USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 538 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 71:sc= 2.29 USER MOD Set 1.2: A 40 TYR OH : rot 24:sc= 2.25 USER MOD Set 1.3: A 48 THR OG1 : rot -23:sc= 0.971 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00279 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -166:sc= -0.183 (180deg=-0.329) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 30:sc= 0.586 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.91 K(o=0.91,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 11.802 7.040 -0.065 1.00 0.91 N ATOM 45 CA LEU A 4 10.807 6.380 0.744 1.00 0.65 C ATOM 46 C LEU A 4 9.457 7.028 0.515 1.00 0.63 C ATOM 47 O LEU A 4 9.382 8.182 0.065 1.00 0.84 O ATOM 48 CB LEU A 4 11.174 6.488 2.236 1.00 0.62 C ATOM 49 CG LEU A 4 12.544 5.940 2.661 1.00 0.65 C ATOM 50 CD1 LEU A 4 12.751 6.138 4.154 1.00 0.80 C ATOM 51 CD2 LEU A 4 12.680 4.470 2.299 1.00 0.51 C ATOM 0 HA LEU A 4 10.766 5.328 0.462 1.00 0.65 H new ATOM 0 HB2 LEU A 4 11.127 7.539 2.521 1.00 0.62 H new ATOM 0 HB3 LEU A 4 10.408 5.968 2.811 1.00 0.62 H new ATOM 0 HG LEU A 4 13.313 6.494 2.122 1.00 0.65 H new ATOM 0 HD11 LEU A 4 13.726 5.745 4.441 1.00 0.80 H new ATOM 0 HD12 LEU A 4 12.704 7.201 4.390 1.00 0.80 H new ATOM 0 HD13 LEU A 4 11.971 5.610 4.703 1.00 0.80 H new ATOM 0 HD21 LEU A 4 13.659 4.108 2.611 1.00 0.51 H new ATOM 0 HD22 LEU A 4 11.903 3.897 2.805 1.00 0.51 H new ATOM 0 HD23 LEU A 4 12.575 4.350 1.221 1.00 0.51 H new ATOM 63 N LEU A 5 8.414 6.320 0.854 1.00 0.44 N ATOM 64 CA LEU A 5 7.054 6.793 0.692 1.00 0.40 C ATOM 65 C LEU A 5 6.638 7.547 1.945 1.00 0.35 C ATOM 66 O LEU A 5 6.982 7.133 3.066 1.00 0.41 O ATOM 67 CB LEU A 5 6.094 5.613 0.562 1.00 0.41 C ATOM 68 CG LEU A 5 6.398 4.522 -0.451 1.00 0.59 C ATOM 69 CD1 LEU A 5 5.345 3.446 -0.345 1.00 0.72 C ATOM 70 CD2 LEU A 5 6.424 5.070 -1.847 1.00 0.81 C ATOM 0 H LEU A 5 8.479 5.385 1.256 1.00 0.44 H new ATOM 0 HA LEU A 5 7.016 7.423 -0.197 1.00 0.40 H new ATOM 0 HB2 LEU A 5 6.019 5.141 1.541 1.00 0.41 H new ATOM 0 HB3 LEU A 5 5.109 6.015 0.326 1.00 0.41 H new ATOM 0 HG LEU A 5 7.383 4.108 -0.234 1.00 0.59 H new ATOM 0 HD11 LEU A 5 5.555 2.659 -1.069 1.00 0.72 H new ATOM 0 HD12 LEU A 5 5.354 3.026 0.661 1.00 0.72 H new ATOM 0 HD13 LEU A 5 4.364 3.875 -0.550 1.00 0.72 H new ATOM 0 HD21 LEU A 5 6.644 4.266 -2.549 1.00 0.81 H new ATOM 0 HD22 LEU A 5 5.453 5.505 -2.085 1.00 0.81 H new ATOM 0 HD23 LEU A 5 7.194 5.838 -1.922 1.00 0.81 H new ATOM 82 N THR A 6 5.938 8.631 1.781 1.00 0.37 N ATOM 83 CA THR A 6 5.391 9.342 2.902 1.00 0.42 C ATOM 84 C THR A 6 3.906 9.003 3.039 1.00 0.35 C ATOM 85 O THR A 6 3.375 8.237 2.216 1.00 0.34 O ATOM 86 CB THR A 6 5.570 10.863 2.738 1.00 0.59 C ATOM 87 OG1 THR A 6 4.978 11.290 1.493 1.00 0.65 O ATOM 88 CG2 THR A 6 7.044 11.233 2.752 1.00 0.72 C ATOM 0 H THR A 6 5.730 9.046 0.873 1.00 0.37 H new ATOM 0 HA THR A 6 5.925 9.037 3.802 1.00 0.42 H new ATOM 0 HB THR A 6 5.076 11.363 3.571 1.00 0.59 H new ATOM 0 HG1 THR A 6 5.092 12.258 1.392 1.00 0.65 H new ATOM 0 HG21 THR A 6 7.150 12.312 2.635 1.00 0.72 H new ATOM 0 HG22 THR A 6 7.487 10.926 3.699 1.00 0.72 H new ATOM 0 HG23 THR A 6 7.554 10.727 1.932 1.00 0.72 H new ATOM 96 N THR A 7 3.237 9.566 4.051 1.00 0.40 N ATOM 97 CA THR A 7 1.803 9.411 4.230 1.00 0.43 C ATOM 98 C THR A 7 1.098 9.855 2.945 1.00 0.41 C ATOM 99 O THR A 7 0.230 9.170 2.432 1.00 0.43 O ATOM 100 CB THR A 7 1.321 10.296 5.393 1.00 0.58 C ATOM 101 OG1 THR A 7 2.185 10.103 6.532 1.00 0.69 O ATOM 102 CG2 THR A 7 -0.115 9.940 5.782 1.00 0.66 C ATOM 0 H THR A 7 3.682 10.141 4.766 1.00 0.40 H new ATOM 0 HA THR A 7 1.574 8.369 4.452 1.00 0.43 H new ATOM 0 HB THR A 7 1.350 11.338 5.074 1.00 0.58 H new ATOM 0 HG1 THR A 7 1.880 10.667 7.273 1.00 0.69 H new ATOM 0 HG21 THR A 7 -0.437 10.577 6.606 1.00 0.66 H new ATOM 0 HG22 THR A 7 -0.772 10.093 4.926 1.00 0.66 H new ATOM 0 HG23 THR A 7 -0.160 8.896 6.091 1.00 0.66 H new ATOM 110 N ASP A 8 1.527 11.006 2.441 1.00 0.44 N ATOM 111 CA ASP A 8 1.009 11.608 1.211 1.00 0.51 C ATOM 112 C ASP A 8 1.125 10.670 0.030 1.00 0.47 C ATOM 113 O ASP A 8 0.150 10.426 -0.684 1.00 0.52 O ATOM 114 CB ASP A 8 1.779 12.887 0.878 1.00 0.63 C ATOM 115 CG ASP A 8 1.375 14.086 1.693 1.00 1.46 C ATOM 116 OD1 ASP A 8 1.657 14.097 2.920 1.00 2.38 O ATOM 117 OD2 ASP A 8 0.780 15.032 1.147 1.00 1.63 O ATOM 0 H ASP A 8 2.260 11.561 2.883 1.00 0.44 H new ATOM 0 HA ASP A 8 -0.044 11.828 1.389 1.00 0.51 H new ATOM 0 HB2 ASP A 8 2.843 12.705 1.026 1.00 0.63 H new ATOM 0 HB3 ASP A 8 1.638 13.117 -0.178 1.00 0.63 H new ATOM 122 N ASP A 9 2.306 10.132 -0.170 1.00 0.45 N ATOM 123 CA ASP A 9 2.556 9.285 -1.322 1.00 0.49 C ATOM 124 C ASP A 9 1.854 7.940 -1.188 1.00 0.47 C ATOM 125 O ASP A 9 1.434 7.333 -2.168 1.00 0.56 O ATOM 126 CB ASP A 9 4.029 9.115 -1.550 1.00 0.60 C ATOM 127 CG ASP A 9 4.321 8.569 -2.917 1.00 1.11 C ATOM 128 OD1 ASP A 9 4.229 9.332 -3.914 1.00 1.08 O ATOM 129 OD2 ASP A 9 4.713 7.414 -3.029 1.00 2.00 O ATOM 0 H ASP A 9 3.109 10.263 0.446 1.00 0.45 H new ATOM 0 HA ASP A 9 2.137 9.781 -2.198 1.00 0.49 H new ATOM 0 HB2 ASP A 9 4.529 10.076 -1.428 1.00 0.60 H new ATOM 0 HB3 ASP A 9 4.439 8.444 -0.795 1.00 0.60 H new ATOM 134 N LEU A 10 1.734 7.474 0.028 1.00 0.42 N ATOM 135 CA LEU A 10 0.980 6.269 0.299 1.00 0.44 C ATOM 136 C LEU A 10 -0.501 6.540 0.029 1.00 0.42 C ATOM 137 O LEU A 10 -1.195 5.730 -0.577 1.00 0.50 O ATOM 138 CB LEU A 10 1.164 5.828 1.750 1.00 0.45 C ATOM 139 CG LEU A 10 0.485 4.513 2.144 1.00 0.48 C ATOM 140 CD1 LEU A 10 1.149 3.325 1.460 1.00 0.66 C ATOM 141 CD2 LEU A 10 0.478 4.342 3.646 1.00 0.80 C ATOM 0 H LEU A 10 2.149 7.910 0.852 1.00 0.42 H new ATOM 0 HA LEU A 10 1.342 5.471 -0.349 1.00 0.44 H new ATOM 0 HB2 LEU A 10 2.232 5.736 1.948 1.00 0.45 H new ATOM 0 HB3 LEU A 10 0.786 6.618 2.399 1.00 0.45 H new ATOM 0 HG LEU A 10 -0.550 4.554 1.804 1.00 0.48 H new ATOM 0 HD11 LEU A 10 0.646 2.405 1.759 1.00 0.66 H new ATOM 0 HD12 LEU A 10 1.079 3.442 0.379 1.00 0.66 H new ATOM 0 HD13 LEU A 10 2.198 3.276 1.753 1.00 0.66 H new ATOM 0 HD21 LEU A 10 -0.009 3.401 3.903 1.00 0.80 H new ATOM 0 HD22 LEU A 10 1.503 4.333 4.016 1.00 0.80 H new ATOM 0 HD23 LEU A 10 -0.065 5.169 4.104 1.00 0.80 H new ATOM 153 N ARG A 11 -0.955 7.709 0.472 1.00 0.40 N ATOM 154 CA ARG A 11 -2.332 8.155 0.317 1.00 0.41 C ATOM 155 C ARG A 11 -2.757 8.092 -1.140 1.00 0.40 C ATOM 156 O ARG A 11 -3.741 7.440 -1.464 1.00 0.42 O ATOM 157 CB ARG A 11 -2.500 9.579 0.864 1.00 0.48 C ATOM 158 CG ARG A 11 -3.929 10.085 0.885 1.00 0.58 C ATOM 159 CD ARG A 11 -3.995 11.528 1.358 1.00 0.72 C ATOM 160 NE ARG A 11 -3.227 12.435 0.494 1.00 1.24 N ATOM 161 CZ ARG A 11 -2.982 13.725 0.760 1.00 1.74 C ATOM 162 NH1 ARG A 11 -3.522 14.303 1.824 1.00 2.01 N ATOM 163 NH2 ARG A 11 -2.202 14.438 -0.052 1.00 2.57 N ATOM 0 H ARG A 11 -0.364 8.384 0.957 1.00 0.40 H new ATOM 0 HA ARG A 11 -2.974 7.486 0.890 1.00 0.41 H new ATOM 0 HB2 ARG A 11 -2.102 9.613 1.878 1.00 0.48 H new ATOM 0 HB3 ARG A 11 -1.897 10.259 0.262 1.00 0.48 H new ATOM 0 HG2 ARG A 11 -4.360 10.007 -0.113 1.00 0.58 H new ATOM 0 HG3 ARG A 11 -4.530 9.456 1.542 1.00 0.58 H new ATOM 0 HD2 ARG A 11 -5.036 11.851 1.386 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -3.614 11.591 2.377 1.00 0.72 H new ATOM 0 HE ARG A 11 -2.852 12.053 -0.374 1.00 1.24 H new ATOM 0 HH11 ARG A 11 -4.127 13.765 2.445 1.00 2.01 H new ATOM 0 HH12 ARG A 11 -3.332 15.285 2.022 1.00 2.01 H new ATOM 0 HH21 ARG A 11 -1.791 14.002 -0.877 1.00 2.57 H new ATOM 0 HH22 ARG A 11 -2.016 15.420 0.152 1.00 2.57 H new ATOM 177 N ARG A 12 -1.988 8.746 -2.004 1.00 0.43 N ATOM 178 CA ARG A 12 -2.256 8.761 -3.450 1.00 0.49 C ATOM 179 C ARG A 12 -2.284 7.352 -4.045 1.00 0.49 C ATOM 180 O ARG A 12 -3.045 7.090 -4.967 1.00 0.59 O ATOM 181 CB ARG A 12 -1.258 9.660 -4.212 1.00 0.64 C ATOM 182 CG ARG A 12 0.189 9.292 -3.992 1.00 0.85 C ATOM 183 CD ARG A 12 1.159 10.150 -4.776 1.00 1.00 C ATOM 184 NE ARG A 12 1.095 9.908 -6.221 1.00 1.77 N ATOM 185 CZ ARG A 12 2.175 9.767 -7.018 1.00 2.43 C ATOM 186 NH1 ARG A 12 3.400 9.626 -6.480 1.00 2.51 N ATOM 187 NH2 ARG A 12 2.019 9.689 -8.341 1.00 3.48 N ATOM 0 H ARG A 12 -1.163 9.280 -1.730 1.00 0.43 H new ATOM 0 HA ARG A 12 -3.251 9.190 -3.574 1.00 0.49 H new ATOM 0 HB2 ARG A 12 -1.478 9.607 -5.278 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -1.410 10.695 -3.906 1.00 0.64 H new ATOM 0 HG2 ARG A 12 0.419 9.376 -2.930 1.00 0.85 H new ATOM 0 HG3 ARG A 12 0.336 8.248 -4.268 1.00 0.85 H new ATOM 0 HD2 ARG A 12 0.948 11.201 -4.579 1.00 1.00 H new ATOM 0 HD3 ARG A 12 2.173 9.957 -4.425 1.00 1.00 H new ATOM 0 HE ARG A 12 0.173 9.842 -6.652 1.00 1.77 H new ATOM 0 HH11 ARG A 12 3.515 9.625 -5.466 1.00 2.51 H new ATOM 0 HH12 ARG A 12 4.214 9.520 -7.086 1.00 2.51 H new ATOM 0 HH21 ARG A 12 1.085 9.736 -8.748 1.00 3.48 H new ATOM 0 HH22 ARG A 12 2.834 9.582 -8.945 1.00 3.48 H new ATOM 201 N ALA A 13 -1.460 6.452 -3.507 1.00 0.50 N ATOM 202 CA ALA A 13 -1.417 5.071 -3.966 1.00 0.59 C ATOM 203 C ALA A 13 -2.714 4.348 -3.606 1.00 0.55 C ATOM 204 O ALA A 13 -3.336 3.707 -4.452 1.00 0.65 O ATOM 205 CB ALA A 13 -0.214 4.348 -3.386 1.00 0.70 C ATOM 0 H ALA A 13 -0.811 6.661 -2.748 1.00 0.50 H new ATOM 0 HA ALA A 13 -1.317 5.072 -5.051 1.00 0.59 H new ATOM 0 HB1 ALA A 13 -0.202 3.318 -3.742 1.00 0.70 H new ATOM 0 HB2 ALA A 13 0.700 4.852 -3.701 1.00 0.70 H new ATOM 0 HB3 ALA A 13 -0.275 4.355 -2.298 1.00 0.70 H new ATOM 211 N LEU A 14 -3.130 4.483 -2.357 1.00 0.47 N ATOM 212 CA LEU A 14 -4.377 3.878 -1.899 1.00 0.48 C ATOM 213 C LEU A 14 -5.574 4.519 -2.597 1.00 0.53 C ATOM 214 O LEU A 14 -6.521 3.849 -2.987 1.00 0.70 O ATOM 215 CB LEU A 14 -4.542 3.961 -0.362 1.00 0.48 C ATOM 216 CG LEU A 14 -3.819 2.904 0.514 1.00 0.56 C ATOM 217 CD1 LEU A 14 -4.313 1.508 0.217 1.00 0.52 C ATOM 218 CD2 LEU A 14 -2.316 2.970 0.373 1.00 0.92 C ATOM 0 H LEU A 14 -2.625 5.005 -1.641 1.00 0.47 H new ATOM 0 HA LEU A 14 -4.334 2.821 -2.163 1.00 0.48 H new ATOM 0 HB2 LEU A 14 -4.201 4.946 -0.044 1.00 0.48 H new ATOM 0 HB3 LEU A 14 -5.607 3.905 -0.139 1.00 0.48 H new ATOM 0 HG LEU A 14 -4.063 3.145 1.549 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -3.785 0.793 0.848 1.00 0.52 H new ATOM 0 HD12 LEU A 14 -5.383 1.450 0.419 1.00 0.52 H new ATOM 0 HD13 LEU A 14 -4.128 1.272 -0.831 1.00 0.52 H new ATOM 0 HD21 LEU A 14 -1.857 2.210 1.006 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -2.040 2.791 -0.666 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -1.965 3.956 0.677 1.00 0.92 H new ATOM 230 N VAL A 15 -5.552 5.812 -2.725 1.00 0.49 N ATOM 231 CA VAL A 15 -6.588 6.517 -3.449 1.00 0.60 C ATOM 232 C VAL A 15 -6.599 6.165 -4.975 1.00 0.66 C ATOM 233 O VAL A 15 -7.587 6.338 -5.657 1.00 0.87 O ATOM 234 CB VAL A 15 -6.594 8.055 -3.154 1.00 0.64 C ATOM 235 CG1 VAL A 15 -7.663 8.784 -3.941 1.00 0.88 C ATOM 236 CG2 VAL A 15 -6.819 8.292 -1.668 1.00 0.84 C ATOM 0 H VAL A 15 -4.824 6.412 -2.337 1.00 0.49 H new ATOM 0 HA VAL A 15 -7.540 6.152 -3.063 1.00 0.60 H new ATOM 0 HB VAL A 15 -5.625 8.448 -3.460 1.00 0.64 H new ATOM 0 HG11 VAL A 15 -7.628 9.847 -3.703 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -7.488 8.645 -5.008 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -8.643 8.385 -3.679 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -6.822 9.363 -1.467 1.00 0.84 H new ATOM 0 HG22 VAL A 15 -7.777 7.864 -1.372 1.00 0.84 H new ATOM 0 HG23 VAL A 15 -6.019 7.819 -1.099 1.00 0.84 H new ATOM 246 N GLU A 16 -5.520 5.584 -5.464 1.00 0.64 N ATOM 247 CA GLU A 16 -5.408 5.261 -6.874 1.00 0.77 C ATOM 248 C GLU A 16 -6.171 3.973 -7.202 1.00 0.70 C ATOM 249 O GLU A 16 -7.062 3.971 -8.054 1.00 0.81 O ATOM 250 CB GLU A 16 -3.931 5.100 -7.252 1.00 0.95 C ATOM 251 CG GLU A 16 -3.667 4.963 -8.732 1.00 1.63 C ATOM 252 CD GLU A 16 -4.095 6.183 -9.495 1.00 1.66 C ATOM 253 OE1 GLU A 16 -3.467 7.243 -9.328 1.00 1.92 O ATOM 254 OE2 GLU A 16 -5.061 6.100 -10.280 1.00 2.10 O ATOM 0 H GLU A 16 -4.707 5.326 -4.905 1.00 0.64 H new ATOM 0 HA GLU A 16 -5.846 6.076 -7.450 1.00 0.77 H new ATOM 0 HB2 GLU A 16 -3.379 5.962 -6.877 1.00 0.95 H new ATOM 0 HB3 GLU A 16 -3.534 4.221 -6.744 1.00 0.95 H new ATOM 0 HG2 GLU A 16 -2.604 4.787 -8.896 1.00 1.63 H new ATOM 0 HG3 GLU A 16 -4.197 4.091 -9.116 1.00 1.63 H new ATOM 261 N SER A 17 -5.872 2.912 -6.480 1.00 0.58 N ATOM 262 CA SER A 17 -6.444 1.605 -6.758 1.00 0.61 C ATOM 263 C SER A 17 -7.930 1.469 -6.352 1.00 0.69 C ATOM 264 O SER A 17 -8.661 0.671 -6.945 1.00 0.82 O ATOM 265 CB SER A 17 -5.536 0.520 -6.157 1.00 0.57 C ATOM 266 OG SER A 17 -5.042 0.958 -4.896 1.00 1.00 O ATOM 0 H SER A 17 -5.230 2.928 -5.688 1.00 0.58 H new ATOM 0 HA SER A 17 -6.474 1.470 -7.839 1.00 0.61 H new ATOM 0 HB2 SER A 17 -6.092 -0.410 -6.038 1.00 0.57 H new ATOM 0 HB3 SER A 17 -4.706 0.311 -6.832 1.00 0.57 H new ATOM 0 HG SER A 17 -5.773 0.965 -4.243 1.00 1.00 H new ATOM 400 N ASP A 29 -8.409 9.200 4.826 1.00 0.68 N ATOM 401 CA ASP A 29 -8.842 8.480 6.012 1.00 0.75 C ATOM 402 C ASP A 29 -8.679 7.010 5.720 1.00 0.61 C ATOM 403 O ASP A 29 -9.587 6.386 5.154 1.00 0.71 O ATOM 404 CB ASP A 29 -10.318 8.750 6.368 1.00 1.18 C ATOM 405 CG ASP A 29 -10.675 10.190 6.640 1.00 1.63 C ATOM 406 OD1 ASP A 29 -10.020 10.826 7.514 1.00 2.14 O ATOM 407 OD2 ASP A 29 -11.562 10.746 5.957 1.00 2.17 O ATOM 0 HA ASP A 29 -8.242 8.812 6.860 1.00 0.75 H new ATOM 0 HB2 ASP A 29 -10.941 8.389 5.550 1.00 1.18 H new ATOM 0 HB3 ASP A 29 -10.574 8.160 7.248 1.00 1.18 H new ATOM 412 N PHE A 30 -7.519 6.459 6.033 1.00 0.48 N ATOM 413 CA PHE A 30 -7.237 5.099 5.624 1.00 0.41 C ATOM 414 C PHE A 30 -6.101 4.480 6.452 1.00 0.34 C ATOM 415 O PHE A 30 -6.145 3.321 6.788 1.00 0.34 O ATOM 416 CB PHE A 30 -6.854 5.098 4.105 1.00 0.47 C ATOM 417 CG PHE A 30 -5.435 5.558 3.785 1.00 0.39 C ATOM 418 CD1 PHE A 30 -5.128 6.907 3.740 1.00 0.61 C ATOM 419 CD2 PHE A 30 -4.429 4.650 3.509 1.00 0.44 C ATOM 420 CE1 PHE A 30 -3.855 7.333 3.428 1.00 0.71 C ATOM 421 CE2 PHE A 30 -3.153 5.073 3.191 1.00 0.52 C ATOM 422 CZ PHE A 30 -2.834 6.375 3.253 1.00 0.60 C ATOM 0 H PHE A 30 -6.775 6.921 6.556 1.00 0.48 H new ATOM 0 HA PHE A 30 -8.128 4.494 5.791 1.00 0.41 H new ATOM 0 HB2 PHE A 30 -6.987 4.089 3.715 1.00 0.47 H new ATOM 0 HB3 PHE A 30 -7.555 5.740 3.571 1.00 0.47 H new ATOM 0 HD1 PHE A 30 -5.896 7.636 3.952 1.00 0.61 H new ATOM 0 HD2 PHE A 30 -4.645 3.592 3.543 1.00 0.44 H new ATOM 0 HE1 PHE A 30 -3.642 8.386 3.319 1.00 0.71 H new ATOM 0 HE2 PHE A 30 -2.408 4.351 2.891 1.00 0.52 H new ATOM 0 HZ PHE A 30 -1.803 6.687 3.170 1.00 0.60 H new ATOM 432 N LEU A 31 -5.111 5.301 6.784 1.00 0.36 N ATOM 433 CA LEU A 31 -3.836 4.876 7.369 1.00 0.36 C ATOM 434 C LEU A 31 -3.950 3.997 8.625 1.00 0.35 C ATOM 435 O LEU A 31 -3.197 3.028 8.781 1.00 0.37 O ATOM 436 CB LEU A 31 -2.933 6.087 7.611 1.00 0.44 C ATOM 437 CG LEU A 31 -1.526 5.779 8.105 1.00 0.51 C ATOM 438 CD1 LEU A 31 -0.765 4.953 7.083 1.00 0.52 C ATOM 439 CD2 LEU A 31 -0.777 7.047 8.407 1.00 0.64 C ATOM 0 H LEU A 31 -5.171 6.311 6.651 1.00 0.36 H new ATOM 0 HA LEU A 31 -3.381 4.220 6.627 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -2.856 6.650 6.681 1.00 0.44 H new ATOM 0 HB3 LEU A 31 -3.418 6.738 8.338 1.00 0.44 H new ATOM 0 HG LEU A 31 -1.613 5.200 9.024 1.00 0.51 H new ATOM 0 HD11 LEU A 31 0.237 4.745 7.457 1.00 0.52 H new ATOM 0 HD12 LEU A 31 -1.290 4.014 6.911 1.00 0.52 H new ATOM 0 HD13 LEU A 31 -0.695 5.507 6.147 1.00 0.52 H new ATOM 0 HD21 LEU A 31 0.225 6.803 8.758 1.00 0.64 H new ATOM 0 HD22 LEU A 31 -0.707 7.652 7.503 1.00 0.64 H new ATOM 0 HD23 LEU A 31 -1.305 7.607 9.179 1.00 0.64 H new ATOM 451 N ASP A 32 -4.870 4.333 9.501 1.00 0.38 N ATOM 452 CA ASP A 32 -5.030 3.603 10.769 1.00 0.45 C ATOM 453 C ASP A 32 -6.139 2.579 10.660 1.00 0.41 C ATOM 454 O ASP A 32 -6.415 1.827 11.597 1.00 0.47 O ATOM 455 CB ASP A 32 -5.348 4.573 11.920 1.00 0.64 C ATOM 456 CG ASP A 32 -4.222 5.532 12.241 1.00 1.55 C ATOM 457 OD1 ASP A 32 -4.084 6.567 11.539 1.00 2.29 O ATOM 458 OD2 ASP A 32 -3.427 5.258 13.175 1.00 2.06 O ATOM 0 H ASP A 32 -5.525 5.104 9.372 1.00 0.38 H new ATOM 0 HA ASP A 32 -4.089 3.094 10.979 1.00 0.45 H new ATOM 0 HB2 ASP A 32 -6.239 5.146 11.664 1.00 0.64 H new ATOM 0 HB3 ASP A 32 -5.587 3.996 12.813 1.00 0.64 H new ATOM 463 N LEU A 33 -6.777 2.571 9.534 1.00 0.41 N ATOM 464 CA LEU A 33 -7.875 1.684 9.254 1.00 0.45 C ATOM 465 C LEU A 33 -7.336 0.457 8.538 1.00 0.44 C ATOM 466 O LEU A 33 -6.330 0.545 7.859 1.00 0.56 O ATOM 467 CB LEU A 33 -8.929 2.387 8.357 1.00 0.51 C ATOM 468 CG LEU A 33 -9.715 3.605 8.928 1.00 0.85 C ATOM 469 CD1 LEU A 33 -8.819 4.801 9.242 1.00 1.65 C ATOM 470 CD2 LEU A 33 -10.790 4.022 7.950 1.00 1.61 C ATOM 0 H LEU A 33 -6.548 3.195 8.760 1.00 0.41 H new ATOM 0 HA LEU A 33 -8.355 1.397 10.190 1.00 0.45 H new ATOM 0 HB2 LEU A 33 -8.422 2.718 7.451 1.00 0.51 H new ATOM 0 HB3 LEU A 33 -9.659 1.636 8.057 1.00 0.51 H new ATOM 0 HG LEU A 33 -10.158 3.282 9.870 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -9.425 5.616 9.636 1.00 1.65 H new ATOM 0 HD12 LEU A 33 -8.073 4.512 9.983 1.00 1.65 H new ATOM 0 HD13 LEU A 33 -8.318 5.129 8.331 1.00 1.65 H new ATOM 0 HD21 LEU A 33 -11.338 4.874 8.353 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -10.331 4.301 7.002 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -11.478 3.192 7.789 1.00 1.61 H new ATOM 482 N ARG A 34 -7.970 -0.680 8.682 1.00 0.45 N ATOM 483 CA ARG A 34 -7.534 -1.835 7.910 1.00 0.50 C ATOM 484 C ARG A 34 -8.014 -1.730 6.485 1.00 0.45 C ATOM 485 O ARG A 34 -9.049 -1.117 6.222 1.00 0.54 O ATOM 486 CB ARG A 34 -8.012 -3.167 8.459 1.00 0.71 C ATOM 487 CG ARG A 34 -7.176 -3.780 9.553 1.00 1.08 C ATOM 488 CD ARG A 34 -7.327 -5.278 9.446 1.00 1.18 C ATOM 489 NE ARG A 34 -6.569 -6.049 10.433 1.00 1.90 N ATOM 490 CZ ARG A 34 -6.713 -7.379 10.623 1.00 2.49 C ATOM 491 NH1 ARG A 34 -7.677 -8.042 9.992 1.00 2.61 N ATOM 492 NH2 ARG A 34 -5.887 -8.039 11.430 1.00 3.35 N ATOM 0 H ARG A 34 -8.764 -0.838 9.302 1.00 0.45 H new ATOM 0 HA ARG A 34 -6.446 -1.818 7.972 1.00 0.50 H new ATOM 0 HB2 ARG A 34 -9.026 -3.037 8.836 1.00 0.71 H new ATOM 0 HB3 ARG A 34 -8.068 -3.877 7.633 1.00 0.71 H new ATOM 0 HG2 ARG A 34 -6.131 -3.490 9.446 1.00 1.08 H new ATOM 0 HG3 ARG A 34 -7.506 -3.429 10.531 1.00 1.08 H new ATOM 0 HD2 ARG A 34 -8.383 -5.529 9.544 1.00 1.18 H new ATOM 0 HD3 ARG A 34 -7.017 -5.589 8.448 1.00 1.18 H new ATOM 0 HE ARG A 34 -5.892 -5.552 11.012 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -8.309 -7.547 9.363 1.00 2.61 H new ATOM 0 HH12 ARG A 34 -7.784 -9.046 10.137 1.00 2.61 H new ATOM 0 HH21 ARG A 34 -5.138 -7.541 11.911 1.00 3.35 H new ATOM 0 HH22 ARG A 34 -6.003 -9.043 11.568 1.00 3.35 H new ATOM 506 N PHE A 35 -7.269 -2.342 5.565 1.00 0.40 N ATOM 507 CA PHE A 35 -7.652 -2.402 4.146 1.00 0.40 C ATOM 508 C PHE A 35 -9.074 -2.905 3.998 1.00 0.46 C ATOM 509 O PHE A 35 -9.882 -2.319 3.293 1.00 0.49 O ATOM 510 CB PHE A 35 -6.710 -3.292 3.346 1.00 0.39 C ATOM 511 CG PHE A 35 -5.298 -2.846 3.391 1.00 0.35 C ATOM 512 CD1 PHE A 35 -4.859 -1.773 2.633 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.412 -3.485 4.207 1.00 0.35 C ATOM 514 CE1 PHE A 35 -3.546 -1.366 2.696 1.00 0.49 C ATOM 515 CE2 PHE A 35 -3.116 -3.093 4.281 1.00 0.41 C ATOM 516 CZ PHE A 35 -2.669 -2.032 3.528 1.00 0.48 C ATOM 0 H PHE A 35 -6.387 -2.809 5.776 1.00 0.40 H new ATOM 0 HA PHE A 35 -7.583 -1.389 3.750 1.00 0.40 H new ATOM 0 HB2 PHE A 35 -6.774 -4.311 3.728 1.00 0.39 H new ATOM 0 HB3 PHE A 35 -7.042 -3.319 2.308 1.00 0.39 H new ATOM 0 HD1 PHE A 35 -5.552 -1.252 1.988 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -4.749 -4.319 4.805 1.00 0.35 H new ATOM 0 HE1 PHE A 35 -3.205 -0.533 2.100 1.00 0.49 H new ATOM 0 HE2 PHE A 35 -2.432 -3.616 4.933 1.00 0.41 H new ATOM 0 HZ PHE A 35 -1.636 -1.722 3.588 1.00 0.48 H new ATOM 526 N GLU A 36 -9.367 -3.962 4.718 1.00 0.58 N ATOM 527 CA GLU A 36 -10.696 -4.592 4.745 1.00 0.74 C ATOM 528 C GLU A 36 -11.796 -3.547 4.997 1.00 0.75 C ATOM 529 O GLU A 36 -12.852 -3.567 4.385 1.00 0.84 O ATOM 530 CB GLU A 36 -10.749 -5.602 5.887 1.00 0.92 C ATOM 531 CG GLU A 36 -9.632 -6.625 5.894 1.00 1.14 C ATOM 532 CD GLU A 36 -9.754 -7.568 7.060 1.00 1.56 C ATOM 533 OE1 GLU A 36 -9.391 -7.188 8.183 1.00 2.26 O ATOM 534 OE2 GLU A 36 -10.204 -8.706 6.871 1.00 1.93 O ATOM 0 H GLU A 36 -8.686 -4.428 5.318 1.00 0.58 H new ATOM 0 HA GLU A 36 -10.862 -5.073 3.781 1.00 0.74 H new ATOM 0 HB2 GLU A 36 -10.729 -5.059 6.832 1.00 0.92 H new ATOM 0 HB3 GLU A 36 -11.702 -6.129 5.841 1.00 0.92 H new ATOM 0 HG2 GLU A 36 -9.651 -7.192 4.963 1.00 1.14 H new ATOM 0 HG3 GLU A 36 -8.670 -6.114 5.937 1.00 1.14 H new ATOM 541 N ASP A 37 -11.494 -2.608 5.854 1.00 0.70 N ATOM 542 CA ASP A 37 -12.446 -1.607 6.297 1.00 0.77 C ATOM 543 C ASP A 37 -12.451 -0.371 5.377 1.00 0.71 C ATOM 544 O ASP A 37 -13.390 0.431 5.385 1.00 0.80 O ATOM 545 CB ASP A 37 -12.112 -1.240 7.735 1.00 0.85 C ATOM 546 CG ASP A 37 -13.067 -0.275 8.372 1.00 1.48 C ATOM 547 OD1 ASP A 37 -14.274 -0.404 8.143 1.00 1.64 O ATOM 548 OD2 ASP A 37 -12.627 0.689 9.020 1.00 2.27 O ATOM 0 H ASP A 37 -10.569 -2.510 6.273 1.00 0.70 H new ATOM 0 HA ASP A 37 -13.455 -2.016 6.247 1.00 0.77 H new ATOM 0 HB2 ASP A 37 -12.085 -2.152 8.332 1.00 0.85 H new ATOM 0 HB3 ASP A 37 -11.110 -0.811 7.763 1.00 0.85 H new ATOM 553 N ILE A 38 -11.430 -0.238 4.547 1.00 0.62 N ATOM 554 CA ILE A 38 -11.364 0.885 3.614 1.00 0.65 C ATOM 555 C ILE A 38 -11.826 0.487 2.220 1.00 0.69 C ATOM 556 O ILE A 38 -11.538 1.170 1.235 1.00 0.75 O ATOM 557 CB ILE A 38 -9.966 1.585 3.539 1.00 0.61 C ATOM 558 CG1 ILE A 38 -8.846 0.596 3.162 1.00 0.53 C ATOM 559 CG2 ILE A 38 -9.657 2.286 4.848 1.00 0.67 C ATOM 560 CD1 ILE A 38 -7.475 1.227 2.994 1.00 0.56 C ATOM 0 H ILE A 38 -10.642 -0.883 4.496 1.00 0.62 H new ATOM 0 HA ILE A 38 -12.053 1.622 4.026 1.00 0.65 H new ATOM 0 HB ILE A 38 -10.011 2.331 2.746 1.00 0.61 H new ATOM 0 HG12 ILE A 38 -8.785 -0.174 3.931 1.00 0.53 H new ATOM 0 HG13 ILE A 38 -9.118 0.097 2.232 1.00 0.53 H new ATOM 0 HG21 ILE A 38 -8.682 2.768 4.781 1.00 0.67 H new ATOM 0 HG22 ILE A 38 -10.421 3.038 5.047 1.00 0.67 H new ATOM 0 HG23 ILE A 38 -9.646 1.556 5.658 1.00 0.67 H new ATOM 0 HD11 ILE A 38 -6.750 0.457 2.729 1.00 0.56 H new ATOM 0 HD12 ILE A 38 -7.514 1.976 2.203 1.00 0.56 H new ATOM 0 HD13 ILE A 38 -7.176 1.701 3.929 1.00 0.56 H new ATOM 572 N GLY A 39 -12.621 -0.568 2.157 1.00 0.72 N ATOM 573 CA GLY A 39 -13.175 -1.019 0.892 1.00 0.81 C ATOM 574 C GLY A 39 -12.170 -1.772 0.059 1.00 0.67 C ATOM 575 O GLY A 39 -12.328 -1.925 -1.154 1.00 0.72 O ATOM 0 H GLY A 39 -12.897 -1.127 2.965 1.00 0.72 H new ATOM 0 HA2 GLY A 39 -14.036 -1.659 1.084 1.00 0.81 H new ATOM 0 HA3 GLY A 39 -13.537 -0.158 0.330 1.00 0.81 H new ATOM 579 N TYR A 40 -11.139 -2.233 0.699 1.00 0.57 N ATOM 580 CA TYR A 40 -10.124 -2.991 0.045 1.00 0.54 C ATOM 581 C TYR A 40 -10.406 -4.445 0.181 1.00 0.64 C ATOM 582 O TYR A 40 -10.445 -4.988 1.282 1.00 0.79 O ATOM 583 CB TYR A 40 -8.740 -2.623 0.559 1.00 0.55 C ATOM 584 CG TYR A 40 -8.118 -1.531 -0.217 1.00 0.55 C ATOM 585 CD1 TYR A 40 -8.707 -0.289 -0.325 1.00 0.71 C ATOM 586 CD2 TYR A 40 -6.974 -1.768 -0.908 1.00 0.68 C ATOM 587 CE1 TYR A 40 -8.143 0.677 -1.105 1.00 0.87 C ATOM 588 CE2 TYR A 40 -6.420 -0.822 -1.700 1.00 0.82 C ATOM 589 CZ TYR A 40 -6.997 0.392 -1.799 1.00 0.89 C ATOM 590 OH TYR A 40 -6.460 1.302 -2.645 1.00 1.12 O ATOM 0 H TYR A 40 -10.980 -2.091 1.696 1.00 0.57 H new ATOM 0 HA TYR A 40 -10.134 -2.747 -1.017 1.00 0.54 H new ATOM 0 HB2 TYR A 40 -8.812 -2.325 1.605 1.00 0.55 H new ATOM 0 HB3 TYR A 40 -8.097 -3.502 0.522 1.00 0.55 H new ATOM 0 HD1 TYR A 40 -9.621 -0.080 0.211 1.00 0.71 H new ATOM 0 HD2 TYR A 40 -6.496 -2.733 -0.824 1.00 0.68 H new ATOM 0 HE1 TYR A 40 -8.595 1.656 -1.175 1.00 0.87 H new ATOM 0 HE2 TYR A 40 -5.517 -1.039 -2.252 1.00 0.82 H new ATOM 0 HH TYR A 40 -6.748 2.202 -2.384 1.00 1.12 H new ATOM 600 N ASP A 41 -10.624 -5.058 -0.938 1.00 0.68 N ATOM 601 CA ASP A 41 -10.990 -6.444 -1.012 1.00 0.90 C ATOM 602 C ASP A 41 -9.753 -7.328 -1.017 1.00 1.04 C ATOM 603 O ASP A 41 -9.534 -8.099 -0.086 1.00 1.93 O ATOM 604 CB ASP A 41 -11.879 -6.695 -2.273 1.00 1.00 C ATOM 605 CG ASP A 41 -11.199 -6.389 -3.626 1.00 1.48 C ATOM 606 OD1 ASP A 41 -10.273 -5.518 -3.686 1.00 2.20 O ATOM 607 OD2 ASP A 41 -11.570 -7.009 -4.642 1.00 2.00 O ATOM 0 H ASP A 41 -10.552 -4.603 -1.848 1.00 0.68 H new ATOM 0 HA ASP A 41 -11.572 -6.705 -0.128 1.00 0.90 H new ATOM 0 HB2 ASP A 41 -12.198 -7.737 -2.272 1.00 1.00 H new ATOM 0 HB3 ASP A 41 -12.779 -6.086 -2.191 1.00 1.00 H new ATOM 612 N SER A 42 -8.918 -7.119 -2.007 1.00 0.72 N ATOM 613 CA SER A 42 -7.734 -7.897 -2.273 1.00 0.68 C ATOM 614 C SER A 42 -7.150 -7.429 -3.602 1.00 0.54 C ATOM 615 O SER A 42 -5.947 -7.198 -3.717 1.00 0.51 O ATOM 616 CB SER A 42 -8.104 -9.386 -2.352 1.00 0.82 C ATOM 617 OG SER A 42 -9.286 -9.544 -3.215 1.00 0.86 O ATOM 0 H SER A 42 -9.054 -6.365 -2.681 1.00 0.72 H new ATOM 0 HA SER A 42 -7.001 -7.765 -1.477 1.00 0.68 H new ATOM 0 HB2 SER A 42 -7.268 -9.960 -2.751 1.00 0.82 H new ATOM 0 HB3 SER A 42 -8.312 -9.775 -1.355 1.00 0.82 H new ATOM 0 HG SER A 42 -9.526 -10.493 -3.271 1.00 0.86 H new ATOM 622 N LEU A 43 -8.029 -7.221 -4.586 1.00 0.52 N ATOM 623 CA LEU A 43 -7.622 -6.753 -5.904 1.00 0.48 C ATOM 624 C LEU A 43 -7.143 -5.338 -5.786 1.00 0.39 C ATOM 625 O LEU A 43 -6.066 -5.002 -6.267 1.00 0.37 O ATOM 626 CB LEU A 43 -8.779 -6.887 -6.930 1.00 0.64 C ATOM 627 CG LEU A 43 -8.486 -6.577 -8.433 1.00 0.83 C ATOM 628 CD1 LEU A 43 -9.629 -7.068 -9.286 1.00 1.64 C ATOM 629 CD2 LEU A 43 -8.297 -5.080 -8.697 1.00 1.57 C ATOM 0 H LEU A 43 -9.033 -7.372 -4.489 1.00 0.52 H new ATOM 0 HA LEU A 43 -6.807 -7.373 -6.277 1.00 0.48 H new ATOM 0 HB2 LEU A 43 -9.158 -7.907 -6.870 1.00 0.64 H new ATOM 0 HB3 LEU A 43 -9.585 -6.228 -6.607 1.00 0.64 H new ATOM 0 HG LEU A 43 -7.558 -7.089 -8.686 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -9.421 -6.850 -10.334 1.00 1.64 H new ATOM 0 HD12 LEU A 43 -9.745 -8.144 -9.155 1.00 1.64 H new ATOM 0 HD13 LEU A 43 -10.549 -6.565 -8.986 1.00 1.64 H new ATOM 0 HD21 LEU A 43 -8.096 -4.920 -9.756 1.00 1.57 H new ATOM 0 HD22 LEU A 43 -9.203 -4.543 -8.414 1.00 1.57 H new ATOM 0 HD23 LEU A 43 -7.458 -4.710 -8.108 1.00 1.57 H new ATOM 641 N ALA A 44 -7.916 -4.517 -5.116 1.00 0.41 N ATOM 642 CA ALA A 44 -7.534 -3.143 -4.927 1.00 0.39 C ATOM 643 C ALA A 44 -6.235 -3.067 -4.130 1.00 0.34 C ATOM 644 O ALA A 44 -5.361 -2.276 -4.435 1.00 0.35 O ATOM 645 CB ALA A 44 -8.648 -2.371 -4.230 1.00 0.49 C ATOM 0 H ALA A 44 -8.808 -4.777 -4.696 1.00 0.41 H new ATOM 0 HA ALA A 44 -7.367 -2.685 -5.902 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -8.342 -1.334 -4.095 1.00 0.49 H new ATOM 0 HB2 ALA A 44 -9.551 -2.407 -4.839 1.00 0.49 H new ATOM 0 HB3 ALA A 44 -8.848 -2.820 -3.257 1.00 0.49 H new ATOM 651 N LEU A 45 -6.102 -3.975 -3.163 1.00 0.37 N ATOM 652 CA LEU A 45 -4.963 -4.005 -2.244 1.00 0.42 C ATOM 653 C LEU A 45 -3.669 -4.290 -3.016 1.00 0.39 C ATOM 654 O LEU A 45 -2.674 -3.571 -2.900 1.00 0.43 O ATOM 655 CB LEU A 45 -5.173 -5.127 -1.214 1.00 0.54 C ATOM 656 CG LEU A 45 -4.628 -4.928 0.214 1.00 0.57 C ATOM 657 CD1 LEU A 45 -4.404 -6.253 0.879 1.00 0.75 C ATOM 658 CD2 LEU A 45 -3.375 -4.089 0.272 1.00 0.94 C ATOM 0 H LEU A 45 -6.784 -4.714 -2.994 1.00 0.37 H new ATOM 0 HA LEU A 45 -4.886 -3.038 -1.746 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -6.245 -5.309 -1.137 1.00 0.54 H new ATOM 0 HB3 LEU A 45 -4.723 -6.035 -1.617 1.00 0.54 H new ATOM 0 HG LEU A 45 -5.392 -4.371 0.756 1.00 0.57 H new ATOM 0 HD11 LEU A 45 -4.019 -6.094 1.886 1.00 0.75 H new ATOM 0 HD12 LEU A 45 -5.347 -6.797 0.932 1.00 0.75 H new ATOM 0 HD13 LEU A 45 -3.683 -6.832 0.302 1.00 0.75 H new ATOM 0 HD21 LEU A 45 -3.050 -3.992 1.308 1.00 0.94 H new ATOM 0 HD22 LEU A 45 -2.589 -4.568 -0.312 1.00 0.94 H new ATOM 0 HD23 LEU A 45 -3.580 -3.100 -0.138 1.00 0.94 H new ATOM 670 N MET A 46 -3.708 -5.338 -3.805 1.00 0.36 N ATOM 671 CA MET A 46 -2.544 -5.786 -4.553 1.00 0.41 C ATOM 672 C MET A 46 -2.136 -4.763 -5.597 1.00 0.39 C ATOM 673 O MET A 46 -0.960 -4.615 -5.893 1.00 0.49 O ATOM 674 CB MET A 46 -2.816 -7.162 -5.191 1.00 0.43 C ATOM 675 CG MET A 46 -3.903 -7.182 -6.254 1.00 0.34 C ATOM 676 SD MET A 46 -3.321 -6.719 -7.902 1.00 0.73 S ATOM 677 CE MET A 46 -4.833 -6.866 -8.847 1.00 1.38 C ATOM 0 H MET A 46 -4.542 -5.907 -3.950 1.00 0.36 H new ATOM 0 HA MET A 46 -1.709 -5.891 -3.860 1.00 0.41 H new ATOM 0 HB2 MET A 46 -1.890 -7.528 -5.635 1.00 0.43 H new ATOM 0 HB3 MET A 46 -3.090 -7.862 -4.402 1.00 0.43 H new ATOM 0 HG2 MET A 46 -4.336 -8.181 -6.299 1.00 0.34 H new ATOM 0 HG3 MET A 46 -4.701 -6.502 -5.957 1.00 0.34 H new ATOM 0 HE1 MET A 46 -4.599 -6.858 -9.912 1.00 1.38 H new ATOM 0 HE2 MET A 46 -5.332 -7.801 -8.592 1.00 1.38 H new ATOM 0 HE3 MET A 46 -5.491 -6.028 -8.614 1.00 1.38 H new ATOM 687 N GLU A 47 -3.110 -4.022 -6.106 1.00 0.31 N ATOM 688 CA GLU A 47 -2.859 -3.055 -7.137 1.00 0.37 C ATOM 689 C GLU A 47 -2.118 -1.840 -6.560 1.00 0.34 C ATOM 690 O GLU A 47 -1.293 -1.217 -7.246 1.00 0.38 O ATOM 691 CB GLU A 47 -4.166 -2.692 -7.843 1.00 0.44 C ATOM 692 CG GLU A 47 -3.994 -1.790 -9.037 1.00 0.62 C ATOM 693 CD GLU A 47 -5.233 -1.698 -9.876 1.00 0.99 C ATOM 694 OE1 GLU A 47 -5.432 -2.539 -10.757 1.00 1.45 O ATOM 695 OE2 GLU A 47 -6.064 -0.789 -9.631 1.00 1.76 O ATOM 0 H GLU A 47 -4.085 -4.081 -5.812 1.00 0.31 H new ATOM 0 HA GLU A 47 -2.203 -3.481 -7.896 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -4.660 -3.610 -8.163 1.00 0.44 H new ATOM 0 HB3 GLU A 47 -4.829 -2.206 -7.127 1.00 0.44 H new ATOM 0 HG2 GLU A 47 -3.716 -0.793 -8.697 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -3.172 -2.158 -9.650 1.00 0.62 H new ATOM 702 N THR A 48 -2.381 -1.544 -5.291 1.00 0.32 N ATOM 703 CA THR A 48 -1.663 -0.512 -4.575 1.00 0.33 C ATOM 704 C THR A 48 -0.178 -0.915 -4.526 1.00 0.32 C ATOM 705 O THR A 48 0.712 -0.153 -4.955 1.00 0.35 O ATOM 706 CB THR A 48 -2.177 -0.441 -3.123 1.00 0.38 C ATOM 707 OG1 THR A 48 -3.598 -0.355 -3.107 1.00 0.49 O ATOM 708 CG2 THR A 48 -1.592 0.756 -2.399 1.00 0.41 C ATOM 0 H THR A 48 -3.097 -2.015 -4.737 1.00 0.32 H new ATOM 0 HA THR A 48 -1.803 0.449 -5.070 1.00 0.33 H new ATOM 0 HB THR A 48 -1.862 -1.350 -2.611 1.00 0.38 H new ATOM 0 HG1 THR A 48 -3.914 -0.002 -3.965 1.00 0.49 H new ATOM 0 HG21 THR A 48 -1.970 0.784 -1.377 1.00 0.41 H new ATOM 0 HG22 THR A 48 -0.505 0.675 -2.382 1.00 0.41 H new ATOM 0 HG23 THR A 48 -1.880 1.671 -2.917 1.00 0.41 H new ATOM 716 N ALA A 49 0.061 -2.127 -4.009 1.00 0.32 N ATOM 717 CA ALA A 49 1.395 -2.678 -3.862 1.00 0.33 C ATOM 718 C ALA A 49 2.114 -2.713 -5.195 1.00 0.30 C ATOM 719 O ALA A 49 3.190 -2.151 -5.319 1.00 0.29 O ATOM 720 CB ALA A 49 1.336 -4.077 -3.266 1.00 0.40 C ATOM 0 H ALA A 49 -0.678 -2.749 -3.682 1.00 0.32 H new ATOM 0 HA ALA A 49 1.951 -2.031 -3.184 1.00 0.33 H new ATOM 0 HB1 ALA A 49 2.347 -4.472 -3.164 1.00 0.40 H new ATOM 0 HB2 ALA A 49 0.862 -4.035 -2.285 1.00 0.40 H new ATOM 0 HB3 ALA A 49 0.757 -4.727 -3.921 1.00 0.40 H new ATOM 726 N ALA A 50 1.471 -3.315 -6.194 1.00 0.31 N ATOM 727 CA ALA A 50 2.027 -3.479 -7.539 1.00 0.35 C ATOM 728 C ALA A 50 2.527 -2.166 -8.121 1.00 0.33 C ATOM 729 O ALA A 50 3.638 -2.097 -8.655 1.00 0.37 O ATOM 730 CB ALA A 50 0.986 -4.082 -8.458 1.00 0.44 C ATOM 0 H ALA A 50 0.536 -3.709 -6.092 1.00 0.31 H new ATOM 0 HA ALA A 50 2.883 -4.148 -7.456 1.00 0.35 H new ATOM 0 HB1 ALA A 50 1.407 -4.201 -9.456 1.00 0.44 H new ATOM 0 HB2 ALA A 50 0.682 -5.056 -8.074 1.00 0.44 H new ATOM 0 HB3 ALA A 50 0.118 -3.424 -8.506 1.00 0.44 H new ATOM 736 N ARG A 51 1.724 -1.118 -7.982 1.00 0.31 N ATOM 737 CA ARG A 51 2.075 0.192 -8.508 1.00 0.36 C ATOM 738 C ARG A 51 3.328 0.732 -7.808 1.00 0.30 C ATOM 739 O ARG A 51 4.250 1.258 -8.454 1.00 0.34 O ATOM 740 CB ARG A 51 0.900 1.163 -8.335 1.00 0.46 C ATOM 741 CG ARG A 51 1.130 2.531 -8.951 1.00 0.91 C ATOM 742 CD ARG A 51 -0.102 3.403 -8.839 1.00 1.03 C ATOM 743 NE ARG A 51 0.097 4.720 -9.453 1.00 1.65 N ATOM 744 CZ ARG A 51 -0.518 5.152 -10.566 1.00 2.23 C ATOM 745 NH1 ARG A 51 -1.301 4.332 -11.264 1.00 2.58 N ATOM 746 NH2 ARG A 51 -0.358 6.403 -10.969 1.00 3.05 N ATOM 0 H ARG A 51 0.822 -1.152 -7.507 1.00 0.31 H new ATOM 0 HA ARG A 51 2.292 0.095 -9.572 1.00 0.36 H new ATOM 0 HB2 ARG A 51 0.009 0.721 -8.781 1.00 0.46 H new ATOM 0 HB3 ARG A 51 0.697 1.285 -7.271 1.00 0.46 H new ATOM 0 HG2 ARG A 51 1.969 3.019 -8.454 1.00 0.91 H new ATOM 0 HG3 ARG A 51 1.403 2.418 -10.000 1.00 0.91 H new ATOM 0 HD2 ARG A 51 -0.944 2.904 -9.318 1.00 1.03 H new ATOM 0 HD3 ARG A 51 -0.362 3.529 -7.788 1.00 1.03 H new ATOM 0 HE ARG A 51 0.753 5.357 -9.000 1.00 1.65 H new ATOM 0 HH11 ARG A 51 -1.437 3.370 -10.954 1.00 2.58 H new ATOM 0 HH12 ARG A 51 -1.765 4.666 -12.108 1.00 2.58 H new ATOM 0 HH21 ARG A 51 0.233 7.040 -10.434 1.00 3.05 H new ATOM 0 HH22 ARG A 51 -0.825 6.730 -11.814 1.00 3.05 H new ATOM 760 N LEU A 52 3.367 0.584 -6.499 1.00 0.25 N ATOM 761 CA LEU A 52 4.497 1.041 -5.702 1.00 0.24 C ATOM 762 C LEU A 52 5.753 0.212 -5.977 1.00 0.22 C ATOM 763 O LEU A 52 6.836 0.771 -6.165 1.00 0.26 O ATOM 764 CB LEU A 52 4.130 1.069 -4.219 1.00 0.28 C ATOM 765 CG LEU A 52 2.994 2.040 -3.853 1.00 0.35 C ATOM 766 CD1 LEU A 52 2.630 1.931 -2.387 1.00 0.43 C ATOM 767 CD2 LEU A 52 3.386 3.470 -4.195 1.00 0.41 C ATOM 0 H LEU A 52 2.622 0.146 -5.956 1.00 0.25 H new ATOM 0 HA LEU A 52 4.735 2.062 -5.999 1.00 0.24 H new ATOM 0 HB2 LEU A 52 3.843 0.064 -3.911 1.00 0.28 H new ATOM 0 HB3 LEU A 52 5.017 1.337 -3.645 1.00 0.28 H new ATOM 0 HG LEU A 52 2.117 1.765 -4.439 1.00 0.35 H new ATOM 0 HD11 LEU A 52 1.825 2.629 -2.159 1.00 0.43 H new ATOM 0 HD12 LEU A 52 2.302 0.915 -2.168 1.00 0.43 H new ATOM 0 HD13 LEU A 52 3.501 2.170 -1.777 1.00 0.43 H new ATOM 0 HD21 LEU A 52 2.571 4.144 -3.930 1.00 0.41 H new ATOM 0 HD22 LEU A 52 4.281 3.745 -3.637 1.00 0.41 H new ATOM 0 HD23 LEU A 52 3.587 3.547 -5.264 1.00 0.41 H new ATOM 779 N GLU A 53 5.592 -1.111 -6.039 1.00 0.20 N ATOM 780 CA GLU A 53 6.684 -2.030 -6.349 1.00 0.25 C ATOM 781 C GLU A 53 7.313 -1.668 -7.672 1.00 0.29 C ATOM 782 O GLU A 53 8.535 -1.550 -7.779 1.00 0.32 O ATOM 783 CB GLU A 53 6.192 -3.468 -6.454 1.00 0.28 C ATOM 784 CG GLU A 53 5.639 -4.068 -5.190 1.00 0.30 C ATOM 785 CD GLU A 53 5.177 -5.480 -5.428 1.00 0.36 C ATOM 786 OE1 GLU A 53 6.027 -6.385 -5.548 1.00 0.50 O ATOM 787 OE2 GLU A 53 3.971 -5.709 -5.559 1.00 0.55 O ATOM 0 H GLU A 53 4.698 -1.574 -5.875 1.00 0.20 H new ATOM 0 HA GLU A 53 7.407 -1.947 -5.538 1.00 0.25 H new ATOM 0 HB2 GLU A 53 5.420 -3.512 -7.222 1.00 0.28 H new ATOM 0 HB3 GLU A 53 7.019 -4.090 -6.797 1.00 0.28 H new ATOM 0 HG2 GLU A 53 6.402 -4.056 -4.412 1.00 0.30 H new ATOM 0 HG3 GLU A 53 4.807 -3.464 -4.829 1.00 0.30 H new ATOM 794 N SER A 54 6.462 -1.447 -8.645 1.00 0.35 N ATOM 795 CA SER A 54 6.856 -1.158 -10.003 1.00 0.46 C ATOM 796 C SER A 54 7.677 0.147 -10.082 1.00 0.42 C ATOM 797 O SER A 54 8.676 0.228 -10.816 1.00 0.46 O ATOM 798 CB SER A 54 5.592 -1.059 -10.869 1.00 0.61 C ATOM 799 OG SER A 54 5.890 -1.001 -12.244 1.00 1.51 O ATOM 0 H SER A 54 5.451 -1.464 -8.511 1.00 0.35 H new ATOM 0 HA SER A 54 7.495 -1.961 -10.372 1.00 0.46 H new ATOM 0 HB2 SER A 54 4.952 -1.920 -10.674 1.00 0.61 H new ATOM 0 HB3 SER A 54 5.027 -0.171 -10.584 1.00 0.61 H new ATOM 0 HG SER A 54 5.057 -0.940 -12.757 1.00 1.51 H new ATOM 805 N ARG A 55 7.296 1.136 -9.284 1.00 0.40 N ATOM 806 CA ARG A 55 7.960 2.438 -9.303 1.00 0.45 C ATOM 807 C ARG A 55 9.412 2.340 -8.805 1.00 0.43 C ATOM 808 O ARG A 55 10.266 3.131 -9.187 1.00 0.49 O ATOM 809 CB ARG A 55 7.211 3.449 -8.427 1.00 0.54 C ATOM 810 CG ARG A 55 7.697 4.885 -8.605 1.00 0.70 C ATOM 811 CD ARG A 55 7.198 5.810 -7.509 1.00 1.09 C ATOM 812 NE ARG A 55 5.733 5.856 -7.382 1.00 1.64 N ATOM 813 CZ ARG A 55 5.098 6.205 -6.247 1.00 2.34 C ATOM 814 NH1 ARG A 55 5.781 6.354 -5.128 1.00 2.65 N ATOM 815 NH2 ARG A 55 3.780 6.366 -6.226 1.00 3.15 N ATOM 0 H ARG A 55 6.530 1.064 -8.614 1.00 0.40 H new ATOM 0 HA ARG A 55 7.959 2.775 -10.340 1.00 0.45 H new ATOM 0 HB2 ARG A 55 6.147 3.402 -8.660 1.00 0.54 H new ATOM 0 HB3 ARG A 55 7.321 3.163 -7.381 1.00 0.54 H new ATOM 0 HG2 ARG A 55 8.787 4.897 -8.617 1.00 0.70 H new ATOM 0 HG3 ARG A 55 7.363 5.260 -9.572 1.00 0.70 H new ATOM 0 HD2 ARG A 55 7.625 5.492 -6.558 1.00 1.09 H new ATOM 0 HD3 ARG A 55 7.567 6.817 -7.703 1.00 1.09 H new ATOM 0 HE ARG A 55 5.169 5.611 -8.196 1.00 1.64 H new ATOM 0 HH11 ARG A 55 6.790 6.205 -5.123 1.00 2.65 H new ATOM 0 HH12 ARG A 55 5.300 6.618 -4.268 1.00 2.65 H new ATOM 0 HH21 ARG A 55 3.235 6.225 -7.077 1.00 3.15 H new ATOM 0 HH22 ARG A 55 3.312 6.631 -5.359 1.00 3.15 H new ATOM 829 N TYR A 56 9.687 1.387 -7.949 1.00 0.40 N ATOM 830 CA TYR A 56 11.009 1.315 -7.343 1.00 0.48 C ATOM 831 C TYR A 56 11.793 0.078 -7.743 1.00 0.49 C ATOM 832 O TYR A 56 13.002 0.008 -7.525 1.00 0.63 O ATOM 833 CB TYR A 56 10.890 1.408 -5.831 1.00 0.57 C ATOM 834 CG TYR A 56 10.248 2.692 -5.364 1.00 0.62 C ATOM 835 CD1 TYR A 56 11.000 3.842 -5.204 1.00 0.83 C ATOM 836 CD2 TYR A 56 8.887 2.752 -5.091 1.00 0.58 C ATOM 837 CE1 TYR A 56 10.417 5.013 -4.791 1.00 0.94 C ATOM 838 CE2 TYR A 56 8.300 3.914 -4.684 1.00 0.69 C ATOM 839 CZ TYR A 56 9.069 5.046 -4.536 1.00 0.87 C ATOM 840 OH TYR A 56 8.481 6.218 -4.144 1.00 1.01 O ATOM 0 H TYR A 56 9.034 0.661 -7.656 1.00 0.40 H new ATOM 0 HA TYR A 56 11.576 2.165 -7.724 1.00 0.48 H new ATOM 0 HB2 TYR A 56 10.306 0.563 -5.466 1.00 0.57 H new ATOM 0 HB3 TYR A 56 11.883 1.324 -5.389 1.00 0.57 H new ATOM 0 HD1 TYR A 56 12.060 3.818 -5.407 1.00 0.83 H new ATOM 0 HD2 TYR A 56 8.284 1.863 -5.203 1.00 0.58 H new ATOM 0 HE1 TYR A 56 11.015 5.904 -4.667 1.00 0.94 H new ATOM 0 HE2 TYR A 56 7.240 3.946 -4.479 1.00 0.69 H new ATOM 0 HH TYR A 56 8.969 6.974 -4.532 1.00 1.01 H new ATOM 850 N GLY A 57 11.122 -0.883 -8.318 1.00 0.42 N ATOM 851 CA GLY A 57 11.779 -2.108 -8.693 1.00 0.47 C ATOM 852 C GLY A 57 11.936 -3.020 -7.497 1.00 0.48 C ATOM 853 O GLY A 57 12.936 -3.743 -7.369 1.00 0.64 O ATOM 0 H GLY A 57 10.126 -0.844 -8.537 1.00 0.42 H new ATOM 0 HA2 GLY A 57 11.202 -2.613 -9.468 1.00 0.47 H new ATOM 0 HA3 GLY A 57 12.758 -1.886 -9.118 1.00 0.47 H new ATOM 857 N VAL A 58 10.957 -2.980 -6.610 1.00 0.37 N ATOM 858 CA VAL A 58 10.979 -3.806 -5.423 1.00 0.39 C ATOM 859 C VAL A 58 10.043 -4.977 -5.623 1.00 0.37 C ATOM 860 O VAL A 58 9.382 -5.057 -6.664 1.00 0.39 O ATOM 861 CB VAL A 58 10.634 -3.035 -4.102 1.00 0.47 C ATOM 862 CG1 VAL A 58 11.568 -1.861 -3.904 1.00 0.61 C ATOM 863 CG2 VAL A 58 9.188 -2.562 -4.075 1.00 0.50 C ATOM 0 H VAL A 58 10.136 -2.381 -6.693 1.00 0.37 H new ATOM 0 HA VAL A 58 12.004 -4.152 -5.290 1.00 0.39 H new ATOM 0 HB VAL A 58 10.768 -3.739 -3.281 1.00 0.47 H new ATOM 0 HG11 VAL A 58 11.309 -1.342 -2.981 1.00 0.61 H new ATOM 0 HG12 VAL A 58 12.595 -2.220 -3.842 1.00 0.61 H new ATOM 0 HG13 VAL A 58 11.473 -1.175 -4.745 1.00 0.61 H new ATOM 0 HG21 VAL A 58 8.995 -2.033 -3.141 1.00 0.50 H new ATOM 0 HG22 VAL A 58 9.009 -1.891 -4.915 1.00 0.50 H new ATOM 0 HG23 VAL A 58 8.522 -3.422 -4.149 1.00 0.50 H new ATOM 873 N SER A 59 9.971 -5.862 -4.668 1.00 0.42 N ATOM 874 CA SER A 59 9.130 -7.005 -4.800 1.00 0.50 C ATOM 875 C SER A 59 8.542 -7.354 -3.442 1.00 0.48 C ATOM 876 O SER A 59 9.276 -7.522 -2.453 1.00 0.61 O ATOM 877 CB SER A 59 9.947 -8.175 -5.372 1.00 0.68 C ATOM 878 OG SER A 59 9.129 -9.272 -5.739 1.00 1.55 O ATOM 0 H SER A 59 10.488 -5.808 -3.790 1.00 0.42 H new ATOM 0 HA SER A 59 8.309 -6.794 -5.486 1.00 0.50 H new ATOM 0 HB2 SER A 59 10.506 -7.834 -6.243 1.00 0.68 H new ATOM 0 HB3 SER A 59 10.678 -8.501 -4.632 1.00 0.68 H new ATOM 0 HG SER A 59 9.689 -9.991 -6.099 1.00 1.55 H new ATOM 884 N ILE A 60 7.248 -7.363 -3.374 1.00 0.42 N ATOM 885 CA ILE A 60 6.540 -7.747 -2.187 1.00 0.43 C ATOM 886 C ILE A 60 6.038 -9.162 -2.366 1.00 0.48 C ATOM 887 O ILE A 60 5.422 -9.470 -3.390 1.00 0.51 O ATOM 888 CB ILE A 60 5.327 -6.807 -1.911 1.00 0.39 C ATOM 889 CG1 ILE A 60 5.804 -5.373 -1.692 1.00 0.42 C ATOM 890 CG2 ILE A 60 4.507 -7.291 -0.704 1.00 0.44 C ATOM 891 CD1 ILE A 60 4.682 -4.383 -1.526 1.00 0.50 C ATOM 0 H ILE A 60 6.642 -7.100 -4.151 1.00 0.42 H new ATOM 0 HA ILE A 60 7.220 -7.675 -1.338 1.00 0.43 H new ATOM 0 HB ILE A 60 4.678 -6.832 -2.786 1.00 0.39 H new ATOM 0 HG12 ILE A 60 6.439 -5.341 -0.807 1.00 0.42 H new ATOM 0 HG13 ILE A 60 6.421 -5.071 -2.538 1.00 0.42 H new ATOM 0 HG21 ILE A 60 3.669 -6.614 -0.538 1.00 0.44 H new ATOM 0 HG22 ILE A 60 4.130 -8.295 -0.899 1.00 0.44 H new ATOM 0 HG23 ILE A 60 5.140 -7.308 0.183 1.00 0.44 H new ATOM 0 HD11 ILE A 60 5.096 -3.386 -1.375 1.00 0.50 H new ATOM 0 HD12 ILE A 60 4.059 -4.385 -2.421 1.00 0.50 H new ATOM 0 HD13 ILE A 60 4.077 -4.660 -0.662 1.00 0.50 H new ATOM 903 N PRO A 61 6.345 -10.057 -1.422 1.00 0.55 N ATOM 904 CA PRO A 61 5.808 -11.410 -1.434 1.00 0.61 C ATOM 905 C PRO A 61 4.286 -11.359 -1.436 1.00 0.52 C ATOM 906 O PRO A 61 3.683 -10.746 -0.547 1.00 0.43 O ATOM 907 CB PRO A 61 6.307 -11.998 -0.116 1.00 0.69 C ATOM 908 CG PRO A 61 7.536 -11.223 0.190 1.00 0.75 C ATOM 909 CD PRO A 61 7.263 -9.836 -0.291 1.00 0.63 C ATOM 0 HA PRO A 61 6.112 -11.989 -2.306 1.00 0.61 H new ATOM 0 HB2 PRO A 61 5.563 -11.892 0.674 1.00 0.69 H new ATOM 0 HB3 PRO A 61 6.521 -13.062 -0.211 1.00 0.69 H new ATOM 0 HG2 PRO A 61 7.750 -11.233 1.259 1.00 0.75 H new ATOM 0 HG3 PRO A 61 8.404 -11.649 -0.313 1.00 0.75 H new ATOM 0 HD2 PRO A 61 6.808 -9.221 0.485 1.00 0.63 H new ATOM 0 HD3 PRO A 61 8.176 -9.330 -0.604 1.00 0.63 H new ATOM 917 N ASP A 62 3.680 -11.973 -2.432 1.00 0.58 N ATOM 918 CA ASP A 62 2.226 -11.962 -2.608 1.00 0.57 C ATOM 919 C ASP A 62 1.498 -12.510 -1.386 1.00 0.48 C ATOM 920 O ASP A 62 0.465 -11.996 -1.003 1.00 0.49 O ATOM 921 CB ASP A 62 1.791 -12.719 -3.880 1.00 0.74 C ATOM 922 CG ASP A 62 2.016 -14.210 -3.820 1.00 1.16 C ATOM 923 OD1 ASP A 62 3.169 -14.662 -4.033 1.00 1.38 O ATOM 924 OD2 ASP A 62 1.060 -14.953 -3.567 1.00 1.91 O ATOM 0 H ASP A 62 4.177 -12.499 -3.151 1.00 0.58 H new ATOM 0 HA ASP A 62 1.942 -10.916 -2.727 1.00 0.57 H new ATOM 0 HB2 ASP A 62 0.732 -12.530 -4.058 1.00 0.74 H new ATOM 0 HB3 ASP A 62 2.335 -12.315 -4.734 1.00 0.74 H new ATOM 929 N ASP A 63 2.080 -13.497 -0.730 1.00 0.51 N ATOM 930 CA ASP A 63 1.454 -14.094 0.450 1.00 0.55 C ATOM 931 C ASP A 63 1.589 -13.148 1.647 1.00 0.45 C ATOM 932 O ASP A 63 0.737 -13.101 2.538 1.00 0.48 O ATOM 933 CB ASP A 63 2.083 -15.456 0.745 1.00 0.80 C ATOM 934 CG ASP A 63 1.424 -16.201 1.888 1.00 1.25 C ATOM 935 OD1 ASP A 63 0.188 -16.266 1.921 1.00 1.88 O ATOM 936 OD2 ASP A 63 2.142 -16.661 2.822 1.00 1.94 O ATOM 0 H ASP A 63 2.979 -13.905 -0.987 1.00 0.51 H new ATOM 0 HA ASP A 63 0.392 -14.248 0.258 1.00 0.55 H new ATOM 0 HB2 ASP A 63 2.033 -16.071 -0.154 1.00 0.80 H new ATOM 0 HB3 ASP A 63 3.139 -15.315 0.976 1.00 0.80 H new ATOM 941 N VAL A 64 2.632 -12.335 1.609 1.00 0.43 N ATOM 942 CA VAL A 64 2.892 -11.348 2.637 1.00 0.43 C ATOM 943 C VAL A 64 2.021 -10.098 2.412 1.00 0.34 C ATOM 944 O VAL A 64 1.746 -9.333 3.341 1.00 0.37 O ATOM 945 CB VAL A 64 4.415 -11.009 2.772 1.00 0.57 C ATOM 946 CG1 VAL A 64 4.683 -9.935 3.825 1.00 0.66 C ATOM 947 CG2 VAL A 64 5.185 -12.271 3.127 1.00 0.70 C ATOM 0 H VAL A 64 3.324 -12.343 0.859 1.00 0.43 H new ATOM 0 HA VAL A 64 2.608 -11.780 3.597 1.00 0.43 H new ATOM 0 HB VAL A 64 4.748 -10.615 1.812 1.00 0.57 H new ATOM 0 HG11 VAL A 64 5.754 -9.737 3.879 1.00 0.66 H new ATOM 0 HG12 VAL A 64 4.158 -9.019 3.553 1.00 0.66 H new ATOM 0 HG13 VAL A 64 4.329 -10.281 4.796 1.00 0.66 H new ATOM 0 HG21 VAL A 64 6.245 -12.036 3.221 1.00 0.70 H new ATOM 0 HG22 VAL A 64 4.816 -12.668 4.073 1.00 0.70 H new ATOM 0 HG23 VAL A 64 5.047 -13.015 2.342 1.00 0.70 H new ATOM 957 N ALA A 65 1.555 -9.911 1.175 1.00 0.32 N ATOM 958 CA ALA A 65 0.607 -8.829 0.860 1.00 0.34 C ATOM 959 C ALA A 65 -0.713 -9.048 1.611 1.00 0.37 C ATOM 960 O ALA A 65 -1.475 -8.126 1.828 1.00 0.46 O ATOM 961 CB ALA A 65 0.372 -8.699 -0.647 1.00 0.42 C ATOM 0 H ALA A 65 1.814 -10.489 0.376 1.00 0.32 H new ATOM 0 HA ALA A 65 1.046 -7.889 1.194 1.00 0.34 H new ATOM 0 HB1 ALA A 65 -0.333 -7.890 -0.837 1.00 0.42 H new ATOM 0 HB2 ALA A 65 1.317 -8.481 -1.145 1.00 0.42 H new ATOM 0 HB3 ALA A 65 -0.035 -9.633 -1.034 1.00 0.42 H new ATOM 967 N GLY A 66 -0.955 -10.292 2.014 1.00 0.39 N ATOM 968 CA GLY A 66 -2.119 -10.596 2.825 1.00 0.50 C ATOM 969 C GLY A 66 -1.794 -10.523 4.313 1.00 0.52 C ATOM 970 O GLY A 66 -2.656 -10.723 5.170 1.00 0.73 O ATOM 0 H GLY A 66 -0.365 -11.094 1.793 1.00 0.39 H new ATOM 0 HA2 GLY A 66 -2.920 -9.895 2.591 1.00 0.50 H new ATOM 0 HA3 GLY A 66 -2.485 -11.593 2.579 1.00 0.50 H new ATOM 974 N ARG A 67 -0.544 -10.237 4.619 1.00 0.42 N ATOM 975 CA ARG A 67 -0.073 -10.151 5.992 1.00 0.50 C ATOM 976 C ARG A 67 0.030 -8.707 6.463 1.00 0.49 C ATOM 977 O ARG A 67 0.166 -8.428 7.663 1.00 0.60 O ATOM 978 CB ARG A 67 1.236 -10.920 6.174 1.00 0.56 C ATOM 979 CG ARG A 67 1.036 -12.412 6.092 1.00 1.09 C ATOM 980 CD ARG A 67 2.307 -13.183 6.341 1.00 1.24 C ATOM 981 NE ARG A 67 2.042 -14.624 6.314 1.00 2.11 N ATOM 982 CZ ARG A 67 2.906 -15.559 5.935 1.00 2.57 C ATOM 983 NH1 ARG A 67 4.178 -15.252 5.739 1.00 2.21 N ATOM 984 NH2 ARG A 67 2.512 -16.813 5.819 1.00 3.62 N ATOM 0 H ARG A 67 0.178 -10.057 3.922 1.00 0.42 H new ATOM 0 HA ARG A 67 -0.816 -10.629 6.631 1.00 0.50 H new ATOM 0 HB2 ARG A 67 1.948 -10.608 5.410 1.00 0.56 H new ATOM 0 HB3 ARG A 67 1.673 -10.666 7.140 1.00 0.56 H new ATOM 0 HG2 ARG A 67 0.284 -12.714 6.821 1.00 1.09 H new ATOM 0 HG3 ARG A 67 0.647 -12.669 5.107 1.00 1.09 H new ATOM 0 HD2 ARG A 67 3.049 -12.929 5.584 1.00 1.24 H new ATOM 0 HD3 ARG A 67 2.728 -12.902 7.306 1.00 1.24 H new ATOM 0 HE ARG A 67 1.117 -14.935 6.611 1.00 2.11 H new ATOM 0 HH11 ARG A 67 4.499 -14.294 5.879 1.00 2.21 H new ATOM 0 HH12 ARG A 67 4.838 -15.973 5.448 1.00 2.21 H new ATOM 0 HH21 ARG A 67 1.544 -17.064 6.020 1.00 3.62 H new ATOM 0 HH22 ARG A 67 3.175 -17.531 5.528 1.00 3.62 H new ATOM 998 N VAL A 68 0.017 -7.803 5.528 1.00 0.44 N ATOM 999 CA VAL A 68 -0.051 -6.390 5.823 1.00 0.44 C ATOM 1000 C VAL A 68 -1.523 -5.989 5.975 1.00 0.52 C ATOM 1001 O VAL A 68 -2.253 -5.900 5.010 1.00 0.94 O ATOM 1002 CB VAL A 68 0.681 -5.532 4.740 1.00 0.46 C ATOM 1003 CG1 VAL A 68 2.180 -5.747 4.835 1.00 0.50 C ATOM 1004 CG2 VAL A 68 0.218 -5.878 3.332 1.00 0.57 C ATOM 0 H VAL A 68 0.053 -8.020 4.532 1.00 0.44 H new ATOM 0 HA VAL A 68 0.471 -6.193 6.759 1.00 0.44 H new ATOM 0 HB VAL A 68 0.436 -4.488 4.933 1.00 0.46 H new ATOM 0 HG11 VAL A 68 2.683 -5.146 4.077 1.00 0.50 H new ATOM 0 HG12 VAL A 68 2.528 -5.449 5.824 1.00 0.50 H new ATOM 0 HG13 VAL A 68 2.408 -6.800 4.672 1.00 0.50 H new ATOM 0 HG21 VAL A 68 0.752 -5.259 2.611 1.00 0.57 H new ATOM 0 HG22 VAL A 68 0.423 -6.929 3.130 1.00 0.57 H new ATOM 0 HG23 VAL A 68 -0.853 -5.694 3.246 1.00 0.57 H new ATOM 1014 N ASP A 69 -1.979 -5.857 7.194 1.00 0.40 N ATOM 1015 CA ASP A 69 -3.389 -5.548 7.423 1.00 0.57 C ATOM 1016 C ASP A 69 -3.633 -4.069 7.555 1.00 0.40 C ATOM 1017 O ASP A 69 -4.750 -3.584 7.315 1.00 0.48 O ATOM 1018 CB ASP A 69 -3.951 -6.299 8.623 1.00 0.94 C ATOM 1019 CG ASP A 69 -3.346 -5.940 9.958 1.00 1.52 C ATOM 1020 OD1 ASP A 69 -2.264 -6.420 10.293 1.00 1.76 O ATOM 1021 OD2 ASP A 69 -3.936 -5.099 10.677 1.00 2.46 O ATOM 0 H ASP A 69 -1.415 -5.954 8.038 1.00 0.40 H new ATOM 0 HA ASP A 69 -3.923 -5.891 6.537 1.00 0.57 H new ATOM 0 HB2 ASP A 69 -5.025 -6.120 8.671 1.00 0.94 H new ATOM 0 HB3 ASP A 69 -3.813 -7.368 8.457 1.00 0.94 H new ATOM 1026 N THR A 70 -2.614 -3.354 7.920 1.00 0.35 N ATOM 1027 CA THR A 70 -2.708 -1.927 8.044 1.00 0.30 C ATOM 1028 C THR A 70 -1.841 -1.247 6.983 1.00 0.26 C ATOM 1029 O THR A 70 -0.763 -1.762 6.627 1.00 0.26 O ATOM 1030 CB THR A 70 -2.306 -1.464 9.460 1.00 0.44 C ATOM 1031 OG1 THR A 70 -0.967 -1.900 9.769 1.00 0.54 O ATOM 1032 CG2 THR A 70 -3.274 -2.036 10.481 1.00 0.52 C ATOM 0 H THR A 70 -1.695 -3.739 8.140 1.00 0.35 H new ATOM 0 HA THR A 70 -3.746 -1.637 7.884 1.00 0.30 H new ATOM 0 HB THR A 70 -2.340 -0.375 9.495 1.00 0.44 H new ATOM 0 HG1 THR A 70 -0.724 -1.598 10.669 1.00 0.54 H new ATOM 0 HG21 THR A 70 -2.986 -1.707 11.479 1.00 0.52 H new ATOM 0 HG22 THR A 70 -4.283 -1.688 10.261 1.00 0.52 H new ATOM 0 HG23 THR A 70 -3.248 -3.125 10.437 1.00 0.52 H new ATOM 1040 N PRO A 71 -2.305 -0.114 6.424 1.00 0.27 N ATOM 1041 CA PRO A 71 -1.571 0.632 5.407 1.00 0.28 C ATOM 1042 C PRO A 71 -0.201 1.051 5.893 1.00 0.27 C ATOM 1043 O PRO A 71 0.749 1.008 5.141 1.00 0.30 O ATOM 1044 CB PRO A 71 -2.451 1.854 5.143 1.00 0.33 C ATOM 1045 CG PRO A 71 -3.807 1.407 5.530 1.00 0.35 C ATOM 1046 CD PRO A 71 -3.602 0.511 6.710 1.00 0.33 C ATOM 0 HA PRO A 71 -1.388 0.035 4.514 1.00 0.28 H new ATOM 0 HB2 PRO A 71 -2.130 2.712 5.733 1.00 0.33 H new ATOM 0 HB3 PRO A 71 -2.413 2.155 4.096 1.00 0.33 H new ATOM 0 HG2 PRO A 71 -4.443 2.254 5.785 1.00 0.35 H new ATOM 0 HG3 PRO A 71 -4.295 0.876 4.713 1.00 0.35 H new ATOM 0 HD2 PRO A 71 -3.583 1.071 7.645 1.00 0.33 H new ATOM 0 HD3 PRO A 71 -4.397 -0.230 6.798 1.00 0.33 H new ATOM 1054 N ARG A 72 -0.115 1.464 7.158 1.00 0.29 N ATOM 1055 CA ARG A 72 1.159 1.847 7.773 1.00 0.34 C ATOM 1056 C ARG A 72 2.196 0.716 7.662 1.00 0.32 C ATOM 1057 O ARG A 72 3.357 0.955 7.334 1.00 0.35 O ATOM 1058 CB ARG A 72 0.963 2.269 9.226 1.00 0.42 C ATOM 1059 CG ARG A 72 2.230 2.785 9.896 1.00 0.72 C ATOM 1060 CD ARG A 72 1.971 3.166 11.336 1.00 0.75 C ATOM 1061 NE ARG A 72 0.970 4.240 11.461 1.00 0.84 N ATOM 1062 CZ ARG A 72 -0.097 4.197 12.273 1.00 1.44 C ATOM 1063 NH1 ARG A 72 -0.350 3.111 12.997 1.00 2.34 N ATOM 1064 NH2 ARG A 72 -0.895 5.251 12.360 1.00 1.57 N ATOM 0 H ARG A 72 -0.918 1.543 7.782 1.00 0.29 H new ATOM 0 HA ARG A 72 1.545 2.706 7.224 1.00 0.34 H new ATOM 0 HB2 ARG A 72 0.199 3.046 9.269 1.00 0.42 H new ATOM 0 HB3 ARG A 72 0.585 1.419 9.793 1.00 0.42 H new ATOM 0 HG2 ARG A 72 3.005 2.019 9.853 1.00 0.72 H new ATOM 0 HG3 ARG A 72 2.607 3.650 9.350 1.00 0.72 H new ATOM 0 HD2 ARG A 72 1.629 2.289 11.885 1.00 0.75 H new ATOM 0 HD3 ARG A 72 2.905 3.488 11.798 1.00 0.75 H new ATOM 0 HE ARG A 72 1.097 5.075 10.890 1.00 0.84 H new ATOM 0 HH11 ARG A 72 0.269 2.303 12.937 1.00 2.34 H new ATOM 0 HH12 ARG A 72 -1.163 3.086 13.612 1.00 2.34 H new ATOM 0 HH21 ARG A 72 -0.696 6.088 11.812 1.00 1.57 H new ATOM 0 HH22 ARG A 72 -1.708 5.226 12.975 1.00 1.57 H new ATOM 1078 N GLU A 73 1.747 -0.514 7.909 1.00 0.30 N ATOM 1079 CA GLU A 73 2.599 -1.690 7.819 1.00 0.31 C ATOM 1080 C GLU A 73 3.038 -1.900 6.375 1.00 0.30 C ATOM 1081 O GLU A 73 4.205 -2.122 6.105 1.00 0.33 O ATOM 1082 CB GLU A 73 1.842 -2.924 8.314 1.00 0.36 C ATOM 1083 CG GLU A 73 2.647 -4.217 8.329 1.00 0.42 C ATOM 1084 CD GLU A 73 3.798 -4.180 9.300 1.00 1.08 C ATOM 1085 OE1 GLU A 73 3.603 -4.439 10.497 1.00 1.74 O ATOM 1086 OE2 GLU A 73 4.936 -3.872 8.877 1.00 1.68 O ATOM 0 H GLU A 73 0.784 -0.719 8.176 1.00 0.30 H new ATOM 0 HA GLU A 73 3.479 -1.539 8.444 1.00 0.31 H new ATOM 0 HB2 GLU A 73 1.481 -2.728 9.324 1.00 0.36 H new ATOM 0 HB3 GLU A 73 0.964 -3.069 7.684 1.00 0.36 H new ATOM 0 HG2 GLU A 73 1.988 -5.046 8.586 1.00 0.42 H new ATOM 0 HG3 GLU A 73 3.030 -4.412 7.327 1.00 0.42 H new ATOM 1093 N LEU A 74 2.090 -1.773 5.455 1.00 0.28 N ATOM 1094 CA LEU A 74 2.356 -1.965 4.030 1.00 0.31 C ATOM 1095 C LEU A 74 3.317 -0.861 3.537 1.00 0.31 C ATOM 1096 O LEU A 74 4.241 -1.127 2.774 1.00 0.34 O ATOM 1097 CB LEU A 74 0.985 -2.017 3.262 1.00 0.32 C ATOM 1098 CG LEU A 74 0.954 -2.306 1.730 1.00 0.35 C ATOM 1099 CD1 LEU A 74 1.268 -1.062 0.913 1.00 0.60 C ATOM 1100 CD2 LEU A 74 1.928 -3.424 1.367 1.00 0.50 C ATOM 0 H LEU A 74 1.122 -1.536 5.670 1.00 0.28 H new ATOM 0 HA LEU A 74 2.859 -2.912 3.836 1.00 0.31 H new ATOM 0 HB2 LEU A 74 0.372 -2.777 3.747 1.00 0.32 H new ATOM 0 HB3 LEU A 74 0.490 -1.059 3.420 1.00 0.32 H new ATOM 0 HG LEU A 74 -0.060 -2.624 1.487 1.00 0.35 H new ATOM 0 HD11 LEU A 74 1.236 -1.306 -0.149 1.00 0.60 H new ATOM 0 HD12 LEU A 74 0.531 -0.289 1.130 1.00 0.60 H new ATOM 0 HD13 LEU A 74 2.262 -0.698 1.172 1.00 0.60 H new ATOM 0 HD21 LEU A 74 1.888 -3.607 0.293 1.00 0.50 H new ATOM 0 HD22 LEU A 74 2.940 -3.131 1.648 1.00 0.50 H new ATOM 0 HD23 LEU A 74 1.653 -4.334 1.901 1.00 0.50 H new ATOM 1112 N LEU A 75 3.107 0.343 4.037 1.00 0.32 N ATOM 1113 CA LEU A 75 3.971 1.499 3.796 1.00 0.34 C ATOM 1114 C LEU A 75 5.404 1.183 4.213 1.00 0.33 C ATOM 1115 O LEU A 75 6.341 1.277 3.419 1.00 0.31 O ATOM 1116 CB LEU A 75 3.456 2.680 4.643 1.00 0.38 C ATOM 1117 CG LEU A 75 4.292 3.963 4.655 1.00 0.45 C ATOM 1118 CD1 LEU A 75 4.311 4.603 3.296 1.00 0.52 C ATOM 1119 CD2 LEU A 75 3.766 4.932 5.696 1.00 0.52 C ATOM 0 H LEU A 75 2.311 0.556 4.639 1.00 0.32 H new ATOM 0 HA LEU A 75 3.955 1.748 2.735 1.00 0.34 H new ATOM 0 HB2 LEU A 75 2.456 2.934 4.292 1.00 0.38 H new ATOM 0 HB3 LEU A 75 3.354 2.336 5.672 1.00 0.38 H new ATOM 0 HG LEU A 75 5.316 3.699 4.918 1.00 0.45 H new ATOM 0 HD11 LEU A 75 4.911 5.512 3.330 1.00 0.52 H new ATOM 0 HD12 LEU A 75 4.743 3.910 2.574 1.00 0.52 H new ATOM 0 HD13 LEU A 75 3.293 4.851 2.997 1.00 0.52 H new ATOM 0 HD21 LEU A 75 4.373 5.838 5.690 1.00 0.52 H new ATOM 0 HD22 LEU A 75 2.731 5.187 5.466 1.00 0.52 H new ATOM 0 HD23 LEU A 75 3.815 4.469 6.682 1.00 0.52 H new ATOM 1131 N ASP A 76 5.541 0.771 5.450 1.00 0.35 N ATOM 1132 CA ASP A 76 6.833 0.511 6.063 1.00 0.37 C ATOM 1133 C ASP A 76 7.512 -0.711 5.445 1.00 0.34 C ATOM 1134 O ASP A 76 8.742 -0.769 5.347 1.00 0.35 O ATOM 1135 CB ASP A 76 6.660 0.328 7.563 1.00 0.45 C ATOM 1136 CG ASP A 76 7.966 0.288 8.294 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.524 1.363 8.605 1.00 0.69 O ATOM 1138 OD2 ASP A 76 8.478 -0.833 8.535 1.00 0.59 O ATOM 0 H ASP A 76 4.751 0.603 6.073 1.00 0.35 H new ATOM 0 HA ASP A 76 7.479 1.369 5.878 1.00 0.37 H new ATOM 0 HB2 ASP A 76 6.053 1.143 7.957 1.00 0.45 H new ATOM 0 HB3 ASP A 76 6.114 -0.596 7.752 1.00 0.45 H new ATOM 1143 N LEU A 77 6.702 -1.667 5.008 1.00 0.34 N ATOM 1144 CA LEU A 77 7.178 -2.871 4.331 1.00 0.35 C ATOM 1145 C LEU A 77 7.867 -2.438 3.050 1.00 0.34 C ATOM 1146 O LEU A 77 8.995 -2.860 2.758 1.00 0.43 O ATOM 1147 CB LEU A 77 5.960 -3.813 4.030 1.00 0.38 C ATOM 1148 CG LEU A 77 6.206 -5.243 3.434 1.00 0.43 C ATOM 1149 CD1 LEU A 77 6.733 -5.227 2.004 1.00 1.15 C ATOM 1150 CD2 LEU A 77 7.118 -6.059 4.333 1.00 1.54 C ATOM 0 H LEU A 77 5.688 -1.630 5.113 1.00 0.34 H new ATOM 0 HA LEU A 77 7.882 -3.424 4.953 1.00 0.35 H new ATOM 0 HB2 LEU A 77 5.410 -3.940 4.962 1.00 0.38 H new ATOM 0 HB3 LEU A 77 5.302 -3.283 3.341 1.00 0.38 H new ATOM 0 HG LEU A 77 5.227 -5.720 3.392 1.00 0.43 H new ATOM 0 HD11 LEU A 77 6.879 -6.250 1.659 1.00 1.15 H new ATOM 0 HD12 LEU A 77 6.014 -4.725 1.357 1.00 1.15 H new ATOM 0 HD13 LEU A 77 7.683 -4.694 1.972 1.00 1.15 H new ATOM 0 HD21 LEU A 77 7.272 -7.046 3.896 1.00 1.54 H new ATOM 0 HD22 LEU A 77 8.078 -5.553 4.433 1.00 1.54 H new ATOM 0 HD23 LEU A 77 6.660 -6.165 5.316 1.00 1.54 H new ATOM 1162 N ILE A 78 7.217 -1.547 2.324 1.00 0.27 N ATOM 1163 CA ILE A 78 7.749 -1.062 1.085 1.00 0.26 C ATOM 1164 C ILE A 78 8.952 -0.200 1.356 1.00 0.28 C ATOM 1165 O ILE A 78 9.963 -0.374 0.731 1.00 0.33 O ATOM 1166 CB ILE A 78 6.683 -0.313 0.230 1.00 0.21 C ATOM 1167 CG1 ILE A 78 5.563 -1.292 -0.118 1.00 0.25 C ATOM 1168 CG2 ILE A 78 7.299 0.273 -1.049 1.00 0.25 C ATOM 1169 CD1 ILE A 78 4.495 -0.743 -1.030 1.00 0.29 C ATOM 0 H ILE A 78 6.314 -1.148 2.582 1.00 0.27 H new ATOM 0 HA ILE A 78 8.056 -1.921 0.489 1.00 0.26 H new ATOM 0 HB ILE A 78 6.286 0.522 0.808 1.00 0.21 H new ATOM 0 HG12 ILE A 78 6.003 -2.172 -0.588 1.00 0.25 H new ATOM 0 HG13 ILE A 78 5.093 -1.626 0.807 1.00 0.25 H new ATOM 0 HG21 ILE A 78 6.528 0.788 -1.621 1.00 0.25 H new ATOM 0 HG22 ILE A 78 8.086 0.979 -0.783 1.00 0.25 H new ATOM 0 HG23 ILE A 78 7.721 -0.532 -1.651 1.00 0.25 H new ATOM 0 HD11 ILE A 78 3.746 -1.512 -1.218 1.00 0.29 H new ATOM 0 HD12 ILE A 78 4.021 0.118 -0.558 1.00 0.29 H new ATOM 0 HD13 ILE A 78 4.945 -0.437 -1.974 1.00 0.29 H new ATOM 1181 N ASN A 79 8.860 0.660 2.356 1.00 0.28 N ATOM 1182 CA ASN A 79 9.970 1.555 2.723 1.00 0.32 C ATOM 1183 C ASN A 79 11.229 0.789 3.111 1.00 0.34 C ATOM 1184 O ASN A 79 12.352 1.195 2.762 1.00 0.37 O ATOM 1185 CB ASN A 79 9.580 2.519 3.842 1.00 0.37 C ATOM 1186 CG ASN A 79 8.657 3.623 3.383 1.00 0.43 C ATOM 1187 OD1 ASN A 79 8.667 4.002 2.226 1.00 1.24 O ATOM 1188 ND2 ASN A 79 7.897 4.177 4.289 1.00 0.69 N ATOM 0 H ASN A 79 8.028 0.766 2.937 1.00 0.28 H new ATOM 0 HA ASN A 79 10.192 2.136 1.828 1.00 0.32 H new ATOM 0 HB2 ASN A 79 9.096 1.959 4.642 1.00 0.37 H new ATOM 0 HB3 ASN A 79 10.483 2.961 4.263 1.00 0.37 H new ATOM 0 HD21 ASN A 79 7.286 4.954 4.037 1.00 0.69 H new ATOM 0 HD22 ASN A 79 7.915 3.833 5.249 1.00 0.69 H new ATOM 1195 N GLY A 80 11.051 -0.322 3.799 1.00 0.37 N ATOM 1196 CA GLY A 80 12.172 -1.170 4.143 1.00 0.43 C ATOM 1197 C GLY A 80 12.791 -1.766 2.896 1.00 0.42 C ATOM 1198 O GLY A 80 14.018 -1.848 2.763 1.00 0.50 O ATOM 0 H GLY A 80 10.145 -0.656 4.129 1.00 0.37 H new ATOM 0 HA2 GLY A 80 12.920 -0.592 4.686 1.00 0.43 H new ATOM 0 HA3 GLY A 80 11.841 -1.968 4.808 1.00 0.43 H new ATOM 1202 N ALA A 81 11.940 -2.116 1.954 1.00 0.38 N ATOM 1203 CA ALA A 81 12.370 -2.685 0.695 1.00 0.40 C ATOM 1204 C ALA A 81 13.011 -1.612 -0.182 1.00 0.37 C ATOM 1205 O ALA A 81 13.946 -1.884 -0.916 1.00 0.44 O ATOM 1206 CB ALA A 81 11.197 -3.343 -0.028 1.00 0.42 C ATOM 0 H ALA A 81 10.929 -2.013 2.041 1.00 0.38 H new ATOM 0 HA ALA A 81 13.116 -3.453 0.900 1.00 0.40 H new ATOM 0 HB1 ALA A 81 11.542 -3.765 -0.972 1.00 0.42 H new ATOM 0 HB2 ALA A 81 10.785 -4.137 0.595 1.00 0.42 H new ATOM 0 HB3 ALA A 81 10.426 -2.598 -0.223 1.00 0.42 H new ATOM 1212 N LEU A 82 12.519 -0.391 -0.069 1.00 0.35 N ATOM 1213 CA LEU A 82 13.013 0.745 -0.843 1.00 0.39 C ATOM 1214 C LEU A 82 14.456 1.041 -0.522 1.00 0.53 C ATOM 1215 O LEU A 82 15.239 1.352 -1.397 1.00 0.67 O ATOM 1216 CB LEU A 82 12.157 1.998 -0.607 1.00 0.39 C ATOM 1217 CG LEU A 82 10.678 1.870 -0.950 1.00 0.37 C ATOM 1218 CD1 LEU A 82 9.950 3.187 -0.805 1.00 0.49 C ATOM 1219 CD2 LEU A 82 10.491 1.291 -2.324 1.00 0.49 C ATOM 0 H LEU A 82 11.758 -0.153 0.567 1.00 0.35 H new ATOM 0 HA LEU A 82 12.941 0.470 -1.895 1.00 0.39 H new ATOM 0 HB2 LEU A 82 12.243 2.281 0.442 1.00 0.39 H new ATOM 0 HB3 LEU A 82 12.576 2.816 -1.193 1.00 0.39 H new ATOM 0 HG LEU A 82 10.236 1.180 -0.231 1.00 0.37 H new ATOM 0 HD11 LEU A 82 8.899 3.051 -1.059 1.00 0.49 H new ATOM 0 HD12 LEU A 82 10.033 3.537 0.224 1.00 0.49 H new ATOM 0 HD13 LEU A 82 10.393 3.923 -1.475 1.00 0.49 H new ATOM 0 HD21 LEU A 82 9.426 1.211 -2.543 1.00 0.49 H new ATOM 0 HD22 LEU A 82 10.965 1.940 -3.060 1.00 0.49 H new ATOM 0 HD23 LEU A 82 10.946 0.301 -2.367 1.00 0.49 H new ATOM 1231 N ALA A 83 14.809 0.928 0.730 1.00 0.63 N ATOM 1232 CA ALA A 83 16.180 1.150 1.155 1.00 0.81 C ATOM 1233 C ALA A 83 17.124 0.092 0.559 1.00 0.84 C ATOM 1234 O ALA A 83 18.298 0.364 0.291 1.00 1.00 O ATOM 1235 CB ALA A 83 16.267 1.149 2.675 1.00 0.99 C ATOM 0 H ALA A 83 14.167 0.682 1.484 1.00 0.63 H new ATOM 0 HA ALA A 83 16.497 2.126 0.786 1.00 0.81 H new ATOM 0 HB1 ALA A 83 17.300 1.316 2.980 1.00 0.99 H new ATOM 0 HB2 ALA A 83 15.637 1.943 3.076 1.00 0.99 H new ATOM 0 HB3 ALA A 83 15.927 0.187 3.058 1.00 0.99 H new ATOM 1241 N GLU A 84 16.586 -1.079 0.299 1.00 0.79 N ATOM 1242 CA GLU A 84 17.374 -2.208 -0.143 1.00 0.94 C ATOM 1243 C GLU A 84 17.350 -2.405 -1.679 1.00 0.95 C ATOM 1244 O GLU A 84 18.404 -2.526 -2.311 1.00 1.34 O ATOM 1245 CB GLU A 84 16.882 -3.464 0.586 1.00 1.11 C ATOM 1246 CG GLU A 84 17.646 -4.737 0.283 1.00 1.64 C ATOM 1247 CD GLU A 84 17.173 -5.886 1.134 1.00 1.84 C ATOM 1248 OE1 GLU A 84 16.228 -6.587 0.729 1.00 2.18 O ATOM 1249 OE2 GLU A 84 17.758 -6.137 2.200 1.00 2.22 O ATOM 0 H GLU A 84 15.589 -1.275 0.388 1.00 0.79 H new ATOM 0 HA GLU A 84 18.417 -2.012 0.106 1.00 0.94 H new ATOM 0 HB2 GLU A 84 16.927 -3.281 1.660 1.00 1.11 H new ATOM 0 HB3 GLU A 84 15.833 -3.622 0.334 1.00 1.11 H new ATOM 0 HG2 GLU A 84 17.527 -4.991 -0.770 1.00 1.64 H new ATOM 0 HG3 GLU A 84 18.710 -4.572 0.453 1.00 1.64 H new