USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 472 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 HIS : no HD1:sc= -0.0247 X(o=-0.074,f=-0.034) USER MOD Set 1.2: A 135 ASN : amide:sc= -0.049 X(o=-0.074,f=-0.25) USER MOD Set 2.1: A 107 MET CE :methyl -133:sc= 0 (180deg=-0.13) USER MOD Set 2.2: A 122 MET CE :methyl 180:sc= -0.0119 (180deg=-0.0119) USER MOD Single : A 84 GLN : amide:sc= 1.23 K(o=1.2,f=-0.031) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 1.22 K(o=1.2,f=-1.9) USER MOD Single : A 116 GLN : amide:sc= -1.44! K(o=-1.4!,f=-0.55) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 78 -0.461 -14.614 -1.915 1.00 10.00 N ATOM 38 CA ALA A 78 0.037 -13.413 -1.301 1.00 10.00 C ATOM 39 C ALA A 78 0.455 -12.459 -2.407 1.00 10.00 C ATOM 40 O ALA A 78 0.047 -12.617 -3.562 1.00 10.00 O ATOM 41 CB ALA A 78 1.205 -13.798 -0.414 1.00 10.00 C ATOM 0 HA ALA A 78 -0.715 -12.917 -0.688 1.00 10.00 H new ATOM 0 HB1 ALA A 78 1.606 -12.906 0.067 1.00 10.00 H new ATOM 0 HB2 ALA A 78 0.867 -14.501 0.348 1.00 10.00 H new ATOM 0 HB3 ALA A 78 1.983 -14.265 -1.019 1.00 10.00 H new ATOM 47 N GLY A 79 1.262 -11.459 -2.058 1.00 10.00 N ATOM 48 CA GLY A 79 1.462 -10.332 -2.932 1.00 10.00 C ATOM 49 C GLY A 79 0.108 -9.656 -3.064 1.00 10.00 C ATOM 50 O GLY A 79 -0.252 -8.839 -2.230 1.00 10.00 O ATOM 0 H GLY A 79 1.780 -11.416 -1.180 1.00 10.00 H new ATOM 0 HA2 GLY A 79 2.202 -9.646 -2.520 1.00 10.00 H new ATOM 0 HA3 GLY A 79 1.833 -10.654 -3.905 1.00 10.00 H new ATOM 54 N LEU A 80 -0.674 -9.995 -4.087 1.00 10.00 N ATOM 55 CA LEU A 80 -1.792 -9.165 -4.451 1.00 10.00 C ATOM 56 C LEU A 80 -2.965 -9.198 -3.485 1.00 10.00 C ATOM 57 O LEU A 80 -3.429 -8.140 -3.071 1.00 10.00 O ATOM 58 CB LEU A 80 -2.161 -9.435 -5.912 1.00 10.00 C ATOM 59 CG LEU A 80 -3.203 -8.449 -6.456 1.00 10.00 C ATOM 60 CD1 LEU A 80 -2.785 -7.985 -7.854 1.00 10.00 C ATOM 61 CD2 LEU A 80 -4.588 -9.076 -6.498 1.00 10.00 C ATOM 0 H LEU A 80 -0.548 -10.827 -4.663 1.00 10.00 H new ATOM 0 HA LEU A 80 -1.475 -8.126 -4.363 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -1.261 -9.380 -6.525 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -2.547 -10.450 -6.002 1.00 10.00 H new ATOM 0 HG LEU A 80 -3.250 -7.590 -5.787 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -3.525 -7.284 -8.241 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -1.814 -7.493 -7.799 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -2.718 -8.846 -8.519 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -5.303 -8.352 -6.888 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -4.571 -9.953 -7.144 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -4.884 -9.372 -5.492 1.00 10.00 H new ATOM 73 N GLU A 81 -3.454 -10.383 -3.124 1.00 10.00 N ATOM 74 CA GLU A 81 -4.573 -10.481 -2.196 1.00 10.00 C ATOM 75 C GLU A 81 -4.156 -9.856 -0.865 1.00 10.00 C ATOM 76 O GLU A 81 -4.855 -9.001 -0.324 1.00 10.00 O ATOM 77 CB GLU A 81 -4.940 -11.953 -1.988 1.00 10.00 C ATOM 78 CG GLU A 81 -5.283 -12.702 -3.284 1.00 10.00 C ATOM 79 CD GLU A 81 -6.779 -12.686 -3.547 1.00 10.00 C ATOM 80 OE1 GLU A 81 -7.227 -11.721 -4.199 1.00 10.00 O ATOM 81 OE2 GLU A 81 -7.428 -13.649 -3.085 1.00 10.00 O ATOM 0 H GLU A 81 -3.096 -11.278 -3.457 1.00 10.00 H new ATOM 0 HA GLU A 81 -5.440 -9.956 -2.596 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -4.108 -12.458 -1.498 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -5.792 -12.012 -1.310 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -4.759 -12.243 -4.122 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -4.934 -13.732 -3.215 1.00 10.00 H new ATOM 88 N ASP A 82 -2.980 -10.275 -0.381 1.00 10.00 N ATOM 89 CA ASP A 82 -2.337 -9.756 0.818 1.00 10.00 C ATOM 90 C ASP A 82 -2.376 -8.238 0.780 1.00 10.00 C ATOM 91 O ASP A 82 -2.854 -7.588 1.703 1.00 10.00 O ATOM 92 CB ASP A 82 -0.872 -10.221 0.878 1.00 10.00 C ATOM 93 CG ASP A 82 -0.672 -11.528 1.629 1.00 10.00 C ATOM 94 OD1 ASP A 82 -1.607 -12.356 1.606 1.00 10.00 O ATOM 95 OD2 ASP A 82 0.438 -11.688 2.177 1.00 10.00 O ATOM 0 H ASP A 82 -2.437 -11.010 -0.834 1.00 10.00 H new ATOM 0 HA ASP A 82 -2.864 -10.126 1.697 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -0.495 -10.336 -0.138 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -0.273 -9.444 1.354 1.00 10.00 H new ATOM 100 N LEU A 83 -1.876 -7.661 -0.305 1.00 10.00 N ATOM 101 CA LEU A 83 -1.818 -6.231 -0.436 1.00 10.00 C ATOM 102 C LEU A 83 -3.232 -5.645 -0.462 1.00 10.00 C ATOM 103 O LEU A 83 -3.544 -4.835 0.391 1.00 10.00 O ATOM 104 CB LEU A 83 -0.870 -5.847 -1.547 1.00 10.00 C ATOM 105 CG LEU A 83 0.576 -6.164 -1.084 1.00 10.00 C ATOM 106 CD1 LEU A 83 1.449 -5.975 -2.301 1.00 10.00 C ATOM 107 CD2 LEU A 83 1.196 -5.299 0.025 1.00 10.00 C ATOM 0 H LEU A 83 -1.506 -8.174 -1.105 1.00 10.00 H new ATOM 0 HA LEU A 83 -1.373 -5.757 0.439 1.00 10.00 H new ATOM 0 HB2 LEU A 83 -1.107 -6.399 -2.456 1.00 10.00 H new ATOM 0 HB3 LEU A 83 -0.970 -4.787 -1.782 1.00 10.00 H new ATOM 0 HG LEU A 83 0.521 -7.164 -0.654 1.00 10.00 H new ATOM 0 HD11 LEU A 83 2.487 -6.184 -2.041 1.00 10.00 H new ATOM 0 HD12 LEU A 83 1.128 -6.657 -3.088 1.00 10.00 H new ATOM 0 HD13 LEU A 83 1.364 -4.947 -2.654 1.00 10.00 H new ATOM 0 HD21 LEU A 83 2.208 -5.646 0.235 1.00 10.00 H new ATOM 0 HD22 LEU A 83 1.230 -4.259 -0.300 1.00 10.00 H new ATOM 0 HD23 LEU A 83 0.591 -5.377 0.928 1.00 10.00 H new ATOM 119 N GLN A 84 -4.153 -6.075 -1.325 1.00 10.00 N ATOM 120 CA GLN A 84 -5.504 -5.508 -1.309 1.00 10.00 C ATOM 121 C GLN A 84 -6.139 -5.556 0.099 1.00 10.00 C ATOM 122 O GLN A 84 -6.771 -4.589 0.532 1.00 10.00 O ATOM 123 CB GLN A 84 -6.388 -6.170 -2.380 1.00 10.00 C ATOM 124 CG GLN A 84 -7.598 -5.280 -2.736 1.00 10.00 C ATOM 125 CD GLN A 84 -7.778 -5.079 -4.246 1.00 10.00 C ATOM 126 OE1 GLN A 84 -7.955 -6.047 -4.980 1.00 10.00 O ATOM 127 NE2 GLN A 84 -7.737 -3.832 -4.714 1.00 10.00 N ATOM 0 H GLN A 84 -3.996 -6.797 -2.029 1.00 10.00 H new ATOM 0 HA GLN A 84 -5.425 -4.451 -1.563 1.00 10.00 H new ATOM 0 HB2 GLN A 84 -5.797 -6.360 -3.276 1.00 10.00 H new ATOM 0 HB3 GLN A 84 -6.739 -7.137 -2.019 1.00 10.00 H new ATOM 0 HG2 GLN A 84 -8.503 -5.728 -2.325 1.00 10.00 H new ATOM 0 HG3 GLN A 84 -7.478 -4.308 -2.258 1.00 10.00 H new ATOM 0 HE21 GLN A 84 -7.588 -3.052 -4.074 1.00 10.00 H new ATOM 0 HE22 GLN A 84 -7.855 -3.658 -5.712 1.00 10.00 H new ATOM 136 N VAL A 85 -5.925 -6.648 0.843 1.00 10.00 N ATOM 137 CA VAL A 85 -6.350 -6.811 2.215 1.00 10.00 C ATOM 138 C VAL A 85 -5.635 -5.811 3.136 1.00 10.00 C ATOM 139 O VAL A 85 -6.286 -5.177 3.963 1.00 10.00 O ATOM 140 CB VAL A 85 -6.102 -8.285 2.575 1.00 10.00 C ATOM 141 CG1 VAL A 85 -6.032 -8.501 4.076 1.00 10.00 C ATOM 142 CG2 VAL A 85 -7.194 -9.173 1.964 1.00 10.00 C ATOM 0 H VAL A 85 -5.432 -7.465 0.482 1.00 10.00 H new ATOM 0 HA VAL A 85 -7.408 -6.587 2.348 1.00 10.00 H new ATOM 0 HB VAL A 85 -5.134 -8.563 2.158 1.00 10.00 H new ATOM 0 HG11 VAL A 85 -5.856 -9.556 4.284 1.00 10.00 H new ATOM 0 HG12 VAL A 85 -5.217 -7.908 4.491 1.00 10.00 H new ATOM 0 HG13 VAL A 85 -6.973 -8.194 4.532 1.00 10.00 H new ATOM 0 HG21 VAL A 85 -7.006 -10.214 2.227 1.00 10.00 H new ATOM 0 HG22 VAL A 85 -8.167 -8.871 2.351 1.00 10.00 H new ATOM 0 HG23 VAL A 85 -7.186 -9.066 0.879 1.00 10.00 H new ATOM 152 N ALA A 86 -4.314 -5.652 3.005 1.00 10.00 N ATOM 153 CA ALA A 86 -3.543 -4.624 3.700 1.00 10.00 C ATOM 154 C ALA A 86 -4.222 -3.270 3.491 1.00 10.00 C ATOM 155 O ALA A 86 -4.593 -2.560 4.424 1.00 10.00 O ATOM 156 CB ALA A 86 -2.083 -4.614 3.181 1.00 10.00 C ATOM 0 H ALA A 86 -3.744 -6.245 2.402 1.00 10.00 H new ATOM 0 HA ALA A 86 -3.510 -4.836 4.769 1.00 10.00 H new ATOM 0 HB1 ALA A 86 -1.516 -3.845 3.705 1.00 10.00 H new ATOM 0 HB2 ALA A 86 -1.626 -5.587 3.361 1.00 10.00 H new ATOM 0 HB3 ALA A 86 -2.078 -4.403 2.112 1.00 10.00 H new ATOM 162 N PHE A 87 -4.393 -2.934 2.219 1.00 10.00 N ATOM 163 CA PHE A 87 -4.710 -1.613 1.721 1.00 10.00 C ATOM 164 C PHE A 87 -5.969 -1.097 2.401 1.00 10.00 C ATOM 165 O PHE A 87 -6.001 0.053 2.833 1.00 10.00 O ATOM 166 CB PHE A 87 -4.829 -1.692 0.193 1.00 10.00 C ATOM 167 CG PHE A 87 -3.500 -1.747 -0.547 1.00 10.00 C ATOM 168 CD1 PHE A 87 -2.380 -2.406 0.000 1.00 10.00 C ATOM 169 CD2 PHE A 87 -3.294 -0.900 -1.644 1.00 10.00 C ATOM 170 CE1 PHE A 87 -1.111 -2.273 -0.562 1.00 10.00 C ATOM 171 CE2 PHE A 87 -1.987 -0.479 -1.921 1.00 10.00 C ATOM 172 CZ PHE A 87 -0.887 -1.209 -1.431 1.00 10.00 C ATOM 0 H PHE A 87 -4.308 -3.620 1.469 1.00 10.00 H new ATOM 0 HA PHE A 87 -3.923 -0.896 1.955 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -5.411 -2.576 -0.067 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -5.390 -0.826 -0.159 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -2.508 -3.028 0.874 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -4.121 -0.580 -2.260 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -0.324 -2.975 -0.330 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -1.822 0.409 -2.513 1.00 10.00 H new ATOM 0 HZ PHE A 87 0.118 -0.946 -1.726 1.00 10.00 H new ATOM 182 N ARG A 88 -6.953 -1.990 2.547 1.00 10.00 N ATOM 183 CA ARG A 88 -8.203 -1.761 3.256 1.00 10.00 C ATOM 184 C ARG A 88 -8.035 -0.943 4.543 1.00 10.00 C ATOM 185 O ARG A 88 -8.875 -0.100 4.841 1.00 10.00 O ATOM 186 CB ARG A 88 -8.858 -3.125 3.537 1.00 10.00 C ATOM 187 CG ARG A 88 -10.260 -3.058 4.160 1.00 10.00 C ATOM 188 CD ARG A 88 -11.123 -2.015 3.446 1.00 10.00 C ATOM 189 NE ARG A 88 -12.556 -2.228 3.640 1.00 10.00 N ATOM 190 CZ ARG A 88 -13.468 -1.499 2.981 1.00 10.00 C ATOM 191 NH1 ARG A 88 -13.134 -0.356 2.379 1.00 10.00 N ATOM 192 NH2 ARG A 88 -14.728 -1.926 2.890 1.00 10.00 N ATOM 0 H ARG A 88 -6.891 -2.930 2.156 1.00 10.00 H new ATOM 0 HA ARG A 88 -8.848 -1.154 2.621 1.00 10.00 H new ATOM 0 HB2 ARG A 88 -8.919 -3.681 2.601 1.00 10.00 H new ATOM 0 HB3 ARG A 88 -8.208 -3.692 4.203 1.00 10.00 H new ATOM 0 HG2 ARG A 88 -10.738 -4.036 4.098 1.00 10.00 H new ATOM 0 HG3 ARG A 88 -10.181 -2.809 5.218 1.00 10.00 H new ATOM 0 HD2 ARG A 88 -10.857 -1.022 3.808 1.00 10.00 H new ATOM 0 HD3 ARG A 88 -10.900 -2.036 2.379 1.00 10.00 H new ATOM 0 HE ARG A 88 -12.869 -2.948 4.292 1.00 10.00 H new ATOM 0 HH11 ARG A 88 -12.171 -0.023 2.415 1.00 10.00 H new ATOM 0 HH12 ARG A 88 -13.842 0.185 1.882 1.00 10.00 H new ATOM 0 HH21 ARG A 88 -15.000 -2.809 3.322 1.00 10.00 H new ATOM 0 HH22 ARG A 88 -15.420 -1.370 2.388 1.00 10.00 H new ATOM 206 N ALA A 89 -6.973 -1.191 5.318 1.00 10.00 N ATOM 207 CA ALA A 89 -6.764 -0.541 6.608 1.00 10.00 C ATOM 208 C ALA A 89 -7.026 0.975 6.555 1.00 10.00 C ATOM 209 O ALA A 89 -7.806 1.489 7.354 1.00 10.00 O ATOM 210 CB ALA A 89 -5.355 -0.864 7.108 1.00 10.00 C ATOM 0 H ALA A 89 -6.236 -1.849 5.064 1.00 10.00 H new ATOM 0 HA ALA A 89 -7.493 -0.935 7.317 1.00 10.00 H new ATOM 0 HB1 ALA A 89 -5.191 -0.382 8.072 1.00 10.00 H new ATOM 0 HB2 ALA A 89 -5.247 -1.943 7.219 1.00 10.00 H new ATOM 0 HB3 ALA A 89 -4.621 -0.498 6.390 1.00 10.00 H new ATOM 216 N PHE A 90 -6.382 1.680 5.618 1.00 10.00 N ATOM 217 CA PHE A 90 -6.512 3.125 5.443 1.00 10.00 C ATOM 218 C PHE A 90 -6.990 3.478 4.031 1.00 10.00 C ATOM 219 O PHE A 90 -6.369 4.315 3.376 1.00 10.00 O ATOM 220 CB PHE A 90 -5.182 3.747 5.846 1.00 10.00 C ATOM 221 CG PHE A 90 -4.909 3.451 7.311 1.00 10.00 C ATOM 222 CD1 PHE A 90 -5.545 4.215 8.307 1.00 10.00 C ATOM 223 CD2 PHE A 90 -4.160 2.314 7.677 1.00 10.00 C ATOM 224 CE1 PHE A 90 -5.417 3.857 9.660 1.00 10.00 C ATOM 225 CE2 PHE A 90 -4.021 1.964 9.028 1.00 10.00 C ATOM 226 CZ PHE A 90 -4.666 2.724 10.019 1.00 10.00 C ATOM 0 H PHE A 90 -5.744 1.250 4.948 1.00 10.00 H new ATOM 0 HA PHE A 90 -7.288 3.543 6.084 1.00 10.00 H new ATOM 0 HB2 PHE A 90 -4.379 3.347 5.227 1.00 10.00 H new ATOM 0 HB3 PHE A 90 -5.207 4.824 5.680 1.00 10.00 H new ATOM 0 HD1 PHE A 90 -6.133 5.078 8.031 1.00 10.00 H new ATOM 0 HD2 PHE A 90 -3.691 1.710 6.914 1.00 10.00 H new ATOM 0 HE1 PHE A 90 -5.895 4.452 10.424 1.00 10.00 H new ATOM 0 HE2 PHE A 90 -3.419 1.112 9.307 1.00 10.00 H new ATOM 0 HZ PHE A 90 -4.585 2.437 11.057 1.00 10.00 H new ATOM 236 N ASP A 91 -8.080 2.847 3.566 1.00 10.00 N ATOM 237 CA ASP A 91 -8.611 3.010 2.219 1.00 10.00 C ATOM 238 C ASP A 91 -9.892 3.849 2.123 1.00 10.00 C ATOM 239 O ASP A 91 -10.323 4.473 3.092 1.00 10.00 O ATOM 240 CB ASP A 91 -8.801 1.624 1.603 1.00 10.00 C ATOM 241 CG ASP A 91 -10.202 1.033 1.668 1.00 10.00 C ATOM 242 OD1 ASP A 91 -10.858 1.065 2.727 1.00 10.00 O ATOM 243 OD2 ASP A 91 -10.648 0.573 0.602 1.00 10.00 O ATOM 0 H ASP A 91 -8.623 2.197 4.135 1.00 10.00 H new ATOM 0 HA ASP A 91 -7.880 3.590 1.655 1.00 10.00 H new ATOM 0 HB2 ASP A 91 -8.501 1.673 0.556 1.00 10.00 H new ATOM 0 HB3 ASP A 91 -8.118 0.935 2.099 1.00 10.00 H new ATOM 296 N GLY A 96 -10.131 6.017 -4.324 1.00 10.00 N ATOM 297 CA GLY A 96 -9.728 6.508 -3.042 1.00 10.00 C ATOM 298 C GLY A 96 -8.232 6.685 -3.150 1.00 10.00 C ATOM 299 O GLY A 96 -7.637 6.326 -4.164 1.00 10.00 O ATOM 0 HA2 GLY A 96 -10.222 7.451 -2.806 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -9.987 5.805 -2.250 1.00 10.00 H new ATOM 303 N HIS A 97 -7.623 7.171 -2.084 1.00 10.00 N ATOM 304 CA HIS A 97 -6.183 7.272 -1.956 1.00 10.00 C ATOM 305 C HIS A 97 -5.764 6.776 -0.586 1.00 10.00 C ATOM 306 O HIS A 97 -6.458 7.042 0.393 1.00 10.00 O ATOM 307 CB HIS A 97 -5.704 8.711 -2.171 1.00 10.00 C ATOM 308 CG HIS A 97 -5.803 9.178 -3.599 1.00 10.00 C ATOM 309 ND1 HIS A 97 -6.927 9.678 -4.217 1.00 10.00 N ATOM 310 CD2 HIS A 97 -4.793 9.163 -4.522 1.00 10.00 C ATOM 311 CE1 HIS A 97 -6.596 9.952 -5.490 1.00 10.00 C ATOM 312 NE2 HIS A 97 -5.312 9.641 -5.730 1.00 10.00 N ATOM 0 H HIS A 97 -8.128 7.513 -1.266 1.00 10.00 H new ATOM 0 HA HIS A 97 -5.722 6.653 -2.726 1.00 10.00 H new ATOM 0 HB2 HIS A 97 -6.291 9.378 -1.539 1.00 10.00 H new ATOM 0 HB3 HIS A 97 -4.668 8.792 -1.843 1.00 10.00 H new ATOM 0 HD2 HIS A 97 -3.777 8.840 -4.349 1.00 10.00 H new ATOM 0 HE1 HIS A 97 -7.272 10.367 -6.223 1.00 10.00 H new ATOM 0 HE2 HIS A 97 -4.815 9.735 -6.616 1.00 10.00 H new ATOM 320 N ILE A 98 -4.637 6.067 -0.537 1.00 10.00 N ATOM 321 CA ILE A 98 -3.999 5.644 0.694 1.00 10.00 C ATOM 322 C ILE A 98 -2.805 6.552 0.986 1.00 10.00 C ATOM 323 O ILE A 98 -2.291 7.286 0.140 1.00 10.00 O ATOM 324 CB ILE A 98 -3.562 4.166 0.632 1.00 10.00 C ATOM 325 CG1 ILE A 98 -4.637 3.308 -0.047 1.00 10.00 C ATOM 326 CG2 ILE A 98 -3.222 3.595 2.023 1.00 10.00 C ATOM 327 CD1 ILE A 98 -4.225 1.841 -0.154 1.00 10.00 C ATOM 0 H ILE A 98 -4.137 5.768 -1.374 1.00 10.00 H new ATOM 0 HA ILE A 98 -4.723 5.728 1.504 1.00 10.00 H new ATOM 0 HB ILE A 98 -2.650 4.132 0.035 1.00 10.00 H new ATOM 0 HG12 ILE A 98 -5.567 3.382 0.516 1.00 10.00 H new ATOM 0 HG13 ILE A 98 -4.836 3.701 -1.044 1.00 10.00 H new ATOM 0 HG21 ILE A 98 -2.920 2.552 1.924 1.00 10.00 H new ATOM 0 HG22 ILE A 98 -2.406 4.169 2.462 1.00 10.00 H new ATOM 0 HG23 ILE A 98 -4.099 3.660 2.667 1.00 10.00 H new ATOM 0 HD11 ILE A 98 -5.019 1.275 -0.642 1.00 10.00 H new ATOM 0 HD12 ILE A 98 -3.310 1.762 -0.741 1.00 10.00 H new ATOM 0 HD13 ILE A 98 -4.052 1.438 0.844 1.00 10.00 H new ATOM 339 N THR A 99 -2.389 6.414 2.232 1.00 10.00 N ATOM 340 CA THR A 99 -1.343 7.064 2.981 1.00 10.00 C ATOM 341 C THR A 99 -0.283 5.991 3.183 1.00 10.00 C ATOM 342 O THR A 99 -0.488 5.035 3.929 1.00 10.00 O ATOM 343 CB THR A 99 -2.064 7.577 4.234 1.00 10.00 C ATOM 344 OG1 THR A 99 -2.897 8.651 3.849 1.00 10.00 O ATOM 345 CG2 THR A 99 -1.161 8.048 5.351 1.00 10.00 C ATOM 0 H THR A 99 -2.858 5.732 2.828 1.00 10.00 H new ATOM 0 HA THR A 99 -0.826 7.914 2.536 1.00 10.00 H new ATOM 0 HB THR A 99 -2.614 6.727 4.638 1.00 10.00 H new ATOM 0 HG1 THR A 99 -3.371 8.995 4.635 1.00 10.00 H new ATOM 0 HG21 THR A 99 -1.768 8.390 6.189 1.00 10.00 H new ATOM 0 HG22 THR A 99 -0.524 7.225 5.676 1.00 10.00 H new ATOM 0 HG23 THR A 99 -0.539 8.869 4.994 1.00 10.00 H new ATOM 353 N VAL A 100 0.827 6.115 2.447 1.00 10.00 N ATOM 354 CA VAL A 100 1.872 5.102 2.398 1.00 10.00 C ATOM 355 C VAL A 100 2.337 4.699 3.807 1.00 10.00 C ATOM 356 O VAL A 100 2.712 3.549 4.046 1.00 10.00 O ATOM 357 CB VAL A 100 3.016 5.585 1.499 1.00 10.00 C ATOM 358 CG1 VAL A 100 4.258 4.708 1.626 1.00 10.00 C ATOM 359 CG2 VAL A 100 2.594 5.439 0.039 1.00 10.00 C ATOM 0 H VAL A 100 1.021 6.930 1.866 1.00 10.00 H new ATOM 0 HA VAL A 100 1.469 4.191 1.955 1.00 10.00 H new ATOM 0 HB VAL A 100 3.233 6.611 1.797 1.00 10.00 H new ATOM 0 HG11 VAL A 100 5.041 5.089 0.971 1.00 10.00 H new ATOM 0 HG12 VAL A 100 4.609 4.722 2.658 1.00 10.00 H new ATOM 0 HG13 VAL A 100 4.012 3.685 1.340 1.00 10.00 H new ATOM 0 HG21 VAL A 100 3.401 5.780 -0.609 1.00 10.00 H new ATOM 0 HG22 VAL A 100 2.376 4.393 -0.174 1.00 10.00 H new ATOM 0 HG23 VAL A 100 1.703 6.040 -0.144 1.00 10.00 H new ATOM 369 N ASP A 101 2.302 5.640 4.754 1.00 10.00 N ATOM 370 CA ASP A 101 2.773 5.348 6.110 1.00 10.00 C ATOM 371 C ASP A 101 1.789 4.407 6.823 1.00 10.00 C ATOM 372 O ASP A 101 2.143 3.341 7.315 1.00 10.00 O ATOM 373 CB ASP A 101 3.071 6.651 6.870 1.00 10.00 C ATOM 374 CG ASP A 101 4.153 6.484 7.933 1.00 10.00 C ATOM 375 OD1 ASP A 101 5.171 5.820 7.622 1.00 10.00 O ATOM 376 OD2 ASP A 101 3.988 7.052 9.028 1.00 10.00 O ATOM 0 H ASP A 101 1.960 6.591 4.612 1.00 10.00 H new ATOM 0 HA ASP A 101 3.721 4.812 6.070 1.00 10.00 H new ATOM 0 HB2 ASP A 101 3.382 7.417 6.160 1.00 10.00 H new ATOM 0 HB3 ASP A 101 2.156 7.007 7.343 1.00 10.00 H new ATOM 381 N GLU A 102 0.506 4.744 6.771 1.00 10.00 N ATOM 382 CA GLU A 102 -0.598 3.860 7.122 1.00 10.00 C ATOM 383 C GLU A 102 -0.514 2.508 6.406 1.00 10.00 C ATOM 384 O GLU A 102 -0.773 1.467 7.012 1.00 10.00 O ATOM 385 CB GLU A 102 -1.892 4.611 6.832 1.00 10.00 C ATOM 386 CG GLU A 102 -2.420 5.295 8.100 1.00 10.00 C ATOM 387 CD GLU A 102 -1.399 6.198 8.774 1.00 10.00 C ATOM 388 OE1 GLU A 102 -1.254 7.340 8.291 1.00 10.00 O ATOM 389 OE2 GLU A 102 -0.787 5.725 9.755 1.00 10.00 O ATOM 0 H GLU A 102 0.196 5.669 6.474 1.00 10.00 H new ATOM 0 HA GLU A 102 -0.555 3.604 8.181 1.00 10.00 H new ATOM 0 HB2 GLU A 102 -1.719 5.357 6.056 1.00 10.00 H new ATOM 0 HB3 GLU A 102 -2.641 3.919 6.448 1.00 10.00 H new ATOM 0 HG2 GLU A 102 -3.301 5.884 7.845 1.00 10.00 H new ATOM 0 HG3 GLU A 102 -2.741 4.531 8.808 1.00 10.00 H new ATOM 396 N LEU A 103 -0.131 2.498 5.131 1.00 10.00 N ATOM 397 CA LEU A 103 0.115 1.266 4.391 1.00 10.00 C ATOM 398 C LEU A 103 1.135 0.391 5.138 1.00 10.00 C ATOM 399 O LEU A 103 0.940 -0.811 5.306 1.00 10.00 O ATOM 400 CB LEU A 103 0.622 1.614 2.982 1.00 10.00 C ATOM 401 CG LEU A 103 -0.253 1.196 1.797 1.00 10.00 C ATOM 402 CD1 LEU A 103 0.443 1.555 0.480 1.00 10.00 C ATOM 403 CD2 LEU A 103 -0.596 -0.286 1.806 1.00 10.00 C ATOM 0 H LEU A 103 0.017 3.345 4.583 1.00 10.00 H new ATOM 0 HA LEU A 103 -0.813 0.701 4.305 1.00 10.00 H new ATOM 0 HB2 LEU A 103 0.764 2.694 2.932 1.00 10.00 H new ATOM 0 HB3 LEU A 103 1.603 1.157 2.854 1.00 10.00 H new ATOM 0 HG LEU A 103 -1.191 1.743 1.890 1.00 10.00 H new ATOM 0 HD11 LEU A 103 -0.186 1.254 -0.358 1.00 10.00 H new ATOM 0 HD12 LEU A 103 0.612 2.631 0.439 1.00 10.00 H new ATOM 0 HD13 LEU A 103 1.399 1.035 0.420 1.00 10.00 H new ATOM 0 HD21 LEU A 103 -1.218 -0.521 0.942 1.00 10.00 H new ATOM 0 HD22 LEU A 103 0.322 -0.872 1.763 1.00 10.00 H new ATOM 0 HD23 LEU A 103 -1.139 -0.528 2.720 1.00 10.00 H new ATOM 415 N ARG A 104 2.222 1.001 5.611 1.00 10.00 N ATOM 416 CA ARG A 104 3.228 0.318 6.417 1.00 10.00 C ATOM 417 C ARG A 104 2.591 -0.321 7.653 1.00 10.00 C ATOM 418 O ARG A 104 2.854 -1.488 7.943 1.00 10.00 O ATOM 419 CB ARG A 104 4.315 1.322 6.802 1.00 10.00 C ATOM 420 CG ARG A 104 5.564 0.705 7.447 1.00 10.00 C ATOM 421 CD ARG A 104 6.913 0.999 6.763 1.00 10.00 C ATOM 422 NE ARG A 104 6.927 2.271 6.011 1.00 10.00 N ATOM 423 CZ ARG A 104 6.654 3.473 6.538 1.00 10.00 C ATOM 424 NH1 ARG A 104 6.561 3.640 7.857 1.00 10.00 N ATOM 425 NH2 ARG A 104 6.407 4.517 5.749 1.00 10.00 N ATOM 0 H ARG A 104 2.428 1.986 5.444 1.00 10.00 H new ATOM 0 HA ARG A 104 3.678 -0.489 5.839 1.00 10.00 H new ATOM 0 HB2 ARG A 104 4.617 1.869 5.909 1.00 10.00 H new ATOM 0 HB3 ARG A 104 3.889 2.050 7.492 1.00 10.00 H new ATOM 0 HG2 ARG A 104 5.622 1.054 8.478 1.00 10.00 H new ATOM 0 HG3 ARG A 104 5.429 -0.376 7.483 1.00 10.00 H new ATOM 0 HD2 ARG A 104 7.697 1.025 7.520 1.00 10.00 H new ATOM 0 HD3 ARG A 104 7.153 0.181 6.083 1.00 10.00 H new ATOM 0 HE ARG A 104 7.161 2.232 5.019 1.00 10.00 H new ATOM 0 HH11 ARG A 104 6.698 2.846 8.483 1.00 10.00 H new ATOM 0 HH12 ARG A 104 6.353 4.562 8.241 1.00 10.00 H new ATOM 0 HH21 ARG A 104 6.425 4.406 4.735 1.00 10.00 H new ATOM 0 HH22 ARG A 104 6.200 5.428 6.158 1.00 10.00 H new ATOM 439 N ARG A 105 1.751 0.431 8.377 1.00 10.00 N ATOM 440 CA ARG A 105 1.027 -0.136 9.511 1.00 10.00 C ATOM 441 C ARG A 105 0.199 -1.338 9.050 1.00 10.00 C ATOM 442 O ARG A 105 0.247 -2.394 9.680 1.00 10.00 O ATOM 443 CB ARG A 105 0.144 0.902 10.227 1.00 10.00 C ATOM 444 CG ARG A 105 -0.434 0.277 11.510 1.00 10.00 C ATOM 445 CD ARG A 105 -1.497 1.141 12.195 1.00 10.00 C ATOM 446 NE ARG A 105 -2.259 0.319 13.154 1.00 10.00 N ATOM 447 CZ ARG A 105 -3.422 0.659 13.728 1.00 10.00 C ATOM 448 NH1 ARG A 105 -3.878 1.911 13.614 1.00 10.00 N ATOM 449 NH2 ARG A 105 -4.124 -0.256 14.408 1.00 10.00 N ATOM 0 H ARG A 105 1.561 1.417 8.198 1.00 10.00 H new ATOM 0 HA ARG A 105 1.765 -0.467 10.242 1.00 10.00 H new ATOM 0 HB2 ARG A 105 0.730 1.788 10.472 1.00 10.00 H new ATOM 0 HB3 ARG A 105 -0.663 1.225 9.570 1.00 10.00 H new ATOM 0 HG2 ARG A 105 -0.869 -0.692 11.266 1.00 10.00 H new ATOM 0 HG3 ARG A 105 0.380 0.094 12.212 1.00 10.00 H new ATOM 0 HD2 ARG A 105 -1.024 1.976 12.712 1.00 10.00 H new ATOM 0 HD3 ARG A 105 -2.170 1.567 11.450 1.00 10.00 H new ATOM 0 HE ARG A 105 -1.866 -0.589 13.403 1.00 10.00 H new ATOM 0 HH11 ARG A 105 -3.341 2.604 13.092 1.00 10.00 H new ATOM 0 HH12 ARG A 105 -4.762 2.173 14.049 1.00 10.00 H new ATOM 0 HH21 ARG A 105 -3.774 -1.211 14.489 1.00 10.00 H new ATOM 0 HH22 ARG A 105 -5.009 0.002 14.845 1.00 10.00 H new ATOM 463 N ALA A 106 -0.564 -1.180 7.962 1.00 10.00 N ATOM 464 CA ALA A 106 -1.473 -2.198 7.453 1.00 10.00 C ATOM 465 C ALA A 106 -0.816 -3.572 7.394 1.00 10.00 C ATOM 466 O ALA A 106 -1.426 -4.584 7.733 1.00 10.00 O ATOM 467 CB ALA A 106 -1.957 -1.824 6.054 1.00 10.00 C ATOM 0 H ALA A 106 -0.563 -0.325 7.406 1.00 10.00 H new ATOM 0 HA ALA A 106 -2.315 -2.246 8.144 1.00 10.00 H new ATOM 0 HB1 ALA A 106 -2.636 -2.594 5.686 1.00 10.00 H new ATOM 0 HB2 ALA A 106 -2.479 -0.868 6.093 1.00 10.00 H new ATOM 0 HB3 ALA A 106 -1.102 -1.743 5.383 1.00 10.00 H new ATOM 473 N MET A 107 0.438 -3.600 6.954 1.00 10.00 N ATOM 474 CA MET A 107 1.167 -4.824 6.671 1.00 10.00 C ATOM 475 C MET A 107 1.507 -5.598 7.954 1.00 10.00 C ATOM 476 O MET A 107 1.727 -6.808 7.901 1.00 10.00 O ATOM 477 CB MET A 107 2.341 -4.473 5.749 1.00 10.00 C ATOM 478 CG MET A 107 1.713 -4.006 4.414 1.00 10.00 C ATOM 479 SD MET A 107 2.663 -2.956 3.303 1.00 10.00 S ATOM 480 CE MET A 107 3.922 -4.116 2.771 1.00 10.00 C ATOM 0 H MET A 107 0.983 -2.755 6.782 1.00 10.00 H new ATOM 0 HA MET A 107 0.553 -5.543 6.128 1.00 10.00 H new ATOM 0 HB2 MET A 107 2.958 -3.687 6.185 1.00 10.00 H new ATOM 0 HB3 MET A 107 2.987 -5.337 5.595 1.00 10.00 H new ATOM 0 HG2 MET A 107 1.431 -4.899 3.857 1.00 10.00 H new ATOM 0 HG3 MET A 107 0.791 -3.476 4.655 1.00 10.00 H new ATOM 0 HE1 MET A 107 4.902 -3.644 2.834 1.00 10.00 H new ATOM 0 HE2 MET A 107 3.901 -4.996 3.414 1.00 10.00 H new ATOM 0 HE3 MET A 107 3.729 -4.415 1.741 1.00 10.00 H new ATOM 490 N ALA A 108 1.418 -4.952 9.127 1.00 10.00 N ATOM 491 CA ALA A 108 1.389 -5.658 10.406 1.00 10.00 C ATOM 492 C ALA A 108 0.225 -6.646 10.488 1.00 10.00 C ATOM 493 O ALA A 108 0.331 -7.670 11.158 1.00 10.00 O ATOM 494 CB ALA A 108 1.355 -4.660 11.566 1.00 10.00 C ATOM 0 H ALA A 108 1.365 -3.937 9.210 1.00 10.00 H new ATOM 0 HA ALA A 108 2.305 -6.244 10.483 1.00 10.00 H new ATOM 0 HB1 ALA A 108 1.334 -5.202 12.512 1.00 10.00 H new ATOM 0 HB2 ALA A 108 2.243 -4.029 11.529 1.00 10.00 H new ATOM 0 HB3 ALA A 108 0.464 -4.037 11.484 1.00 10.00 H new ATOM 500 N GLY A 109 -0.873 -6.359 9.788 1.00 10.00 N ATOM 501 CA GLY A 109 -1.992 -7.272 9.657 1.00 10.00 C ATOM 502 C GLY A 109 -1.608 -8.569 8.940 1.00 10.00 C ATOM 503 O GLY A 109 -2.255 -9.589 9.158 1.00 10.00 O ATOM 0 H GLY A 109 -1.005 -5.476 9.294 1.00 10.00 H new ATOM 0 HA2 GLY A 109 -2.381 -7.509 10.647 1.00 10.00 H new ATOM 0 HA3 GLY A 109 -2.795 -6.781 9.108 1.00 10.00 H new ATOM 507 N LEU A 110 -0.600 -8.535 8.058 1.00 10.00 N ATOM 508 CA LEU A 110 -0.269 -9.671 7.208 1.00 10.00 C ATOM 509 C LEU A 110 0.602 -10.690 7.937 1.00 10.00 C ATOM 510 O LEU A 110 0.172 -11.811 8.195 1.00 10.00 O ATOM 511 CB LEU A 110 0.405 -9.197 5.910 1.00 10.00 C ATOM 512 CG LEU A 110 -0.503 -8.343 5.010 1.00 10.00 C ATOM 513 CD1 LEU A 110 0.322 -7.853 3.812 1.00 10.00 C ATOM 514 CD2 LEU A 110 -1.709 -9.149 4.515 1.00 10.00 C ATOM 0 H LEU A 110 0.001 -7.723 7.919 1.00 10.00 H new ATOM 0 HA LEU A 110 -1.202 -10.172 6.949 1.00 10.00 H new ATOM 0 HB2 LEU A 110 1.294 -8.620 6.164 1.00 10.00 H new ATOM 0 HB3 LEU A 110 0.741 -10.068 5.348 1.00 10.00 H new ATOM 0 HG LEU A 110 -0.881 -7.498 5.585 1.00 10.00 H new ATOM 0 HD11 LEU A 110 -0.307 -7.245 3.162 1.00 10.00 H new ATOM 0 HD12 LEU A 110 1.161 -7.255 4.168 1.00 10.00 H new ATOM 0 HD13 LEU A 110 0.698 -8.711 3.254 1.00 10.00 H new ATOM 0 HD21 LEU A 110 -2.333 -8.519 3.881 1.00 10.00 H new ATOM 0 HD22 LEU A 110 -1.362 -10.009 3.942 1.00 10.00 H new ATOM 0 HD23 LEU A 110 -2.292 -9.494 5.369 1.00 10.00 H new ATOM 526 N GLY A 111 1.862 -10.335 8.199 1.00 10.00 N ATOM 527 CA GLY A 111 2.871 -11.308 8.543 1.00 10.00 C ATOM 528 C GLY A 111 4.224 -10.668 8.819 1.00 10.00 C ATOM 529 O GLY A 111 4.891 -11.019 9.786 1.00 10.00 O ATOM 0 H GLY A 111 2.197 -9.372 8.176 1.00 10.00 H new ATOM 0 HA2 GLY A 111 2.549 -11.865 9.423 1.00 10.00 H new ATOM 0 HA3 GLY A 111 2.971 -12.027 7.730 1.00 10.00 H new ATOM 533 N GLN A 112 4.627 -9.730 7.958 1.00 10.00 N ATOM 534 CA GLN A 112 5.866 -8.981 8.086 1.00 10.00 C ATOM 535 C GLN A 112 5.548 -7.562 8.596 1.00 10.00 C ATOM 536 O GLN A 112 5.359 -6.656 7.790 1.00 10.00 O ATOM 537 CB GLN A 112 6.609 -9.007 6.737 1.00 10.00 C ATOM 538 CG GLN A 112 5.734 -8.652 5.518 1.00 10.00 C ATOM 539 CD GLN A 112 6.540 -8.296 4.272 1.00 10.00 C ATOM 540 OE1 GLN A 112 7.760 -8.430 4.246 1.00 10.00 O ATOM 541 NE2 GLN A 112 5.846 -7.833 3.238 1.00 10.00 N ATOM 0 H GLN A 112 4.083 -9.469 7.135 1.00 10.00 H new ATOM 0 HA GLN A 112 6.534 -9.432 8.820 1.00 10.00 H new ATOM 0 HB2 GLN A 112 7.445 -8.309 6.784 1.00 10.00 H new ATOM 0 HB3 GLN A 112 7.031 -10.001 6.588 1.00 10.00 H new ATOM 0 HG2 GLN A 112 5.082 -9.496 5.291 1.00 10.00 H new ATOM 0 HG3 GLN A 112 5.089 -7.812 5.776 1.00 10.00 H new ATOM 0 HE21 GLN A 112 4.833 -7.739 3.305 1.00 10.00 H new ATOM 0 HE22 GLN A 112 6.327 -7.572 2.377 1.00 10.00 H new ATOM 550 N PRO A 113 5.437 -7.333 9.916 1.00 10.00 N ATOM 551 CA PRO A 113 5.086 -6.028 10.453 1.00 10.00 C ATOM 552 C PRO A 113 6.210 -5.029 10.216 1.00 10.00 C ATOM 553 O PRO A 113 7.369 -5.342 10.478 1.00 10.00 O ATOM 554 CB PRO A 113 4.846 -6.251 11.952 1.00 10.00 C ATOM 555 CG PRO A 113 5.754 -7.439 12.269 1.00 10.00 C ATOM 556 CD PRO A 113 5.649 -8.279 10.998 1.00 10.00 C ATOM 0 HA PRO A 113 4.202 -5.613 9.968 1.00 10.00 H new ATOM 0 HB2 PRO A 113 5.111 -5.372 12.539 1.00 10.00 H new ATOM 0 HB3 PRO A 113 3.800 -6.473 12.165 1.00 10.00 H new ATOM 0 HG2 PRO A 113 6.779 -7.126 12.466 1.00 10.00 H new ATOM 0 HG3 PRO A 113 5.414 -7.987 13.148 1.00 10.00 H new ATOM 0 HD2 PRO A 113 6.557 -8.860 10.837 1.00 10.00 H new ATOM 0 HD3 PRO A 113 4.824 -8.988 11.065 1.00 10.00 H new ATOM 564 N LEU A 114 5.868 -3.825 9.736 1.00 10.00 N ATOM 565 CA LEU A 114 6.842 -2.780 9.467 1.00 10.00 C ATOM 566 C LEU A 114 8.000 -3.319 8.621 1.00 10.00 C ATOM 567 O LEU A 114 9.163 -3.234 9.017 1.00 10.00 O ATOM 568 CB LEU A 114 7.265 -2.150 10.806 1.00 10.00 C ATOM 569 CG LEU A 114 6.173 -1.160 11.237 1.00 10.00 C ATOM 570 CD1 LEU A 114 5.947 -1.170 12.748 1.00 10.00 C ATOM 571 CD2 LEU A 114 6.581 0.230 10.752 1.00 10.00 C ATOM 0 H LEU A 114 4.906 -3.557 9.526 1.00 10.00 H new ATOM 0 HA LEU A 114 6.408 -1.984 8.862 1.00 10.00 H new ATOM 0 HB2 LEU A 114 7.399 -2.922 11.564 1.00 10.00 H new ATOM 0 HB3 LEU A 114 8.222 -1.638 10.700 1.00 10.00 H new ATOM 0 HG LEU A 114 5.224 -1.456 10.790 1.00 10.00 H new ATOM 0 HD11 LEU A 114 5.166 -0.454 13.004 1.00 10.00 H new ATOM 0 HD12 LEU A 114 5.642 -2.168 13.064 1.00 10.00 H new ATOM 0 HD13 LEU A 114 6.871 -0.895 13.256 1.00 10.00 H new ATOM 0 HD21 LEU A 114 5.822 0.955 11.045 1.00 10.00 H new ATOM 0 HD22 LEU A 114 7.537 0.505 11.198 1.00 10.00 H new ATOM 0 HD23 LEU A 114 6.676 0.223 9.666 1.00 10.00 H new ATOM 583 N PRO A 115 7.695 -3.861 7.430 1.00 10.00 N ATOM 584 CA PRO A 115 8.684 -4.510 6.600 1.00 10.00 C ATOM 585 C PRO A 115 9.401 -3.424 5.823 1.00 10.00 C ATOM 586 O PRO A 115 9.150 -3.217 4.637 1.00 10.00 O ATOM 587 CB PRO A 115 7.876 -5.429 5.704 1.00 10.00 C ATOM 588 CG PRO A 115 6.582 -4.650 5.463 1.00 10.00 C ATOM 589 CD PRO A 115 6.405 -3.830 6.745 1.00 10.00 C ATOM 0 HA PRO A 115 9.441 -5.080 7.138 1.00 10.00 H new ATOM 0 HB2 PRO A 115 8.398 -5.639 4.770 1.00 10.00 H new ATOM 0 HB3 PRO A 115 7.683 -6.389 6.184 1.00 10.00 H new ATOM 0 HG2 PRO A 115 6.659 -4.008 4.585 1.00 10.00 H new ATOM 0 HG3 PRO A 115 5.738 -5.319 5.296 1.00 10.00 H new ATOM 0 HD2 PRO A 115 6.111 -2.806 6.515 1.00 10.00 H new ATOM 0 HD3 PRO A 115 5.621 -4.253 7.373 1.00 10.00 H new ATOM 597 N GLN A 116 10.246 -2.679 6.535 1.00 10.00 N ATOM 598 CA GLN A 116 10.715 -1.391 6.077 1.00 10.00 C ATOM 599 C GLN A 116 11.315 -1.449 4.677 1.00 10.00 C ATOM 600 O GLN A 116 11.222 -0.473 3.957 1.00 10.00 O ATOM 601 CB GLN A 116 11.643 -0.752 7.116 1.00 10.00 C ATOM 602 CG GLN A 116 13.103 -1.238 7.117 1.00 10.00 C ATOM 603 CD GLN A 116 14.069 -0.359 6.307 1.00 10.00 C ATOM 604 OE1 GLN A 116 15.256 -0.316 6.614 1.00 10.00 O ATOM 605 NE2 GLN A 116 13.582 0.365 5.303 1.00 10.00 N ATOM 0 H GLN A 116 10.618 -2.959 7.442 1.00 10.00 H new ATOM 0 HA GLN A 116 9.850 -0.734 5.979 1.00 10.00 H new ATOM 0 HB2 GLN A 116 11.642 0.327 6.958 1.00 10.00 H new ATOM 0 HB3 GLN A 116 11.223 -0.930 8.106 1.00 10.00 H new ATOM 0 HG2 GLN A 116 13.455 -1.288 8.147 1.00 10.00 H new ATOM 0 HG3 GLN A 116 13.135 -2.252 6.719 1.00 10.00 H new ATOM 0 HE21 GLN A 116 12.591 0.310 5.069 1.00 10.00 H new ATOM 0 HE22 GLN A 116 14.200 0.975 4.767 1.00 10.00 H new ATOM 614 N GLU A 117 11.935 -2.562 4.312 1.00 10.00 N ATOM 615 CA GLU A 117 12.525 -2.803 2.997 1.00 10.00 C ATOM 616 C GLU A 117 11.458 -2.962 1.923 1.00 10.00 C ATOM 617 O GLU A 117 11.503 -2.273 0.906 1.00 10.00 O ATOM 618 CB GLU A 117 13.426 -4.036 3.098 1.00 10.00 C ATOM 619 CG GLU A 117 14.618 -3.718 4.007 1.00 10.00 C ATOM 620 CD GLU A 117 15.357 -4.984 4.417 1.00 10.00 C ATOM 621 OE1 GLU A 117 15.612 -5.810 3.514 1.00 10.00 O ATOM 622 OE2 GLU A 117 15.628 -5.113 5.630 1.00 10.00 O ATOM 0 H GLU A 117 12.047 -3.354 4.945 1.00 10.00 H new ATOM 0 HA GLU A 117 13.121 -1.942 2.696 1.00 10.00 H new ATOM 0 HB2 GLU A 117 12.864 -4.880 3.498 1.00 10.00 H new ATOM 0 HB3 GLU A 117 13.776 -4.327 2.108 1.00 10.00 H new ATOM 0 HG2 GLU A 117 15.303 -3.046 3.490 1.00 10.00 H new ATOM 0 HG3 GLU A 117 14.269 -3.194 4.897 1.00 10.00 H new ATOM 629 N GLU A 118 10.476 -3.834 2.150 1.00 10.00 N ATOM 630 CA GLU A 118 9.372 -3.973 1.215 1.00 10.00 C ATOM 631 C GLU A 118 8.670 -2.630 1.087 1.00 10.00 C ATOM 632 O GLU A 118 8.304 -2.221 -0.007 1.00 10.00 O ATOM 633 CB GLU A 118 8.398 -5.056 1.686 1.00 10.00 C ATOM 634 CG GLU A 118 8.830 -6.460 1.237 1.00 10.00 C ATOM 635 CD GLU A 118 7.811 -7.049 0.271 1.00 10.00 C ATOM 636 OE1 GLU A 118 6.685 -7.305 0.753 1.00 10.00 O ATOM 637 OE2 GLU A 118 8.150 -7.186 -0.921 1.00 10.00 O ATOM 0 H GLU A 118 10.426 -4.446 2.965 1.00 10.00 H new ATOM 0 HA GLU A 118 9.752 -4.278 0.240 1.00 10.00 H new ATOM 0 HB2 GLU A 118 8.327 -5.030 2.773 1.00 10.00 H new ATOM 0 HB3 GLU A 118 7.403 -4.842 1.296 1.00 10.00 H new ATOM 0 HG2 GLU A 118 9.808 -6.410 0.757 1.00 10.00 H new ATOM 0 HG3 GLU A 118 8.934 -7.110 2.106 1.00 10.00 H new ATOM 644 N LEU A 119 8.482 -1.923 2.200 1.00 10.00 N ATOM 645 CA LEU A 119 7.787 -0.655 2.153 1.00 10.00 C ATOM 646 C LEU A 119 8.650 0.458 1.561 1.00 10.00 C ATOM 647 O LEU A 119 8.106 1.296 0.866 1.00 10.00 O ATOM 648 CB LEU A 119 7.219 -0.298 3.519 1.00 10.00 C ATOM 649 CG LEU A 119 5.854 0.419 3.445 1.00 10.00 C ATOM 650 CD1 LEU A 119 5.867 1.801 2.789 1.00 10.00 C ATOM 651 CD2 LEU A 119 4.772 -0.441 2.791 1.00 10.00 C ATOM 0 H LEU A 119 8.798 -2.207 3.127 1.00 10.00 H new ATOM 0 HA LEU A 119 6.943 -0.764 1.472 1.00 10.00 H new ATOM 0 HB2 LEU A 119 7.112 -1.208 4.109 1.00 10.00 H new ATOM 0 HB3 LEU A 119 7.929 0.341 4.044 1.00 10.00 H new ATOM 0 HG LEU A 119 5.613 0.580 4.496 1.00 10.00 H new ATOM 0 HD11 LEU A 119 4.858 2.214 2.790 1.00 10.00 H new ATOM 0 HD12 LEU A 119 6.530 2.462 3.347 1.00 10.00 H new ATOM 0 HD13 LEU A 119 6.222 1.713 1.762 1.00 10.00 H new ATOM 0 HD21 LEU A 119 3.833 0.113 2.765 1.00 10.00 H new ATOM 0 HD22 LEU A 119 5.073 -0.693 1.774 1.00 10.00 H new ATOM 0 HD23 LEU A 119 4.638 -1.357 3.367 1.00 10.00 H new ATOM 663 N ASP A 120 9.963 0.485 1.797 1.00 10.00 N ATOM 664 CA ASP A 120 10.896 1.408 1.144 1.00 10.00 C ATOM 665 C ASP A 120 10.810 1.188 -0.363 1.00 10.00 C ATOM 666 O ASP A 120 10.759 2.127 -1.156 1.00 10.00 O ATOM 667 CB ASP A 120 12.348 1.201 1.612 1.00 10.00 C ATOM 668 CG ASP A 120 12.726 1.956 2.885 1.00 10.00 C ATOM 669 OD1 ASP A 120 11.825 2.542 3.524 1.00 10.00 O ATOM 670 OD2 ASP A 120 13.935 1.924 3.214 1.00 10.00 O ATOM 0 H ASP A 120 10.417 -0.145 2.459 1.00 10.00 H new ATOM 0 HA ASP A 120 10.615 2.427 1.411 1.00 10.00 H new ATOM 0 HB2 ASP A 120 12.514 0.136 1.776 1.00 10.00 H new ATOM 0 HB3 ASP A 120 13.020 1.509 0.811 1.00 10.00 H new ATOM 675 N ALA A 121 10.784 -0.082 -0.756 1.00 10.00 N ATOM 676 CA ALA A 121 10.622 -0.484 -2.135 1.00 10.00 C ATOM 677 C ALA A 121 9.278 0.036 -2.680 1.00 10.00 C ATOM 678 O ALA A 121 9.261 0.844 -3.612 1.00 10.00 O ATOM 679 CB ALA A 121 10.823 -2.001 -2.209 1.00 10.00 C ATOM 0 H ALA A 121 10.877 -0.866 -0.110 1.00 10.00 H new ATOM 0 HA ALA A 121 11.370 -0.039 -2.791 1.00 10.00 H new ATOM 0 HB1 ALA A 121 10.706 -2.334 -3.240 1.00 10.00 H new ATOM 0 HB2 ALA A 121 11.823 -2.253 -1.857 1.00 10.00 H new ATOM 0 HB3 ALA A 121 10.082 -2.497 -1.582 1.00 10.00 H new ATOM 685 N MET A 122 8.149 -0.352 -2.068 1.00 10.00 N ATOM 686 CA MET A 122 6.831 0.128 -2.448 1.00 10.00 C ATOM 687 C MET A 122 6.752 1.652 -2.405 1.00 10.00 C ATOM 688 O MET A 122 6.062 2.221 -3.237 1.00 10.00 O ATOM 689 CB MET A 122 5.720 -0.529 -1.601 1.00 10.00 C ATOM 690 CG MET A 122 5.098 -1.729 -2.334 1.00 10.00 C ATOM 691 SD MET A 122 6.066 -3.254 -2.413 1.00 10.00 S ATOM 692 CE MET A 122 5.663 -3.949 -0.797 1.00 10.00 C ATOM 0 H MET A 122 8.135 -1.013 -1.291 1.00 10.00 H new ATOM 0 HA MET A 122 6.664 -0.171 -3.483 1.00 10.00 H new ATOM 0 HB2 MET A 122 6.132 -0.856 -0.647 1.00 10.00 H new ATOM 0 HB3 MET A 122 4.946 0.206 -1.379 1.00 10.00 H new ATOM 0 HG2 MET A 122 4.147 -1.959 -1.855 1.00 10.00 H new ATOM 0 HG3 MET A 122 4.874 -1.420 -3.355 1.00 10.00 H new ATOM 0 HE1 MET A 122 6.178 -4.901 -0.672 1.00 10.00 H new ATOM 0 HE2 MET A 122 5.980 -3.259 -0.015 1.00 10.00 H new ATOM 0 HE3 MET A 122 4.587 -4.107 -0.727 1.00 10.00 H new ATOM 702 N ILE A 123 7.456 2.316 -1.483 1.00 10.00 N ATOM 703 CA ILE A 123 7.495 3.769 -1.335 1.00 10.00 C ATOM 704 C ILE A 123 7.771 4.410 -2.699 1.00 10.00 C ATOM 705 O ILE A 123 7.181 5.432 -3.032 1.00 10.00 O ATOM 706 CB ILE A 123 8.513 4.205 -0.245 1.00 10.00 C ATOM 707 CG1 ILE A 123 7.831 4.723 1.033 1.00 10.00 C ATOM 708 CG2 ILE A 123 9.569 5.217 -0.713 1.00 10.00 C ATOM 709 CD1 ILE A 123 7.307 6.161 0.914 1.00 10.00 C ATOM 0 H ILE A 123 8.035 1.835 -0.795 1.00 10.00 H new ATOM 0 HA ILE A 123 6.525 4.124 -0.987 1.00 10.00 H new ATOM 0 HB ILE A 123 9.044 3.281 -0.018 1.00 10.00 H new ATOM 0 HG12 ILE A 123 7.001 4.063 1.284 1.00 10.00 H new ATOM 0 HG13 ILE A 123 8.540 4.671 1.859 1.00 10.00 H new ATOM 0 HG21 ILE A 123 10.233 5.460 0.117 1.00 10.00 H new ATOM 0 HG22 ILE A 123 10.150 4.786 -1.528 1.00 10.00 H new ATOM 0 HG23 ILE A 123 9.075 6.124 -1.060 1.00 10.00 H new ATOM 0 HD11 ILE A 123 6.839 6.457 1.853 1.00 10.00 H new ATOM 0 HD12 ILE A 123 8.136 6.833 0.694 1.00 10.00 H new ATOM 0 HD13 ILE A 123 6.573 6.215 0.110 1.00 10.00 H new ATOM 721 N ARG A 124 8.680 3.816 -3.482 1.00 10.00 N ATOM 722 CA ARG A 124 9.112 4.398 -4.742 1.00 10.00 C ATOM 723 C ARG A 124 8.153 4.094 -5.892 1.00 10.00 C ATOM 724 O ARG A 124 7.947 4.945 -6.752 1.00 10.00 O ATOM 725 CB ARG A 124 10.564 3.992 -5.039 1.00 10.00 C ATOM 726 CG ARG A 124 11.335 5.204 -5.574 1.00 10.00 C ATOM 727 CD ARG A 124 11.563 6.250 -4.465 1.00 10.00 C ATOM 728 NE ARG A 124 11.345 7.615 -4.967 1.00 10.00 N ATOM 729 CZ ARG A 124 12.264 8.342 -5.619 1.00 10.00 C ATOM 730 NH1 ARG A 124 13.446 7.792 -5.925 1.00 10.00 N ATOM 731 NH2 ARG A 124 11.996 9.606 -5.959 1.00 10.00 N ATOM 0 H ARG A 124 9.128 2.928 -3.256 1.00 10.00 H new ATOM 0 HA ARG A 124 9.087 5.483 -4.643 1.00 10.00 H new ATOM 0 HB2 ARG A 124 11.040 3.616 -4.133 1.00 10.00 H new ATOM 0 HB3 ARG A 124 10.584 3.183 -5.770 1.00 10.00 H new ATOM 0 HG2 ARG A 124 12.295 4.880 -5.975 1.00 10.00 H new ATOM 0 HG3 ARG A 124 10.782 5.657 -6.397 1.00 10.00 H new ATOM 0 HD2 ARG A 124 10.887 6.054 -3.632 1.00 10.00 H new ATOM 0 HD3 ARG A 124 12.579 6.160 -4.080 1.00 10.00 H new ATOM 0 HE ARG A 124 10.431 8.038 -4.808 1.00 10.00 H new ATOM 0 HH11 ARG A 124 13.642 6.826 -5.662 1.00 10.00 H new ATOM 0 HH12 ARG A 124 14.150 8.339 -6.421 1.00 10.00 H new ATOM 0 HH21 ARG A 124 11.093 10.017 -5.723 1.00 10.00 H new ATOM 0 HH22 ARG A 124 12.694 10.160 -6.455 1.00 10.00 H new ATOM 745 N GLU A 125 7.546 2.905 -5.906 1.00 10.00 N ATOM 746 CA GLU A 125 6.426 2.631 -6.804 1.00 10.00 C ATOM 747 C GLU A 125 5.254 3.567 -6.471 1.00 10.00 C ATOM 748 O GLU A 125 4.544 4.056 -7.348 1.00 10.00 O ATOM 749 CB GLU A 125 6.014 1.157 -6.670 1.00 10.00 C ATOM 750 CG GLU A 125 7.009 0.218 -7.374 1.00 10.00 C ATOM 751 CD GLU A 125 6.923 0.278 -8.899 1.00 10.00 C ATOM 752 OE1 GLU A 125 5.940 0.861 -9.404 1.00 10.00 O ATOM 753 OE2 GLU A 125 7.855 -0.263 -9.532 1.00 10.00 O ATOM 0 H GLU A 125 7.811 2.122 -5.309 1.00 10.00 H new ATOM 0 HA GLU A 125 6.724 2.814 -7.837 1.00 10.00 H new ATOM 0 HB2 GLU A 125 5.949 0.892 -5.615 1.00 10.00 H new ATOM 0 HB3 GLU A 125 5.020 1.018 -7.095 1.00 10.00 H new ATOM 0 HG2 GLU A 125 8.022 0.475 -7.064 1.00 10.00 H new ATOM 0 HG3 GLU A 125 6.826 -0.805 -7.047 1.00 10.00 H new ATOM 760 N ALA A 126 5.060 3.833 -5.179 1.00 10.00 N ATOM 761 CA ALA A 126 3.956 4.573 -4.592 1.00 10.00 C ATOM 762 C ALA A 126 4.061 6.087 -4.820 1.00 10.00 C ATOM 763 O ALA A 126 3.753 6.862 -3.914 1.00 10.00 O ATOM 764 CB ALA A 126 3.946 4.256 -3.090 1.00 10.00 C ATOM 0 H ALA A 126 5.720 3.512 -4.470 1.00 10.00 H new ATOM 0 HA ALA A 126 3.027 4.267 -5.073 1.00 10.00 H new ATOM 0 HB1 ALA A 126 3.129 4.794 -2.610 1.00 10.00 H new ATOM 0 HB2 ALA A 126 3.809 3.184 -2.945 1.00 10.00 H new ATOM 0 HB3 ALA A 126 4.893 4.564 -2.647 1.00 10.00 H new ATOM 770 N ASP A 127 4.439 6.520 -6.026 1.00 10.00 N ATOM 771 CA ASP A 127 4.632 7.927 -6.366 1.00 10.00 C ATOM 772 C ASP A 127 3.626 8.308 -7.464 1.00 10.00 C ATOM 773 O ASP A 127 3.999 8.684 -8.572 1.00 10.00 O ATOM 774 CB ASP A 127 6.117 8.168 -6.744 1.00 10.00 C ATOM 775 CG ASP A 127 6.866 9.134 -5.826 1.00 10.00 C ATOM 776 OD1 ASP A 127 6.208 10.075 -5.328 1.00 10.00 O ATOM 777 OD2 ASP A 127 8.101 8.960 -5.682 1.00 10.00 O ATOM 0 H ASP A 127 4.622 5.888 -6.806 1.00 10.00 H new ATOM 0 HA ASP A 127 4.432 8.582 -5.518 1.00 10.00 H new ATOM 0 HB2 ASP A 127 6.637 7.210 -6.742 1.00 10.00 H new ATOM 0 HB3 ASP A 127 6.160 8.552 -7.763 1.00 10.00 H new ATOM 782 N VAL A 128 2.323 8.199 -7.165 1.00 10.00 N ATOM 783 CA VAL A 128 1.276 8.614 -8.102 1.00 10.00 C ATOM 784 C VAL A 128 1.147 10.134 -8.089 1.00 10.00 C ATOM 785 O VAL A 128 1.175 10.734 -9.161 1.00 10.00 O ATOM 786 CB VAL A 128 -0.059 7.900 -7.840 1.00 10.00 C ATOM 787 CG1 VAL A 128 -1.229 8.535 -8.609 1.00 10.00 C ATOM 788 CG2 VAL A 128 0.042 6.431 -8.271 1.00 10.00 C ATOM 0 H VAL A 128 1.972 7.827 -6.282 1.00 10.00 H new ATOM 0 HA VAL A 128 1.569 8.309 -9.107 1.00 10.00 H new ATOM 0 HB VAL A 128 -0.254 7.990 -6.771 1.00 10.00 H new ATOM 0 HG11 VAL A 128 -2.148 7.992 -8.388 1.00 10.00 H new ATOM 0 HG12 VAL A 128 -1.341 9.576 -8.306 1.00 10.00 H new ATOM 0 HG13 VAL A 128 -1.029 8.488 -9.679 1.00 10.00 H new ATOM 0 HG21 VAL A 128 -0.908 5.930 -8.083 1.00 10.00 H new ATOM 0 HG22 VAL A 128 0.275 6.379 -9.335 1.00 10.00 H new ATOM 0 HG23 VAL A 128 0.831 5.938 -7.702 1.00 10.00 H new ATOM 798 N ASP A 129 0.997 10.765 -6.911 1.00 10.00 N ATOM 799 CA ASP A 129 1.103 12.225 -6.870 1.00 10.00 C ATOM 800 C ASP A 129 2.563 12.626 -7.130 1.00 10.00 C ATOM 801 O ASP A 129 2.938 12.867 -8.271 1.00 10.00 O ATOM 802 CB ASP A 129 0.563 12.796 -5.547 1.00 10.00 C ATOM 803 CG ASP A 129 -0.923 13.120 -5.610 1.00 10.00 C ATOM 804 OD1 ASP A 129 -1.282 14.156 -6.203 1.00 10.00 O ATOM 805 OD2 ASP A 129 -1.716 12.404 -4.961 1.00 10.00 O ATOM 0 H ASP A 129 0.811 10.310 -6.017 1.00 10.00 H new ATOM 0 HA ASP A 129 0.480 12.656 -7.653 1.00 10.00 H new ATOM 0 HB2 ASP A 129 0.740 12.078 -4.747 1.00 10.00 H new ATOM 0 HB3 ASP A 129 1.117 13.700 -5.293 1.00 10.00 H new ATOM 810 N GLN A 130 3.367 12.687 -6.065 1.00 10.00 N ATOM 811 CA GLN A 130 4.798 13.002 -6.012 1.00 10.00 C ATOM 812 C GLN A 130 5.135 13.195 -4.527 1.00 10.00 C ATOM 813 O GLN A 130 5.163 14.334 -4.065 1.00 10.00 O ATOM 814 CB GLN A 130 5.184 14.280 -6.795 1.00 10.00 C ATOM 815 CG GLN A 130 5.464 14.091 -8.295 1.00 10.00 C ATOM 816 CD GLN A 130 6.673 14.901 -8.751 1.00 10.00 C ATOM 817 OE1 GLN A 130 6.600 16.117 -8.895 1.00 10.00 O ATOM 818 NE2 GLN A 130 7.806 14.243 -8.985 1.00 10.00 N ATOM 0 H GLN A 130 2.999 12.500 -5.132 1.00 10.00 H new ATOM 0 HA GLN A 130 5.356 12.191 -6.480 1.00 10.00 H new ATOM 0 HB2 GLN A 130 4.380 15.007 -6.684 1.00 10.00 H new ATOM 0 HB3 GLN A 130 6.071 14.713 -6.332 1.00 10.00 H new ATOM 0 HG2 GLN A 130 5.635 13.035 -8.503 1.00 10.00 H new ATOM 0 HG3 GLN A 130 4.588 14.391 -8.869 1.00 10.00 H new ATOM 0 HE21 GLN A 130 7.844 13.232 -8.859 1.00 10.00 H new ATOM 0 HE22 GLN A 130 8.637 14.750 -9.291 1.00 10.00 H new ATOM 827 N ASP A 131 5.336 12.097 -3.787 1.00 10.00 N ATOM 828 CA ASP A 131 5.546 12.049 -2.336 1.00 10.00 C ATOM 829 C ASP A 131 5.413 10.587 -1.877 1.00 10.00 C ATOM 830 O ASP A 131 6.391 9.844 -1.864 1.00 10.00 O ATOM 831 CB ASP A 131 4.572 13.003 -1.605 1.00 10.00 C ATOM 832 CG ASP A 131 4.377 12.681 -0.133 1.00 10.00 C ATOM 833 OD1 ASP A 131 5.285 12.997 0.661 1.00 10.00 O ATOM 834 OD2 ASP A 131 3.311 12.085 0.141 1.00 10.00 O ATOM 0 H ASP A 131 5.357 11.168 -4.208 1.00 10.00 H new ATOM 0 HA ASP A 131 6.546 12.400 -2.082 1.00 10.00 H new ATOM 0 HB2 ASP A 131 4.943 14.024 -1.697 1.00 10.00 H new ATOM 0 HB3 ASP A 131 3.604 12.969 -2.105 1.00 10.00 H new ATOM 839 N GLY A 132 4.197 10.175 -1.522 1.00 10.00 N ATOM 840 CA GLY A 132 3.858 8.846 -1.049 1.00 10.00 C ATOM 841 C GLY A 132 2.341 8.782 -0.921 1.00 10.00 C ATOM 842 O GLY A 132 1.801 8.372 0.109 1.00 10.00 O ATOM 0 H GLY A 132 3.387 10.793 -1.561 1.00 10.00 H new ATOM 0 HA2 GLY A 132 4.217 8.088 -1.745 1.00 10.00 H new ATOM 0 HA3 GLY A 132 4.333 8.648 -0.088 1.00 10.00 H new ATOM 846 N ARG A 133 1.657 9.232 -1.979 1.00 10.00 N ATOM 847 CA ARG A 133 0.217 9.403 -2.026 1.00 10.00 C ATOM 848 C ARG A 133 -0.293 8.713 -3.284 1.00 10.00 C ATOM 849 O ARG A 133 0.097 9.077 -4.397 1.00 10.00 O ATOM 850 CB ARG A 133 -0.134 10.897 -1.949 1.00 10.00 C ATOM 851 CG ARG A 133 -1.272 11.208 -0.962 1.00 10.00 C ATOM 852 CD ARG A 133 -2.650 10.995 -1.597 1.00 10.00 C ATOM 853 NE ARG A 133 -2.881 11.979 -2.667 1.00 10.00 N ATOM 854 CZ ARG A 133 -3.324 13.238 -2.537 1.00 10.00 C ATOM 855 NH1 ARG A 133 -3.804 13.675 -1.365 1.00 10.00 N ATOM 856 NH2 ARG A 133 -3.258 14.050 -3.593 1.00 10.00 N ATOM 0 H ARG A 133 2.115 9.494 -2.852 1.00 10.00 H new ATOM 0 HA ARG A 133 -0.277 8.941 -1.171 1.00 10.00 H new ATOM 0 HB2 ARG A 133 0.754 11.456 -1.656 1.00 10.00 H new ATOM 0 HB3 ARG A 133 -0.418 11.247 -2.941 1.00 10.00 H new ATOM 0 HG2 ARG A 133 -1.175 10.571 -0.083 1.00 10.00 H new ATOM 0 HG3 ARG A 133 -1.185 12.239 -0.620 1.00 10.00 H new ATOM 0 HD2 ARG A 133 -2.718 9.985 -2.002 1.00 10.00 H new ATOM 0 HD3 ARG A 133 -3.426 11.087 -0.837 1.00 10.00 H new ATOM 0 HE ARG A 133 -2.681 11.667 -3.617 1.00 10.00 H new ATOM 0 HH11 ARG A 133 -3.835 13.048 -0.561 1.00 10.00 H new ATOM 0 HH12 ARG A 133 -4.138 14.635 -1.277 1.00 10.00 H new ATOM 0 HH21 ARG A 133 -2.877 13.709 -4.475 1.00 10.00 H new ATOM 0 HH22 ARG A 133 -3.589 15.012 -3.518 1.00 10.00 H new ATOM 870 N VAL A 134 -1.084 7.655 -3.074 1.00 10.00 N ATOM 871 CA VAL A 134 -1.385 6.661 -4.097 1.00 10.00 C ATOM 872 C VAL A 134 -2.858 6.297 -4.130 1.00 10.00 C ATOM 873 O VAL A 134 -3.463 6.105 -3.079 1.00 10.00 O ATOM 874 CB VAL A 134 -0.577 5.387 -3.844 1.00 10.00 C ATOM 875 CG1 VAL A 134 -0.570 4.528 -5.110 1.00 10.00 C ATOM 876 CG2 VAL A 134 0.864 5.707 -3.485 1.00 10.00 C ATOM 0 H VAL A 134 -1.535 7.468 -2.179 1.00 10.00 H new ATOM 0 HA VAL A 134 -1.117 7.104 -5.056 1.00 10.00 H new ATOM 0 HB VAL A 134 -1.044 4.858 -3.013 1.00 10.00 H new ATOM 0 HG11 VAL A 134 0.006 3.620 -4.930 1.00 10.00 H new ATOM 0 HG12 VAL A 134 -1.593 4.262 -5.375 1.00 10.00 H new ATOM 0 HG13 VAL A 134 -0.117 5.089 -5.928 1.00 10.00 H new ATOM 0 HG21 VAL A 134 1.410 4.780 -3.312 1.00 10.00 H new ATOM 0 HG22 VAL A 134 1.330 6.255 -4.304 1.00 10.00 H new ATOM 0 HG23 VAL A 134 0.887 6.316 -2.581 1.00 10.00 H new ATOM 886 N ASN A 135 -3.418 6.165 -5.336 1.00 10.00 N ATOM 887 CA ASN A 135 -4.804 5.768 -5.514 1.00 10.00 C ATOM 888 C ASN A 135 -4.995 4.314 -5.073 1.00 10.00 C ATOM 889 O ASN A 135 -4.219 3.447 -5.479 1.00 10.00 O ATOM 890 CB ASN A 135 -5.241 5.977 -6.963 1.00 10.00 C ATOM 891 CG ASN A 135 -6.763 5.990 -7.065 1.00 10.00 C ATOM 892 OD1 ASN A 135 -7.403 4.943 -6.982 1.00 10.00 O ATOM 893 ND2 ASN A 135 -7.340 7.178 -7.231 1.00 10.00 N ATOM 0 H ASN A 135 -2.919 6.331 -6.210 1.00 10.00 H new ATOM 0 HA ASN A 135 -5.437 6.396 -4.887 1.00 10.00 H new ATOM 0 HB2 ASN A 135 -4.837 6.917 -7.339 1.00 10.00 H new ATOM 0 HB3 ASN A 135 -4.835 5.183 -7.590 1.00 10.00 H new ATOM 0 HD21 ASN A 135 -8.356 7.247 -7.295 1.00 10.00 H new ATOM 0 HD22 ASN A 135 -6.766 8.019 -7.294 1.00 10.00 H new ATOM 900 N TYR A 136 -6.000 4.049 -4.233 1.00 10.00 N ATOM 901 CA TYR A 136 -6.208 2.767 -3.580 1.00 10.00 C ATOM 902 C TYR A 136 -6.211 1.602 -4.569 1.00 10.00 C ATOM 903 O TYR A 136 -5.415 0.674 -4.422 1.00 10.00 O ATOM 904 CB TYR A 136 -7.391 2.836 -2.611 1.00 10.00 C ATOM 905 CG TYR A 136 -8.056 1.501 -2.382 1.00 10.00 C ATOM 906 CD1 TYR A 136 -9.048 1.070 -3.272 1.00 10.00 C ATOM 907 CD2 TYR A 136 -7.575 0.625 -1.399 1.00 10.00 C ATOM 908 CE1 TYR A 136 -9.596 -0.211 -3.146 1.00 10.00 C ATOM 909 CE2 TYR A 136 -8.168 -0.632 -1.229 1.00 10.00 C ATOM 910 CZ TYR A 136 -9.191 -1.051 -2.096 1.00 10.00 C ATOM 911 OH TYR A 136 -9.730 -2.296 -1.963 1.00 10.00 O ATOM 0 H TYR A 136 -6.706 4.743 -3.986 1.00 10.00 H new ATOM 0 HA TYR A 136 -5.348 2.543 -2.949 1.00 10.00 H new ATOM 0 HB2 TYR A 136 -7.046 3.230 -1.655 1.00 10.00 H new ATOM 0 HB3 TYR A 136 -8.128 3.539 -2.999 1.00 10.00 H new ATOM 0 HD1 TYR A 136 -9.390 1.728 -4.057 1.00 10.00 H new ATOM 0 HD2 TYR A 136 -6.746 0.920 -0.772 1.00 10.00 H new ATOM 0 HE1 TYR A 136 -10.332 -0.555 -3.858 1.00 10.00 H new ATOM 0 HE2 TYR A 136 -7.839 -1.280 -0.430 1.00 10.00 H new ATOM 0 HH TYR A 136 -9.336 -2.742 -1.184 1.00 10.00 H new ATOM 921 N GLU A 137 -7.087 1.648 -5.575 1.00 10.00 N ATOM 922 CA GLU A 137 -7.202 0.540 -6.507 1.00 10.00 C ATOM 923 C GLU A 137 -5.985 0.540 -7.428 1.00 10.00 C ATOM 924 O GLU A 137 -5.339 -0.487 -7.622 1.00 10.00 O ATOM 925 CB GLU A 137 -8.519 0.630 -7.290 1.00 10.00 C ATOM 926 CG GLU A 137 -8.788 -0.663 -8.078 1.00 10.00 C ATOM 927 CD GLU A 137 -9.017 -1.850 -7.147 1.00 10.00 C ATOM 928 OE1 GLU A 137 -9.991 -1.772 -6.372 1.00 10.00 O ATOM 929 OE2 GLU A 137 -8.200 -2.797 -7.208 1.00 10.00 O ATOM 0 H GLU A 137 -7.715 2.430 -5.758 1.00 10.00 H new ATOM 0 HA GLU A 137 -7.223 -0.405 -5.964 1.00 10.00 H new ATOM 0 HB2 GLU A 137 -9.343 0.817 -6.601 1.00 10.00 H new ATOM 0 HB3 GLU A 137 -8.480 1.476 -7.977 1.00 10.00 H new ATOM 0 HG2 GLU A 137 -9.661 -0.526 -8.716 1.00 10.00 H new ATOM 0 HG3 GLU A 137 -7.943 -0.872 -8.734 1.00 10.00 H new ATOM 936 N GLU A 138 -5.672 1.705 -8.002 1.00 10.00 N ATOM 937 CA GLU A 138 -4.638 1.806 -9.019 1.00 10.00 C ATOM 938 C GLU A 138 -3.297 1.279 -8.499 1.00 10.00 C ATOM 939 O GLU A 138 -2.609 0.573 -9.231 1.00 10.00 O ATOM 940 CB GLU A 138 -4.549 3.234 -9.580 1.00 10.00 C ATOM 941 CG GLU A 138 -4.198 3.231 -11.075 1.00 10.00 C ATOM 942 CD GLU A 138 -5.342 2.687 -11.921 1.00 10.00 C ATOM 943 OE1 GLU A 138 -6.327 3.432 -12.094 1.00 10.00 O ATOM 944 OE2 GLU A 138 -5.243 1.513 -12.341 1.00 10.00 O ATOM 0 H GLU A 138 -6.125 2.590 -7.774 1.00 10.00 H new ATOM 0 HA GLU A 138 -4.914 1.165 -9.856 1.00 10.00 H new ATOM 0 HB2 GLU A 138 -5.500 3.745 -9.430 1.00 10.00 H new ATOM 0 HB3 GLU A 138 -3.795 3.796 -9.029 1.00 10.00 H new ATOM 0 HG2 GLU A 138 -3.959 4.245 -11.395 1.00 10.00 H new ATOM 0 HG3 GLU A 138 -3.305 2.627 -11.238 1.00 10.00 H new ATOM 951 N PHE A 139 -2.961 1.541 -7.224 1.00 10.00 N ATOM 952 CA PHE A 139 -1.788 0.933 -6.595 1.00 10.00 C ATOM 953 C PHE A 139 -1.675 -0.536 -6.958 1.00 10.00 C ATOM 954 O PHE A 139 -0.603 -1.025 -7.296 1.00 10.00 O ATOM 955 CB PHE A 139 -1.814 1.048 -5.062 1.00 10.00 C ATOM 956 CG PHE A 139 -0.486 0.670 -4.401 1.00 10.00 C ATOM 957 CD1 PHE A 139 0.003 -0.652 -4.462 1.00 10.00 C ATOM 958 CD2 PHE A 139 0.178 1.584 -3.559 1.00 10.00 C ATOM 959 CE1 PHE A 139 1.295 -0.950 -4.010 1.00 10.00 C ATOM 960 CE2 PHE A 139 1.438 1.265 -3.027 1.00 10.00 C ATOM 961 CZ PHE A 139 2.027 0.029 -3.327 1.00 10.00 C ATOM 0 H PHE A 139 -3.487 2.168 -6.615 1.00 10.00 H new ATOM 0 HA PHE A 139 -0.928 1.485 -6.974 1.00 10.00 H new ATOM 0 HB2 PHE A 139 -2.070 2.071 -4.786 1.00 10.00 H new ATOM 0 HB3 PHE A 139 -2.602 0.405 -4.670 1.00 10.00 H new ATOM 0 HD1 PHE A 139 -0.622 -1.438 -4.859 1.00 10.00 H new ATOM 0 HD2 PHE A 139 -0.283 2.532 -3.322 1.00 10.00 H new ATOM 0 HE1 PHE A 139 1.723 -1.926 -4.187 1.00 10.00 H new ATOM 0 HE2 PHE A 139 1.951 1.969 -2.389 1.00 10.00 H new ATOM 0 HZ PHE A 139 3.047 -0.169 -3.031 1.00 10.00 H new ATOM 971 N ALA A 140 -2.782 -1.262 -6.839 1.00 10.00 N ATOM 972 CA ALA A 140 -2.735 -2.700 -6.921 1.00 10.00 C ATOM 973 C ALA A 140 -2.387 -3.183 -8.330 1.00 10.00 C ATOM 974 O ALA A 140 -1.950 -4.320 -8.493 1.00 10.00 O ATOM 975 CB ALA A 140 -4.059 -3.265 -6.431 1.00 10.00 C ATOM 0 H ALA A 140 -3.712 -0.872 -6.687 1.00 10.00 H new ATOM 0 HA ALA A 140 -1.935 -3.068 -6.279 1.00 10.00 H new ATOM 0 HB1 ALA A 140 -4.034 -4.353 -6.489 1.00 10.00 H new ATOM 0 HB2 ALA A 140 -4.224 -2.960 -5.398 1.00 10.00 H new ATOM 0 HB3 ALA A 140 -4.869 -2.887 -7.055 1.00 10.00 H new ATOM 981 N ARG A 141 -2.543 -2.318 -9.339 1.00 10.00 N ATOM 982 CA ARG A 141 -1.897 -2.518 -10.629 1.00 10.00 C ATOM 983 C ARG A 141 -0.380 -2.610 -10.384 1.00 10.00 C ATOM 984 O ARG A 141 0.229 -3.668 -10.558 1.00 10.00 O ATOM 985 CB ARG A 141 -2.270 -1.367 -11.595 1.00 10.00 C ATOM 986 CG ARG A 141 -2.694 -1.834 -12.997 1.00 10.00 C ATOM 987 CD ARG A 141 -4.206 -1.676 -13.204 1.00 10.00 C ATOM 988 NE ARG A 141 -4.978 -2.401 -12.177 1.00 10.00 N ATOM 989 CZ ARG A 141 -6.026 -1.942 -11.463 1.00 10.00 C ATOM 990 NH1 ARG A 141 -6.451 -0.680 -11.562 1.00 10.00 N ATOM 991 NH2 ARG A 141 -6.666 -2.781 -10.636 1.00 10.00 N ATOM 0 H ARG A 141 -3.113 -1.474 -9.281 1.00 10.00 H new ATOM 0 HA ARG A 141 -2.235 -3.440 -11.102 1.00 10.00 H new ATOM 0 HB2 ARG A 141 -3.082 -0.788 -11.156 1.00 10.00 H new ATOM 0 HB3 ARG A 141 -1.416 -0.696 -11.690 1.00 10.00 H new ATOM 0 HG2 ARG A 141 -2.159 -1.257 -13.752 1.00 10.00 H new ATOM 0 HG3 ARG A 141 -2.413 -2.878 -13.135 1.00 10.00 H new ATOM 0 HD2 ARG A 141 -4.468 -0.618 -13.177 1.00 10.00 H new ATOM 0 HD3 ARG A 141 -4.478 -2.046 -14.192 1.00 10.00 H new ATOM 0 HE ARG A 141 -4.686 -3.359 -11.985 1.00 10.00 H new ATOM 0 HH11 ARG A 141 -5.980 -0.031 -12.192 1.00 10.00 H new ATOM 0 HH12 ARG A 141 -7.247 -0.365 -11.008 1.00 10.00 H new ATOM 0 HH21 ARG A 141 -6.358 -3.750 -10.554 1.00 10.00 H new ATOM 0 HH22 ARG A 141 -7.461 -2.450 -10.089 1.00 10.00 H new ATOM 1005 N MET A 142 0.211 -1.518 -9.887 1.00 10.00 N ATOM 1006 CA MET A 142 1.655 -1.388 -9.763 1.00 10.00 C ATOM 1007 C MET A 142 2.278 -2.333 -8.735 1.00 10.00 C ATOM 1008 O MET A 142 3.444 -2.686 -8.894 1.00 10.00 O ATOM 1009 CB MET A 142 2.085 0.057 -9.496 1.00 10.00 C ATOM 1010 CG MET A 142 1.466 1.077 -10.462 1.00 10.00 C ATOM 1011 SD MET A 142 0.265 2.204 -9.715 1.00 10.00 S ATOM 1012 CE MET A 142 -0.184 3.178 -11.167 1.00 10.00 C ATOM 0 H MET A 142 -0.305 -0.701 -9.561 1.00 10.00 H new ATOM 0 HA MET A 142 2.043 -1.690 -10.736 1.00 10.00 H new ATOM 0 HB2 MET A 142 1.811 0.325 -8.475 1.00 10.00 H new ATOM 0 HB3 MET A 142 3.171 0.121 -9.562 1.00 10.00 H new ATOM 0 HG2 MET A 142 2.268 1.667 -10.907 1.00 10.00 H new ATOM 0 HG3 MET A 142 0.979 0.537 -11.274 1.00 10.00 H new ATOM 0 HE1 MET A 142 -0.923 3.929 -10.887 1.00 10.00 H new ATOM 0 HE2 MET A 142 0.704 3.672 -11.562 1.00 10.00 H new ATOM 0 HE3 MET A 142 -0.604 2.522 -11.929 1.00 10.00 H new ATOM 1022 N LEU A 143 1.534 -2.760 -7.701 1.00 10.00 N ATOM 1023 CA LEU A 143 1.966 -3.828 -6.797 1.00 10.00 C ATOM 1024 C LEU A 143 2.569 -4.961 -7.639 1.00 10.00 C ATOM 1025 O LEU A 143 3.656 -5.454 -7.348 1.00 10.00 O ATOM 1026 CB LEU A 143 0.837 -4.242 -5.840 1.00 10.00 C ATOM 1027 CG LEU A 143 0.194 -5.576 -6.204 1.00 10.00 C ATOM 1028 CD1 LEU A 143 1.154 -6.735 -5.897 1.00 10.00 C ATOM 1029 CD2 LEU A 143 -1.009 -5.694 -5.310 1.00 10.00 C ATOM 0 H LEU A 143 0.619 -2.373 -7.472 1.00 10.00 H new ATOM 0 HA LEU A 143 2.753 -3.484 -6.126 1.00 10.00 H new ATOM 0 HB2 LEU A 143 1.234 -4.303 -4.827 1.00 10.00 H new ATOM 0 HB3 LEU A 143 0.071 -3.467 -5.837 1.00 10.00 H new ATOM 0 HG LEU A 143 -0.059 -5.619 -7.263 1.00 10.00 H new ATOM 0 HD11 LEU A 143 0.680 -7.680 -6.162 1.00 10.00 H new ATOM 0 HD12 LEU A 143 2.069 -6.613 -6.476 1.00 10.00 H new ATOM 0 HD13 LEU A 143 1.395 -6.736 -4.834 1.00 10.00 H new ATOM 0 HD21 LEU A 143 -1.524 -6.632 -5.515 1.00 10.00 H new ATOM 0 HD22 LEU A 143 -0.691 -5.675 -4.268 1.00 10.00 H new ATOM 0 HD23 LEU A 143 -1.685 -4.860 -5.498 1.00 10.00 H new ATOM 1041 N ALA A 144 1.842 -5.350 -8.693 1.00 10.00 N ATOM 1042 CA ALA A 144 2.359 -6.217 -9.741 1.00 10.00 C ATOM 1043 C ALA A 144 3.389 -5.488 -10.620 1.00 10.00 C ATOM 1044 O ALA A 144 4.586 -5.660 -10.407 1.00 10.00 O ATOM 1045 CB ALA A 144 1.210 -6.832 -10.547 1.00 10.00 C ATOM 0 H ALA A 144 0.873 -5.066 -8.837 1.00 10.00 H new ATOM 0 HA ALA A 144 2.897 -7.043 -9.275 1.00 10.00 H new ATOM 0 HB1 ALA A 144 1.616 -7.477 -11.326 1.00 10.00 H new ATOM 0 HB2 ALA A 144 0.574 -7.419 -9.884 1.00 10.00 H new ATOM 0 HB3 ALA A 144 0.621 -6.038 -11.005 1.00 10.00 H new