USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 537 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 17 SER OG : rot -75:sc= 2.09 USER MOD Set 1.2: A 48 THR OG1 : rot -69:sc= 1 USER MOD Single : A 6 THR OG1 : rot 120:sc= 1.2 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00486 USER MOD Single : A 40 TYR OH : rot 168:sc= -0.553 USER MOD Single : A 42 SER OG : rot 180:sc= -0.163 USER MOD Single : A 46 MET CE :methyl 154:sc= -0.365 (180deg=-1.36!) USER MOD Single : A 54 SER OG : rot 71:sc= 1.28 USER MOD Single : A 56 TYR OH : rot -134:sc= 1.19 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0202 USER MOD Single : A 70 THR OG1 : rot -42:sc= 0.261 USER MOD Single : A 79 ASN :FLIP amide:sc= -0.361 F(o=-1.8,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -11.503 -9.261 1.161 1.00 0.86 N ATOM 45 CA LEU A 4 -10.532 -8.346 1.726 1.00 0.72 C ATOM 46 C LEU A 4 -9.129 -8.864 1.485 1.00 0.67 C ATOM 47 O LEU A 4 -8.841 -10.028 1.763 1.00 0.83 O ATOM 48 CB LEU A 4 -10.747 -8.140 3.255 1.00 0.71 C ATOM 49 CG LEU A 4 -12.097 -7.556 3.746 1.00 0.87 C ATOM 50 CD1 LEU A 4 -12.495 -6.300 2.992 1.00 0.80 C ATOM 51 CD2 LEU A 4 -13.211 -8.594 3.752 1.00 1.75 C ATOM 0 HA LEU A 4 -10.667 -7.384 1.231 1.00 0.72 H new ATOM 0 HB2 LEU A 4 -10.609 -9.106 3.741 1.00 0.71 H new ATOM 0 HB3 LEU A 4 -9.953 -7.485 3.615 1.00 0.71 H new ATOM 0 HG LEU A 4 -11.939 -7.260 4.783 1.00 0.87 H new ATOM 0 HD11 LEU A 4 -13.447 -5.932 3.375 1.00 0.80 H new ATOM 0 HD12 LEU A 4 -11.730 -5.536 3.128 1.00 0.80 H new ATOM 0 HD13 LEU A 4 -12.595 -6.529 1.931 1.00 0.80 H new ATOM 0 HD21 LEU A 4 -14.135 -8.134 4.104 1.00 1.75 H new ATOM 0 HD22 LEU A 4 -13.358 -8.976 2.742 1.00 1.75 H new ATOM 0 HD23 LEU A 4 -12.939 -9.416 4.415 1.00 1.75 H new ATOM 63 N LEU A 5 -8.287 -8.015 0.940 1.00 0.55 N ATOM 64 CA LEU A 5 -6.882 -8.353 0.707 1.00 0.51 C ATOM 65 C LEU A 5 -6.130 -8.333 2.038 1.00 0.46 C ATOM 66 O LEU A 5 -6.464 -7.531 2.939 1.00 0.50 O ATOM 67 CB LEU A 5 -6.204 -7.381 -0.303 1.00 0.53 C ATOM 68 CG LEU A 5 -5.851 -5.925 0.150 1.00 0.62 C ATOM 69 CD1 LEU A 5 -5.119 -5.190 -0.954 1.00 0.66 C ATOM 70 CD2 LEU A 5 -7.071 -5.110 0.559 1.00 0.95 C ATOM 0 H LEU A 5 -8.545 -7.074 0.644 1.00 0.55 H new ATOM 0 HA LEU A 5 -6.845 -9.350 0.269 1.00 0.51 H new ATOM 0 HB2 LEU A 5 -5.280 -7.852 -0.640 1.00 0.53 H new ATOM 0 HB3 LEU A 5 -6.858 -7.304 -1.172 1.00 0.53 H new ATOM 0 HG LEU A 5 -5.214 -6.030 1.028 1.00 0.62 H new ATOM 0 HD11 LEU A 5 -4.881 -4.179 -0.623 1.00 0.66 H new ATOM 0 HD12 LEU A 5 -4.197 -5.720 -1.195 1.00 0.66 H new ATOM 0 HD13 LEU A 5 -5.751 -5.142 -1.840 1.00 0.66 H new ATOM 0 HD21 LEU A 5 -6.757 -4.111 0.862 1.00 0.95 H new ATOM 0 HD22 LEU A 5 -7.757 -5.034 -0.284 1.00 0.95 H new ATOM 0 HD23 LEU A 5 -7.573 -5.601 1.393 1.00 0.95 H new ATOM 82 N THR A 6 -5.168 -9.215 2.192 1.00 0.47 N ATOM 83 CA THR A 6 -4.394 -9.258 3.404 1.00 0.49 C ATOM 84 C THR A 6 -3.089 -8.483 3.248 1.00 0.40 C ATOM 85 O THR A 6 -2.841 -7.849 2.206 1.00 0.38 O ATOM 86 CB THR A 6 -4.107 -10.710 3.885 1.00 0.70 C ATOM 87 OG1 THR A 6 -3.385 -11.447 2.874 1.00 0.82 O ATOM 88 CG2 THR A 6 -5.408 -11.428 4.218 1.00 0.93 C ATOM 0 H THR A 6 -4.906 -9.909 1.492 1.00 0.47 H new ATOM 0 HA THR A 6 -5.001 -8.780 4.173 1.00 0.49 H new ATOM 0 HB THR A 6 -3.494 -10.655 4.784 1.00 0.70 H new ATOM 0 HG1 THR A 6 -2.522 -11.739 3.236 1.00 0.82 H new ATOM 0 HG21 THR A 6 -5.189 -12.442 4.553 1.00 0.93 H new ATOM 0 HG22 THR A 6 -5.929 -10.889 5.010 1.00 0.93 H new ATOM 0 HG23 THR A 6 -6.039 -11.467 3.330 1.00 0.93 H new ATOM 96 N THR A 7 -2.242 -8.572 4.248 1.00 0.44 N ATOM 97 CA THR A 7 -0.980 -7.892 4.254 1.00 0.42 C ATOM 98 C THR A 7 -0.031 -8.522 3.224 1.00 0.37 C ATOM 99 O THR A 7 0.854 -7.860 2.679 1.00 0.39 O ATOM 100 CB THR A 7 -0.367 -8.030 5.648 1.00 0.50 C ATOM 101 OG1 THR A 7 -1.409 -7.842 6.627 1.00 0.58 O ATOM 102 CG2 THR A 7 0.701 -6.985 5.857 1.00 0.54 C ATOM 0 H THR A 7 -2.418 -9.126 5.086 1.00 0.44 H new ATOM 0 HA THR A 7 -1.129 -6.843 3.999 1.00 0.42 H new ATOM 0 HB THR A 7 0.083 -9.018 5.750 1.00 0.50 H new ATOM 0 HG1 THR A 7 -1.032 -7.929 7.527 1.00 0.58 H new ATOM 0 HG21 THR A 7 1.128 -7.096 6.854 1.00 0.54 H new ATOM 0 HG22 THR A 7 1.485 -7.111 5.110 1.00 0.54 H new ATOM 0 HG23 THR A 7 0.263 -5.992 5.758 1.00 0.54 H new ATOM 110 N ASP A 8 -0.265 -9.789 2.951 1.00 0.41 N ATOM 111 CA ASP A 8 0.552 -10.580 2.055 1.00 0.46 C ATOM 112 C ASP A 8 0.488 -10.041 0.652 1.00 0.42 C ATOM 113 O ASP A 8 1.503 -9.970 -0.040 1.00 0.47 O ATOM 114 CB ASP A 8 0.089 -12.031 2.068 1.00 0.62 C ATOM 115 CG ASP A 8 -0.030 -12.574 3.468 1.00 1.41 C ATOM 116 OD1 ASP A 8 -1.100 -12.399 4.101 1.00 2.01 O ATOM 117 OD2 ASP A 8 0.939 -13.219 3.930 1.00 1.98 O ATOM 0 H ASP A 8 -1.045 -10.308 3.354 1.00 0.41 H new ATOM 0 HA ASP A 8 1.584 -10.526 2.401 1.00 0.46 H new ATOM 0 HB2 ASP A 8 -0.876 -12.108 1.566 1.00 0.62 H new ATOM 0 HB3 ASP A 8 0.793 -12.641 1.501 1.00 0.62 H new ATOM 122 N ASP A 9 -0.691 -9.636 0.249 1.00 0.41 N ATOM 123 CA ASP A 9 -0.913 -9.082 -1.080 1.00 0.46 C ATOM 124 C ASP A 9 -0.198 -7.733 -1.220 1.00 0.40 C ATOM 125 O ASP A 9 0.526 -7.496 -2.196 1.00 0.46 O ATOM 126 CB ASP A 9 -2.415 -8.962 -1.370 1.00 0.54 C ATOM 127 CG ASP A 9 -2.727 -8.356 -2.721 1.00 0.98 C ATOM 128 OD1 ASP A 9 -2.090 -8.743 -3.727 1.00 1.21 O ATOM 129 OD2 ASP A 9 -3.668 -7.558 -2.816 1.00 1.83 O ATOM 0 H ASP A 9 -1.530 -9.678 0.828 1.00 0.41 H new ATOM 0 HA ASP A 9 -0.490 -9.760 -1.822 1.00 0.46 H new ATOM 0 HB2 ASP A 9 -2.867 -9.952 -1.313 1.00 0.54 H new ATOM 0 HB3 ASP A 9 -2.879 -8.354 -0.593 1.00 0.54 H new ATOM 134 N LEU A 10 -0.334 -6.896 -0.197 1.00 0.36 N ATOM 135 CA LEU A 10 0.323 -5.585 -0.162 1.00 0.35 C ATOM 136 C LEU A 10 1.848 -5.756 -0.214 1.00 0.33 C ATOM 137 O LEU A 10 2.540 -5.032 -0.926 1.00 0.36 O ATOM 138 CB LEU A 10 -0.102 -4.811 1.107 1.00 0.37 C ATOM 139 CG LEU A 10 0.473 -3.388 1.284 1.00 0.41 C ATOM 140 CD1 LEU A 10 0.101 -2.500 0.110 1.00 0.51 C ATOM 141 CD2 LEU A 10 -0.033 -2.768 2.582 1.00 0.48 C ATOM 0 H LEU A 10 -0.898 -7.101 0.628 1.00 0.36 H new ATOM 0 HA LEU A 10 0.014 -5.009 -1.034 1.00 0.35 H new ATOM 0 HB2 LEU A 10 -1.190 -4.740 1.113 1.00 0.37 H new ATOM 0 HB3 LEU A 10 0.184 -5.403 1.977 1.00 0.37 H new ATOM 0 HG LEU A 10 1.559 -3.469 1.326 1.00 0.41 H new ATOM 0 HD11 LEU A 10 0.518 -1.504 0.260 1.00 0.51 H new ATOM 0 HD12 LEU A 10 0.501 -2.926 -0.810 1.00 0.51 H new ATOM 0 HD13 LEU A 10 -0.984 -2.431 0.036 1.00 0.51 H new ATOM 0 HD21 LEU A 10 0.381 -1.766 2.692 1.00 0.48 H new ATOM 0 HD22 LEU A 10 -1.121 -2.710 2.558 1.00 0.48 H new ATOM 0 HD23 LEU A 10 0.279 -3.384 3.425 1.00 0.48 H new ATOM 153 N ARG A 11 2.342 -6.747 0.525 1.00 0.33 N ATOM 154 CA ARG A 11 3.753 -7.100 0.578 1.00 0.37 C ATOM 155 C ARG A 11 4.266 -7.402 -0.836 1.00 0.39 C ATOM 156 O ARG A 11 5.293 -6.898 -1.254 1.00 0.45 O ATOM 157 CB ARG A 11 3.920 -8.343 1.473 1.00 0.45 C ATOM 158 CG ARG A 11 5.352 -8.844 1.637 1.00 0.72 C ATOM 159 CD ARG A 11 5.392 -10.190 2.381 1.00 0.63 C ATOM 160 NE ARG A 11 4.949 -10.107 3.801 1.00 1.12 N ATOM 161 CZ ARG A 11 4.032 -10.924 4.389 1.00 1.36 C ATOM 162 NH1 ARG A 11 3.299 -11.772 3.644 1.00 1.47 N ATOM 163 NH2 ARG A 11 3.855 -10.881 5.704 1.00 2.27 N ATOM 0 H ARG A 11 1.757 -7.338 1.116 1.00 0.33 H new ATOM 0 HA ARG A 11 4.327 -6.270 0.989 1.00 0.37 H new ATOM 0 HB2 ARG A 11 3.517 -8.116 2.460 1.00 0.45 H new ATOM 0 HB3 ARG A 11 3.316 -9.151 1.060 1.00 0.45 H new ATOM 0 HG2 ARG A 11 5.815 -8.954 0.657 1.00 0.72 H new ATOM 0 HG3 ARG A 11 5.937 -8.106 2.185 1.00 0.72 H new ATOM 0 HD2 ARG A 11 4.759 -10.904 1.854 1.00 0.63 H new ATOM 0 HD3 ARG A 11 6.409 -10.581 2.350 1.00 0.63 H new ATOM 0 HE ARG A 11 5.367 -9.379 4.380 1.00 1.12 H new ATOM 0 HH11 ARG A 11 3.429 -11.805 2.633 1.00 1.47 H new ATOM 0 HH12 ARG A 11 2.614 -12.381 4.091 1.00 1.47 H new ATOM 0 HH21 ARG A 11 4.405 -10.237 6.272 1.00 2.27 H new ATOM 0 HH22 ARG A 11 3.169 -11.492 6.146 1.00 2.27 H new ATOM 177 N ARG A 12 3.497 -8.196 -1.573 1.00 0.40 N ATOM 178 CA ARG A 12 3.862 -8.601 -2.929 1.00 0.48 C ATOM 179 C ARG A 12 3.878 -7.404 -3.875 1.00 0.47 C ATOM 180 O ARG A 12 4.860 -7.171 -4.581 1.00 0.50 O ATOM 181 CB ARG A 12 2.905 -9.698 -3.448 1.00 0.56 C ATOM 182 CG ARG A 12 2.966 -10.998 -2.646 1.00 0.94 C ATOM 183 CD ARG A 12 1.882 -12.006 -3.051 1.00 1.18 C ATOM 184 NE ARG A 12 2.032 -12.495 -4.428 1.00 1.76 N ATOM 185 CZ ARG A 12 1.460 -13.616 -4.920 1.00 2.29 C ATOM 186 NH1 ARG A 12 0.604 -14.316 -4.180 1.00 2.31 N ATOM 187 NH2 ARG A 12 1.707 -13.998 -6.170 1.00 3.30 N ATOM 0 H ARG A 12 2.607 -8.576 -1.251 1.00 0.40 H new ATOM 0 HA ARG A 12 4.870 -9.014 -2.896 1.00 0.48 H new ATOM 0 HB2 ARG A 12 1.884 -9.316 -3.427 1.00 0.56 H new ATOM 0 HB3 ARG A 12 3.144 -9.913 -4.490 1.00 0.56 H new ATOM 0 HG2 ARG A 12 3.947 -11.455 -2.780 1.00 0.94 H new ATOM 0 HG3 ARG A 12 2.863 -10.769 -1.585 1.00 0.94 H new ATOM 0 HD2 ARG A 12 1.909 -12.854 -2.366 1.00 1.18 H new ATOM 0 HD3 ARG A 12 0.903 -11.540 -2.942 1.00 1.18 H new ATOM 0 HE ARG A 12 2.613 -11.946 -5.062 1.00 1.76 H new ATOM 0 HH11 ARG A 12 0.376 -14.007 -3.235 1.00 2.31 H new ATOM 0 HH12 ARG A 12 0.176 -15.161 -4.558 1.00 2.31 H new ATOM 0 HH21 ARG A 12 2.329 -13.444 -6.759 1.00 3.30 H new ATOM 0 HH22 ARG A 12 1.274 -14.845 -6.540 1.00 3.30 H new ATOM 201 N ALA A 13 2.807 -6.626 -3.845 1.00 0.47 N ATOM 202 CA ALA A 13 2.648 -5.463 -4.725 1.00 0.53 C ATOM 203 C ALA A 13 3.722 -4.407 -4.476 1.00 0.46 C ATOM 204 O ALA A 13 4.165 -3.730 -5.408 1.00 0.48 O ATOM 205 CB ALA A 13 1.271 -4.857 -4.540 1.00 0.63 C ATOM 0 H ALA A 13 2.021 -6.777 -3.213 1.00 0.47 H new ATOM 0 HA ALA A 13 2.760 -5.810 -5.752 1.00 0.53 H new ATOM 0 HB1 ALA A 13 1.162 -3.994 -5.197 1.00 0.63 H new ATOM 0 HB2 ALA A 13 0.511 -5.599 -4.786 1.00 0.63 H new ATOM 0 HB3 ALA A 13 1.148 -4.542 -3.504 1.00 0.63 H new ATOM 211 N LEU A 14 4.137 -4.291 -3.231 1.00 0.42 N ATOM 212 CA LEU A 14 5.150 -3.336 -2.823 1.00 0.39 C ATOM 213 C LEU A 14 6.509 -3.705 -3.453 1.00 0.40 C ATOM 214 O LEU A 14 7.212 -2.851 -4.002 1.00 0.46 O ATOM 215 CB LEU A 14 5.236 -3.327 -1.287 1.00 0.45 C ATOM 216 CG LEU A 14 5.939 -2.148 -0.627 1.00 0.54 C ATOM 217 CD1 LEU A 14 5.171 -0.865 -0.901 1.00 0.44 C ATOM 218 CD2 LEU A 14 6.056 -2.384 0.866 1.00 1.00 C ATOM 0 H LEU A 14 3.778 -4.862 -2.466 1.00 0.42 H new ATOM 0 HA LEU A 14 4.883 -2.337 -3.169 1.00 0.39 H new ATOM 0 HB2 LEU A 14 4.221 -3.376 -0.893 1.00 0.45 H new ATOM 0 HB3 LEU A 14 5.744 -4.239 -0.974 1.00 0.45 H new ATOM 0 HG LEU A 14 6.941 -2.051 -1.045 1.00 0.54 H new ATOM 0 HD11 LEU A 14 5.681 -0.027 -0.425 1.00 0.44 H new ATOM 0 HD12 LEU A 14 5.119 -0.695 -1.976 1.00 0.44 H new ATOM 0 HD13 LEU A 14 4.162 -0.952 -0.498 1.00 0.44 H new ATOM 0 HD21 LEU A 14 6.560 -1.536 1.330 1.00 1.00 H new ATOM 0 HD22 LEU A 14 5.061 -2.494 1.296 1.00 1.00 H new ATOM 0 HD23 LEU A 14 6.632 -3.292 1.047 1.00 1.00 H new ATOM 230 N VAL A 15 6.837 -4.984 -3.415 1.00 0.44 N ATOM 231 CA VAL A 15 8.076 -5.501 -4.012 1.00 0.53 C ATOM 232 C VAL A 15 8.034 -5.387 -5.537 1.00 0.55 C ATOM 233 O VAL A 15 8.985 -4.885 -6.159 1.00 0.64 O ATOM 234 CB VAL A 15 8.309 -6.985 -3.618 1.00 0.61 C ATOM 235 CG1 VAL A 15 9.582 -7.532 -4.265 1.00 0.74 C ATOM 236 CG2 VAL A 15 8.396 -7.121 -2.110 1.00 0.64 C ATOM 0 H VAL A 15 6.260 -5.700 -2.973 1.00 0.44 H new ATOM 0 HA VAL A 15 8.898 -4.897 -3.628 1.00 0.53 H new ATOM 0 HB VAL A 15 7.462 -7.567 -3.982 1.00 0.61 H new ATOM 0 HG11 VAL A 15 9.721 -8.573 -3.972 1.00 0.74 H new ATOM 0 HG12 VAL A 15 9.495 -7.469 -5.350 1.00 0.74 H new ATOM 0 HG13 VAL A 15 10.439 -6.945 -3.935 1.00 0.74 H new ATOM 0 HG21 VAL A 15 8.559 -8.166 -1.848 1.00 0.64 H new ATOM 0 HG22 VAL A 15 9.225 -6.520 -1.738 1.00 0.64 H new ATOM 0 HG23 VAL A 15 7.466 -6.775 -1.659 1.00 0.64 H new ATOM 246 N GLU A 16 6.932 -5.847 -6.126 1.00 0.59 N ATOM 247 CA GLU A 16 6.724 -5.832 -7.582 1.00 0.69 C ATOM 248 C GLU A 16 6.866 -4.432 -8.204 1.00 0.65 C ATOM 249 O GLU A 16 7.195 -4.308 -9.377 1.00 0.77 O ATOM 250 CB GLU A 16 5.350 -6.421 -7.921 1.00 0.89 C ATOM 251 CG GLU A 16 5.271 -7.929 -7.768 1.00 1.11 C ATOM 252 CD GLU A 16 5.921 -8.653 -8.919 1.00 1.54 C ATOM 253 OE1 GLU A 16 7.152 -8.829 -8.935 1.00 1.95 O ATOM 254 OE2 GLU A 16 5.180 -9.069 -9.845 1.00 2.18 O ATOM 0 H GLU A 16 6.149 -6.245 -5.607 1.00 0.59 H new ATOM 0 HA GLU A 16 7.513 -6.446 -8.016 1.00 0.69 H new ATOM 0 HB2 GLU A 16 4.600 -5.961 -7.278 1.00 0.89 H new ATOM 0 HB3 GLU A 16 5.096 -6.156 -8.947 1.00 0.89 H new ATOM 0 HG2 GLU A 16 5.754 -8.224 -6.836 1.00 1.11 H new ATOM 0 HG3 GLU A 16 4.226 -8.231 -7.695 1.00 1.11 H new ATOM 261 N SER A 17 6.617 -3.393 -7.432 1.00 0.59 N ATOM 262 CA SER A 17 6.743 -2.049 -7.951 1.00 0.64 C ATOM 263 C SER A 17 8.178 -1.495 -7.821 1.00 0.74 C ATOM 264 O SER A 17 8.570 -0.557 -8.534 1.00 1.04 O ATOM 265 CB SER A 17 5.666 -1.125 -7.359 1.00 0.68 C ATOM 266 OG SER A 17 5.450 -1.381 -5.974 1.00 1.27 O ATOM 0 H SER A 17 6.330 -3.453 -6.455 1.00 0.59 H new ATOM 0 HA SER A 17 6.559 -2.089 -9.025 1.00 0.64 H new ATOM 0 HB2 SER A 17 5.965 -0.086 -7.494 1.00 0.68 H new ATOM 0 HB3 SER A 17 4.732 -1.261 -7.904 1.00 0.68 H new ATOM 0 HG SER A 17 4.943 -2.214 -5.870 1.00 1.27 H new ATOM 272 N ALA A 18 8.977 -2.112 -6.956 1.00 0.70 N ATOM 273 CA ALA A 18 10.343 -1.677 -6.759 1.00 0.87 C ATOM 274 C ALA A 18 11.240 -2.204 -7.889 1.00 1.05 C ATOM 275 O ALA A 18 12.090 -1.481 -8.427 1.00 1.57 O ATOM 276 CB ALA A 18 10.854 -2.110 -5.387 1.00 0.95 C ATOM 0 H ALA A 18 8.698 -2.910 -6.386 1.00 0.70 H new ATOM 0 HA ALA A 18 10.373 -0.588 -6.790 1.00 0.87 H new ATOM 0 HB1 ALA A 18 11.883 -1.773 -5.259 1.00 0.95 H new ATOM 0 HB2 ALA A 18 10.229 -1.670 -4.610 1.00 0.95 H new ATOM 0 HB3 ALA A 18 10.816 -3.197 -5.311 1.00 0.95 H new ATOM 400 N ASP A 29 7.365 -8.847 8.392 1.00 0.90 N ATOM 401 CA ASP A 29 6.598 -7.713 8.891 1.00 0.83 C ATOM 402 C ASP A 29 7.188 -6.417 8.409 1.00 0.79 C ATOM 403 O ASP A 29 8.386 -6.346 8.129 1.00 1.33 O ATOM 404 CB ASP A 29 6.506 -7.728 10.420 1.00 1.20 C ATOM 405 CG ASP A 29 5.716 -8.906 10.935 1.00 1.95 C ATOM 406 OD1 ASP A 29 4.459 -8.845 10.949 1.00 2.44 O ATOM 407 OD2 ASP A 29 6.331 -9.916 11.341 1.00 2.68 O ATOM 0 HA ASP A 29 5.586 -7.800 8.496 1.00 0.83 H new ATOM 0 HB2 ASP A 29 7.511 -7.755 10.842 1.00 1.20 H new ATOM 0 HB3 ASP A 29 6.041 -6.804 10.763 1.00 1.20 H new ATOM 412 N PHE A 30 6.340 -5.399 8.297 1.00 0.42 N ATOM 413 CA PHE A 30 6.714 -4.105 7.781 1.00 0.36 C ATOM 414 C PHE A 30 5.598 -3.085 8.044 1.00 0.32 C ATOM 415 O PHE A 30 5.601 -1.999 7.504 1.00 0.35 O ATOM 416 CB PHE A 30 7.015 -4.209 6.263 1.00 0.37 C ATOM 417 CG PHE A 30 5.825 -4.647 5.413 1.00 0.35 C ATOM 418 CD1 PHE A 30 5.413 -5.970 5.399 1.00 0.40 C ATOM 419 CD2 PHE A 30 5.129 -3.732 4.625 1.00 0.38 C ATOM 420 CE1 PHE A 30 4.338 -6.371 4.624 1.00 0.46 C ATOM 421 CE2 PHE A 30 4.058 -4.128 3.852 1.00 0.42 C ATOM 422 CZ PHE A 30 3.646 -5.446 3.870 1.00 0.46 C ATOM 0 H PHE A 30 5.359 -5.461 8.569 1.00 0.42 H new ATOM 0 HA PHE A 30 7.615 -3.765 8.292 1.00 0.36 H new ATOM 0 HB2 PHE A 30 7.363 -3.240 5.907 1.00 0.37 H new ATOM 0 HB3 PHE A 30 7.832 -4.915 6.114 1.00 0.37 H new ATOM 0 HD1 PHE A 30 5.937 -6.698 6.000 1.00 0.40 H new ATOM 0 HD2 PHE A 30 5.434 -2.696 4.620 1.00 0.38 H new ATOM 0 HE1 PHE A 30 4.041 -7.409 4.610 1.00 0.46 H new ATOM 0 HE2 PHE A 30 3.542 -3.409 3.233 1.00 0.42 H new ATOM 0 HZ PHE A 30 2.784 -5.752 3.295 1.00 0.46 H new ATOM 432 N LEU A 31 4.680 -3.430 8.919 1.00 0.35 N ATOM 433 CA LEU A 31 3.522 -2.576 9.176 1.00 0.36 C ATOM 434 C LEU A 31 3.851 -1.475 10.175 1.00 0.39 C ATOM 435 O LEU A 31 3.258 -0.403 10.150 1.00 0.46 O ATOM 436 CB LEU A 31 2.345 -3.427 9.664 1.00 0.40 C ATOM 437 CG LEU A 31 1.843 -4.487 8.668 1.00 0.39 C ATOM 438 CD1 LEU A 31 0.668 -5.256 9.243 1.00 0.45 C ATOM 439 CD2 LEU A 31 1.467 -3.843 7.333 1.00 0.38 C ATOM 0 H LEU A 31 4.704 -4.290 9.467 1.00 0.35 H new ATOM 0 HA LEU A 31 3.241 -2.089 8.242 1.00 0.36 H new ATOM 0 HB2 LEU A 31 2.638 -3.929 10.586 1.00 0.40 H new ATOM 0 HB3 LEU A 31 1.516 -2.764 9.912 1.00 0.40 H new ATOM 0 HG LEU A 31 2.654 -5.192 8.489 1.00 0.39 H new ATOM 0 HD11 LEU A 31 0.331 -5.999 8.520 1.00 0.45 H new ATOM 0 HD12 LEU A 31 0.975 -5.756 10.162 1.00 0.45 H new ATOM 0 HD13 LEU A 31 -0.147 -4.566 9.460 1.00 0.45 H new ATOM 0 HD21 LEU A 31 1.115 -4.611 6.645 1.00 0.38 H new ATOM 0 HD22 LEU A 31 0.677 -3.109 7.493 1.00 0.38 H new ATOM 0 HD23 LEU A 31 2.341 -3.349 6.909 1.00 0.38 H new ATOM 451 N ASP A 32 4.772 -1.768 11.058 1.00 0.43 N ATOM 452 CA ASP A 32 5.282 -0.823 12.051 1.00 0.52 C ATOM 453 C ASP A 32 6.537 -0.150 11.508 1.00 0.50 C ATOM 454 O ASP A 32 7.187 0.673 12.164 1.00 0.66 O ATOM 455 CB ASP A 32 5.550 -1.553 13.391 1.00 0.69 C ATOM 456 CG ASP A 32 6.409 -2.805 13.241 1.00 1.46 C ATOM 457 OD1 ASP A 32 6.009 -3.710 12.453 1.00 1.95 O ATOM 458 OD2 ASP A 32 7.455 -2.914 13.901 1.00 2.20 O ATOM 0 H ASP A 32 5.206 -2.689 11.118 1.00 0.43 H new ATOM 0 HA ASP A 32 4.540 -0.049 12.246 1.00 0.52 H new ATOM 0 HB2 ASP A 32 6.042 -0.865 14.078 1.00 0.69 H new ATOM 0 HB3 ASP A 32 4.597 -1.828 13.843 1.00 0.69 H new ATOM 463 N LEU A 33 6.830 -0.495 10.286 1.00 0.42 N ATOM 464 CA LEU A 33 7.908 0.062 9.542 1.00 0.50 C ATOM 465 C LEU A 33 7.377 1.252 8.759 1.00 0.45 C ATOM 466 O LEU A 33 6.264 1.214 8.262 1.00 0.57 O ATOM 467 CB LEU A 33 8.496 -1.018 8.613 1.00 0.66 C ATOM 468 CG LEU A 33 9.291 -2.151 9.278 1.00 0.80 C ATOM 469 CD1 LEU A 33 9.919 -3.042 8.226 1.00 1.52 C ATOM 470 CD2 LEU A 33 10.359 -1.606 10.199 1.00 1.18 C ATOM 0 H LEU A 33 6.302 -1.197 9.768 1.00 0.42 H new ATOM 0 HA LEU A 33 8.708 0.403 10.199 1.00 0.50 H new ATOM 0 HB2 LEU A 33 7.676 -1.464 8.051 1.00 0.66 H new ATOM 0 HB3 LEU A 33 9.147 -0.526 7.891 1.00 0.66 H new ATOM 0 HG LEU A 33 8.595 -2.740 9.876 1.00 0.80 H new ATOM 0 HD11 LEU A 33 10.479 -3.840 8.713 1.00 1.52 H new ATOM 0 HD12 LEU A 33 9.137 -3.475 7.602 1.00 1.52 H new ATOM 0 HD13 LEU A 33 10.593 -2.452 7.605 1.00 1.52 H new ATOM 0 HD21 LEU A 33 10.904 -2.433 10.654 1.00 1.18 H new ATOM 0 HD22 LEU A 33 11.051 -0.987 9.628 1.00 1.18 H new ATOM 0 HD23 LEU A 33 9.894 -1.005 10.980 1.00 1.18 H new ATOM 482 N ARG A 34 8.149 2.311 8.675 1.00 0.43 N ATOM 483 CA ARG A 34 7.700 3.530 8.006 1.00 0.42 C ATOM 484 C ARG A 34 8.165 3.561 6.556 1.00 0.36 C ATOM 485 O ARG A 34 9.246 3.054 6.254 1.00 0.45 O ATOM 486 CB ARG A 34 8.250 4.744 8.729 1.00 0.58 C ATOM 487 CG ARG A 34 7.740 4.944 10.154 1.00 0.77 C ATOM 488 CD ARG A 34 8.340 6.220 10.738 1.00 1.08 C ATOM 489 NE ARG A 34 8.111 7.347 9.835 1.00 1.82 N ATOM 490 CZ ARG A 34 9.000 8.275 9.507 1.00 2.41 C ATOM 491 NH1 ARG A 34 10.156 8.354 10.160 1.00 2.43 N ATOM 492 NH2 ARG A 34 8.712 9.152 8.538 1.00 3.44 N ATOM 0 H ARG A 34 9.093 2.362 9.059 1.00 0.43 H new ATOM 0 HA ARG A 34 6.610 3.545 8.025 1.00 0.42 H new ATOM 0 HB2 ARG A 34 9.337 4.667 8.758 1.00 0.58 H new ATOM 0 HB3 ARG A 34 8.008 5.633 8.147 1.00 0.58 H new ATOM 0 HG2 ARG A 34 6.652 5.008 10.156 1.00 0.77 H new ATOM 0 HG3 ARG A 34 8.010 4.087 10.771 1.00 0.77 H new ATOM 0 HD2 ARG A 34 7.894 6.428 11.711 1.00 1.08 H new ATOM 0 HD3 ARG A 34 9.410 6.086 10.900 1.00 1.08 H new ATOM 0 HE ARG A 34 7.183 7.427 9.419 1.00 1.82 H new ATOM 0 HH11 ARG A 34 10.361 7.700 10.915 1.00 2.43 H new ATOM 0 HH12 ARG A 34 10.838 9.069 9.905 1.00 2.43 H new ATOM 0 HH21 ARG A 34 7.814 9.104 8.057 1.00 3.44 H new ATOM 0 HH22 ARG A 34 9.391 9.868 8.280 1.00 3.44 H new ATOM 506 N PHE A 35 7.376 4.198 5.660 1.00 0.33 N ATOM 507 CA PHE A 35 7.740 4.272 4.222 1.00 0.33 C ATOM 508 C PHE A 35 9.110 4.936 4.018 1.00 0.38 C ATOM 509 O PHE A 35 9.945 4.438 3.260 1.00 0.43 O ATOM 510 CB PHE A 35 6.681 5.006 3.368 1.00 0.34 C ATOM 511 CG PHE A 35 5.332 4.335 3.331 1.00 0.36 C ATOM 512 CD1 PHE A 35 5.193 3.052 2.830 1.00 0.43 C ATOM 513 CD2 PHE A 35 4.195 4.985 3.806 1.00 0.40 C ATOM 514 CE1 PHE A 35 3.962 2.435 2.792 1.00 0.50 C ATOM 515 CE2 PHE A 35 2.959 4.361 3.764 1.00 0.48 C ATOM 516 CZ PHE A 35 2.839 3.104 3.268 1.00 0.51 C ATOM 0 H PHE A 35 6.499 4.661 5.899 1.00 0.33 H new ATOM 0 HA PHE A 35 7.786 3.238 3.881 1.00 0.33 H new ATOM 0 HB2 PHE A 35 6.559 6.018 3.755 1.00 0.34 H new ATOM 0 HB3 PHE A 35 7.055 5.098 2.348 1.00 0.34 H new ATOM 0 HD1 PHE A 35 6.063 2.527 2.463 1.00 0.43 H new ATOM 0 HD2 PHE A 35 4.278 5.983 4.210 1.00 0.40 H new ATOM 0 HE1 PHE A 35 3.869 1.435 2.394 1.00 0.50 H new ATOM 0 HE2 PHE A 35 2.084 4.879 4.129 1.00 0.48 H new ATOM 0 HZ PHE A 35 1.872 2.623 3.243 1.00 0.51 H new ATOM 526 N GLU A 36 9.340 6.042 4.726 1.00 0.48 N ATOM 527 CA GLU A 36 10.612 6.777 4.655 1.00 0.62 C ATOM 528 C GLU A 36 11.774 5.894 5.124 1.00 0.63 C ATOM 529 O GLU A 36 12.877 5.954 4.594 1.00 0.72 O ATOM 530 CB GLU A 36 10.530 8.065 5.517 1.00 0.83 C ATOM 531 CG GLU A 36 11.850 8.847 5.635 1.00 1.40 C ATOM 532 CD GLU A 36 11.725 10.111 6.475 1.00 1.83 C ATOM 533 OE1 GLU A 36 11.082 10.071 7.542 1.00 2.73 O ATOM 534 OE2 GLU A 36 12.260 11.168 6.075 1.00 1.89 O ATOM 0 H GLU A 36 8.658 6.455 5.362 1.00 0.48 H new ATOM 0 HA GLU A 36 10.794 7.057 3.618 1.00 0.62 H new ATOM 0 HB2 GLU A 36 9.771 8.722 5.092 1.00 0.83 H new ATOM 0 HB3 GLU A 36 10.193 7.795 6.518 1.00 0.83 H new ATOM 0 HG2 GLU A 36 12.610 8.200 6.074 1.00 1.40 H new ATOM 0 HG3 GLU A 36 12.197 9.115 4.637 1.00 1.40 H new ATOM 541 N ASP A 37 11.485 5.033 6.066 1.00 0.61 N ATOM 542 CA ASP A 37 12.502 4.189 6.677 1.00 0.70 C ATOM 543 C ASP A 37 12.850 3.024 5.754 1.00 0.69 C ATOM 544 O ASP A 37 14.007 2.661 5.609 1.00 0.82 O ATOM 545 CB ASP A 37 12.005 3.700 8.042 1.00 0.77 C ATOM 546 CG ASP A 37 13.039 2.935 8.834 1.00 0.98 C ATOM 547 OD1 ASP A 37 13.891 3.586 9.472 1.00 1.27 O ATOM 548 OD2 ASP A 37 12.979 1.695 8.879 1.00 1.36 O ATOM 0 H ASP A 37 10.545 4.891 6.436 1.00 0.61 H new ATOM 0 HA ASP A 37 13.414 4.766 6.830 1.00 0.70 H new ATOM 0 HB2 ASP A 37 11.677 4.559 8.627 1.00 0.77 H new ATOM 0 HB3 ASP A 37 11.133 3.064 7.893 1.00 0.77 H new ATOM 553 N ILE A 38 11.840 2.492 5.071 1.00 0.59 N ATOM 554 CA ILE A 38 12.039 1.372 4.153 1.00 0.63 C ATOM 555 C ILE A 38 12.333 1.815 2.701 1.00 0.63 C ATOM 556 O ILE A 38 12.289 1.010 1.770 1.00 0.66 O ATOM 557 CB ILE A 38 10.878 0.334 4.190 1.00 0.59 C ATOM 558 CG1 ILE A 38 9.527 0.996 3.847 1.00 0.48 C ATOM 559 CG2 ILE A 38 10.811 -0.341 5.564 1.00 0.67 C ATOM 560 CD1 ILE A 38 8.354 0.032 3.825 1.00 0.54 C ATOM 0 H ILE A 38 10.875 2.818 5.135 1.00 0.59 H new ATOM 0 HA ILE A 38 12.933 0.872 4.525 1.00 0.63 H new ATOM 0 HB ILE A 38 11.080 -0.426 3.435 1.00 0.59 H new ATOM 0 HG12 ILE A 38 9.324 1.782 4.574 1.00 0.48 H new ATOM 0 HG13 ILE A 38 9.607 1.477 2.872 1.00 0.48 H new ATOM 0 HG21 ILE A 38 9.995 -1.064 5.575 1.00 0.67 H new ATOM 0 HG22 ILE A 38 11.752 -0.853 5.764 1.00 0.67 H new ATOM 0 HG23 ILE A 38 10.638 0.413 6.332 1.00 0.67 H new ATOM 0 HD11 ILE A 38 7.442 0.574 3.576 1.00 0.54 H new ATOM 0 HD12 ILE A 38 8.532 -0.741 3.077 1.00 0.54 H new ATOM 0 HD13 ILE A 38 8.245 -0.431 4.806 1.00 0.54 H new ATOM 572 N GLY A 39 12.684 3.081 2.537 1.00 0.63 N ATOM 573 CA GLY A 39 13.101 3.596 1.241 1.00 0.68 C ATOM 574 C GLY A 39 11.986 3.769 0.208 1.00 0.59 C ATOM 575 O GLY A 39 12.146 3.394 -0.964 1.00 0.70 O ATOM 0 H GLY A 39 12.689 3.773 3.287 1.00 0.63 H new ATOM 0 HA2 GLY A 39 13.584 4.561 1.392 1.00 0.68 H new ATOM 0 HA3 GLY A 39 13.853 2.924 0.828 1.00 0.68 H new ATOM 579 N TYR A 40 10.872 4.297 0.620 1.00 0.45 N ATOM 580 CA TYR A 40 9.790 4.618 -0.286 1.00 0.45 C ATOM 581 C TYR A 40 9.452 6.080 -0.160 1.00 0.47 C ATOM 582 O TYR A 40 9.421 6.610 0.953 1.00 0.62 O ATOM 583 CB TYR A 40 8.547 3.772 -0.019 1.00 0.42 C ATOM 584 CG TYR A 40 8.627 2.357 -0.547 1.00 0.46 C ATOM 585 CD1 TYR A 40 9.365 1.380 0.110 1.00 0.53 C ATOM 586 CD2 TYR A 40 7.965 2.001 -1.711 1.00 0.57 C ATOM 587 CE1 TYR A 40 9.440 0.091 -0.371 1.00 0.60 C ATOM 588 CE2 TYR A 40 8.028 0.714 -2.207 1.00 0.68 C ATOM 589 CZ TYR A 40 8.770 -0.246 -1.528 1.00 0.67 C ATOM 590 OH TYR A 40 8.842 -1.539 -2.002 1.00 0.78 O ATOM 0 H TYR A 40 10.679 4.521 1.596 1.00 0.45 H new ATOM 0 HA TYR A 40 10.123 4.394 -1.299 1.00 0.45 H new ATOM 0 HB2 TYR A 40 8.371 3.736 1.056 1.00 0.42 H new ATOM 0 HB3 TYR A 40 7.684 4.265 -0.466 1.00 0.42 H new ATOM 0 HD1 TYR A 40 9.891 1.637 1.017 1.00 0.53 H new ATOM 0 HD2 TYR A 40 7.388 2.745 -2.241 1.00 0.57 H new ATOM 0 HE1 TYR A 40 10.021 -0.652 0.156 1.00 0.60 H new ATOM 0 HE2 TYR A 40 7.505 0.455 -3.116 1.00 0.68 H new ATOM 0 HH TYR A 40 8.168 -1.669 -2.701 1.00 0.78 H new ATOM 600 N ASP A 41 9.222 6.736 -1.284 1.00 0.55 N ATOM 601 CA ASP A 41 8.896 8.151 -1.256 1.00 0.69 C ATOM 602 C ASP A 41 7.397 8.360 -1.430 1.00 0.85 C ATOM 603 O ASP A 41 6.606 8.131 -0.526 1.00 1.62 O ATOM 604 CB ASP A 41 9.632 8.962 -2.354 1.00 0.82 C ATOM 605 CG ASP A 41 11.133 8.804 -2.372 1.00 0.99 C ATOM 606 OD1 ASP A 41 11.841 9.504 -1.613 1.00 1.27 O ATOM 607 OD2 ASP A 41 11.626 7.997 -3.191 1.00 1.32 O ATOM 0 H ASP A 41 9.254 6.319 -2.214 1.00 0.55 H new ATOM 0 HA ASP A 41 9.226 8.514 -0.283 1.00 0.69 H new ATOM 0 HB2 ASP A 41 9.240 8.665 -3.327 1.00 0.82 H new ATOM 0 HB3 ASP A 41 9.395 10.018 -2.223 1.00 0.82 H new ATOM 612 N SER A 42 7.018 8.729 -2.628 1.00 0.50 N ATOM 613 CA SER A 42 5.652 9.047 -2.955 1.00 0.53 C ATOM 614 C SER A 42 5.316 8.532 -4.347 1.00 0.51 C ATOM 615 O SER A 42 4.365 7.798 -4.528 1.00 0.48 O ATOM 616 CB SER A 42 5.516 10.546 -2.937 1.00 0.69 C ATOM 617 OG SER A 42 6.593 11.060 -3.790 1.00 1.05 O ATOM 0 H SER A 42 7.661 8.818 -3.415 1.00 0.50 H new ATOM 0 HA SER A 42 4.975 8.583 -2.237 1.00 0.53 H new ATOM 0 HB2 SER A 42 4.540 10.854 -3.313 1.00 0.69 H new ATOM 0 HB3 SER A 42 5.604 10.934 -1.922 1.00 0.69 H new ATOM 0 HG SER A 42 6.551 12.039 -3.816 1.00 1.05 H new ATOM 622 N LEU A 43 6.134 8.941 -5.328 1.00 0.57 N ATOM 623 CA LEU A 43 5.971 8.574 -6.741 1.00 0.62 C ATOM 624 C LEU A 43 5.876 7.074 -6.911 1.00 0.56 C ATOM 625 O LEU A 43 4.941 6.573 -7.521 1.00 0.58 O ATOM 626 CB LEU A 43 7.138 9.129 -7.560 1.00 0.74 C ATOM 627 CG LEU A 43 7.077 8.915 -9.075 1.00 0.86 C ATOM 628 CD1 LEU A 43 5.879 9.631 -9.676 1.00 1.40 C ATOM 629 CD2 LEU A 43 8.363 9.377 -9.737 1.00 1.19 C ATOM 0 H LEU A 43 6.939 9.545 -5.159 1.00 0.57 H new ATOM 0 HA LEU A 43 5.039 9.010 -7.102 1.00 0.62 H new ATOM 0 HB2 LEU A 43 7.208 10.200 -7.370 1.00 0.74 H new ATOM 0 HB3 LEU A 43 8.059 8.678 -7.189 1.00 0.74 H new ATOM 0 HG LEU A 43 6.962 7.847 -9.259 1.00 0.86 H new ATOM 0 HD11 LEU A 43 5.858 9.464 -10.753 1.00 1.40 H new ATOM 0 HD12 LEU A 43 4.963 9.244 -9.231 1.00 1.40 H new ATOM 0 HD13 LEU A 43 5.956 10.700 -9.476 1.00 1.40 H new ATOM 0 HD21 LEU A 43 8.297 9.215 -10.813 1.00 1.19 H new ATOM 0 HD22 LEU A 43 8.514 10.438 -9.538 1.00 1.19 H new ATOM 0 HD23 LEU A 43 9.203 8.810 -9.336 1.00 1.19 H new ATOM 641 N ALA A 44 6.837 6.365 -6.324 1.00 0.54 N ATOM 642 CA ALA A 44 6.854 4.908 -6.372 1.00 0.54 C ATOM 643 C ALA A 44 5.661 4.337 -5.628 1.00 0.47 C ATOM 644 O ALA A 44 5.071 3.362 -6.045 1.00 0.53 O ATOM 645 CB ALA A 44 8.151 4.362 -5.774 1.00 0.59 C ATOM 0 H ALA A 44 7.615 6.778 -5.809 1.00 0.54 H new ATOM 0 HA ALA A 44 6.796 4.604 -7.417 1.00 0.54 H new ATOM 0 HB1 ALA A 44 8.143 3.273 -5.820 1.00 0.59 H new ATOM 0 HB2 ALA A 44 9.001 4.743 -6.340 1.00 0.59 H new ATOM 0 HB3 ALA A 44 8.235 4.681 -4.735 1.00 0.59 H new ATOM 651 N LEU A 45 5.278 5.021 -4.570 1.00 0.42 N ATOM 652 CA LEU A 45 4.241 4.559 -3.679 1.00 0.38 C ATOM 653 C LEU A 45 2.868 4.664 -4.366 1.00 0.37 C ATOM 654 O LEU A 45 2.038 3.758 -4.242 1.00 0.39 O ATOM 655 CB LEU A 45 4.321 5.374 -2.359 1.00 0.35 C ATOM 656 CG LEU A 45 3.583 4.848 -1.120 1.00 0.37 C ATOM 657 CD1 LEU A 45 4.014 5.627 0.096 1.00 0.38 C ATOM 658 CD2 LEU A 45 2.082 4.951 -1.264 1.00 0.53 C ATOM 0 H LEU A 45 5.682 5.919 -4.305 1.00 0.42 H new ATOM 0 HA LEU A 45 4.382 3.507 -3.432 1.00 0.38 H new ATOM 0 HB2 LEU A 45 5.374 5.476 -2.097 1.00 0.35 H new ATOM 0 HB3 LEU A 45 3.945 6.376 -2.566 1.00 0.35 H new ATOM 0 HG LEU A 45 3.840 3.794 -1.011 1.00 0.37 H new ATOM 0 HD11 LEU A 45 3.488 5.251 0.974 1.00 0.38 H new ATOM 0 HD12 LEU A 45 5.088 5.512 0.240 1.00 0.38 H new ATOM 0 HD13 LEU A 45 3.777 6.682 -0.045 1.00 0.38 H new ATOM 0 HD21 LEU A 45 1.603 4.567 -0.363 1.00 0.53 H new ATOM 0 HD22 LEU A 45 1.801 5.994 -1.408 1.00 0.53 H new ATOM 0 HD23 LEU A 45 1.758 4.366 -2.125 1.00 0.53 H new ATOM 670 N MET A 46 2.633 5.754 -5.103 1.00 0.37 N ATOM 671 CA MET A 46 1.371 5.889 -5.819 1.00 0.40 C ATOM 672 C MET A 46 1.156 4.793 -6.866 1.00 0.35 C ATOM 673 O MET A 46 0.018 4.341 -7.065 1.00 0.36 O ATOM 674 CB MET A 46 1.167 7.280 -6.412 1.00 0.52 C ATOM 675 CG MET A 46 0.934 8.348 -5.359 1.00 0.70 C ATOM 676 SD MET A 46 0.389 9.915 -6.055 1.00 0.96 S ATOM 677 CE MET A 46 -1.117 9.393 -6.881 1.00 2.41 C ATOM 0 H MET A 46 3.282 6.533 -5.215 1.00 0.37 H new ATOM 0 HA MET A 46 0.599 5.755 -5.061 1.00 0.40 H new ATOM 0 HB2 MET A 46 2.042 7.548 -7.005 1.00 0.52 H new ATOM 0 HB3 MET A 46 0.316 7.257 -7.092 1.00 0.52 H new ATOM 0 HG2 MET A 46 0.187 7.993 -4.649 1.00 0.70 H new ATOM 0 HG3 MET A 46 1.856 8.506 -4.800 1.00 0.70 H new ATOM 0 HE1 MET A 46 -1.801 10.238 -6.959 1.00 2.41 H new ATOM 0 HE2 MET A 46 -0.876 9.027 -7.879 1.00 2.41 H new ATOM 0 HE3 MET A 46 -1.590 8.596 -6.307 1.00 2.41 H new ATOM 687 N GLU A 47 2.234 4.342 -7.499 1.00 0.37 N ATOM 688 CA GLU A 47 2.139 3.246 -8.457 1.00 0.39 C ATOM 689 C GLU A 47 1.726 1.954 -7.752 1.00 0.37 C ATOM 690 O GLU A 47 0.912 1.185 -8.269 1.00 0.43 O ATOM 691 CB GLU A 47 3.446 3.057 -9.228 1.00 0.48 C ATOM 692 CG GLU A 47 3.757 4.185 -10.208 1.00 0.68 C ATOM 693 CD GLU A 47 2.743 4.258 -11.340 1.00 1.41 C ATOM 694 OE1 GLU A 47 2.582 3.242 -12.065 1.00 1.84 O ATOM 695 OE2 GLU A 47 2.146 5.338 -11.563 1.00 2.15 O ATOM 0 H GLU A 47 3.175 4.714 -7.368 1.00 0.37 H new ATOM 0 HA GLU A 47 1.369 3.504 -9.184 1.00 0.39 H new ATOM 0 HB2 GLU A 47 4.267 2.971 -8.516 1.00 0.48 H new ATOM 0 HB3 GLU A 47 3.400 2.116 -9.776 1.00 0.48 H new ATOM 0 HG2 GLU A 47 3.771 5.135 -9.673 1.00 0.68 H new ATOM 0 HG3 GLU A 47 4.754 4.038 -10.624 1.00 0.68 H new ATOM 702 N THR A 48 2.286 1.729 -6.569 1.00 0.36 N ATOM 703 CA THR A 48 1.926 0.592 -5.725 1.00 0.39 C ATOM 704 C THR A 48 0.411 0.674 -5.361 1.00 0.35 C ATOM 705 O THR A 48 -0.338 -0.308 -5.497 1.00 0.40 O ATOM 706 CB THR A 48 2.771 0.648 -4.432 1.00 0.43 C ATOM 707 OG1 THR A 48 4.161 0.816 -4.773 1.00 0.51 O ATOM 708 CG2 THR A 48 2.595 -0.622 -3.607 1.00 0.51 C ATOM 0 H THR A 48 3.004 2.330 -6.166 1.00 0.36 H new ATOM 0 HA THR A 48 2.117 -0.341 -6.255 1.00 0.39 H new ATOM 0 HB THR A 48 2.431 1.494 -3.834 1.00 0.43 H new ATOM 0 HG1 THR A 48 4.496 -0.003 -5.195 1.00 0.51 H new ATOM 0 HG21 THR A 48 3.201 -0.556 -2.703 1.00 0.51 H new ATOM 0 HG22 THR A 48 1.546 -0.736 -3.333 1.00 0.51 H new ATOM 0 HG23 THR A 48 2.912 -1.484 -4.194 1.00 0.51 H new ATOM 716 N ALA A 49 -0.018 1.858 -4.920 1.00 0.31 N ATOM 717 CA ALA A 49 -1.412 2.103 -4.532 1.00 0.32 C ATOM 718 C ALA A 49 -2.377 1.840 -5.696 1.00 0.30 C ATOM 719 O ALA A 49 -3.310 1.045 -5.569 1.00 0.32 O ATOM 720 CB ALA A 49 -1.584 3.525 -4.016 1.00 0.38 C ATOM 0 H ALA A 49 0.587 2.673 -4.821 1.00 0.31 H new ATOM 0 HA ALA A 49 -1.656 1.405 -3.731 1.00 0.32 H new ATOM 0 HB1 ALA A 49 -2.624 3.686 -3.734 1.00 0.38 H new ATOM 0 HB2 ALA A 49 -0.944 3.676 -3.146 1.00 0.38 H new ATOM 0 HB3 ALA A 49 -1.306 4.232 -4.798 1.00 0.38 H new ATOM 726 N ALA A 50 -2.098 2.456 -6.839 1.00 0.29 N ATOM 727 CA ALA A 50 -2.940 2.329 -8.034 1.00 0.31 C ATOM 728 C ALA A 50 -2.949 0.903 -8.554 1.00 0.31 C ATOM 729 O ALA A 50 -3.906 0.462 -9.211 1.00 0.35 O ATOM 730 CB ALA A 50 -2.464 3.280 -9.110 1.00 0.39 C ATOM 0 H ALA A 50 -1.285 3.058 -6.969 1.00 0.29 H new ATOM 0 HA ALA A 50 -3.962 2.589 -7.757 1.00 0.31 H new ATOM 0 HB1 ALA A 50 -3.096 3.177 -9.992 1.00 0.39 H new ATOM 0 HB2 ALA A 50 -2.520 4.304 -8.741 1.00 0.39 H new ATOM 0 HB3 ALA A 50 -1.433 3.045 -9.373 1.00 0.39 H new ATOM 736 N ARG A 51 -1.888 0.176 -8.251 1.00 0.32 N ATOM 737 CA ARG A 51 -1.751 -1.201 -8.656 1.00 0.38 C ATOM 738 C ARG A 51 -2.835 -2.032 -7.977 1.00 0.37 C ATOM 739 O ARG A 51 -3.400 -2.956 -8.573 1.00 0.47 O ATOM 740 CB ARG A 51 -0.360 -1.741 -8.264 1.00 0.49 C ATOM 741 CG ARG A 51 0.061 -3.028 -8.969 1.00 0.97 C ATOM 742 CD ARG A 51 0.450 -2.772 -10.432 1.00 0.98 C ATOM 743 NE ARG A 51 -0.648 -2.234 -11.263 1.00 1.92 N ATOM 744 CZ ARG A 51 -0.552 -1.119 -12.032 1.00 2.31 C ATOM 745 NH1 ARG A 51 0.627 -0.543 -12.247 1.00 2.05 N ATOM 746 NH2 ARG A 51 -1.632 -0.622 -12.634 1.00 3.40 N ATOM 0 H ARG A 51 -1.097 0.531 -7.714 1.00 0.32 H new ATOM 0 HA ARG A 51 -1.857 -1.268 -9.739 1.00 0.38 H new ATOM 0 HB2 ARG A 51 0.383 -0.971 -8.474 1.00 0.49 H new ATOM 0 HB3 ARG A 51 -0.345 -1.914 -7.188 1.00 0.49 H new ATOM 0 HG2 ARG A 51 0.904 -3.473 -8.441 1.00 0.97 H new ATOM 0 HG3 ARG A 51 -0.756 -3.748 -8.930 1.00 0.97 H new ATOM 0 HD2 ARG A 51 1.286 -2.074 -10.457 1.00 0.98 H new ATOM 0 HD3 ARG A 51 0.801 -3.705 -10.872 1.00 0.98 H new ATOM 0 HE ARG A 51 -1.537 -2.734 -11.258 1.00 1.92 H new ATOM 0 HH11 ARG A 51 1.471 -0.938 -11.833 1.00 2.05 H new ATOM 0 HH12 ARG A 51 0.687 0.294 -12.826 1.00 2.05 H new ATOM 0 HH21 ARG A 51 -2.536 -1.079 -12.518 1.00 3.40 H new ATOM 0 HH22 ARG A 51 -1.554 0.216 -13.211 1.00 3.40 H new ATOM 760 N LEU A 52 -3.140 -1.670 -6.743 1.00 0.32 N ATOM 761 CA LEU A 52 -4.154 -2.346 -5.959 1.00 0.34 C ATOM 762 C LEU A 52 -5.541 -1.871 -6.389 1.00 0.33 C ATOM 763 O LEU A 52 -6.437 -2.691 -6.668 1.00 0.40 O ATOM 764 CB LEU A 52 -3.939 -2.062 -4.469 1.00 0.35 C ATOM 765 CG LEU A 52 -2.617 -2.552 -3.869 1.00 0.38 C ATOM 766 CD1 LEU A 52 -2.495 -2.084 -2.435 1.00 0.43 C ATOM 767 CD2 LEU A 52 -2.522 -4.073 -3.938 1.00 0.39 C ATOM 0 H LEU A 52 -2.688 -0.896 -6.256 1.00 0.32 H new ATOM 0 HA LEU A 52 -4.078 -3.420 -6.127 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -4.008 -0.986 -4.312 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -4.757 -2.518 -3.912 1.00 0.35 H new ATOM 0 HG LEU A 52 -1.796 -2.133 -4.451 1.00 0.38 H new ATOM 0 HD11 LEU A 52 -1.553 -2.437 -2.016 1.00 0.43 H new ATOM 0 HD12 LEU A 52 -2.521 -0.995 -2.404 1.00 0.43 H new ATOM 0 HD13 LEU A 52 -3.324 -2.483 -1.850 1.00 0.43 H new ATOM 0 HD21 LEU A 52 -1.575 -4.398 -3.506 1.00 0.39 H new ATOM 0 HD22 LEU A 52 -3.347 -4.515 -3.379 1.00 0.39 H new ATOM 0 HD23 LEU A 52 -2.576 -4.394 -4.978 1.00 0.39 H new ATOM 779 N GLU A 53 -5.702 -0.539 -6.483 1.00 0.28 N ATOM 780 CA GLU A 53 -6.975 0.085 -6.874 1.00 0.29 C ATOM 781 C GLU A 53 -7.492 -0.498 -8.191 1.00 0.31 C ATOM 782 O GLU A 53 -8.655 -0.838 -8.292 1.00 0.35 O ATOM 783 CB GLU A 53 -6.849 1.605 -7.047 1.00 0.29 C ATOM 784 CG GLU A 53 -6.383 2.398 -5.843 1.00 0.35 C ATOM 785 CD GLU A 53 -6.402 3.890 -6.134 1.00 0.41 C ATOM 786 OE1 GLU A 53 -5.520 4.374 -6.892 1.00 0.53 O ATOM 787 OE2 GLU A 53 -7.252 4.594 -5.564 1.00 0.51 O ATOM 0 H GLU A 53 -4.957 0.130 -6.291 1.00 0.28 H new ATOM 0 HA GLU A 53 -7.673 -0.127 -6.064 1.00 0.29 H new ATOM 0 HB2 GLU A 53 -6.157 1.796 -7.867 1.00 0.29 H new ATOM 0 HB3 GLU A 53 -7.821 1.993 -7.353 1.00 0.29 H new ATOM 0 HG2 GLU A 53 -7.026 2.182 -4.990 1.00 0.35 H new ATOM 0 HG3 GLU A 53 -5.374 2.090 -5.568 1.00 0.35 H new ATOM 794 N SER A 54 -6.605 -0.636 -9.184 1.00 0.35 N ATOM 795 CA SER A 54 -6.982 -1.150 -10.508 1.00 0.43 C ATOM 796 C SER A 54 -7.521 -2.596 -10.451 1.00 0.47 C ATOM 797 O SER A 54 -8.336 -2.998 -11.283 1.00 0.61 O ATOM 798 CB SER A 54 -5.778 -1.091 -11.467 1.00 0.49 C ATOM 799 OG SER A 54 -5.242 0.222 -11.556 1.00 1.16 O ATOM 0 H SER A 54 -5.617 -0.398 -9.096 1.00 0.35 H new ATOM 0 HA SER A 54 -7.785 -0.511 -10.875 1.00 0.43 H new ATOM 0 HB2 SER A 54 -5.004 -1.777 -11.123 1.00 0.49 H new ATOM 0 HB3 SER A 54 -6.085 -1.427 -12.458 1.00 0.49 H new ATOM 0 HG SER A 54 -4.784 0.446 -10.719 1.00 1.16 H new ATOM 805 N ARG A 55 -7.084 -3.351 -9.468 1.00 0.40 N ATOM 806 CA ARG A 55 -7.450 -4.743 -9.386 1.00 0.46 C ATOM 807 C ARG A 55 -8.793 -4.909 -8.660 1.00 0.47 C ATOM 808 O ARG A 55 -9.677 -5.638 -9.109 1.00 0.57 O ATOM 809 CB ARG A 55 -6.373 -5.527 -8.631 1.00 0.50 C ATOM 810 CG ARG A 55 -6.585 -7.041 -8.659 1.00 0.61 C ATOM 811 CD ARG A 55 -5.720 -7.749 -7.637 1.00 0.75 C ATOM 812 NE ARG A 55 -4.285 -7.448 -7.782 1.00 1.28 N ATOM 813 CZ ARG A 55 -3.389 -7.622 -6.789 1.00 1.65 C ATOM 814 NH1 ARG A 55 -3.788 -8.092 -5.634 1.00 1.46 N ATOM 815 NH2 ARG A 55 -2.110 -7.322 -6.959 1.00 2.65 N ATOM 0 H ARG A 55 -6.476 -3.024 -8.717 1.00 0.40 H new ATOM 0 HA ARG A 55 -7.542 -5.129 -10.401 1.00 0.46 H new ATOM 0 HB2 ARG A 55 -5.399 -5.297 -9.062 1.00 0.50 H new ATOM 0 HB3 ARG A 55 -6.350 -5.191 -7.594 1.00 0.50 H new ATOM 0 HG2 ARG A 55 -7.634 -7.265 -8.465 1.00 0.61 H new ATOM 0 HG3 ARG A 55 -6.357 -7.422 -9.655 1.00 0.61 H new ATOM 0 HD2 ARG A 55 -6.045 -7.464 -6.636 1.00 0.75 H new ATOM 0 HD3 ARG A 55 -5.870 -8.825 -7.727 1.00 0.75 H new ATOM 0 HE ARG A 55 -3.953 -7.090 -8.678 1.00 1.28 H new ATOM 0 HH11 ARG A 55 -4.771 -8.324 -5.490 1.00 1.46 H new ATOM 0 HH12 ARG A 55 -3.116 -8.226 -4.878 1.00 1.46 H new ATOM 0 HH21 ARG A 55 -1.787 -6.952 -7.853 1.00 2.65 H new ATOM 0 HH22 ARG A 55 -1.448 -7.461 -6.196 1.00 2.65 H new ATOM 829 N TYR A 56 -8.922 -4.236 -7.540 1.00 0.42 N ATOM 830 CA TYR A 56 -10.100 -4.398 -6.690 1.00 0.47 C ATOM 831 C TYR A 56 -11.216 -3.410 -7.047 1.00 0.50 C ATOM 832 O TYR A 56 -12.375 -3.606 -6.668 1.00 0.67 O ATOM 833 CB TYR A 56 -9.702 -4.295 -5.201 1.00 0.52 C ATOM 834 CG TYR A 56 -8.708 -5.361 -4.771 1.00 0.53 C ATOM 835 CD1 TYR A 56 -9.135 -6.581 -4.269 1.00 0.62 C ATOM 836 CD2 TYR A 56 -7.340 -5.120 -4.831 1.00 0.59 C ATOM 837 CE1 TYR A 56 -8.234 -7.527 -3.834 1.00 0.70 C ATOM 838 CE2 TYR A 56 -6.433 -6.068 -4.404 1.00 0.65 C ATOM 839 CZ TYR A 56 -6.899 -7.349 -4.069 1.00 0.67 C ATOM 840 OH TYR A 56 -5.975 -8.208 -3.452 1.00 0.79 O ATOM 0 H TYR A 56 -8.233 -3.571 -7.189 1.00 0.42 H new ATOM 0 HA TYR A 56 -10.506 -5.393 -6.871 1.00 0.47 H new ATOM 0 HB2 TYR A 56 -9.273 -3.311 -5.014 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -10.598 -4.374 -4.586 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -10.193 -6.793 -4.218 1.00 0.62 H new ATOM 0 HD2 TYR A 56 -6.982 -4.177 -5.217 1.00 0.59 H new ATOM 0 HE1 TYR A 56 -8.580 -8.405 -3.310 1.00 0.70 H new ATOM 0 HE2 TYR A 56 -5.383 -5.829 -4.329 1.00 0.65 H new ATOM 0 HH TYR A 56 -5.242 -7.681 -3.071 1.00 0.79 H new ATOM 850 N GLY A 57 -10.862 -2.375 -7.795 1.00 0.41 N ATOM 851 CA GLY A 57 -11.817 -1.354 -8.181 1.00 0.45 C ATOM 852 C GLY A 57 -12.059 -0.385 -7.048 1.00 0.46 C ATOM 853 O GLY A 57 -13.201 -0.049 -6.742 1.00 0.61 O ATOM 0 H GLY A 57 -9.917 -2.223 -8.146 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -11.446 -0.815 -9.053 1.00 0.45 H new ATOM 0 HA3 GLY A 57 -12.758 -1.822 -8.472 1.00 0.45 H new ATOM 857 N VAL A 58 -10.981 0.083 -6.418 1.00 0.38 N ATOM 858 CA VAL A 58 -11.149 0.953 -5.266 1.00 0.42 C ATOM 859 C VAL A 58 -10.715 2.391 -5.579 1.00 0.45 C ATOM 860 O VAL A 58 -10.378 2.691 -6.727 1.00 0.51 O ATOM 861 CB VAL A 58 -10.469 0.398 -3.955 1.00 0.42 C ATOM 862 CG1 VAL A 58 -10.731 -1.070 -3.793 1.00 0.59 C ATOM 863 CG2 VAL A 58 -8.979 0.691 -3.833 1.00 0.57 C ATOM 0 H VAL A 58 -10.016 -0.119 -6.678 1.00 0.38 H new ATOM 0 HA VAL A 58 -12.218 0.970 -5.053 1.00 0.42 H new ATOM 0 HB VAL A 58 -10.941 0.948 -3.141 1.00 0.42 H new ATOM 0 HG11 VAL A 58 -10.251 -1.427 -2.882 1.00 0.59 H new ATOM 0 HG12 VAL A 58 -11.805 -1.243 -3.729 1.00 0.59 H new ATOM 0 HG13 VAL A 58 -10.327 -1.608 -4.650 1.00 0.59 H new ATOM 0 HG21 VAL A 58 -8.601 0.271 -2.901 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -8.450 0.243 -4.674 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -8.819 1.769 -3.837 1.00 0.57 H new ATOM 873 N SER A 59 -10.750 3.265 -4.586 1.00 0.51 N ATOM 874 CA SER A 59 -10.333 4.638 -4.743 1.00 0.61 C ATOM 875 C SER A 59 -9.785 5.153 -3.419 1.00 0.56 C ATOM 876 O SER A 59 -10.469 5.080 -2.391 1.00 0.63 O ATOM 877 CB SER A 59 -11.529 5.503 -5.189 1.00 0.84 C ATOM 878 OG SER A 59 -12.139 4.978 -6.366 1.00 1.59 O ATOM 0 H SER A 59 -11.071 3.035 -3.646 1.00 0.51 H new ATOM 0 HA SER A 59 -9.555 4.695 -5.504 1.00 0.61 H new ATOM 0 HB2 SER A 59 -12.265 5.551 -4.386 1.00 0.84 H new ATOM 0 HB3 SER A 59 -11.193 6.523 -5.375 1.00 0.84 H new ATOM 0 HG SER A 59 -12.895 5.546 -6.624 1.00 1.59 H new ATOM 884 N ILE A 60 -8.564 5.587 -3.417 1.00 0.50 N ATOM 885 CA ILE A 60 -7.979 6.187 -2.229 1.00 0.48 C ATOM 886 C ILE A 60 -8.258 7.707 -2.227 1.00 0.53 C ATOM 887 O ILE A 60 -7.847 8.414 -3.145 1.00 0.63 O ATOM 888 CB ILE A 60 -6.442 5.930 -2.159 1.00 0.48 C ATOM 889 CG1 ILE A 60 -6.138 4.427 -2.152 1.00 0.64 C ATOM 890 CG2 ILE A 60 -5.825 6.609 -0.940 1.00 0.53 C ATOM 891 CD1 ILE A 60 -6.777 3.665 -1.004 1.00 0.75 C ATOM 0 H ILE A 60 -7.939 5.543 -4.222 1.00 0.50 H new ATOM 0 HA ILE A 60 -8.436 5.726 -1.353 1.00 0.48 H new ATOM 0 HB ILE A 60 -5.992 6.365 -3.051 1.00 0.48 H new ATOM 0 HG12 ILE A 60 -6.478 3.995 -3.093 1.00 0.64 H new ATOM 0 HG13 ILE A 60 -5.058 4.287 -2.109 1.00 0.64 H new ATOM 0 HG21 ILE A 60 -4.753 6.412 -0.918 1.00 0.53 H new ATOM 0 HG22 ILE A 60 -5.996 7.684 -0.997 1.00 0.53 H new ATOM 0 HG23 ILE A 60 -6.285 6.216 -0.033 1.00 0.53 H new ATOM 0 HD11 ILE A 60 -6.511 2.610 -1.075 1.00 0.75 H new ATOM 0 HD12 ILE A 60 -6.418 4.067 -0.056 1.00 0.75 H new ATOM 0 HD13 ILE A 60 -7.861 3.770 -1.056 1.00 0.75 H new ATOM 903 N PRO A 61 -8.994 8.216 -1.211 1.00 0.65 N ATOM 904 CA PRO A 61 -9.332 9.643 -1.118 1.00 0.77 C ATOM 905 C PRO A 61 -8.103 10.533 -0.885 1.00 0.65 C ATOM 906 O PRO A 61 -7.174 10.161 -0.141 1.00 0.57 O ATOM 907 CB PRO A 61 -10.279 9.708 0.093 1.00 0.97 C ATOM 908 CG PRO A 61 -10.718 8.307 0.322 1.00 1.08 C ATOM 909 CD PRO A 61 -9.564 7.452 -0.100 1.00 0.83 C ATOM 0 HA PRO A 61 -9.771 10.013 -2.045 1.00 0.77 H new ATOM 0 HB2 PRO A 61 -9.770 10.109 0.969 1.00 0.97 H new ATOM 0 HB3 PRO A 61 -11.130 10.359 -0.107 1.00 0.97 H new ATOM 0 HG2 PRO A 61 -10.967 8.140 1.370 1.00 1.08 H new ATOM 0 HG3 PRO A 61 -11.611 8.076 -0.259 1.00 1.08 H new ATOM 0 HD2 PRO A 61 -8.845 7.313 0.708 1.00 0.83 H new ATOM 0 HD3 PRO A 61 -9.887 6.459 -0.414 1.00 0.83 H new ATOM 917 N ASP A 62 -8.132 11.721 -1.481 1.00 0.74 N ATOM 918 CA ASP A 62 -7.018 12.686 -1.441 1.00 0.73 C ATOM 919 C ASP A 62 -6.686 13.175 -0.030 1.00 0.62 C ATOM 920 O ASP A 62 -5.511 13.303 0.313 1.00 0.64 O ATOM 921 CB ASP A 62 -7.238 13.869 -2.432 1.00 0.93 C ATOM 922 CG ASP A 62 -8.548 14.624 -2.246 1.00 1.44 C ATOM 923 OD1 ASP A 62 -9.629 14.020 -2.481 1.00 1.92 O ATOM 924 OD2 ASP A 62 -8.531 15.829 -1.935 1.00 2.07 O ATOM 0 H ASP A 62 -8.936 12.053 -2.014 1.00 0.74 H new ATOM 0 HA ASP A 62 -6.138 12.137 -1.777 1.00 0.73 H new ATOM 0 HB2 ASP A 62 -6.412 14.572 -2.326 1.00 0.93 H new ATOM 0 HB3 ASP A 62 -7.199 13.483 -3.451 1.00 0.93 H new ATOM 929 N ASP A 63 -7.696 13.401 0.801 1.00 0.63 N ATOM 930 CA ASP A 63 -7.449 13.824 2.193 1.00 0.61 C ATOM 931 C ASP A 63 -6.778 12.683 2.972 1.00 0.59 C ATOM 932 O ASP A 63 -5.704 12.847 3.567 1.00 0.64 O ATOM 933 CB ASP A 63 -8.779 14.238 2.892 1.00 0.77 C ATOM 934 CG ASP A 63 -8.638 14.637 4.376 1.00 1.36 C ATOM 935 OD1 ASP A 63 -7.489 14.765 4.867 1.00 2.10 O ATOM 936 OD2 ASP A 63 -9.647 14.844 5.070 1.00 2.00 O ATOM 0 H ASP A 63 -8.680 13.304 0.551 1.00 0.63 H new ATOM 0 HA ASP A 63 -6.787 14.690 2.179 1.00 0.61 H new ATOM 0 HB2 ASP A 63 -9.214 15.075 2.346 1.00 0.77 H new ATOM 0 HB3 ASP A 63 -9.484 13.409 2.819 1.00 0.77 H new ATOM 941 N VAL A 64 -7.366 11.507 2.870 1.00 0.62 N ATOM 942 CA VAL A 64 -6.920 10.340 3.635 1.00 0.69 C ATOM 943 C VAL A 64 -5.488 9.907 3.244 1.00 0.67 C ATOM 944 O VAL A 64 -4.689 9.515 4.108 1.00 0.78 O ATOM 945 CB VAL A 64 -7.907 9.145 3.461 1.00 0.82 C ATOM 946 CG1 VAL A 64 -7.523 7.984 4.370 1.00 0.98 C ATOM 947 CG2 VAL A 64 -9.336 9.594 3.745 1.00 0.90 C ATOM 0 H VAL A 64 -8.163 11.325 2.260 1.00 0.62 H new ATOM 0 HA VAL A 64 -6.907 10.635 4.684 1.00 0.69 H new ATOM 0 HB VAL A 64 -7.846 8.800 2.429 1.00 0.82 H new ATOM 0 HG11 VAL A 64 -8.227 7.164 4.229 1.00 0.98 H new ATOM 0 HG12 VAL A 64 -6.517 7.645 4.122 1.00 0.98 H new ATOM 0 HG13 VAL A 64 -7.550 8.311 5.409 1.00 0.98 H new ATOM 0 HG21 VAL A 64 -10.014 8.750 3.620 1.00 0.90 H new ATOM 0 HG22 VAL A 64 -9.404 9.966 4.767 1.00 0.90 H new ATOM 0 HG23 VAL A 64 -9.613 10.388 3.051 1.00 0.90 H new ATOM 957 N ALA A 65 -5.168 10.020 1.946 1.00 0.61 N ATOM 958 CA ALA A 65 -3.852 9.632 1.409 1.00 0.67 C ATOM 959 C ALA A 65 -2.702 10.352 2.111 1.00 0.64 C ATOM 960 O ALA A 65 -1.682 9.744 2.430 1.00 0.74 O ATOM 961 CB ALA A 65 -3.776 9.896 -0.094 1.00 0.77 C ATOM 0 H ALA A 65 -5.810 10.381 1.241 1.00 0.61 H new ATOM 0 HA ALA A 65 -3.745 8.564 1.597 1.00 0.67 H new ATOM 0 HB1 ALA A 65 -2.795 9.601 -0.466 1.00 0.77 H new ATOM 0 HB2 ALA A 65 -4.546 9.318 -0.604 1.00 0.77 H new ATOM 0 HB3 ALA A 65 -3.933 10.958 -0.285 1.00 0.77 H new ATOM 967 N GLY A 66 -2.894 11.627 2.404 1.00 0.58 N ATOM 968 CA GLY A 66 -1.817 12.409 2.986 1.00 0.66 C ATOM 969 C GLY A 66 -1.783 12.340 4.498 1.00 0.68 C ATOM 970 O GLY A 66 -1.122 13.157 5.144 1.00 0.86 O ATOM 0 H GLY A 66 -3.766 12.134 2.253 1.00 0.58 H new ATOM 0 HA2 GLY A 66 -0.865 12.056 2.591 1.00 0.66 H new ATOM 0 HA3 GLY A 66 -1.924 13.449 2.678 1.00 0.66 H new ATOM 974 N ARG A 67 -2.483 11.388 5.078 1.00 0.64 N ATOM 975 CA ARG A 67 -2.509 11.268 6.531 1.00 0.79 C ATOM 976 C ARG A 67 -1.752 10.059 7.027 1.00 0.77 C ATOM 977 O ARG A 67 -1.569 9.907 8.240 1.00 0.95 O ATOM 978 CB ARG A 67 -3.934 11.196 7.049 1.00 0.94 C ATOM 979 CG ARG A 67 -4.766 12.419 6.776 1.00 1.12 C ATOM 980 CD ARG A 67 -6.118 12.259 7.411 1.00 1.40 C ATOM 981 NE ARG A 67 -7.005 13.388 7.150 1.00 1.89 N ATOM 982 CZ ARG A 67 -7.808 13.948 8.044 1.00 2.51 C ATOM 983 NH1 ARG A 67 -7.633 13.702 9.349 1.00 2.93 N ATOM 984 NH2 ARG A 67 -8.729 14.809 7.644 1.00 3.22 N ATOM 0 H ARG A 67 -3.037 10.692 4.579 1.00 0.64 H new ATOM 0 HA ARG A 67 -2.018 12.163 6.913 1.00 0.79 H new ATOM 0 HB2 ARG A 67 -4.425 10.332 6.601 1.00 0.94 H new ATOM 0 HB3 ARG A 67 -3.906 11.025 8.125 1.00 0.94 H new ATOM 0 HG2 ARG A 67 -4.269 13.305 7.172 1.00 1.12 H new ATOM 0 HG3 ARG A 67 -4.873 12.567 5.701 1.00 1.12 H new ATOM 0 HD2 ARG A 67 -6.582 11.345 7.040 1.00 1.40 H new ATOM 0 HD3 ARG A 67 -5.996 12.140 8.488 1.00 1.40 H new ATOM 0 HE ARG A 67 -7.007 13.776 6.207 1.00 1.89 H new ATOM 0 HH11 ARG A 67 -6.882 13.084 9.655 1.00 2.93 H new ATOM 0 HH12 ARG A 67 -8.251 14.133 10.037 1.00 2.93 H new ATOM 0 HH21 ARG A 67 -8.818 15.038 6.654 1.00 3.22 H new ATOM 0 HH22 ARG A 67 -9.351 15.244 8.326 1.00 3.22 H new ATOM 998 N VAL A 68 -1.310 9.207 6.113 1.00 0.62 N ATOM 999 CA VAL A 68 -0.639 7.976 6.513 1.00 0.66 C ATOM 1000 C VAL A 68 0.892 8.109 6.492 1.00 0.67 C ATOM 1001 O VAL A 68 1.450 9.093 5.952 1.00 1.00 O ATOM 1002 CB VAL A 68 -1.061 6.744 5.638 1.00 0.68 C ATOM 1003 CG1 VAL A 68 -2.560 6.506 5.710 1.00 0.77 C ATOM 1004 CG2 VAL A 68 -0.610 6.912 4.188 1.00 0.64 C ATOM 0 H VAL A 68 -1.401 9.340 5.106 1.00 0.62 H new ATOM 0 HA VAL A 68 -0.963 7.799 7.539 1.00 0.66 H new ATOM 0 HB VAL A 68 -0.559 5.867 6.047 1.00 0.68 H new ATOM 0 HG11 VAL A 68 -2.822 5.646 5.094 1.00 0.77 H new ATOM 0 HG12 VAL A 68 -2.849 6.313 6.743 1.00 0.77 H new ATOM 0 HG13 VAL A 68 -3.086 7.388 5.345 1.00 0.77 H new ATOM 0 HG21 VAL A 68 -0.918 6.042 3.608 1.00 0.64 H new ATOM 0 HG22 VAL A 68 -1.065 7.808 3.767 1.00 0.64 H new ATOM 0 HG23 VAL A 68 0.475 7.006 4.153 1.00 0.64 H new ATOM 1014 N ASP A 69 1.563 7.134 7.076 1.00 0.54 N ATOM 1015 CA ASP A 69 3.035 7.052 7.027 1.00 0.64 C ATOM 1016 C ASP A 69 3.491 5.572 7.104 1.00 0.50 C ATOM 1017 O ASP A 69 4.642 5.225 6.759 1.00 0.54 O ATOM 1018 CB ASP A 69 3.683 7.899 8.162 1.00 0.99 C ATOM 1019 CG ASP A 69 5.189 8.086 8.007 1.00 1.11 C ATOM 1020 OD1 ASP A 69 5.957 7.155 8.371 1.00 1.84 O ATOM 1021 OD2 ASP A 69 5.625 9.111 7.481 1.00 1.37 O ATOM 0 H ASP A 69 1.121 6.377 7.596 1.00 0.54 H new ATOM 0 HA ASP A 69 3.372 7.467 6.077 1.00 0.64 H new ATOM 0 HB2 ASP A 69 3.206 8.878 8.190 1.00 0.99 H new ATOM 0 HB3 ASP A 69 3.482 7.420 9.120 1.00 0.99 H new ATOM 1026 N THR A 70 2.589 4.683 7.518 1.00 0.43 N ATOM 1027 CA THR A 70 2.910 3.284 7.626 1.00 0.37 C ATOM 1028 C THR A 70 2.009 2.405 6.741 1.00 0.33 C ATOM 1029 O THR A 70 0.835 2.737 6.490 1.00 0.34 O ATOM 1030 CB THR A 70 2.833 2.799 9.095 1.00 0.42 C ATOM 1031 OG1 THR A 70 1.535 3.061 9.653 1.00 0.51 O ATOM 1032 CG2 THR A 70 3.897 3.475 9.934 1.00 0.44 C ATOM 0 H THR A 70 1.632 4.920 7.781 1.00 0.43 H new ATOM 0 HA THR A 70 3.935 3.179 7.270 1.00 0.37 H new ATOM 0 HB THR A 70 3.005 1.723 9.102 1.00 0.42 H new ATOM 0 HG1 THR A 70 1.238 3.955 9.385 1.00 0.51 H new ATOM 0 HG21 THR A 70 3.828 3.122 10.963 1.00 0.44 H new ATOM 0 HG22 THR A 70 4.882 3.236 9.534 1.00 0.44 H new ATOM 0 HG23 THR A 70 3.748 4.554 9.910 1.00 0.44 H new ATOM 1040 N PRO A 71 2.556 1.266 6.232 1.00 0.32 N ATOM 1041 CA PRO A 71 1.816 0.276 5.417 1.00 0.31 C ATOM 1042 C PRO A 71 0.561 -0.247 6.128 1.00 0.29 C ATOM 1043 O PRO A 71 -0.412 -0.646 5.481 1.00 0.33 O ATOM 1044 CB PRO A 71 2.834 -0.861 5.254 1.00 0.34 C ATOM 1045 CG PRO A 71 4.145 -0.170 5.316 1.00 0.38 C ATOM 1046 CD PRO A 71 3.981 0.883 6.360 1.00 0.36 C ATOM 0 HA PRO A 71 1.460 0.703 4.479 1.00 0.31 H new ATOM 0 HB2 PRO A 71 2.735 -1.604 6.046 1.00 0.34 H new ATOM 0 HB3 PRO A 71 2.702 -1.385 4.307 1.00 0.34 H new ATOM 0 HG2 PRO A 71 4.944 -0.864 5.578 1.00 0.38 H new ATOM 0 HG3 PRO A 71 4.406 0.268 4.352 1.00 0.38 H new ATOM 0 HD2 PRO A 71 4.208 0.502 7.356 1.00 0.36 H new ATOM 0 HD3 PRO A 71 4.643 1.731 6.185 1.00 0.36 H new ATOM 1054 N ARG A 72 0.604 -0.214 7.463 1.00 0.30 N ATOM 1055 CA ARG A 72 -0.491 -0.648 8.328 1.00 0.34 C ATOM 1056 C ARG A 72 -1.756 0.120 7.989 1.00 0.36 C ATOM 1057 O ARG A 72 -2.821 -0.456 7.739 1.00 0.43 O ATOM 1058 CB ARG A 72 -0.112 -0.369 9.788 1.00 0.41 C ATOM 1059 CG ARG A 72 -1.183 -0.746 10.805 1.00 0.54 C ATOM 1060 CD ARG A 72 -0.800 -0.336 12.227 1.00 0.69 C ATOM 1061 NE ARG A 72 -0.726 1.135 12.417 1.00 0.75 N ATOM 1062 CZ ARG A 72 -0.198 1.734 13.510 1.00 0.98 C ATOM 1063 NH1 ARG A 72 0.577 1.034 14.353 1.00 1.38 N ATOM 1064 NH2 ARG A 72 -0.381 3.031 13.712 1.00 1.16 N ATOM 0 H ARG A 72 1.417 0.122 7.980 1.00 0.30 H new ATOM 0 HA ARG A 72 -0.668 -1.713 8.180 1.00 0.34 H new ATOM 0 HB2 ARG A 72 0.802 -0.915 10.023 1.00 0.41 H new ATOM 0 HB3 ARG A 72 0.114 0.692 9.895 1.00 0.41 H new ATOM 0 HG2 ARG A 72 -2.124 -0.269 10.532 1.00 0.54 H new ATOM 0 HG3 ARG A 72 -1.350 -1.823 10.772 1.00 0.54 H new ATOM 0 HD2 ARG A 72 -1.528 -0.749 12.925 1.00 0.69 H new ATOM 0 HD3 ARG A 72 0.165 -0.776 12.477 1.00 0.69 H new ATOM 0 HE ARG A 72 -1.096 1.732 11.677 1.00 0.75 H new ATOM 0 HH11 ARG A 72 0.769 0.049 14.171 1.00 1.38 H new ATOM 0 HH12 ARG A 72 0.974 1.487 15.176 1.00 1.38 H new ATOM 0 HH21 ARG A 72 -0.921 3.580 13.043 1.00 1.16 H new ATOM 0 HH22 ARG A 72 0.018 3.480 14.536 1.00 1.16 H new ATOM 1078 N GLU A 73 -1.595 1.416 7.917 1.00 0.37 N ATOM 1079 CA GLU A 73 -2.679 2.336 7.691 1.00 0.42 C ATOM 1080 C GLU A 73 -3.206 2.194 6.277 1.00 0.40 C ATOM 1081 O GLU A 73 -4.395 2.238 6.052 1.00 0.44 O ATOM 1082 CB GLU A 73 -2.161 3.744 7.908 1.00 0.50 C ATOM 1083 CG GLU A 73 -1.533 3.947 9.262 1.00 0.63 C ATOM 1084 CD GLU A 73 -0.797 5.246 9.370 1.00 0.74 C ATOM 1085 OE1 GLU A 73 0.281 5.370 8.729 1.00 0.69 O ATOM 1086 OE2 GLU A 73 -1.264 6.129 10.101 1.00 1.33 O ATOM 0 H GLU A 73 -0.687 1.871 8.016 1.00 0.37 H new ATOM 0 HA GLU A 73 -3.495 2.122 8.382 1.00 0.42 H new ATOM 0 HB2 GLU A 73 -1.427 3.976 7.136 1.00 0.50 H new ATOM 0 HB3 GLU A 73 -2.984 4.449 7.788 1.00 0.50 H new ATOM 0 HG2 GLU A 73 -2.309 3.909 10.027 1.00 0.63 H new ATOM 0 HG3 GLU A 73 -0.845 3.126 9.465 1.00 0.63 H new ATOM 1093 N LEU A 74 -2.293 1.982 5.343 1.00 0.40 N ATOM 1094 CA LEU A 74 -2.627 1.878 3.933 1.00 0.43 C ATOM 1095 C LEU A 74 -3.483 0.621 3.691 1.00 0.41 C ATOM 1096 O LEU A 74 -4.450 0.656 2.929 1.00 0.42 O ATOM 1097 CB LEU A 74 -1.314 1.880 3.095 1.00 0.44 C ATOM 1098 CG LEU A 74 -1.400 2.214 1.574 1.00 0.50 C ATOM 1099 CD1 LEU A 74 -2.115 1.135 0.768 1.00 1.04 C ATOM 1100 CD2 LEU A 74 -2.075 3.562 1.371 1.00 1.10 C ATOM 0 H LEU A 74 -1.298 1.877 5.542 1.00 0.40 H new ATOM 0 HA LEU A 74 -3.222 2.734 3.616 1.00 0.43 H new ATOM 0 HB2 LEU A 74 -0.630 2.595 3.553 1.00 0.44 H new ATOM 0 HB3 LEU A 74 -0.858 0.895 3.192 1.00 0.44 H new ATOM 0 HG LEU A 74 -0.377 2.256 1.200 1.00 0.50 H new ATOM 0 HD11 LEU A 74 -2.143 1.424 -0.283 1.00 1.04 H new ATOM 0 HD12 LEU A 74 -1.581 0.190 0.870 1.00 1.04 H new ATOM 0 HD13 LEU A 74 -3.133 1.018 1.140 1.00 1.04 H new ATOM 0 HD21 LEU A 74 -2.130 3.785 0.305 1.00 1.10 H new ATOM 0 HD22 LEU A 74 -3.082 3.531 1.787 1.00 1.10 H new ATOM 0 HD23 LEU A 74 -1.498 4.337 1.875 1.00 1.10 H new ATOM 1112 N LEU A 75 -3.158 -0.468 4.386 1.00 0.41 N ATOM 1113 CA LEU A 75 -3.923 -1.709 4.255 1.00 0.41 C ATOM 1114 C LEU A 75 -5.334 -1.528 4.820 1.00 0.39 C ATOM 1115 O LEU A 75 -6.341 -1.790 4.135 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.234 -2.867 4.994 1.00 0.46 C ATOM 1117 CG LEU A 75 -3.962 -4.218 4.932 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -3.946 -4.774 3.516 1.00 0.51 C ATOM 1119 CD2 LEU A 75 -3.356 -5.204 5.917 1.00 0.54 C ATOM 0 H LEU A 75 -2.377 -0.518 5.040 1.00 0.41 H new ATOM 0 HA LEU A 75 -3.979 -1.949 3.193 1.00 0.41 H new ATOM 0 HB2 LEU A 75 -2.233 -2.994 4.581 1.00 0.46 H new ATOM 0 HB3 LEU A 75 -3.114 -2.587 6.040 1.00 0.46 H new ATOM 0 HG LEU A 75 -5.002 -4.059 5.217 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -4.467 -5.731 3.495 1.00 0.51 H new ATOM 0 HD12 LEU A 75 -4.445 -4.075 2.845 1.00 0.51 H new ATOM 0 HD13 LEU A 75 -2.915 -4.915 3.192 1.00 0.51 H new ATOM 0 HD21 LEU A 75 -3.888 -6.153 5.855 1.00 0.54 H new ATOM 0 HD22 LEU A 75 -2.305 -5.360 5.675 1.00 0.54 H new ATOM 0 HD23 LEU A 75 -3.440 -4.806 6.928 1.00 0.54 H new ATOM 1131 N ASP A 76 -5.392 -1.034 6.053 1.00 0.44 N ATOM 1132 CA ASP A 76 -6.665 -0.867 6.781 1.00 0.48 C ATOM 1133 C ASP A 76 -7.573 0.122 6.052 1.00 0.40 C ATOM 1134 O ASP A 76 -8.791 -0.059 5.991 1.00 0.44 O ATOM 1135 CB ASP A 76 -6.384 -0.416 8.218 1.00 0.66 C ATOM 1136 CG ASP A 76 -7.620 -0.334 9.086 1.00 1.06 C ATOM 1137 OD1 ASP A 76 -8.099 -1.395 9.564 1.00 1.08 O ATOM 1138 OD2 ASP A 76 -8.086 0.788 9.362 1.00 1.89 O ATOM 0 H ASP A 76 -4.571 -0.738 6.580 1.00 0.44 H new ATOM 0 HA ASP A 76 -7.186 -1.824 6.819 1.00 0.48 H new ATOM 0 HB2 ASP A 76 -5.677 -1.108 8.674 1.00 0.66 H new ATOM 0 HB3 ASP A 76 -5.903 0.562 8.194 1.00 0.66 H new ATOM 1143 N LEU A 77 -6.946 1.133 5.446 1.00 0.37 N ATOM 1144 CA LEU A 77 -7.617 2.146 4.627 1.00 0.38 C ATOM 1145 C LEU A 77 -8.421 1.442 3.523 1.00 0.33 C ATOM 1146 O LEU A 77 -9.616 1.696 3.346 1.00 0.34 O ATOM 1147 CB LEU A 77 -6.534 3.055 3.987 1.00 0.46 C ATOM 1148 CG LEU A 77 -6.907 4.470 3.473 1.00 0.57 C ATOM 1149 CD1 LEU A 77 -5.656 5.158 2.948 1.00 1.37 C ATOM 1150 CD2 LEU A 77 -7.985 4.455 2.394 1.00 1.24 C ATOM 0 H LEU A 77 -5.938 1.273 5.512 1.00 0.37 H new ATOM 0 HA LEU A 77 -8.291 2.747 5.237 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -5.739 3.178 4.723 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -6.108 2.508 3.146 1.00 0.46 H new ATOM 0 HG LEU A 77 -7.324 5.020 4.317 1.00 0.57 H new ATOM 0 HD11 LEU A 77 -5.913 6.153 2.585 1.00 1.37 H new ATOM 0 HD12 LEU A 77 -4.923 5.242 3.750 1.00 1.37 H new ATOM 0 HD13 LEU A 77 -5.234 4.572 2.131 1.00 1.37 H new ATOM 0 HD21 LEU A 77 -8.199 5.476 2.079 1.00 1.24 H new ATOM 0 HD22 LEU A 77 -7.636 3.877 1.539 1.00 1.24 H new ATOM 0 HD23 LEU A 77 -8.892 4.001 2.792 1.00 1.24 H new ATOM 1162 N ILE A 78 -7.765 0.526 2.817 1.00 0.31 N ATOM 1163 CA ILE A 78 -8.386 -0.170 1.713 1.00 0.32 C ATOM 1164 C ILE A 78 -9.443 -1.131 2.228 1.00 0.29 C ATOM 1165 O ILE A 78 -10.544 -1.210 1.674 1.00 0.33 O ATOM 1166 CB ILE A 78 -7.345 -0.915 0.819 1.00 0.39 C ATOM 1167 CG1 ILE A 78 -6.398 0.113 0.167 1.00 0.53 C ATOM 1168 CG2 ILE A 78 -8.064 -1.748 -0.255 1.00 0.44 C ATOM 1169 CD1 ILE A 78 -5.352 -0.486 -0.748 1.00 0.63 C ATOM 0 H ILE A 78 -6.799 0.253 2.997 1.00 0.31 H new ATOM 0 HA ILE A 78 -8.863 0.579 1.081 1.00 0.32 H new ATOM 0 HB ILE A 78 -6.758 -1.594 1.438 1.00 0.39 H new ATOM 0 HG12 ILE A 78 -6.994 0.827 -0.402 1.00 0.53 H new ATOM 0 HG13 ILE A 78 -5.895 0.674 0.954 1.00 0.53 H new ATOM 0 HG21 ILE A 78 -7.326 -2.262 -0.871 1.00 0.44 H new ATOM 0 HG22 ILE A 78 -8.710 -2.482 0.226 1.00 0.44 H new ATOM 0 HG23 ILE A 78 -8.666 -1.091 -0.882 1.00 0.44 H new ATOM 0 HD11 ILE A 78 -4.732 0.309 -1.161 1.00 0.63 H new ATOM 0 HD12 ILE A 78 -4.727 -1.177 -0.183 1.00 0.63 H new ATOM 0 HD13 ILE A 78 -5.843 -1.022 -1.560 1.00 0.63 H new ATOM 1181 N ASN A 79 -9.119 -1.829 3.302 1.00 0.30 N ATOM 1182 CA ASN A 79 -10.056 -2.776 3.910 1.00 0.33 C ATOM 1183 C ASN A 79 -11.340 -2.067 4.321 1.00 0.37 C ATOM 1184 O ASN A 79 -12.448 -2.558 4.071 1.00 0.46 O ATOM 1185 CB ASN A 79 -9.447 -3.492 5.132 1.00 0.42 C ATOM 1186 CG ASN A 79 -8.314 -4.477 4.823 1.00 0.53 C ATOM 1187 OD1 ASN A 79 -8.303 -5.044 3.641 1.00 1.21 O flip ATOM 1188 ND2 ASN A 79 -7.453 -4.720 5.654 1.00 0.55 N flip ATOM 0 H ASN A 79 -8.218 -1.763 3.775 1.00 0.30 H new ATOM 0 HA ASN A 79 -10.280 -3.531 3.156 1.00 0.33 H new ATOM 0 HB2 ASN A 79 -9.071 -2.738 5.823 1.00 0.42 H new ATOM 0 HB3 ASN A 79 -10.242 -4.030 5.649 1.00 0.42 H new ATOM 0 HD21 ASN A 79 -7.483 -4.266 6.567 1.00 0.55 H new ATOM 0 HD22 ASN A 79 -6.704 -5.377 5.435 1.00 0.55 H new ATOM 1195 N GLY A 80 -11.174 -0.893 4.910 1.00 0.37 N ATOM 1196 CA GLY A 80 -12.285 -0.082 5.339 1.00 0.46 C ATOM 1197 C GLY A 80 -13.090 0.472 4.184 1.00 0.47 C ATOM 1198 O GLY A 80 -14.311 0.442 4.218 1.00 0.57 O ATOM 0 H GLY A 80 -10.260 -0.482 5.101 1.00 0.37 H new ATOM 0 HA2 GLY A 80 -12.938 -0.677 5.978 1.00 0.46 H new ATOM 0 HA3 GLY A 80 -11.913 0.744 5.945 1.00 0.46 H new ATOM 1202 N ALA A 81 -12.417 0.930 3.143 1.00 0.43 N ATOM 1203 CA ALA A 81 -13.098 1.510 1.998 1.00 0.49 C ATOM 1204 C ALA A 81 -13.831 0.452 1.157 1.00 0.54 C ATOM 1205 O ALA A 81 -14.822 0.745 0.499 1.00 0.68 O ATOM 1206 CB ALA A 81 -12.143 2.335 1.178 1.00 0.49 C ATOM 0 H ALA A 81 -11.400 0.912 3.067 1.00 0.43 H new ATOM 0 HA ALA A 81 -13.873 2.177 2.374 1.00 0.49 H new ATOM 0 HB1 ALA A 81 -12.671 2.761 0.325 1.00 0.49 H new ATOM 0 HB2 ALA A 81 -11.737 3.139 1.792 1.00 0.49 H new ATOM 0 HB3 ALA A 81 -11.329 1.703 0.822 1.00 0.49 H new ATOM 1212 N LEU A 82 -13.348 -0.781 1.192 1.00 0.48 N ATOM 1213 CA LEU A 82 -14.060 -1.899 0.566 1.00 0.57 C ATOM 1214 C LEU A 82 -15.427 -2.101 1.238 1.00 0.70 C ATOM 1215 O LEU A 82 -16.413 -2.453 0.589 1.00 0.87 O ATOM 1216 CB LEU A 82 -13.227 -3.194 0.649 1.00 0.54 C ATOM 1217 CG LEU A 82 -12.011 -3.281 -0.289 1.00 0.55 C ATOM 1218 CD1 LEU A 82 -11.161 -4.511 0.020 1.00 0.61 C ATOM 1219 CD2 LEU A 82 -12.490 -3.333 -1.729 1.00 0.63 C ATOM 0 H LEU A 82 -12.470 -1.038 1.644 1.00 0.48 H new ATOM 0 HA LEU A 82 -14.216 -1.660 -0.486 1.00 0.57 H new ATOM 0 HB2 LEU A 82 -12.877 -3.311 1.675 1.00 0.54 H new ATOM 0 HB3 LEU A 82 -13.884 -4.038 0.438 1.00 0.54 H new ATOM 0 HG LEU A 82 -11.391 -2.397 -0.135 1.00 0.55 H new ATOM 0 HD11 LEU A 82 -10.309 -4.545 -0.659 1.00 0.61 H new ATOM 0 HD12 LEU A 82 -10.803 -4.457 1.048 1.00 0.61 H new ATOM 0 HD13 LEU A 82 -11.763 -5.411 -0.108 1.00 0.61 H new ATOM 0 HD21 LEU A 82 -11.630 -3.395 -2.396 1.00 0.63 H new ATOM 0 HD22 LEU A 82 -13.123 -4.209 -1.871 1.00 0.63 H new ATOM 0 HD23 LEU A 82 -13.061 -2.433 -1.955 1.00 0.63 H new ATOM 1231 N ALA A 83 -15.485 -1.796 2.529 1.00 0.69 N ATOM 1232 CA ALA A 83 -16.697 -1.946 3.326 1.00 0.87 C ATOM 1233 C ALA A 83 -17.704 -0.825 3.049 1.00 1.01 C ATOM 1234 O ALA A 83 -18.795 -0.787 3.651 1.00 1.25 O ATOM 1235 CB ALA A 83 -16.360 -2.022 4.808 1.00 0.90 C ATOM 0 H ALA A 83 -14.689 -1.436 3.055 1.00 0.69 H new ATOM 0 HA ALA A 83 -17.169 -2.883 3.031 1.00 0.87 H new ATOM 0 HB1 ALA A 83 -17.278 -2.134 5.385 1.00 0.90 H new ATOM 0 HB2 ALA A 83 -15.711 -2.878 4.990 1.00 0.90 H new ATOM 0 HB3 ALA A 83 -15.849 -1.108 5.112 1.00 0.90 H new