USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 406 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 Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 129:sc= 0.485 USER MOD Single : A 98 SER OG : rot 180:sc= 0.743 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.0077) USER MOD Single : A 105 MET CE :methyl -161:sc= -2.91 (180deg=-3.94!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot -179:sc= 1.09 USER MOD Single : A 131 ASN : amide:sc= -3.25 K(o=-3.2,f=-14!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N ILE A 81 11.182 -1.720 0.836 1.00 0.00 N ATOM 40 CA ILE A 81 10.046 -1.891 -0.115 1.00 0.00 C ATOM 41 C ILE A 81 8.852 -1.080 0.383 1.00 0.00 C ATOM 42 O ILE A 81 7.772 -1.593 0.527 1.00 0.00 O ATOM 43 CB ILE A 81 9.742 -3.402 -0.198 1.00 0.00 C ATOM 44 CG1 ILE A 81 9.145 -3.938 1.148 1.00 0.00 C ATOM 45 CG2 ILE A 81 11.027 -4.141 -0.614 1.00 0.00 C ATOM 46 CD1 ILE A 81 10.141 -4.802 1.945 1.00 0.00 C ATOM 0 HA ILE A 81 10.284 -1.525 -1.114 1.00 0.00 H new ATOM 0 HB ILE A 81 8.978 -3.586 -0.953 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.832 -3.094 1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.252 -4.526 0.935 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.827 -5.211 -0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 81 11.358 -3.776 -1.586 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.806 -3.960 0.126 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.670 -5.144 2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.435 -5.664 1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 81 11.024 -4.210 2.187 1.00 0.00 H new ATOM 58 N ILE A 82 9.040 0.195 0.637 1.00 0.00 N ATOM 59 CA ILE A 82 7.893 1.021 1.120 1.00 0.00 C ATOM 60 C ILE A 82 7.304 1.777 -0.066 1.00 0.00 C ATOM 61 O ILE A 82 7.988 2.025 -1.033 1.00 0.00 O ATOM 62 CB ILE A 82 8.475 1.992 2.160 1.00 0.00 C ATOM 63 CG1 ILE A 82 9.072 1.194 3.328 1.00 0.00 C ATOM 64 CG2 ILE A 82 7.370 2.928 2.693 1.00 0.00 C ATOM 65 CD1 ILE A 82 9.789 2.141 4.293 1.00 0.00 C ATOM 0 H ILE A 82 9.925 0.691 0.532 1.00 0.00 H new ATOM 0 HA ILE A 82 7.099 0.421 1.564 1.00 0.00 H new ATOM 0 HB ILE A 82 9.252 2.592 1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.283 0.655 3.853 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.771 0.448 2.950 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.795 3.611 3.429 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.949 3.501 1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.584 2.334 3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.210 1.568 5.119 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.590 2.660 3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.079 2.870 4.682 1.00 0.00 H new ATOM 77 N VAL A 83 6.052 2.150 -0.004 1.00 0.00 N ATOM 78 CA VAL A 83 5.440 2.900 -1.142 1.00 0.00 C ATOM 79 C VAL A 83 4.557 4.030 -0.615 1.00 0.00 C ATOM 80 O VAL A 83 4.327 4.151 0.573 1.00 0.00 O ATOM 81 CB VAL A 83 4.582 1.885 -1.917 1.00 0.00 C ATOM 82 CG1 VAL A 83 5.467 0.799 -2.542 1.00 0.00 C ATOM 83 CG2 VAL A 83 3.557 1.239 -0.975 1.00 0.00 C ATOM 0 H VAL A 83 5.428 1.969 0.783 1.00 0.00 H new ATOM 0 HA VAL A 83 6.205 3.345 -1.778 1.00 0.00 H new ATOM 0 HB VAL A 83 4.058 2.412 -2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.843 0.090 -3.086 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.177 1.259 -3.229 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.010 0.275 -1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.953 0.522 -1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.078 0.726 -0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.910 2.010 -0.557 1.00 0.00 H new ATOM 93 N VAL A 84 4.041 4.841 -1.500 1.00 0.00 N ATOM 94 CA VAL A 84 3.148 5.945 -1.070 1.00 0.00 C ATOM 95 C VAL A 84 1.913 5.977 -1.974 1.00 0.00 C ATOM 96 O VAL A 84 2.029 5.997 -3.185 1.00 0.00 O ATOM 97 CB VAL A 84 3.985 7.234 -1.194 1.00 0.00 C ATOM 98 CG1 VAL A 84 4.149 7.652 -2.658 1.00 0.00 C ATOM 99 CG2 VAL A 84 3.274 8.356 -0.446 1.00 0.00 C ATOM 0 H VAL A 84 4.203 4.782 -2.505 1.00 0.00 H new ATOM 0 HA VAL A 84 2.788 5.825 -0.048 1.00 0.00 H new ATOM 0 HB VAL A 84 4.972 7.045 -0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.744 8.564 -2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.652 6.858 -3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.168 7.832 -3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.857 9.273 -0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.287 8.514 -0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.169 8.084 0.604 1.00 0.00 H new ATOM 109 N ALA A 85 0.744 5.980 -1.403 1.00 0.00 N ATOM 110 CA ALA A 85 -0.491 6.017 -2.237 1.00 0.00 C ATOM 111 C ALA A 85 -0.621 7.396 -2.878 1.00 0.00 C ATOM 112 O ALA A 85 -0.698 8.393 -2.178 1.00 0.00 O ATOM 113 CB ALA A 85 -1.640 5.775 -1.268 1.00 0.00 C ATOM 0 H ALA A 85 0.588 5.958 -0.395 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.479 5.276 -3.036 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.584 5.789 -1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.512 4.805 -0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.647 6.558 -0.510 1.00 0.00 H new ATOM 119 N LEU A 86 -0.643 7.453 -4.197 1.00 0.00 N ATOM 120 CA LEU A 86 -0.756 8.768 -4.908 1.00 0.00 C ATOM 121 C LEU A 86 -2.216 9.094 -5.247 1.00 0.00 C ATOM 122 O LEU A 86 -2.497 10.121 -5.832 1.00 0.00 O ATOM 123 CB LEU A 86 0.042 8.606 -6.212 1.00 0.00 C ATOM 124 CG LEU A 86 1.489 8.208 -5.898 1.00 0.00 C ATOM 125 CD1 LEU A 86 2.245 7.932 -7.200 1.00 0.00 C ATOM 126 CD2 LEU A 86 2.179 9.345 -5.143 1.00 0.00 C ATOM 0 H LEU A 86 -0.587 6.639 -4.809 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.380 9.578 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.424 7.847 -6.841 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.027 9.539 -6.775 1.00 0.00 H new ATOM 0 HG LEU A 86 1.488 7.308 -5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.273 7.650 -6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.757 7.120 -7.739 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.244 8.830 -7.818 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.208 9.062 -4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.176 10.245 -5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.646 9.540 -4.212 1.00 0.00 H new ATOM 138 N TYR A 87 -3.146 8.241 -4.891 1.00 0.00 N ATOM 139 CA TYR A 87 -4.594 8.522 -5.181 1.00 0.00 C ATOM 140 C TYR A 87 -5.437 7.810 -4.122 1.00 0.00 C ATOM 141 O TYR A 87 -5.025 6.806 -3.570 1.00 0.00 O ATOM 142 CB TYR A 87 -4.890 7.964 -6.584 1.00 0.00 C ATOM 143 CG TYR A 87 -3.905 8.522 -7.584 1.00 0.00 C ATOM 144 CD1 TYR A 87 -4.103 9.792 -8.143 1.00 0.00 C ATOM 145 CD2 TYR A 87 -2.778 7.771 -7.935 1.00 0.00 C ATOM 146 CE1 TYR A 87 -3.170 10.306 -9.054 1.00 0.00 C ATOM 147 CE2 TYR A 87 -1.849 8.283 -8.845 1.00 0.00 C ATOM 148 CZ TYR A 87 -2.042 9.553 -9.405 1.00 0.00 C ATOM 149 OH TYR A 87 -1.124 10.060 -10.304 1.00 0.00 O ATOM 0 H TYR A 87 -2.967 7.359 -4.411 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.824 9.587 -5.153 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.830 6.876 -6.571 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.907 8.223 -6.880 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.972 10.373 -7.872 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.626 6.793 -7.502 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.321 11.284 -9.486 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -0.982 7.699 -9.117 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.402 9.411 -10.436 1.00 0.00 H new ATOM 159 N ASP A 88 -6.594 8.333 -3.810 1.00 0.00 N ATOM 160 CA ASP A 88 -7.441 7.689 -2.760 1.00 0.00 C ATOM 161 C ASP A 88 -7.904 6.308 -3.233 1.00 0.00 C ATOM 162 O ASP A 88 -8.073 6.084 -4.417 1.00 0.00 O ATOM 163 CB ASP A 88 -8.644 8.614 -2.563 1.00 0.00 C ATOM 164 CG ASP A 88 -8.175 9.965 -2.013 1.00 0.00 C ATOM 165 OD1 ASP A 88 -7.307 9.964 -1.156 1.00 0.00 O ATOM 166 OD2 ASP A 88 -8.694 10.976 -2.458 1.00 0.00 O ATOM 0 H ASP A 88 -6.988 9.173 -4.233 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.891 7.548 -1.830 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.163 8.757 -3.511 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.356 8.158 -1.875 1.00 0.00 H new ATOM 171 N TYR A 89 -8.124 5.385 -2.325 1.00 0.00 N ATOM 172 CA TYR A 89 -8.597 4.020 -2.744 1.00 0.00 C ATOM 173 C TYR A 89 -9.389 3.342 -1.621 1.00 0.00 C ATOM 174 O TYR A 89 -9.009 3.381 -0.468 1.00 0.00 O ATOM 175 CB TYR A 89 -7.336 3.215 -3.062 1.00 0.00 C ATOM 176 CG TYR A 89 -7.735 1.943 -3.772 1.00 0.00 C ATOM 177 CD1 TYR A 89 -8.232 1.995 -5.081 1.00 0.00 C ATOM 178 CD2 TYR A 89 -7.635 0.713 -3.111 1.00 0.00 C ATOM 179 CE1 TYR A 89 -8.624 0.813 -5.729 1.00 0.00 C ATOM 180 CE2 TYR A 89 -8.032 -0.468 -3.758 1.00 0.00 C ATOM 181 CZ TYR A 89 -8.526 -0.417 -5.066 1.00 0.00 C ATOM 182 OH TYR A 89 -8.917 -1.581 -5.700 1.00 0.00 O ATOM 0 H TYR A 89 -7.999 5.513 -1.321 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.263 4.086 -3.604 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.662 3.801 -3.688 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.796 2.981 -2.144 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.313 2.944 -5.591 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.252 0.673 -2.102 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.002 0.852 -6.740 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.956 -1.416 -3.246 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.203 -2.249 -5.628 1.00 0.00 H new ATOM 192 N GLU A 90 -10.491 2.722 -1.964 1.00 0.00 N ATOM 193 CA GLU A 90 -11.341 2.042 -0.940 1.00 0.00 C ATOM 194 C GLU A 90 -11.105 0.522 -0.943 1.00 0.00 C ATOM 195 O GLU A 90 -10.921 -0.082 -1.982 1.00 0.00 O ATOM 196 CB GLU A 90 -12.772 2.364 -1.371 1.00 0.00 C ATOM 197 CG GLU A 90 -13.681 2.407 -0.143 1.00 0.00 C ATOM 198 CD GLU A 90 -15.107 2.030 -0.548 1.00 0.00 C ATOM 199 OE1 GLU A 90 -15.582 2.566 -1.536 1.00 0.00 O ATOM 200 OE2 GLU A 90 -15.699 1.212 0.135 1.00 0.00 O ATOM 0 H GLU A 90 -10.841 2.658 -2.920 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.118 2.379 0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.799 3.322 -1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.129 1.611 -2.074 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.314 1.718 0.618 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.668 3.404 0.297 1.00 0.00 H new ATOM 207 N ALA A 91 -11.112 -0.098 0.219 1.00 0.00 N ATOM 208 CA ALA A 91 -10.893 -1.582 0.295 1.00 0.00 C ATOM 209 C ALA A 91 -11.907 -2.322 -0.589 1.00 0.00 C ATOM 210 O ALA A 91 -12.835 -1.731 -1.108 1.00 0.00 O ATOM 211 CB ALA A 91 -11.094 -1.958 1.772 1.00 0.00 C ATOM 0 H ALA A 91 -11.260 0.361 1.118 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.900 -1.859 -0.059 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.948 -3.031 1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.372 -1.419 2.386 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -12.104 -1.691 2.081 1.00 0.00 H new ATOM 285 N ASP A 96 -7.931 -6.379 2.615 1.00 0.00 N ATOM 286 CA ASP A 96 -7.844 -5.172 1.749 1.00 0.00 C ATOM 287 C ASP A 96 -7.537 -3.943 2.602 1.00 0.00 C ATOM 288 O ASP A 96 -7.551 -4.011 3.818 1.00 0.00 O ATOM 289 CB ASP A 96 -9.220 -5.051 1.088 1.00 0.00 C ATOM 290 CG ASP A 96 -10.331 -4.910 2.145 1.00 0.00 C ATOM 291 OD1 ASP A 96 -10.014 -4.812 3.321 1.00 0.00 O ATOM 292 OD2 ASP A 96 -11.487 -4.915 1.755 1.00 0.00 O ATOM 0 HA ASP A 96 -7.051 -5.248 1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.233 -4.187 0.424 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.409 -5.930 0.471 1.00 0.00 H new ATOM 297 N LEU A 97 -7.260 -2.825 1.984 1.00 0.00 N ATOM 298 CA LEU A 97 -6.953 -1.596 2.774 1.00 0.00 C ATOM 299 C LEU A 97 -7.335 -0.331 1.999 1.00 0.00 C ATOM 300 O LEU A 97 -6.933 -0.141 0.867 1.00 0.00 O ATOM 301 CB LEU A 97 -5.440 -1.639 3.009 1.00 0.00 C ATOM 302 CG LEU A 97 -5.015 -0.432 3.851 1.00 0.00 C ATOM 303 CD1 LEU A 97 -5.363 -0.677 5.316 1.00 0.00 C ATOM 304 CD2 LEU A 97 -3.510 -0.216 3.721 1.00 0.00 C ATOM 0 H LEU A 97 -7.233 -2.710 0.971 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.517 -1.569 3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.167 -2.564 3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.913 -1.633 2.055 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.542 0.453 3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.059 0.184 5.911 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.438 -0.825 5.415 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.841 -1.566 5.670 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.213 0.644 4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.983 -1.104 4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.257 -0.034 2.676 1.00 0.00 H new ATOM 316 N SER A 98 -8.085 0.546 2.620 1.00 0.00 N ATOM 317 CA SER A 98 -8.467 1.821 1.949 1.00 0.00 C ATOM 318 C SER A 98 -7.488 2.919 2.357 1.00 0.00 C ATOM 319 O SER A 98 -7.537 3.425 3.462 1.00 0.00 O ATOM 320 CB SER A 98 -9.859 2.169 2.456 1.00 0.00 C ATOM 321 OG SER A 98 -10.613 0.983 2.663 1.00 0.00 O ATOM 0 H SER A 98 -8.449 0.431 3.566 1.00 0.00 H new ATOM 0 HA SER A 98 -8.449 1.725 0.863 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.786 2.730 3.388 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.367 2.811 1.736 1.00 0.00 H new ATOM 0 HG SER A 98 -11.507 1.216 2.991 1.00 0.00 H new ATOM 327 N PHE A 99 -6.608 3.284 1.473 1.00 0.00 N ATOM 328 CA PHE A 99 -5.605 4.353 1.796 1.00 0.00 C ATOM 329 C PHE A 99 -5.997 5.682 1.141 1.00 0.00 C ATOM 330 O PHE A 99 -7.113 5.849 0.679 1.00 0.00 O ATOM 331 CB PHE A 99 -4.249 3.844 1.281 1.00 0.00 C ATOM 332 CG PHE A 99 -4.331 3.390 -0.163 1.00 0.00 C ATOM 333 CD1 PHE A 99 -4.382 4.333 -1.194 1.00 0.00 C ATOM 334 CD2 PHE A 99 -4.341 2.021 -0.467 1.00 0.00 C ATOM 335 CE1 PHE A 99 -4.441 3.912 -2.529 1.00 0.00 C ATOM 336 CE2 PHE A 99 -4.396 1.602 -1.804 1.00 0.00 C ATOM 337 CZ PHE A 99 -4.445 2.549 -2.834 1.00 0.00 C ATOM 0 H PHE A 99 -6.533 2.892 0.534 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.559 4.546 2.868 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.505 4.636 1.372 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.911 3.016 1.904 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.376 5.388 -0.961 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.306 1.290 0.328 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.483 4.642 -3.323 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.401 0.548 -2.039 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.486 2.226 -3.864 1.00 0.00 H new ATOM 347 N GLN A 100 -5.101 6.645 1.132 1.00 0.00 N ATOM 348 CA GLN A 100 -5.452 7.976 0.547 1.00 0.00 C ATOM 349 C GLN A 100 -4.467 8.427 -0.547 1.00 0.00 C ATOM 350 O GLN A 100 -3.525 7.742 -0.899 1.00 0.00 O ATOM 351 CB GLN A 100 -5.430 8.955 1.732 1.00 0.00 C ATOM 352 CG GLN A 100 -6.821 9.570 1.917 1.00 0.00 C ATOM 353 CD GLN A 100 -6.927 10.184 3.315 1.00 0.00 C ATOM 354 OE1 GLN A 100 -6.189 11.090 3.651 1.00 0.00 O ATOM 355 NE2 GLN A 100 -7.822 9.728 4.149 1.00 0.00 N ATOM 0 H GLN A 100 -4.153 6.566 1.501 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.423 7.932 0.054 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.128 8.435 2.641 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.695 9.740 1.554 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.996 10.333 1.159 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.588 8.807 1.784 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.441 8.968 3.867 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.902 10.132 5.082 1.00 0.00 H new ATOM 364 N LYS A 101 -4.747 9.577 -1.105 1.00 0.00 N ATOM 365 CA LYS A 101 -3.932 10.156 -2.227 1.00 0.00 C ATOM 366 C LYS A 101 -2.471 10.430 -1.886 1.00 0.00 C ATOM 367 O LYS A 101 -1.645 10.597 -2.767 1.00 0.00 O ATOM 368 CB LYS A 101 -4.619 11.472 -2.538 1.00 0.00 C ATOM 369 CG LYS A 101 -4.067 12.030 -3.837 1.00 0.00 C ATOM 370 CD LYS A 101 -5.167 12.778 -4.581 1.00 0.00 C ATOM 371 CE LYS A 101 -6.214 11.786 -5.103 1.00 0.00 C ATOM 372 NZ LYS A 101 -7.355 12.642 -5.525 1.00 0.00 N ATOM 0 H LYS A 101 -5.534 10.161 -0.822 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.892 9.443 -3.051 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.696 11.323 -2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.457 12.181 -1.726 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.233 12.701 -3.631 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.680 11.221 -4.457 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.639 13.502 -3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.739 13.339 -5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.826 11.201 -5.937 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.512 11.079 -4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.120 12.043 -5.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.705 13.182 -4.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.040 13.300 -6.266 1.00 0.00 H new ATOM 386 N GLY A 102 -2.159 10.519 -0.647 1.00 0.00 N ATOM 387 CA GLY A 102 -0.755 10.818 -0.240 1.00 0.00 C ATOM 388 C GLY A 102 -0.424 10.015 1.004 1.00 0.00 C ATOM 389 O GLY A 102 0.183 10.513 1.933 1.00 0.00 O ATOM 0 H GLY A 102 -2.815 10.398 0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.067 10.565 -1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.638 11.884 -0.043 1.00 0.00 H new ATOM 393 N ASP A 103 -0.829 8.776 1.034 1.00 0.00 N ATOM 394 CA ASP A 103 -0.540 7.931 2.246 1.00 0.00 C ATOM 395 C ASP A 103 0.788 7.193 2.110 1.00 0.00 C ATOM 396 O ASP A 103 1.336 7.068 1.033 1.00 0.00 O ATOM 397 CB ASP A 103 -1.695 6.942 2.376 1.00 0.00 C ATOM 398 CG ASP A 103 -2.792 7.553 3.254 1.00 0.00 C ATOM 399 OD1 ASP A 103 -2.973 8.757 3.189 1.00 0.00 O ATOM 400 OD2 ASP A 103 -3.429 6.804 3.978 1.00 0.00 O ATOM 0 H ASP A 103 -1.342 8.309 0.286 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.454 8.557 3.134 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.094 6.701 1.391 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.341 6.008 2.814 1.00 0.00 H new ATOM 405 N GLN A 104 1.299 6.691 3.200 1.00 0.00 N ATOM 406 CA GLN A 104 2.577 5.948 3.158 1.00 0.00 C ATOM 407 C GLN A 104 2.380 4.549 3.722 1.00 0.00 C ATOM 408 O GLN A 104 2.173 4.368 4.908 1.00 0.00 O ATOM 409 CB GLN A 104 3.535 6.751 4.037 1.00 0.00 C ATOM 410 CG GLN A 104 4.239 7.808 3.187 1.00 0.00 C ATOM 411 CD GLN A 104 5.656 8.021 3.715 1.00 0.00 C ATOM 412 OE1 GLN A 104 6.010 9.108 4.128 1.00 0.00 O ATOM 413 NE2 GLN A 104 6.490 7.016 3.718 1.00 0.00 N ATOM 0 H GLN A 104 0.876 6.768 4.125 1.00 0.00 H new ATOM 0 HA GLN A 104 2.959 5.835 2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.987 7.228 4.850 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.269 6.088 4.494 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.271 7.490 2.145 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.683 8.745 3.218 1.00 0.00 H new ATOM 0 HE21 GLN A 104 6.191 6.104 3.371 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.440 7.143 4.067 1.00 0.00 H new ATOM 422 N MET A 105 2.457 3.562 2.878 1.00 0.00 N ATOM 423 CA MET A 105 2.300 2.155 3.337 1.00 0.00 C ATOM 424 C MET A 105 3.529 1.394 2.890 1.00 0.00 C ATOM 425 O MET A 105 4.060 1.649 1.824 1.00 0.00 O ATOM 426 CB MET A 105 1.062 1.596 2.630 1.00 0.00 C ATOM 427 CG MET A 105 -0.155 2.476 2.910 1.00 0.00 C ATOM 428 SD MET A 105 -1.545 1.887 1.915 1.00 0.00 S ATOM 429 CE MET A 105 -0.960 2.492 0.310 1.00 0.00 C ATOM 0 H MET A 105 2.624 3.670 1.878 1.00 0.00 H new ATOM 0 HA MET A 105 2.189 2.076 4.418 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.241 1.544 1.556 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.869 0.579 2.971 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.409 2.442 3.969 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.068 3.515 2.669 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.796 2.541 -0.387 1.00 0.00 H new ATOM 0 HE2 MET A 105 -0.529 3.486 0.431 1.00 0.00 H new ATOM 0 HE3 MET A 105 -0.202 1.813 -0.080 1.00 0.00 H new ATOM 439 N VAL A 106 3.999 0.475 3.683 1.00 0.00 N ATOM 440 CA VAL A 106 5.206 -0.283 3.272 1.00 0.00 C ATOM 441 C VAL A 106 4.755 -1.602 2.634 1.00 0.00 C ATOM 442 O VAL A 106 3.650 -2.041 2.853 1.00 0.00 O ATOM 443 CB VAL A 106 6.061 -0.498 4.545 1.00 0.00 C ATOM 444 CG1 VAL A 106 6.164 0.803 5.360 1.00 0.00 C ATOM 445 CG2 VAL A 106 5.437 -1.579 5.418 1.00 0.00 C ATOM 0 H VAL A 106 3.604 0.219 4.588 1.00 0.00 H new ATOM 0 HA VAL A 106 5.808 0.246 2.533 1.00 0.00 H new ATOM 0 HB VAL A 106 7.059 -0.804 4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.769 0.628 6.250 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.630 1.578 4.751 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.166 1.126 5.658 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.046 -1.722 6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.431 -1.276 5.710 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.386 -2.514 4.859 1.00 0.00 H new ATOM 455 N VAL A 107 5.590 -2.240 1.861 1.00 0.00 N ATOM 456 CA VAL A 107 5.170 -3.524 1.213 1.00 0.00 C ATOM 457 C VAL A 107 5.596 -4.720 2.063 1.00 0.00 C ATOM 458 O VAL A 107 6.694 -4.781 2.580 1.00 0.00 O ATOM 459 CB VAL A 107 5.861 -3.559 -0.158 1.00 0.00 C ATOM 460 CG1 VAL A 107 5.484 -4.846 -0.902 1.00 0.00 C ATOM 461 CG2 VAL A 107 5.406 -2.348 -0.972 1.00 0.00 C ATOM 0 H VAL A 107 6.540 -1.934 1.648 1.00 0.00 H new ATOM 0 HA VAL A 107 4.086 -3.579 1.110 1.00 0.00 H new ATOM 0 HB VAL A 107 6.942 -3.533 -0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 107 5.978 -4.863 -1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.802 -5.710 -0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.404 -4.881 -1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.891 -2.363 -1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.325 -2.383 -1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.678 -1.433 -0.446 1.00 0.00 H new ATOM 471 N LEU A 108 4.726 -5.678 2.173 1.00 0.00 N ATOM 472 CA LEU A 108 5.026 -6.909 2.950 1.00 0.00 C ATOM 473 C LEU A 108 5.539 -7.984 1.991 1.00 0.00 C ATOM 474 O LEU A 108 6.319 -8.841 2.356 1.00 0.00 O ATOM 475 CB LEU A 108 3.676 -7.343 3.539 1.00 0.00 C ATOM 476 CG LEU A 108 3.321 -6.477 4.750 1.00 0.00 C ATOM 477 CD1 LEU A 108 2.546 -5.250 4.296 1.00 0.00 C ATOM 478 CD2 LEU A 108 2.439 -7.279 5.712 1.00 0.00 C ATOM 0 H LEU A 108 3.799 -5.660 1.748 1.00 0.00 H new ATOM 0 HA LEU A 108 5.778 -6.750 3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.897 -7.258 2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.720 -8.391 3.834 1.00 0.00 H new ATOM 0 HG LEU A 108 4.241 -6.172 5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.296 -4.637 5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.156 -4.669 3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.629 -5.563 3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.186 -6.662 6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.524 -7.581 5.201 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.978 -8.166 6.046 1.00 0.00 H new ATOM 490 N GLU A 109 5.099 -7.930 0.759 1.00 0.00 N ATOM 491 CA GLU A 109 5.542 -8.928 -0.256 1.00 0.00 C ATOM 492 C GLU A 109 5.395 -8.335 -1.659 1.00 0.00 C ATOM 493 O GLU A 109 4.697 -7.357 -1.849 1.00 0.00 O ATOM 494 CB GLU A 109 4.592 -10.109 -0.089 1.00 0.00 C ATOM 495 CG GLU A 109 5.157 -11.087 0.943 1.00 0.00 C ATOM 496 CD GLU A 109 4.728 -12.516 0.591 1.00 0.00 C ATOM 497 OE1 GLU A 109 4.491 -12.780 -0.577 1.00 0.00 O ATOM 498 OE2 GLU A 109 4.645 -13.325 1.500 1.00 0.00 O ATOM 0 H GLU A 109 4.445 -7.229 0.412 1.00 0.00 H new ATOM 0 HA GLU A 109 6.585 -9.218 -0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.611 -9.756 0.230 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.454 -10.614 -1.045 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.245 -11.019 0.965 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.801 -10.825 1.939 1.00 0.00 H new ATOM 505 N GLU A 110 6.029 -8.924 -2.641 1.00 0.00 N ATOM 506 CA GLU A 110 5.902 -8.396 -4.037 1.00 0.00 C ATOM 507 C GLU A 110 5.338 -9.475 -4.979 1.00 0.00 C ATOM 508 O GLU A 110 5.911 -10.538 -5.134 1.00 0.00 O ATOM 509 CB GLU A 110 7.320 -8.010 -4.453 1.00 0.00 C ATOM 510 CG GLU A 110 7.252 -7.098 -5.679 1.00 0.00 C ATOM 511 CD GLU A 110 8.653 -6.915 -6.260 1.00 0.00 C ATOM 512 OE1 GLU A 110 9.078 -7.780 -7.010 1.00 0.00 O ATOM 513 OE2 GLU A 110 9.274 -5.914 -5.949 1.00 0.00 O ATOM 0 H GLU A 110 6.627 -9.744 -2.539 1.00 0.00 H new ATOM 0 HA GLU A 110 5.218 -7.549 -4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.827 -7.501 -3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.901 -8.903 -4.681 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.590 -7.530 -6.429 1.00 0.00 H new ATOM 0 HG3 GLU A 110 6.833 -6.131 -5.402 1.00 0.00 H new ATOM 520 N SER A 111 4.218 -9.202 -5.608 1.00 0.00 N ATOM 521 CA SER A 111 3.605 -10.197 -6.547 1.00 0.00 C ATOM 522 C SER A 111 3.422 -9.579 -7.940 1.00 0.00 C ATOM 523 O SER A 111 3.971 -10.052 -8.919 1.00 0.00 O ATOM 524 CB SER A 111 2.242 -10.533 -5.943 1.00 0.00 C ATOM 525 OG SER A 111 1.757 -11.737 -6.520 1.00 0.00 O ATOM 0 H SER A 111 3.700 -8.329 -5.511 1.00 0.00 H new ATOM 0 HA SER A 111 4.233 -11.080 -6.666 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.328 -10.643 -4.862 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.540 -9.720 -6.126 1.00 0.00 H new ATOM 0 HG SER A 111 0.884 -11.956 -6.133 1.00 0.00 H new ATOM 531 N GLY A 112 2.644 -8.531 -8.032 1.00 0.00 N ATOM 532 CA GLY A 112 2.405 -7.874 -9.354 1.00 0.00 C ATOM 533 C GLY A 112 1.012 -7.240 -9.360 1.00 0.00 C ATOM 534 O GLY A 112 0.035 -7.880 -9.029 1.00 0.00 O ATOM 0 H GLY A 112 2.161 -8.099 -7.244 1.00 0.00 H new ATOM 0 HA2 GLY A 112 3.164 -7.113 -9.537 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.487 -8.606 -10.157 1.00 0.00 H new ATOM 538 N GLU A 113 0.916 -5.983 -9.739 1.00 0.00 N ATOM 539 CA GLU A 113 -0.411 -5.270 -9.769 1.00 0.00 C ATOM 540 C GLU A 113 -0.971 -5.113 -8.344 1.00 0.00 C ATOM 541 O GLU A 113 -1.062 -4.015 -7.825 1.00 0.00 O ATOM 542 CB GLU A 113 -1.352 -6.122 -10.640 1.00 0.00 C ATOM 543 CG GLU A 113 -2.463 -5.237 -11.217 1.00 0.00 C ATOM 544 CD GLU A 113 -1.882 -4.297 -12.278 1.00 0.00 C ATOM 545 OE1 GLU A 113 -0.945 -4.697 -12.950 1.00 0.00 O ATOM 546 OE2 GLU A 113 -2.386 -3.194 -12.403 1.00 0.00 O ATOM 0 H GLU A 113 1.709 -5.413 -10.033 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.309 -4.266 -10.181 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -0.790 -6.591 -11.448 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -1.786 -6.926 -10.045 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -3.243 -5.858 -11.657 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -2.929 -4.657 -10.420 1.00 0.00 H new ATOM 553 N TRP A 114 -1.350 -6.199 -7.712 1.00 0.00 N ATOM 554 CA TRP A 114 -1.904 -6.116 -6.329 1.00 0.00 C ATOM 555 C TRP A 114 -0.817 -6.451 -5.300 1.00 0.00 C ATOM 556 O TRP A 114 -0.388 -7.584 -5.186 1.00 0.00 O ATOM 557 CB TRP A 114 -3.024 -7.157 -6.290 1.00 0.00 C ATOM 558 CG TRP A 114 -4.151 -6.701 -7.158 1.00 0.00 C ATOM 559 CD1 TRP A 114 -4.322 -7.038 -8.456 1.00 0.00 C ATOM 560 CD2 TRP A 114 -5.260 -5.823 -6.815 1.00 0.00 C ATOM 561 NE1 TRP A 114 -5.467 -6.425 -8.931 1.00 0.00 N ATOM 562 CE2 TRP A 114 -6.082 -5.666 -7.956 1.00 0.00 C ATOM 563 CE3 TRP A 114 -5.631 -5.157 -5.632 1.00 0.00 C ATOM 564 CZ2 TRP A 114 -7.228 -4.874 -7.926 1.00 0.00 C ATOM 565 CZ3 TRP A 114 -6.785 -4.358 -5.597 1.00 0.00 C ATOM 566 CH2 TRP A 114 -7.582 -4.218 -6.742 1.00 0.00 C ATOM 0 H TRP A 114 -1.298 -7.141 -8.099 1.00 0.00 H new ATOM 0 HA TRP A 114 -2.268 -5.117 -6.088 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -2.652 -8.122 -6.634 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -3.371 -7.296 -5.266 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -3.670 -7.681 -9.029 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -5.814 -6.522 -9.885 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -5.024 -5.261 -4.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -7.839 -4.767 -8.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -7.060 -3.849 -4.685 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -8.470 -3.604 -6.710 1.00 0.00 H new ATOM 577 N TRP A 115 -0.366 -5.471 -4.557 1.00 0.00 N ATOM 578 CA TRP A 115 0.699 -5.720 -3.536 1.00 0.00 C ATOM 579 C TRP A 115 0.105 -5.643 -2.123 1.00 0.00 C ATOM 580 O TRP A 115 -0.808 -4.882 -1.868 1.00 0.00 O ATOM 581 CB TRP A 115 1.729 -4.592 -3.744 1.00 0.00 C ATOM 582 CG TRP A 115 2.478 -4.754 -5.046 1.00 0.00 C ATOM 583 CD1 TRP A 115 2.304 -5.750 -5.955 1.00 0.00 C ATOM 584 CD2 TRP A 115 3.529 -3.897 -5.593 1.00 0.00 C ATOM 585 NE1 TRP A 115 3.167 -5.546 -7.015 1.00 0.00 N ATOM 586 CE2 TRP A 115 3.944 -4.425 -6.839 1.00 0.00 C ATOM 587 CE3 TRP A 115 4.155 -2.721 -5.134 1.00 0.00 C ATOM 588 CZ2 TRP A 115 4.939 -3.814 -7.603 1.00 0.00 C ATOM 589 CZ3 TRP A 115 5.159 -2.103 -5.902 1.00 0.00 C ATOM 590 CH2 TRP A 115 5.550 -2.649 -7.134 1.00 0.00 C ATOM 0 H TRP A 115 -0.691 -4.506 -4.614 1.00 0.00 H new ATOM 0 HA TRP A 115 1.148 -6.708 -3.644 1.00 0.00 H new ATOM 0 HB2 TRP A 115 1.220 -3.628 -3.734 1.00 0.00 H new ATOM 0 HB3 TRP A 115 2.437 -4.588 -2.915 1.00 0.00 H new ATOM 0 HD1 TRP A 115 1.605 -6.568 -5.864 1.00 0.00 H new ATOM 0 HE1 TRP A 115 3.221 -6.155 -7.831 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.862 -2.292 -4.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 5.235 -4.239 -8.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 5.632 -1.202 -5.541 1.00 0.00 H new ATOM 0 HH2 TRP A 115 6.322 -2.170 -7.718 1.00 0.00 H new ATOM 601 N LYS A 116 0.636 -6.410 -1.205 1.00 0.00 N ATOM 602 CA LYS A 116 0.123 -6.381 0.203 1.00 0.00 C ATOM 603 C LYS A 116 1.008 -5.444 1.025 1.00 0.00 C ATOM 604 O LYS A 116 2.176 -5.714 1.213 1.00 0.00 O ATOM 605 CB LYS A 116 0.260 -7.826 0.700 1.00 0.00 C ATOM 606 CG LYS A 116 -1.043 -8.295 1.348 1.00 0.00 C ATOM 607 CD LYS A 116 -0.834 -9.710 1.889 1.00 0.00 C ATOM 608 CE LYS A 116 -1.762 -9.958 3.082 1.00 0.00 C ATOM 609 NZ LYS A 116 -1.133 -11.087 3.830 1.00 0.00 N ATOM 0 H LYS A 116 1.406 -7.059 -1.369 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.905 -6.027 0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.515 -8.481 -0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.076 -7.894 1.420 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -1.330 -7.620 2.154 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.854 -8.284 0.620 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.033 -10.441 1.105 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.205 -9.842 2.192 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -1.848 -9.069 3.707 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.769 -10.215 2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -1.711 -11.316 4.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -1.071 -11.921 3.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.178 -10.811 4.137 1.00 0.00 H new ATOM 623 N ALA A 117 0.481 -4.339 1.490 1.00 0.00 N ATOM 624 CA ALA A 117 1.330 -3.382 2.261 1.00 0.00 C ATOM 625 C ALA A 117 0.708 -3.018 3.621 1.00 0.00 C ATOM 626 O ALA A 117 -0.470 -3.216 3.863 1.00 0.00 O ATOM 627 CB ALA A 117 1.413 -2.154 1.358 1.00 0.00 C ATOM 0 H ALA A 117 -0.493 -4.060 1.370 1.00 0.00 H new ATOM 0 HA ALA A 117 2.305 -3.807 2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 117 2.021 -1.388 1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.867 -2.432 0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.411 -1.764 1.181 1.00 0.00 H new ATOM 633 N ARG A 118 1.508 -2.478 4.508 1.00 0.00 N ATOM 634 CA ARG A 118 1.010 -2.085 5.850 1.00 0.00 C ATOM 635 C ARG A 118 1.011 -0.559 5.965 1.00 0.00 C ATOM 636 O ARG A 118 2.017 0.089 5.748 1.00 0.00 O ATOM 637 CB ARG A 118 1.998 -2.739 6.825 1.00 0.00 C ATOM 638 CG ARG A 118 1.803 -2.204 8.250 1.00 0.00 C ATOM 639 CD ARG A 118 3.093 -1.538 8.733 1.00 0.00 C ATOM 640 NE ARG A 118 4.142 -2.609 8.664 1.00 0.00 N ATOM 641 CZ ARG A 118 5.424 -2.327 8.796 1.00 0.00 C ATOM 642 NH1 ARG A 118 5.843 -1.092 8.940 1.00 0.00 N ATOM 643 NH2 ARG A 118 6.298 -3.297 8.765 1.00 0.00 N ATOM 0 H ARG A 118 2.499 -2.293 4.350 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.012 -2.404 6.052 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.860 -3.820 6.817 1.00 0.00 H new ATOM 0 HB3 ARG A 118 3.019 -2.546 6.497 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.983 -1.487 8.270 1.00 0.00 H new ATOM 0 HG3 ARG A 118 1.530 -3.019 8.920 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.357 -0.688 8.103 1.00 0.00 H new ATOM 0 HD3 ARG A 118 2.984 -1.160 9.749 1.00 0.00 H new ATOM 0 HE ARG A 118 3.857 -3.577 8.512 1.00 0.00 H new ATOM 0 HH11 ARG A 118 5.172 -0.324 8.952 1.00 0.00 H new ATOM 0 HH12 ARG A 118 6.840 -0.900 9.040 1.00 0.00 H new ATOM 0 HH21 ARG A 118 5.987 -4.260 8.640 1.00 0.00 H new ATOM 0 HH22 ARG A 118 7.292 -3.091 8.866 1.00 0.00 H new ATOM 657 N SER A 119 -0.115 0.013 6.303 1.00 0.00 N ATOM 658 CA SER A 119 -0.191 1.497 6.432 1.00 0.00 C ATOM 659 C SER A 119 0.190 1.919 7.846 1.00 0.00 C ATOM 660 O SER A 119 -0.417 1.491 8.816 1.00 0.00 O ATOM 661 CB SER A 119 -1.642 1.858 6.141 1.00 0.00 C ATOM 662 OG SER A 119 -1.778 3.271 6.140 1.00 0.00 O ATOM 0 H SER A 119 -0.985 -0.484 6.495 1.00 0.00 H new ATOM 0 HA SER A 119 0.493 2.002 5.750 1.00 0.00 H new ATOM 0 HB2 SER A 119 -1.945 1.450 5.176 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.297 1.418 6.893 1.00 0.00 H new ATOM 0 HG SER A 119 -2.710 3.510 5.952 1.00 0.00 H new ATOM 668 N LEU A 120 1.185 2.761 7.967 1.00 0.00 N ATOM 669 CA LEU A 120 1.614 3.229 9.317 1.00 0.00 C ATOM 670 C LEU A 120 0.549 4.172 9.895 1.00 0.00 C ATOM 671 O LEU A 120 0.409 4.300 11.096 1.00 0.00 O ATOM 672 CB LEU A 120 2.937 3.973 9.094 1.00 0.00 C ATOM 673 CG LEU A 120 3.970 3.036 8.447 1.00 0.00 C ATOM 674 CD1 LEU A 120 4.912 3.858 7.565 1.00 0.00 C ATOM 675 CD2 LEU A 120 4.793 2.336 9.533 1.00 0.00 C ATOM 0 H LEU A 120 1.719 3.144 7.187 1.00 0.00 H new ATOM 0 HA LEU A 120 1.738 2.407 10.022 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.772 4.841 8.455 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.318 4.345 10.045 1.00 0.00 H new ATOM 0 HG LEU A 120 3.449 2.289 7.848 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.647 3.198 7.104 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.337 4.360 6.787 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.425 4.602 8.175 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.523 1.674 9.067 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.312 3.083 10.134 1.00 0.00 H new ATOM 0 HD23 LEU A 120 4.130 1.753 10.172 1.00 0.00 H new ATOM 687 N ALA A 121 -0.210 4.826 9.042 1.00 0.00 N ATOM 688 CA ALA A 121 -1.284 5.757 9.529 1.00 0.00 C ATOM 689 C ALA A 121 -2.197 5.038 10.535 1.00 0.00 C ATOM 690 O ALA A 121 -2.695 5.632 11.473 1.00 0.00 O ATOM 691 CB ALA A 121 -2.071 6.141 8.272 1.00 0.00 C ATOM 0 H ALA A 121 -0.132 4.755 8.028 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.875 6.629 10.040 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.878 6.823 8.542 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.405 6.630 7.561 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.491 5.244 7.817 1.00 0.00 H new ATOM 697 N THR A 122 -2.396 3.757 10.350 1.00 0.00 N ATOM 698 CA THR A 122 -3.249 2.972 11.295 1.00 0.00 C ATOM 699 C THR A 122 -2.562 1.646 11.659 1.00 0.00 C ATOM 700 O THR A 122 -3.168 0.779 12.257 1.00 0.00 O ATOM 701 CB THR A 122 -4.551 2.687 10.540 1.00 0.00 C ATOM 702 OG1 THR A 122 -4.249 2.306 9.207 1.00 0.00 O ATOM 703 CG2 THR A 122 -5.438 3.934 10.532 1.00 0.00 C ATOM 0 H THR A 122 -2.001 3.217 9.580 1.00 0.00 H new ATOM 0 HA THR A 122 -3.424 3.519 12.222 1.00 0.00 H new ATOM 0 HB THR A 122 -5.085 1.878 11.039 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.081 2.122 8.723 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.361 3.721 9.993 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.674 4.219 11.557 1.00 0.00 H new ATOM 0 HG23 THR A 122 -4.911 4.752 10.040 1.00 0.00 H new ATOM 711 N ARG A 123 -1.304 1.472 11.296 1.00 0.00 N ATOM 712 CA ARG A 123 -0.580 0.193 11.606 1.00 0.00 C ATOM 713 C ARG A 123 -1.365 -1.009 11.080 1.00 0.00 C ATOM 714 O ARG A 123 -1.323 -2.084 11.651 1.00 0.00 O ATOM 715 CB ARG A 123 -0.473 0.116 13.130 1.00 0.00 C ATOM 716 CG ARG A 123 0.468 1.208 13.639 1.00 0.00 C ATOM 717 CD ARG A 123 1.920 0.768 13.431 1.00 0.00 C ATOM 718 NE ARG A 123 2.252 -0.040 14.649 1.00 0.00 N ATOM 719 CZ ARG A 123 3.369 -0.734 14.731 1.00 0.00 C ATOM 720 NH1 ARG A 123 4.267 -0.716 13.770 1.00 0.00 N ATOM 721 NH2 ARG A 123 3.591 -1.446 15.801 1.00 0.00 N ATOM 0 H ARG A 123 -0.749 2.166 10.796 1.00 0.00 H new ATOM 0 HA ARG A 123 0.402 0.177 11.133 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.459 0.234 13.579 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -0.102 -0.865 13.429 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.280 2.141 13.108 1.00 0.00 H new ATOM 0 HG3 ARG A 123 0.283 1.399 14.696 1.00 0.00 H new ATOM 0 HD2 ARG A 123 2.028 0.176 12.522 1.00 0.00 H new ATOM 0 HD3 ARG A 123 2.584 1.627 13.333 1.00 0.00 H new ATOM 0 HE ARG A 123 1.598 -0.053 15.432 1.00 0.00 H new ATOM 0 HH11 ARG A 123 4.108 -0.154 12.934 1.00 0.00 H new ATOM 0 HH12 ARG A 123 5.123 -1.264 13.861 1.00 0.00 H new ATOM 0 HH21 ARG A 123 2.906 -1.459 16.556 1.00 0.00 H new ATOM 0 HH22 ARG A 123 4.450 -1.990 15.883 1.00 0.00 H new ATOM 735 N LYS A 124 -2.074 -0.839 9.993 1.00 0.00 N ATOM 736 CA LYS A 124 -2.860 -1.977 9.428 1.00 0.00 C ATOM 737 C LYS A 124 -2.161 -2.539 8.198 1.00 0.00 C ATOM 738 O LYS A 124 -1.111 -2.074 7.813 1.00 0.00 O ATOM 739 CB LYS A 124 -4.205 -1.381 9.024 1.00 0.00 C ATOM 740 CG LYS A 124 -5.033 -1.075 10.271 1.00 0.00 C ATOM 741 CD LYS A 124 -6.482 -0.802 9.858 1.00 0.00 C ATOM 742 CE LYS A 124 -7.424 -1.186 11.004 1.00 0.00 C ATOM 743 NZ LYS A 124 -8.790 -1.183 10.403 1.00 0.00 N ATOM 0 H LYS A 124 -2.142 0.036 9.474 1.00 0.00 H new ATOM 0 HA LYS A 124 -2.967 -2.789 10.148 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.050 -0.469 8.447 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -4.743 -2.078 8.381 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -4.992 -1.915 10.965 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.622 -0.211 10.792 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -6.607 0.252 9.608 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -6.730 -1.373 8.963 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -7.173 -2.167 11.408 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -7.354 -0.475 11.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -9.489 -1.437 11.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -9.004 -0.235 10.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -8.829 -1.875 9.627 1.00 0.00 H new ATOM 757 N GLU A 125 -2.749 -3.521 7.563 1.00 0.00 N ATOM 758 CA GLU A 125 -2.116 -4.099 6.336 1.00 0.00 C ATOM 759 C GLU A 125 -3.158 -4.747 5.425 1.00 0.00 C ATOM 760 O GLU A 125 -4.072 -5.414 5.868 1.00 0.00 O ATOM 761 CB GLU A 125 -1.062 -5.139 6.784 1.00 0.00 C ATOM 762 CG GLU A 125 -1.445 -5.834 8.101 1.00 0.00 C ATOM 763 CD GLU A 125 -2.738 -6.629 7.911 1.00 0.00 C ATOM 764 OE1 GLU A 125 -2.652 -7.760 7.456 1.00 0.00 O ATOM 765 OE2 GLU A 125 -3.790 -6.099 8.226 1.00 0.00 O ATOM 0 H GLU A 125 -3.634 -3.946 7.838 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.642 -3.304 5.761 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -0.941 -5.889 6.003 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -0.097 -4.646 6.904 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.642 -6.499 8.419 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.576 -5.093 8.889 1.00 0.00 H new ATOM 772 N GLY A 126 -3.004 -4.555 4.141 1.00 0.00 N ATOM 773 CA GLY A 126 -3.954 -5.156 3.170 1.00 0.00 C ATOM 774 C GLY A 126 -3.408 -5.003 1.752 1.00 0.00 C ATOM 775 O GLY A 126 -2.219 -4.858 1.550 1.00 0.00 O ATOM 0 H GLY A 126 -2.254 -4.003 3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -4.105 -6.211 3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.926 -4.670 3.250 1.00 0.00 H new ATOM 779 N TYR A 127 -4.272 -5.034 0.772 1.00 0.00 N ATOM 780 CA TYR A 127 -3.826 -4.915 -0.652 1.00 0.00 C ATOM 781 C TYR A 127 -3.884 -3.461 -1.116 1.00 0.00 C ATOM 782 O TYR A 127 -4.614 -2.651 -0.578 1.00 0.00 O ATOM 783 CB TYR A 127 -4.840 -5.722 -1.475 1.00 0.00 C ATOM 784 CG TYR A 127 -4.977 -7.126 -0.944 1.00 0.00 C ATOM 785 CD1 TYR A 127 -3.911 -8.025 -1.046 1.00 0.00 C ATOM 786 CD2 TYR A 127 -6.177 -7.527 -0.353 1.00 0.00 C ATOM 787 CE1 TYR A 127 -4.045 -9.328 -0.553 1.00 0.00 C ATOM 788 CE2 TYR A 127 -6.315 -8.826 0.142 1.00 0.00 C ATOM 789 CZ TYR A 127 -5.247 -9.730 0.043 1.00 0.00 C ATOM 790 OH TYR A 127 -5.380 -11.013 0.530 1.00 0.00 O ATOM 0 H TYR A 127 -5.279 -5.138 0.897 1.00 0.00 H new ATOM 0 HA TYR A 127 -2.802 -5.271 -0.766 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.810 -5.225 -1.451 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -4.524 -5.754 -2.518 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -2.984 -7.714 -1.505 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -7.000 -6.832 -0.278 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.222 -10.023 -0.632 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -7.243 -9.134 0.600 1.00 0.00 H new ATOM 0 HH TYR A 127 -6.275 -11.127 0.912 1.00 0.00 H new ATOM 800 N ILE A 128 -3.131 -3.144 -2.134 1.00 0.00 N ATOM 801 CA ILE A 128 -3.130 -1.754 -2.680 1.00 0.00 C ATOM 802 C ILE A 128 -2.688 -1.777 -4.153 1.00 0.00 C ATOM 803 O ILE A 128 -1.542 -2.054 -4.438 1.00 0.00 O ATOM 804 CB ILE A 128 -2.128 -0.946 -1.840 1.00 0.00 C ATOM 805 CG1 ILE A 128 -0.797 -1.711 -1.709 1.00 0.00 C ATOM 806 CG2 ILE A 128 -2.714 -0.685 -0.451 1.00 0.00 C ATOM 807 CD1 ILE A 128 0.376 -0.752 -1.931 1.00 0.00 C ATOM 0 H ILE A 128 -2.510 -3.794 -2.616 1.00 0.00 H new ATOM 0 HA ILE A 128 -4.124 -1.309 -2.632 1.00 0.00 H new ATOM 0 HB ILE A 128 -1.937 0.004 -2.338 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -0.724 -2.167 -0.721 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -0.759 -2.521 -2.437 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -2.002 -0.112 0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -3.642 -0.122 -0.548 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -2.916 -1.635 0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.315 -1.298 -1.837 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.307 -0.317 -2.928 1.00 0.00 H new ATOM 0 HD13 ILE A 128 0.342 0.043 -1.186 1.00 0.00 H new ATOM 819 N PRO A 129 -3.601 -1.491 -5.061 1.00 0.00 N ATOM 820 CA PRO A 129 -3.247 -1.487 -6.512 1.00 0.00 C ATOM 821 C PRO A 129 -1.964 -0.671 -6.760 1.00 0.00 C ATOM 822 O PRO A 129 -1.976 0.544 -6.754 1.00 0.00 O ATOM 823 CB PRO A 129 -4.455 -0.831 -7.173 1.00 0.00 C ATOM 824 CG PRO A 129 -5.596 -1.071 -6.234 1.00 0.00 C ATOM 825 CD PRO A 129 -5.018 -1.151 -4.845 1.00 0.00 C ATOM 0 HA PRO A 129 -3.043 -2.483 -6.905 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -4.289 0.235 -7.326 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -4.653 -1.267 -8.152 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -6.326 -0.265 -6.301 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -6.116 -1.994 -6.488 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -5.124 -0.205 -4.315 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -5.523 -1.910 -4.247 1.00 0.00 H new ATOM 833 N SER A 130 -0.860 -1.348 -6.962 1.00 0.00 N ATOM 834 CA SER A 130 0.442 -0.638 -7.188 1.00 0.00 C ATOM 835 C SER A 130 0.393 0.228 -8.456 1.00 0.00 C ATOM 836 O SER A 130 1.240 1.080 -8.655 1.00 0.00 O ATOM 837 CB SER A 130 1.492 -1.752 -7.327 1.00 0.00 C ATOM 838 OG SER A 130 1.147 -2.840 -6.478 1.00 0.00 O ATOM 0 H SER A 130 -0.803 -2.366 -6.980 1.00 0.00 H new ATOM 0 HA SER A 130 0.674 0.042 -6.368 1.00 0.00 H new ATOM 0 HB2 SER A 130 1.546 -2.088 -8.362 1.00 0.00 H new ATOM 0 HB3 SER A 130 2.479 -1.371 -7.064 1.00 0.00 H new ATOM 0 HG SER A 130 1.827 -3.542 -6.553 1.00 0.00 H new ATOM 844 N ASN A 131 -0.580 0.022 -9.316 1.00 0.00 N ATOM 845 CA ASN A 131 -0.665 0.844 -10.568 1.00 0.00 C ATOM 846 C ASN A 131 -0.925 2.330 -10.251 1.00 0.00 C ATOM 847 O ASN A 131 -0.813 3.178 -11.115 1.00 0.00 O ATOM 848 CB ASN A 131 -1.832 0.242 -11.366 1.00 0.00 C ATOM 849 CG ASN A 131 -3.130 0.304 -10.549 1.00 0.00 C ATOM 850 OD1 ASN A 131 -3.264 1.108 -9.649 1.00 0.00 O ATOM 851 ND2 ASN A 131 -4.101 -0.521 -10.829 1.00 0.00 N ATOM 0 H ASN A 131 -1.315 -0.676 -9.205 1.00 0.00 H new ATOM 0 HA ASN A 131 0.270 0.818 -11.127 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -1.958 0.785 -12.303 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -1.608 -0.793 -11.625 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -4.968 -0.489 -10.293 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -3.993 -1.198 -11.584 1.00 0.00 H new ATOM 858 N TYR A 132 -1.260 2.651 -9.022 1.00 0.00 N ATOM 859 CA TYR A 132 -1.516 4.079 -8.645 1.00 0.00 C ATOM 860 C TYR A 132 -0.713 4.413 -7.387 1.00 0.00 C ATOM 861 O TYR A 132 -1.220 5.013 -6.457 1.00 0.00 O ATOM 862 CB TYR A 132 -3.013 4.133 -8.340 1.00 0.00 C ATOM 863 CG TYR A 132 -3.779 4.410 -9.613 1.00 0.00 C ATOM 864 CD1 TYR A 132 -3.544 5.588 -10.335 1.00 0.00 C ATOM 865 CD2 TYR A 132 -4.724 3.487 -10.074 1.00 0.00 C ATOM 866 CE1 TYR A 132 -4.256 5.841 -11.514 1.00 0.00 C ATOM 867 CE2 TYR A 132 -5.434 3.739 -11.252 1.00 0.00 C ATOM 868 CZ TYR A 132 -5.200 4.915 -11.973 1.00 0.00 C ATOM 869 OH TYR A 132 -5.901 5.164 -13.135 1.00 0.00 O ATOM 0 H TYR A 132 -1.367 1.981 -8.260 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.229 4.786 -9.424 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -3.340 3.189 -7.905 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -3.217 4.911 -7.604 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -2.814 6.301 -9.982 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -4.905 2.578 -9.519 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -4.077 6.750 -12.069 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -6.163 3.025 -11.606 1.00 0.00 H new ATOM 0 HH TYR A 132 -6.515 4.421 -13.312 1.00 0.00 H new ATOM 879 N VAL A 133 0.523 3.986 -7.335 1.00 0.00 N ATOM 880 CA VAL A 133 1.348 4.230 -6.116 1.00 0.00 C ATOM 881 C VAL A 133 2.822 4.459 -6.497 1.00 0.00 C ATOM 882 O VAL A 133 3.216 4.260 -7.630 1.00 0.00 O ATOM 883 CB VAL A 133 1.178 2.931 -5.305 1.00 0.00 C ATOM 884 CG1 VAL A 133 1.939 3.016 -3.988 1.00 0.00 C ATOM 885 CG2 VAL A 133 -0.305 2.700 -4.991 1.00 0.00 C ATOM 0 H VAL A 133 0.995 3.479 -8.084 1.00 0.00 H new ATOM 0 HA VAL A 133 1.044 5.117 -5.560 1.00 0.00 H new ATOM 0 HB VAL A 133 1.571 2.108 -5.902 1.00 0.00 H new ATOM 0 HG11 VAL A 133 1.806 2.089 -3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 133 2.999 3.169 -4.190 1.00 0.00 H new ATOM 0 HG13 VAL A 133 1.557 3.851 -3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -0.416 1.780 -4.418 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -0.689 3.538 -4.410 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -0.865 2.617 -5.922 1.00 0.00 H new ATOM 895 N ALA A 134 3.631 4.867 -5.553 1.00 0.00 N ATOM 896 CA ALA A 134 5.084 5.098 -5.833 1.00 0.00 C ATOM 897 C ALA A 134 5.926 4.259 -4.868 1.00 0.00 C ATOM 898 O ALA A 134 5.747 4.325 -3.668 1.00 0.00 O ATOM 899 CB ALA A 134 5.316 6.592 -5.589 1.00 0.00 C ATOM 0 H ALA A 134 3.346 5.052 -4.591 1.00 0.00 H new ATOM 0 HA ALA A 134 5.363 4.814 -6.848 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.362 6.833 -5.776 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.684 7.173 -6.261 1.00 0.00 H new ATOM 0 HB3 ALA A 134 5.067 6.835 -4.556 1.00 0.00 H new ATOM 905 N ARG A 135 6.821 3.451 -5.382 1.00 0.00 N ATOM 906 CA ARG A 135 7.648 2.585 -4.505 1.00 0.00 C ATOM 907 C ARG A 135 9.014 3.209 -4.181 1.00 0.00 C ATOM 908 O ARG A 135 9.820 3.464 -5.055 1.00 0.00 O ATOM 909 CB ARG A 135 7.830 1.305 -5.320 1.00 0.00 C ATOM 910 CG ARG A 135 8.619 0.283 -4.501 1.00 0.00 C ATOM 911 CD ARG A 135 7.966 -1.097 -4.624 1.00 0.00 C ATOM 912 NE ARG A 135 9.024 -2.077 -4.213 1.00 0.00 N ATOM 913 CZ ARG A 135 8.732 -3.340 -3.971 1.00 0.00 C ATOM 914 NH1 ARG A 135 7.500 -3.786 -4.044 1.00 0.00 N ATOM 915 NH2 ARG A 135 9.689 -4.164 -3.647 1.00 0.00 N ATOM 0 H ARG A 135 7.011 3.358 -6.380 1.00 0.00 H new ATOM 0 HA ARG A 135 7.171 2.424 -3.538 1.00 0.00 H new ATOM 0 HB2 ARG A 135 6.858 0.895 -5.593 1.00 0.00 H new ATOM 0 HB3 ARG A 135 8.356 1.525 -6.249 1.00 0.00 H new ATOM 0 HG2 ARG A 135 9.650 0.240 -4.852 1.00 0.00 H new ATOM 0 HG3 ARG A 135 8.651 0.588 -3.455 1.00 0.00 H new ATOM 0 HD2 ARG A 135 7.088 -1.175 -3.983 1.00 0.00 H new ATOM 0 HD3 ARG A 135 7.632 -1.284 -5.645 1.00 0.00 H new ATOM 0 HE ARG A 135 9.989 -1.760 -4.119 1.00 0.00 H new ATOM 0 HH11 ARG A 135 6.742 -3.151 -4.293 1.00 0.00 H new ATOM 0 HH12 ARG A 135 7.301 -4.768 -3.852 1.00 0.00 H new ATOM 0 HH21 ARG A 135 10.650 -3.829 -3.583 1.00 0.00 H new ATOM 0 HH22 ARG A 135 9.476 -5.143 -3.457 1.00 0.00 H new