USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 387 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 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 106 SER OG : rot 180:sc= 0.00234 USER MOD Single : A 107 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.56) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 SER OG : rot 54:sc= 1.03 USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 89 10.896 8.739 0.057 1.00 0.00 N ATOM 21 CA ASP A 89 12.010 7.798 0.025 1.00 0.00 C ATOM 22 C ASP A 89 11.595 6.487 -0.636 1.00 0.00 C ATOM 23 O ASP A 89 10.517 5.958 -0.365 1.00 0.00 O ATOM 24 CB ASP A 89 12.520 7.531 1.441 1.00 0.00 C ATOM 25 CG ASP A 89 14.027 7.371 1.493 1.00 0.00 C ATOM 26 OD1 ASP A 89 14.739 8.360 1.219 1.00 0.00 O ATOM 27 OD2 ASP A 89 14.494 6.257 1.808 1.00 0.00 O ATOM 0 HA ASP A 89 12.813 8.242 -0.564 1.00 0.00 H new ATOM 0 HB2 ASP A 89 12.222 8.353 2.092 1.00 0.00 H new ATOM 0 HB3 ASP A 89 12.048 6.629 1.830 1.00 0.00 H new ATOM 32 N VAL A 90 12.458 5.969 -1.503 1.00 0.00 N ATOM 33 CA VAL A 90 12.181 4.720 -2.204 1.00 0.00 C ATOM 34 C VAL A 90 12.055 3.558 -1.224 1.00 0.00 C ATOM 35 O VAL A 90 11.331 2.594 -1.478 1.00 0.00 O ATOM 36 CB VAL A 90 13.284 4.395 -3.228 1.00 0.00 C ATOM 37 CG1 VAL A 90 12.941 3.129 -3.999 1.00 0.00 C ATOM 38 CG2 VAL A 90 13.490 5.566 -4.178 1.00 0.00 C ATOM 0 H VAL A 90 13.355 6.394 -1.737 1.00 0.00 H new ATOM 0 HA VAL A 90 11.236 4.854 -2.730 1.00 0.00 H new ATOM 0 HB VAL A 90 14.216 4.223 -2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.732 2.915 -4.718 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.847 2.294 -3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 90 11.998 3.269 -4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.273 5.319 -4.895 1.00 0.00 H new ATOM 0 HG22 VAL A 90 12.561 5.770 -4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 90 13.784 6.448 -3.609 1.00 0.00 H new ATOM 48 N LEU A 91 12.763 3.656 -0.105 1.00 0.00 N ATOM 49 CA LEU A 91 12.730 2.613 0.914 1.00 0.00 C ATOM 50 C LEU A 91 11.358 2.543 1.578 1.00 0.00 C ATOM 51 O LEU A 91 10.769 1.469 1.697 1.00 0.00 O ATOM 52 CB LEU A 91 13.807 2.869 1.969 1.00 0.00 C ATOM 53 CG LEU A 91 14.646 1.658 2.380 1.00 0.00 C ATOM 54 CD1 LEU A 91 15.585 1.254 1.254 1.00 0.00 C ATOM 55 CD2 LEU A 91 15.430 1.958 3.650 1.00 0.00 C ATOM 0 H LEU A 91 13.367 4.447 0.120 1.00 0.00 H new ATOM 0 HA LEU A 91 12.927 1.658 0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 91 14.479 3.641 1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 91 13.326 3.272 2.860 1.00 0.00 H new ATOM 0 HG LEU A 91 13.973 0.825 2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 91 16.174 0.391 1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.003 0.997 0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 91 16.252 2.084 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 91 16.021 1.085 3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 91 16.093 2.805 3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.738 2.199 4.457 1.00 0.00 H new ATOM 67 N ARG A 92 10.854 3.696 2.005 1.00 0.00 N ATOM 68 CA ARG A 92 9.551 3.767 2.656 1.00 0.00 C ATOM 69 C ARG A 92 8.446 3.306 1.710 1.00 0.00 C ATOM 70 O ARG A 92 7.466 2.695 2.136 1.00 0.00 O ATOM 71 CB ARG A 92 9.270 5.194 3.130 1.00 0.00 C ATOM 72 CG ARG A 92 9.830 5.499 4.509 1.00 0.00 C ATOM 73 CD ARG A 92 9.060 6.622 5.187 1.00 0.00 C ATOM 74 NE ARG A 92 9.860 7.836 5.314 1.00 0.00 N ATOM 75 CZ ARG A 92 9.367 9.004 5.711 1.00 0.00 C ATOM 76 NH1 ARG A 92 8.082 9.114 6.018 1.00 0.00 N ATOM 77 NH2 ARG A 92 10.159 10.064 5.801 1.00 0.00 N ATOM 0 H ARG A 92 11.328 4.594 1.912 1.00 0.00 H new ATOM 0 HA ARG A 92 9.567 3.102 3.520 1.00 0.00 H new ATOM 0 HB2 ARG A 92 9.693 5.896 2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 92 8.193 5.359 3.140 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.787 4.602 5.127 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.880 5.777 4.423 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.159 6.840 4.614 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.738 6.295 6.176 1.00 0.00 H new ATOM 0 HE ARG A 92 10.853 7.785 5.085 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.470 8.301 5.950 1.00 0.00 H new ATOM 0 HH12 ARG A 92 7.705 10.012 6.323 1.00 0.00 H new ATOM 0 HH21 ARG A 92 11.148 9.983 5.565 1.00 0.00 H new ATOM 0 HH22 ARG A 92 9.779 10.960 6.106 1.00 0.00 H new ATOM 91 N ALA A 93 8.611 3.603 0.426 1.00 0.00 N ATOM 92 CA ALA A 93 7.629 3.218 -0.579 1.00 0.00 C ATOM 93 C ALA A 93 7.562 1.702 -0.730 1.00 0.00 C ATOM 94 O ALA A 93 6.480 1.126 -0.838 1.00 0.00 O ATOM 95 CB ALA A 93 7.958 3.869 -1.914 1.00 0.00 C ATOM 0 H ALA A 93 9.416 4.109 0.057 1.00 0.00 H new ATOM 0 HA ALA A 93 6.651 3.567 -0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.216 3.573 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.947 4.953 -1.803 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.947 3.548 -2.241 1.00 0.00 H new ATOM 101 N LYS A 94 8.726 1.061 -0.735 1.00 0.00 N ATOM 102 CA LYS A 94 8.801 -0.388 -0.872 1.00 0.00 C ATOM 103 C LYS A 94 8.129 -1.082 0.309 1.00 0.00 C ATOM 104 O LYS A 94 7.263 -1.936 0.128 1.00 0.00 O ATOM 105 CB LYS A 94 10.260 -0.837 -0.978 1.00 0.00 C ATOM 106 CG LYS A 94 10.421 -2.305 -1.329 1.00 0.00 C ATOM 107 CD LYS A 94 11.079 -2.485 -2.687 1.00 0.00 C ATOM 108 CE LYS A 94 10.480 -3.660 -3.445 1.00 0.00 C ATOM 109 NZ LYS A 94 10.642 -3.510 -4.918 1.00 0.00 N ATOM 0 H LYS A 94 9.631 1.523 -0.646 1.00 0.00 H new ATOM 0 HA LYS A 94 8.274 -0.669 -1.784 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.763 -0.234 -1.734 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.761 -0.642 -0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.021 -2.799 -0.565 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.444 -2.789 -1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.961 -1.574 -3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.149 -2.643 -2.556 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.958 -4.584 -3.119 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.421 -3.746 -3.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.221 -4.330 -5.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.165 -2.641 -5.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.654 -3.453 -5.152 1.00 0.00 H new ATOM 123 N ALA A 95 8.534 -0.706 1.517 1.00 0.00 N ATOM 124 CA ALA A 95 7.969 -1.290 2.727 1.00 0.00 C ATOM 125 C ALA A 95 6.450 -1.155 2.744 1.00 0.00 C ATOM 126 O ALA A 95 5.736 -2.112 3.038 1.00 0.00 O ATOM 127 CB ALA A 95 8.573 -0.634 3.960 1.00 0.00 C ATOM 0 H ALA A 95 9.251 0.000 1.684 1.00 0.00 H new ATOM 0 HA ALA A 95 8.213 -2.352 2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.142 -1.079 4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.652 -0.786 3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.358 0.434 3.946 1.00 0.00 H new ATOM 133 N ALA A 96 5.963 0.041 2.427 1.00 0.00 N ATOM 134 CA ALA A 96 4.529 0.300 2.405 1.00 0.00 C ATOM 135 C ALA A 96 3.809 -0.679 1.483 1.00 0.00 C ATOM 136 O ALA A 96 2.783 -1.252 1.850 1.00 0.00 O ATOM 137 CB ALA A 96 4.259 1.733 1.970 1.00 0.00 C ATOM 0 H ALA A 96 6.541 0.845 2.182 1.00 0.00 H new ATOM 0 HA ALA A 96 4.143 0.159 3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.184 1.913 1.958 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.734 2.421 2.669 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.665 1.893 0.971 1.00 0.00 H new ATOM 143 N LYS A 97 4.352 -0.866 0.286 1.00 0.00 N ATOM 144 CA LYS A 97 3.761 -1.776 -0.688 1.00 0.00 C ATOM 145 C LYS A 97 3.700 -3.197 -0.137 1.00 0.00 C ATOM 146 O LYS A 97 2.753 -3.936 -0.408 1.00 0.00 O ATOM 147 CB LYS A 97 4.568 -1.756 -1.989 1.00 0.00 C ATOM 148 CG LYS A 97 3.828 -2.355 -3.173 1.00 0.00 C ATOM 149 CD LYS A 97 4.776 -3.078 -4.115 1.00 0.00 C ATOM 150 CE LYS A 97 5.062 -4.494 -3.640 1.00 0.00 C ATOM 151 NZ LYS A 97 6.143 -5.138 -4.436 1.00 0.00 N ATOM 0 H LYS A 97 5.201 -0.400 -0.034 1.00 0.00 H new ATOM 0 HA LYS A 97 2.744 -1.441 -0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.838 -0.726 -2.223 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.498 -2.303 -1.838 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.069 -3.050 -2.815 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.307 -1.566 -3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.343 -3.109 -5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.711 -2.522 -4.189 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.348 -4.473 -2.588 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.153 -5.092 -3.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 6.308 -6.102 -4.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.860 -5.181 -5.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 7.017 -4.582 -4.348 1.00 0.00 H new ATOM 165 N GLU A 98 4.714 -3.572 0.635 1.00 0.00 N ATOM 166 CA GLU A 98 4.773 -4.904 1.224 1.00 0.00 C ATOM 167 C GLU A 98 3.640 -5.108 2.225 1.00 0.00 C ATOM 168 O GLU A 98 3.007 -6.164 2.257 1.00 0.00 O ATOM 169 CB GLU A 98 6.122 -5.123 1.912 1.00 0.00 C ATOM 170 CG GLU A 98 6.958 -6.223 1.279 1.00 0.00 C ATOM 171 CD GLU A 98 7.789 -5.725 0.113 1.00 0.00 C ATOM 172 OE1 GLU A 98 7.326 -4.809 -0.598 1.00 0.00 O ATOM 173 OE2 GLU A 98 8.903 -6.253 -0.088 1.00 0.00 O ATOM 0 H GLU A 98 5.506 -2.972 0.867 1.00 0.00 H new ATOM 0 HA GLU A 98 4.660 -5.633 0.421 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.687 -4.191 1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 98 5.950 -5.367 2.960 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.617 -6.653 2.033 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.301 -7.023 0.937 1.00 0.00 H new ATOM 180 N ARG A 99 3.390 -4.089 3.041 1.00 0.00 N ATOM 181 CA ARG A 99 2.334 -4.156 4.045 1.00 0.00 C ATOM 182 C ARG A 99 0.981 -4.424 3.393 1.00 0.00 C ATOM 183 O ARG A 99 0.228 -5.290 3.837 1.00 0.00 O ATOM 184 CB ARG A 99 2.279 -2.853 4.845 1.00 0.00 C ATOM 185 CG ARG A 99 2.720 -3.008 6.291 1.00 0.00 C ATOM 186 CD ARG A 99 1.528 -3.046 7.235 1.00 0.00 C ATOM 187 NE ARG A 99 1.848 -3.718 8.493 1.00 0.00 N ATOM 188 CZ ARG A 99 0.993 -3.831 9.504 1.00 0.00 C ATOM 189 NH1 ARG A 99 -0.226 -3.319 9.405 1.00 0.00 N ATOM 190 NH2 ARG A 99 1.358 -4.457 10.615 1.00 0.00 N ATOM 0 H ARG A 99 3.904 -3.208 3.027 1.00 0.00 H new ATOM 0 HA ARG A 99 2.561 -4.980 4.722 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.912 -2.111 4.358 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.260 -2.466 4.824 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.301 -3.924 6.399 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.375 -2.181 6.564 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.196 -2.028 7.442 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.698 -3.560 6.750 1.00 0.00 H new ATOM 0 HE ARG A 99 2.778 -4.122 8.601 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.509 -2.837 8.552 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.881 -3.407 10.182 1.00 0.00 H new ATOM 0 HH21 ARG A 99 2.295 -4.852 10.694 1.00 0.00 H new ATOM 0 HH22 ARG A 99 0.701 -4.544 11.391 1.00 0.00 H new ATOM 204 N ALA A 100 0.678 -3.672 2.340 1.00 0.00 N ATOM 205 CA ALA A 100 -0.583 -3.829 1.627 1.00 0.00 C ATOM 206 C ALA A 100 -0.741 -5.250 1.096 1.00 0.00 C ATOM 207 O ALA A 100 -1.815 -5.843 1.195 1.00 0.00 O ATOM 208 CB ALA A 100 -0.674 -2.825 0.487 1.00 0.00 C ATOM 0 H ALA A 100 1.289 -2.948 1.962 1.00 0.00 H new ATOM 0 HA ALA A 100 -1.394 -3.639 2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.621 -2.954 -0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.616 -1.813 0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.150 -2.988 -0.208 1.00 0.00 H new ATOM 214 N GLU A 101 0.335 -5.789 0.532 1.00 0.00 N ATOM 215 CA GLU A 101 0.314 -7.140 -0.015 1.00 0.00 C ATOM 216 C GLU A 101 -0.119 -8.150 1.043 1.00 0.00 C ATOM 217 O GLU A 101 -0.988 -8.987 0.799 1.00 0.00 O ATOM 218 CB GLU A 101 1.695 -7.516 -0.559 1.00 0.00 C ATOM 219 CG GLU A 101 1.861 -7.236 -2.043 1.00 0.00 C ATOM 220 CD GLU A 101 1.739 -8.488 -2.889 1.00 0.00 C ATOM 221 OE1 GLU A 101 2.750 -9.207 -3.032 1.00 0.00 O ATOM 222 OE2 GLU A 101 0.635 -8.748 -3.409 1.00 0.00 O ATOM 0 H GLU A 101 1.232 -5.311 0.442 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.409 -7.162 -0.831 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.456 -6.965 -0.006 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.872 -8.576 -0.376 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.109 -6.513 -2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.835 -6.778 -2.216 1.00 0.00 H new ATOM 229 N ARG A 102 0.494 -8.065 2.219 1.00 0.00 N ATOM 230 CA ARG A 102 0.173 -8.972 3.315 1.00 0.00 C ATOM 231 C ARG A 102 -1.257 -8.753 3.801 1.00 0.00 C ATOM 232 O ARG A 102 -1.969 -9.706 4.115 1.00 0.00 O ATOM 233 CB ARG A 102 1.153 -8.773 4.473 1.00 0.00 C ATOM 234 CG ARG A 102 2.193 -9.876 4.587 1.00 0.00 C ATOM 235 CD ARG A 102 2.096 -10.597 5.923 1.00 0.00 C ATOM 236 NE ARG A 102 3.220 -11.505 6.137 1.00 0.00 N ATOM 237 CZ ARG A 102 3.537 -12.014 7.322 1.00 0.00 C ATOM 238 NH1 ARG A 102 2.819 -11.705 8.394 1.00 0.00 N ATOM 239 NH2 ARG A 102 4.574 -12.833 7.438 1.00 0.00 N ATOM 0 H ARG A 102 1.215 -7.378 2.437 1.00 0.00 H new ATOM 0 HA ARG A 102 0.260 -9.994 2.946 1.00 0.00 H new ATOM 0 HB2 ARG A 102 1.662 -7.817 4.347 1.00 0.00 H new ATOM 0 HB3 ARG A 102 0.593 -8.716 5.406 1.00 0.00 H new ATOM 0 HG2 ARG A 102 2.057 -10.591 3.776 1.00 0.00 H new ATOM 0 HG3 ARG A 102 3.190 -9.451 4.473 1.00 0.00 H new ATOM 0 HD2 ARG A 102 2.063 -9.864 6.729 1.00 0.00 H new ATOM 0 HD3 ARG A 102 1.163 -11.159 5.965 1.00 0.00 H new ATOM 0 HE ARG A 102 3.792 -11.762 5.333 1.00 0.00 H new ATOM 0 HH11 ARG A 102 2.021 -11.075 8.309 1.00 0.00 H new ATOM 0 HH12 ARG A 102 3.065 -12.097 9.303 1.00 0.00 H new ATOM 0 HH21 ARG A 102 5.129 -13.073 6.616 1.00 0.00 H new ATOM 0 HH22 ARG A 102 4.816 -13.223 8.349 1.00 0.00 H new ATOM 253 N ARG A 103 -1.669 -7.491 3.863 1.00 0.00 N ATOM 254 CA ARG A 103 -3.012 -7.146 4.311 1.00 0.00 C ATOM 255 C ARG A 103 -4.066 -7.764 3.397 1.00 0.00 C ATOM 256 O ARG A 103 -5.075 -8.294 3.865 1.00 0.00 O ATOM 257 CB ARG A 103 -3.185 -5.627 4.354 1.00 0.00 C ATOM 258 CG ARG A 103 -2.579 -4.979 5.588 1.00 0.00 C ATOM 259 CD ARG A 103 -2.406 -3.480 5.402 1.00 0.00 C ATOM 260 NE ARG A 103 -2.655 -2.742 6.637 1.00 0.00 N ATOM 261 CZ ARG A 103 -2.864 -1.431 6.682 1.00 0.00 C ATOM 262 NH1 ARG A 103 -2.854 -0.717 5.565 1.00 0.00 N ATOM 263 NH2 ARG A 103 -3.083 -0.832 7.845 1.00 0.00 N ATOM 0 H ARG A 103 -1.091 -6.690 3.608 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.147 -7.548 5.315 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -2.728 -5.193 3.465 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.248 -5.390 4.315 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -3.218 -5.168 6.451 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.612 -5.434 5.802 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -1.394 -3.273 5.054 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.088 -3.130 4.627 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.669 -3.262 7.514 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.686 -1.174 4.669 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -3.015 0.290 5.602 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.091 -1.378 8.706 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -3.243 0.175 7.878 1.00 0.00 H new ATOM 277 N LEU A 104 -3.827 -7.691 2.093 1.00 0.00 N ATOM 278 CA LEU A 104 -4.755 -8.243 1.112 1.00 0.00 C ATOM 279 C LEU A 104 -4.990 -9.729 1.361 1.00 0.00 C ATOM 280 O LEU A 104 -6.086 -10.240 1.133 1.00 0.00 O ATOM 281 CB LEU A 104 -4.219 -8.029 -0.303 1.00 0.00 C ATOM 282 CG LEU A 104 -5.195 -7.411 -1.305 1.00 0.00 C ATOM 283 CD1 LEU A 104 -5.255 -5.901 -1.129 1.00 0.00 C ATOM 284 CD2 LEU A 104 -4.795 -7.768 -2.728 1.00 0.00 C ATOM 0 H LEU A 104 -2.998 -7.255 1.690 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.707 -7.722 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.338 -7.390 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.889 -8.991 -0.694 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.188 -7.818 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.954 -5.478 -1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.589 -5.665 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.265 -5.476 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.501 -7.320 -3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.793 -7.389 -2.930 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.804 -8.851 -2.848 1.00 0.00 H new ATOM 296 N GLN A 105 -3.954 -10.416 1.832 1.00 0.00 N ATOM 297 CA GLN A 105 -4.049 -11.844 2.112 1.00 0.00 C ATOM 298 C GLN A 105 -5.064 -12.115 3.216 1.00 0.00 C ATOM 299 O GLN A 105 -5.694 -13.172 3.248 1.00 0.00 O ATOM 300 CB GLN A 105 -2.681 -12.398 2.513 1.00 0.00 C ATOM 301 CG GLN A 105 -2.428 -13.812 2.016 1.00 0.00 C ATOM 302 CD GLN A 105 -1.114 -13.943 1.271 1.00 0.00 C ATOM 303 OE1 GLN A 105 -0.909 -13.311 0.235 1.00 0.00 O ATOM 304 NE2 GLN A 105 -0.215 -14.767 1.797 1.00 0.00 N ATOM 0 H GLN A 105 -3.040 -10.007 2.028 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.384 -12.346 1.204 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.904 -11.740 2.124 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.597 -12.383 3.600 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.430 -14.497 2.864 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -3.245 -14.114 1.360 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -0.427 -15.271 2.658 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.688 -14.896 1.340 1.00 0.00 H new ATOM 313 N SER A 106 -5.218 -11.154 4.122 1.00 0.00 N ATOM 314 CA SER A 106 -6.154 -11.291 5.231 1.00 0.00 C ATOM 315 C SER A 106 -7.555 -10.853 4.818 1.00 0.00 C ATOM 316 O SER A 106 -7.767 -9.706 4.425 1.00 0.00 O ATOM 317 CB SER A 106 -5.682 -10.465 6.429 1.00 0.00 C ATOM 318 OG SER A 106 -4.280 -10.262 6.389 1.00 0.00 O ATOM 0 H SER A 106 -4.706 -10.272 4.109 1.00 0.00 H new ATOM 0 HA SER A 106 -6.190 -12.343 5.515 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.192 -9.502 6.434 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.953 -10.974 7.354 1.00 0.00 H new ATOM 0 HG SER A 106 -4.004 -9.730 7.164 1.00 0.00 H new ATOM 324 N GLN A 107 -8.508 -11.776 4.908 1.00 0.00 N ATOM 325 CA GLN A 107 -9.889 -11.485 4.541 1.00 0.00 C ATOM 326 C GLN A 107 -10.718 -11.142 5.774 1.00 0.00 C ATOM 327 O GLN A 107 -11.675 -10.372 5.695 1.00 0.00 O ATOM 328 CB GLN A 107 -10.507 -12.679 3.812 1.00 0.00 C ATOM 329 CG GLN A 107 -10.982 -12.353 2.404 1.00 0.00 C ATOM 330 CD GLN A 107 -12.399 -12.824 2.143 1.00 0.00 C ATOM 331 OE1 GLN A 107 -13.272 -12.709 3.003 1.00 0.00 O ATOM 332 NE2 GLN A 107 -12.635 -13.358 0.950 1.00 0.00 N ATOM 0 H GLN A 107 -8.349 -12.730 5.231 1.00 0.00 H new ATOM 0 HA GLN A 107 -9.888 -10.622 3.875 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.773 -13.483 3.762 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -11.350 -13.053 4.393 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -10.926 -11.276 2.246 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.310 -12.816 1.681 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -11.881 -13.434 0.267 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -13.570 -13.692 0.717 1.00 0.00 H new ATOM 341 N GLN A 108 -10.345 -11.720 6.912 1.00 0.00 N ATOM 342 CA GLN A 108 -11.056 -11.476 8.161 1.00 0.00 C ATOM 343 C GLN A 108 -11.096 -9.986 8.483 1.00 0.00 C ATOM 344 O GLN A 108 -12.019 -9.507 9.142 1.00 0.00 O ATOM 345 CB GLN A 108 -10.392 -12.240 9.308 1.00 0.00 C ATOM 346 CG GLN A 108 -11.381 -12.817 10.308 1.00 0.00 C ATOM 347 CD GLN A 108 -11.700 -14.274 10.038 1.00 0.00 C ATOM 348 OE1 GLN A 108 -12.170 -14.629 8.956 1.00 0.00 O ATOM 349 NE2 GLN A 108 -11.446 -15.128 11.022 1.00 0.00 N ATOM 0 H GLN A 108 -9.555 -12.360 6.994 1.00 0.00 H new ATOM 0 HA GLN A 108 -12.080 -11.831 8.042 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -9.792 -13.050 8.894 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -9.708 -11.572 9.831 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -10.974 -12.719 11.314 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -12.303 -12.236 10.279 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -11.056 -14.791 11.902 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -11.640 -16.122 10.898 1.00 0.00 H new ATOM 358 N ASP A 109 -10.089 -9.257 8.013 1.00 0.00 N ATOM 359 CA ASP A 109 -10.009 -7.821 8.250 1.00 0.00 C ATOM 360 C ASP A 109 -10.568 -7.042 7.063 1.00 0.00 C ATOM 361 O ASP A 109 -9.894 -6.177 6.503 1.00 0.00 O ATOM 362 CB ASP A 109 -8.561 -7.405 8.513 1.00 0.00 C ATOM 363 CG ASP A 109 -8.092 -7.786 9.903 1.00 0.00 C ATOM 364 OD1 ASP A 109 -8.402 -8.912 10.346 1.00 0.00 O ATOM 365 OD2 ASP A 109 -7.414 -6.959 10.548 1.00 0.00 O ATOM 0 H ASP A 109 -9.317 -9.638 7.466 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.610 -7.589 9.129 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -7.912 -7.873 7.773 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -8.467 -6.327 8.384 1.00 0.00 H new ATOM 370 N ASP A 110 -11.802 -7.356 6.684 1.00 0.00 N ATOM 371 CA ASP A 110 -12.451 -6.686 5.564 1.00 0.00 C ATOM 372 C ASP A 110 -12.393 -5.170 5.729 1.00 0.00 C ATOM 373 O ASP A 110 -12.228 -4.436 4.754 1.00 0.00 O ATOM 374 CB ASP A 110 -13.906 -7.143 5.442 1.00 0.00 C ATOM 375 CG ASP A 110 -14.414 -7.083 4.015 1.00 0.00 C ATOM 376 OD1 ASP A 110 -14.656 -5.964 3.517 1.00 0.00 O ATOM 377 OD2 ASP A 110 -14.569 -8.156 3.396 1.00 0.00 O ATOM 0 H ASP A 110 -12.373 -8.070 7.136 1.00 0.00 H new ATOM 0 HA ASP A 110 -11.916 -6.955 4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -13.996 -8.164 5.814 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -14.535 -6.517 6.075 1.00 0.00 H new ATOM 382 N ILE A 111 -12.531 -4.710 6.967 1.00 0.00 N ATOM 383 CA ILE A 111 -12.494 -3.282 7.259 1.00 0.00 C ATOM 384 C ILE A 111 -11.141 -2.681 6.896 1.00 0.00 C ATOM 385 O ILE A 111 -11.052 -1.519 6.499 1.00 0.00 O ATOM 386 CB ILE A 111 -12.784 -3.004 8.746 1.00 0.00 C ATOM 387 CG1 ILE A 111 -11.774 -3.737 9.631 1.00 0.00 C ATOM 388 CG2 ILE A 111 -14.205 -3.421 9.096 1.00 0.00 C ATOM 389 CD1 ILE A 111 -10.773 -2.818 10.295 1.00 0.00 C ATOM 0 H ILE A 111 -12.669 -5.305 7.784 1.00 0.00 H new ATOM 0 HA ILE A 111 -13.270 -2.816 6.652 1.00 0.00 H new ATOM 0 HB ILE A 111 -12.686 -1.933 8.926 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -12.312 -4.291 10.400 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -11.238 -4.469 9.027 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -14.395 -3.218 10.150 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -14.910 -2.857 8.485 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -14.329 -4.487 8.903 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -10.089 -3.406 10.906 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -10.209 -2.283 9.532 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -11.299 -2.102 10.926 1.00 0.00 H new ATOM 401 N ASP A 112 -10.089 -3.481 7.032 1.00 0.00 N ATOM 402 CA ASP A 112 -8.739 -3.030 6.715 1.00 0.00 C ATOM 403 C ASP A 112 -8.528 -2.965 5.206 1.00 0.00 C ATOM 404 O ASP A 112 -7.782 -2.121 4.708 1.00 0.00 O ATOM 405 CB ASP A 112 -7.705 -3.963 7.348 1.00 0.00 C ATOM 406 CG ASP A 112 -6.281 -3.545 7.036 1.00 0.00 C ATOM 407 OD1 ASP A 112 -5.870 -2.456 7.488 1.00 0.00 O ATOM 408 OD2 ASP A 112 -5.578 -4.307 6.341 1.00 0.00 O ATOM 0 H ASP A 112 -10.145 -4.445 7.360 1.00 0.00 H new ATOM 0 HA ASP A 112 -8.611 -2.028 7.125 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -7.848 -3.979 8.429 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -7.869 -4.979 6.990 1.00 0.00 H new ATOM 413 N PHE A 113 -9.188 -3.863 4.481 1.00 0.00 N ATOM 414 CA PHE A 113 -9.072 -3.909 3.028 1.00 0.00 C ATOM 415 C PHE A 113 -9.363 -2.542 2.416 1.00 0.00 C ATOM 416 O PHE A 113 -8.768 -2.161 1.408 1.00 0.00 O ATOM 417 CB PHE A 113 -10.029 -4.954 2.452 1.00 0.00 C ATOM 418 CG PHE A 113 -9.552 -5.557 1.163 1.00 0.00 C ATOM 419 CD1 PHE A 113 -9.496 -4.797 0.005 1.00 0.00 C ATOM 420 CD2 PHE A 113 -9.158 -6.885 1.108 1.00 0.00 C ATOM 421 CE1 PHE A 113 -9.057 -5.351 -1.182 1.00 0.00 C ATOM 422 CE2 PHE A 113 -8.718 -7.444 -0.077 1.00 0.00 C ATOM 423 CZ PHE A 113 -8.667 -6.675 -1.223 1.00 0.00 C ATOM 0 H PHE A 113 -9.809 -4.569 4.877 1.00 0.00 H new ATOM 0 HA PHE A 113 -8.048 -4.188 2.778 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -10.171 -5.748 3.185 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -11.003 -4.493 2.290 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -9.799 -3.761 0.031 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -9.195 -7.490 2.002 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -9.019 -4.749 -2.078 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -8.415 -8.480 -0.107 1.00 0.00 H new ATOM 0 HZ PHE A 113 -8.322 -7.109 -2.150 1.00 0.00 H new ATOM 433 N LYS A 114 -10.284 -1.808 3.033 1.00 0.00 N ATOM 434 CA LYS A 114 -10.655 -0.484 2.550 1.00 0.00 C ATOM 435 C LYS A 114 -9.510 0.506 2.740 1.00 0.00 C ATOM 436 O LYS A 114 -9.165 1.253 1.824 1.00 0.00 O ATOM 437 CB LYS A 114 -11.902 0.017 3.283 1.00 0.00 C ATOM 438 CG LYS A 114 -13.149 -0.799 2.990 1.00 0.00 C ATOM 439 CD LYS A 114 -13.736 -0.454 1.632 1.00 0.00 C ATOM 440 CE LYS A 114 -13.697 -1.647 0.689 1.00 0.00 C ATOM 441 NZ LYS A 114 -14.778 -1.581 -0.333 1.00 0.00 N ATOM 0 H LYS A 114 -10.787 -2.108 3.868 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.872 -0.561 1.485 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -11.713 0.003 4.356 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -12.084 1.055 3.005 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -12.906 -1.861 3.023 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -13.893 -0.618 3.765 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -14.766 -0.119 1.754 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -13.181 0.376 1.194 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -12.728 -1.685 0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -13.796 -2.568 1.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -14.718 -2.411 -0.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -15.704 -1.570 0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -14.669 -0.715 -0.898 1.00 0.00 H new ATOM 455 N ARG A 115 -8.923 0.504 3.932 1.00 0.00 N ATOM 456 CA ARG A 115 -7.816 1.401 4.240 1.00 0.00 C ATOM 457 C ARG A 115 -6.618 1.116 3.339 1.00 0.00 C ATOM 458 O ARG A 115 -6.069 2.023 2.715 1.00 0.00 O ATOM 459 CB ARG A 115 -7.409 1.257 5.708 1.00 0.00 C ATOM 460 CG ARG A 115 -7.197 2.587 6.414 1.00 0.00 C ATOM 461 CD ARG A 115 -5.934 3.280 5.929 1.00 0.00 C ATOM 462 NE ARG A 115 -4.742 2.791 6.616 1.00 0.00 N ATOM 463 CZ ARG A 115 -3.516 3.237 6.369 1.00 0.00 C ATOM 464 NH1 ARG A 115 -3.321 4.177 5.454 1.00 0.00 N ATOM 465 NH2 ARG A 115 -2.481 2.743 7.037 1.00 0.00 N ATOM 0 H ARG A 115 -9.196 -0.109 4.700 1.00 0.00 H new ATOM 0 HA ARG A 115 -8.149 2.423 4.060 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.178 0.693 6.236 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -6.490 0.674 5.766 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -8.057 3.233 6.241 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -7.133 2.423 7.490 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -5.824 3.123 4.856 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -6.027 4.355 6.086 1.00 0.00 H new ATOM 0 HE ARG A 115 -4.858 2.067 7.325 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -4.114 4.559 4.938 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -2.378 4.518 5.266 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -2.627 2.020 7.741 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -1.540 3.087 6.846 1.00 0.00 H new ATOM 479 N ALA A 116 -6.219 -0.150 3.276 1.00 0.00 N ATOM 480 CA ALA A 116 -5.088 -0.555 2.451 1.00 0.00 C ATOM 481 C ALA A 116 -5.313 -0.181 0.990 1.00 0.00 C ATOM 482 O ALA A 116 -4.361 0.021 0.239 1.00 0.00 O ATOM 483 CB ALA A 116 -4.846 -2.051 2.584 1.00 0.00 C ATOM 0 H ALA A 116 -6.663 -0.913 3.787 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.204 -0.023 2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.998 -2.339 1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -4.632 -2.294 3.625 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -5.734 -2.593 2.260 1.00 0.00 H new ATOM 489 N GLU A 117 -6.580 -0.093 0.595 1.00 0.00 N ATOM 490 CA GLU A 117 -6.928 0.255 -0.777 1.00 0.00 C ATOM 491 C GLU A 117 -6.609 1.719 -1.065 1.00 0.00 C ATOM 492 O GLU A 117 -5.921 2.037 -2.036 1.00 0.00 O ATOM 493 CB GLU A 117 -8.413 -0.015 -1.033 1.00 0.00 C ATOM 494 CG GLU A 117 -8.666 -1.179 -1.975 1.00 0.00 C ATOM 495 CD GLU A 117 -9.345 -0.752 -3.262 1.00 0.00 C ATOM 496 OE1 GLU A 117 -10.227 0.130 -3.202 1.00 0.00 O ATOM 497 OE2 GLU A 117 -8.995 -1.299 -4.328 1.00 0.00 O ATOM 0 H GLU A 117 -7.381 -0.258 1.205 1.00 0.00 H new ATOM 0 HA GLU A 117 -6.332 -0.366 -1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -8.907 -0.214 -0.082 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -8.871 0.883 -1.448 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -7.718 -1.662 -2.212 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.285 -1.921 -1.471 1.00 0.00 H new ATOM 504 N LEU A 118 -7.114 2.607 -0.215 1.00 0.00 N ATOM 505 CA LEU A 118 -6.883 4.038 -0.378 1.00 0.00 C ATOM 506 C LEU A 118 -5.403 4.372 -0.226 1.00 0.00 C ATOM 507 O LEU A 118 -4.857 5.173 -0.983 1.00 0.00 O ATOM 508 CB LEU A 118 -7.703 4.826 0.646 1.00 0.00 C ATOM 509 CG LEU A 118 -8.035 6.271 0.271 1.00 0.00 C ATOM 510 CD1 LEU A 118 -9.537 6.452 0.121 1.00 0.00 C ATOM 511 CD2 LEU A 118 -7.480 7.232 1.312 1.00 0.00 C ATOM 0 H LEU A 118 -7.686 2.361 0.593 1.00 0.00 H new ATOM 0 HA LEU A 118 -7.198 4.320 -1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.638 4.293 0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.158 4.833 1.590 1.00 0.00 H new ATOM 0 HG LEU A 118 -7.566 6.495 -0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -9.754 7.486 -0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.907 5.790 -0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -10.029 6.210 1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.725 8.256 1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -7.919 7.009 2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.397 7.121 1.369 1.00 0.00 H new ATOM 523 N ALA A 119 -4.759 3.751 0.756 1.00 0.00 N ATOM 524 CA ALA A 119 -3.341 3.979 1.004 1.00 0.00 C ATOM 525 C ALA A 119 -2.491 3.464 -0.152 1.00 0.00 C ATOM 526 O ALA A 119 -1.410 3.988 -0.424 1.00 0.00 O ATOM 527 CB ALA A 119 -2.919 3.315 2.306 1.00 0.00 C ATOM 0 H ALA A 119 -5.197 3.086 1.393 1.00 0.00 H new ATOM 0 HA ALA A 119 -3.182 5.054 1.088 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -1.858 3.494 2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.496 3.733 3.131 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.101 2.242 2.243 1.00 0.00 H new ATOM 533 N LEU A 120 -2.986 2.434 -0.830 1.00 0.00 N ATOM 534 CA LEU A 120 -2.272 1.847 -1.960 1.00 0.00 C ATOM 535 C LEU A 120 -2.254 2.802 -3.148 1.00 0.00 C ATOM 536 O LEU A 120 -1.221 2.991 -3.791 1.00 0.00 O ATOM 537 CB LEU A 120 -2.919 0.522 -2.365 1.00 0.00 C ATOM 538 CG LEU A 120 -2.290 -0.195 -3.559 1.00 0.00 C ATOM 539 CD1 LEU A 120 -1.891 -1.613 -3.182 1.00 0.00 C ATOM 540 CD2 LEU A 120 -3.249 -0.205 -4.741 1.00 0.00 C ATOM 0 H LEU A 120 -3.878 1.988 -0.617 1.00 0.00 H new ATOM 0 HA LEU A 120 -1.243 1.662 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.891 -0.150 -1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.969 0.708 -2.590 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.391 0.347 -3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.445 -2.107 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -1.168 -1.583 -2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.774 -2.167 -2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -2.784 -0.720 -5.582 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -4.166 -0.723 -4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.484 0.820 -5.028 1.00 0.00 H new ATOM 552 N LYS A 121 -3.403 3.404 -3.434 1.00 0.00 N ATOM 553 CA LYS A 121 -3.520 4.343 -4.544 1.00 0.00 C ATOM 554 C LYS A 121 -2.633 5.564 -4.320 1.00 0.00 C ATOM 555 O LYS A 121 -1.854 5.945 -5.193 1.00 0.00 O ATOM 556 CB LYS A 121 -4.976 4.783 -4.716 1.00 0.00 C ATOM 557 CG LYS A 121 -5.448 4.771 -6.160 1.00 0.00 C ATOM 558 CD LYS A 121 -6.965 4.807 -6.250 1.00 0.00 C ATOM 559 CE LYS A 121 -7.457 4.241 -7.573 1.00 0.00 C ATOM 560 NZ LYS A 121 -8.695 4.925 -8.042 1.00 0.00 N ATOM 0 H LYS A 121 -4.267 3.259 -2.912 1.00 0.00 H new ATOM 0 HA LYS A 121 -3.190 3.837 -5.451 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -5.617 4.127 -4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -5.093 5.789 -4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -5.031 5.629 -6.688 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -5.074 3.877 -6.659 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -7.393 4.236 -5.427 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -7.313 5.834 -6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -6.676 4.346 -8.326 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -7.651 3.174 -7.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -8.999 4.511 -8.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -9.448 4.803 -7.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -8.503 5.939 -8.172 1.00 0.00 H new ATOM 574 N ARG A 122 -2.755 6.171 -3.144 1.00 0.00 N ATOM 575 CA ARG A 122 -1.964 7.348 -2.805 1.00 0.00 C ATOM 576 C ARG A 122 -0.473 7.019 -2.806 1.00 0.00 C ATOM 577 O ARG A 122 0.362 7.882 -3.076 1.00 0.00 O ATOM 578 CB ARG A 122 -2.377 7.889 -1.435 1.00 0.00 C ATOM 579 CG ARG A 122 -2.041 9.358 -1.235 1.00 0.00 C ATOM 580 CD ARG A 122 -2.042 9.734 0.237 1.00 0.00 C ATOM 581 NE ARG A 122 -0.767 9.428 0.881 1.00 0.00 N ATOM 582 CZ ARG A 122 -0.455 9.814 2.113 1.00 0.00 C ATOM 583 NH1 ARG A 122 -1.320 10.516 2.830 1.00 0.00 N ATOM 584 NH2 ARG A 122 0.726 9.497 2.629 1.00 0.00 N ATOM 0 H ARG A 122 -3.394 5.867 -2.410 1.00 0.00 H new ATOM 0 HA ARG A 122 -2.151 8.111 -3.561 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -3.450 7.750 -1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -1.885 7.303 -0.659 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -1.062 9.570 -1.665 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -2.764 9.974 -1.769 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -2.253 10.798 0.339 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -2.843 9.199 0.747 1.00 0.00 H new ATOM 0 HE ARG A 122 -0.079 8.888 0.356 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -2.228 10.761 2.436 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -1.078 10.811 3.776 1.00 0.00 H new ATOM 0 HH21 ARG A 122 1.394 8.957 2.079 1.00 0.00 H new ATOM 0 HH22 ARG A 122 0.965 9.794 3.575 1.00 0.00 H new ATOM 598 N ALA A 123 -0.149 5.767 -2.502 1.00 0.00 N ATOM 599 CA ALA A 123 1.240 5.325 -2.470 1.00 0.00 C ATOM 600 C ALA A 123 1.848 5.322 -3.868 1.00 0.00 C ATOM 601 O ALA A 123 2.947 5.836 -4.077 1.00 0.00 O ATOM 602 CB ALA A 123 1.338 3.940 -1.847 1.00 0.00 C ATOM 0 H ALA A 123 -0.829 5.041 -2.274 1.00 0.00 H new ATOM 0 HA ALA A 123 1.805 6.028 -1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.380 3.622 -1.829 1.00 0.00 H new ATOM 0 HB2 ALA A 123 0.951 3.971 -0.829 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.753 3.234 -2.436 1.00 0.00 H new ATOM 608 N MET A 124 1.128 4.740 -4.821 1.00 0.00 N ATOM 609 CA MET A 124 1.598 4.672 -6.200 1.00 0.00 C ATOM 610 C MET A 124 1.713 6.067 -6.804 1.00 0.00 C ATOM 611 O MET A 124 2.653 6.358 -7.542 1.00 0.00 O ATOM 612 CB MET A 124 0.651 3.815 -7.042 1.00 0.00 C ATOM 613 CG MET A 124 1.233 2.465 -7.427 1.00 0.00 C ATOM 614 SD MET A 124 -0.003 1.345 -8.113 1.00 0.00 S ATOM 615 CE MET A 124 1.024 0.294 -9.138 1.00 0.00 C ATOM 0 H MET A 124 0.217 4.309 -4.664 1.00 0.00 H new ATOM 0 HA MET A 124 2.587 4.213 -6.199 1.00 0.00 H new ATOM 0 HB2 MET A 124 -0.274 3.658 -6.487 1.00 0.00 H new ATOM 0 HB3 MET A 124 0.390 4.361 -7.949 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.029 2.612 -8.157 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.686 2.005 -6.549 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.402 -0.453 -9.631 1.00 0.00 H new ATOM 0 HE2 MET A 124 1.528 0.900 -9.891 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.768 -0.205 -8.517 1.00 0.00 H new ATOM 625 N ASN A 125 0.751 6.927 -6.486 1.00 0.00 N ATOM 626 CA ASN A 125 0.745 8.292 -7.000 1.00 0.00 C ATOM 627 C ASN A 125 1.997 9.044 -6.559 1.00 0.00 C ATOM 628 O ASN A 125 2.681 9.663 -7.375 1.00 0.00 O ATOM 629 CB ASN A 125 -0.505 9.034 -6.521 1.00 0.00 C ATOM 630 CG ASN A 125 -0.988 10.062 -7.525 1.00 0.00 C ATOM 631 OD1 ASN A 125 -0.448 11.165 -7.609 1.00 0.00 O ATOM 632 ND2 ASN A 125 -2.010 9.704 -8.293 1.00 0.00 N ATOM 0 H ASN A 125 -0.034 6.703 -5.875 1.00 0.00 H new ATOM 0 HA ASN A 125 0.736 8.244 -8.089 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -1.301 8.314 -6.331 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -0.290 9.529 -5.574 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -2.378 10.354 -8.987 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -2.427 8.779 -8.189 1.00 0.00 H new ATOM 639 N ARG A 126 2.291 8.986 -5.264 1.00 0.00 N ATOM 640 CA ARG A 126 3.460 9.662 -4.715 1.00 0.00 C ATOM 641 C ARG A 126 4.747 9.056 -5.267 1.00 0.00 C ATOM 642 O ARG A 126 5.771 9.733 -5.367 1.00 0.00 O ATOM 643 CB ARG A 126 3.456 9.574 -3.188 1.00 0.00 C ATOM 644 CG ARG A 126 3.287 10.919 -2.501 1.00 0.00 C ATOM 645 CD ARG A 126 2.346 10.822 -1.310 1.00 0.00 C ATOM 646 NE ARG A 126 2.117 12.122 -0.686 1.00 0.00 N ATOM 647 CZ ARG A 126 1.321 13.054 -1.199 1.00 0.00 C ATOM 648 NH1 ARG A 126 0.681 12.829 -2.338 1.00 0.00 N ATOM 649 NH2 ARG A 126 1.164 14.212 -0.572 1.00 0.00 N ATOM 0 H ARG A 126 1.736 8.478 -4.576 1.00 0.00 H new ATOM 0 HA ARG A 126 3.416 10.710 -5.012 1.00 0.00 H new ATOM 0 HB2 ARG A 126 2.650 8.911 -2.873 1.00 0.00 H new ATOM 0 HB3 ARG A 126 4.390 9.121 -2.856 1.00 0.00 H new ATOM 0 HG2 ARG A 126 4.259 11.284 -2.169 1.00 0.00 H new ATOM 0 HG3 ARG A 126 2.900 11.647 -3.214 1.00 0.00 H new ATOM 0 HD2 ARG A 126 1.393 10.403 -1.634 1.00 0.00 H new ATOM 0 HD3 ARG A 126 2.763 10.135 -0.574 1.00 0.00 H new ATOM 0 HE ARG A 126 2.594 12.326 0.192 1.00 0.00 H new ATOM 0 HH11 ARG A 126 0.799 11.939 -2.822 1.00 0.00 H new ATOM 0 HH12 ARG A 126 0.070 13.546 -2.730 1.00 0.00 H new ATOM 0 HH21 ARG A 126 1.655 14.388 0.305 1.00 0.00 H new ATOM 0 HH22 ARG A 126 0.553 14.927 -0.967 1.00 0.00 H new ATOM 663 N LEU A 127 4.688 7.778 -5.623 1.00 0.00 N ATOM 664 CA LEU A 127 5.849 7.080 -6.164 1.00 0.00 C ATOM 665 C LEU A 127 6.252 7.660 -7.515 1.00 0.00 C ATOM 666 O LEU A 127 7.432 7.895 -7.774 1.00 0.00 O ATOM 667 CB LEU A 127 5.550 5.586 -6.307 1.00 0.00 C ATOM 668 CG LEU A 127 6.495 4.639 -5.566 1.00 0.00 C ATOM 669 CD1 LEU A 127 5.772 3.359 -5.178 1.00 0.00 C ATOM 670 CD2 LEU A 127 7.715 4.327 -6.421 1.00 0.00 C ATOM 0 H LEU A 127 3.849 7.204 -5.547 1.00 0.00 H new ATOM 0 HA LEU A 127 6.678 7.214 -5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 127 4.535 5.404 -5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.570 5.332 -7.367 1.00 0.00 H new ATOM 0 HG LEU A 127 6.832 5.132 -4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 127 6.460 2.698 -4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 127 4.931 3.599 -4.528 1.00 0.00 H new ATOM 0 HD13 LEU A 127 5.406 2.861 -6.076 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.377 3.652 -5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 127 7.397 3.854 -7.350 1.00 0.00 H new ATOM 0 HD23 LEU A 127 8.246 5.251 -6.648 1.00 0.00 H new ATOM 682 N SER A 128 5.263 7.892 -8.374 1.00 0.00 N ATOM 683 CA SER A 128 5.515 8.444 -9.700 1.00 0.00 C ATOM 684 C SER A 128 6.015 9.882 -9.603 1.00 0.00 C ATOM 685 O SER A 128 6.877 10.304 -10.374 1.00 0.00 O ATOM 686 CB SER A 128 4.242 8.390 -10.547 1.00 0.00 C ATOM 687 OG SER A 128 3.095 8.217 -9.734 1.00 0.00 O ATOM 0 H SER A 128 4.280 7.706 -8.175 1.00 0.00 H new ATOM 0 HA SER A 128 6.287 7.841 -10.178 1.00 0.00 H new ATOM 0 HB2 SER A 128 4.147 9.309 -11.125 1.00 0.00 H new ATOM 0 HB3 SER A 128 4.312 7.570 -11.262 1.00 0.00 H new ATOM 0 HG SER A 128 3.077 8.911 -9.042 1.00 0.00 H new ATOM 693 N VAL A 129 5.468 10.629 -8.650 1.00 0.00 N ATOM 694 CA VAL A 129 5.858 12.020 -8.452 1.00 0.00 C ATOM 695 C VAL A 129 7.287 12.121 -7.931 1.00 0.00 C ATOM 696 O VAL A 129 8.019 13.049 -8.274 1.00 0.00 O ATOM 697 CB VAL A 129 4.913 12.732 -7.465 1.00 0.00 C ATOM 698 CG1 VAL A 129 5.306 14.194 -7.310 1.00 0.00 C ATOM 699 CG2 VAL A 129 3.469 12.605 -7.925 1.00 0.00 C ATOM 0 H VAL A 129 4.754 10.295 -8.003 1.00 0.00 H new ATOM 0 HA VAL A 129 5.793 12.509 -9.424 1.00 0.00 H new ATOM 0 HB VAL A 129 5.003 12.251 -6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 129 4.628 14.681 -6.609 1.00 0.00 H new ATOM 0 HG12 VAL A 129 6.326 14.258 -6.932 1.00 0.00 H new ATOM 0 HG13 VAL A 129 5.246 14.691 -8.278 1.00 0.00 H new ATOM 0 HG21 VAL A 129 2.815 13.113 -7.216 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.360 13.059 -8.910 1.00 0.00 H new ATOM 0 HG23 VAL A 129 3.196 11.551 -7.979 1.00 0.00 H new ATOM 709 N ALA A 130 7.679 11.158 -7.103 1.00 0.00 N ATOM 710 CA ALA A 130 9.022 11.137 -6.537 1.00 0.00 C ATOM 711 C ALA A 130 10.080 11.123 -7.636 1.00 0.00 C ATOM 712 O ALA A 130 10.968 11.974 -7.665 1.00 0.00 O ATOM 713 CB ALA A 130 9.191 9.931 -5.624 1.00 0.00 C ATOM 0 H ALA A 130 7.085 10.382 -6.809 1.00 0.00 H new ATOM 0 HA ALA A 130 9.157 12.045 -5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.199 9.928 -5.208 1.00 0.00 H new ATOM 0 HB2 ALA A 130 8.464 9.984 -4.813 1.00 0.00 H new ATOM 0 HB3 ALA A 130 9.032 9.017 -6.196 1.00 0.00 H new ATOM 719 N GLU A 131 9.979 10.150 -8.536 1.00 0.00 N ATOM 720 CA GLU A 131 10.929 10.026 -9.636 1.00 0.00 C ATOM 721 C GLU A 131 11.070 11.348 -10.386 1.00 0.00 C ATOM 722 O GLU A 131 12.148 11.938 -10.426 1.00 0.00 O ATOM 723 CB GLU A 131 10.486 8.924 -10.600 1.00 0.00 C ATOM 724 CG GLU A 131 11.364 7.685 -10.555 1.00 0.00 C ATOM 725 CD GLU A 131 10.572 6.418 -10.297 1.00 0.00 C ATOM 726 OE1 GLU A 131 10.384 6.065 -9.114 1.00 0.00 O ATOM 727 OE2 GLU A 131 10.141 5.779 -11.279 1.00 0.00 O ATOM 0 H GLU A 131 9.250 9.437 -8.525 1.00 0.00 H new ATOM 0 HA GLU A 131 11.899 9.762 -9.216 1.00 0.00 H new ATOM 0 HB2 GLU A 131 9.460 8.640 -10.367 1.00 0.00 H new ATOM 0 HB3 GLU A 131 10.484 9.321 -11.615 1.00 0.00 H new ATOM 0 HG2 GLU A 131 11.899 7.589 -11.500 1.00 0.00 H new ATOM 0 HG3 GLU A 131 12.115 7.805 -9.774 1.00 0.00 H new ATOM 734 N MET A 132 9.971 11.805 -10.977 1.00 0.00 N ATOM 735 CA MET A 132 9.971 13.057 -11.724 1.00 0.00 C ATOM 736 C MET A 132 9.574 14.226 -10.829 1.00 0.00 C ATOM 737 O MET A 132 8.803 15.097 -11.232 1.00 0.00 O ATOM 738 CB MET A 132 9.015 12.964 -12.916 1.00 0.00 C ATOM 739 CG MET A 132 9.481 12.001 -13.995 1.00 0.00 C ATOM 740 SD MET A 132 8.538 10.464 -14.009 1.00 0.00 S ATOM 741 CE MET A 132 7.162 10.920 -15.060 1.00 0.00 C ATOM 0 H MET A 132 9.070 11.328 -10.953 1.00 0.00 H new ATOM 0 HA MET A 132 10.983 13.232 -12.091 1.00 0.00 H new ATOM 0 HB2 MET A 132 8.033 12.651 -12.560 1.00 0.00 H new ATOM 0 HB3 MET A 132 8.894 13.955 -13.353 1.00 0.00 H new ATOM 0 HG2 MET A 132 9.396 12.484 -14.969 1.00 0.00 H new ATOM 0 HG3 MET A 132 10.536 11.774 -13.843 1.00 0.00 H new ATOM 0 HE1 MET A 132 6.487 10.070 -15.165 1.00 0.00 H new ATOM 0 HE2 MET A 132 6.625 11.757 -14.613 1.00 0.00 H new ATOM 0 HE3 MET A 132 7.535 11.211 -16.042 1.00 0.00 H new ATOM 751 N LYS A 133 10.104 14.238 -9.610 1.00 0.00 N ATOM 752 CA LYS A 133 9.807 15.300 -8.657 1.00 0.00 C ATOM 753 C LYS A 133 10.075 16.672 -9.268 1.00 0.00 C ATOM 754 O LYS A 133 10.175 17.671 -8.555 1.00 0.00 O ATOM 755 CB LYS A 133 10.643 15.123 -7.387 1.00 0.00 C ATOM 756 CG LYS A 133 9.822 14.751 -6.165 1.00 0.00 C ATOM 757 CD LYS A 133 9.537 15.963 -5.295 1.00 0.00 C ATOM 758 CE LYS A 133 10.733 16.320 -4.426 1.00 0.00 C ATOM 759 NZ LYS A 133 10.820 15.453 -3.219 1.00 0.00 N ATOM 0 H LYS A 133 10.742 13.523 -9.259 1.00 0.00 H new ATOM 0 HA LYS A 133 8.750 15.237 -8.400 1.00 0.00 H new ATOM 0 HB2 LYS A 133 11.392 14.350 -7.560 1.00 0.00 H new ATOM 0 HB3 LYS A 133 11.181 16.049 -7.185 1.00 0.00 H new ATOM 0 HG2 LYS A 133 8.882 14.300 -6.481 1.00 0.00 H new ATOM 0 HG3 LYS A 133 10.356 14.001 -5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 133 9.279 16.813 -5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 133 8.673 15.762 -4.662 1.00 0.00 H new ATOM 0 HE2 LYS A 133 11.648 16.222 -5.010 1.00 0.00 H new ATOM 0 HE3 LYS A 133 10.660 17.363 -4.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 11.648 15.728 -2.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 9.958 15.565 -2.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 10.915 14.459 -3.511 1.00 0.00 H new