98.993 9.269 12.292 1.00 8.46 C ATOM 882 OD1 ASP A 164 97.754 9.236 12.447 1.00 8.87 O ATOM 883 OD2 ASP A 164 99.803 9.170 13.238 1.00 8.71 O ATOM 0 H ASP A 164 100.872 8.173 9.150 1.00 6.82 H new ATOM 0 HA ASP A 164 98.302 7.737 10.451 1.00 7.11 H new ATOM 0 HB2 ASP A 164 100.624 9.313 10.906 1.00 7.92 H new ATOM 0 HB3 ASP A 164 99.342 10.451 10.542 1.00 7.92 H new ATOM 888 N CYS A 165 96.796 9.356 9.218 1.00 6.77 N ATOM 889 CA CYS A 165 95.866 10.041 8.328 1.00 6.61 C ATOM 890 C CYS A 165 96.240 11.509 8.178 1.00 7.27 C ATOM 891 O CYS A 165 96.030 12.314 9.086 1.00 7.79 O ATOM 892 CB CYS A 165 94.437 9.916 8.850 1.00 6.46 C ATOM 893 SG CYS A 165 93.172 9.844 7.541 1.00 5.92 S ATOM 0 H CYS A 165 96.387 9.045 10.099 1.00 6.77 H new ATOM 0 HA CYS A 165 95.926 9.567 7.348 1.00 6.61 H new ATOM 0 HB2 CYS A 165 94.362 9.017 9.463 1.00 6.46 H new ATOM 0 HB3 CYS A 165 94.224 10.764 9.501 1.00 6.46 H new ATOM 898 N ARG A 166 96.793 11.845 7.022 1.00 7.27 N ATOM 899 CA ARG A 166 97.201 13.216 6.736 1.00 7.93 C ATOM 900 C ARG A 166 95.988 14.099 6.466 1.00 8.10 C ATOM 901 O ARG A 166 95.857 15.172 7.050 1.00 0.00 O ATOM 902 CB ARG A 166 98.148 13.248 5.536 1.00 7.96 C ATOM 903 CG ARG A 166 99.521 12.661 5.827 1.00 7.80 C ATOM 904 CD ARG A 166 100.564 13.746 6.048 1.00 8.18 C ATOM 905 NE ARG A 166 100.071 14.816 6.913 1.00 8.38 N ATOM 906 CZ ARG A 166 99.593 15.980 6.470 1.00 8.69 C ATOM 907 NH1 ARG A 166 99.526 16.230 5.167 1.00 8.85 N ATOM 908 NH2 ARG A 166 99.176 16.895 7.333 1.00 9.07 N ATOM 0 H ARG A 166 96.971 11.186 6.264 1.00 7.27 H new ATOM 0 HA ARG A 166 97.722 13.604 7.611 1.00 7.93 H new ATOM 0 HB2 ARG A 166 97.695 12.698 4.711 1.00 7.96 H new ATOM 0 HB3 ARG A 166 98.266 14.280 5.205 1.00 7.96 H new ATOM 0 HG2 ARG A 166 99.465 12.026 6.711 1.00 7.80 H new ATOM 0 HG3 ARG A 166 99.828 12.025 4.996 1.00 7.80 H new ATOM 0 HD2 ARG A 166 101.457 13.305 6.491 1.00 8.18 H new ATOM 0 HD3 ARG A 166 100.859 14.165 5.086 1.00 8.18 H new ATOM 0 HE ARG A 166 100.094 14.663 7.921 1.00 8.38 H new ATOM 0 HH11 ARG A 166 99.841 15.529 4.496 1.00 8.85 H new ATOM 0 HH12 ARG A 166 99.159 17.123 4.837 1.00 8.85 H new ATOM 0 HH21 ARG A 166 99.221 16.709 8.335 1.00 9.07 H new ATOM 0 HH22 ARG A 166 98.810 17.785 6.995 1.00 9.07 H new TER 922 ARG A 166 HETATM 923 ZN ZN A 1 100.552 -4.189 -1.913 1.00 2.57 ZN HETATM 924 ZN ZN A 2 93.703 8.102 6.134 1.00 4.87 ZN