USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 533 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 THR OG1 : rot -52:sc= 1.09 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0839 USER MOD Single : A 17 SER OG : rot 78:sc= -1.14! USER MOD Single : A 40 TYR OH : rot -158:sc= -0.155 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -172:sc= -0.711 (180deg=-0.771) USER MOD Single : A 48 THR OG1 : rot 60:sc= 0.959 USER MOD Single : A 54 SER OG : rot 77:sc= 0.135 USER MOD Single : A 56 TYR OH : rot -64:sc= 0.897 USER MOD Single : A 59 SER OG : rot 21:sc= 1.14 USER MOD Single : A 70 THR OG1 : rot -160:sc= -0.364 USER MOD Single : A 79 ASN : amide:sc= -0.694! K(o=-0.69!,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -9.155 7.575 -2.793 1.00 0.89 N ATOM 45 CA LEU A 4 -8.639 6.603 -3.689 1.00 0.69 C ATOM 46 C LEU A 4 -7.139 6.592 -3.439 1.00 0.63 C ATOM 47 O LEU A 4 -6.604 7.518 -2.811 1.00 0.87 O ATOM 48 CB LEU A 4 -8.873 6.939 -5.159 1.00 0.83 C ATOM 49 CG LEU A 4 -8.523 5.829 -6.102 1.00 1.14 C ATOM 50 CD1 LEU A 4 -9.463 4.629 -5.931 1.00 1.27 C ATOM 51 CD2 LEU A 4 -8.446 6.296 -7.538 1.00 1.51 C ATOM 0 HA LEU A 4 -9.137 5.650 -3.511 1.00 0.69 H new ATOM 0 HB2 LEU A 4 -9.921 7.203 -5.298 1.00 0.83 H new ATOM 0 HB3 LEU A 4 -8.286 7.820 -5.417 1.00 0.83 H new ATOM 0 HG LEU A 4 -7.520 5.492 -5.839 1.00 1.14 H new ATOM 0 HD11 LEU A 4 -9.180 3.843 -6.631 1.00 1.27 H new ATOM 0 HD12 LEU A 4 -9.389 4.251 -4.911 1.00 1.27 H new ATOM 0 HD13 LEU A 4 -10.489 4.939 -6.129 1.00 1.27 H new ATOM 0 HD21 LEU A 4 -8.189 5.454 -8.181 1.00 1.51 H new ATOM 0 HD22 LEU A 4 -9.411 6.703 -7.841 1.00 1.51 H new ATOM 0 HD23 LEU A 4 -7.682 7.068 -7.629 1.00 1.51 H new ATOM 63 N LEU A 5 -6.494 5.552 -3.829 1.00 0.49 N ATOM 64 CA LEU A 5 -5.081 5.476 -3.777 1.00 0.44 C ATOM 65 C LEU A 5 -4.575 5.192 -5.159 1.00 0.39 C ATOM 66 O LEU A 5 -5.014 4.222 -5.783 1.00 0.42 O ATOM 67 CB LEU A 5 -4.676 4.329 -2.875 1.00 0.47 C ATOM 68 CG LEU A 5 -5.021 4.467 -1.408 1.00 0.53 C ATOM 69 CD1 LEU A 5 -4.778 3.153 -0.709 1.00 0.80 C ATOM 70 CD2 LEU A 5 -4.181 5.568 -0.774 1.00 0.79 C ATOM 0 H LEU A 5 -6.943 4.715 -4.200 1.00 0.49 H new ATOM 0 HA LEU A 5 -4.670 6.411 -3.397 1.00 0.44 H new ATOM 0 HB2 LEU A 5 -5.143 3.419 -3.251 1.00 0.47 H new ATOM 0 HB3 LEU A 5 -3.598 4.193 -2.960 1.00 0.47 H new ATOM 0 HG LEU A 5 -6.073 4.735 -1.308 1.00 0.53 H new ATOM 0 HD11 LEU A 5 -5.026 3.252 0.348 1.00 0.80 H new ATOM 0 HD12 LEU A 5 -5.403 2.381 -1.158 1.00 0.80 H new ATOM 0 HD13 LEU A 5 -3.729 2.875 -0.811 1.00 0.80 H new ATOM 0 HD21 LEU A 5 -4.437 5.659 0.282 1.00 0.79 H new ATOM 0 HD22 LEU A 5 -3.124 5.321 -0.871 1.00 0.79 H new ATOM 0 HD23 LEU A 5 -4.380 6.514 -1.278 1.00 0.79 H new ATOM 82 N THR A 6 -3.727 6.034 -5.662 1.00 0.38 N ATOM 83 CA THR A 6 -3.062 5.736 -6.885 1.00 0.40 C ATOM 84 C THR A 6 -1.659 5.268 -6.549 1.00 0.34 C ATOM 85 O THR A 6 -1.354 5.059 -5.365 1.00 0.30 O ATOM 86 CB THR A 6 -3.026 6.931 -7.866 1.00 0.51 C ATOM 87 OG1 THR A 6 -2.322 8.036 -7.279 1.00 0.56 O ATOM 88 CG2 THR A 6 -4.436 7.362 -8.223 1.00 0.63 C ATOM 0 H THR A 6 -3.481 6.931 -5.243 1.00 0.38 H new ATOM 0 HA THR A 6 -3.620 4.955 -7.402 1.00 0.40 H new ATOM 0 HB THR A 6 -2.508 6.616 -8.772 1.00 0.51 H new ATOM 0 HG1 THR A 6 -2.696 8.230 -6.394 1.00 0.56 H new ATOM 0 HG21 THR A 6 -4.395 8.204 -8.914 1.00 0.63 H new ATOM 0 HG22 THR A 6 -4.962 6.531 -8.694 1.00 0.63 H new ATOM 0 HG23 THR A 6 -4.965 7.661 -7.318 1.00 0.63 H new ATOM 96 N THR A 7 -0.823 5.127 -7.540 1.00 0.37 N ATOM 97 CA THR A 7 0.537 4.687 -7.370 1.00 0.37 C ATOM 98 C THR A 7 1.293 5.570 -6.347 1.00 0.35 C ATOM 99 O THR A 7 1.826 5.065 -5.350 1.00 0.34 O ATOM 100 CB THR A 7 1.215 4.784 -8.724 1.00 0.48 C ATOM 101 OG1 THR A 7 0.272 4.325 -9.717 1.00 0.61 O ATOM 102 CG2 THR A 7 2.447 3.898 -8.755 1.00 0.56 C ATOM 0 H THR A 7 -1.072 5.319 -8.510 1.00 0.37 H new ATOM 0 HA THR A 7 0.548 3.666 -6.990 1.00 0.37 H new ATOM 0 HB THR A 7 1.522 5.811 -8.920 1.00 0.48 H new ATOM 0 HG1 THR A 7 0.681 4.377 -10.606 1.00 0.61 H new ATOM 0 HG21 THR A 7 2.926 3.975 -9.731 1.00 0.56 H new ATOM 0 HG22 THR A 7 3.145 4.219 -7.982 1.00 0.56 H new ATOM 0 HG23 THR A 7 2.156 2.863 -8.574 1.00 0.56 H new ATOM 110 N ASP A 8 1.299 6.878 -6.574 1.00 0.43 N ATOM 111 CA ASP A 8 2.045 7.782 -5.704 1.00 0.50 C ATOM 112 C ASP A 8 1.362 7.955 -4.343 1.00 0.44 C ATOM 113 O ASP A 8 2.034 8.177 -3.336 1.00 0.46 O ATOM 114 CB ASP A 8 2.292 9.134 -6.369 1.00 0.67 C ATOM 115 CG ASP A 8 3.333 9.953 -5.633 1.00 1.08 C ATOM 116 OD1 ASP A 8 4.555 9.723 -5.823 1.00 1.26 O ATOM 117 OD2 ASP A 8 2.943 10.824 -4.822 1.00 1.65 O ATOM 0 H ASP A 8 0.804 7.333 -7.341 1.00 0.43 H new ATOM 0 HA ASP A 8 3.016 7.319 -5.529 1.00 0.50 H new ATOM 0 HB2 ASP A 8 2.617 8.977 -7.398 1.00 0.67 H new ATOM 0 HB3 ASP A 8 1.357 9.692 -6.412 1.00 0.67 H new ATOM 122 N ASP A 9 0.027 7.813 -4.301 1.00 0.42 N ATOM 123 CA ASP A 9 -0.700 7.886 -3.009 1.00 0.42 C ATOM 124 C ASP A 9 -0.309 6.701 -2.170 1.00 0.40 C ATOM 125 O ASP A 9 -0.139 6.806 -0.959 1.00 0.45 O ATOM 126 CB ASP A 9 -2.238 7.855 -3.150 1.00 0.46 C ATOM 127 CG ASP A 9 -2.846 9.001 -3.908 1.00 0.84 C ATOM 128 OD1 ASP A 9 -2.913 10.097 -3.353 1.00 0.86 O ATOM 129 OD2 ASP A 9 -3.243 8.840 -5.074 1.00 1.41 O ATOM 0 H ASP A 9 -0.563 7.651 -5.117 1.00 0.42 H new ATOM 0 HA ASP A 9 -0.426 8.841 -2.559 1.00 0.42 H new ATOM 0 HB2 ASP A 9 -2.520 6.926 -3.645 1.00 0.46 H new ATOM 0 HB3 ASP A 9 -2.676 7.831 -2.152 1.00 0.46 H new ATOM 134 N LEU A 10 -0.158 5.564 -2.834 1.00 0.37 N ATOM 135 CA LEU A 10 0.225 4.337 -2.180 1.00 0.36 C ATOM 136 C LEU A 10 1.646 4.486 -1.659 1.00 0.36 C ATOM 137 O LEU A 10 1.934 4.150 -0.523 1.00 0.41 O ATOM 138 CB LEU A 10 0.157 3.170 -3.156 1.00 0.35 C ATOM 139 CG LEU A 10 0.095 1.798 -2.517 1.00 0.37 C ATOM 140 CD1 LEU A 10 -1.250 1.624 -1.823 1.00 0.48 C ATOM 141 CD2 LEU A 10 0.332 0.709 -3.549 1.00 0.37 C ATOM 0 H LEU A 10 -0.299 5.474 -3.840 1.00 0.37 H new ATOM 0 HA LEU A 10 -0.459 4.137 -1.356 1.00 0.36 H new ATOM 0 HB2 LEU A 10 -0.720 3.298 -3.790 1.00 0.35 H new ATOM 0 HB3 LEU A 10 1.030 3.211 -3.808 1.00 0.35 H new ATOM 0 HG LEU A 10 0.886 1.712 -1.772 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -1.297 0.637 -1.362 1.00 0.48 H new ATOM 0 HD12 LEU A 10 -1.365 2.389 -1.055 1.00 0.48 H new ATOM 0 HD13 LEU A 10 -2.052 1.721 -2.555 1.00 0.48 H new ATOM 0 HD21 LEU A 10 0.283 -0.267 -3.066 1.00 0.37 H new ATOM 0 HD22 LEU A 10 -0.432 0.769 -4.324 1.00 0.37 H new ATOM 0 HD23 LEU A 10 1.316 0.842 -3.999 1.00 0.37 H new ATOM 153 N ARG A 11 2.511 5.022 -2.512 1.00 0.36 N ATOM 154 CA ARG A 11 3.904 5.341 -2.180 1.00 0.38 C ATOM 155 C ARG A 11 3.952 6.160 -0.890 1.00 0.39 C ATOM 156 O ARG A 11 4.650 5.811 0.055 1.00 0.41 O ATOM 157 CB ARG A 11 4.524 6.100 -3.397 1.00 0.42 C ATOM 158 CG ARG A 11 5.946 6.676 -3.266 1.00 0.52 C ATOM 159 CD ARG A 11 5.989 8.015 -2.534 1.00 0.71 C ATOM 160 NE ARG A 11 7.312 8.651 -2.614 1.00 1.21 N ATOM 161 CZ ARG A 11 7.652 9.798 -2.005 1.00 1.60 C ATOM 162 NH1 ARG A 11 6.809 10.380 -1.157 1.00 1.92 N ATOM 163 NH2 ARG A 11 8.833 10.358 -2.259 1.00 2.46 N ATOM 0 H ARG A 11 2.264 5.254 -3.474 1.00 0.36 H new ATOM 0 HA ARG A 11 4.489 4.439 -1.999 1.00 0.38 H new ATOM 0 HB2 ARG A 11 4.521 5.418 -4.247 1.00 0.42 H new ATOM 0 HB3 ARG A 11 3.856 6.924 -3.647 1.00 0.42 H new ATOM 0 HG2 ARG A 11 6.574 5.960 -2.736 1.00 0.52 H new ATOM 0 HG3 ARG A 11 6.374 6.800 -4.261 1.00 0.52 H new ATOM 0 HD2 ARG A 11 5.240 8.683 -2.959 1.00 0.71 H new ATOM 0 HD3 ARG A 11 5.724 7.864 -1.488 1.00 0.71 H new ATOM 0 HE ARG A 11 8.026 8.185 -3.175 1.00 1.21 H new ATOM 0 HH11 ARG A 11 5.901 9.955 -0.968 1.00 1.92 H new ATOM 0 HH12 ARG A 11 7.070 11.251 -0.696 1.00 1.92 H new ATOM 0 HH21 ARG A 11 9.477 9.916 -2.915 1.00 2.46 H new ATOM 0 HH22 ARG A 11 9.094 11.230 -1.798 1.00 2.46 H new ATOM 177 N ARG A 12 3.167 7.212 -0.875 1.00 0.42 N ATOM 178 CA ARG A 12 3.047 8.144 0.237 1.00 0.47 C ATOM 179 C ARG A 12 2.623 7.415 1.518 1.00 0.43 C ATOM 180 O ARG A 12 3.166 7.660 2.602 1.00 0.48 O ATOM 181 CB ARG A 12 2.006 9.155 -0.159 1.00 0.60 C ATOM 182 CG ARG A 12 1.986 10.441 0.624 1.00 1.18 C ATOM 183 CD ARG A 12 0.998 11.381 -0.023 1.00 1.47 C ATOM 184 NE ARG A 12 1.274 11.503 -1.476 1.00 2.25 N ATOM 185 CZ ARG A 12 0.365 11.760 -2.425 1.00 2.83 C ATOM 186 NH1 ARG A 12 -0.864 12.118 -2.094 1.00 2.60 N ATOM 187 NH2 ARG A 12 0.693 11.666 -3.715 1.00 3.93 N ATOM 0 H ARG A 12 2.569 7.457 -1.664 1.00 0.42 H new ATOM 0 HA ARG A 12 4.004 8.623 0.444 1.00 0.47 H new ATOM 0 HB2 ARG A 12 2.150 9.399 -1.212 1.00 0.60 H new ATOM 0 HB3 ARG A 12 1.025 8.687 -0.072 1.00 0.60 H new ATOM 0 HG2 ARG A 12 1.704 10.250 1.659 1.00 1.18 H new ATOM 0 HG3 ARG A 12 2.979 10.889 0.642 1.00 1.18 H new ATOM 0 HD2 ARG A 12 -0.017 11.014 0.131 1.00 1.47 H new ATOM 0 HD3 ARG A 12 1.058 12.362 0.448 1.00 1.47 H new ATOM 0 HE ARG A 12 2.240 11.380 -1.778 1.00 2.25 H new ATOM 0 HH11 ARG A 12 -1.124 12.200 -1.111 1.00 2.60 H new ATOM 0 HH12 ARG A 12 -1.552 12.312 -2.822 1.00 2.60 H new ATOM 0 HH21 ARG A 12 1.640 11.397 -3.982 1.00 3.93 H new ATOM 0 HH22 ARG A 12 -0.003 11.863 -4.434 1.00 3.93 H new ATOM 201 N ALA A 13 1.677 6.499 1.366 1.00 0.40 N ATOM 202 CA ALA A 13 1.161 5.709 2.468 1.00 0.42 C ATOM 203 C ALA A 13 2.262 4.841 3.063 1.00 0.41 C ATOM 204 O ALA A 13 2.397 4.736 4.296 1.00 0.50 O ATOM 205 CB ALA A 13 0.005 4.841 1.993 1.00 0.45 C ATOM 0 H ALA A 13 1.245 6.284 0.467 1.00 0.40 H new ATOM 0 HA ALA A 13 0.799 6.386 3.242 1.00 0.42 H new ATOM 0 HB1 ALA A 13 -0.375 4.252 2.828 1.00 0.45 H new ATOM 0 HB2 ALA A 13 -0.791 5.476 1.605 1.00 0.45 H new ATOM 0 HB3 ALA A 13 0.352 4.172 1.205 1.00 0.45 H new ATOM 211 N LEU A 14 3.060 4.236 2.192 1.00 0.38 N ATOM 212 CA LEU A 14 4.185 3.428 2.618 1.00 0.46 C ATOM 213 C LEU A 14 5.219 4.270 3.350 1.00 0.54 C ATOM 214 O LEU A 14 5.740 3.843 4.378 1.00 0.69 O ATOM 215 CB LEU A 14 4.832 2.660 1.445 1.00 0.48 C ATOM 216 CG LEU A 14 4.216 1.294 1.068 1.00 0.54 C ATOM 217 CD1 LEU A 14 2.788 1.409 0.585 1.00 1.21 C ATOM 218 CD2 LEU A 14 5.078 0.581 0.044 1.00 1.44 C ATOM 0 H LEU A 14 2.944 4.293 1.180 1.00 0.38 H new ATOM 0 HA LEU A 14 3.794 2.684 3.312 1.00 0.46 H new ATOM 0 HB2 LEU A 14 4.799 3.300 0.563 1.00 0.48 H new ATOM 0 HB3 LEU A 14 5.884 2.502 1.684 1.00 0.48 H new ATOM 0 HG LEU A 14 4.189 0.698 1.980 1.00 0.54 H new ATOM 0 HD11 LEU A 14 2.408 0.419 0.335 1.00 1.21 H new ATOM 0 HD12 LEU A 14 2.172 1.846 1.371 1.00 1.21 H new ATOM 0 HD13 LEU A 14 2.753 2.045 -0.299 1.00 1.21 H new ATOM 0 HD21 LEU A 14 4.626 -0.379 -0.207 1.00 1.44 H new ATOM 0 HD22 LEU A 14 5.156 1.192 -0.855 1.00 1.44 H new ATOM 0 HD23 LEU A 14 6.073 0.416 0.457 1.00 1.44 H new ATOM 230 N VAL A 15 5.485 5.473 2.836 1.00 0.53 N ATOM 231 CA VAL A 15 6.428 6.411 3.467 1.00 0.63 C ATOM 232 C VAL A 15 5.995 6.679 4.906 1.00 0.66 C ATOM 233 O VAL A 15 6.750 6.423 5.852 1.00 0.80 O ATOM 234 CB VAL A 15 6.488 7.767 2.701 1.00 0.67 C ATOM 235 CG1 VAL A 15 7.459 8.730 3.369 1.00 0.76 C ATOM 236 CG2 VAL A 15 6.889 7.558 1.261 1.00 0.71 C ATOM 0 H VAL A 15 5.059 5.826 1.979 1.00 0.53 H new ATOM 0 HA VAL A 15 7.418 5.955 3.442 1.00 0.63 H new ATOM 0 HB VAL A 15 5.489 8.201 2.728 1.00 0.67 H new ATOM 0 HG11 VAL A 15 7.481 9.668 2.814 1.00 0.76 H new ATOM 0 HG12 VAL A 15 7.136 8.921 4.392 1.00 0.76 H new ATOM 0 HG13 VAL A 15 8.457 8.291 3.380 1.00 0.76 H new ATOM 0 HG21 VAL A 15 6.923 8.520 0.750 1.00 0.71 H new ATOM 0 HG22 VAL A 15 7.873 7.091 1.221 1.00 0.71 H new ATOM 0 HG23 VAL A 15 6.161 6.912 0.771 1.00 0.71 H new ATOM 246 N GLU A 16 4.760 7.131 5.055 1.00 0.62 N ATOM 247 CA GLU A 16 4.181 7.474 6.353 1.00 0.71 C ATOM 248 C GLU A 16 4.268 6.316 7.340 1.00 0.74 C ATOM 249 O GLU A 16 4.769 6.474 8.456 1.00 0.89 O ATOM 250 CB GLU A 16 2.712 7.829 6.166 1.00 0.79 C ATOM 251 CG GLU A 16 2.451 9.170 5.535 1.00 0.87 C ATOM 252 CD GLU A 16 2.789 10.310 6.460 1.00 1.20 C ATOM 253 OE1 GLU A 16 2.030 10.543 7.442 1.00 1.38 O ATOM 254 OE2 GLU A 16 3.769 11.014 6.199 1.00 2.05 O ATOM 0 H GLU A 16 4.121 7.273 4.273 1.00 0.62 H new ATOM 0 HA GLU A 16 4.746 8.315 6.754 1.00 0.71 H new ATOM 0 HB2 GLU A 16 2.244 7.059 5.552 1.00 0.79 H new ATOM 0 HB3 GLU A 16 2.222 7.802 7.139 1.00 0.79 H new ATOM 0 HG2 GLU A 16 3.038 9.260 4.621 1.00 0.87 H new ATOM 0 HG3 GLU A 16 1.402 9.236 5.248 1.00 0.87 H new ATOM 261 N SER A 17 3.857 5.157 6.905 1.00 0.68 N ATOM 262 CA SER A 17 3.750 4.012 7.782 1.00 0.77 C ATOM 263 C SER A 17 5.124 3.370 8.077 1.00 0.89 C ATOM 264 O SER A 17 5.245 2.512 8.944 1.00 1.15 O ATOM 265 CB SER A 17 2.800 3.016 7.154 1.00 0.73 C ATOM 266 OG SER A 17 1.643 3.695 6.633 1.00 1.39 O ATOM 0 H SER A 17 3.587 4.974 5.939 1.00 0.68 H new ATOM 0 HA SER A 17 3.361 4.339 8.746 1.00 0.77 H new ATOM 0 HB2 SER A 17 3.305 2.475 6.353 1.00 0.73 H new ATOM 0 HB3 SER A 17 2.494 2.277 7.894 1.00 0.73 H new ATOM 0 HG SER A 17 1.868 4.115 5.777 1.00 1.39 H new ATOM 400 N ASP A 29 6.113 5.286 -9.886 1.00 0.70 N ATOM 401 CA ASP A 29 5.659 3.944 -10.181 1.00 0.64 C ATOM 402 C ASP A 29 6.653 2.931 -9.666 1.00 0.55 C ATOM 403 O ASP A 29 7.721 2.738 -10.243 1.00 0.74 O ATOM 404 CB ASP A 29 5.433 3.755 -11.688 1.00 0.80 C ATOM 405 CG ASP A 29 5.020 2.340 -12.053 1.00 1.29 C ATOM 406 OD1 ASP A 29 3.809 2.035 -12.044 1.00 1.68 O ATOM 407 OD2 ASP A 29 5.891 1.521 -12.375 1.00 2.07 O ATOM 0 HA ASP A 29 4.705 3.790 -9.676 1.00 0.64 H new ATOM 0 HB2 ASP A 29 4.664 4.450 -12.025 1.00 0.80 H new ATOM 0 HB3 ASP A 29 6.349 4.010 -12.222 1.00 0.80 H new ATOM 412 N PHE A 30 6.328 2.329 -8.559 1.00 0.39 N ATOM 413 CA PHE A 30 7.184 1.323 -7.964 1.00 0.34 C ATOM 414 C PHE A 30 6.470 -0.024 -7.964 1.00 0.31 C ATOM 415 O PHE A 30 6.906 -0.961 -7.322 1.00 0.31 O ATOM 416 CB PHE A 30 7.575 1.729 -6.517 1.00 0.35 C ATOM 417 CG PHE A 30 6.441 1.702 -5.501 1.00 0.33 C ATOM 418 CD1 PHE A 30 5.449 2.673 -5.500 1.00 0.39 C ATOM 419 CD2 PHE A 30 6.388 0.699 -4.542 1.00 0.34 C ATOM 420 CE1 PHE A 30 4.430 2.641 -4.565 1.00 0.44 C ATOM 421 CE2 PHE A 30 5.372 0.662 -3.604 1.00 0.38 C ATOM 422 CZ PHE A 30 4.391 1.634 -3.617 1.00 0.42 C ATOM 0 H PHE A 30 5.470 2.514 -8.040 1.00 0.39 H new ATOM 0 HA PHE A 30 8.097 1.241 -8.553 1.00 0.34 H new ATOM 0 HB2 PHE A 30 8.365 1.062 -6.172 1.00 0.35 H new ATOM 0 HB3 PHE A 30 7.995 2.735 -6.541 1.00 0.35 H new ATOM 0 HD1 PHE A 30 5.473 3.462 -6.237 1.00 0.39 H new ATOM 0 HD2 PHE A 30 7.152 -0.064 -4.528 1.00 0.34 H new ATOM 0 HE1 PHE A 30 3.664 3.403 -4.575 1.00 0.44 H new ATOM 0 HE2 PHE A 30 5.346 -0.124 -2.864 1.00 0.38 H new ATOM 0 HZ PHE A 30 3.594 1.608 -2.888 1.00 0.42 H new ATOM 432 N LEU A 31 5.372 -0.102 -8.724 1.00 0.31 N ATOM 433 CA LEU A 31 4.490 -1.285 -8.781 1.00 0.31 C ATOM 434 C LEU A 31 5.192 -2.629 -9.057 1.00 0.31 C ATOM 435 O LEU A 31 4.643 -3.678 -8.726 1.00 0.35 O ATOM 436 CB LEU A 31 3.311 -1.088 -9.738 1.00 0.33 C ATOM 437 CG LEU A 31 2.344 0.065 -9.424 1.00 0.34 C ATOM 438 CD1 LEU A 31 1.150 0.012 -10.352 1.00 0.39 C ATOM 439 CD2 LEU A 31 1.885 0.034 -7.975 1.00 0.32 C ATOM 0 H LEU A 31 5.063 0.661 -9.326 1.00 0.31 H new ATOM 0 HA LEU A 31 4.113 -1.362 -7.761 1.00 0.31 H new ATOM 0 HB2 LEU A 31 3.710 -0.932 -10.740 1.00 0.33 H new ATOM 0 HB3 LEU A 31 2.737 -2.014 -9.764 1.00 0.33 H new ATOM 0 HG LEU A 31 2.881 1.001 -9.581 1.00 0.34 H new ATOM 0 HD11 LEU A 31 0.472 0.833 -10.120 1.00 0.39 H new ATOM 0 HD12 LEU A 31 1.488 0.101 -11.385 1.00 0.39 H new ATOM 0 HD13 LEU A 31 0.629 -0.936 -10.221 1.00 0.39 H new ATOM 0 HD21 LEU A 31 1.203 0.864 -7.792 1.00 0.32 H new ATOM 0 HD22 LEU A 31 1.373 -0.907 -7.776 1.00 0.32 H new ATOM 0 HD23 LEU A 31 2.750 0.123 -7.317 1.00 0.32 H new ATOM 451 N ASP A 32 6.376 -2.595 -9.638 1.00 0.31 N ATOM 452 CA ASP A 32 7.124 -3.825 -9.949 1.00 0.37 C ATOM 453 C ASP A 32 8.042 -4.224 -8.805 1.00 0.37 C ATOM 454 O ASP A 32 8.408 -5.401 -8.655 1.00 0.45 O ATOM 455 CB ASP A 32 7.966 -3.635 -11.222 1.00 0.48 C ATOM 456 CG ASP A 32 8.872 -4.818 -11.509 1.00 1.29 C ATOM 457 OD1 ASP A 32 8.397 -5.825 -12.068 1.00 2.04 O ATOM 458 OD2 ASP A 32 10.071 -4.775 -11.165 1.00 1.83 O ATOM 0 H ASP A 32 6.851 -1.734 -9.909 1.00 0.31 H new ATOM 0 HA ASP A 32 6.392 -4.617 -10.104 1.00 0.37 H new ATOM 0 HB2 ASP A 32 7.302 -3.477 -12.072 1.00 0.48 H new ATOM 0 HB3 ASP A 32 8.572 -2.735 -11.120 1.00 0.48 H new ATOM 463 N LEU A 33 8.370 -3.275 -7.977 1.00 0.35 N ATOM 464 CA LEU A 33 9.305 -3.496 -6.903 1.00 0.37 C ATOM 465 C LEU A 33 8.629 -4.225 -5.770 1.00 0.34 C ATOM 466 O LEU A 33 7.709 -3.717 -5.161 1.00 0.40 O ATOM 467 CB LEU A 33 9.921 -2.178 -6.398 1.00 0.41 C ATOM 468 CG LEU A 33 10.910 -1.432 -7.324 1.00 0.51 C ATOM 469 CD1 LEU A 33 10.244 -0.894 -8.585 1.00 1.37 C ATOM 470 CD2 LEU A 33 11.581 -0.311 -6.562 1.00 1.27 C ATOM 0 H LEU A 33 8.000 -2.326 -8.024 1.00 0.35 H new ATOM 0 HA LEU A 33 10.118 -4.109 -7.293 1.00 0.37 H new ATOM 0 HB2 LEU A 33 9.103 -1.496 -6.166 1.00 0.41 H new ATOM 0 HB3 LEU A 33 10.436 -2.389 -5.461 1.00 0.41 H new ATOM 0 HG LEU A 33 11.658 -2.155 -7.649 1.00 0.51 H new ATOM 0 HD11 LEU A 33 10.985 -0.380 -9.197 1.00 1.37 H new ATOM 0 HD12 LEU A 33 9.816 -1.721 -9.152 1.00 1.37 H new ATOM 0 HD13 LEU A 33 9.454 -0.196 -8.309 1.00 1.37 H new ATOM 0 HD21 LEU A 33 12.276 0.211 -7.220 1.00 1.27 H new ATOM 0 HD22 LEU A 33 10.826 0.389 -6.204 1.00 1.27 H new ATOM 0 HD23 LEU A 33 12.125 -0.723 -5.712 1.00 1.27 H new ATOM 482 N ARG A 34 9.116 -5.401 -5.481 1.00 0.33 N ATOM 483 CA ARG A 34 8.527 -6.262 -4.478 1.00 0.34 C ATOM 484 C ARG A 34 8.813 -5.682 -3.117 1.00 0.29 C ATOM 485 O ARG A 34 9.886 -5.114 -2.905 1.00 0.34 O ATOM 486 CB ARG A 34 9.147 -7.655 -4.569 1.00 0.47 C ATOM 487 CG ARG A 34 9.048 -8.295 -5.945 1.00 0.61 C ATOM 488 CD ARG A 34 9.745 -9.644 -5.975 1.00 1.10 C ATOM 489 NE ARG A 34 9.152 -10.560 -5.009 1.00 1.91 N ATOM 490 CZ ARG A 34 9.798 -11.516 -4.338 1.00 3.03 C ATOM 491 NH1 ARG A 34 11.069 -11.788 -4.592 1.00 3.63 N ATOM 492 NH2 ARG A 34 9.157 -12.192 -3.409 1.00 3.94 N ATOM 0 H ARG A 34 9.939 -5.797 -5.936 1.00 0.33 H new ATOM 0 HA ARG A 34 7.451 -6.335 -4.639 1.00 0.34 H new ATOM 0 HB2 ARG A 34 10.198 -7.592 -4.285 1.00 0.47 H new ATOM 0 HB3 ARG A 34 8.659 -8.305 -3.843 1.00 0.47 H new ATOM 0 HG2 ARG A 34 8.000 -8.418 -6.217 1.00 0.61 H new ATOM 0 HG3 ARG A 34 9.495 -7.635 -6.689 1.00 0.61 H new ATOM 0 HD2 ARG A 34 9.676 -10.071 -6.976 1.00 1.10 H new ATOM 0 HD3 ARG A 34 10.805 -9.515 -5.756 1.00 1.10 H new ATOM 0 HE ARG A 34 8.153 -10.462 -4.829 1.00 1.91 H new ATOM 0 HH11 ARG A 34 11.569 -11.264 -5.310 1.00 3.63 H new ATOM 0 HH12 ARG A 34 11.548 -12.522 -4.070 1.00 3.63 H new ATOM 0 HH21 ARG A 34 8.179 -11.983 -3.209 1.00 3.94 H new ATOM 0 HH22 ARG A 34 9.638 -12.925 -2.888 1.00 3.94 H new ATOM 506 N PHE A 35 7.873 -5.825 -2.196 1.00 0.25 N ATOM 507 CA PHE A 35 8.008 -5.225 -0.872 1.00 0.24 C ATOM 508 C PHE A 35 9.270 -5.682 -0.155 1.00 0.27 C ATOM 509 O PHE A 35 9.995 -4.857 0.389 1.00 0.29 O ATOM 510 CB PHE A 35 6.775 -5.438 0.006 1.00 0.26 C ATOM 511 CG PHE A 35 5.501 -4.939 -0.602 1.00 0.26 C ATOM 512 CD1 PHE A 35 5.278 -3.595 -0.720 1.00 0.32 C ATOM 513 CD2 PHE A 35 4.529 -5.817 -1.049 1.00 0.27 C ATOM 514 CE1 PHE A 35 4.116 -3.115 -1.268 1.00 0.35 C ATOM 515 CE2 PHE A 35 3.358 -5.340 -1.602 1.00 0.32 C ATOM 516 CZ PHE A 35 3.143 -4.057 -1.734 1.00 0.35 C ATOM 0 H PHE A 35 7.010 -6.349 -2.337 1.00 0.25 H new ATOM 0 HA PHE A 35 8.096 -4.153 -1.047 1.00 0.24 H new ATOM 0 HB2 PHE A 35 6.672 -6.502 0.218 1.00 0.26 H new ATOM 0 HB3 PHE A 35 6.931 -4.936 0.961 1.00 0.26 H new ATOM 0 HD1 PHE A 35 6.030 -2.900 -0.376 1.00 0.32 H new ATOM 0 HD2 PHE A 35 4.688 -6.882 -0.965 1.00 0.27 H new ATOM 0 HE1 PHE A 35 3.939 -2.052 -1.346 1.00 0.35 H new ATOM 0 HE2 PHE A 35 2.605 -6.040 -1.932 1.00 0.32 H new ATOM 0 HZ PHE A 35 2.231 -3.707 -2.195 1.00 0.35 H new ATOM 526 N GLU A 36 9.558 -6.980 -0.174 1.00 0.37 N ATOM 527 CA GLU A 36 10.787 -7.485 0.464 1.00 0.47 C ATOM 528 C GLU A 36 12.043 -6.873 -0.177 1.00 0.46 C ATOM 529 O GLU A 36 13.046 -6.608 0.488 1.00 0.51 O ATOM 530 CB GLU A 36 10.873 -9.003 0.428 1.00 0.64 C ATOM 531 CG GLU A 36 10.907 -9.600 -0.962 1.00 1.56 C ATOM 532 CD GLU A 36 11.249 -11.050 -0.925 1.00 2.12 C ATOM 533 OE1 GLU A 36 10.345 -11.870 -0.705 1.00 2.45 O ATOM 534 OE2 GLU A 36 12.424 -11.399 -1.128 1.00 2.79 O ATOM 0 H GLU A 36 8.976 -7.694 -0.612 1.00 0.37 H new ATOM 0 HA GLU A 36 10.739 -7.177 1.509 1.00 0.47 H new ATOM 0 HB2 GLU A 36 11.768 -9.316 0.965 1.00 0.64 H new ATOM 0 HB3 GLU A 36 10.019 -9.415 0.965 1.00 0.64 H new ATOM 0 HG2 GLU A 36 9.937 -9.466 -1.441 1.00 1.56 H new ATOM 0 HG3 GLU A 36 11.639 -9.068 -1.570 1.00 1.56 H new ATOM 541 N ASP A 37 11.935 -6.581 -1.454 1.00 0.44 N ATOM 542 CA ASP A 37 13.042 -6.082 -2.244 1.00 0.50 C ATOM 543 C ASP A 37 13.204 -4.579 -2.023 1.00 0.48 C ATOM 544 O ASP A 37 14.251 -4.000 -2.295 1.00 0.60 O ATOM 545 CB ASP A 37 12.806 -6.443 -3.725 1.00 0.57 C ATOM 546 CG ASP A 37 13.914 -6.021 -4.669 1.00 0.68 C ATOM 547 OD1 ASP A 37 15.093 -6.069 -4.260 1.00 0.74 O ATOM 548 OD2 ASP A 37 13.632 -5.579 -5.801 1.00 0.88 O ATOM 0 H ASP A 37 11.067 -6.684 -1.980 1.00 0.44 H new ATOM 0 HA ASP A 37 13.976 -6.549 -1.933 1.00 0.50 H new ATOM 0 HB2 ASP A 37 12.672 -7.522 -3.804 1.00 0.57 H new ATOM 0 HB3 ASP A 37 11.874 -5.982 -4.052 1.00 0.57 H new ATOM 553 N ILE A 38 12.161 -3.951 -1.499 1.00 0.40 N ATOM 554 CA ILE A 38 12.245 -2.555 -1.108 1.00 0.42 C ATOM 555 C ILE A 38 12.411 -2.402 0.409 1.00 0.42 C ATOM 556 O ILE A 38 12.285 -1.310 0.960 1.00 0.50 O ATOM 557 CB ILE A 38 11.087 -1.661 -1.643 1.00 0.47 C ATOM 558 CG1 ILE A 38 9.714 -2.168 -1.183 1.00 0.47 C ATOM 559 CG2 ILE A 38 11.158 -1.572 -3.155 1.00 0.56 C ATOM 560 CD1 ILE A 38 8.546 -1.317 -1.647 1.00 0.60 C ATOM 0 H ILE A 38 11.252 -4.385 -1.336 1.00 0.40 H new ATOM 0 HA ILE A 38 13.145 -2.182 -1.597 1.00 0.42 H new ATOM 0 HB ILE A 38 11.211 -0.662 -1.225 1.00 0.47 H new ATOM 0 HG12 ILE A 38 9.575 -3.186 -1.548 1.00 0.47 H new ATOM 0 HG13 ILE A 38 9.704 -2.216 -0.094 1.00 0.47 H new ATOM 0 HG21 ILE A 38 10.345 -0.945 -3.521 1.00 0.56 H new ATOM 0 HG22 ILE A 38 12.113 -1.136 -3.449 1.00 0.56 H new ATOM 0 HG23 ILE A 38 11.067 -2.570 -3.583 1.00 0.56 H new ATOM 0 HD11 ILE A 38 7.614 -1.746 -1.278 1.00 0.60 H new ATOM 0 HD12 ILE A 38 8.657 -0.304 -1.260 1.00 0.60 H new ATOM 0 HD13 ILE A 38 8.526 -1.289 -2.736 1.00 0.60 H new ATOM 572 N GLY A 39 12.748 -3.506 1.064 1.00 0.42 N ATOM 573 CA GLY A 39 13.041 -3.490 2.491 1.00 0.50 C ATOM 574 C GLY A 39 11.809 -3.423 3.378 1.00 0.47 C ATOM 575 O GLY A 39 11.902 -3.073 4.558 1.00 0.66 O ATOM 0 H GLY A 39 12.825 -4.425 0.629 1.00 0.42 H new ATOM 0 HA2 GLY A 39 13.609 -4.385 2.744 1.00 0.50 H new ATOM 0 HA3 GLY A 39 13.680 -2.634 2.710 1.00 0.50 H new ATOM 579 N TYR A 40 10.675 -3.760 2.838 1.00 0.36 N ATOM 580 CA TYR A 40 9.438 -3.728 3.581 1.00 0.36 C ATOM 581 C TYR A 40 9.056 -5.089 4.086 1.00 0.42 C ATOM 582 O TYR A 40 9.060 -6.064 3.332 1.00 0.59 O ATOM 583 CB TYR A 40 8.302 -3.165 2.734 1.00 0.36 C ATOM 584 CG TYR A 40 8.178 -1.669 2.767 1.00 0.49 C ATOM 585 CD1 TYR A 40 9.176 -0.884 2.221 1.00 0.70 C ATOM 586 CD2 TYR A 40 7.082 -1.040 3.340 1.00 0.64 C ATOM 587 CE1 TYR A 40 9.099 0.482 2.237 1.00 0.95 C ATOM 588 CE2 TYR A 40 6.988 0.334 3.365 1.00 0.90 C ATOM 589 CZ TYR A 40 7.903 1.087 2.842 1.00 1.04 C ATOM 590 OH TYR A 40 7.902 2.467 2.842 1.00 1.33 O ATOM 0 H TYR A 40 10.576 -4.066 1.870 1.00 0.36 H new ATOM 0 HA TYR A 40 9.604 -3.075 4.438 1.00 0.36 H new ATOM 0 HB2 TYR A 40 8.446 -3.482 1.701 1.00 0.36 H new ATOM 0 HB3 TYR A 40 7.363 -3.602 3.073 1.00 0.36 H new ATOM 0 HD1 TYR A 40 10.036 -1.359 1.772 1.00 0.70 H new ATOM 0 HD2 TYR A 40 6.292 -1.636 3.772 1.00 0.64 H new ATOM 0 HE1 TYR A 40 9.887 1.093 1.821 1.00 0.95 H new ATOM 0 HE2 TYR A 40 6.130 0.795 3.832 1.00 0.90 H new ATOM 0 HH TYR A 40 7.292 2.794 3.536 1.00 1.33 H new ATOM 600 N ASP A 41 8.786 -5.171 5.363 1.00 0.42 N ATOM 601 CA ASP A 41 8.252 -6.389 5.941 1.00 0.51 C ATOM 602 C ASP A 41 6.765 -6.330 5.847 1.00 0.44 C ATOM 603 O ASP A 41 6.186 -5.225 5.848 1.00 0.38 O ATOM 604 CB ASP A 41 8.613 -6.557 7.416 1.00 0.67 C ATOM 605 CG ASP A 41 10.082 -6.723 7.683 1.00 0.89 C ATOM 606 OD1 ASP A 41 10.569 -7.869 7.679 1.00 1.06 O ATOM 607 OD2 ASP A 41 10.773 -5.720 7.943 1.00 0.99 O ATOM 0 H ASP A 41 8.925 -4.410 6.028 1.00 0.42 H new ATOM 0 HA ASP A 41 8.680 -7.228 5.392 1.00 0.51 H new ATOM 0 HB2 ASP A 41 8.253 -5.688 7.966 1.00 0.67 H new ATOM 0 HB3 ASP A 41 8.085 -7.425 7.810 1.00 0.67 H new ATOM 612 N SER A 42 6.140 -7.471 5.753 1.00 0.51 N ATOM 613 CA SER A 42 4.699 -7.575 5.740 1.00 0.48 C ATOM 614 C SER A 42 4.047 -6.877 6.951 1.00 0.41 C ATOM 615 O SER A 42 2.943 -6.368 6.849 1.00 0.37 O ATOM 616 CB SER A 42 4.280 -9.035 5.617 1.00 0.59 C ATOM 617 OG SER A 42 4.841 -9.838 6.659 1.00 1.03 O ATOM 0 H SER A 42 6.619 -8.369 5.682 1.00 0.51 H new ATOM 0 HA SER A 42 4.331 -7.042 4.863 1.00 0.48 H new ATOM 0 HB2 SER A 42 3.193 -9.105 5.649 1.00 0.59 H new ATOM 0 HB3 SER A 42 4.596 -9.423 4.649 1.00 0.59 H new ATOM 0 HG SER A 42 4.549 -10.767 6.549 1.00 1.03 H new ATOM 623 N LEU A 43 4.778 -6.811 8.070 1.00 0.45 N ATOM 624 CA LEU A 43 4.293 -6.190 9.303 1.00 0.46 C ATOM 625 C LEU A 43 4.027 -4.694 9.051 1.00 0.41 C ATOM 626 O LEU A 43 2.889 -4.226 9.190 1.00 0.41 O ATOM 627 CB LEU A 43 5.354 -6.408 10.427 1.00 0.59 C ATOM 628 CG LEU A 43 4.958 -6.138 11.906 1.00 0.75 C ATOM 629 CD1 LEU A 43 4.688 -4.674 12.194 1.00 1.56 C ATOM 630 CD2 LEU A 43 3.768 -6.982 12.303 1.00 1.24 C ATOM 0 H LEU A 43 5.723 -7.188 8.144 1.00 0.45 H new ATOM 0 HA LEU A 43 3.356 -6.645 9.623 1.00 0.46 H new ATOM 0 HB2 LEU A 43 5.694 -7.442 10.362 1.00 0.59 H new ATOM 0 HB3 LEU A 43 6.211 -5.776 10.196 1.00 0.59 H new ATOM 0 HG LEU A 43 5.819 -6.421 12.511 1.00 0.75 H new ATOM 0 HD11 LEU A 43 4.417 -4.553 13.243 1.00 1.56 H new ATOM 0 HD12 LEU A 43 5.584 -4.090 11.981 1.00 1.56 H new ATOM 0 HD13 LEU A 43 3.869 -4.324 11.565 1.00 1.56 H new ATOM 0 HD21 LEU A 43 3.507 -6.778 13.341 1.00 1.24 H new ATOM 0 HD22 LEU A 43 2.920 -6.740 11.662 1.00 1.24 H new ATOM 0 HD23 LEU A 43 4.017 -8.037 12.192 1.00 1.24 H new ATOM 642 N ALA A 44 5.062 -3.966 8.631 1.00 0.39 N ATOM 643 CA ALA A 44 4.940 -2.536 8.327 1.00 0.39 C ATOM 644 C ALA A 44 3.938 -2.312 7.212 1.00 0.34 C ATOM 645 O ALA A 44 3.203 -1.331 7.209 1.00 0.40 O ATOM 646 CB ALA A 44 6.289 -1.950 7.932 1.00 0.43 C ATOM 0 H ALA A 44 5.999 -4.343 8.492 1.00 0.39 H new ATOM 0 HA ALA A 44 4.588 -2.031 9.227 1.00 0.39 H new ATOM 0 HB1 ALA A 44 6.174 -0.889 7.711 1.00 0.43 H new ATOM 0 HB2 ALA A 44 6.995 -2.075 8.753 1.00 0.43 H new ATOM 0 HB3 ALA A 44 6.665 -2.466 7.049 1.00 0.43 H new ATOM 652 N LEU A 45 3.898 -3.248 6.290 1.00 0.29 N ATOM 653 CA LEU A 45 2.996 -3.207 5.158 1.00 0.28 C ATOM 654 C LEU A 45 1.524 -3.245 5.627 1.00 0.25 C ATOM 655 O LEU A 45 0.689 -2.466 5.157 1.00 0.26 O ATOM 656 CB LEU A 45 3.307 -4.384 4.235 1.00 0.30 C ATOM 657 CG LEU A 45 2.469 -4.523 2.974 1.00 0.33 C ATOM 658 CD1 LEU A 45 2.612 -3.293 2.102 1.00 0.43 C ATOM 659 CD2 LEU A 45 2.903 -5.755 2.217 1.00 0.38 C ATOM 0 H LEU A 45 4.500 -4.072 6.305 1.00 0.29 H new ATOM 0 HA LEU A 45 3.139 -2.274 4.613 1.00 0.28 H new ATOM 0 HB2 LEU A 45 4.353 -4.312 3.938 1.00 0.30 H new ATOM 0 HB3 LEU A 45 3.202 -5.302 4.813 1.00 0.30 H new ATOM 0 HG LEU A 45 1.420 -4.621 3.253 1.00 0.33 H new ATOM 0 HD11 LEU A 45 2.005 -3.411 1.204 1.00 0.43 H new ATOM 0 HD12 LEU A 45 2.277 -2.415 2.654 1.00 0.43 H new ATOM 0 HD13 LEU A 45 3.657 -3.167 1.819 1.00 0.43 H new ATOM 0 HD21 LEU A 45 2.303 -5.856 1.313 1.00 0.38 H new ATOM 0 HD22 LEU A 45 3.955 -5.664 1.947 1.00 0.38 H new ATOM 0 HD23 LEU A 45 2.765 -6.635 2.845 1.00 0.38 H new ATOM 671 N MET A 46 1.218 -4.133 6.566 1.00 0.24 N ATOM 672 CA MET A 46 -0.140 -4.227 7.122 1.00 0.23 C ATOM 673 C MET A 46 -0.509 -2.944 7.848 1.00 0.25 C ATOM 674 O MET A 46 -1.625 -2.465 7.734 1.00 0.27 O ATOM 675 CB MET A 46 -0.300 -5.415 8.063 1.00 0.27 C ATOM 676 CG MET A 46 -0.011 -6.756 7.420 1.00 0.34 C ATOM 677 SD MET A 46 -0.027 -8.112 8.601 1.00 0.50 S ATOM 678 CE MET A 46 0.437 -9.473 7.541 1.00 1.49 C ATOM 0 H MET A 46 1.883 -4.798 6.961 1.00 0.24 H new ATOM 0 HA MET A 46 -0.816 -4.378 6.280 1.00 0.23 H new ATOM 0 HB2 MET A 46 0.366 -5.282 8.916 1.00 0.27 H new ATOM 0 HB3 MET A 46 -1.318 -5.422 8.452 1.00 0.27 H new ATOM 0 HG2 MET A 46 -0.751 -6.948 6.643 1.00 0.34 H new ATOM 0 HG3 MET A 46 0.962 -6.717 6.931 1.00 0.34 H new ATOM 0 HE1 MET A 46 0.335 -10.411 8.087 1.00 1.49 H new ATOM 0 HE2 MET A 46 -0.213 -9.491 6.666 1.00 1.49 H new ATOM 0 HE3 MET A 46 1.472 -9.349 7.222 1.00 1.49 H new ATOM 688 N GLU A 47 0.447 -2.390 8.586 1.00 0.29 N ATOM 689 CA GLU A 47 0.266 -1.118 9.302 1.00 0.34 C ATOM 690 C GLU A 47 0.036 0.046 8.315 1.00 0.32 C ATOM 691 O GLU A 47 -0.675 1.016 8.606 1.00 0.36 O ATOM 692 CB GLU A 47 1.462 -0.861 10.228 1.00 0.45 C ATOM 693 CG GLU A 47 1.436 0.477 10.941 1.00 0.58 C ATOM 694 CD GLU A 47 2.485 0.580 12.008 1.00 1.03 C ATOM 695 OE1 GLU A 47 3.666 0.755 11.682 1.00 1.88 O ATOM 696 OE2 GLU A 47 2.156 0.500 13.206 1.00 1.25 O ATOM 0 H GLU A 47 1.371 -2.804 8.709 1.00 0.29 H new ATOM 0 HA GLU A 47 -0.628 -1.185 9.922 1.00 0.34 H new ATOM 0 HB2 GLU A 47 1.503 -1.654 10.974 1.00 0.45 H new ATOM 0 HB3 GLU A 47 2.379 -0.927 9.642 1.00 0.45 H new ATOM 0 HG2 GLU A 47 1.583 1.275 10.214 1.00 0.58 H new ATOM 0 HG3 GLU A 47 0.453 0.628 11.387 1.00 0.58 H new ATOM 703 N THR A 48 0.596 -0.102 7.146 1.00 0.30 N ATOM 704 CA THR A 48 0.448 0.850 6.071 1.00 0.33 C ATOM 705 C THR A 48 -1.004 0.830 5.655 1.00 0.29 C ATOM 706 O THR A 48 -1.697 1.867 5.641 1.00 0.33 O ATOM 707 CB THR A 48 1.344 0.455 4.872 1.00 0.36 C ATOM 708 OG1 THR A 48 2.724 0.416 5.274 1.00 0.42 O ATOM 709 CG2 THR A 48 1.180 1.439 3.732 1.00 0.45 C ATOM 0 H THR A 48 1.180 -0.903 6.906 1.00 0.30 H new ATOM 0 HA THR A 48 0.748 1.845 6.398 1.00 0.33 H new ATOM 0 HB THR A 48 1.037 -0.534 4.532 1.00 0.36 H new ATOM 0 HG1 THR A 48 2.838 -0.244 5.990 1.00 0.42 H new ATOM 0 HG21 THR A 48 1.819 1.142 2.900 1.00 0.45 H new ATOM 0 HG22 THR A 48 0.140 1.448 3.406 1.00 0.45 H new ATOM 0 HG23 THR A 48 1.463 2.436 4.069 1.00 0.45 H new ATOM 717 N ALA A 49 -1.451 -0.372 5.335 1.00 0.25 N ATOM 718 CA ALA A 49 -2.812 -0.642 4.981 1.00 0.24 C ATOM 719 C ALA A 49 -3.758 -0.216 6.104 1.00 0.22 C ATOM 720 O ALA A 49 -4.843 0.238 5.839 1.00 0.23 O ATOM 721 CB ALA A 49 -2.970 -2.123 4.673 1.00 0.27 C ATOM 0 H ALA A 49 -0.854 -1.199 5.317 1.00 0.25 H new ATOM 0 HA ALA A 49 -3.071 -0.065 4.093 1.00 0.24 H new ATOM 0 HB1 ALA A 49 -4.006 -2.330 4.403 1.00 0.27 H new ATOM 0 HB2 ALA A 49 -2.318 -2.394 3.843 1.00 0.27 H new ATOM 0 HB3 ALA A 49 -2.700 -2.708 5.552 1.00 0.27 H new ATOM 727 N ALA A 50 -3.305 -0.348 7.354 1.00 0.23 N ATOM 728 CA ALA A 50 -4.086 0.000 8.529 1.00 0.26 C ATOM 729 C ALA A 50 -4.543 1.453 8.509 1.00 0.28 C ATOM 730 O ALA A 50 -5.721 1.758 8.745 1.00 0.30 O ATOM 731 CB ALA A 50 -3.334 -0.304 9.814 1.00 0.33 C ATOM 0 H ALA A 50 -2.375 -0.704 7.574 1.00 0.23 H new ATOM 0 HA ALA A 50 -4.978 -0.626 8.500 1.00 0.26 H new ATOM 0 HB1 ALA A 50 -3.951 -0.030 10.670 1.00 0.33 H new ATOM 0 HB2 ALA A 50 -3.104 -1.369 9.858 1.00 0.33 H new ATOM 0 HB3 ALA A 50 -2.407 0.268 9.837 1.00 0.33 H new ATOM 737 N ARG A 51 -3.613 2.350 8.201 1.00 0.31 N ATOM 738 CA ARG A 51 -3.925 3.779 8.113 1.00 0.37 C ATOM 739 C ARG A 51 -4.902 4.024 6.970 1.00 0.36 C ATOM 740 O ARG A 51 -5.796 4.863 7.061 1.00 0.40 O ATOM 741 CB ARG A 51 -2.652 4.606 7.913 1.00 0.45 C ATOM 742 CG ARG A 51 -1.660 4.502 9.058 1.00 0.54 C ATOM 743 CD ARG A 51 -0.389 5.291 8.785 1.00 0.70 C ATOM 744 NE ARG A 51 -0.624 6.737 8.603 1.00 1.59 N ATOM 745 CZ ARG A 51 0.322 7.683 8.739 1.00 1.76 C ATOM 746 NH1 ARG A 51 1.502 7.388 9.294 1.00 1.27 N ATOM 747 NH2 ARG A 51 0.061 8.925 8.375 1.00 2.84 N ATOM 0 H ARG A 51 -2.639 2.118 8.008 1.00 0.31 H new ATOM 0 HA ARG A 51 -4.385 4.092 9.050 1.00 0.37 H new ATOM 0 HB2 ARG A 51 -2.164 4.285 6.993 1.00 0.45 H new ATOM 0 HB3 ARG A 51 -2.928 5.652 7.779 1.00 0.45 H new ATOM 0 HG2 ARG A 51 -2.124 4.868 9.974 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -1.408 3.455 9.225 1.00 0.54 H new ATOM 0 HD2 ARG A 51 0.305 5.145 9.612 1.00 0.70 H new ATOM 0 HD3 ARG A 51 0.092 4.893 7.891 1.00 0.70 H new ATOM 0 HE ARG A 51 -1.567 7.039 8.358 1.00 1.59 H new ATOM 0 HH11 ARG A 51 1.690 6.439 9.618 1.00 1.27 H new ATOM 0 HH12 ARG A 51 2.214 8.112 9.393 1.00 1.27 H new ATOM 0 HH21 ARG A 51 -0.854 9.163 7.993 1.00 2.84 H new ATOM 0 HH22 ARG A 51 0.775 9.647 8.476 1.00 2.84 H new ATOM 761 N LEU A 52 -4.738 3.256 5.911 1.00 0.32 N ATOM 762 CA LEU A 52 -5.597 3.320 4.754 1.00 0.34 C ATOM 763 C LEU A 52 -7.007 2.846 5.115 1.00 0.33 C ATOM 764 O LEU A 52 -8.000 3.479 4.730 1.00 0.37 O ATOM 765 CB LEU A 52 -4.990 2.486 3.631 1.00 0.35 C ATOM 766 CG LEU A 52 -3.590 2.921 3.189 1.00 0.43 C ATOM 767 CD1 LEU A 52 -3.016 1.958 2.166 1.00 0.90 C ATOM 768 CD2 LEU A 52 -3.625 4.337 2.634 1.00 0.69 C ATOM 0 H LEU A 52 -3.994 2.563 5.833 1.00 0.32 H new ATOM 0 HA LEU A 52 -5.680 4.351 4.409 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -4.946 1.446 3.954 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -5.656 2.525 2.769 1.00 0.35 H new ATOM 0 HG LEU A 52 -2.939 2.907 4.063 1.00 0.43 H new ATOM 0 HD11 LEU A 52 -2.021 2.292 1.870 1.00 0.90 H new ATOM 0 HD12 LEU A 52 -2.950 0.961 2.602 1.00 0.90 H new ATOM 0 HD13 LEU A 52 -3.664 1.929 1.290 1.00 0.90 H new ATOM 0 HD21 LEU A 52 -2.622 4.631 2.324 1.00 0.69 H new ATOM 0 HD22 LEU A 52 -4.296 4.375 1.776 1.00 0.69 H new ATOM 0 HD23 LEU A 52 -3.982 5.021 3.404 1.00 0.69 H new ATOM 780 N GLU A 53 -7.076 1.747 5.883 1.00 0.29 N ATOM 781 CA GLU A 53 -8.334 1.200 6.391 1.00 0.32 C ATOM 782 C GLU A 53 -9.071 2.275 7.150 1.00 0.35 C ATOM 783 O GLU A 53 -10.231 2.589 6.850 1.00 0.42 O ATOM 784 CB GLU A 53 -8.095 0.028 7.363 1.00 0.32 C ATOM 785 CG GLU A 53 -7.435 -1.201 6.779 1.00 0.34 C ATOM 786 CD GLU A 53 -7.267 -2.288 7.822 1.00 0.40 C ATOM 787 OE1 GLU A 53 -8.225 -3.054 8.053 1.00 0.48 O ATOM 788 OE2 GLU A 53 -6.200 -2.375 8.459 1.00 0.46 O ATOM 0 H GLU A 53 -6.254 1.214 6.168 1.00 0.29 H new ATOM 0 HA GLU A 53 -8.907 0.845 5.535 1.00 0.32 H new ATOM 0 HB2 GLU A 53 -7.480 0.387 8.188 1.00 0.32 H new ATOM 0 HB3 GLU A 53 -9.055 -0.267 7.786 1.00 0.32 H new ATOM 0 HG2 GLU A 53 -8.035 -1.579 5.951 1.00 0.34 H new ATOM 0 HG3 GLU A 53 -6.461 -0.933 6.371 1.00 0.34 H new ATOM 795 N SER A 54 -8.376 2.860 8.107 1.00 0.35 N ATOM 796 CA SER A 54 -8.942 3.888 8.946 1.00 0.41 C ATOM 797 C SER A 54 -9.355 5.140 8.151 1.00 0.45 C ATOM 798 O SER A 54 -10.427 5.681 8.376 1.00 0.55 O ATOM 799 CB SER A 54 -7.971 4.236 10.061 1.00 0.47 C ATOM 800 OG SER A 54 -7.671 3.073 10.832 1.00 1.19 O ATOM 0 H SER A 54 -7.405 2.633 8.321 1.00 0.35 H new ATOM 0 HA SER A 54 -9.859 3.492 9.383 1.00 0.41 H new ATOM 0 HB2 SER A 54 -7.054 4.649 9.640 1.00 0.47 H new ATOM 0 HB3 SER A 54 -8.402 5.005 10.702 1.00 0.47 H new ATOM 0 HG SER A 54 -7.037 2.510 10.341 1.00 1.19 H new ATOM 806 N ARG A 55 -8.526 5.573 7.213 1.00 0.44 N ATOM 807 CA ARG A 55 -8.830 6.762 6.418 1.00 0.54 C ATOM 808 C ARG A 55 -10.064 6.573 5.529 1.00 0.56 C ATOM 809 O ARG A 55 -10.907 7.453 5.436 1.00 0.68 O ATOM 810 CB ARG A 55 -7.625 7.191 5.558 1.00 0.63 C ATOM 811 CG ARG A 55 -7.904 8.413 4.674 1.00 0.83 C ATOM 812 CD ARG A 55 -6.719 8.766 3.791 1.00 1.08 C ATOM 813 NE ARG A 55 -5.568 9.244 4.557 1.00 1.65 N ATOM 814 CZ ARG A 55 -4.304 8.851 4.368 1.00 2.21 C ATOM 815 NH1 ARG A 55 -4.022 7.898 3.490 1.00 2.35 N ATOM 816 NH2 ARG A 55 -3.324 9.420 5.048 1.00 3.07 N ATOM 0 H ARG A 55 -7.640 5.124 6.981 1.00 0.44 H new ATOM 0 HA ARG A 55 -9.052 7.554 7.133 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -6.782 7.412 6.213 1.00 0.63 H new ATOM 0 HB3 ARG A 55 -7.326 6.356 4.925 1.00 0.63 H new ATOM 0 HG2 ARG A 55 -8.775 8.216 4.049 1.00 0.83 H new ATOM 0 HG3 ARG A 55 -8.152 9.267 5.305 1.00 0.83 H new ATOM 0 HD2 ARG A 55 -6.427 7.889 3.213 1.00 1.08 H new ATOM 0 HD3 ARG A 55 -7.019 9.533 3.077 1.00 1.08 H new ATOM 0 HE ARG A 55 -5.743 9.930 5.292 1.00 1.65 H new ATOM 0 HH11 ARG A 55 -4.771 7.460 2.954 1.00 2.35 H new ATOM 0 HH12 ARG A 55 -3.056 7.603 3.351 1.00 2.35 H new ATOM 0 HH21 ARG A 55 -3.531 10.160 5.718 1.00 3.07 H new ATOM 0 HH22 ARG A 55 -2.360 9.119 4.902 1.00 3.07 H new ATOM 830 N TYR A 56 -10.178 5.433 4.899 1.00 0.50 N ATOM 831 CA TYR A 56 -11.244 5.238 3.929 1.00 0.57 C ATOM 832 C TYR A 56 -12.475 4.538 4.495 1.00 0.61 C ATOM 833 O TYR A 56 -13.467 4.347 3.784 1.00 0.74 O ATOM 834 CB TYR A 56 -10.708 4.532 2.688 1.00 0.62 C ATOM 835 CG TYR A 56 -9.643 5.340 1.983 1.00 0.67 C ATOM 836 CD1 TYR A 56 -9.941 6.544 1.360 1.00 0.75 C ATOM 837 CD2 TYR A 56 -8.342 4.878 1.921 1.00 0.74 C ATOM 838 CE1 TYR A 56 -8.965 7.261 0.701 1.00 0.85 C ATOM 839 CE2 TYR A 56 -7.367 5.588 1.270 1.00 0.85 C ATOM 840 CZ TYR A 56 -7.707 6.865 0.722 1.00 0.91 C ATOM 841 OH TYR A 56 -6.700 7.470 0.000 1.00 1.01 O ATOM 0 H TYR A 56 -9.561 4.632 5.031 1.00 0.50 H new ATOM 0 HA TYR A 56 -11.593 6.231 3.646 1.00 0.57 H new ATOM 0 HB2 TYR A 56 -10.297 3.563 2.973 1.00 0.62 H new ATOM 0 HB3 TYR A 56 -11.530 4.339 1.999 1.00 0.62 H new ATOM 0 HD1 TYR A 56 -10.951 6.924 1.392 1.00 0.75 H new ATOM 0 HD2 TYR A 56 -8.089 3.941 2.394 1.00 0.74 H new ATOM 0 HE1 TYR A 56 -9.234 8.157 0.161 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -6.366 5.193 1.173 1.00 0.85 H new ATOM 0 HH TYR A 56 -6.874 7.361 -0.958 1.00 1.01 H new ATOM 851 N GLY A 57 -12.429 4.195 5.766 1.00 0.58 N ATOM 852 CA GLY A 57 -13.556 3.535 6.401 1.00 0.66 C ATOM 853 C GLY A 57 -13.758 2.148 5.849 1.00 0.71 C ATOM 854 O GLY A 57 -14.876 1.756 5.480 1.00 0.93 O ATOM 0 H GLY A 57 -11.630 4.360 6.378 1.00 0.58 H new ATOM 0 HA2 GLY A 57 -13.389 3.480 7.477 1.00 0.66 H new ATOM 0 HA3 GLY A 57 -14.460 4.125 6.248 1.00 0.66 H new ATOM 858 N VAL A 58 -12.693 1.416 5.781 1.00 0.60 N ATOM 859 CA VAL A 58 -12.708 0.098 5.228 1.00 0.65 C ATOM 860 C VAL A 58 -11.827 -0.786 6.114 1.00 0.60 C ATOM 861 O VAL A 58 -11.233 -0.280 7.074 1.00 0.70 O ATOM 862 CB VAL A 58 -12.203 0.130 3.730 1.00 0.69 C ATOM 863 CG1 VAL A 58 -10.736 0.536 3.619 1.00 1.09 C ATOM 864 CG2 VAL A 58 -12.484 -1.164 2.974 1.00 1.16 C ATOM 0 H VAL A 58 -11.777 1.719 6.112 1.00 0.60 H new ATOM 0 HA VAL A 58 -13.719 -0.309 5.208 1.00 0.65 H new ATOM 0 HB VAL A 58 -12.792 0.906 3.242 1.00 0.69 H new ATOM 0 HG11 VAL A 58 -10.439 0.543 2.570 1.00 1.09 H new ATOM 0 HG12 VAL A 58 -10.601 1.532 4.041 1.00 1.09 H new ATOM 0 HG13 VAL A 58 -10.119 -0.176 4.167 1.00 1.09 H new ATOM 0 HG21 VAL A 58 -12.113 -1.077 1.953 1.00 1.16 H new ATOM 0 HG22 VAL A 58 -11.982 -1.993 3.473 1.00 1.16 H new ATOM 0 HG23 VAL A 58 -13.558 -1.349 2.955 1.00 1.16 H new ATOM 874 N SER A 59 -11.759 -2.057 5.839 1.00 0.62 N ATOM 875 CA SER A 59 -10.886 -2.918 6.557 1.00 0.67 C ATOM 876 C SER A 59 -10.298 -3.932 5.594 1.00 0.59 C ATOM 877 O SER A 59 -10.972 -4.379 4.649 1.00 0.72 O ATOM 878 CB SER A 59 -11.605 -3.605 7.731 1.00 0.92 C ATOM 879 OG SER A 59 -10.671 -4.284 8.567 1.00 1.87 O ATOM 0 H SER A 59 -12.308 -2.517 5.113 1.00 0.62 H new ATOM 0 HA SER A 59 -10.081 -2.328 6.994 1.00 0.67 H new ATOM 0 HB2 SER A 59 -12.150 -2.863 8.314 1.00 0.92 H new ATOM 0 HB3 SER A 59 -12.340 -4.313 7.349 1.00 0.92 H new ATOM 0 HG SER A 59 -9.775 -3.913 8.426 1.00 1.87 H new ATOM 885 N ILE A 60 -9.064 -4.263 5.812 1.00 0.48 N ATOM 886 CA ILE A 60 -8.330 -5.187 4.997 1.00 0.45 C ATOM 887 C ILE A 60 -7.860 -6.313 5.898 1.00 0.51 C ATOM 888 O ILE A 60 -7.216 -6.050 6.915 1.00 0.57 O ATOM 889 CB ILE A 60 -7.080 -4.500 4.383 1.00 0.40 C ATOM 890 CG1 ILE A 60 -7.481 -3.243 3.603 1.00 0.40 C ATOM 891 CG2 ILE A 60 -6.320 -5.468 3.471 1.00 0.43 C ATOM 892 CD1 ILE A 60 -6.307 -2.394 3.188 1.00 0.41 C ATOM 0 H ILE A 60 -8.519 -3.886 6.588 1.00 0.48 H new ATOM 0 HA ILE A 60 -8.965 -5.550 4.189 1.00 0.45 H new ATOM 0 HB ILE A 60 -6.422 -4.207 5.201 1.00 0.40 H new ATOM 0 HG12 ILE A 60 -8.038 -3.539 2.714 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -8.154 -2.644 4.216 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -5.448 -4.965 3.052 1.00 0.43 H new ATOM 0 HG22 ILE A 60 -5.996 -6.334 4.049 1.00 0.43 H new ATOM 0 HG23 ILE A 60 -6.974 -5.795 2.662 1.00 0.43 H new ATOM 0 HD11 ILE A 60 -6.664 -1.522 2.641 1.00 0.41 H new ATOM 0 HD12 ILE A 60 -5.762 -2.068 4.074 1.00 0.41 H new ATOM 0 HD13 ILE A 60 -5.644 -2.977 2.549 1.00 0.41 H new ATOM 904 N PRO A 61 -8.209 -7.561 5.580 1.00 0.58 N ATOM 905 CA PRO A 61 -7.766 -8.719 6.355 1.00 0.66 C ATOM 906 C PRO A 61 -6.237 -8.837 6.349 1.00 0.56 C ATOM 907 O PRO A 61 -5.586 -8.615 5.301 1.00 0.44 O ATOM 908 CB PRO A 61 -8.402 -9.907 5.628 1.00 0.78 C ATOM 909 CG PRO A 61 -9.534 -9.318 4.871 1.00 0.87 C ATOM 910 CD PRO A 61 -9.079 -7.954 4.466 1.00 0.66 C ATOM 0 HA PRO A 61 -8.056 -8.656 7.404 1.00 0.66 H new ATOM 0 HB2 PRO A 61 -7.689 -10.392 4.962 1.00 0.78 H new ATOM 0 HB3 PRO A 61 -8.747 -10.664 6.332 1.00 0.78 H new ATOM 0 HG2 PRO A 61 -9.780 -9.924 3.999 1.00 0.87 H new ATOM 0 HG3 PRO A 61 -10.432 -9.265 5.486 1.00 0.87 H new ATOM 0 HD2 PRO A 61 -8.541 -7.971 3.518 1.00 0.66 H new ATOM 0 HD3 PRO A 61 -9.917 -7.267 4.344 1.00 0.66 H new ATOM 918 N ASP A 62 -5.679 -9.174 7.508 1.00 0.67 N ATOM 919 CA ASP A 62 -4.223 -9.301 7.714 1.00 0.67 C ATOM 920 C ASP A 62 -3.599 -10.242 6.690 1.00 0.54 C ATOM 921 O ASP A 62 -2.527 -9.968 6.162 1.00 0.52 O ATOM 922 CB ASP A 62 -3.872 -9.819 9.127 1.00 0.90 C ATOM 923 CG ASP A 62 -4.428 -8.995 10.274 1.00 1.18 C ATOM 924 OD1 ASP A 62 -3.836 -7.934 10.585 1.00 1.83 O ATOM 925 OD2 ASP A 62 -5.473 -9.356 10.858 1.00 1.29 O ATOM 0 H ASP A 62 -6.225 -9.371 8.347 1.00 0.67 H new ATOM 0 HA ASP A 62 -3.817 -8.296 7.595 1.00 0.67 H new ATOM 0 HB2 ASP A 62 -4.239 -10.841 9.223 1.00 0.90 H new ATOM 0 HB3 ASP A 62 -2.787 -9.860 9.222 1.00 0.90 H new ATOM 930 N ASP A 63 -4.309 -11.322 6.368 1.00 0.56 N ATOM 931 CA ASP A 63 -3.804 -12.333 5.427 1.00 0.55 C ATOM 932 C ASP A 63 -3.703 -11.773 4.020 1.00 0.44 C ATOM 933 O ASP A 63 -2.772 -12.092 3.291 1.00 0.46 O ATOM 934 CB ASP A 63 -4.677 -13.600 5.431 1.00 0.75 C ATOM 935 CG ASP A 63 -4.197 -14.654 4.440 1.00 1.54 C ATOM 936 OD1 ASP A 63 -3.153 -15.294 4.686 1.00 1.84 O ATOM 937 OD2 ASP A 63 -4.868 -14.889 3.410 1.00 2.34 O ATOM 0 H ASP A 63 -5.236 -11.524 6.742 1.00 0.56 H new ATOM 0 HA ASP A 63 -2.805 -12.609 5.764 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -4.684 -14.027 6.434 1.00 0.75 H new ATOM 0 HB3 ASP A 63 -5.705 -13.327 5.194 1.00 0.75 H new ATOM 942 N VAL A 64 -4.613 -10.890 3.673 1.00 0.41 N ATOM 943 CA VAL A 64 -4.602 -10.255 2.360 1.00 0.40 C ATOM 944 C VAL A 64 -3.455 -9.249 2.330 1.00 0.34 C ATOM 945 O VAL A 64 -2.607 -9.273 1.429 1.00 0.41 O ATOM 946 CB VAL A 64 -5.946 -9.523 2.088 1.00 0.52 C ATOM 947 CG1 VAL A 64 -5.936 -8.836 0.725 1.00 0.65 C ATOM 948 CG2 VAL A 64 -7.108 -10.499 2.172 1.00 0.66 C ATOM 0 H VAL A 64 -5.376 -10.590 4.280 1.00 0.41 H new ATOM 0 HA VAL A 64 -4.470 -11.014 1.589 1.00 0.40 H new ATOM 0 HB VAL A 64 -6.069 -8.757 2.854 1.00 0.52 H new ATOM 0 HG11 VAL A 64 -6.890 -8.333 0.564 1.00 0.65 H new ATOM 0 HG12 VAL A 64 -5.129 -8.104 0.693 1.00 0.65 H new ATOM 0 HG13 VAL A 64 -5.782 -9.580 -0.056 1.00 0.65 H new ATOM 0 HG21 VAL A 64 -8.042 -9.971 1.979 1.00 0.66 H new ATOM 0 HG22 VAL A 64 -6.976 -11.286 1.430 1.00 0.66 H new ATOM 0 HG23 VAL A 64 -7.140 -10.941 3.168 1.00 0.66 H new ATOM 958 N ALA A 65 -3.415 -8.407 3.355 1.00 0.33 N ATOM 959 CA ALA A 65 -2.389 -7.377 3.513 1.00 0.39 C ATOM 960 C ALA A 65 -0.966 -7.965 3.536 1.00 0.41 C ATOM 961 O ALA A 65 -0.005 -7.292 3.196 1.00 0.51 O ATOM 962 CB ALA A 65 -2.653 -6.572 4.779 1.00 0.46 C ATOM 0 H ALA A 65 -4.101 -8.418 4.110 1.00 0.33 H new ATOM 0 HA ALA A 65 -2.447 -6.721 2.645 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -1.885 -5.807 4.890 1.00 0.46 H new ATOM 0 HB2 ALA A 65 -3.632 -6.097 4.711 1.00 0.46 H new ATOM 0 HB3 ALA A 65 -2.632 -7.236 5.643 1.00 0.46 H new ATOM 968 N GLY A 66 -0.843 -9.212 3.947 1.00 0.40 N ATOM 969 CA GLY A 66 0.451 -9.848 3.987 1.00 0.48 C ATOM 970 C GLY A 66 0.700 -10.794 2.827 1.00 0.48 C ATOM 971 O GLY A 66 1.756 -11.397 2.746 1.00 0.61 O ATOM 0 H GLY A 66 -1.619 -9.798 4.255 1.00 0.40 H new ATOM 0 HA2 GLY A 66 1.224 -9.080 3.990 1.00 0.48 H new ATOM 0 HA3 GLY A 66 0.546 -10.400 4.922 1.00 0.48 H new ATOM 975 N ARG A 67 -0.251 -10.919 1.920 1.00 0.43 N ATOM 976 CA ARG A 67 -0.088 -11.837 0.790 1.00 0.48 C ATOM 977 C ARG A 67 0.365 -11.081 -0.456 1.00 0.36 C ATOM 978 O ARG A 67 0.877 -11.667 -1.425 1.00 0.40 O ATOM 979 CB ARG A 67 -1.394 -12.586 0.499 1.00 0.64 C ATOM 980 CG ARG A 67 -1.274 -13.571 -0.638 1.00 1.16 C ATOM 981 CD ARG A 67 -2.578 -14.231 -0.963 1.00 1.45 C ATOM 982 NE ARG A 67 -2.461 -15.074 -2.149 1.00 2.16 N ATOM 983 CZ ARG A 67 -3.413 -15.882 -2.606 1.00 3.05 C ATOM 984 NH1 ARG A 67 -4.505 -16.107 -1.876 1.00 3.43 N ATOM 985 NH2 ARG A 67 -3.262 -16.487 -3.782 1.00 3.98 N ATOM 0 H ARG A 67 -1.134 -10.409 1.935 1.00 0.43 H new ATOM 0 HA ARG A 67 0.677 -12.565 1.060 1.00 0.48 H new ATOM 0 HB2 ARG A 67 -1.710 -13.115 1.398 1.00 0.64 H new ATOM 0 HB3 ARG A 67 -2.175 -11.863 0.264 1.00 0.64 H new ATOM 0 HG2 ARG A 67 -0.900 -13.056 -1.523 1.00 1.16 H new ATOM 0 HG3 ARG A 67 -0.539 -14.333 -0.379 1.00 1.16 H new ATOM 0 HD2 ARG A 67 -2.905 -14.834 -0.116 1.00 1.45 H new ATOM 0 HD3 ARG A 67 -3.342 -13.471 -1.127 1.00 1.45 H new ATOM 0 HE ARG A 67 -1.583 -15.041 -2.666 1.00 2.16 H new ATOM 0 HH11 ARG A 67 -4.611 -15.659 -0.966 1.00 3.43 H new ATOM 0 HH12 ARG A 67 -5.235 -16.727 -2.228 1.00 3.43 H new ATOM 0 HH21 ARG A 67 -2.417 -16.331 -4.331 1.00 3.98 H new ATOM 0 HH22 ARG A 67 -3.991 -17.107 -4.134 1.00 3.98 H new ATOM 999 N VAL A 68 0.209 -9.794 -0.416 1.00 0.33 N ATOM 1000 CA VAL A 68 0.562 -8.954 -1.533 1.00 0.34 C ATOM 1001 C VAL A 68 2.088 -8.824 -1.624 1.00 0.35 C ATOM 1002 O VAL A 68 2.748 -8.349 -0.703 1.00 0.44 O ATOM 1003 CB VAL A 68 -0.132 -7.568 -1.410 1.00 0.38 C ATOM 1004 CG1 VAL A 68 -1.637 -7.736 -1.559 1.00 0.38 C ATOM 1005 CG2 VAL A 68 0.172 -6.909 -0.072 1.00 0.41 C ATOM 0 H VAL A 68 -0.166 -9.290 0.388 1.00 0.33 H new ATOM 0 HA VAL A 68 0.209 -9.412 -2.457 1.00 0.34 H new ATOM 0 HB VAL A 68 0.255 -6.926 -2.202 1.00 0.38 H new ATOM 0 HG11 VAL A 68 -2.122 -6.764 -1.473 1.00 0.38 H new ATOM 0 HG12 VAL A 68 -1.860 -8.167 -2.535 1.00 0.38 H new ATOM 0 HG13 VAL A 68 -2.008 -8.398 -0.776 1.00 0.38 H new ATOM 0 HG21 VAL A 68 -0.329 -5.942 -0.020 1.00 0.41 H new ATOM 0 HG22 VAL A 68 -0.185 -7.546 0.737 1.00 0.41 H new ATOM 0 HG23 VAL A 68 1.248 -6.766 0.027 1.00 0.41 H new ATOM 1015 N ASP A 69 2.642 -9.373 -2.683 1.00 0.36 N ATOM 1016 CA ASP A 69 4.095 -9.374 -2.879 1.00 0.40 C ATOM 1017 C ASP A 69 4.557 -8.158 -3.622 1.00 0.32 C ATOM 1018 O ASP A 69 5.620 -7.586 -3.316 1.00 0.32 O ATOM 1019 CB ASP A 69 4.538 -10.630 -3.618 1.00 0.57 C ATOM 1020 CG ASP A 69 6.033 -10.715 -3.822 1.00 1.13 C ATOM 1021 OD1 ASP A 69 6.747 -11.139 -2.907 1.00 1.27 O ATOM 1022 OD2 ASP A 69 6.527 -10.313 -4.894 1.00 1.91 O ATOM 0 H ASP A 69 2.116 -9.828 -3.429 1.00 0.36 H new ATOM 0 HA ASP A 69 4.552 -9.360 -1.890 1.00 0.40 H new ATOM 0 HB2 ASP A 69 4.205 -11.506 -3.061 1.00 0.57 H new ATOM 0 HB3 ASP A 69 4.044 -10.663 -4.589 1.00 0.57 H new ATOM 1027 N THR A 70 3.790 -7.765 -4.584 1.00 0.32 N ATOM 1028 CA THR A 70 4.105 -6.629 -5.369 1.00 0.31 C ATOM 1029 C THR A 70 3.048 -5.541 -5.162 1.00 0.27 C ATOM 1030 O THR A 70 1.890 -5.843 -4.830 1.00 0.29 O ATOM 1031 CB THR A 70 4.227 -7.033 -6.846 1.00 0.41 C ATOM 1032 OG1 THR A 70 3.044 -7.736 -7.244 1.00 0.45 O ATOM 1033 CG2 THR A 70 5.439 -7.930 -7.037 1.00 0.47 C ATOM 0 H THR A 70 2.921 -8.230 -4.846 1.00 0.32 H new ATOM 0 HA THR A 70 5.066 -6.220 -5.055 1.00 0.31 H new ATOM 0 HB THR A 70 4.345 -6.138 -7.457 1.00 0.41 H new ATOM 0 HG1 THR A 70 3.231 -8.261 -8.050 1.00 0.45 H new ATOM 0 HG21 THR A 70 5.520 -8.213 -8.086 1.00 0.47 H new ATOM 0 HG22 THR A 70 6.339 -7.395 -6.735 1.00 0.47 H new ATOM 0 HG23 THR A 70 5.328 -8.826 -6.427 1.00 0.47 H new ATOM 1041 N PRO A 71 3.432 -4.273 -5.300 1.00 0.25 N ATOM 1042 CA PRO A 71 2.546 -3.135 -5.095 1.00 0.24 C ATOM 1043 C PRO A 71 1.261 -3.180 -5.911 1.00 0.21 C ATOM 1044 O PRO A 71 0.219 -2.816 -5.386 1.00 0.25 O ATOM 1045 CB PRO A 71 3.397 -1.938 -5.474 1.00 0.29 C ATOM 1046 CG PRO A 71 4.775 -2.395 -5.229 1.00 0.32 C ATOM 1047 CD PRO A 71 4.790 -3.835 -5.612 1.00 0.30 C ATOM 0 HA PRO A 71 2.185 -3.111 -4.067 1.00 0.24 H new ATOM 0 HB2 PRO A 71 3.249 -1.656 -6.516 1.00 0.29 H new ATOM 0 HB3 PRO A 71 3.152 -1.065 -4.869 1.00 0.29 H new ATOM 0 HG2 PRO A 71 5.489 -1.824 -5.822 1.00 0.32 H new ATOM 0 HG3 PRO A 71 5.052 -2.264 -4.183 1.00 0.32 H new ATOM 0 HD2 PRO A 71 5.025 -3.969 -6.668 1.00 0.30 H new ATOM 0 HD3 PRO A 71 5.535 -4.395 -5.046 1.00 0.30 H new ATOM 1055 N ARG A 72 1.320 -3.612 -7.197 1.00 0.22 N ATOM 1056 CA ARG A 72 0.082 -3.694 -8.013 1.00 0.26 C ATOM 1057 C ARG A 72 -0.996 -4.537 -7.323 1.00 0.25 C ATOM 1058 O ARG A 72 -2.168 -4.201 -7.377 1.00 0.29 O ATOM 1059 CB ARG A 72 0.273 -4.165 -9.485 1.00 0.40 C ATOM 1060 CG ARG A 72 0.698 -5.618 -9.687 1.00 0.92 C ATOM 1061 CD ARG A 72 2.194 -5.790 -9.646 1.00 0.95 C ATOM 1062 NE ARG A 72 2.848 -5.118 -10.778 1.00 0.67 N ATOM 1063 CZ ARG A 72 3.973 -5.531 -11.371 1.00 0.93 C ATOM 1064 NH1 ARG A 72 4.542 -6.673 -11.005 1.00 1.48 N ATOM 1065 NH2 ARG A 72 4.489 -4.811 -12.358 1.00 1.29 N ATOM 0 H ARG A 72 2.174 -3.898 -7.675 1.00 0.22 H new ATOM 0 HA ARG A 72 -0.247 -2.657 -8.084 1.00 0.26 H new ATOM 0 HB2 ARG A 72 -0.665 -4.007 -10.018 1.00 0.40 H new ATOM 0 HB3 ARG A 72 1.019 -3.523 -9.954 1.00 0.40 H new ATOM 0 HG2 ARG A 72 0.243 -6.238 -8.915 1.00 0.92 H new ATOM 0 HG3 ARG A 72 0.320 -5.974 -10.645 1.00 0.92 H new ATOM 0 HD2 ARG A 72 2.581 -5.387 -8.710 1.00 0.95 H new ATOM 0 HD3 ARG A 72 2.439 -6.852 -9.662 1.00 0.95 H new ATOM 0 HE ARG A 72 2.410 -4.271 -11.139 1.00 0.67 H new ATOM 0 HH11 ARG A 72 4.121 -7.239 -10.269 1.00 1.48 H new ATOM 0 HH12 ARG A 72 5.400 -6.984 -11.460 1.00 1.48 H new ATOM 0 HH21 ARG A 72 4.028 -3.952 -12.657 1.00 1.29 H new ATOM 0 HH22 ARG A 72 5.347 -5.116 -12.818 1.00 1.29 H new ATOM 1079 N GLU A 73 -0.561 -5.601 -6.636 1.00 0.24 N ATOM 1080 CA GLU A 73 -1.461 -6.503 -5.918 1.00 0.28 C ATOM 1081 C GLU A 73 -2.174 -5.732 -4.823 1.00 0.26 C ATOM 1082 O GLU A 73 -3.397 -5.676 -4.775 1.00 0.28 O ATOM 1083 CB GLU A 73 -0.647 -7.615 -5.255 1.00 0.34 C ATOM 1084 CG GLU A 73 0.158 -8.477 -6.199 1.00 0.44 C ATOM 1085 CD GLU A 73 -0.679 -9.439 -6.977 1.00 1.22 C ATOM 1086 OE1 GLU A 73 -0.968 -10.540 -6.484 1.00 1.24 O ATOM 1087 OE2 GLU A 73 -1.086 -9.095 -8.103 1.00 2.13 O ATOM 0 H GLU A 73 0.424 -5.858 -6.564 1.00 0.24 H new ATOM 0 HA GLU A 73 -2.179 -6.924 -6.622 1.00 0.28 H new ATOM 0 HB2 GLU A 73 0.033 -7.164 -4.532 1.00 0.34 H new ATOM 0 HB3 GLU A 73 -1.328 -8.256 -4.695 1.00 0.34 H new ATOM 0 HG2 GLU A 73 0.702 -7.835 -6.892 1.00 0.44 H new ATOM 0 HG3 GLU A 73 0.902 -9.032 -5.628 1.00 0.44 H new ATOM 1094 N LEU A 74 -1.380 -5.077 -3.999 1.00 0.26 N ATOM 1095 CA LEU A 74 -1.872 -4.359 -2.845 1.00 0.28 C ATOM 1096 C LEU A 74 -2.740 -3.189 -3.289 1.00 0.26 C ATOM 1097 O LEU A 74 -3.848 -3.010 -2.786 1.00 0.29 O ATOM 1098 CB LEU A 74 -0.649 -3.930 -1.967 1.00 0.31 C ATOM 1099 CG LEU A 74 -0.889 -3.200 -0.616 1.00 0.31 C ATOM 1100 CD1 LEU A 74 -1.191 -1.736 -0.813 1.00 0.81 C ATOM 1101 CD2 LEU A 74 -2.000 -3.874 0.187 1.00 0.90 C ATOM 0 H LEU A 74 -0.368 -5.029 -4.114 1.00 0.26 H new ATOM 0 HA LEU A 74 -2.512 -4.992 -2.231 1.00 0.28 H new ATOM 0 HB2 LEU A 74 -0.071 -4.829 -1.753 1.00 0.31 H new ATOM 0 HB3 LEU A 74 -0.020 -3.284 -2.579 1.00 0.31 H new ATOM 0 HG LEU A 74 0.038 -3.272 -0.047 1.00 0.31 H new ATOM 0 HD11 LEU A 74 -1.352 -1.264 0.156 1.00 0.81 H new ATOM 0 HD12 LEU A 74 -0.351 -1.256 -1.315 1.00 0.81 H new ATOM 0 HD13 LEU A 74 -2.088 -1.628 -1.423 1.00 0.81 H new ATOM 0 HD21 LEU A 74 -2.145 -3.341 1.127 1.00 0.90 H new ATOM 0 HD22 LEU A 74 -2.926 -3.855 -0.387 1.00 0.90 H new ATOM 0 HD23 LEU A 74 -1.723 -4.907 0.395 1.00 0.90 H new ATOM 1113 N LEU A 75 -2.253 -2.442 -4.256 1.00 0.23 N ATOM 1114 CA LEU A 75 -2.970 -1.305 -4.797 1.00 0.23 C ATOM 1115 C LEU A 75 -4.337 -1.727 -5.348 1.00 0.24 C ATOM 1116 O LEU A 75 -5.356 -1.198 -4.933 1.00 0.30 O ATOM 1117 CB LEU A 75 -2.135 -0.618 -5.889 1.00 0.23 C ATOM 1118 CG LEU A 75 -2.711 0.672 -6.478 1.00 0.28 C ATOM 1119 CD1 LEU A 75 -2.913 1.713 -5.391 1.00 0.34 C ATOM 1120 CD2 LEU A 75 -1.794 1.212 -7.559 1.00 0.34 C ATOM 0 H LEU A 75 -1.345 -2.606 -4.692 1.00 0.23 H new ATOM 0 HA LEU A 75 -3.140 -0.594 -3.989 1.00 0.23 H new ATOM 0 HB2 LEU A 75 -1.151 -0.395 -5.477 1.00 0.23 H new ATOM 0 HB3 LEU A 75 -1.986 -1.328 -6.703 1.00 0.23 H new ATOM 0 HG LEU A 75 -3.680 0.445 -6.922 1.00 0.28 H new ATOM 0 HD11 LEU A 75 -3.323 2.623 -5.830 1.00 0.34 H new ATOM 0 HD12 LEU A 75 -3.605 1.328 -4.642 1.00 0.34 H new ATOM 0 HD13 LEU A 75 -1.956 1.937 -4.920 1.00 0.34 H new ATOM 0 HD21 LEU A 75 -2.216 2.130 -7.969 1.00 0.34 H new ATOM 0 HD22 LEU A 75 -0.813 1.423 -7.132 1.00 0.34 H new ATOM 0 HD23 LEU A 75 -1.693 0.472 -8.353 1.00 0.34 H new ATOM 1132 N ASP A 76 -4.347 -2.731 -6.225 1.00 0.22 N ATOM 1133 CA ASP A 76 -5.582 -3.180 -6.893 1.00 0.25 C ATOM 1134 C ASP A 76 -6.587 -3.766 -5.904 1.00 0.27 C ATOM 1135 O ASP A 76 -7.795 -3.507 -6.011 1.00 0.30 O ATOM 1136 CB ASP A 76 -5.266 -4.174 -8.023 1.00 0.33 C ATOM 1137 CG ASP A 76 -6.490 -4.674 -8.771 1.00 0.46 C ATOM 1138 OD1 ASP A 76 -7.207 -3.862 -9.386 1.00 0.56 O ATOM 1139 OD2 ASP A 76 -6.738 -5.902 -8.777 1.00 0.57 O ATOM 0 H ASP A 76 -3.514 -3.254 -6.494 1.00 0.22 H new ATOM 0 HA ASP A 76 -6.049 -2.301 -7.337 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -4.590 -3.697 -8.733 1.00 0.33 H new ATOM 0 HB3 ASP A 76 -4.736 -5.029 -7.603 1.00 0.33 H new ATOM 1144 N LEU A 77 -6.094 -4.523 -4.921 1.00 0.30 N ATOM 1145 CA LEU A 77 -6.943 -5.080 -3.886 1.00 0.36 C ATOM 1146 C LEU A 77 -7.614 -3.981 -3.072 1.00 0.34 C ATOM 1147 O LEU A 77 -8.816 -4.060 -2.772 1.00 0.38 O ATOM 1148 CB LEU A 77 -6.148 -6.022 -2.973 1.00 0.47 C ATOM 1149 CG LEU A 77 -6.209 -7.535 -3.284 1.00 0.98 C ATOM 1150 CD1 LEU A 77 -7.631 -8.056 -3.162 1.00 1.57 C ATOM 1151 CD2 LEU A 77 -5.652 -7.847 -4.662 1.00 1.96 C ATOM 0 H LEU A 77 -5.106 -4.760 -4.827 1.00 0.30 H new ATOM 0 HA LEU A 77 -7.725 -5.660 -4.376 1.00 0.36 H new ATOM 0 HB2 LEU A 77 -5.103 -5.715 -3.001 1.00 0.47 H new ATOM 0 HB3 LEU A 77 -6.497 -5.874 -1.951 1.00 0.47 H new ATOM 0 HG LEU A 77 -5.586 -8.042 -2.547 1.00 0.98 H new ATOM 0 HD11 LEU A 77 -7.648 -9.123 -3.386 1.00 1.57 H new ATOM 0 HD12 LEU A 77 -7.993 -7.892 -2.147 1.00 1.57 H new ATOM 0 HD13 LEU A 77 -8.274 -7.527 -3.866 1.00 1.57 H new ATOM 0 HD21 LEU A 77 -5.712 -8.920 -4.844 1.00 1.96 H new ATOM 0 HD22 LEU A 77 -6.233 -7.318 -5.418 1.00 1.96 H new ATOM 0 HD23 LEU A 77 -4.611 -7.528 -4.715 1.00 1.96 H new ATOM 1163 N ILE A 78 -6.855 -2.950 -2.736 1.00 0.32 N ATOM 1164 CA ILE A 78 -7.402 -1.838 -1.994 1.00 0.34 C ATOM 1165 C ILE A 78 -8.317 -1.009 -2.893 1.00 0.31 C ATOM 1166 O ILE A 78 -9.391 -0.634 -2.478 1.00 0.39 O ATOM 1167 CB ILE A 78 -6.304 -0.946 -1.345 1.00 0.38 C ATOM 1168 CG1 ILE A 78 -5.449 -1.783 -0.389 1.00 0.46 C ATOM 1169 CG2 ILE A 78 -6.943 0.217 -0.584 1.00 0.43 C ATOM 1170 CD1 ILE A 78 -4.354 -1.003 0.306 1.00 0.55 C ATOM 0 H ILE A 78 -5.865 -2.865 -2.966 1.00 0.32 H new ATOM 0 HA ILE A 78 -7.984 -2.253 -1.171 1.00 0.34 H new ATOM 0 HB ILE A 78 -5.671 -0.543 -2.135 1.00 0.38 H new ATOM 0 HG12 ILE A 78 -6.097 -2.229 0.365 1.00 0.46 H new ATOM 0 HG13 ILE A 78 -4.998 -2.604 -0.947 1.00 0.46 H new ATOM 0 HG21 ILE A 78 -6.162 0.831 -0.136 1.00 0.43 H new ATOM 0 HG22 ILE A 78 -7.531 0.823 -1.273 1.00 0.43 H new ATOM 0 HG23 ILE A 78 -7.592 -0.174 0.200 1.00 0.43 H new ATOM 0 HD11 ILE A 78 -3.795 -1.668 0.964 1.00 0.55 H new ATOM 0 HD12 ILE A 78 -3.680 -0.580 -0.439 1.00 0.55 H new ATOM 0 HD13 ILE A 78 -4.797 -0.199 0.894 1.00 0.55 H new ATOM 1182 N ASN A 79 -7.890 -0.755 -4.134 1.00 0.29 N ATOM 1183 CA ASN A 79 -8.697 0.001 -5.119 1.00 0.31 C ATOM 1184 C ASN A 79 -10.082 -0.586 -5.261 1.00 0.32 C ATOM 1185 O ASN A 79 -11.083 0.152 -5.215 1.00 0.38 O ATOM 1186 CB ASN A 79 -8.042 0.057 -6.512 1.00 0.34 C ATOM 1187 CG ASN A 79 -6.836 0.973 -6.624 1.00 0.52 C ATOM 1188 OD1 ASN A 79 -5.931 0.720 -7.413 1.00 1.14 O ATOM 1189 ND2 ASN A 79 -6.820 2.045 -5.870 1.00 0.52 N ATOM 0 H ASN A 79 -6.984 -1.061 -4.490 1.00 0.29 H new ATOM 0 HA ASN A 79 -8.760 1.016 -4.727 1.00 0.31 H new ATOM 0 HB2 ASN A 79 -7.739 -0.951 -6.794 1.00 0.34 H new ATOM 0 HB3 ASN A 79 -8.791 0.379 -7.235 1.00 0.34 H new ATOM 0 HD21 ASN A 79 -6.039 2.698 -5.929 1.00 0.52 H new ATOM 0 HD22 ASN A 79 -7.589 2.226 -5.224 1.00 0.52 H new ATOM 1196 N GLY A 80 -10.148 -1.902 -5.406 1.00 0.34 N ATOM 1197 CA GLY A 80 -11.418 -2.582 -5.508 1.00 0.42 C ATOM 1198 C GLY A 80 -12.277 -2.347 -4.283 1.00 0.45 C ATOM 1199 O GLY A 80 -13.464 -2.004 -4.397 1.00 0.53 O ATOM 0 H GLY A 80 -9.334 -2.514 -5.455 1.00 0.34 H new ATOM 0 HA2 GLY A 80 -11.947 -2.235 -6.396 1.00 0.42 H new ATOM 0 HA3 GLY A 80 -11.249 -3.651 -5.635 1.00 0.42 H new ATOM 1203 N ALA A 81 -11.656 -2.444 -3.121 1.00 0.44 N ATOM 1204 CA ALA A 81 -12.333 -2.261 -1.849 1.00 0.52 C ATOM 1205 C ALA A 81 -12.758 -0.801 -1.656 1.00 0.51 C ATOM 1206 O ALA A 81 -13.796 -0.529 -1.068 1.00 0.60 O ATOM 1207 CB ALA A 81 -11.437 -2.709 -0.705 1.00 0.59 C ATOM 0 H ALA A 81 -10.662 -2.653 -3.033 1.00 0.44 H new ATOM 0 HA ALA A 81 -13.233 -2.876 -1.852 1.00 0.52 H new ATOM 0 HB1 ALA A 81 -11.957 -2.566 0.242 1.00 0.59 H new ATOM 0 HB2 ALA A 81 -11.190 -3.764 -0.828 1.00 0.59 H new ATOM 0 HB3 ALA A 81 -10.521 -2.119 -0.708 1.00 0.59 H new ATOM 1213 N LEU A 82 -11.960 0.127 -2.164 1.00 0.48 N ATOM 1214 CA LEU A 82 -12.262 1.546 -2.096 1.00 0.56 C ATOM 1215 C LEU A 82 -13.464 1.870 -2.956 1.00 0.59 C ATOM 1216 O LEU A 82 -14.308 2.677 -2.580 1.00 0.75 O ATOM 1217 CB LEU A 82 -11.059 2.375 -2.547 1.00 0.63 C ATOM 1218 CG LEU A 82 -9.793 2.244 -1.704 1.00 0.72 C ATOM 1219 CD1 LEU A 82 -8.709 3.168 -2.217 1.00 1.42 C ATOM 1220 CD2 LEU A 82 -10.086 2.510 -0.242 1.00 1.10 C ATOM 0 H LEU A 82 -11.082 -0.086 -2.637 1.00 0.48 H new ATOM 0 HA LEU A 82 -12.490 1.797 -1.060 1.00 0.56 H new ATOM 0 HB2 LEU A 82 -10.817 2.097 -3.573 1.00 0.63 H new ATOM 0 HB3 LEU A 82 -11.353 3.424 -2.562 1.00 0.63 H new ATOM 0 HG LEU A 82 -9.432 1.219 -1.791 1.00 0.72 H new ATOM 0 HD11 LEU A 82 -7.816 3.058 -1.602 1.00 1.42 H new ATOM 0 HD12 LEU A 82 -8.472 2.912 -3.250 1.00 1.42 H new ATOM 0 HD13 LEU A 82 -9.058 4.200 -2.170 1.00 1.42 H new ATOM 0 HD21 LEU A 82 -9.168 2.410 0.337 1.00 1.10 H new ATOM 0 HD22 LEU A 82 -10.479 3.520 -0.128 1.00 1.10 H new ATOM 0 HD23 LEU A 82 -10.822 1.791 0.118 1.00 1.10 H new ATOM 1232 N ALA A 83 -13.532 1.233 -4.110 1.00 0.57 N ATOM 1233 CA ALA A 83 -14.653 1.385 -5.012 1.00 0.67 C ATOM 1234 C ALA A 83 -15.933 0.838 -4.369 1.00 0.72 C ATOM 1235 O ALA A 83 -17.028 1.324 -4.625 1.00 0.85 O ATOM 1236 CB ALA A 83 -14.364 0.701 -6.331 1.00 0.76 C ATOM 0 H ALA A 83 -12.810 0.596 -4.447 1.00 0.57 H new ATOM 0 HA ALA A 83 -14.805 2.446 -5.211 1.00 0.67 H new ATOM 0 HB1 ALA A 83 -15.216 0.824 -6.999 1.00 0.76 H new ATOM 0 HB2 ALA A 83 -13.479 1.147 -6.786 1.00 0.76 H new ATOM 0 HB3 ALA A 83 -14.188 -0.361 -6.159 1.00 0.76 H new