USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=4 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 84 GLN : amide:sc= 1.17 K(o=2.4,f=1) USER MOD Set 1.2: A 136 TYR OH : rot -147:sc= 1.23 USER MOD Single : A 97 HIS : no HD1:sc= -0.104 K(o=-0.1,f=-0.7) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl 163:sc= 0 (180deg=-0.447) USER MOD Single : A 112 GLN : amide:sc= -0.0325 X(o=-0.033,f=-0.13) USER MOD Single : A 116 GLN : amide:sc= -0.515 K(o=-0.52,f=-3.4!) USER MOD Single : A 122 MET CE :methyl 176:sc= 0 (180deg=-0.0315) USER MOD Single : A 130 GLN : amide:sc=-0.00124 K(o=-0.0012,f=-1.8) USER MOD Single : A 135 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 78 -1.758 -14.221 -1.994 1.00 10.00 N ATOM 38 CA ALA A 78 -1.050 -12.990 -1.758 1.00 10.00 C ATOM 39 C ALA A 78 0.138 -12.886 -2.696 1.00 10.00 C ATOM 40 O ALA A 78 1.304 -13.068 -2.345 1.00 10.00 O ATOM 41 CB ALA A 78 -0.565 -12.963 -0.346 1.00 10.00 C ATOM 0 HA ALA A 78 -1.723 -12.151 -1.936 1.00 10.00 H new ATOM 0 HB1 ALA A 78 -0.028 -12.032 -0.163 1.00 10.00 H new ATOM 0 HB2 ALA A 78 -1.416 -13.030 0.332 1.00 10.00 H new ATOM 0 HB3 ALA A 78 0.103 -13.807 -0.175 1.00 10.00 H new ATOM 47 N GLY A 79 -0.225 -12.618 -3.927 1.00 10.00 N ATOM 48 CA GLY A 79 0.333 -11.500 -4.632 1.00 10.00 C ATOM 49 C GLY A 79 -0.783 -10.478 -4.527 1.00 10.00 C ATOM 50 O GLY A 79 -0.839 -9.732 -3.560 1.00 10.00 O ATOM 0 H GLY A 79 -0.905 -13.162 -4.458 1.00 10.00 H new ATOM 0 HA2 GLY A 79 1.256 -11.146 -4.172 1.00 10.00 H new ATOM 0 HA3 GLY A 79 0.567 -11.745 -5.668 1.00 10.00 H new ATOM 54 N LEU A 80 -1.706 -10.533 -5.484 1.00 10.00 N ATOM 55 CA LEU A 80 -2.721 -9.529 -5.745 1.00 10.00 C ATOM 56 C LEU A 80 -3.877 -9.451 -4.746 1.00 10.00 C ATOM 57 O LEU A 80 -4.169 -8.386 -4.199 1.00 10.00 O ATOM 58 CB LEU A 80 -3.101 -9.669 -7.227 1.00 10.00 C ATOM 59 CG LEU A 80 -4.496 -9.226 -7.677 1.00 10.00 C ATOM 60 CD1 LEU A 80 -4.445 -8.959 -9.185 1.00 10.00 C ATOM 61 CD2 LEU A 80 -5.525 -10.336 -7.440 1.00 10.00 C ATOM 0 H LEU A 80 -1.765 -11.321 -6.128 1.00 10.00 H new ATOM 0 HA LEU A 80 -2.309 -8.536 -5.566 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -2.372 -9.105 -7.809 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -2.984 -10.718 -7.500 1.00 10.00 H new ATOM 0 HG LEU A 80 -4.784 -8.340 -7.112 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -5.428 -8.641 -9.532 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -3.717 -8.175 -9.391 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -4.154 -9.871 -9.706 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -6.508 -9.997 -7.768 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -5.240 -11.223 -8.006 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -5.560 -10.579 -6.378 1.00 10.00 H new ATOM 73 N GLU A 81 -4.559 -10.566 -4.518 1.00 10.00 N ATOM 74 CA GLU A 81 -5.780 -10.566 -3.715 1.00 10.00 C ATOM 75 C GLU A 81 -5.491 -10.027 -2.317 1.00 10.00 C ATOM 76 O GLU A 81 -6.174 -9.138 -1.806 1.00 10.00 O ATOM 77 CB GLU A 81 -6.319 -12.000 -3.601 1.00 10.00 C ATOM 78 CG GLU A 81 -6.687 -12.641 -4.948 1.00 10.00 C ATOM 79 CD GLU A 81 -6.855 -14.145 -4.812 1.00 10.00 C ATOM 80 OE1 GLU A 81 -5.942 -14.751 -4.214 1.00 10.00 O ATOM 81 OE2 GLU A 81 -7.844 -14.686 -5.346 1.00 10.00 O ATOM 0 H GLU A 81 -4.290 -11.482 -4.876 1.00 10.00 H new ATOM 0 HA GLU A 81 -6.520 -9.929 -4.199 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -5.570 -12.620 -3.108 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -7.201 -11.995 -2.960 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -7.611 -12.201 -5.323 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -5.911 -12.424 -5.682 1.00 10.00 H new ATOM 88 N ASP A 82 -4.452 -10.587 -1.701 1.00 10.00 N ATOM 89 CA ASP A 82 -4.192 -10.331 -0.294 1.00 10.00 C ATOM 90 C ASP A 82 -3.517 -8.988 -0.100 1.00 10.00 C ATOM 91 O ASP A 82 -3.647 -8.359 0.937 1.00 10.00 O ATOM 92 CB ASP A 82 -3.345 -11.433 0.318 1.00 10.00 C ATOM 93 CG ASP A 82 -3.267 -11.328 1.835 1.00 10.00 C ATOM 94 OD1 ASP A 82 -4.342 -11.188 2.455 1.00 10.00 O ATOM 95 OD2 ASP A 82 -2.127 -11.417 2.339 1.00 10.00 O ATOM 0 H ASP A 82 -3.785 -11.214 -2.152 1.00 10.00 H new ATOM 0 HA ASP A 82 -5.155 -10.313 0.217 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -3.761 -12.402 0.044 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -2.339 -11.389 -0.099 1.00 10.00 H new ATOM 100 N LEU A 83 -2.833 -8.519 -1.135 1.00 10.00 N ATOM 101 CA LEU A 83 -2.443 -7.142 -1.279 1.00 10.00 C ATOM 102 C LEU A 83 -3.669 -6.245 -1.104 1.00 10.00 C ATOM 103 O LEU A 83 -3.659 -5.318 -0.301 1.00 10.00 O ATOM 104 CB LEU A 83 -1.746 -7.044 -2.603 1.00 10.00 C ATOM 105 CG LEU A 83 -2.038 -5.787 -3.362 1.00 10.00 C ATOM 106 CD1 LEU A 83 -1.357 -4.645 -2.636 1.00 10.00 C ATOM 107 CD2 LEU A 83 -1.441 -6.121 -4.696 1.00 10.00 C ATOM 0 H LEU A 83 -2.532 -9.108 -1.911 1.00 10.00 H new ATOM 0 HA LEU A 83 -1.748 -6.793 -0.515 1.00 10.00 H new ATOM 0 HB2 LEU A 83 -0.671 -7.115 -2.440 1.00 10.00 H new ATOM 0 HB3 LEU A 83 -2.033 -7.899 -3.215 1.00 10.00 H new ATOM 0 HG LEU A 83 -3.079 -5.479 -3.458 1.00 10.00 H new ATOM 0 HD11 LEU A 83 -1.550 -3.711 -3.164 1.00 10.00 H new ATOM 0 HD12 LEU A 83 -1.747 -4.575 -1.621 1.00 10.00 H new ATOM 0 HD13 LEU A 83 -0.283 -4.826 -2.600 1.00 10.00 H new ATOM 0 HD21 LEU A 83 -1.578 -5.281 -5.377 1.00 10.00 H new ATOM 0 HD22 LEU A 83 -0.376 -6.323 -4.578 1.00 10.00 H new ATOM 0 HD23 LEU A 83 -1.934 -7.003 -5.105 1.00 10.00 H new ATOM 119 N GLN A 84 -4.742 -6.507 -1.849 1.00 10.00 N ATOM 120 CA GLN A 84 -5.898 -5.630 -1.793 1.00 10.00 C ATOM 121 C GLN A 84 -6.493 -5.657 -0.384 1.00 10.00 C ATOM 122 O GLN A 84 -6.707 -4.603 0.211 1.00 10.00 O ATOM 123 CB GLN A 84 -6.903 -6.039 -2.880 1.00 10.00 C ATOM 124 CG GLN A 84 -7.904 -4.910 -3.175 1.00 10.00 C ATOM 125 CD GLN A 84 -8.088 -4.707 -4.678 1.00 10.00 C ATOM 126 OE1 GLN A 84 -8.639 -5.567 -5.357 1.00 10.00 O ATOM 127 NE2 GLN A 84 -7.601 -3.585 -5.196 1.00 10.00 N ATOM 0 H GLN A 84 -4.830 -7.301 -2.483 1.00 10.00 H new ATOM 0 HA GLN A 84 -5.611 -4.598 -1.996 1.00 10.00 H new ATOM 0 HB2 GLN A 84 -6.367 -6.300 -3.793 1.00 10.00 H new ATOM 0 HB3 GLN A 84 -7.442 -6.931 -2.561 1.00 10.00 H new ATOM 0 HG2 GLN A 84 -8.865 -5.145 -2.718 1.00 10.00 H new ATOM 0 HG3 GLN A 84 -7.553 -3.983 -2.721 1.00 10.00 H new ATOM 0 HE21 GLN A 84 -7.151 -2.898 -4.592 1.00 10.00 H new ATOM 0 HE22 GLN A 84 -7.678 -3.411 -6.198 1.00 10.00 H new ATOM 136 N VAL A 85 -6.706 -6.848 0.181 1.00 10.00 N ATOM 137 CA VAL A 85 -7.192 -7.029 1.526 1.00 10.00 C ATOM 138 C VAL A 85 -6.284 -6.302 2.529 1.00 10.00 C ATOM 139 O VAL A 85 -6.778 -5.557 3.373 1.00 10.00 O ATOM 140 CB VAL A 85 -7.265 -8.545 1.737 1.00 10.00 C ATOM 141 CG1 VAL A 85 -7.497 -8.880 3.193 1.00 10.00 C ATOM 142 CG2 VAL A 85 -8.379 -9.174 0.886 1.00 10.00 C ATOM 0 H VAL A 85 -6.537 -7.727 -0.307 1.00 10.00 H new ATOM 0 HA VAL A 85 -8.178 -6.592 1.685 1.00 10.00 H new ATOM 0 HB VAL A 85 -6.306 -8.959 1.424 1.00 10.00 H new ATOM 0 HG11 VAL A 85 -7.545 -9.962 3.314 1.00 10.00 H new ATOM 0 HG12 VAL A 85 -6.678 -8.483 3.793 1.00 10.00 H new ATOM 0 HG13 VAL A 85 -8.436 -8.436 3.523 1.00 10.00 H new ATOM 0 HG21 VAL A 85 -8.405 -10.250 1.058 1.00 10.00 H new ATOM 0 HG22 VAL A 85 -9.339 -8.739 1.164 1.00 10.00 H new ATOM 0 HG23 VAL A 85 -8.185 -8.980 -0.169 1.00 10.00 H new ATOM 152 N ALA A 86 -4.965 -6.500 2.418 1.00 10.00 N ATOM 153 CA ALA A 86 -3.934 -5.827 3.196 1.00 10.00 C ATOM 154 C ALA A 86 -4.221 -4.337 3.210 1.00 10.00 C ATOM 155 O ALA A 86 -4.430 -3.715 4.249 1.00 10.00 O ATOM 156 CB ALA A 86 -2.526 -6.117 2.611 1.00 10.00 C ATOM 0 H ALA A 86 -4.576 -7.166 1.751 1.00 10.00 H new ATOM 0 HA ALA A 86 -3.946 -6.204 4.218 1.00 10.00 H new ATOM 0 HB1 ALA A 86 -1.771 -5.604 3.208 1.00 10.00 H new ATOM 0 HB2 ALA A 86 -2.337 -7.190 2.632 1.00 10.00 H new ATOM 0 HB3 ALA A 86 -2.479 -5.760 1.582 1.00 10.00 H new ATOM 162 N PHE A 87 -4.247 -3.775 2.013 1.00 10.00 N ATOM 163 CA PHE A 87 -4.359 -2.353 1.772 1.00 10.00 C ATOM 164 C PHE A 87 -5.657 -1.835 2.381 1.00 10.00 C ATOM 165 O PHE A 87 -5.673 -0.798 3.040 1.00 10.00 O ATOM 166 CB PHE A 87 -4.236 -2.154 0.260 1.00 10.00 C ATOM 167 CG PHE A 87 -2.795 -2.163 -0.221 1.00 10.00 C ATOM 168 CD1 PHE A 87 -1.829 -3.033 0.339 1.00 10.00 C ATOM 169 CD2 PHE A 87 -2.401 -1.261 -1.220 1.00 10.00 C ATOM 170 CE1 PHE A 87 -0.532 -3.092 -0.184 1.00 10.00 C ATOM 171 CE2 PHE A 87 -1.064 -1.230 -1.638 1.00 10.00 C ATOM 172 CZ PHE A 87 -0.146 -2.186 -1.172 1.00 10.00 C ATOM 0 H PHE A 87 -4.188 -4.320 1.153 1.00 10.00 H new ATOM 0 HA PHE A 87 -3.572 -1.771 2.251 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -4.790 -2.941 -0.251 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -4.700 -1.207 -0.016 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -2.096 -3.658 1.179 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -3.124 -0.594 -1.665 1.00 10.00 H new ATOM 0 HE1 PHE A 87 0.165 -3.834 0.175 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -0.736 -0.464 -2.325 1.00 10.00 H new ATOM 0 HZ PHE A 87 0.855 -2.219 -1.577 1.00 10.00 H new ATOM 182 N ARG A 88 -6.718 -2.629 2.244 1.00 10.00 N ATOM 183 CA ARG A 88 -8.030 -2.360 2.804 1.00 10.00 C ATOM 184 C ARG A 88 -8.069 -2.445 4.343 1.00 10.00 C ATOM 185 O ARG A 88 -9.137 -2.320 4.931 1.00 10.00 O ATOM 186 CB ARG A 88 -9.029 -3.305 2.116 1.00 10.00 C ATOM 187 CG ARG A 88 -10.418 -2.703 1.897 1.00 10.00 C ATOM 188 CD ARG A 88 -11.462 -3.206 2.892 1.00 10.00 C ATOM 189 NE ARG A 88 -12.770 -2.722 2.453 1.00 10.00 N ATOM 190 CZ ARG A 88 -13.967 -3.142 2.868 1.00 10.00 C ATOM 191 NH1 ARG A 88 -14.050 -4.055 3.841 1.00 10.00 N ATOM 192 NH2 ARG A 88 -15.061 -2.635 2.292 1.00 10.00 N ATOM 0 H ARG A 88 -6.681 -3.504 1.722 1.00 10.00 H new ATOM 0 HA ARG A 88 -8.307 -1.325 2.604 1.00 10.00 H new ATOM 0 HB2 ARG A 88 -8.621 -3.606 1.151 1.00 10.00 H new ATOM 0 HB3 ARG A 88 -9.128 -4.209 2.717 1.00 10.00 H new ATOM 0 HG2 ARG A 88 -10.351 -1.618 1.970 1.00 10.00 H new ATOM 0 HG3 ARG A 88 -10.750 -2.934 0.885 1.00 10.00 H new ATOM 0 HD2 ARG A 88 -11.453 -4.295 2.936 1.00 10.00 H new ATOM 0 HD3 ARG A 88 -11.238 -2.844 3.896 1.00 10.00 H new ATOM 0 HE ARG A 88 -12.767 -1.981 1.752 1.00 10.00 H new ATOM 0 HH11 ARG A 88 -13.200 -4.428 4.264 1.00 10.00 H new ATOM 0 HH12 ARG A 88 -14.963 -4.378 4.161 1.00 10.00 H new ATOM 0 HH21 ARG A 88 -14.972 -1.941 1.550 1.00 10.00 H new ATOM 0 HH22 ARG A 88 -15.985 -2.942 2.594 1.00 10.00 H new ATOM 206 N ALA A 89 -6.933 -2.631 5.027 1.00 10.00 N ATOM 207 CA ALA A 89 -6.874 -2.470 6.475 1.00 10.00 C ATOM 208 C ALA A 89 -7.123 -1.006 6.857 1.00 10.00 C ATOM 209 O ALA A 89 -8.012 -0.717 7.655 1.00 10.00 O ATOM 210 CB ALA A 89 -5.527 -2.968 7.004 1.00 10.00 C ATOM 0 H ALA A 89 -6.046 -2.893 4.596 1.00 10.00 H new ATOM 0 HA ALA A 89 -7.658 -3.071 6.936 1.00 10.00 H new ATOM 0 HB1 ALA A 89 -5.493 -2.844 8.086 1.00 10.00 H new ATOM 0 HB2 ALA A 89 -5.406 -4.022 6.756 1.00 10.00 H new ATOM 0 HB3 ALA A 89 -4.722 -2.393 6.547 1.00 10.00 H new ATOM 216 N PHE A 90 -6.346 -0.078 6.287 1.00 10.00 N ATOM 217 CA PHE A 90 -6.446 1.355 6.561 1.00 10.00 C ATOM 218 C PHE A 90 -7.145 2.070 5.416 1.00 10.00 C ATOM 219 O PHE A 90 -6.683 3.114 4.962 1.00 10.00 O ATOM 220 CB PHE A 90 -5.054 1.934 6.760 1.00 10.00 C ATOM 221 CG PHE A 90 -4.358 1.389 7.981 1.00 10.00 C ATOM 222 CD1 PHE A 90 -3.676 0.167 7.896 1.00 10.00 C ATOM 223 CD2 PHE A 90 -4.587 1.980 9.236 1.00 10.00 C ATOM 224 CE1 PHE A 90 -3.356 -0.533 9.065 1.00 10.00 C ATOM 225 CE2 PHE A 90 -4.219 1.300 10.408 1.00 10.00 C ATOM 226 CZ PHE A 90 -3.652 0.017 10.325 1.00 10.00 C ATOM 0 H PHE A 90 -5.618 -0.309 5.611 1.00 10.00 H new ATOM 0 HA PHE A 90 -7.033 1.499 7.468 1.00 10.00 H new ATOM 0 HB2 PHE A 90 -4.449 1.722 5.879 1.00 10.00 H new ATOM 0 HB3 PHE A 90 -5.126 3.018 6.843 1.00 10.00 H new ATOM 0 HD1 PHE A 90 -3.399 -0.233 6.932 1.00 10.00 H new ATOM 0 HD2 PHE A 90 -5.045 2.956 9.298 1.00 10.00 H new ATOM 0 HE1 PHE A 90 -2.880 -1.500 8.999 1.00 10.00 H new ATOM 0 HE2 PHE A 90 -4.372 1.762 11.372 1.00 10.00 H new ATOM 0 HZ PHE A 90 -3.445 -0.544 11.224 1.00 10.00 H new ATOM 236 N ASP A 91 -8.244 1.502 4.932 1.00 10.00 N ATOM 237 CA ASP A 91 -8.936 2.023 3.774 1.00 10.00 C ATOM 238 C ASP A 91 -10.279 1.312 3.678 1.00 10.00 C ATOM 239 O ASP A 91 -10.441 0.218 4.215 1.00 10.00 O ATOM 240 CB ASP A 91 -8.062 1.785 2.538 1.00 10.00 C ATOM 241 CG ASP A 91 -8.699 2.224 1.242 1.00 10.00 C ATOM 242 OD1 ASP A 91 -9.695 2.983 1.265 1.00 10.00 O ATOM 243 OD2 ASP A 91 -8.213 1.739 0.204 1.00 10.00 O ATOM 0 H ASP A 91 -8.674 0.670 5.335 1.00 10.00 H new ATOM 0 HA ASP A 91 -9.118 3.095 3.849 1.00 10.00 H new ATOM 0 HB2 ASP A 91 -7.118 2.316 2.665 1.00 10.00 H new ATOM 0 HB3 ASP A 91 -7.824 0.723 2.473 1.00 10.00 H new ATOM 296 N GLY A 96 -10.096 7.070 -3.446 1.00 10.00 N ATOM 297 CA GLY A 96 -8.896 7.806 -3.814 1.00 10.00 C ATOM 298 C GLY A 96 -7.564 7.122 -3.476 1.00 10.00 C ATOM 299 O GLY A 96 -6.969 6.447 -4.318 1.00 10.00 O ATOM 0 HA2 GLY A 96 -8.924 7.996 -4.887 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -8.921 8.776 -3.318 1.00 10.00 H new ATOM 303 N HIS A 97 -7.025 7.404 -2.284 1.00 10.00 N ATOM 304 CA HIS A 97 -5.586 7.390 -2.027 1.00 10.00 C ATOM 305 C HIS A 97 -5.292 6.926 -0.600 1.00 10.00 C ATOM 306 O HIS A 97 -5.987 7.318 0.335 1.00 10.00 O ATOM 307 CB HIS A 97 -5.029 8.803 -2.296 1.00 10.00 C ATOM 308 CG HIS A 97 -3.916 9.267 -1.382 1.00 10.00 C ATOM 309 ND1 HIS A 97 -4.076 9.700 -0.084 1.00 10.00 N ATOM 310 CD2 HIS A 97 -2.599 9.445 -1.712 1.00 10.00 C ATOM 311 CE1 HIS A 97 -2.880 10.137 0.348 1.00 10.00 C ATOM 312 NE2 HIS A 97 -1.953 10.019 -0.615 1.00 10.00 N ATOM 0 H HIS A 97 -7.583 7.650 -1.466 1.00 10.00 H new ATOM 0 HA HIS A 97 -5.094 6.680 -2.692 1.00 10.00 H new ATOM 0 HB2 HIS A 97 -4.666 8.838 -3.323 1.00 10.00 H new ATOM 0 HB3 HIS A 97 -5.851 9.515 -2.224 1.00 10.00 H new ATOM 0 HD2 HIS A 97 -2.140 9.187 -2.655 1.00 10.00 H new ATOM 0 HE1 HIS A 97 -2.691 10.530 1.336 1.00 10.00 H new ATOM 0 HE2 HIS A 97 -0.972 10.294 -0.557 1.00 10.00 H new ATOM 320 N ILE A 98 -4.215 6.151 -0.446 1.00 10.00 N ATOM 321 CA ILE A 98 -3.694 5.669 0.827 1.00 10.00 C ATOM 322 C ILE A 98 -2.596 6.599 1.326 1.00 10.00 C ATOM 323 O ILE A 98 -1.799 7.083 0.527 1.00 10.00 O ATOM 324 CB ILE A 98 -3.110 4.241 0.701 1.00 10.00 C ATOM 325 CG1 ILE A 98 -2.469 3.879 -0.654 1.00 10.00 C ATOM 326 CG2 ILE A 98 -4.170 3.202 1.016 1.00 10.00 C ATOM 327 CD1 ILE A 98 -2.259 2.367 -0.838 1.00 10.00 C ATOM 0 H ILE A 98 -3.662 5.831 -1.241 1.00 10.00 H new ATOM 0 HA ILE A 98 -4.526 5.648 1.531 1.00 10.00 H new ATOM 0 HB ILE A 98 -2.297 4.237 1.427 1.00 10.00 H new ATOM 0 HG12 ILE A 98 -3.101 4.252 -1.459 1.00 10.00 H new ATOM 0 HG13 ILE A 98 -1.508 4.386 -0.742 1.00 10.00 H new ATOM 0 HG21 ILE A 98 -3.741 2.204 0.922 1.00 10.00 H new ATOM 0 HG22 ILE A 98 -4.531 3.347 2.034 1.00 10.00 H new ATOM 0 HG23 ILE A 98 -5.001 3.307 0.318 1.00 10.00 H new ATOM 0 HD11 ILE A 98 -1.805 2.178 -1.811 1.00 10.00 H new ATOM 0 HD12 ILE A 98 -1.603 1.993 -0.052 1.00 10.00 H new ATOM 0 HD13 ILE A 98 -3.220 1.857 -0.781 1.00 10.00 H new ATOM 339 N THR A 99 -2.489 6.768 2.649 1.00 10.00 N ATOM 340 CA THR A 99 -1.233 7.227 3.222 1.00 10.00 C ATOM 341 C THR A 99 -0.284 6.040 3.294 1.00 10.00 C ATOM 342 O THR A 99 -0.570 5.006 3.900 1.00 10.00 O ATOM 343 CB THR A 99 -1.351 8.125 4.451 1.00 10.00 C ATOM 344 OG1 THR A 99 -0.067 8.376 4.990 1.00 10.00 O ATOM 345 CG2 THR A 99 -2.204 7.443 5.471 1.00 10.00 C ATOM 0 H THR A 99 -3.237 6.598 3.321 1.00 10.00 H new ATOM 0 HA THR A 99 -0.775 7.961 2.559 1.00 10.00 H new ATOM 0 HB THR A 99 -1.804 9.075 4.168 1.00 10.00 H new ATOM 0 HG1 THR A 99 -0.150 8.954 5.777 1.00 10.00 H new ATOM 0 HG21 THR A 99 -2.294 8.077 6.353 1.00 10.00 H new ATOM 0 HG22 THR A 99 -3.194 7.259 5.053 1.00 10.00 H new ATOM 0 HG23 THR A 99 -1.747 6.494 5.752 1.00 10.00 H new ATOM 353 N VAL A 100 0.850 6.192 2.615 1.00 10.00 N ATOM 354 CA VAL A 100 1.903 5.202 2.526 1.00 10.00 C ATOM 355 C VAL A 100 2.288 4.682 3.922 1.00 10.00 C ATOM 356 O VAL A 100 2.733 3.547 4.094 1.00 10.00 O ATOM 357 CB VAL A 100 3.050 5.811 1.724 1.00 10.00 C ATOM 358 CG1 VAL A 100 4.071 6.470 2.634 1.00 10.00 C ATOM 359 CG2 VAL A 100 3.699 4.767 0.814 1.00 10.00 C ATOM 0 H VAL A 100 1.062 7.043 2.094 1.00 10.00 H new ATOM 0 HA VAL A 100 1.574 4.309 1.994 1.00 10.00 H new ATOM 0 HB VAL A 100 2.634 6.591 1.086 1.00 10.00 H new ATOM 0 HG11 VAL A 100 4.875 6.894 2.032 1.00 10.00 H new ATOM 0 HG12 VAL A 100 3.590 7.263 3.207 1.00 10.00 H new ATOM 0 HG13 VAL A 100 4.482 5.727 3.317 1.00 10.00 H new ATOM 0 HG21 VAL A 100 4.513 5.228 0.254 1.00 10.00 H new ATOM 0 HG22 VAL A 100 4.092 3.950 1.420 1.00 10.00 H new ATOM 0 HG23 VAL A 100 2.955 4.378 0.119 1.00 10.00 H new ATOM 369 N ASP A 101 2.129 5.538 4.937 1.00 10.00 N ATOM 370 CA ASP A 101 2.418 5.141 6.312 1.00 10.00 C ATOM 371 C ASP A 101 1.382 4.170 6.894 1.00 10.00 C ATOM 372 O ASP A 101 1.747 3.173 7.521 1.00 10.00 O ATOM 373 CB ASP A 101 2.661 6.346 7.213 1.00 10.00 C ATOM 374 CG ASP A 101 3.230 5.811 8.509 1.00 10.00 C ATOM 375 OD1 ASP A 101 2.437 5.431 9.388 1.00 10.00 O ATOM 376 OD2 ASP A 101 4.456 5.567 8.568 1.00 10.00 O ATOM 0 H ASP A 101 1.805 6.499 4.831 1.00 10.00 H new ATOM 0 HA ASP A 101 3.351 4.579 6.274 1.00 10.00 H new ATOM 0 HB2 ASP A 101 3.354 7.045 6.745 1.00 10.00 H new ATOM 0 HB3 ASP A 101 1.733 6.889 7.392 1.00 10.00 H new ATOM 381 N GLU A 102 0.095 4.430 6.659 1.00 10.00 N ATOM 382 CA GLU A 102 -0.968 3.477 6.952 1.00 10.00 C ATOM 383 C GLU A 102 -0.705 2.174 6.206 1.00 10.00 C ATOM 384 O GLU A 102 -0.841 1.088 6.764 1.00 10.00 O ATOM 385 CB GLU A 102 -2.323 4.078 6.583 1.00 10.00 C ATOM 386 CG GLU A 102 -2.833 4.980 7.718 1.00 10.00 C ATOM 387 CD GLU A 102 -4.265 5.438 7.484 1.00 10.00 C ATOM 388 OE1 GLU A 102 -4.572 5.765 6.320 1.00 10.00 O ATOM 389 OE2 GLU A 102 -5.030 5.421 8.471 1.00 10.00 O ATOM 0 H GLU A 102 -0.236 5.308 6.260 1.00 10.00 H new ATOM 0 HA GLU A 102 -0.985 3.257 8.019 1.00 10.00 H new ATOM 0 HB2 GLU A 102 -2.234 4.655 5.663 1.00 10.00 H new ATOM 0 HB3 GLU A 102 -3.042 3.281 6.391 1.00 10.00 H new ATOM 0 HG2 GLU A 102 -2.775 4.440 8.663 1.00 10.00 H new ATOM 0 HG3 GLU A 102 -2.184 5.851 7.808 1.00 10.00 H new ATOM 396 N LEU A 103 -0.253 2.283 4.960 1.00 10.00 N ATOM 397 CA LEU A 103 0.223 1.134 4.204 1.00 10.00 C ATOM 398 C LEU A 103 1.240 0.319 5.012 1.00 10.00 C ATOM 399 O LEU A 103 1.129 -0.898 5.122 1.00 10.00 O ATOM 400 CB LEU A 103 0.824 1.618 2.882 1.00 10.00 C ATOM 401 CG LEU A 103 0.209 0.902 1.692 1.00 10.00 C ATOM 402 CD1 LEU A 103 0.741 1.524 0.395 1.00 10.00 C ATOM 403 CD2 LEU A 103 0.497 -0.587 1.681 1.00 10.00 C ATOM 0 H LEU A 103 -0.207 3.165 4.451 1.00 10.00 H new ATOM 0 HA LEU A 103 -0.617 0.472 3.993 1.00 10.00 H new ATOM 0 HB2 LEU A 103 0.667 2.692 2.782 1.00 10.00 H new ATOM 0 HB3 LEU A 103 1.901 1.453 2.890 1.00 10.00 H new ATOM 0 HG LEU A 103 -0.871 1.022 1.772 1.00 10.00 H new ATOM 0 HD11 LEU A 103 0.301 1.012 -0.461 1.00 10.00 H new ATOM 0 HD12 LEU A 103 0.475 2.580 0.362 1.00 10.00 H new ATOM 0 HD13 LEU A 103 1.826 1.422 0.361 1.00 10.00 H new ATOM 0 HD21 LEU A 103 0.031 -1.041 0.807 1.00 10.00 H new ATOM 0 HD22 LEU A 103 1.574 -0.749 1.643 1.00 10.00 H new ATOM 0 HD23 LEU A 103 0.093 -1.042 2.585 1.00 10.00 H new ATOM 415 N ARG A 104 2.225 0.984 5.614 1.00 10.00 N ATOM 416 CA ARG A 104 3.190 0.304 6.472 1.00 10.00 C ATOM 417 C ARG A 104 2.488 -0.443 7.616 1.00 10.00 C ATOM 418 O ARG A 104 2.850 -1.578 7.927 1.00 10.00 O ATOM 419 CB ARG A 104 4.243 1.309 6.961 1.00 10.00 C ATOM 420 CG ARG A 104 5.610 0.650 7.229 1.00 10.00 C ATOM 421 CD ARG A 104 6.749 1.675 7.378 1.00 10.00 C ATOM 422 NE ARG A 104 6.700 2.730 6.339 1.00 10.00 N ATOM 423 CZ ARG A 104 6.422 4.017 6.600 1.00 10.00 C ATOM 424 NH1 ARG A 104 6.694 4.530 7.799 1.00 10.00 N ATOM 425 NH2 ARG A 104 5.829 4.781 5.680 1.00 10.00 N ATOM 0 H ARG A 104 2.374 1.989 5.523 1.00 10.00 H new ATOM 0 HA ARG A 104 3.712 -0.462 5.898 1.00 10.00 H new ATOM 0 HB2 ARG A 104 4.363 2.096 6.216 1.00 10.00 H new ATOM 0 HB3 ARG A 104 3.888 1.786 7.875 1.00 10.00 H new ATOM 0 HG2 ARG A 104 5.547 0.050 8.137 1.00 10.00 H new ATOM 0 HG3 ARG A 104 5.846 -0.032 6.412 1.00 10.00 H new ATOM 0 HD2 ARG A 104 6.692 2.137 8.364 1.00 10.00 H new ATOM 0 HD3 ARG A 104 7.708 1.159 7.323 1.00 10.00 H new ATOM 0 HE ARG A 104 6.888 2.464 5.372 1.00 10.00 H new ATOM 0 HH11 ARG A 104 7.114 3.945 8.521 1.00 10.00 H new ATOM 0 HH12 ARG A 104 6.482 5.508 7.995 1.00 10.00 H new ATOM 0 HH21 ARG A 104 5.584 4.388 4.771 1.00 10.00 H new ATOM 0 HH22 ARG A 104 5.621 5.758 5.886 1.00 10.00 H new ATOM 439 N ARG A 105 1.467 0.165 8.231 1.00 10.00 N ATOM 440 CA ARG A 105 0.664 -0.521 9.240 1.00 10.00 C ATOM 441 C ARG A 105 -0.151 -1.694 8.664 1.00 10.00 C ATOM 442 O ARG A 105 -0.331 -2.691 9.360 1.00 10.00 O ATOM 443 CB ARG A 105 -0.252 0.443 10.006 1.00 10.00 C ATOM 444 CG ARG A 105 0.408 1.195 11.173 1.00 10.00 C ATOM 445 CD ARG A 105 0.731 2.674 10.904 1.00 10.00 C ATOM 446 NE ARG A 105 2.026 2.914 10.245 1.00 10.00 N ATOM 447 CZ ARG A 105 3.217 2.891 10.863 1.00 10.00 C ATOM 448 NH1 ARG A 105 3.337 2.280 12.046 1.00 10.00 N ATOM 449 NH2 ARG A 105 4.287 3.487 10.325 1.00 10.00 N ATOM 0 H ARG A 105 1.181 1.127 8.046 1.00 10.00 H new ATOM 0 HA ARG A 105 1.382 -0.940 9.945 1.00 10.00 H new ATOM 0 HB2 ARG A 105 -0.649 1.175 9.303 1.00 10.00 H new ATOM 0 HB3 ARG A 105 -1.101 -0.120 10.393 1.00 10.00 H new ATOM 0 HG2 ARG A 105 -0.250 1.136 12.040 1.00 10.00 H new ATOM 0 HG3 ARG A 105 1.332 0.681 11.438 1.00 10.00 H new ATOM 0 HD2 ARG A 105 -0.060 3.097 10.284 1.00 10.00 H new ATOM 0 HD3 ARG A 105 0.716 3.213 11.852 1.00 10.00 H new ATOM 0 HE ARG A 105 2.017 3.112 9.245 1.00 10.00 H new ATOM 0 HH11 ARG A 105 2.526 1.834 12.474 1.00 10.00 H new ATOM 0 HH12 ARG A 105 4.240 2.259 12.520 1.00 10.00 H new ATOM 0 HH21 ARG A 105 4.206 3.970 9.430 1.00 10.00 H new ATOM 0 HH22 ARG A 105 5.184 3.459 10.810 1.00 10.00 H new ATOM 463 N ALA A 106 -0.669 -1.609 7.433 1.00 10.00 N ATOM 464 CA ALA A 106 -1.471 -2.674 6.812 1.00 10.00 C ATOM 465 C ALA A 106 -0.848 -4.053 7.028 1.00 10.00 C ATOM 466 O ALA A 106 -1.503 -5.016 7.431 1.00 10.00 O ATOM 467 CB ALA A 106 -1.638 -2.404 5.316 1.00 10.00 C ATOM 0 H ALA A 106 -0.543 -0.793 6.834 1.00 10.00 H new ATOM 0 HA ALA A 106 -2.449 -2.672 7.293 1.00 10.00 H new ATOM 0 HB1 ALA A 106 -2.233 -3.199 4.867 1.00 10.00 H new ATOM 0 HB2 ALA A 106 -2.142 -1.448 5.173 1.00 10.00 H new ATOM 0 HB3 ALA A 106 -0.658 -2.372 4.840 1.00 10.00 H new ATOM 473 N MET A 107 0.455 -4.125 6.785 1.00 10.00 N ATOM 474 CA MET A 107 1.220 -5.349 6.895 1.00 10.00 C ATOM 475 C MET A 107 1.315 -5.840 8.346 1.00 10.00 C ATOM 476 O MET A 107 1.391 -7.045 8.592 1.00 10.00 O ATOM 477 CB MET A 107 2.573 -5.104 6.227 1.00 10.00 C ATOM 478 CG MET A 107 2.507 -5.287 4.708 1.00 10.00 C ATOM 479 SD MET A 107 1.034 -4.736 3.814 1.00 10.00 S ATOM 480 CE MET A 107 1.460 -5.394 2.193 1.00 10.00 C ATOM 0 H MET A 107 1.013 -3.319 6.502 1.00 10.00 H new ATOM 0 HA MET A 107 0.720 -6.168 6.378 1.00 10.00 H new ATOM 0 HB2 MET A 107 2.912 -4.094 6.456 1.00 10.00 H new ATOM 0 HB3 MET A 107 3.311 -5.790 6.643 1.00 10.00 H new ATOM 0 HG2 MET A 107 3.364 -4.769 4.278 1.00 10.00 H new ATOM 0 HG3 MET A 107 2.639 -6.349 4.500 1.00 10.00 H new ATOM 0 HE1 MET A 107 0.567 -5.431 1.569 1.00 10.00 H new ATOM 0 HE2 MET A 107 2.204 -4.751 1.723 1.00 10.00 H new ATOM 0 HE3 MET A 107 1.867 -6.399 2.304 1.00 10.00 H new ATOM 490 N ALA A 108 1.258 -4.929 9.322 1.00 10.00 N ATOM 491 CA ALA A 108 1.103 -5.307 10.720 1.00 10.00 C ATOM 492 C ALA A 108 -0.235 -6.020 10.908 1.00 10.00 C ATOM 493 O ALA A 108 -0.301 -7.043 11.582 1.00 10.00 O ATOM 494 CB ALA A 108 1.191 -4.077 11.627 1.00 10.00 C ATOM 0 H ALA A 108 1.318 -3.923 9.164 1.00 10.00 H new ATOM 0 HA ALA A 108 1.911 -5.984 10.997 1.00 10.00 H new ATOM 0 HB1 ALA A 108 1.073 -4.382 12.667 1.00 10.00 H new ATOM 0 HB2 ALA A 108 2.162 -3.598 11.498 1.00 10.00 H new ATOM 0 HB3 ALA A 108 0.401 -3.373 11.363 1.00 10.00 H new ATOM 500 N GLY A 109 -1.289 -5.486 10.283 1.00 10.00 N ATOM 501 CA GLY A 109 -2.603 -6.114 10.244 1.00 10.00 C ATOM 502 C GLY A 109 -2.512 -7.556 9.740 1.00 10.00 C ATOM 503 O GLY A 109 -3.046 -8.464 10.372 1.00 10.00 O ATOM 0 H GLY A 109 -1.248 -4.596 9.786 1.00 10.00 H new ATOM 0 HA2 GLY A 109 -3.045 -6.101 11.240 1.00 10.00 H new ATOM 0 HA3 GLY A 109 -3.264 -5.540 9.595 1.00 10.00 H new ATOM 507 N LEU A 110 -1.825 -7.768 8.612 1.00 10.00 N ATOM 508 CA LEU A 110 -1.544 -9.115 8.108 1.00 10.00 C ATOM 509 C LEU A 110 -0.803 -9.950 9.155 1.00 10.00 C ATOM 510 O LEU A 110 -1.187 -11.086 9.425 1.00 10.00 O ATOM 511 CB LEU A 110 -0.737 -9.054 6.801 1.00 10.00 C ATOM 512 CG LEU A 110 -1.603 -9.150 5.538 1.00 10.00 C ATOM 513 CD1 LEU A 110 -2.728 -8.114 5.512 1.00 10.00 C ATOM 514 CD2 LEU A 110 -0.718 -8.958 4.300 1.00 10.00 C ATOM 0 H LEU A 110 -1.452 -7.019 8.029 1.00 10.00 H new ATOM 0 HA LEU A 110 -2.499 -9.598 7.900 1.00 10.00 H new ATOM 0 HB2 LEU A 110 -0.174 -8.121 6.775 1.00 10.00 H new ATOM 0 HB3 LEU A 110 -0.010 -9.866 6.795 1.00 10.00 H new ATOM 0 HG LEU A 110 -2.066 -10.137 5.539 1.00 10.00 H new ATOM 0 HD11 LEU A 110 -3.308 -8.229 4.596 1.00 10.00 H new ATOM 0 HD12 LEU A 110 -3.379 -8.262 6.374 1.00 10.00 H new ATOM 0 HD13 LEU A 110 -2.301 -7.112 5.547 1.00 10.00 H new ATOM 0 HD21 LEU A 110 -1.330 -9.026 3.401 1.00 10.00 H new ATOM 0 HD22 LEU A 110 -0.242 -7.979 4.342 1.00 10.00 H new ATOM 0 HD23 LEU A 110 0.048 -9.733 4.276 1.00 10.00 H new ATOM 526 N GLY A 111 0.276 -9.405 9.721 1.00 10.00 N ATOM 527 CA GLY A 111 1.018 -10.036 10.795 1.00 10.00 C ATOM 528 C GLY A 111 2.506 -9.719 10.707 1.00 10.00 C ATOM 529 O GLY A 111 3.147 -9.463 11.723 1.00 10.00 O ATOM 0 H GLY A 111 0.657 -8.502 9.437 1.00 10.00 H new ATOM 0 HA2 GLY A 111 0.629 -9.697 11.755 1.00 10.00 H new ATOM 0 HA3 GLY A 111 0.872 -11.115 10.754 1.00 10.00 H new ATOM 533 N GLN A 112 3.057 -9.738 9.490 1.00 10.00 N ATOM 534 CA GLN A 112 4.445 -9.388 9.221 1.00 10.00 C ATOM 535 C GLN A 112 4.518 -7.944 8.705 1.00 10.00 C ATOM 536 O GLN A 112 4.390 -7.747 7.498 1.00 10.00 O ATOM 537 CB GLN A 112 5.084 -10.403 8.253 1.00 10.00 C ATOM 538 CG GLN A 112 4.306 -10.689 6.954 1.00 10.00 C ATOM 539 CD GLN A 112 5.117 -10.373 5.700 1.00 10.00 C ATOM 540 OE1 GLN A 112 5.779 -11.242 5.142 1.00 10.00 O ATOM 541 NE2 GLN A 112 5.059 -9.129 5.242 1.00 10.00 N ATOM 0 H GLN A 112 2.538 -10.002 8.653 1.00 10.00 H new ATOM 0 HA GLN A 112 5.025 -9.437 10.142 1.00 10.00 H new ATOM 0 HB2 GLN A 112 6.077 -10.042 7.985 1.00 10.00 H new ATOM 0 HB3 GLN A 112 5.220 -11.345 8.785 1.00 10.00 H new ATOM 0 HG2 GLN A 112 4.010 -11.738 6.936 1.00 10.00 H new ATOM 0 HG3 GLN A 112 3.389 -10.099 6.947 1.00 10.00 H new ATOM 0 HE21 GLN A 112 4.498 -8.431 5.731 1.00 10.00 H new ATOM 0 HE22 GLN A 112 5.575 -8.871 4.401 1.00 10.00 H new ATOM 550 N PRO A 113 4.712 -6.925 9.564 1.00 10.00 N ATOM 551 CA PRO A 113 4.857 -5.551 9.109 1.00 10.00 C ATOM 552 C PRO A 113 6.087 -5.432 8.211 1.00 10.00 C ATOM 553 O PRO A 113 7.190 -5.768 8.636 1.00 10.00 O ATOM 554 CB PRO A 113 4.974 -4.693 10.370 1.00 10.00 C ATOM 555 CG PRO A 113 5.509 -5.662 11.420 1.00 10.00 C ATOM 556 CD PRO A 113 4.891 -6.998 11.008 1.00 10.00 C ATOM 0 HA PRO A 113 4.007 -5.219 8.512 1.00 10.00 H new ATOM 0 HB2 PRO A 113 5.651 -3.852 10.220 1.00 10.00 H new ATOM 0 HB3 PRO A 113 4.009 -4.278 10.663 1.00 10.00 H new ATOM 0 HG2 PRO A 113 6.598 -5.703 11.413 1.00 10.00 H new ATOM 0 HG3 PRO A 113 5.208 -5.372 12.427 1.00 10.00 H new ATOM 0 HD2 PRO A 113 5.541 -7.830 11.280 1.00 10.00 H new ATOM 0 HD3 PRO A 113 3.938 -7.160 11.512 1.00 10.00 H new ATOM 564 N LEU A 114 5.902 -4.961 6.975 1.00 10.00 N ATOM 565 CA LEU A 114 7.008 -4.725 6.057 1.00 10.00 C ATOM 566 C LEU A 114 7.974 -3.736 6.722 1.00 10.00 C ATOM 567 O LEU A 114 7.554 -2.623 7.049 1.00 10.00 O ATOM 568 CB LEU A 114 6.484 -4.176 4.714 1.00 10.00 C ATOM 569 CG LEU A 114 6.647 -5.166 3.548 1.00 10.00 C ATOM 570 CD1 LEU A 114 5.771 -6.410 3.686 1.00 10.00 C ATOM 571 CD2 LEU A 114 6.324 -4.466 2.223 1.00 10.00 C ATOM 0 H LEU A 114 4.985 -4.735 6.589 1.00 10.00 H new ATOM 0 HA LEU A 114 7.530 -5.658 5.842 1.00 10.00 H new ATOM 0 HB2 LEU A 114 5.430 -3.921 4.820 1.00 10.00 H new ATOM 0 HB3 LEU A 114 7.013 -3.253 4.475 1.00 10.00 H new ATOM 0 HG LEU A 114 7.685 -5.499 3.567 1.00 10.00 H new ATOM 0 HD11 LEU A 114 5.934 -7.066 2.831 1.00 10.00 H new ATOM 0 HD12 LEU A 114 6.031 -6.938 4.604 1.00 10.00 H new ATOM 0 HD13 LEU A 114 4.722 -6.114 3.722 1.00 10.00 H new ATOM 0 HD21 LEU A 114 6.441 -5.172 1.401 1.00 10.00 H new ATOM 0 HD22 LEU A 114 5.297 -4.102 2.245 1.00 10.00 H new ATOM 0 HD23 LEU A 114 7.004 -3.626 2.080 1.00 10.00 H new ATOM 583 N PRO A 115 9.241 -4.115 6.966 1.00 10.00 N ATOM 584 CA PRO A 115 10.195 -3.229 7.606 1.00 10.00 C ATOM 585 C PRO A 115 10.503 -2.054 6.680 1.00 10.00 C ATOM 586 O PRO A 115 10.186 -2.094 5.488 1.00 10.00 O ATOM 587 CB PRO A 115 11.427 -4.084 7.905 1.00 10.00 C ATOM 588 CG PRO A 115 11.364 -5.179 6.840 1.00 10.00 C ATOM 589 CD PRO A 115 9.863 -5.386 6.632 1.00 10.00 C ATOM 0 HA PRO A 115 9.815 -2.794 8.531 1.00 10.00 H new ATOM 0 HB2 PRO A 115 12.347 -3.504 7.831 1.00 10.00 H new ATOM 0 HB3 PRO A 115 11.393 -4.500 8.912 1.00 10.00 H new ATOM 0 HG2 PRO A 115 11.859 -4.872 5.918 1.00 10.00 H new ATOM 0 HG3 PRO A 115 11.853 -6.094 7.175 1.00 10.00 H new ATOM 0 HD2 PRO A 115 9.646 -5.670 5.602 1.00 10.00 H new ATOM 0 HD3 PRO A 115 9.486 -6.186 7.269 1.00 10.00 H new ATOM 597 N GLN A 116 11.096 -0.995 7.243 1.00 10.00 N ATOM 598 CA GLN A 116 11.163 0.287 6.562 1.00 10.00 C ATOM 599 C GLN A 116 11.713 0.141 5.146 1.00 10.00 C ATOM 600 O GLN A 116 10.989 0.466 4.227 1.00 10.00 O ATOM 601 CB GLN A 116 11.892 1.346 7.400 1.00 10.00 C ATOM 602 CG GLN A 116 11.995 2.709 6.690 1.00 10.00 C ATOM 603 CD GLN A 116 10.653 3.418 6.451 1.00 10.00 C ATOM 604 OE1 GLN A 116 9.715 2.872 5.876 1.00 10.00 O ATOM 605 NE2 GLN A 116 10.514 4.649 6.940 1.00 10.00 N ATOM 0 H GLN A 116 11.532 -1.008 8.165 1.00 10.00 H new ATOM 0 HA GLN A 116 10.144 0.658 6.450 1.00 10.00 H new ATOM 0 HB2 GLN A 116 11.369 1.475 8.348 1.00 10.00 H new ATOM 0 HB3 GLN A 116 12.894 0.988 7.635 1.00 10.00 H new ATOM 0 HG2 GLN A 116 12.634 3.363 7.283 1.00 10.00 H new ATOM 0 HG3 GLN A 116 12.489 2.565 5.729 1.00 10.00 H new ATOM 0 HE21 GLN A 116 11.295 5.099 7.417 1.00 10.00 H new ATOM 0 HE22 GLN A 116 9.627 5.141 6.838 1.00 10.00 H new ATOM 614 N GLU A 117 12.921 -0.396 4.953 1.00 10.00 N ATOM 615 CA GLU A 117 13.505 -0.670 3.631 1.00 10.00 C ATOM 616 C GLU A 117 12.478 -1.216 2.633 1.00 10.00 C ATOM 617 O GLU A 117 12.368 -0.718 1.512 1.00 10.00 O ATOM 618 CB GLU A 117 14.668 -1.656 3.824 1.00 10.00 C ATOM 619 CG GLU A 117 15.547 -1.798 2.576 1.00 10.00 C ATOM 620 CD GLU A 117 16.471 -3.002 2.705 1.00 10.00 C ATOM 621 OE1 GLU A 117 15.928 -4.128 2.704 1.00 10.00 O ATOM 622 OE2 GLU A 117 17.693 -2.777 2.826 1.00 10.00 O ATOM 0 H GLU A 117 13.535 -0.659 5.724 1.00 10.00 H new ATOM 0 HA GLU A 117 13.863 0.265 3.201 1.00 10.00 H new ATOM 0 HB2 GLU A 117 15.284 -1.323 4.659 1.00 10.00 H new ATOM 0 HB3 GLU A 117 14.267 -2.634 4.093 1.00 10.00 H new ATOM 0 HG2 GLU A 117 14.918 -1.908 1.692 1.00 10.00 H new ATOM 0 HG3 GLU A 117 16.138 -0.893 2.436 1.00 10.00 H new ATOM 629 N GLU A 118 11.717 -2.225 3.052 1.00 10.00 N ATOM 630 CA GLU A 118 10.747 -2.895 2.205 1.00 10.00 C ATOM 631 C GLU A 118 9.677 -1.873 1.815 1.00 10.00 C ATOM 632 O GLU A 118 9.375 -1.658 0.641 1.00 10.00 O ATOM 633 CB GLU A 118 10.160 -4.085 2.986 1.00 10.00 C ATOM 634 CG GLU A 118 10.378 -5.447 2.310 1.00 10.00 C ATOM 635 CD GLU A 118 9.410 -5.693 1.159 1.00 10.00 C ATOM 636 OE1 GLU A 118 9.448 -4.894 0.202 1.00 10.00 O ATOM 637 OE2 GLU A 118 8.640 -6.671 1.267 1.00 10.00 O ATOM 0 H GLU A 118 11.761 -2.600 3.999 1.00 10.00 H new ATOM 0 HA GLU A 118 11.197 -3.284 1.292 1.00 10.00 H new ATOM 0 HB2 GLU A 118 10.606 -4.109 3.980 1.00 10.00 H new ATOM 0 HB3 GLU A 118 9.090 -3.925 3.121 1.00 10.00 H new ATOM 0 HG2 GLU A 118 11.401 -5.504 1.938 1.00 10.00 H new ATOM 0 HG3 GLU A 118 10.264 -6.238 3.051 1.00 10.00 H new ATOM 644 N LEU A 119 9.117 -1.196 2.818 1.00 10.00 N ATOM 645 CA LEU A 119 8.079 -0.222 2.541 1.00 10.00 C ATOM 646 C LEU A 119 8.638 0.972 1.749 1.00 10.00 C ATOM 647 O LEU A 119 8.055 1.299 0.737 1.00 10.00 O ATOM 648 CB LEU A 119 7.286 0.134 3.804 1.00 10.00 C ATOM 649 CG LEU A 119 5.763 0.296 3.560 1.00 10.00 C ATOM 650 CD1 LEU A 119 5.391 1.329 2.505 1.00 10.00 C ATOM 651 CD2 LEU A 119 5.049 -1.027 3.256 1.00 10.00 C ATOM 0 H LEU A 119 9.361 -1.304 3.802 1.00 10.00 H new ATOM 0 HA LEU A 119 7.336 -0.668 1.880 1.00 10.00 H new ATOM 0 HB2 LEU A 119 7.444 -0.642 4.552 1.00 10.00 H new ATOM 0 HB3 LEU A 119 7.679 1.062 4.219 1.00 10.00 H new ATOM 0 HG LEU A 119 5.407 0.673 4.519 1.00 10.00 H new ATOM 0 HD11 LEU A 119 4.307 1.372 2.404 1.00 10.00 H new ATOM 0 HD12 LEU A 119 5.766 2.307 2.805 1.00 10.00 H new ATOM 0 HD13 LEU A 119 5.834 1.049 1.549 1.00 10.00 H new ATOM 0 HD21 LEU A 119 3.987 -0.839 3.096 1.00 10.00 H new ATOM 0 HD22 LEU A 119 5.478 -1.474 2.359 1.00 10.00 H new ATOM 0 HD23 LEU A 119 5.174 -1.709 4.097 1.00 10.00 H new ATOM 663 N ASP A 120 9.755 1.598 2.131 1.00 10.00 N ATOM 664 CA ASP A 120 10.515 2.613 1.396 1.00 10.00 C ATOM 665 C ASP A 120 10.619 2.268 -0.085 1.00 10.00 C ATOM 666 O ASP A 120 10.292 3.066 -0.967 1.00 10.00 O ATOM 667 CB ASP A 120 11.917 2.819 2.001 1.00 10.00 C ATOM 668 CG ASP A 120 12.037 4.159 2.719 1.00 10.00 C ATOM 669 OD1 ASP A 120 11.831 5.185 2.037 1.00 10.00 O ATOM 670 OD2 ASP A 120 12.334 4.140 3.932 1.00 10.00 O ATOM 0 H ASP A 120 10.185 1.392 3.033 1.00 10.00 H new ATOM 0 HA ASP A 120 9.966 3.550 1.489 1.00 10.00 H new ATOM 0 HB2 ASP A 120 12.132 2.012 2.701 1.00 10.00 H new ATOM 0 HB3 ASP A 120 12.665 2.763 1.210 1.00 10.00 H new ATOM 675 N ALA A 121 11.056 1.041 -0.355 1.00 10.00 N ATOM 676 CA ALA A 121 11.146 0.523 -1.703 1.00 10.00 C ATOM 677 C ALA A 121 9.798 0.657 -2.440 1.00 10.00 C ATOM 678 O ALA A 121 9.772 1.067 -3.600 1.00 10.00 O ATOM 679 CB ALA A 121 11.701 -0.901 -1.624 1.00 10.00 C ATOM 0 H ALA A 121 11.357 0.381 0.362 1.00 10.00 H new ATOM 0 HA ALA A 121 11.836 1.107 -2.311 1.00 10.00 H new ATOM 0 HB1 ALA A 121 11.780 -1.317 -2.628 1.00 10.00 H new ATOM 0 HB2 ALA A 121 12.688 -0.882 -1.161 1.00 10.00 H new ATOM 0 HB3 ALA A 121 11.032 -1.520 -1.026 1.00 10.00 H new ATOM 685 N MET A 122 8.673 0.389 -1.761 1.00 10.00 N ATOM 686 CA MET A 122 7.329 0.620 -2.262 1.00 10.00 C ATOM 687 C MET A 122 6.912 2.094 -2.163 1.00 10.00 C ATOM 688 O MET A 122 6.115 2.538 -2.981 1.00 10.00 O ATOM 689 CB MET A 122 6.364 -0.305 -1.505 1.00 10.00 C ATOM 690 CG MET A 122 6.583 -1.748 -1.975 1.00 10.00 C ATOM 691 SD MET A 122 5.819 -3.032 -0.959 1.00 10.00 S ATOM 692 CE MET A 122 6.644 -4.472 -1.676 1.00 10.00 C ATOM 0 H MET A 122 8.684 -0.006 -0.821 1.00 10.00 H new ATOM 0 HA MET A 122 7.299 0.385 -3.326 1.00 10.00 H new ATOM 0 HB2 MET A 122 6.534 -0.229 -0.431 1.00 10.00 H new ATOM 0 HB3 MET A 122 5.333 -0.003 -1.686 1.00 10.00 H new ATOM 0 HG2 MET A 122 6.201 -1.841 -2.992 1.00 10.00 H new ATOM 0 HG3 MET A 122 7.656 -1.937 -2.019 1.00 10.00 H new ATOM 0 HE1 MET A 122 6.354 -5.368 -1.128 1.00 10.00 H new ATOM 0 HE2 MET A 122 6.352 -4.576 -2.721 1.00 10.00 H new ATOM 0 HE3 MET A 122 7.724 -4.342 -1.612 1.00 10.00 H new ATOM 702 N ILE A 123 7.436 2.878 -1.215 1.00 10.00 N ATOM 703 CA ILE A 123 7.124 4.292 -1.052 1.00 10.00 C ATOM 704 C ILE A 123 7.462 4.977 -2.366 1.00 10.00 C ATOM 705 O ILE A 123 6.612 5.626 -2.961 1.00 10.00 O ATOM 706 CB ILE A 123 7.857 4.940 0.145 1.00 10.00 C ATOM 707 CG1 ILE A 123 7.142 4.585 1.453 1.00 10.00 C ATOM 708 CG2 ILE A 123 7.913 6.473 0.012 1.00 10.00 C ATOM 709 CD1 ILE A 123 7.977 4.784 2.726 1.00 10.00 C ATOM 0 H ILE A 123 8.104 2.534 -0.526 1.00 10.00 H new ATOM 0 HA ILE A 123 6.066 4.409 -0.817 1.00 10.00 H new ATOM 0 HB ILE A 123 8.875 4.552 0.153 1.00 10.00 H new ATOM 0 HG12 ILE A 123 6.239 5.190 1.531 1.00 10.00 H new ATOM 0 HG13 ILE A 123 6.825 3.543 1.404 1.00 10.00 H new ATOM 0 HG21 ILE A 123 8.435 6.894 0.871 1.00 10.00 H new ATOM 0 HG22 ILE A 123 8.444 6.740 -0.902 1.00 10.00 H new ATOM 0 HG23 ILE A 123 6.899 6.872 -0.028 1.00 10.00 H new ATOM 0 HD11 ILE A 123 7.384 4.506 3.597 1.00 10.00 H new ATOM 0 HD12 ILE A 123 8.868 4.158 2.678 1.00 10.00 H new ATOM 0 HD13 ILE A 123 8.273 5.830 2.807 1.00 10.00 H new ATOM 721 N ARG A 124 8.690 4.764 -2.841 1.00 10.00 N ATOM 722 CA ARG A 124 9.155 5.340 -4.094 1.00 10.00 C ATOM 723 C ARG A 124 8.288 4.910 -5.292 1.00 10.00 C ATOM 724 O ARG A 124 8.243 5.612 -6.302 1.00 10.00 O ATOM 725 CB ARG A 124 10.645 5.002 -4.257 1.00 10.00 C ATOM 726 CG ARG A 124 11.259 5.623 -5.517 1.00 10.00 C ATOM 727 CD ARG A 124 11.147 4.688 -6.733 1.00 10.00 C ATOM 728 NE ARG A 124 10.672 5.414 -7.919 1.00 10.00 N ATOM 729 CZ ARG A 124 10.659 4.919 -9.165 1.00 10.00 C ATOM 730 NH1 ARG A 124 11.056 3.660 -9.382 1.00 10.00 N ATOM 731 NH2 ARG A 124 10.258 5.685 -10.187 1.00 10.00 N ATOM 0 H ARG A 124 9.385 4.188 -2.366 1.00 10.00 H new ATOM 0 HA ARG A 124 9.049 6.425 -4.066 1.00 10.00 H new ATOM 0 HB2 ARG A 124 11.191 5.353 -3.381 1.00 10.00 H new ATOM 0 HB3 ARG A 124 10.766 3.919 -4.295 1.00 10.00 H new ATOM 0 HG2 ARG A 124 10.759 6.566 -5.737 1.00 10.00 H new ATOM 0 HG3 ARG A 124 12.308 5.854 -5.333 1.00 10.00 H new ATOM 0 HD2 ARG A 124 12.119 4.241 -6.942 1.00 10.00 H new ATOM 0 HD3 ARG A 124 10.463 3.871 -6.505 1.00 10.00 H new ATOM 0 HE ARG A 124 10.327 6.364 -7.784 1.00 10.00 H new ATOM 0 HH11 ARG A 124 11.367 3.081 -8.601 1.00 10.00 H new ATOM 0 HH12 ARG A 124 11.048 3.279 -10.328 1.00 10.00 H new ATOM 0 HH21 ARG A 124 9.962 6.646 -10.018 1.00 10.00 H new ATOM 0 HH22 ARG A 124 10.249 5.307 -11.134 1.00 10.00 H new ATOM 745 N GLU A 125 7.626 3.749 -5.207 1.00 10.00 N ATOM 746 CA GLU A 125 6.669 3.307 -6.213 1.00 10.00 C ATOM 747 C GLU A 125 5.319 4.006 -5.996 1.00 10.00 C ATOM 748 O GLU A 125 4.659 4.395 -6.959 1.00 10.00 O ATOM 749 CB GLU A 125 6.567 1.775 -6.191 1.00 10.00 C ATOM 750 CG GLU A 125 5.888 1.227 -7.453 1.00 10.00 C ATOM 751 CD GLU A 125 6.011 -0.290 -7.530 1.00 10.00 C ATOM 752 OE1 GLU A 125 5.594 -0.942 -6.550 1.00 10.00 O ATOM 753 OE2 GLU A 125 6.542 -0.762 -8.558 1.00 10.00 O ATOM 0 H GLU A 125 7.744 3.093 -4.435 1.00 10.00 H new ATOM 0 HA GLU A 125 7.009 3.589 -7.210 1.00 10.00 H new ATOM 0 HB2 GLU A 125 7.565 1.346 -6.101 1.00 10.00 H new ATOM 0 HB3 GLU A 125 6.005 1.461 -5.311 1.00 10.00 H new ATOM 0 HG2 GLU A 125 4.835 1.510 -7.455 1.00 10.00 H new ATOM 0 HG3 GLU A 125 6.340 1.677 -8.337 1.00 10.00 H new ATOM 760 N ALA A 126 4.930 4.240 -4.739 1.00 10.00 N ATOM 761 CA ALA A 126 3.735 4.978 -4.343 1.00 10.00 C ATOM 762 C ALA A 126 3.860 6.487 -4.587 1.00 10.00 C ATOM 763 O ALA A 126 3.321 7.277 -3.812 1.00 10.00 O ATOM 764 CB ALA A 126 3.390 4.684 -2.874 1.00 10.00 C ATOM 0 H ALA A 126 5.465 3.904 -3.938 1.00 10.00 H new ATOM 0 HA ALA A 126 2.919 4.632 -4.977 1.00 10.00 H new ATOM 0 HB1 ALA A 126 2.497 5.241 -2.592 1.00 10.00 H new ATOM 0 HB2 ALA A 126 3.207 3.617 -2.750 1.00 10.00 H new ATOM 0 HB3 ALA A 126 4.222 4.986 -2.237 1.00 10.00 H new ATOM 770 N ASP A 127 4.482 6.878 -5.701 1.00 10.00 N ATOM 771 CA ASP A 127 4.572 8.251 -6.152 1.00 10.00 C ATOM 772 C ASP A 127 3.741 8.338 -7.435 1.00 10.00 C ATOM 773 O ASP A 127 4.289 8.449 -8.531 1.00 10.00 O ATOM 774 CB ASP A 127 6.040 8.645 -6.420 1.00 10.00 C ATOM 775 CG ASP A 127 6.904 8.911 -5.188 1.00 10.00 C ATOM 776 OD1 ASP A 127 6.506 8.511 -4.075 1.00 10.00 O ATOM 777 OD2 ASP A 127 7.986 9.504 -5.394 1.00 10.00 O ATOM 0 H ASP A 127 4.948 6.221 -6.327 1.00 10.00 H new ATOM 0 HA ASP A 127 4.197 8.939 -5.394 1.00 10.00 H new ATOM 0 HB2 ASP A 127 6.507 7.850 -7.001 1.00 10.00 H new ATOM 0 HB3 ASP A 127 6.046 9.540 -7.042 1.00 10.00 H new ATOM 782 N VAL A 128 2.412 8.237 -7.320 1.00 10.00 N ATOM 783 CA VAL A 128 1.523 8.472 -8.453 1.00 10.00 C ATOM 784 C VAL A 128 1.670 9.930 -8.898 1.00 10.00 C ATOM 785 O VAL A 128 1.952 10.202 -10.064 1.00 10.00 O ATOM 786 CB VAL A 128 0.057 8.075 -8.178 1.00 10.00 C ATOM 787 CG1 VAL A 128 -0.956 8.912 -8.970 1.00 10.00 C ATOM 788 CG2 VAL A 128 -0.114 6.593 -8.535 1.00 10.00 C ATOM 0 H VAL A 128 1.933 7.994 -6.453 1.00 10.00 H new ATOM 0 HA VAL A 128 1.824 7.816 -9.270 1.00 10.00 H new ATOM 0 HB VAL A 128 -0.146 8.261 -7.123 1.00 10.00 H new ATOM 0 HG11 VAL A 128 -1.967 8.582 -8.731 1.00 10.00 H new ATOM 0 HG12 VAL A 128 -0.845 9.964 -8.705 1.00 10.00 H new ATOM 0 HG13 VAL A 128 -0.776 8.786 -10.038 1.00 10.00 H new ATOM 0 HG21 VAL A 128 -1.144 6.290 -8.348 1.00 10.00 H new ATOM 0 HG22 VAL A 128 0.123 6.443 -9.588 1.00 10.00 H new ATOM 0 HG23 VAL A 128 0.558 5.991 -7.923 1.00 10.00 H new ATOM 798 N ASP A 129 1.449 10.859 -7.962 1.00 10.00 N ATOM 799 CA ASP A 129 1.601 12.285 -8.202 1.00 10.00 C ATOM 800 C ASP A 129 3.069 12.648 -7.963 1.00 10.00 C ATOM 801 O ASP A 129 3.876 11.818 -7.547 1.00 10.00 O ATOM 802 CB ASP A 129 0.681 13.091 -7.260 1.00 10.00 C ATOM 803 CG ASP A 129 -0.816 12.889 -7.486 1.00 10.00 C ATOM 804 OD1 ASP A 129 -1.214 12.777 -8.661 1.00 10.00 O ATOM 805 OD2 ASP A 129 -1.560 12.934 -6.475 1.00 10.00 O ATOM 0 H ASP A 129 1.157 10.633 -7.011 1.00 10.00 H new ATOM 0 HA ASP A 129 1.317 12.529 -9.226 1.00 10.00 H new ATOM 0 HB2 ASP A 129 0.917 12.822 -6.230 1.00 10.00 H new ATOM 0 HB3 ASP A 129 0.910 14.151 -7.373 1.00 10.00 H new ATOM 810 N GLN A 130 3.403 13.925 -8.149 1.00 10.00 N ATOM 811 CA GLN A 130 4.687 14.498 -7.748 1.00 10.00 C ATOM 812 C GLN A 130 4.739 14.660 -6.217 1.00 10.00 C ATOM 813 O GLN A 130 4.972 15.761 -5.723 1.00 10.00 O ATOM 814 CB GLN A 130 4.908 15.836 -8.495 1.00 10.00 C ATOM 815 CG GLN A 130 5.640 15.673 -9.835 1.00 10.00 C ATOM 816 CD GLN A 130 7.158 15.584 -9.655 1.00 10.00 C ATOM 817 OE1 GLN A 130 7.652 15.071 -8.658 1.00 10.00 O ATOM 818 NE2 GLN A 130 7.926 16.105 -10.610 1.00 10.00 N ATOM 0 H GLN A 130 2.779 14.601 -8.590 1.00 10.00 H new ATOM 0 HA GLN A 130 5.501 13.828 -8.023 1.00 10.00 H new ATOM 0 HB2 GLN A 130 3.942 16.308 -8.672 1.00 10.00 H new ATOM 0 HB3 GLN A 130 5.480 16.510 -7.857 1.00 10.00 H new ATOM 0 HG2 GLN A 130 5.282 14.774 -10.336 1.00 10.00 H new ATOM 0 HG3 GLN A 130 5.401 16.516 -10.483 1.00 10.00 H new ATOM 0 HE21 GLN A 130 7.499 16.528 -11.434 1.00 10.00 H new ATOM 0 HE22 GLN A 130 8.942 16.081 -10.518 1.00 10.00 H new ATOM 827 N ASP A 131 4.530 13.572 -5.463 1.00 10.00 N ATOM 828 CA ASP A 131 4.815 13.487 -4.032 1.00 10.00 C ATOM 829 C ASP A 131 4.674 12.012 -3.634 1.00 10.00 C ATOM 830 O ASP A 131 4.422 11.173 -4.498 1.00 10.00 O ATOM 831 CB ASP A 131 3.804 14.340 -3.237 1.00 10.00 C ATOM 832 CG ASP A 131 4.342 14.886 -1.926 1.00 10.00 C ATOM 833 OD1 ASP A 131 5.051 14.118 -1.242 1.00 10.00 O ATOM 834 OD2 ASP A 131 3.973 16.036 -1.605 1.00 10.00 O ATOM 0 H ASP A 131 4.148 12.707 -5.845 1.00 10.00 H new ATOM 0 HA ASP A 131 5.816 13.859 -3.815 1.00 10.00 H new ATOM 0 HB2 ASP A 131 3.482 15.175 -3.860 1.00 10.00 H new ATOM 0 HB3 ASP A 131 2.920 13.736 -3.030 1.00 10.00 H new ATOM 839 N GLY A 132 4.640 11.714 -2.335 1.00 10.00 N ATOM 840 CA GLY A 132 4.470 10.365 -1.810 1.00 10.00 C ATOM 841 C GLY A 132 2.993 9.987 -1.750 1.00 10.00 C ATOM 842 O GLY A 132 2.464 9.709 -0.675 1.00 10.00 O ATOM 0 H GLY A 132 4.732 12.421 -1.605 1.00 10.00 H new ATOM 0 HA2 GLY A 132 5.006 9.655 -2.440 1.00 10.00 H new ATOM 0 HA3 GLY A 132 4.907 10.300 -0.814 1.00 10.00 H new ATOM 846 N ARG A 133 2.318 10.023 -2.901 1.00 10.00 N ATOM 847 CA ARG A 133 0.881 9.815 -3.034 1.00 10.00 C ATOM 848 C ARG A 133 0.652 8.716 -4.060 1.00 10.00 C ATOM 849 O ARG A 133 0.909 8.980 -5.228 1.00 10.00 O ATOM 850 CB ARG A 133 0.249 11.101 -3.585 1.00 10.00 C ATOM 851 CG ARG A 133 0.351 12.281 -2.617 1.00 10.00 C ATOM 852 CD ARG A 133 0.438 13.598 -3.395 1.00 10.00 C ATOM 853 NE ARG A 133 -0.759 13.877 -4.187 1.00 10.00 N ATOM 854 CZ ARG A 133 -1.211 15.091 -4.522 1.00 10.00 C ATOM 855 NH1 ARG A 133 -0.591 16.200 -4.098 1.00 10.00 N ATOM 856 NH2 ARG A 133 -2.274 15.159 -5.322 1.00 10.00 N ATOM 0 H ARG A 133 2.776 10.204 -3.794 1.00 10.00 H new ATOM 0 HA ARG A 133 0.448 9.551 -2.069 1.00 10.00 H new ATOM 0 HB2 ARG A 133 0.736 11.365 -4.523 1.00 10.00 H new ATOM 0 HB3 ARG A 133 -0.801 10.915 -3.812 1.00 10.00 H new ATOM 0 HG2 ARG A 133 -0.517 12.296 -1.958 1.00 10.00 H new ATOM 0 HG3 ARG A 133 1.230 12.166 -1.983 1.00 10.00 H new ATOM 0 HD2 ARG A 133 0.602 14.417 -2.694 1.00 10.00 H new ATOM 0 HD3 ARG A 133 1.304 13.566 -4.056 1.00 10.00 H new ATOM 0 HE ARG A 133 -1.298 13.075 -4.513 1.00 10.00 H new ATOM 0 HH11 ARG A 133 0.239 16.127 -3.510 1.00 10.00 H new ATOM 0 HH12 ARG A 133 -0.949 17.118 -4.363 1.00 10.00 H new ATOM 0 HH21 ARG A 133 -2.715 14.303 -5.658 1.00 10.00 H new ATOM 0 HH22 ARG A 133 -2.647 16.067 -5.599 1.00 10.00 H new ATOM 870 N VAL A 134 0.141 7.536 -3.682 1.00 10.00 N ATOM 871 CA VAL A 134 -0.282 6.536 -4.665 1.00 10.00 C ATOM 872 C VAL A 134 -1.767 6.736 -5.016 1.00 10.00 C ATOM 873 O VAL A 134 -2.478 7.463 -4.327 1.00 10.00 O ATOM 874 CB VAL A 134 -0.002 5.097 -4.170 1.00 10.00 C ATOM 875 CG1 VAL A 134 -1.208 4.539 -3.453 1.00 10.00 C ATOM 876 CG2 VAL A 134 0.400 4.191 -5.342 1.00 10.00 C ATOM 0 H VAL A 134 0.012 7.255 -2.710 1.00 10.00 H new ATOM 0 HA VAL A 134 0.307 6.675 -5.572 1.00 10.00 H new ATOM 0 HB VAL A 134 0.829 5.132 -3.465 1.00 10.00 H new ATOM 0 HG11 VAL A 134 -0.992 3.526 -3.112 1.00 10.00 H new ATOM 0 HG12 VAL A 134 -1.444 5.168 -2.595 1.00 10.00 H new ATOM 0 HG13 VAL A 134 -2.059 4.519 -4.134 1.00 10.00 H new ATOM 0 HG21 VAL A 134 0.593 3.183 -4.974 1.00 10.00 H new ATOM 0 HG22 VAL A 134 -0.408 4.162 -6.073 1.00 10.00 H new ATOM 0 HG23 VAL A 134 1.301 4.584 -5.813 1.00 10.00 H new ATOM 886 N ASN A 135 -2.264 6.009 -6.023 1.00 10.00 N ATOM 887 CA ASN A 135 -3.690 5.755 -6.200 1.00 10.00 C ATOM 888 C ASN A 135 -3.955 4.353 -5.656 1.00 10.00 C ATOM 889 O ASN A 135 -3.351 3.399 -6.155 1.00 10.00 O ATOM 890 CB ASN A 135 -4.075 5.845 -7.681 1.00 10.00 C ATOM 891 CG ASN A 135 -5.450 6.469 -7.846 1.00 10.00 C ATOM 892 OD1 ASN A 135 -6.465 5.787 -7.765 1.00 10.00 O ATOM 893 ND2 ASN A 135 -5.480 7.777 -8.082 1.00 10.00 N ATOM 0 H ASN A 135 -1.680 5.579 -6.741 1.00 10.00 H new ATOM 0 HA ASN A 135 -4.288 6.497 -5.671 1.00 10.00 H new ATOM 0 HB2 ASN A 135 -3.335 6.438 -8.218 1.00 10.00 H new ATOM 0 HB3 ASN A 135 -4.067 4.849 -8.124 1.00 10.00 H new ATOM 0 HD21 ASN A 135 -6.374 8.253 -8.204 1.00 10.00 H new ATOM 0 HD22 ASN A 135 -4.609 8.305 -8.141 1.00 10.00 H new ATOM 900 N TYR A 136 -4.777 4.240 -4.606 1.00 10.00 N ATOM 901 CA TYR A 136 -5.045 2.996 -3.876 1.00 10.00 C ATOM 902 C TYR A 136 -5.156 1.798 -4.839 1.00 10.00 C ATOM 903 O TYR A 136 -4.453 0.802 -4.673 1.00 10.00 O ATOM 904 CB TYR A 136 -6.280 3.207 -2.990 1.00 10.00 C ATOM 905 CG TYR A 136 -7.217 2.032 -2.970 1.00 10.00 C ATOM 906 CD1 TYR A 136 -6.891 0.872 -2.248 1.00 10.00 C ATOM 907 CD2 TYR A 136 -8.290 2.022 -3.872 1.00 10.00 C ATOM 908 CE1 TYR A 136 -7.628 -0.304 -2.454 1.00 10.00 C ATOM 909 CE2 TYR A 136 -9.084 0.884 -4.001 1.00 10.00 C ATOM 910 CZ TYR A 136 -8.706 -0.309 -3.360 1.00 10.00 C ATOM 911 OH TYR A 136 -9.239 -1.495 -3.758 1.00 10.00 O ATOM 0 H TYR A 136 -5.290 5.037 -4.229 1.00 10.00 H new ATOM 0 HA TYR A 136 -4.211 2.746 -3.221 1.00 10.00 H new ATOM 0 HB2 TYR A 136 -5.954 3.418 -1.972 1.00 10.00 H new ATOM 0 HB3 TYR A 136 -6.821 4.086 -3.340 1.00 10.00 H new ATOM 0 HD1 TYR A 136 -6.077 0.885 -1.538 1.00 10.00 H new ATOM 0 HD2 TYR A 136 -8.502 2.898 -4.468 1.00 10.00 H new ATOM 0 HE1 TYR A 136 -7.369 -1.205 -1.918 1.00 10.00 H new ATOM 0 HE2 TYR A 136 -9.987 0.918 -4.592 1.00 10.00 H new ATOM 0 HH TYR A 136 -9.555 -1.418 -4.682 1.00 10.00 H new ATOM 921 N GLU A 137 -6.027 1.905 -5.848 1.00 10.00 N ATOM 922 CA GLU A 137 -6.346 0.796 -6.735 1.00 10.00 C ATOM 923 C GLU A 137 -5.185 0.534 -7.698 1.00 10.00 C ATOM 924 O GLU A 137 -4.665 -0.578 -7.764 1.00 10.00 O ATOM 925 CB GLU A 137 -7.671 1.090 -7.461 1.00 10.00 C ATOM 926 CG GLU A 137 -8.223 -0.123 -8.224 1.00 10.00 C ATOM 927 CD GLU A 137 -8.522 -1.306 -7.309 1.00 10.00 C ATOM 928 OE1 GLU A 137 -9.283 -1.107 -6.338 1.00 10.00 O ATOM 929 OE2 GLU A 137 -7.959 -2.391 -7.565 1.00 10.00 O ATOM 0 H GLU A 137 -6.528 2.766 -6.068 1.00 10.00 H new ATOM 0 HA GLU A 137 -6.483 -0.120 -6.160 1.00 10.00 H new ATOM 0 HB2 GLU A 137 -8.411 1.421 -6.733 1.00 10.00 H new ATOM 0 HB3 GLU A 137 -7.521 1.913 -8.160 1.00 10.00 H new ATOM 0 HG2 GLU A 137 -9.134 0.166 -8.747 1.00 10.00 H new ATOM 0 HG3 GLU A 137 -7.503 -0.429 -8.983 1.00 10.00 H new ATOM 936 N GLU A 138 -4.744 1.569 -8.424 1.00 10.00 N ATOM 937 CA GLU A 138 -3.665 1.457 -9.405 1.00 10.00 C ATOM 938 C GLU A 138 -2.414 0.835 -8.765 1.00 10.00 C ATOM 939 O GLU A 138 -1.697 0.078 -9.417 1.00 10.00 O ATOM 940 CB GLU A 138 -3.378 2.832 -10.034 1.00 10.00 C ATOM 941 CG GLU A 138 -2.611 2.781 -11.372 1.00 10.00 C ATOM 942 CD GLU A 138 -3.430 2.257 -12.555 1.00 10.00 C ATOM 943 OE1 GLU A 138 -4.613 2.642 -12.643 1.00 10.00 O ATOM 944 OE2 GLU A 138 -2.862 1.503 -13.383 1.00 10.00 O ATOM 0 H GLU A 138 -5.129 2.510 -8.345 1.00 10.00 H new ATOM 0 HA GLU A 138 -3.976 0.788 -10.208 1.00 10.00 H new ATOM 0 HB2 GLU A 138 -4.325 3.349 -10.193 1.00 10.00 H new ATOM 0 HB3 GLU A 138 -2.805 3.429 -9.324 1.00 10.00 H new ATOM 0 HG2 GLU A 138 -2.254 3.783 -11.610 1.00 10.00 H new ATOM 0 HG3 GLU A 138 -1.731 2.150 -11.248 1.00 10.00 H new ATOM 951 N PHE A 139 -2.163 1.099 -7.475 1.00 10.00 N ATOM 952 CA PHE A 139 -1.116 0.383 -6.749 1.00 10.00 C ATOM 953 C PHE A 139 -1.221 -1.121 -6.959 1.00 10.00 C ATOM 954 O PHE A 139 -0.239 -1.786 -7.286 1.00 10.00 O ATOM 955 CB PHE A 139 -1.122 0.696 -5.245 1.00 10.00 C ATOM 956 CG PHE A 139 0.126 0.215 -4.508 1.00 10.00 C ATOM 957 CD1 PHE A 139 0.489 -1.149 -4.516 1.00 10.00 C ATOM 958 CD2 PHE A 139 0.825 1.088 -3.652 1.00 10.00 C ATOM 959 CE1 PHE A 139 1.659 -1.578 -3.881 1.00 10.00 C ATOM 960 CE2 PHE A 139 1.932 0.636 -2.919 1.00 10.00 C ATOM 961 CZ PHE A 139 2.339 -0.701 -3.031 1.00 10.00 C ATOM 0 H PHE A 139 -2.665 1.794 -6.923 1.00 10.00 H new ATOM 0 HA PHE A 139 -0.171 0.736 -7.161 1.00 10.00 H new ATOM 0 HB2 PHE A 139 -1.220 1.773 -5.108 1.00 10.00 H new ATOM 0 HB3 PHE A 139 -2.000 0.236 -4.792 1.00 10.00 H new ATOM 0 HD1 PHE A 139 -0.142 -1.868 -5.017 1.00 10.00 H new ATOM 0 HD2 PHE A 139 0.505 2.115 -3.559 1.00 10.00 H new ATOM 0 HE1 PHE A 139 2.034 -2.577 -4.046 1.00 10.00 H new ATOM 0 HE2 PHE A 139 2.468 1.314 -2.272 1.00 10.00 H new ATOM 0 HZ PHE A 139 3.183 -1.055 -2.457 1.00 10.00 H new ATOM 971 N ALA A 140 -2.393 -1.686 -6.698 1.00 10.00 N ATOM 972 CA ALA A 140 -2.556 -3.126 -6.655 1.00 10.00 C ATOM 973 C ALA A 140 -2.138 -3.751 -7.985 1.00 10.00 C ATOM 974 O ALA A 140 -1.483 -4.794 -8.014 1.00 10.00 O ATOM 975 CB ALA A 140 -4.005 -3.429 -6.301 1.00 10.00 C ATOM 0 H ALA A 140 -3.248 -1.161 -6.512 1.00 10.00 H new ATOM 0 HA ALA A 140 -1.911 -3.565 -5.894 1.00 10.00 H new ATOM 0 HB1 ALA A 140 -4.152 -4.508 -6.263 1.00 10.00 H new ATOM 0 HB2 ALA A 140 -4.240 -2.996 -5.329 1.00 10.00 H new ATOM 0 HB3 ALA A 140 -4.662 -3.000 -7.058 1.00 10.00 H new ATOM 981 N ARG A 141 -2.469 -3.060 -9.076 1.00 10.00 N ATOM 982 CA ARG A 141 -2.007 -3.386 -10.412 1.00 10.00 C ATOM 983 C ARG A 141 -0.478 -3.483 -10.461 1.00 10.00 C ATOM 984 O ARG A 141 0.065 -4.391 -11.085 1.00 10.00 O ATOM 985 CB ARG A 141 -2.505 -2.305 -11.368 1.00 10.00 C ATOM 986 CG ARG A 141 -2.432 -2.751 -12.825 1.00 10.00 C ATOM 987 CD ARG A 141 -2.664 -1.506 -13.675 1.00 10.00 C ATOM 988 NE ARG A 141 -2.637 -1.834 -15.096 1.00 10.00 N ATOM 989 CZ ARG A 141 -2.754 -0.943 -16.082 1.00 10.00 C ATOM 990 NH1 ARG A 141 -2.911 0.361 -15.810 1.00 10.00 N ATOM 991 NH2 ARG A 141 -2.703 -1.403 -17.333 1.00 10.00 N ATOM 0 H ARG A 141 -3.078 -2.243 -9.048 1.00 10.00 H new ATOM 0 HA ARG A 141 -2.402 -4.359 -10.706 1.00 10.00 H new ATOM 0 HB2 ARG A 141 -3.534 -2.048 -11.119 1.00 10.00 H new ATOM 0 HB3 ARG A 141 -1.910 -1.402 -11.235 1.00 10.00 H new ATOM 0 HG2 ARG A 141 -1.461 -3.195 -13.046 1.00 10.00 H new ATOM 0 HG3 ARG A 141 -3.185 -3.510 -13.036 1.00 10.00 H new ATOM 0 HD2 ARG A 141 -3.625 -1.060 -13.419 1.00 10.00 H new ATOM 0 HD3 ARG A 141 -1.898 -0.762 -13.455 1.00 10.00 H new ATOM 0 HE ARG A 141 -2.520 -2.814 -15.354 1.00 10.00 H new ATOM 0 HH11 ARG A 141 -2.942 0.680 -14.842 1.00 10.00 H new ATOM 0 HH12 ARG A 141 -2.999 1.034 -16.572 1.00 10.00 H new ATOM 0 HH21 ARG A 141 -2.579 -2.401 -17.505 1.00 10.00 H new ATOM 0 HH22 ARG A 141 -2.788 -0.757 -18.118 1.00 10.00 H new ATOM 1005 N MET A 142 0.227 -2.548 -9.819 1.00 10.00 N ATOM 1006 CA MET A 142 1.680 -2.559 -9.794 1.00 10.00 C ATOM 1007 C MET A 142 2.211 -3.758 -9.007 1.00 10.00 C ATOM 1008 O MET A 142 3.076 -4.449 -9.537 1.00 10.00 O ATOM 1009 CB MET A 142 2.266 -1.246 -9.270 1.00 10.00 C ATOM 1010 CG MET A 142 1.944 -0.051 -10.178 1.00 10.00 C ATOM 1011 SD MET A 142 3.101 0.167 -11.557 1.00 10.00 S ATOM 1012 CE MET A 142 2.232 1.425 -12.516 1.00 10.00 C ATOM 0 H MET A 142 -0.194 -1.772 -9.309 1.00 10.00 H new ATOM 0 HA MET A 142 2.012 -2.659 -10.827 1.00 10.00 H new ATOM 0 HB2 MET A 142 1.878 -1.053 -8.270 1.00 10.00 H new ATOM 0 HB3 MET A 142 3.347 -1.346 -9.178 1.00 10.00 H new ATOM 0 HG2 MET A 142 0.938 -0.174 -10.579 1.00 10.00 H new ATOM 0 HG3 MET A 142 1.938 0.858 -9.576 1.00 10.00 H new ATOM 0 HE1 MET A 142 2.814 1.673 -13.404 1.00 10.00 H new ATOM 0 HE2 MET A 142 1.256 1.044 -12.817 1.00 10.00 H new ATOM 0 HE3 MET A 142 2.100 2.320 -11.907 1.00 10.00 H new ATOM 1022 N LEU A 143 1.732 -4.053 -7.782 1.00 10.00 N ATOM 1023 CA LEU A 143 2.230 -5.232 -7.098 1.00 10.00 C ATOM 1024 C LEU A 143 1.920 -6.487 -7.929 1.00 10.00 C ATOM 1025 O LEU A 143 2.783 -7.346 -8.094 1.00 10.00 O ATOM 1026 CB LEU A 143 1.686 -5.356 -5.664 1.00 10.00 C ATOM 1027 CG LEU A 143 2.741 -5.878 -4.677 1.00 10.00 C ATOM 1028 CD1 LEU A 143 1.976 -6.453 -3.491 1.00 10.00 C ATOM 1029 CD2 LEU A 143 3.662 -6.980 -5.208 1.00 10.00 C ATOM 0 H LEU A 143 1.032 -3.510 -7.276 1.00 10.00 H new ATOM 0 HA LEU A 143 3.311 -5.130 -7.002 1.00 10.00 H new ATOM 0 HB2 LEU A 143 1.330 -4.382 -5.329 1.00 10.00 H new ATOM 0 HB3 LEU A 143 0.827 -6.027 -5.662 1.00 10.00 H new ATOM 0 HG LEU A 143 3.393 -5.037 -4.443 1.00 10.00 H new ATOM 0 HD11 LEU A 143 2.682 -6.840 -2.756 1.00 10.00 H new ATOM 0 HD12 LEU A 143 1.370 -5.670 -3.035 1.00 10.00 H new ATOM 0 HD13 LEU A 143 1.329 -7.261 -3.833 1.00 10.00 H new ATOM 0 HD21 LEU A 143 4.366 -7.272 -4.429 1.00 10.00 H new ATOM 0 HD22 LEU A 143 3.065 -7.844 -5.500 1.00 10.00 H new ATOM 0 HD23 LEU A 143 4.212 -6.609 -6.073 1.00 10.00 H new ATOM 1041 N ALA A 144 0.695 -6.596 -8.464 1.00 10.00 N ATOM 1042 CA ALA A 144 0.342 -7.654 -9.404 1.00 10.00 C ATOM 1043 C ALA A 144 1.360 -7.753 -10.545 1.00 10.00 C ATOM 1044 O ALA A 144 1.782 -8.853 -10.889 1.00 10.00 O ATOM 1045 CB ALA A 144 -1.068 -7.414 -9.947 1.00 10.00 C ATOM 0 H ALA A 144 -0.070 -5.954 -8.255 1.00 10.00 H new ATOM 0 HA ALA A 144 0.360 -8.606 -8.874 1.00 10.00 H new ATOM 0 HB1 ALA A 144 -1.327 -8.207 -10.649 1.00 10.00 H new ATOM 0 HB2 ALA A 144 -1.780 -7.412 -9.122 1.00 10.00 H new ATOM 0 HB3 ALA A 144 -1.102 -6.452 -10.458 1.00 10.00 H new