USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 599 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 56 MET CE :methyl 142:sc= -5.11! (180deg=-5.95!) USER MOD Set 1.2: A 75 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 64 LYS NZ :NH3+ 158:sc= 2.59 (180deg=0.95) USER MOD Set 2.2: A 65 ASN : amide:sc= -0.196! C(o=2.4!,f=-14!) USER MOD Set 3.1: A 40 HIS : no HE2:sc= 0.923 K(o=0.92,f=-3.7!) USER MOD Set 3.2: A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.799 USER MOD Single : A 22 GLN : amide:sc= 0.256 K(o=0.26,f=-1.5) USER MOD Single : A 23 GLN : amide:sc= 2.05 K(o=2.1,f=-4.2!) USER MOD Single : A 30 GLN : amide:sc= 0.0142 K(o=0.014,f=-2.3) USER MOD Single : A 33 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.031) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00338 USER MOD Single : A 37 GLN : amide:sc= 1.25 K(o=1.3,f=-7.6!) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.277 F(o=-0.98,f=-0.28) USER MOD Single : A 44 ASN : amide:sc= 0.546 K(o=0.55,f=-11!) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.102 F(o=-0.88,f=-0.1) USER MOD Single : A 60 HIS : no HD1:sc=-0.00222 X(o=-0.0022,f=0) USER MOD Single : A 67 TYR OH : rot -26:sc= 0.0467 USER MOD Single : A 70 THR OG1 : rot 93:sc= 0.59 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.356 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= -0.196 K(o=-0.2,f=-0.97) USER MOD Single : A 87 MET CE :methyl -154:sc= -0.0236 (180deg=-1.11) USER MOD ----------------------------------------------------------------- ATOM 68 N ALA A 18 8.764 1.270 -3.033 1.00 3.01 N ATOM 69 CA ALA A 18 8.874 0.044 -2.276 1.00 25.40 C ATOM 70 C ALA A 18 8.043 -1.071 -2.976 1.00 44.05 C ATOM 71 O ALA A 18 8.196 -2.241 -2.704 1.00 3.40 O ATOM 72 CB ALA A 18 8.401 0.262 -0.867 1.00 31.54 C ATOM 0 HA ALA A 18 9.917 -0.269 -2.236 1.00 25.40 H new ATOM 0 HB1 ALA A 18 8.488 -0.668 -0.306 1.00 31.54 H new ATOM 0 HB2 ALA A 18 9.012 1.030 -0.393 1.00 31.54 H new ATOM 0 HB3 ALA A 18 7.359 0.582 -0.878 1.00 31.54 H new ATOM 78 N ALA A 19 7.135 -0.656 -3.874 1.00 64.23 N ATOM 79 CA ALA A 19 6.382 -1.577 -4.715 1.00 20.01 C ATOM 80 C ALA A 19 7.175 -1.903 -5.989 1.00 15.13 C ATOM 81 O ALA A 19 7.034 -2.974 -6.544 1.00 3.30 O ATOM 82 CB ALA A 19 5.016 -0.999 -5.059 1.00 73.43 C ATOM 0 H ALA A 19 6.909 0.326 -4.031 1.00 64.23 H new ATOM 0 HA ALA A 19 6.224 -2.503 -4.161 1.00 20.01 H new ATOM 0 HB1 ALA A 19 4.471 -1.703 -5.688 1.00 73.43 H new ATOM 0 HB2 ALA A 19 4.455 -0.821 -4.142 1.00 73.43 H new ATOM 0 HB3 ALA A 19 5.143 -0.058 -5.594 1.00 73.43 H new ATOM 88 N ASP A 20 8.047 -0.971 -6.425 1.00 60.03 N ATOM 89 CA ASP A 20 8.901 -1.185 -7.630 1.00 14.42 C ATOM 90 C ASP A 20 9.920 -2.285 -7.282 1.00 11.24 C ATOM 91 O ASP A 20 10.365 -3.062 -8.111 1.00 53.51 O ATOM 92 CB ASP A 20 9.606 0.136 -8.063 1.00 72.33 C ATOM 93 CG ASP A 20 10.253 0.070 -9.460 1.00 13.53 C ATOM 94 OD1 ASP A 20 9.787 -0.718 -10.305 1.00 45.10 O ATOM 95 OD2 ASP A 20 11.201 0.873 -9.747 1.00 33.23 O ATOM 0 H ASP A 20 8.184 -0.068 -5.971 1.00 60.03 H new ATOM 0 HA ASP A 20 8.292 -1.495 -8.479 1.00 14.42 H new ATOM 0 HB2 ASP A 20 8.877 0.947 -8.049 1.00 72.33 H new ATOM 0 HB3 ASP A 20 10.373 0.384 -7.330 1.00 72.33 H new ATOM 100 N TYR A 21 10.202 -2.355 -5.983 1.00 23.23 N ATOM 101 CA TYR A 21 10.977 -3.415 -5.308 1.00 44.51 C ATOM 102 C TYR A 21 10.437 -4.809 -5.648 1.00 41.30 C ATOM 103 O TYR A 21 11.197 -5.784 -5.668 1.00 1.45 O ATOM 104 CB TYR A 21 10.853 -3.137 -3.812 1.00 0.00 C ATOM 105 CG TYR A 21 11.277 -4.223 -2.886 1.00 61.35 C ATOM 106 CD1 TYR A 21 12.599 -4.411 -2.572 1.00 23.55 C ATOM 107 CD2 TYR A 21 10.328 -5.048 -2.291 1.00 42.31 C ATOM 108 CE1 TYR A 21 12.972 -5.383 -1.693 1.00 73.33 C ATOM 109 CE2 TYR A 21 10.693 -6.030 -1.415 1.00 22.25 C ATOM 110 CZ TYR A 21 12.012 -6.195 -1.115 1.00 41.44 C ATOM 111 OH TYR A 21 12.385 -7.157 -0.220 1.00 34.51 O ATOM 0 H TYR A 21 9.883 -1.639 -5.330 1.00 23.23 H new ATOM 0 HA TYR A 21 12.017 -3.405 -5.635 1.00 44.51 H new ATOM 0 HB2 TYR A 21 11.440 -2.248 -3.583 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.812 -2.896 -3.597 1.00 0.00 H new ATOM 0 HD1 TYR A 21 13.351 -3.783 -3.026 1.00 23.55 H new ATOM 0 HD2 TYR A 21 9.283 -4.909 -2.526 1.00 42.31 H new ATOM 0 HE1 TYR A 21 14.015 -5.519 -1.448 1.00 73.33 H new ATOM 0 HE2 TYR A 21 9.946 -6.668 -0.966 1.00 22.25 H new ATOM 0 HH TYR A 21 11.591 -7.638 0.093 1.00 34.51 H new ATOM 121 N GLN A 22 9.147 -4.904 -5.932 1.00 33.41 N ATOM 122 CA GLN A 22 8.562 -6.170 -6.316 1.00 64.50 C ATOM 123 C GLN A 22 9.131 -6.600 -7.662 1.00 32.12 C ATOM 124 O GLN A 22 9.509 -7.759 -7.841 1.00 70.23 O ATOM 125 CB GLN A 22 7.015 -6.101 -6.304 1.00 31.44 C ATOM 126 CG GLN A 22 6.310 -7.396 -6.705 1.00 13.24 C ATOM 127 CD GLN A 22 6.212 -7.598 -8.218 1.00 20.10 C ATOM 128 OE1 GLN A 22 6.066 -6.640 -8.974 1.00 51.23 O ATOM 129 NE2 GLN A 22 6.418 -8.798 -8.668 1.00 43.14 N ATOM 0 H GLN A 22 8.492 -4.122 -5.903 1.00 33.41 H new ATOM 0 HA GLN A 22 8.827 -6.934 -5.585 1.00 64.50 H new ATOM 0 HB2 GLN A 22 6.686 -5.820 -5.303 1.00 31.44 H new ATOM 0 HB3 GLN A 22 6.696 -5.307 -6.979 1.00 31.44 H new ATOM 0 HG2 GLN A 22 6.843 -8.240 -6.268 1.00 13.24 H new ATOM 0 HG3 GLN A 22 5.306 -7.399 -6.281 1.00 13.24 H new ATOM 0 HE21 GLN A 22 6.536 -9.574 -8.016 1.00 43.14 H new ATOM 0 HE22 GLN A 22 6.462 -8.965 -9.673 1.00 43.14 H new ATOM 138 N GLN A 23 9.257 -5.650 -8.587 1.00 60.42 N ATOM 139 CA GLN A 23 9.847 -5.959 -9.866 1.00 5.13 C ATOM 140 C GLN A 23 11.287 -6.340 -9.669 1.00 25.43 C ATOM 141 O GLN A 23 11.743 -7.263 -10.268 1.00 53.55 O ATOM 142 CB GLN A 23 9.788 -4.813 -10.870 1.00 42.11 C ATOM 143 CG GLN A 23 8.417 -4.357 -11.290 1.00 11.45 C ATOM 144 CD GLN A 23 8.502 -3.454 -12.508 1.00 21.30 C ATOM 145 OE1 GLN A 23 8.436 -3.933 -13.657 1.00 71.51 O ATOM 146 NE2 GLN A 23 8.749 -2.192 -12.305 1.00 13.22 N ATOM 0 H GLN A 23 8.962 -4.681 -8.469 1.00 60.42 H new ATOM 0 HA GLN A 23 9.260 -6.779 -10.280 1.00 5.13 H new ATOM 0 HB2 GLN A 23 10.316 -3.959 -10.445 1.00 42.11 H new ATOM 0 HB3 GLN A 23 10.336 -5.114 -11.763 1.00 42.11 H new ATOM 0 HG2 GLN A 23 7.794 -5.222 -11.515 1.00 11.45 H new ATOM 0 HG3 GLN A 23 7.938 -3.824 -10.469 1.00 11.45 H new ATOM 0 HE21 GLN A 23 8.797 -1.828 -11.353 1.00 13.22 H new ATOM 0 HE22 GLN A 23 8.894 -1.567 -13.098 1.00 13.22 H new ATOM 155 N LEU A 24 11.980 -5.615 -8.791 1.00 63.11 N ATOM 156 CA LEU A 24 13.402 -5.860 -8.471 1.00 15.20 C ATOM 157 C LEU A 24 13.577 -7.349 -8.128 1.00 32.22 C ATOM 158 O LEU A 24 14.433 -8.034 -8.695 1.00 71.20 O ATOM 159 CB LEU A 24 13.792 -4.980 -7.249 1.00 3.34 C ATOM 160 CG LEU A 24 15.285 -4.665 -6.973 1.00 4.32 C ATOM 161 CD1 LEU A 24 15.395 -3.811 -5.723 1.00 32.23 C ATOM 162 CD2 LEU A 24 16.143 -5.914 -6.822 1.00 31.53 C ATOM 0 H LEU A 24 11.576 -4.834 -8.274 1.00 63.11 H new ATOM 0 HA LEU A 24 14.041 -5.607 -9.317 1.00 15.20 H new ATOM 0 HB2 LEU A 24 13.273 -4.028 -7.355 1.00 3.34 H new ATOM 0 HB3 LEU A 24 13.391 -5.464 -6.358 1.00 3.34 H new ATOM 0 HG LEU A 24 15.666 -4.128 -7.841 1.00 4.32 H new ATOM 0 HD11 LEU A 24 16.444 -3.588 -5.526 1.00 32.23 H new ATOM 0 HD12 LEU A 24 14.847 -2.880 -5.869 1.00 32.23 H new ATOM 0 HD13 LEU A 24 14.974 -4.351 -4.875 1.00 32.23 H new ATOM 0 HD21 LEU A 24 17.176 -5.625 -6.631 1.00 31.53 H new ATOM 0 HD22 LEU A 24 15.773 -6.511 -5.988 1.00 31.53 H new ATOM 0 HD23 LEU A 24 16.095 -6.502 -7.739 1.00 31.53 H new ATOM 174 N ARG A 25 12.705 -7.820 -7.253 1.00 35.33 N ATOM 175 CA ARG A 25 12.673 -9.157 -6.763 1.00 44.44 C ATOM 176 C ARG A 25 12.545 -10.173 -7.919 1.00 64.22 C ATOM 177 O ARG A 25 13.460 -10.966 -8.167 1.00 25.32 O ATOM 178 CB ARG A 25 11.485 -9.242 -5.814 1.00 30.03 C ATOM 179 CG ARG A 25 11.441 -10.468 -4.989 1.00 25.54 C ATOM 180 CD ARG A 25 10.251 -10.451 -4.054 1.00 31.12 C ATOM 181 NE ARG A 25 10.240 -11.600 -3.149 1.00 15.02 N ATOM 182 CZ ARG A 25 9.667 -12.773 -3.409 1.00 25.41 C ATOM 183 NH1 ARG A 25 9.212 -13.059 -4.637 1.00 62.04 N ATOM 184 NH2 ARG A 25 9.614 -13.684 -2.454 1.00 22.12 N ATOM 0 H ARG A 25 11.969 -7.237 -6.854 1.00 35.33 H new ATOM 0 HA ARG A 25 13.600 -9.405 -6.245 1.00 44.44 H new ATOM 0 HB2 ARG A 25 11.503 -8.376 -5.153 1.00 30.03 H new ATOM 0 HB3 ARG A 25 10.566 -9.179 -6.397 1.00 30.03 H new ATOM 0 HG2 ARG A 25 11.387 -11.344 -5.636 1.00 25.54 H new ATOM 0 HG3 ARG A 25 12.361 -10.555 -4.411 1.00 25.54 H new ATOM 0 HD2 ARG A 25 10.264 -9.531 -3.470 1.00 31.12 H new ATOM 0 HD3 ARG A 25 9.332 -10.444 -4.640 1.00 31.12 H new ATOM 0 HE ARG A 25 10.708 -11.494 -2.249 1.00 15.02 H new ATOM 0 HH11 ARG A 25 9.303 -12.374 -5.387 1.00 62.04 H new ATOM 0 HH12 ARG A 25 8.775 -13.962 -4.822 1.00 62.04 H new ATOM 0 HH21 ARG A 25 10.008 -13.483 -1.535 1.00 22.12 H new ATOM 0 HH22 ARG A 25 9.179 -14.588 -2.635 1.00 22.12 H new ATOM 198 N GLU A 26 11.458 -10.095 -8.657 1.00 24.43 N ATOM 199 CA GLU A 26 11.212 -11.006 -9.763 1.00 75.30 C ATOM 200 C GLU A 26 12.181 -10.809 -10.952 1.00 24.45 C ATOM 201 O GLU A 26 12.404 -11.717 -11.754 1.00 33.24 O ATOM 202 CB GLU A 26 9.759 -10.961 -10.201 1.00 75.02 C ATOM 203 CG GLU A 26 8.839 -11.868 -9.372 1.00 64.43 C ATOM 204 CD GLU A 26 8.734 -11.529 -7.883 1.00 4.14 C ATOM 205 OE1 GLU A 26 9.531 -12.064 -7.085 1.00 22.34 O ATOM 206 OE2 GLU A 26 7.828 -10.768 -7.500 1.00 12.12 O ATOM 0 H GLU A 26 10.722 -9.404 -8.511 1.00 24.43 H new ATOM 0 HA GLU A 26 11.418 -12.007 -9.384 1.00 75.30 H new ATOM 0 HB2 GLU A 26 9.400 -9.934 -10.134 1.00 75.02 H new ATOM 0 HB3 GLU A 26 9.695 -11.253 -11.249 1.00 75.02 H new ATOM 0 HG2 GLU A 26 7.839 -11.832 -9.805 1.00 64.43 H new ATOM 0 HG3 GLU A 26 9.191 -12.895 -9.467 1.00 64.43 H new ATOM 213 N ARG A 27 12.769 -9.636 -11.053 1.00 52.54 N ATOM 214 CA ARG A 27 13.740 -9.344 -12.100 1.00 30.40 C ATOM 215 C ARG A 27 15.094 -9.940 -11.830 1.00 13.13 C ATOM 216 O ARG A 27 15.951 -9.968 -12.710 1.00 75.01 O ATOM 217 CB ARG A 27 13.801 -7.889 -12.489 1.00 1.41 C ATOM 218 CG ARG A 27 12.488 -7.448 -13.096 1.00 13.40 C ATOM 219 CD ARG A 27 12.577 -6.111 -13.744 1.00 45.52 C ATOM 220 NE ARG A 27 11.255 -5.649 -14.208 1.00 55.23 N ATOM 221 CZ ARG A 27 10.670 -5.982 -15.377 1.00 64.52 C ATOM 222 NH1 ARG A 27 11.241 -6.888 -16.196 1.00 24.10 N ATOM 223 NH2 ARG A 27 9.484 -5.452 -15.691 1.00 62.00 N ATOM 0 H ARG A 27 12.592 -8.858 -10.418 1.00 52.54 H new ATOM 0 HA ARG A 27 13.360 -9.854 -12.985 1.00 30.40 H new ATOM 0 HB2 ARG A 27 14.026 -7.281 -11.613 1.00 1.41 H new ATOM 0 HB3 ARG A 27 14.610 -7.731 -13.202 1.00 1.41 H new ATOM 0 HG2 ARG A 27 12.167 -8.184 -13.833 1.00 13.40 H new ATOM 0 HG3 ARG A 27 11.724 -7.421 -12.319 1.00 13.40 H new ATOM 0 HD2 ARG A 27 12.989 -5.390 -13.038 1.00 45.52 H new ATOM 0 HD3 ARG A 27 13.264 -6.159 -14.589 1.00 45.52 H new ATOM 0 HE ARG A 27 10.738 -5.023 -13.591 1.00 55.23 H new ATOM 0 HH11 ARG A 27 12.123 -7.328 -15.934 1.00 24.10 H new ATOM 0 HH12 ARG A 27 10.791 -7.133 -17.078 1.00 24.10 H new ATOM 0 HH21 ARG A 27 9.030 -4.802 -15.049 1.00 62.00 H new ATOM 0 HH22 ARG A 27 9.033 -5.697 -16.572 1.00 62.00 H new ATOM 237 N LEU A 28 15.336 -10.305 -10.595 1.00 61.12 N ATOM 238 CA LEU A 28 16.504 -11.103 -10.278 1.00 41.15 C ATOM 239 C LEU A 28 16.304 -12.472 -10.954 1.00 14.21 C ATOM 240 O LEU A 28 17.177 -12.982 -11.650 1.00 24.31 O ATOM 241 CB LEU A 28 16.626 -11.294 -8.749 1.00 62.11 C ATOM 242 CG LEU A 28 16.871 -10.033 -7.899 1.00 42.31 C ATOM 243 CD1 LEU A 28 16.643 -10.337 -6.437 1.00 53.24 C ATOM 244 CD2 LEU A 28 18.289 -9.526 -8.079 1.00 12.14 C ATOM 0 H LEU A 28 14.748 -10.067 -9.796 1.00 61.12 H new ATOM 0 HA LEU A 28 17.412 -10.613 -10.629 1.00 41.15 H new ATOM 0 HB2 LEU A 28 15.711 -11.768 -8.394 1.00 62.11 H new ATOM 0 HB3 LEU A 28 17.441 -11.992 -8.560 1.00 62.11 H new ATOM 0 HG LEU A 28 16.172 -9.266 -8.232 1.00 42.31 H new ATOM 0 HD11 LEU A 28 16.819 -9.438 -5.847 1.00 53.24 H new ATOM 0 HD12 LEU A 28 15.616 -10.672 -6.291 1.00 53.24 H new ATOM 0 HD13 LEU A 28 17.329 -11.121 -6.117 1.00 53.24 H new ATOM 0 HD21 LEU A 28 18.437 -8.635 -7.469 1.00 12.14 H new ATOM 0 HD22 LEU A 28 18.993 -10.298 -7.771 1.00 12.14 H new ATOM 0 HD23 LEU A 28 18.457 -9.280 -9.127 1.00 12.14 H new ATOM 256 N ILE A 29 15.084 -12.982 -10.814 1.00 64.22 N ATOM 257 CA ILE A 29 14.652 -14.310 -11.304 1.00 73.01 C ATOM 258 C ILE A 29 14.875 -14.522 -12.771 1.00 41.41 C ATOM 259 O ILE A 29 15.320 -15.584 -13.167 1.00 24.55 O ATOM 260 CB ILE A 29 13.155 -14.602 -10.916 1.00 13.14 C ATOM 261 CG1 ILE A 29 13.093 -15.282 -9.579 1.00 74.10 C ATOM 262 CG2 ILE A 29 12.370 -15.395 -11.966 1.00 42.11 C ATOM 263 CD1 ILE A 29 13.805 -14.537 -8.511 1.00 51.35 C ATOM 0 H ILE A 29 14.336 -12.474 -10.342 1.00 64.22 H new ATOM 0 HA ILE A 29 15.296 -15.029 -10.798 1.00 73.01 H new ATOM 0 HB ILE A 29 12.663 -13.631 -10.865 1.00 13.14 H new ATOM 0 HG12 ILE A 29 12.049 -15.409 -9.291 1.00 74.10 H new ATOM 0 HG13 ILE A 29 13.523 -16.280 -9.666 1.00 74.10 H new ATOM 0 HG21 ILE A 29 11.349 -15.551 -11.616 1.00 42.11 H new ATOM 0 HG22 ILE A 29 12.352 -14.839 -12.903 1.00 42.11 H new ATOM 0 HG23 ILE A 29 12.850 -16.361 -12.126 1.00 42.11 H new ATOM 0 HD11 ILE A 29 13.722 -15.082 -7.570 1.00 51.35 H new ATOM 0 HD12 ILE A 29 14.856 -14.433 -8.779 1.00 51.35 H new ATOM 0 HD13 ILE A 29 13.360 -13.548 -8.398 1.00 51.35 H new ATOM 275 N GLN A 30 14.587 -13.523 -13.562 1.00 34.05 N ATOM 276 CA GLN A 30 14.725 -13.639 -15.001 1.00 10.32 C ATOM 277 C GLN A 30 16.168 -13.958 -15.424 1.00 13.33 C ATOM 278 O GLN A 30 16.384 -14.681 -16.380 1.00 24.34 O ATOM 279 CB GLN A 30 14.207 -12.389 -15.702 1.00 4.23 C ATOM 280 CG GLN A 30 14.857 -11.117 -15.215 1.00 44.14 C ATOM 281 CD GLN A 30 14.482 -9.884 -16.031 1.00 14.44 C ATOM 282 OE1 GLN A 30 13.507 -9.170 -15.739 1.00 53.44 O ATOM 283 NE2 GLN A 30 15.257 -9.614 -17.050 1.00 52.43 N ATOM 0 H GLN A 30 14.254 -12.615 -13.239 1.00 34.05 H new ATOM 0 HA GLN A 30 14.111 -14.483 -15.314 1.00 10.32 H new ATOM 0 HB2 GLN A 30 14.375 -12.487 -16.775 1.00 4.23 H new ATOM 0 HB3 GLN A 30 13.130 -12.318 -15.553 1.00 4.23 H new ATOM 0 HG2 GLN A 30 14.577 -10.952 -14.175 1.00 44.14 H new ATOM 0 HG3 GLN A 30 15.940 -11.241 -15.238 1.00 44.14 H new ATOM 0 HE21 GLN A 30 16.049 -10.220 -17.263 1.00 52.43 H new ATOM 0 HE22 GLN A 30 15.069 -8.797 -17.631 1.00 52.43 H new ATOM 292 N GLU A 31 17.145 -13.417 -14.705 1.00 44.15 N ATOM 293 CA GLU A 31 18.535 -13.694 -15.026 1.00 60.40 C ATOM 294 C GLU A 31 18.999 -14.956 -14.337 1.00 34.13 C ATOM 295 O GLU A 31 19.865 -15.665 -14.829 1.00 62.13 O ATOM 296 CB GLU A 31 19.444 -12.537 -14.651 1.00 72.42 C ATOM 297 CG GLU A 31 18.985 -11.220 -15.206 1.00 61.43 C ATOM 298 CD GLU A 31 20.086 -10.209 -15.264 1.00 33.22 C ATOM 299 OE1 GLU A 31 20.876 -10.251 -16.213 1.00 44.45 O ATOM 300 OE2 GLU A 31 20.192 -9.367 -14.357 1.00 10.31 O ATOM 0 H GLU A 31 17.002 -12.795 -13.910 1.00 44.15 H new ATOM 0 HA GLU A 31 18.594 -13.831 -16.106 1.00 60.40 H new ATOM 0 HB2 GLU A 31 19.501 -12.466 -13.565 1.00 72.42 H new ATOM 0 HB3 GLU A 31 20.452 -12.744 -15.011 1.00 72.42 H new ATOM 0 HG2 GLU A 31 18.582 -11.372 -16.207 1.00 61.43 H new ATOM 0 HG3 GLU A 31 18.173 -10.833 -14.591 1.00 61.43 H new ATOM 307 N LEU A 32 18.407 -15.225 -13.192 1.00 74.02 N ATOM 308 CA LEU A 32 18.777 -16.356 -12.390 1.00 3.45 C ATOM 309 C LEU A 32 18.167 -17.656 -12.913 1.00 22.12 C ATOM 310 O LEU A 32 18.618 -18.741 -12.543 1.00 72.23 O ATOM 311 CB LEU A 32 18.376 -16.113 -10.919 1.00 3.52 C ATOM 312 CG LEU A 32 19.030 -14.905 -10.248 1.00 11.21 C ATOM 313 CD1 LEU A 32 18.637 -14.784 -8.792 1.00 61.22 C ATOM 314 CD2 LEU A 32 20.531 -14.917 -10.411 1.00 2.40 C ATOM 0 H LEU A 32 17.655 -14.660 -12.797 1.00 74.02 H new ATOM 0 HA LEU A 32 19.860 -16.468 -12.451 1.00 3.45 H new ATOM 0 HB2 LEU A 32 17.294 -15.991 -10.871 1.00 3.52 H new ATOM 0 HB3 LEU A 32 18.622 -17.004 -10.342 1.00 3.52 H new ATOM 0 HG LEU A 32 18.652 -14.020 -10.760 1.00 11.21 H new ATOM 0 HD11 LEU A 32 19.124 -13.913 -8.355 1.00 61.22 H new ATOM 0 HD12 LEU A 32 17.556 -14.672 -8.715 1.00 61.22 H new ATOM 0 HD13 LEU A 32 18.948 -15.681 -8.256 1.00 61.22 H new ATOM 0 HD21 LEU A 32 20.957 -14.042 -9.920 1.00 2.40 H new ATOM 0 HD22 LEU A 32 20.939 -15.821 -9.959 1.00 2.40 H new ATOM 0 HD23 LEU A 32 20.782 -14.896 -11.472 1.00 2.40 H new ATOM 326 N ASN A 33 17.133 -17.521 -13.773 1.00 54.21 N ATOM 327 CA ASN A 33 16.355 -18.658 -14.339 1.00 2.41 C ATOM 328 C ASN A 33 15.822 -19.467 -13.139 1.00 20.42 C ATOM 329 O ASN A 33 15.804 -20.701 -13.106 1.00 13.44 O ATOM 330 CB ASN A 33 17.254 -19.524 -15.266 1.00 50.02 C ATOM 331 CG ASN A 33 16.481 -20.538 -16.125 1.00 32.32 C ATOM 332 OD1 ASN A 33 16.078 -20.244 -17.243 1.00 55.11 O ATOM 333 ND2 ASN A 33 16.270 -21.724 -15.614 1.00 45.32 N ATOM 0 H ASN A 33 16.808 -16.611 -14.100 1.00 54.21 H new ATOM 0 HA ASN A 33 15.527 -18.309 -14.956 1.00 2.41 H new ATOM 0 HB2 ASN A 33 17.820 -18.865 -15.924 1.00 50.02 H new ATOM 0 HB3 ASN A 33 17.978 -20.061 -14.653 1.00 50.02 H new ATOM 0 HD21 ASN A 33 15.760 -22.427 -16.149 1.00 45.32 H new ATOM 0 HD22 ASN A 33 16.615 -21.946 -14.680 1.00 45.32 H new ATOM 340 N LEU A 34 15.366 -18.724 -12.176 1.00 31.45 N ATOM 341 CA LEU A 34 15.003 -19.233 -10.888 1.00 14.10 C ATOM 342 C LEU A 34 13.507 -19.031 -10.660 1.00 3.13 C ATOM 343 O LEU A 34 12.824 -18.453 -11.495 1.00 51.00 O ATOM 344 CB LEU A 34 15.810 -18.408 -9.877 1.00 75.35 C ATOM 345 CG LEU A 34 15.774 -18.796 -8.414 1.00 24.33 C ATOM 346 CD1 LEU A 34 16.446 -20.144 -8.202 1.00 52.23 C ATOM 347 CD2 LEU A 34 16.446 -17.712 -7.599 1.00 73.12 C ATOM 0 H LEU A 34 15.232 -17.717 -12.268 1.00 31.45 H new ATOM 0 HA LEU A 34 15.211 -20.299 -10.793 1.00 14.10 H new ATOM 0 HB2 LEU A 34 16.852 -18.426 -10.196 1.00 75.35 H new ATOM 0 HB3 LEU A 34 15.471 -17.375 -9.951 1.00 75.35 H new ATOM 0 HG LEU A 34 14.739 -18.894 -8.086 1.00 24.33 H new ATOM 0 HD11 LEU A 34 16.410 -20.406 -7.145 1.00 52.23 H new ATOM 0 HD12 LEU A 34 15.925 -20.906 -8.782 1.00 52.23 H new ATOM 0 HD13 LEU A 34 17.485 -20.088 -8.527 1.00 52.23 H new ATOM 0 HD21 LEU A 34 16.424 -17.984 -6.544 1.00 73.12 H new ATOM 0 HD22 LEU A 34 17.481 -17.601 -7.924 1.00 73.12 H new ATOM 0 HD23 LEU A 34 15.918 -16.769 -7.742 1.00 73.12 H new ATOM 359 N THR A 35 13.004 -19.504 -9.548 1.00 14.14 N ATOM 360 CA THR A 35 11.661 -19.269 -9.179 1.00 4.41 C ATOM 361 C THR A 35 11.685 -18.188 -8.103 1.00 51.20 C ATOM 362 O THR A 35 12.615 -18.164 -7.288 1.00 2.23 O ATOM 363 CB THR A 35 11.004 -20.568 -8.672 1.00 31.40 C ATOM 364 OG1 THR A 35 11.890 -21.220 -7.761 1.00 42.14 O ATOM 365 CG2 THR A 35 10.682 -21.505 -9.828 1.00 61.31 C ATOM 0 H THR A 35 13.531 -20.065 -8.879 1.00 14.14 H new ATOM 0 HA THR A 35 11.066 -18.938 -10.030 1.00 4.41 H new ATOM 0 HB THR A 35 10.071 -20.312 -8.169 1.00 31.40 H new ATOM 0 HG1 THR A 35 11.475 -22.046 -7.435 1.00 42.14 H new ATOM 0 HG21 THR A 35 10.219 -22.413 -9.442 1.00 61.31 H new ATOM 0 HG22 THR A 35 9.995 -21.012 -10.516 1.00 61.31 H new ATOM 0 HG23 THR A 35 11.601 -21.762 -10.355 1.00 61.31 H new ATOM 373 N PRO A 36 10.703 -17.267 -8.084 1.00 70.33 N ATOM 374 CA PRO A 36 10.712 -16.096 -7.177 1.00 4.01 C ATOM 375 C PRO A 36 10.861 -16.408 -5.692 1.00 75.45 C ATOM 376 O PRO A 36 11.297 -15.564 -4.937 1.00 51.40 O ATOM 377 CB PRO A 36 9.387 -15.401 -7.454 1.00 65.23 C ATOM 378 CG PRO A 36 8.990 -15.852 -8.816 1.00 21.04 C ATOM 379 CD PRO A 36 9.516 -17.252 -8.964 1.00 15.51 C ATOM 0 HA PRO A 36 11.593 -15.487 -7.380 1.00 4.01 H new ATOM 0 HB2 PRO A 36 8.636 -15.675 -6.713 1.00 65.23 H new ATOM 0 HB3 PRO A 36 9.494 -14.317 -7.413 1.00 65.23 H new ATOM 0 HG2 PRO A 36 7.907 -15.829 -8.933 1.00 21.04 H new ATOM 0 HG3 PRO A 36 9.408 -15.196 -9.580 1.00 21.04 H new ATOM 0 HD2 PRO A 36 8.778 -17.993 -8.656 1.00 15.51 H new ATOM 0 HD3 PRO A 36 9.780 -17.475 -9.998 1.00 15.51 H new ATOM 387 N GLN A 37 10.532 -17.609 -5.267 1.00 22.31 N ATOM 388 CA GLN A 37 10.650 -17.889 -3.860 1.00 71.24 C ATOM 389 C GLN A 37 11.959 -18.621 -3.532 1.00 43.12 C ATOM 390 O GLN A 37 12.222 -18.956 -2.391 1.00 21.31 O ATOM 391 CB GLN A 37 9.420 -18.625 -3.300 1.00 4.24 C ATOM 392 CG GLN A 37 9.308 -18.448 -1.790 1.00 71.45 C ATOM 393 CD GLN A 37 9.211 -16.970 -1.432 1.00 2.33 C ATOM 394 OE1 GLN A 37 8.626 -16.183 -2.182 1.00 44.21 O ATOM 395 NE2 GLN A 37 9.854 -16.572 -0.363 1.00 71.23 N ATOM 0 H GLN A 37 10.195 -18.375 -5.850 1.00 22.31 H new ATOM 0 HA GLN A 37 10.686 -16.925 -3.353 1.00 71.24 H new ATOM 0 HB2 GLN A 37 8.518 -18.247 -3.780 1.00 4.24 H new ATOM 0 HB3 GLN A 37 9.488 -19.686 -3.540 1.00 4.24 H new ATOM 0 HG2 GLN A 37 8.429 -18.976 -1.420 1.00 71.45 H new ATOM 0 HG3 GLN A 37 10.176 -18.891 -1.301 1.00 71.45 H new ATOM 0 HE21 GLN A 37 10.325 -17.253 0.232 1.00 71.23 H new ATOM 0 HE22 GLN A 37 9.884 -15.581 -0.125 1.00 71.23 H new ATOM 404 N GLN A 38 12.791 -18.855 -4.535 1.00 24.24 N ATOM 405 CA GLN A 38 14.069 -19.489 -4.275 1.00 0.33 C ATOM 406 C GLN A 38 15.187 -18.470 -4.247 1.00 4.03 C ATOM 407 O GLN A 38 16.365 -18.819 -4.307 1.00 72.00 O ATOM 408 CB GLN A 38 14.368 -20.606 -5.272 1.00 1.41 C ATOM 409 CG GLN A 38 13.478 -21.833 -5.116 1.00 12.23 C ATOM 410 CD GLN A 38 13.582 -22.494 -3.742 1.00 62.22 C ATOM 411 OE1 GLN A 38 14.733 -22.410 -3.109 1.00 30.42 O flip ATOM 412 NE2 GLN A 38 12.631 -23.086 -3.263 1.00 65.14 N flip ATOM 0 H GLN A 38 12.610 -18.622 -5.511 1.00 24.24 H new ATOM 0 HA GLN A 38 14.004 -19.948 -3.289 1.00 0.33 H new ATOM 0 HB2 GLN A 38 14.256 -20.215 -6.283 1.00 1.41 H new ATOM 0 HB3 GLN A 38 15.409 -20.909 -5.161 1.00 1.41 H new ATOM 0 HG2 GLN A 38 12.442 -21.545 -5.294 1.00 12.23 H new ATOM 0 HG3 GLN A 38 13.742 -22.563 -5.882 1.00 12.23 H new ATOM 0 HE21 GLN A 38 11.750 -23.136 -3.775 1.00 65.14 H new ATOM 0 HE22 GLN A 38 12.715 -23.532 -2.350 1.00 65.14 H new ATOM 421 N LEU A 39 14.817 -17.214 -4.146 1.00 22.31 N ATOM 422 CA LEU A 39 15.783 -16.163 -4.039 1.00 23.41 C ATOM 423 C LEU A 39 16.058 -15.849 -2.596 1.00 22.43 C ATOM 424 O LEU A 39 15.278 -16.194 -1.717 1.00 53.13 O ATOM 425 CB LEU A 39 15.439 -14.879 -4.860 1.00 53.23 C ATOM 426 CG LEU A 39 14.124 -14.100 -4.576 1.00 55.14 C ATOM 427 CD1 LEU A 39 14.038 -13.604 -3.151 1.00 13.12 C ATOM 428 CD2 LEU A 39 14.059 -12.909 -5.482 1.00 32.34 C ATOM 0 H LEU A 39 13.846 -16.902 -4.136 1.00 22.31 H new ATOM 0 HA LEU A 39 16.695 -16.543 -4.500 1.00 23.41 H new ATOM 0 HB2 LEU A 39 16.264 -14.180 -4.727 1.00 53.23 H new ATOM 0 HB3 LEU A 39 15.427 -15.162 -5.913 1.00 53.23 H new ATOM 0 HG LEU A 39 13.298 -14.790 -4.748 1.00 55.14 H new ATOM 0 HD11 LEU A 39 13.100 -13.067 -3.009 1.00 13.12 H new ATOM 0 HD12 LEU A 39 14.078 -14.452 -2.467 1.00 13.12 H new ATOM 0 HD13 LEU A 39 14.874 -12.934 -2.948 1.00 13.12 H new ATOM 0 HD21 LEU A 39 13.140 -12.356 -5.290 1.00 32.34 H new ATOM 0 HD22 LEU A 39 14.917 -12.263 -5.296 1.00 32.34 H new ATOM 0 HD23 LEU A 39 14.073 -13.240 -6.520 1.00 32.34 H new ATOM 440 N HIS A 40 17.149 -15.222 -2.366 1.00 10.43 N ATOM 441 CA HIS A 40 17.552 -14.847 -1.071 1.00 24.02 C ATOM 442 C HIS A 40 17.069 -13.415 -0.785 1.00 33.11 C ATOM 443 O HIS A 40 17.754 -12.448 -1.092 1.00 14.22 O ATOM 444 CB HIS A 40 19.080 -14.939 -1.002 1.00 33.15 C ATOM 445 CG HIS A 40 19.647 -16.329 -1.214 1.00 13.14 C ATOM 446 ND1 HIS A 40 20.956 -16.573 -1.540 1.00 53.24 N ATOM 447 CD2 HIS A 40 19.057 -17.550 -1.124 1.00 4.41 C ATOM 448 CE1 HIS A 40 21.124 -17.891 -1.646 1.00 44.23 C ATOM 449 NE2 HIS A 40 20.004 -18.533 -1.401 1.00 33.44 N ATOM 0 H HIS A 40 17.804 -14.948 -3.098 1.00 10.43 H new ATOM 0 HA HIS A 40 17.119 -15.507 -0.319 1.00 24.02 H new ATOM 0 HB2 HIS A 40 19.504 -14.271 -1.752 1.00 33.15 H new ATOM 0 HB3 HIS A 40 19.408 -14.573 -0.029 1.00 33.15 H new ATOM 0 HD1 HIS A 40 21.678 -15.866 -1.678 1.00 53.24 H new ATOM 0 HD2 HIS A 40 18.021 -17.729 -0.877 1.00 4.41 H new ATOM 0 HE1 HIS A 40 22.059 -18.369 -1.900 1.00 44.23 H new ATOM 457 N GLU A 41 15.854 -13.279 -0.305 1.00 61.12 N ATOM 458 CA GLU A 41 15.320 -11.952 -0.006 1.00 61.14 C ATOM 459 C GLU A 41 15.743 -11.508 1.371 1.00 34.03 C ATOM 460 O GLU A 41 16.027 -10.327 1.618 1.00 34.13 O ATOM 461 CB GLU A 41 13.800 -11.857 -0.240 1.00 40.00 C ATOM 462 CG GLU A 41 12.928 -12.875 0.491 1.00 51.31 C ATOM 463 CD GLU A 41 11.500 -12.864 -0.044 1.00 75.23 C ATOM 464 OE1 GLU A 41 11.057 -11.815 -0.556 1.00 2.52 O ATOM 465 OE2 GLU A 41 10.825 -13.924 -0.037 1.00 52.52 O ATOM 0 H GLU A 41 15.218 -14.053 -0.112 1.00 61.12 H new ATOM 0 HA GLU A 41 15.754 -11.248 -0.716 1.00 61.14 H new ATOM 0 HB2 GLU A 41 13.473 -10.858 0.050 1.00 40.00 H new ATOM 0 HB3 GLU A 41 13.614 -11.955 -1.309 1.00 40.00 H new ATOM 0 HG2 GLU A 41 13.354 -13.872 0.376 1.00 51.31 H new ATOM 0 HG3 GLU A 41 12.921 -12.652 1.558 1.00 51.31 H new ATOM 472 N GLU A 42 15.830 -12.463 2.227 1.00 0.40 N ATOM 473 CA GLU A 42 16.288 -12.310 3.575 1.00 74.21 C ATOM 474 C GLU A 42 17.727 -12.805 3.677 1.00 61.44 C ATOM 475 O GLU A 42 18.490 -12.392 4.552 1.00 51.31 O ATOM 476 CB GLU A 42 15.352 -13.079 4.554 1.00 11.33 C ATOM 477 CG GLU A 42 14.627 -14.324 3.961 1.00 24.21 C ATOM 478 CD GLU A 42 15.547 -15.321 3.276 1.00 45.00 C ATOM 479 OE1 GLU A 42 15.810 -15.134 2.045 1.00 40.44 O ATOM 480 OE2 GLU A 42 16.038 -16.235 3.937 1.00 44.02 O ATOM 0 H GLU A 42 15.572 -13.424 2.001 1.00 0.40 H new ATOM 0 HA GLU A 42 16.262 -11.257 3.855 1.00 74.21 H new ATOM 0 HB2 GLU A 42 15.941 -13.400 5.413 1.00 11.33 H new ATOM 0 HB3 GLU A 42 14.598 -12.386 4.926 1.00 11.33 H new ATOM 0 HG2 GLU A 42 14.092 -14.833 4.763 1.00 24.21 H new ATOM 0 HG3 GLU A 42 13.879 -13.986 3.243 1.00 24.21 H new ATOM 487 N SER A 43 18.080 -13.655 2.750 1.00 45.33 N ATOM 488 CA SER A 43 19.352 -14.262 2.688 1.00 52.11 C ATOM 489 C SER A 43 20.270 -13.454 1.742 1.00 3.11 C ATOM 490 O SER A 43 19.811 -12.551 1.035 1.00 71.22 O ATOM 491 CB SER A 43 19.160 -15.724 2.246 1.00 63.41 C ATOM 492 OG SER A 43 20.392 -16.444 2.181 1.00 63.42 O ATOM 0 H SER A 43 17.456 -13.944 1.997 1.00 45.33 H new ATOM 0 HA SER A 43 19.844 -14.266 3.661 1.00 52.11 H new ATOM 0 HB2 SER A 43 18.487 -16.225 2.942 1.00 63.41 H new ATOM 0 HB3 SER A 43 18.680 -15.744 1.268 1.00 63.41 H new ATOM 0 HG SER A 43 20.218 -17.366 1.898 1.00 63.42 H new ATOM 498 N ASN A 44 21.550 -13.769 1.748 1.00 42.34 N ATOM 499 CA ASN A 44 22.550 -13.025 0.972 1.00 72.05 C ATOM 500 C ASN A 44 22.422 -13.326 -0.527 1.00 52.43 C ATOM 501 O ASN A 44 22.601 -14.466 -0.965 1.00 62.24 O ATOM 502 CB ASN A 44 23.970 -13.368 1.468 1.00 51.02 C ATOM 503 CG ASN A 44 25.073 -12.476 0.886 1.00 72.21 C ATOM 504 OD1 ASN A 44 24.967 -11.955 -0.209 1.00 43.21 O ATOM 505 ND2 ASN A 44 26.147 -12.317 1.620 1.00 42.23 N ATOM 0 H ASN A 44 21.936 -14.545 2.286 1.00 42.34 H new ATOM 0 HA ASN A 44 22.371 -11.960 1.118 1.00 72.05 H new ATOM 0 HB2 ASN A 44 23.991 -13.290 2.555 1.00 51.02 H new ATOM 0 HB3 ASN A 44 24.189 -14.406 1.218 1.00 51.02 H new ATOM 0 HD21 ASN A 44 26.919 -11.746 1.277 1.00 42.23 H new ATOM 0 HD22 ASN A 44 26.211 -12.765 2.534 1.00 42.23 H new ATOM 512 N LEU A 45 22.165 -12.293 -1.304 1.00 73.51 N ATOM 513 CA LEU A 45 21.989 -12.406 -2.746 1.00 21.43 C ATOM 514 C LEU A 45 23.277 -12.776 -3.486 1.00 2.41 C ATOM 515 O LEU A 45 23.220 -13.314 -4.581 1.00 62.41 O ATOM 516 CB LEU A 45 21.376 -11.130 -3.340 1.00 70.52 C ATOM 517 CG LEU A 45 19.883 -10.891 -3.077 1.00 60.35 C ATOM 518 CD1 LEU A 45 19.497 -9.485 -3.506 1.00 21.43 C ATOM 519 CD2 LEU A 45 19.040 -11.909 -3.852 1.00 33.13 C ATOM 0 H LEU A 45 22.071 -11.340 -0.953 1.00 73.51 H new ATOM 0 HA LEU A 45 21.293 -13.231 -2.894 1.00 21.43 H new ATOM 0 HB2 LEU A 45 21.930 -10.275 -2.953 1.00 70.52 H new ATOM 0 HB3 LEU A 45 21.532 -11.149 -4.419 1.00 70.52 H new ATOM 0 HG LEU A 45 19.695 -11.008 -2.010 1.00 60.35 H new ATOM 0 HD11 LEU A 45 18.436 -9.325 -3.315 1.00 21.43 H new ATOM 0 HD12 LEU A 45 20.081 -8.759 -2.940 1.00 21.43 H new ATOM 0 HD13 LEU A 45 19.697 -9.361 -4.570 1.00 21.43 H new ATOM 0 HD21 LEU A 45 17.983 -11.729 -3.657 1.00 33.13 H new ATOM 0 HD22 LEU A 45 19.235 -11.806 -4.919 1.00 33.13 H new ATOM 0 HD23 LEU A 45 19.302 -12.917 -3.531 1.00 33.13 H new ATOM 531 N ILE A 46 24.430 -12.535 -2.869 1.00 12.15 N ATOM 532 CA ILE A 46 25.722 -12.845 -3.505 1.00 31.00 C ATOM 533 C ILE A 46 25.987 -14.364 -3.400 1.00 71.25 C ATOM 534 O ILE A 46 26.901 -14.905 -4.002 1.00 72.44 O ATOM 535 CB ILE A 46 26.905 -12.026 -2.861 1.00 73.25 C ATOM 536 CG1 ILE A 46 26.576 -10.525 -2.808 1.00 41.11 C ATOM 537 CG2 ILE A 46 28.206 -12.219 -3.638 1.00 20.53 C ATOM 538 CD1 ILE A 46 26.340 -9.876 -4.156 1.00 2.13 C ATOM 0 H ILE A 46 24.504 -12.129 -1.936 1.00 12.15 H new ATOM 0 HA ILE A 46 25.670 -12.553 -4.554 1.00 31.00 H new ATOM 0 HB ILE A 46 27.034 -12.405 -1.847 1.00 73.25 H new ATOM 0 HG12 ILE A 46 25.687 -10.384 -2.193 1.00 41.11 H new ATOM 0 HG13 ILE A 46 27.395 -10.006 -2.309 1.00 41.11 H new ATOM 0 HG21 ILE A 46 29.001 -11.640 -3.167 1.00 20.53 H new ATOM 0 HG22 ILE A 46 28.477 -13.275 -3.638 1.00 20.53 H new ATOM 0 HG23 ILE A 46 28.070 -11.880 -4.665 1.00 20.53 H new ATOM 0 HD11 ILE A 46 26.115 -8.819 -4.016 1.00 2.13 H new ATOM 0 HD12 ILE A 46 27.234 -9.979 -4.771 1.00 2.13 H new ATOM 0 HD13 ILE A 46 25.501 -10.363 -4.652 1.00 2.13 H new ATOM 550 N GLN A 47 25.142 -15.047 -2.634 1.00 55.32 N ATOM 551 CA GLN A 47 25.224 -16.492 -2.530 1.00 71.31 C ATOM 552 C GLN A 47 24.512 -17.137 -3.719 1.00 21.51 C ATOM 553 O GLN A 47 24.544 -18.350 -3.902 1.00 3.14 O ATOM 554 CB GLN A 47 24.642 -16.997 -1.217 1.00 23.11 C ATOM 555 CG GLN A 47 25.371 -16.492 0.022 1.00 74.35 C ATOM 556 CD GLN A 47 26.842 -16.890 0.087 1.00 53.01 C ATOM 557 OE1 GLN A 47 27.193 -18.026 -0.476 1.00 1.15 O flip ATOM 558 NE2 GLN A 47 27.651 -16.175 0.652 1.00 45.33 N flip ATOM 0 H GLN A 47 24.398 -14.622 -2.081 1.00 55.32 H new ATOM 0 HA GLN A 47 26.277 -16.774 -2.545 1.00 71.31 H new ATOM 0 HB2 GLN A 47 23.596 -16.698 -1.157 1.00 23.11 H new ATOM 0 HB3 GLN A 47 24.662 -18.087 -1.218 1.00 23.11 H new ATOM 0 HG2 GLN A 47 25.298 -15.405 0.055 1.00 74.35 H new ATOM 0 HG3 GLN A 47 24.864 -16.872 0.909 1.00 74.35 H new ATOM 0 HE21 GLN A 47 27.347 -15.300 1.079 1.00 45.33 H new ATOM 0 HE22 GLN A 47 28.632 -16.452 0.698 1.00 45.33 H new ATOM 567 N ALA A 48 23.848 -16.301 -4.490 1.00 2.33 N ATOM 568 CA ALA A 48 23.192 -16.693 -5.710 1.00 44.33 C ATOM 569 C ALA A 48 24.033 -16.139 -6.849 1.00 55.32 C ATOM 570 O ALA A 48 25.065 -15.514 -6.590 1.00 32.21 O ATOM 571 CB ALA A 48 21.772 -16.132 -5.754 1.00 65.41 C ATOM 0 H ALA A 48 23.750 -15.308 -4.277 1.00 2.33 H new ATOM 0 HA ALA A 48 23.107 -17.777 -5.785 1.00 44.33 H new ATOM 0 HB1 ALA A 48 21.289 -16.437 -6.682 1.00 65.41 H new ATOM 0 HB2 ALA A 48 21.203 -16.514 -4.906 1.00 65.41 H new ATOM 0 HB3 ALA A 48 21.809 -15.044 -5.705 1.00 65.41 H new ATOM 577 N GLY A 49 23.630 -16.330 -8.094 1.00 15.34 N ATOM 578 CA GLY A 49 24.468 -15.826 -9.156 1.00 23.21 C ATOM 579 C GLY A 49 24.189 -14.371 -9.416 1.00 70.44 C ATOM 580 O GLY A 49 23.408 -14.025 -10.281 1.00 22.02 O ATOM 0 H GLY A 49 22.774 -16.805 -8.381 1.00 15.34 H new ATOM 0 HA2 GLY A 49 25.517 -15.957 -8.890 1.00 23.21 H new ATOM 0 HA3 GLY A 49 24.295 -16.402 -10.065 1.00 23.21 H new ATOM 584 N LEU A 50 24.851 -13.528 -8.694 1.00 21.33 N ATOM 585 CA LEU A 50 24.685 -12.143 -8.818 1.00 44.22 C ATOM 586 C LEU A 50 26.062 -11.514 -8.900 1.00 22.45 C ATOM 587 O LEU A 50 26.754 -11.367 -7.892 1.00 64.15 O ATOM 588 CB LEU A 50 23.926 -11.617 -7.595 1.00 54.21 C ATOM 589 CG LEU A 50 23.482 -10.180 -7.681 1.00 60.15 C ATOM 590 CD1 LEU A 50 22.239 -10.047 -8.538 1.00 71.20 C ATOM 591 CD2 LEU A 50 23.295 -9.547 -6.316 1.00 31.02 C ATOM 0 H LEU A 50 25.535 -13.804 -7.989 1.00 21.33 H new ATOM 0 HA LEU A 50 24.114 -11.895 -9.713 1.00 44.22 H new ATOM 0 HB2 LEU A 50 23.047 -12.242 -7.437 1.00 54.21 H new ATOM 0 HB3 LEU A 50 24.561 -11.732 -6.717 1.00 54.21 H new ATOM 0 HG LEU A 50 24.285 -9.625 -8.166 1.00 60.15 H new ATOM 0 HD11 LEU A 50 21.939 -9.000 -8.584 1.00 71.20 H new ATOM 0 HD12 LEU A 50 22.451 -10.408 -9.544 1.00 71.20 H new ATOM 0 HD13 LEU A 50 21.432 -10.637 -8.103 1.00 71.20 H new ATOM 0 HD21 LEU A 50 22.975 -8.512 -6.436 1.00 31.02 H new ATOM 0 HD22 LEU A 50 22.538 -10.099 -5.760 1.00 31.02 H new ATOM 0 HD23 LEU A 50 24.238 -9.574 -5.770 1.00 31.02 H new ATOM 603 N ASP A 51 26.473 -11.232 -10.101 1.00 55.14 N ATOM 604 CA ASP A 51 27.754 -10.609 -10.365 1.00 51.44 C ATOM 605 C ASP A 51 27.627 -9.100 -10.230 1.00 34.40 C ATOM 606 O ASP A 51 26.538 -8.585 -9.941 1.00 24.00 O ATOM 607 CB ASP A 51 28.253 -10.977 -11.765 1.00 13.41 C ATOM 608 CG ASP A 51 27.229 -10.667 -12.831 1.00 71.33 C ATOM 609 OD1 ASP A 51 27.024 -9.497 -13.157 1.00 75.03 O ATOM 610 OD2 ASP A 51 26.570 -11.603 -13.307 1.00 60.41 O ATOM 0 H ASP A 51 25.928 -11.427 -10.941 1.00 55.14 H new ATOM 0 HA ASP A 51 28.480 -10.973 -9.638 1.00 51.44 H new ATOM 0 HB2 ASP A 51 29.173 -10.432 -11.977 1.00 13.41 H new ATOM 0 HB3 ASP A 51 28.497 -12.039 -11.795 1.00 13.41 H new ATOM 680 N ILE A 53 27.748 -6.900 -12.533 1.00 73.15 N ATOM 681 CA ILE A 53 27.058 -6.272 -13.585 1.00 70.20 C ATOM 682 C ILE A 53 25.605 -6.249 -13.228 1.00 4.15 C ATOM 683 O ILE A 53 24.904 -5.289 -13.506 1.00 53.03 O ATOM 684 CB ILE A 53 27.351 -6.887 -14.982 1.00 22.52 C ATOM 685 CG1 ILE A 53 27.819 -5.795 -15.918 1.00 52.42 C ATOM 686 CG2 ILE A 53 26.150 -7.639 -15.598 1.00 13.44 C ATOM 687 CD1 ILE A 53 26.839 -4.649 -16.021 1.00 64.22 C ATOM 0 HA ILE A 53 27.419 -5.249 -13.694 1.00 70.20 H new ATOM 0 HB ILE A 53 28.130 -7.636 -14.841 1.00 22.52 H new ATOM 0 HG12 ILE A 53 28.780 -5.415 -15.573 1.00 52.42 H new ATOM 0 HG13 ILE A 53 27.981 -6.218 -16.909 1.00 52.42 H new ATOM 0 HG21 ILE A 53 26.432 -8.039 -16.572 1.00 13.44 H new ATOM 0 HG22 ILE A 53 25.857 -8.457 -14.940 1.00 13.44 H new ATOM 0 HG23 ILE A 53 25.313 -6.952 -15.717 1.00 13.44 H new ATOM 0 HD11 ILE A 53 27.230 -3.897 -16.706 1.00 64.22 H new ATOM 0 HD12 ILE A 53 25.884 -5.019 -16.394 1.00 64.22 H new ATOM 0 HD13 ILE A 53 26.696 -4.203 -15.037 1.00 64.22 H new ATOM 699 N ARG A 54 25.178 -7.298 -12.560 1.00 62.21 N ATOM 700 CA ARG A 54 23.870 -7.339 -11.981 1.00 54.40 C ATOM 701 C ARG A 54 23.777 -6.261 -10.963 1.00 31.23 C ATOM 702 O ARG A 54 22.903 -5.430 -11.075 1.00 32.33 O ATOM 703 CB ARG A 54 23.546 -8.712 -11.413 1.00 21.31 C ATOM 704 CG ARG A 54 22.963 -9.653 -12.460 1.00 52.20 C ATOM 705 CD ARG A 54 23.892 -9.834 -13.644 1.00 74.43 C ATOM 706 NE ARG A 54 23.226 -10.486 -14.755 1.00 2.23 N ATOM 707 CZ ARG A 54 23.739 -11.417 -15.544 1.00 74.02 C ATOM 708 NH1 ARG A 54 24.940 -11.944 -15.302 1.00 70.43 N ATOM 709 NH2 ARG A 54 23.018 -11.830 -16.576 1.00 24.44 N ATOM 0 H ARG A 54 25.733 -8.140 -12.408 1.00 62.21 H new ATOM 0 HA ARG A 54 23.119 -7.164 -12.751 1.00 54.40 H new ATOM 0 HB2 ARG A 54 24.452 -9.153 -10.997 1.00 21.31 H new ATOM 0 HB3 ARG A 54 22.838 -8.604 -10.591 1.00 21.31 H new ATOM 0 HG2 ARG A 54 22.764 -10.623 -12.004 1.00 52.20 H new ATOM 0 HG3 ARG A 54 22.007 -9.261 -12.807 1.00 52.20 H new ATOM 0 HD2 ARG A 54 24.267 -8.862 -13.964 1.00 74.43 H new ATOM 0 HD3 ARG A 54 24.757 -10.425 -13.341 1.00 74.43 H new ATOM 0 HE ARG A 54 22.267 -10.199 -14.948 1.00 2.23 H new ATOM 0 HH11 ARG A 54 25.481 -11.631 -14.496 1.00 70.43 H new ATOM 0 HH12 ARG A 54 25.317 -12.660 -15.923 1.00 70.43 H new ATOM 0 HH21 ARG A 54 22.094 -11.432 -16.745 1.00 24.44 H new ATOM 0 HH22 ARG A 54 23.387 -12.546 -17.202 1.00 24.44 H new ATOM 723 N LEU A 55 24.750 -6.204 -10.027 1.00 15.43 N ATOM 724 CA LEU A 55 24.788 -5.121 -9.026 1.00 23.31 C ATOM 725 C LEU A 55 24.661 -3.748 -9.674 1.00 32.43 C ATOM 726 O LEU A 55 23.759 -2.997 -9.331 1.00 25.30 O ATOM 727 CB LEU A 55 26.049 -5.130 -8.140 1.00 33.30 C ATOM 728 CG LEU A 55 26.076 -6.005 -6.869 1.00 3.21 C ATOM 729 CD1 LEU A 55 24.959 -5.662 -5.912 1.00 65.33 C ATOM 730 CD2 LEU A 55 26.123 -7.477 -7.162 1.00 20.14 C ATOM 0 H LEU A 55 25.506 -6.884 -9.946 1.00 15.43 H new ATOM 0 HA LEU A 55 23.928 -5.316 -8.385 1.00 23.31 H new ATOM 0 HB2 LEU A 55 26.887 -5.437 -8.766 1.00 33.30 H new ATOM 0 HB3 LEU A 55 26.241 -4.102 -7.833 1.00 33.30 H new ATOM 0 HG LEU A 55 27.015 -5.764 -6.371 1.00 3.21 H new ATOM 0 HD11 LEU A 55 25.022 -6.305 -5.034 1.00 65.33 H new ATOM 0 HD12 LEU A 55 25.050 -4.620 -5.606 1.00 65.33 H new ATOM 0 HD13 LEU A 55 23.999 -5.813 -6.405 1.00 65.33 H new ATOM 0 HD21 LEU A 55 26.140 -8.034 -6.225 1.00 20.14 H new ATOM 0 HD22 LEU A 55 25.242 -7.762 -7.737 1.00 20.14 H new ATOM 0 HD23 LEU A 55 27.021 -7.705 -7.736 1.00 20.14 H new ATOM 742 N MET A 56 25.524 -3.435 -10.642 1.00 34.31 N ATOM 743 CA MET A 56 25.479 -2.115 -11.284 1.00 42.01 C ATOM 744 C MET A 56 24.185 -1.889 -12.044 1.00 74.13 C ATOM 745 O MET A 56 23.679 -0.760 -12.103 1.00 5.31 O ATOM 746 CB MET A 56 26.690 -1.847 -12.184 1.00 73.11 C ATOM 747 CG MET A 56 27.984 -1.356 -11.492 1.00 1.21 C ATOM 748 SD MET A 56 28.695 -2.464 -10.245 1.00 34.33 S ATOM 749 CE MET A 56 27.770 -2.088 -8.772 1.00 12.42 C ATOM 0 H MET A 56 26.249 -4.060 -10.995 1.00 34.31 H new ATOM 0 HA MET A 56 25.519 -1.394 -10.468 1.00 42.01 H new ATOM 0 HB2 MET A 56 26.922 -2.766 -12.723 1.00 73.11 H new ATOM 0 HB3 MET A 56 26.401 -1.105 -12.928 1.00 73.11 H new ATOM 0 HG2 MET A 56 28.736 -1.177 -12.260 1.00 1.21 H new ATOM 0 HG3 MET A 56 27.777 -0.396 -11.019 1.00 1.21 H new ATOM 0 HE1 MET A 56 27.586 -3.006 -8.214 1.00 12.42 H new ATOM 0 HE2 MET A 56 28.338 -1.394 -8.153 1.00 12.42 H new ATOM 0 HE3 MET A 56 26.818 -1.633 -9.046 1.00 12.42 H new ATOM 759 N ARG A 57 23.627 -2.959 -12.582 1.00 21.43 N ATOM 760 CA ARG A 57 22.380 -2.895 -13.308 1.00 4.13 C ATOM 761 C ARG A 57 21.232 -2.609 -12.327 1.00 32.24 C ATOM 762 O ARG A 57 20.243 -1.998 -12.693 1.00 73.44 O ATOM 763 CB ARG A 57 22.175 -4.194 -14.116 1.00 11.33 C ATOM 764 CG ARG A 57 21.170 -4.094 -15.254 1.00 63.32 C ATOM 765 CD ARG A 57 19.753 -4.403 -14.830 1.00 72.45 C ATOM 766 NE ARG A 57 19.546 -5.834 -14.528 1.00 21.04 N ATOM 767 CZ ARG A 57 18.371 -6.376 -14.189 1.00 61.34 C ATOM 768 NH1 ARG A 57 17.294 -5.597 -14.042 1.00 11.43 N ATOM 769 NH2 ARG A 57 18.270 -7.687 -13.990 1.00 31.22 N ATOM 0 H ARG A 57 24.029 -3.895 -12.526 1.00 21.43 H new ATOM 0 HA ARG A 57 22.399 -2.078 -14.029 1.00 4.13 H new ATOM 0 HB2 ARG A 57 23.136 -4.504 -14.527 1.00 11.33 H new ATOM 0 HB3 ARG A 57 21.851 -4.980 -13.434 1.00 11.33 H new ATOM 0 HG2 ARG A 57 21.205 -3.088 -15.673 1.00 63.32 H new ATOM 0 HG3 ARG A 57 21.462 -4.781 -16.048 1.00 63.32 H new ATOM 0 HD2 ARG A 57 19.505 -3.811 -13.949 1.00 72.45 H new ATOM 0 HD3 ARG A 57 19.067 -4.100 -15.621 1.00 72.45 H new ATOM 0 HE ARG A 57 20.356 -6.452 -14.582 1.00 21.04 H new ATOM 0 HH11 ARG A 57 17.369 -4.590 -14.188 1.00 11.43 H new ATOM 0 HH12 ARG A 57 16.398 -6.010 -13.784 1.00 11.43 H new ATOM 0 HH21 ARG A 57 19.091 -8.284 -14.096 1.00 31.22 H new ATOM 0 HH22 ARG A 57 17.372 -8.096 -13.732 1.00 31.22 H new ATOM 783 N TRP A 58 21.402 -3.041 -11.075 1.00 44.01 N ATOM 784 CA TRP A 58 20.460 -2.716 -9.998 1.00 14.25 C ATOM 785 C TRP A 58 20.509 -1.268 -9.665 1.00 13.15 C ATOM 786 O TRP A 58 19.467 -0.614 -9.652 1.00 63.11 O ATOM 787 CB TRP A 58 20.623 -3.633 -8.775 1.00 62.52 C ATOM 788 CG TRP A 58 20.273 -5.018 -9.168 1.00 2.13 C ATOM 789 CD1 TRP A 58 21.046 -6.118 -9.072 1.00 2.43 C ATOM 790 CD2 TRP A 58 19.050 -5.436 -9.789 1.00 74.42 C ATOM 791 NE1 TRP A 58 20.425 -7.180 -9.663 1.00 65.03 N ATOM 792 CE2 TRP A 58 19.191 -6.788 -10.089 1.00 1.01 C ATOM 793 CE3 TRP A 58 17.851 -4.788 -10.132 1.00 71.32 C ATOM 794 CZ2 TRP A 58 18.208 -7.508 -10.722 1.00 1.42 C ATOM 795 CZ3 TRP A 58 16.861 -5.516 -10.748 1.00 11.21 C ATOM 796 CH2 TRP A 58 17.049 -6.864 -11.043 1.00 45.25 C ATOM 0 H TRP A 58 22.188 -3.620 -10.780 1.00 44.01 H new ATOM 0 HA TRP A 58 19.454 -2.917 -10.366 1.00 14.25 H new ATOM 0 HB2 TRP A 58 21.648 -3.593 -8.407 1.00 62.52 H new ATOM 0 HB3 TRP A 58 19.979 -3.297 -7.962 1.00 62.52 H new ATOM 0 HD1 TRP A 58 22.015 -6.154 -8.597 1.00 2.43 H new ATOM 0 HE1 TRP A 58 20.820 -8.115 -9.769 1.00 65.03 H new ATOM 0 HE3 TRP A 58 17.710 -3.739 -9.916 1.00 71.32 H new ATOM 0 HZ2 TRP A 58 18.348 -8.552 -10.959 1.00 1.42 H new ATOM 0 HZ3 TRP A 58 15.928 -5.038 -11.006 1.00 11.21 H new ATOM 0 HH2 TRP A 58 16.260 -7.412 -11.537 1.00 45.25 H new ATOM 807 N LEU A 59 21.719 -0.728 -9.481 1.00 3.33 N ATOM 808 CA LEU A 59 21.902 0.717 -9.207 1.00 43.52 C ATOM 809 C LEU A 59 21.222 1.534 -10.238 1.00 2.10 C ATOM 810 O LEU A 59 20.497 2.450 -9.927 1.00 72.20 O ATOM 811 CB LEU A 59 23.376 1.139 -9.190 1.00 21.42 C ATOM 812 CG LEU A 59 24.164 0.881 -7.928 1.00 13.43 C ATOM 813 CD1 LEU A 59 23.558 1.625 -6.761 1.00 3.04 C ATOM 814 CD2 LEU A 59 24.253 -0.587 -7.650 1.00 60.43 C ATOM 0 H LEU A 59 22.588 -1.261 -9.515 1.00 3.33 H new ATOM 0 HA LEU A 59 21.472 0.885 -8.219 1.00 43.52 H new ATOM 0 HB2 LEU A 59 23.881 0.629 -10.011 1.00 21.42 H new ATOM 0 HB3 LEU A 59 23.422 2.207 -9.402 1.00 21.42 H new ATOM 0 HG LEU A 59 25.178 1.254 -8.072 1.00 13.43 H new ATOM 0 HD11 LEU A 59 24.140 1.426 -5.861 1.00 3.04 H new ATOM 0 HD12 LEU A 59 23.565 2.695 -6.969 1.00 3.04 H new ATOM 0 HD13 LEU A 59 22.531 1.291 -6.610 1.00 3.04 H new ATOM 0 HD21 LEU A 59 24.825 -0.750 -6.737 1.00 60.43 H new ATOM 0 HD22 LEU A 59 23.250 -0.996 -7.528 1.00 60.43 H new ATOM 0 HD23 LEU A 59 24.749 -1.086 -8.483 1.00 60.43 H new ATOM 826 N HIS A 60 21.464 1.163 -11.455 1.00 2.02 N ATOM 827 CA HIS A 60 20.932 1.803 -12.623 1.00 61.55 C ATOM 828 C HIS A 60 19.398 1.676 -12.664 1.00 53.04 C ATOM 829 O HIS A 60 18.689 2.621 -13.013 1.00 73.21 O ATOM 830 CB HIS A 60 21.591 1.115 -13.821 1.00 23.12 C ATOM 831 CG HIS A 60 21.190 1.613 -15.193 1.00 42.13 C ATOM 832 ND1 HIS A 60 21.944 2.486 -15.949 1.00 52.02 N ATOM 833 CD2 HIS A 60 20.110 1.303 -15.956 1.00 61.13 C ATOM 834 CE1 HIS A 60 21.314 2.672 -17.115 1.00 41.22 C ATOM 835 NE2 HIS A 60 20.198 1.976 -17.168 1.00 31.13 N ATOM 0 H HIS A 60 22.065 0.369 -11.675 1.00 2.02 H new ATOM 0 HA HIS A 60 21.145 2.872 -12.629 1.00 61.55 H new ATOM 0 HB2 HIS A 60 22.671 1.220 -13.723 1.00 23.12 H new ATOM 0 HB3 HIS A 60 21.368 0.049 -13.767 1.00 23.12 H new ATOM 0 HD2 HIS A 60 19.309 0.638 -15.666 1.00 61.13 H new ATOM 0 HE1 HIS A 60 21.674 3.310 -17.909 1.00 41.22 H new ATOM 0 HE2 HIS A 60 19.534 1.939 -17.941 1.00 31.13 H new ATOM 843 N TRP A 61 18.914 0.534 -12.241 1.00 1.40 N ATOM 844 CA TRP A 61 17.513 0.207 -12.284 1.00 51.13 C ATOM 845 C TRP A 61 16.686 1.098 -11.339 1.00 34.02 C ATOM 846 O TRP A 61 15.641 1.596 -11.716 1.00 2.13 O ATOM 847 CB TRP A 61 17.325 -1.264 -11.954 1.00 33.23 C ATOM 848 CG TRP A 61 15.962 -1.743 -12.251 1.00 14.45 C ATOM 849 CD1 TRP A 61 15.475 -2.061 -13.470 1.00 4.05 C ATOM 850 CD2 TRP A 61 14.912 -1.940 -11.328 1.00 21.22 C ATOM 851 NE1 TRP A 61 14.169 -2.450 -13.367 1.00 73.21 N ATOM 852 CE2 TRP A 61 13.798 -2.384 -12.052 1.00 34.43 C ATOM 853 CE3 TRP A 61 14.807 -1.784 -9.956 1.00 25.23 C ATOM 854 CZ2 TRP A 61 12.595 -2.670 -11.446 1.00 3.30 C ATOM 855 CZ3 TRP A 61 13.616 -2.066 -9.352 1.00 44.11 C ATOM 856 CH2 TRP A 61 12.526 -2.504 -10.096 1.00 12.42 C ATOM 0 H TRP A 61 19.495 -0.207 -11.850 1.00 1.40 H new ATOM 0 HA TRP A 61 17.147 0.397 -13.293 1.00 51.13 H new ATOM 0 HB2 TRP A 61 18.045 -1.854 -12.521 1.00 33.23 H new ATOM 0 HB3 TRP A 61 17.541 -1.426 -10.898 1.00 33.23 H new ATOM 0 HD1 TRP A 61 16.036 -2.015 -14.392 1.00 4.05 H new ATOM 0 HE1 TRP A 61 13.571 -2.741 -14.141 1.00 73.21 H new ATOM 0 HE3 TRP A 61 15.652 -1.445 -9.375 1.00 25.23 H new ATOM 0 HZ2 TRP A 61 11.744 -3.011 -12.016 1.00 3.30 H new ATOM 0 HZ3 TRP A 61 13.519 -1.947 -8.283 1.00 44.11 H new ATOM 0 HH2 TRP A 61 11.597 -2.719 -9.588 1.00 12.42 H new ATOM 867 N PHE A 62 17.130 1.252 -10.120 1.00 51.23 N ATOM 868 CA PHE A 62 16.475 2.180 -9.171 1.00 73.42 C ATOM 869 C PHE A 62 16.913 3.607 -9.341 1.00 25.52 C ATOM 870 O PHE A 62 16.245 4.531 -8.873 1.00 71.12 O ATOM 871 CB PHE A 62 16.413 1.738 -7.693 1.00 63.15 C ATOM 872 CG PHE A 62 17.376 0.709 -7.317 1.00 70.20 C ATOM 873 CD1 PHE A 62 18.672 1.032 -7.004 1.00 65.32 C ATOM 874 CD2 PHE A 62 16.980 -0.606 -7.311 1.00 72.35 C ATOM 875 CE1 PHE A 62 19.566 0.030 -6.683 1.00 53.21 C ATOM 876 CE2 PHE A 62 17.850 -1.600 -7.017 1.00 42.31 C ATOM 877 CZ PHE A 62 19.142 -1.297 -6.701 1.00 53.15 C ATOM 0 H PHE A 62 17.938 0.759 -9.740 1.00 51.23 H new ATOM 0 HA PHE A 62 15.430 2.125 -9.477 1.00 73.42 H new ATOM 0 HB2 PHE A 62 16.572 2.612 -7.061 1.00 63.15 H new ATOM 0 HB3 PHE A 62 15.409 1.370 -7.481 1.00 63.15 H new ATOM 0 HD1 PHE A 62 18.991 2.064 -7.009 1.00 65.32 H new ATOM 0 HD2 PHE A 62 15.955 -0.852 -7.545 1.00 72.35 H new ATOM 0 HE1 PHE A 62 20.585 0.273 -6.420 1.00 53.21 H new ATOM 0 HE2 PHE A 62 17.523 -2.629 -7.032 1.00 42.31 H new ATOM 0 HZ PHE A 62 19.838 -2.088 -6.464 1.00 53.15 H new ATOM 887 N ARG A 63 18.077 3.804 -9.943 1.00 52.14 N ATOM 888 CA ARG A 63 18.583 5.147 -10.207 1.00 70.03 C ATOM 889 C ARG A 63 17.533 5.958 -11.001 1.00 42.12 C ATOM 890 O ARG A 63 17.426 7.162 -10.831 1.00 42.14 O ATOM 891 CB ARG A 63 19.899 5.125 -11.005 1.00 34.54 C ATOM 892 CG ARG A 63 20.687 6.420 -10.908 1.00 63.31 C ATOM 893 CD ARG A 63 21.366 6.545 -9.542 1.00 62.13 C ATOM 894 NE ARG A 63 22.642 5.783 -9.467 1.00 24.41 N ATOM 895 CZ ARG A 63 23.088 5.101 -8.386 1.00 4.12 C ATOM 896 NH1 ARG A 63 22.273 4.841 -7.371 1.00 32.45 N ATOM 897 NH2 ARG A 63 24.346 4.649 -8.343 1.00 20.14 N ATOM 0 H ARG A 63 18.690 3.052 -10.259 1.00 52.14 H new ATOM 0 HA ARG A 63 18.777 5.613 -9.241 1.00 70.03 H new ATOM 0 HB2 ARG A 63 20.519 4.304 -10.646 1.00 34.54 H new ATOM 0 HB3 ARG A 63 19.676 4.922 -12.052 1.00 34.54 H new ATOM 0 HG2 ARG A 63 21.439 6.453 -11.697 1.00 63.31 H new ATOM 0 HG3 ARG A 63 20.021 7.268 -11.067 1.00 63.31 H new ATOM 0 HD2 ARG A 63 21.562 7.597 -9.332 1.00 62.13 H new ATOM 0 HD3 ARG A 63 20.687 6.187 -8.768 1.00 62.13 H new ATOM 0 HE ARG A 63 23.230 5.774 -10.300 1.00 24.41 H new ATOM 0 HH11 ARG A 63 21.303 5.156 -7.402 1.00 32.45 H new ATOM 0 HH12 ARG A 63 22.617 4.327 -6.560 1.00 32.45 H new ATOM 0 HH21 ARG A 63 24.976 4.817 -9.128 1.00 20.14 H new ATOM 0 HH22 ARG A 63 24.676 4.136 -7.526 1.00 20.14 H new ATOM 911 N LYS A 64 16.724 5.259 -11.832 1.00 44.13 N ATOM 912 CA LYS A 64 15.658 5.904 -12.614 1.00 1.21 C ATOM 913 C LYS A 64 14.510 6.421 -11.733 1.00 20.24 C ATOM 914 O LYS A 64 13.643 7.138 -12.194 1.00 75.43 O ATOM 915 CB LYS A 64 15.165 5.011 -13.805 1.00 73.41 C ATOM 916 CG LYS A 64 14.474 3.685 -13.460 1.00 62.11 C ATOM 917 CD LYS A 64 13.071 3.894 -12.907 1.00 54.13 C ATOM 918 CE LYS A 64 12.316 2.574 -12.604 1.00 63.35 C ATOM 919 NZ LYS A 64 12.942 1.758 -11.532 1.00 52.30 N ATOM 0 H LYS A 64 16.794 4.251 -11.974 1.00 44.13 H new ATOM 0 HA LYS A 64 16.102 6.789 -13.069 1.00 1.21 H new ATOM 0 HB2 LYS A 64 14.475 5.603 -14.406 1.00 73.41 H new ATOM 0 HB3 LYS A 64 16.025 4.787 -14.436 1.00 73.41 H new ATOM 0 HG2 LYS A 64 14.422 3.062 -14.353 1.00 62.11 H new ATOM 0 HG3 LYS A 64 15.074 3.144 -12.728 1.00 62.11 H new ATOM 0 HD2 LYS A 64 13.135 4.484 -11.992 1.00 54.13 H new ATOM 0 HD3 LYS A 64 12.491 4.477 -13.622 1.00 54.13 H new ATOM 0 HE2 LYS A 64 11.291 2.810 -12.317 1.00 63.35 H new ATOM 0 HE3 LYS A 64 12.262 1.979 -13.516 1.00 63.35 H new ATOM 0 HZ1 LYS A 64 12.232 1.116 -11.125 1.00 52.30 H new ATOM 0 HZ2 LYS A 64 13.724 1.201 -11.932 1.00 52.30 H new ATOM 0 HZ3 LYS A 64 13.308 2.385 -10.788 1.00 52.30 H new ATOM 933 N ASN A 65 14.518 6.029 -10.470 1.00 45.22 N ATOM 934 CA ASN A 65 13.511 6.482 -9.508 1.00 32.21 C ATOM 935 C ASN A 65 14.111 7.625 -8.704 1.00 34.10 C ATOM 936 O ASN A 65 13.481 8.167 -7.798 1.00 43.40 O ATOM 937 CB ASN A 65 13.151 5.368 -8.513 1.00 33.33 C ATOM 938 CG ASN A 65 12.757 4.043 -9.128 1.00 31.33 C ATOM 939 OD1 ASN A 65 13.606 3.224 -9.420 1.00 61.25 O ATOM 940 ND2 ASN A 65 11.489 3.801 -9.305 1.00 5.52 N ATOM 0 H ASN A 65 15.213 5.394 -10.079 1.00 45.22 H new ATOM 0 HA ASN A 65 12.617 6.780 -10.056 1.00 32.21 H new ATOM 0 HB2 ASN A 65 14.005 5.203 -7.855 1.00 33.33 H new ATOM 0 HB3 ASN A 65 12.329 5.716 -7.887 1.00 33.33 H new ATOM 0 HD21 ASN A 65 11.190 2.908 -9.697 1.00 5.52 H new ATOM 0 HD22 ASN A 65 10.795 4.505 -9.052 1.00 5.52 H new ATOM 947 N GLY A 66 15.358 7.953 -9.021 1.00 3.54 N ATOM 948 CA GLY A 66 16.061 9.003 -8.331 1.00 41.44 C ATOM 949 C GLY A 66 16.874 8.491 -7.151 1.00 2.33 C ATOM 950 O GLY A 66 17.308 9.277 -6.300 1.00 62.32 O ATOM 0 H GLY A 66 15.897 7.498 -9.758 1.00 3.54 H new ATOM 0 HA2 GLY A 66 16.725 9.511 -9.031 1.00 41.44 H new ATOM 0 HA3 GLY A 66 15.343 9.744 -7.978 1.00 41.44 H new ATOM 954 N TYR A 67 17.110 7.185 -7.088 1.00 5.13 N ATOM 955 CA TYR A 67 17.831 6.629 -5.966 1.00 41.53 C ATOM 956 C TYR A 67 19.310 6.786 -6.053 1.00 30.45 C ATOM 957 O TYR A 67 19.980 6.128 -6.844 1.00 74.14 O ATOM 958 CB TYR A 67 17.450 5.196 -5.672 1.00 1.30 C ATOM 959 CG TYR A 67 16.092 5.110 -5.092 1.00 15.34 C ATOM 960 CD1 TYR A 67 15.834 5.682 -3.868 1.00 14.34 C ATOM 961 CD2 TYR A 67 15.063 4.504 -5.765 1.00 42.20 C ATOM 962 CE1 TYR A 67 14.588 5.648 -3.323 1.00 14.14 C ATOM 963 CE2 TYR A 67 13.800 4.465 -5.229 1.00 3.13 C ATOM 964 CZ TYR A 67 13.571 5.042 -3.999 1.00 11.31 C ATOM 965 OH TYR A 67 12.317 5.016 -3.449 1.00 3.20 O ATOM 0 H TYR A 67 16.815 6.507 -7.791 1.00 5.13 H new ATOM 0 HA TYR A 67 17.511 7.235 -5.118 1.00 41.53 H new ATOM 0 HB2 TYR A 67 17.494 4.610 -6.590 1.00 1.30 H new ATOM 0 HB3 TYR A 67 18.171 4.760 -4.981 1.00 1.30 H new ATOM 0 HD1 TYR A 67 16.635 6.167 -3.330 1.00 14.34 H new ATOM 0 HD2 TYR A 67 15.248 4.052 -6.728 1.00 42.20 H new ATOM 0 HE1 TYR A 67 14.405 6.099 -2.359 1.00 14.14 H new ATOM 0 HE2 TYR A 67 12.994 3.987 -5.766 1.00 3.13 H new ATOM 0 HH TYR A 67 12.387 5.074 -2.473 1.00 3.20 H new ATOM 975 N ARG A 68 19.808 7.672 -5.242 1.00 25.15 N ATOM 976 CA ARG A 68 21.217 7.901 -5.101 1.00 0.53 C ATOM 977 C ARG A 68 21.740 6.918 -4.089 1.00 4.42 C ATOM 978 O ARG A 68 21.473 7.061 -2.908 1.00 63.14 O ATOM 979 CB ARG A 68 21.474 9.313 -4.594 1.00 30.31 C ATOM 980 CG ARG A 68 20.922 10.414 -5.487 1.00 34.00 C ATOM 981 CD ARG A 68 21.210 11.790 -4.908 1.00 63.43 C ATOM 982 NE ARG A 68 20.659 12.873 -5.748 1.00 31.50 N ATOM 983 CZ ARG A 68 20.871 14.191 -5.553 1.00 55.31 C ATOM 984 NH1 ARG A 68 21.639 14.608 -4.535 1.00 74.50 N ATOM 985 NH2 ARG A 68 20.311 15.087 -6.379 1.00 64.53 N ATOM 0 H ARG A 68 19.234 8.269 -4.647 1.00 25.15 H new ATOM 0 HA ARG A 68 21.712 7.779 -6.065 1.00 0.53 H new ATOM 0 HB2 ARG A 68 21.036 9.414 -3.601 1.00 30.31 H new ATOM 0 HB3 ARG A 68 22.549 9.456 -4.484 1.00 30.31 H new ATOM 0 HG2 ARG A 68 21.364 10.335 -6.480 1.00 34.00 H new ATOM 0 HG3 ARG A 68 19.846 10.284 -5.605 1.00 34.00 H new ATOM 0 HD2 ARG A 68 20.786 11.857 -3.906 1.00 63.43 H new ATOM 0 HD3 ARG A 68 22.287 11.922 -4.807 1.00 63.43 H new ATOM 0 HE ARG A 68 20.072 12.603 -6.537 1.00 31.50 H new ATOM 0 HH11 ARG A 68 22.065 13.928 -3.905 1.00 74.50 H new ATOM 0 HH12 ARG A 68 21.797 15.605 -4.391 1.00 74.50 H new ATOM 0 HH21 ARG A 68 19.726 14.771 -7.153 1.00 64.53 H new ATOM 0 HH22 ARG A 68 20.470 16.084 -6.233 1.00 64.53 H new ATOM 999 N LEU A 69 22.425 5.913 -4.557 1.00 54.04 N ATOM 1000 CA LEU A 69 22.952 4.870 -3.697 1.00 63.54 C ATOM 1001 C LEU A 69 24.342 4.578 -4.125 1.00 54.30 C ATOM 1002 O LEU A 69 24.623 4.519 -5.352 1.00 70.15 O ATOM 1003 CB LEU A 69 22.137 3.563 -3.812 1.00 31.02 C ATOM 1004 CG LEU A 69 20.617 3.634 -3.578 1.00 31.35 C ATOM 1005 CD1 LEU A 69 19.982 2.263 -3.779 1.00 14.12 C ATOM 1006 CD2 LEU A 69 20.297 4.176 -2.191 1.00 44.04 C ATOM 0 H LEU A 69 22.639 5.786 -5.546 1.00 54.04 H new ATOM 0 HA LEU A 69 22.902 5.220 -2.666 1.00 63.54 H new ATOM 0 HB2 LEU A 69 22.302 3.153 -4.809 1.00 31.02 H new ATOM 0 HB3 LEU A 69 22.551 2.848 -3.101 1.00 31.02 H new ATOM 0 HG LEU A 69 20.196 4.323 -4.310 1.00 31.35 H new ATOM 0 HD11 LEU A 69 18.907 2.331 -3.610 1.00 14.12 H new ATOM 0 HD12 LEU A 69 20.168 1.922 -4.797 1.00 14.12 H new ATOM 0 HD13 LEU A 69 20.416 1.554 -3.074 1.00 14.12 H new ATOM 0 HD21 LEU A 69 19.216 4.214 -2.056 1.00 44.04 H new ATOM 0 HD22 LEU A 69 20.734 3.523 -1.435 1.00 44.04 H new ATOM 0 HD23 LEU A 69 20.711 5.179 -2.088 1.00 44.04 H new ATOM 1018 N THR A 70 25.203 4.415 -3.174 1.00 11.01 N ATOM 1019 CA THR A 70 26.536 4.031 -3.444 1.00 45.05 C ATOM 1020 C THR A 70 26.514 2.504 -3.604 1.00 15.41 C ATOM 1021 O THR A 70 25.517 1.862 -3.300 1.00 4.12 O ATOM 1022 CB THR A 70 27.466 4.461 -2.286 1.00 31.31 C ATOM 1023 OG1 THR A 70 27.054 5.747 -1.824 1.00 65.43 O ATOM 1024 CG2 THR A 70 28.922 4.553 -2.737 1.00 61.00 C ATOM 0 H THR A 70 24.993 4.547 -2.185 1.00 11.01 H new ATOM 0 HA THR A 70 26.920 4.510 -4.345 1.00 45.05 H new ATOM 0 HB THR A 70 27.397 3.713 -1.497 1.00 31.31 H new ATOM 0 HG1 THR A 70 26.424 5.641 -1.081 1.00 65.43 H new ATOM 0 HG21 THR A 70 29.545 4.858 -1.896 1.00 61.00 H new ATOM 0 HG22 THR A 70 29.253 3.580 -3.100 1.00 61.00 H new ATOM 0 HG23 THR A 70 29.009 5.287 -3.538 1.00 61.00 H new ATOM 1032 N LEU A 71 27.573 1.944 -4.068 1.00 12.55 N ATOM 1033 CA LEU A 71 27.598 0.530 -4.396 1.00 63.22 C ATOM 1034 C LEU A 71 27.745 -0.299 -3.139 1.00 65.41 C ATOM 1035 O LEU A 71 27.192 -1.387 -3.017 1.00 31.24 O ATOM 1036 CB LEU A 71 28.718 0.173 -5.389 1.00 65.22 C ATOM 1037 CG LEU A 71 28.794 0.975 -6.710 1.00 24.02 C ATOM 1038 CD1 LEU A 71 27.439 1.096 -7.356 1.00 73.21 C ATOM 1039 CD2 LEU A 71 29.386 2.341 -6.490 1.00 73.34 C ATOM 0 H LEU A 71 28.452 2.434 -4.237 1.00 12.55 H new ATOM 0 HA LEU A 71 26.648 0.302 -4.880 1.00 63.22 H new ATOM 0 HB2 LEU A 71 29.672 0.286 -4.873 1.00 65.22 H new ATOM 0 HB3 LEU A 71 28.616 -0.882 -5.643 1.00 65.22 H new ATOM 0 HG LEU A 71 29.449 0.421 -7.383 1.00 24.02 H new ATOM 0 HD11 LEU A 71 27.527 1.665 -8.282 1.00 73.21 H new ATOM 0 HD12 LEU A 71 27.051 0.102 -7.576 1.00 73.21 H new ATOM 0 HD13 LEU A 71 26.757 1.609 -6.678 1.00 73.21 H new ATOM 0 HD21 LEU A 71 29.425 2.878 -7.438 1.00 73.34 H new ATOM 0 HD22 LEU A 71 28.768 2.896 -5.784 1.00 73.34 H new ATOM 0 HD23 LEU A 71 30.394 2.240 -6.089 1.00 73.34 H new ATOM 1051 N ARG A 72 28.471 0.285 -2.211 1.00 12.23 N ATOM 1052 CA ARG A 72 28.802 -0.265 -0.884 1.00 42.33 C ATOM 1053 C ARG A 72 27.557 -0.815 -0.200 1.00 20.10 C ATOM 1054 O ARG A 72 27.572 -1.903 0.330 1.00 41.20 O ATOM 1055 CB ARG A 72 29.373 0.894 -0.059 1.00 75.14 C ATOM 1056 CG ARG A 72 29.466 0.669 1.439 1.00 64.25 C ATOM 1057 CD ARG A 72 29.608 2.004 2.167 1.00 40.20 C ATOM 1058 NE ARG A 72 28.459 2.909 1.895 1.00 4.13 N ATOM 1059 CZ ARG A 72 28.097 3.971 2.647 1.00 63.40 C ATOM 1060 NH1 ARG A 72 28.759 4.263 3.760 1.00 3.14 N ATOM 1061 NH2 ARG A 72 27.073 4.727 2.278 1.00 33.50 N ATOM 0 H ARG A 72 28.876 1.210 -2.356 1.00 12.23 H new ATOM 0 HA ARG A 72 29.516 -1.084 -0.977 1.00 42.33 H new ATOM 0 HB2 ARG A 72 30.371 1.122 -0.434 1.00 75.14 H new ATOM 0 HB3 ARG A 72 28.757 1.776 -0.235 1.00 75.14 H new ATOM 0 HG2 ARG A 72 28.576 0.148 1.791 1.00 64.25 H new ATOM 0 HG3 ARG A 72 30.320 0.031 1.666 1.00 64.25 H new ATOM 0 HD2 ARG A 72 29.684 1.826 3.240 1.00 40.20 H new ATOM 0 HD3 ARG A 72 30.534 2.489 1.858 1.00 40.20 H new ATOM 0 HE ARG A 72 27.895 2.710 1.068 1.00 4.13 H new ATOM 0 HH11 ARG A 72 29.546 3.684 4.052 1.00 3.14 H new ATOM 0 HH12 ARG A 72 28.480 5.066 4.323 1.00 3.14 H new ATOM 0 HH21 ARG A 72 26.558 4.507 1.426 1.00 33.50 H new ATOM 0 HH22 ARG A 72 26.800 5.529 2.846 1.00 33.50 H new ATOM 1075 N GLU A 73 26.524 -0.020 -0.230 1.00 11.55 N ATOM 1076 CA GLU A 73 25.220 -0.286 0.305 1.00 62.43 C ATOM 1077 C GLU A 73 24.743 -1.691 -0.065 1.00 61.32 C ATOM 1078 O GLU A 73 24.495 -2.544 0.797 1.00 33.21 O ATOM 1079 CB GLU A 73 24.252 0.742 -0.308 1.00 72.02 C ATOM 1080 CG GLU A 73 24.310 2.200 0.204 1.00 30.34 C ATOM 1081 CD GLU A 73 25.582 3.032 0.007 1.00 41.21 C ATOM 1082 OE1 GLU A 73 26.691 2.498 -0.133 1.00 45.41 O ATOM 1083 OE2 GLU A 73 25.476 4.275 -0.010 1.00 42.52 O ATOM 0 H GLU A 73 26.578 0.902 -0.663 1.00 11.55 H new ATOM 0 HA GLU A 73 25.254 -0.216 1.392 1.00 62.43 H new ATOM 0 HB2 GLU A 73 24.424 0.760 -1.384 1.00 72.02 H new ATOM 0 HB3 GLU A 73 23.237 0.376 -0.154 1.00 72.02 H new ATOM 0 HG2 GLU A 73 23.492 2.742 -0.269 1.00 30.34 H new ATOM 0 HG3 GLU A 73 24.101 2.176 1.273 1.00 30.34 H new ATOM 1090 N LEU A 74 24.702 -1.923 -1.348 1.00 11.22 N ATOM 1091 CA LEU A 74 24.194 -3.162 -1.918 1.00 44.21 C ATOM 1092 C LEU A 74 25.147 -4.329 -1.694 1.00 22.42 C ATOM 1093 O LEU A 74 24.731 -5.479 -1.685 1.00 54.31 O ATOM 1094 CB LEU A 74 23.909 -3.013 -3.428 1.00 22.25 C ATOM 1095 CG LEU A 74 22.949 -1.895 -3.848 1.00 11.22 C ATOM 1096 CD1 LEU A 74 23.655 -0.558 -3.950 1.00 72.44 C ATOM 1097 CD2 LEU A 74 22.250 -2.231 -5.135 1.00 1.02 C ATOM 0 H LEU A 74 25.023 -1.253 -2.046 1.00 11.22 H new ATOM 0 HA LEU A 74 23.260 -3.377 -1.399 1.00 44.21 H new ATOM 0 HB2 LEU A 74 24.859 -2.853 -3.938 1.00 22.25 H new ATOM 0 HB3 LEU A 74 23.507 -3.959 -3.792 1.00 22.25 H new ATOM 0 HG LEU A 74 22.194 -1.810 -3.066 1.00 11.22 H new ATOM 0 HD11 LEU A 74 22.941 0.209 -4.250 1.00 72.44 H new ATOM 0 HD12 LEU A 74 24.082 -0.297 -2.982 1.00 72.44 H new ATOM 0 HD13 LEU A 74 24.451 -0.623 -4.692 1.00 72.44 H new ATOM 0 HD21 LEU A 74 21.576 -1.418 -5.406 1.00 1.02 H new ATOM 0 HD22 LEU A 74 22.988 -2.369 -5.925 1.00 1.02 H new ATOM 0 HD23 LEU A 74 21.678 -3.150 -5.009 1.00 1.02 H new ATOM 1109 N TYR A 75 26.410 -4.021 -1.522 1.00 4.14 N ATOM 1110 CA TYR A 75 27.442 -5.029 -1.319 1.00 50.05 C ATOM 1111 C TYR A 75 27.574 -5.449 0.120 1.00 40.04 C ATOM 1112 O TYR A 75 27.849 -6.610 0.405 1.00 73.41 O ATOM 1113 CB TYR A 75 28.783 -4.522 -1.829 1.00 64.11 C ATOM 1114 CG TYR A 75 28.927 -4.608 -3.311 1.00 3.25 C ATOM 1115 CD1 TYR A 75 28.834 -5.830 -3.963 1.00 12.32 C ATOM 1116 CD2 TYR A 75 29.146 -3.481 -4.062 1.00 65.34 C ATOM 1117 CE1 TYR A 75 28.964 -5.907 -5.338 1.00 11.32 C ATOM 1118 CE2 TYR A 75 29.274 -3.551 -5.424 1.00 12.34 C ATOM 1119 CZ TYR A 75 29.182 -4.762 -6.051 1.00 74.25 C ATOM 1120 OH TYR A 75 29.314 -4.825 -7.392 1.00 24.12 O ATOM 0 H TYR A 75 26.760 -3.063 -1.518 1.00 4.14 H new ATOM 0 HA TYR A 75 27.135 -5.908 -1.886 1.00 50.05 H new ATOM 0 HB2 TYR A 75 28.912 -3.485 -1.519 1.00 64.11 H new ATOM 0 HB3 TYR A 75 29.582 -5.097 -1.360 1.00 64.11 H new ATOM 0 HD1 TYR A 75 28.658 -6.729 -3.391 1.00 12.32 H new ATOM 0 HD2 TYR A 75 29.219 -2.522 -3.571 1.00 65.34 H new ATOM 0 HE1 TYR A 75 28.894 -6.860 -5.841 1.00 11.32 H new ATOM 0 HE2 TYR A 75 29.447 -2.654 -6.000 1.00 12.34 H new ATOM 0 HH TYR A 75 28.789 -5.577 -7.737 1.00 24.12 H new ATOM 1130 N ALA A 76 27.400 -4.516 1.019 1.00 43.41 N ATOM 1131 CA ALA A 76 27.560 -4.799 2.420 1.00 3.30 C ATOM 1132 C ALA A 76 26.381 -5.594 2.948 1.00 13.33 C ATOM 1133 O ALA A 76 26.540 -6.488 3.776 1.00 44.22 O ATOM 1134 CB ALA A 76 27.765 -3.522 3.220 1.00 73.33 C ATOM 0 H ALA A 76 27.147 -3.551 0.805 1.00 43.41 H new ATOM 0 HA ALA A 76 28.456 -5.408 2.539 1.00 3.30 H new ATOM 0 HB1 ALA A 76 27.883 -3.769 4.275 1.00 73.33 H new ATOM 0 HB2 ALA A 76 28.659 -3.010 2.865 1.00 73.33 H new ATOM 0 HB3 ALA A 76 26.900 -2.871 3.094 1.00 73.33 H new ATOM 1140 N ALA A 77 25.206 -5.275 2.464 1.00 45.11 N ATOM 1141 CA ALA A 77 24.029 -5.988 2.859 1.00 64.12 C ATOM 1142 C ALA A 77 23.204 -6.365 1.638 1.00 64.25 C ATOM 1143 O ALA A 77 22.243 -5.675 1.281 1.00 74.13 O ATOM 1144 CB ALA A 77 23.207 -5.186 3.863 1.00 32.45 C ATOM 0 H ALA A 77 25.045 -4.523 1.794 1.00 45.11 H new ATOM 0 HA ALA A 77 24.336 -6.908 3.357 1.00 64.12 H new ATOM 0 HB1 ALA A 77 22.320 -5.754 4.143 1.00 32.45 H new ATOM 0 HB2 ALA A 77 23.808 -4.990 4.751 1.00 32.45 H new ATOM 0 HB3 ALA A 77 22.905 -4.240 3.413 1.00 32.45 H new ATOM 1150 N PRO A 78 23.591 -7.429 0.930 1.00 23.34 N ATOM 1151 CA PRO A 78 22.879 -7.863 -0.236 1.00 72.01 C ATOM 1152 C PRO A 78 21.738 -8.785 0.128 1.00 52.31 C ATOM 1153 O PRO A 78 21.897 -10.001 0.189 1.00 22.04 O ATOM 1154 CB PRO A 78 23.942 -8.613 -1.061 1.00 55.34 C ATOM 1155 CG PRO A 78 25.181 -8.633 -0.204 1.00 21.44 C ATOM 1156 CD PRO A 78 24.752 -8.274 1.184 1.00 73.31 C ATOM 0 HA PRO A 78 22.427 -7.032 -0.778 1.00 72.01 H new ATOM 0 HB2 PRO A 78 23.613 -9.625 -1.297 1.00 55.34 H new ATOM 0 HB3 PRO A 78 24.129 -8.109 -2.009 1.00 55.34 H new ATOM 0 HG2 PRO A 78 25.648 -9.618 -0.222 1.00 21.44 H new ATOM 0 HG3 PRO A 78 25.920 -7.923 -0.576 1.00 21.44 H new ATOM 0 HD2 PRO A 78 24.495 -9.155 1.773 1.00 73.31 H new ATOM 0 HD3 PRO A 78 25.533 -7.743 1.728 1.00 73.31 H new ATOM 1164 N THR A 79 20.620 -8.188 0.411 1.00 4.13 N ATOM 1165 CA THR A 79 19.393 -8.858 0.745 1.00 31.10 C ATOM 1166 C THR A 79 18.307 -7.917 0.292 1.00 25.22 C ATOM 1167 O THR A 79 18.501 -6.702 0.363 1.00 32.22 O ATOM 1168 CB THR A 79 19.234 -9.059 2.300 1.00 44.34 C ATOM 1169 OG1 THR A 79 19.339 -7.795 2.970 1.00 24.03 O ATOM 1170 CG2 THR A 79 20.271 -10.005 2.888 1.00 43.15 C ATOM 0 H THR A 79 20.531 -7.172 0.416 1.00 4.13 H new ATOM 0 HA THR A 79 19.360 -9.844 0.281 1.00 31.10 H new ATOM 0 HB THR A 79 18.251 -9.504 2.453 1.00 44.34 H new ATOM 0 HG1 THR A 79 19.238 -7.927 3.936 1.00 24.03 H new ATOM 0 HG21 THR A 79 20.108 -10.102 3.961 1.00 43.15 H new ATOM 0 HG22 THR A 79 20.179 -10.984 2.417 1.00 43.15 H new ATOM 0 HG23 THR A 79 21.270 -9.608 2.707 1.00 43.15 H new ATOM 1178 N LEU A 80 17.189 -8.410 -0.164 1.00 51.50 N ATOM 1179 CA LEU A 80 16.117 -7.504 -0.552 1.00 24.34 C ATOM 1180 C LEU A 80 15.545 -6.840 0.649 1.00 11.31 C ATOM 1181 O LEU A 80 14.987 -5.760 0.571 1.00 45.53 O ATOM 1182 CB LEU A 80 15.050 -8.194 -1.336 1.00 72.32 C ATOM 1183 CG LEU A 80 15.482 -8.677 -2.674 1.00 31.04 C ATOM 1184 CD1 LEU A 80 14.310 -9.282 -3.388 1.00 23.22 C ATOM 1185 CD2 LEU A 80 16.064 -7.545 -3.513 1.00 13.31 C ATOM 0 H LEU A 80 16.988 -9.403 -0.278 1.00 51.50 H new ATOM 0 HA LEU A 80 16.549 -6.746 -1.205 1.00 24.34 H new ATOM 0 HB2 LEU A 80 14.684 -9.043 -0.758 1.00 72.32 H new ATOM 0 HB3 LEU A 80 14.211 -7.510 -1.464 1.00 72.32 H new ATOM 0 HG LEU A 80 16.261 -9.426 -2.531 1.00 31.04 H new ATOM 0 HD11 LEU A 80 14.625 -9.637 -4.369 1.00 23.22 H new ATOM 0 HD12 LEU A 80 13.922 -10.119 -2.807 1.00 23.22 H new ATOM 0 HD13 LEU A 80 13.529 -8.531 -3.507 1.00 23.22 H new ATOM 0 HD21 LEU A 80 16.370 -7.933 -4.485 1.00 13.31 H new ATOM 0 HD22 LEU A 80 15.310 -6.770 -3.652 1.00 13.31 H new ATOM 0 HD23 LEU A 80 16.929 -7.122 -3.003 1.00 13.31 H new ATOM 1197 N ALA A 81 15.692 -7.502 1.751 1.00 4.32 N ATOM 1198 CA ALA A 81 15.328 -6.953 3.051 1.00 10.20 C ATOM 1199 C ALA A 81 16.018 -5.587 3.263 1.00 42.15 C ATOM 1200 O ALA A 81 15.364 -4.590 3.566 1.00 34.35 O ATOM 1201 CB ALA A 81 15.709 -7.923 4.162 1.00 31.21 C ATOM 0 H ALA A 81 16.070 -8.448 1.792 1.00 4.32 H new ATOM 0 HA ALA A 81 14.248 -6.805 3.080 1.00 10.20 H new ATOM 0 HB1 ALA A 81 15.431 -7.499 5.127 1.00 31.21 H new ATOM 0 HB2 ALA A 81 15.185 -8.867 4.016 1.00 31.21 H new ATOM 0 HB3 ALA A 81 16.785 -8.098 4.139 1.00 31.21 H new ATOM 1207 N ALA A 82 17.328 -5.545 3.036 1.00 2.35 N ATOM 1208 CA ALA A 82 18.087 -4.311 3.184 1.00 51.44 C ATOM 1209 C ALA A 82 17.884 -3.387 1.987 1.00 13.33 C ATOM 1210 O ALA A 82 17.848 -2.172 2.135 1.00 14.10 O ATOM 1211 CB ALA A 82 19.561 -4.601 3.383 1.00 53.04 C ATOM 0 H ALA A 82 17.884 -6.351 2.749 1.00 2.35 H new ATOM 0 HA ALA A 82 17.712 -3.802 4.072 1.00 51.44 H new ATOM 0 HB1 ALA A 82 20.105 -3.663 3.491 1.00 53.04 H new ATOM 0 HB2 ALA A 82 19.695 -5.204 4.281 1.00 53.04 H new ATOM 0 HB3 ALA A 82 19.944 -5.146 2.520 1.00 53.04 H new ATOM 1217 N TRP A 83 17.719 -3.961 0.804 1.00 53.54 N ATOM 1218 CA TRP A 83 17.522 -3.155 -0.404 1.00 2.14 C ATOM 1219 C TRP A 83 16.176 -2.436 -0.388 1.00 34.44 C ATOM 1220 O TRP A 83 16.004 -1.405 -1.027 1.00 1.42 O ATOM 1221 CB TRP A 83 17.699 -3.965 -1.690 1.00 44.24 C ATOM 1222 CG TRP A 83 19.108 -4.468 -1.946 1.00 23.02 C ATOM 1223 CD1 TRP A 83 20.119 -4.645 -1.039 1.00 71.33 C ATOM 1224 CD2 TRP A 83 19.637 -4.871 -3.205 1.00 74.52 C ATOM 1225 NE1 TRP A 83 21.226 -5.158 -1.655 1.00 72.03 N ATOM 1226 CE2 TRP A 83 20.959 -5.307 -2.989 1.00 73.13 C ATOM 1227 CE3 TRP A 83 19.117 -4.911 -4.492 1.00 32.25 C ATOM 1228 CZ2 TRP A 83 21.759 -5.786 -4.020 1.00 34.21 C ATOM 1229 CZ3 TRP A 83 19.911 -5.381 -5.516 1.00 44.11 C ATOM 1230 CH2 TRP A 83 21.217 -5.819 -5.274 1.00 22.31 C ATOM 0 H TRP A 83 17.717 -4.969 0.650 1.00 53.54 H new ATOM 0 HA TRP A 83 18.307 -2.399 -0.397 1.00 2.14 H new ATOM 0 HB2 TRP A 83 17.025 -4.821 -1.657 1.00 44.24 H new ATOM 0 HB3 TRP A 83 17.391 -3.348 -2.534 1.00 44.24 H new ATOM 0 HD1 TRP A 83 20.051 -4.412 0.013 1.00 71.33 H new ATOM 0 HE1 TRP A 83 22.106 -5.391 -1.196 1.00 72.03 H new ATOM 0 HE3 TRP A 83 18.108 -4.580 -4.687 1.00 32.25 H new ATOM 0 HZ2 TRP A 83 22.770 -6.119 -3.837 1.00 34.21 H new ATOM 0 HZ3 TRP A 83 19.518 -5.412 -6.522 1.00 44.11 H new ATOM 0 HH2 TRP A 83 21.810 -6.191 -6.096 1.00 22.31 H new ATOM 1241 N ASN A 84 15.233 -2.974 0.355 1.00 71.22 N ATOM 1242 CA ASN A 84 13.944 -2.325 0.536 1.00 70.12 C ATOM 1243 C ASN A 84 14.126 -1.093 1.395 1.00 4.12 C ATOM 1244 O ASN A 84 13.486 -0.071 1.185 1.00 51.12 O ATOM 1245 CB ASN A 84 12.926 -3.280 1.182 1.00 3.10 C ATOM 1246 CG ASN A 84 11.566 -2.635 1.421 1.00 33.42 C ATOM 1247 OD1 ASN A 84 10.722 -2.613 0.542 1.00 41.31 O ATOM 1248 ND2 ASN A 84 11.332 -2.148 2.621 1.00 75.53 N ATOM 0 H ASN A 84 15.331 -3.862 0.847 1.00 71.22 H new ATOM 0 HA ASN A 84 13.554 -2.039 -0.441 1.00 70.12 H new ATOM 0 HB2 ASN A 84 12.799 -4.153 0.542 1.00 3.10 H new ATOM 0 HB3 ASN A 84 13.324 -3.636 2.132 1.00 3.10 H new ATOM 0 HD21 ASN A 84 10.424 -1.737 2.837 1.00 75.53 H new ATOM 0 HD22 ASN A 84 12.059 -2.181 3.336 1.00 75.53 H new ATOM 1255 N GLN A 85 15.061 -1.173 2.321 1.00 24.24 N ATOM 1256 CA GLN A 85 15.335 -0.091 3.216 1.00 45.52 C ATOM 1257 C GLN A 85 16.009 1.050 2.440 1.00 63.01 C ATOM 1258 O GLN A 85 15.832 2.225 2.768 1.00 75.15 O ATOM 1259 CB GLN A 85 16.226 -0.577 4.353 1.00 54.00 C ATOM 1260 CG GLN A 85 16.241 0.343 5.546 1.00 73.14 C ATOM 1261 CD GLN A 85 14.875 0.428 6.213 1.00 0.02 C ATOM 1262 OE1 GLN A 85 14.101 -0.515 6.193 1.00 60.43 O ATOM 1263 NE2 GLN A 85 14.559 1.556 6.772 1.00 70.52 N ATOM 0 H GLN A 85 15.647 -1.995 2.466 1.00 24.24 H new ATOM 0 HA GLN A 85 14.405 0.280 3.646 1.00 45.52 H new ATOM 0 HB2 GLN A 85 15.889 -1.564 4.670 1.00 54.00 H new ATOM 0 HB3 GLN A 85 17.244 -0.692 3.981 1.00 54.00 H new ATOM 0 HG2 GLN A 85 16.977 -0.011 6.268 1.00 73.14 H new ATOM 0 HG3 GLN A 85 16.555 1.339 5.233 1.00 73.14 H new ATOM 0 HE21 GLN A 85 15.225 2.328 6.774 1.00 70.52 H new ATOM 0 HE22 GLN A 85 13.644 1.670 7.209 1.00 70.52 H new ATOM 1272 N LEU A 86 16.743 0.685 1.376 1.00 5.45 N ATOM 1273 CA LEU A 86 17.407 1.645 0.481 1.00 13.04 C ATOM 1274 C LEU A 86 16.391 2.603 -0.150 1.00 62.24 C ATOM 1275 O LEU A 86 16.691 3.763 -0.414 1.00 25.11 O ATOM 1276 CB LEU A 86 18.159 0.912 -0.632 1.00 52.51 C ATOM 1277 CG LEU A 86 19.308 0.007 -0.190 1.00 74.41 C ATOM 1278 CD1 LEU A 86 19.837 -0.763 -1.369 1.00 74.13 C ATOM 1279 CD2 LEU A 86 20.437 0.815 0.402 1.00 12.25 C ATOM 0 H LEU A 86 16.893 -0.289 1.112 1.00 5.45 H new ATOM 0 HA LEU A 86 18.113 2.219 1.082 1.00 13.04 H new ATOM 0 HB2 LEU A 86 17.443 0.308 -1.189 1.00 52.51 H new ATOM 0 HB3 LEU A 86 18.555 1.655 -1.324 1.00 52.51 H new ATOM 0 HG LEU A 86 18.922 -0.677 0.566 1.00 74.41 H new ATOM 0 HD11 LEU A 86 20.656 -1.406 -1.046 1.00 74.13 H new ATOM 0 HD12 LEU A 86 19.040 -1.375 -1.791 1.00 74.13 H new ATOM 0 HD13 LEU A 86 20.199 -0.067 -2.125 1.00 74.13 H new ATOM 0 HD21 LEU A 86 21.241 0.146 0.708 1.00 12.25 H new ATOM 0 HD22 LEU A 86 20.812 1.516 -0.343 1.00 12.25 H new ATOM 0 HD23 LEU A 86 20.074 1.367 1.269 1.00 12.25 H new ATOM 1291 N MET A 87 15.174 2.106 -0.350 1.00 43.52 N ATOM 1292 CA MET A 87 14.084 2.886 -0.937 1.00 43.42 C ATOM 1293 C MET A 87 13.724 4.066 -0.055 1.00 64.35 C ATOM 1294 O MET A 87 13.553 5.185 -0.514 1.00 32.14 O ATOM 1295 CB MET A 87 12.827 2.029 -1.098 1.00 74.43 C ATOM 1296 CG MET A 87 12.935 0.881 -2.065 1.00 52.12 C ATOM 1297 SD MET A 87 13.201 1.420 -3.750 1.00 43.02 S ATOM 1298 CE MET A 87 13.037 -0.148 -4.578 1.00 4.03 C ATOM 0 H MET A 87 14.913 1.150 -0.110 1.00 43.52 H new ATOM 0 HA MET A 87 14.432 3.235 -1.909 1.00 43.42 H new ATOM 0 HB2 MET A 87 12.554 1.631 -0.121 1.00 74.43 H new ATOM 0 HB3 MET A 87 12.009 2.674 -1.419 1.00 74.43 H new ATOM 0 HG2 MET A 87 13.756 0.232 -1.762 1.00 52.12 H new ATOM 0 HG3 MET A 87 12.024 0.285 -2.018 1.00 52.12 H new ATOM 0 HE1 MET A 87 13.599 -0.127 -5.512 1.00 4.03 H new ATOM 0 HE2 MET A 87 13.427 -0.940 -3.938 1.00 4.03 H new ATOM 0 HE3 MET A 87 11.985 -0.339 -4.791 1.00 4.03 H new ATOM 1308 N LEU A 88 13.613 3.815 1.206 1.00 31.23 N ATOM 1309 CA LEU A 88 13.177 4.817 2.125 1.00 12.52 C ATOM 1310 C LEU A 88 14.294 5.518 2.874 1.00 54.40 C ATOM 1311 O LEU A 88 14.344 6.747 2.910 1.00 60.30 O ATOM 1312 CB LEU A 88 12.128 4.287 3.056 1.00 24.41 C ATOM 1313 CG LEU A 88 12.257 2.851 3.457 1.00 44.23 C ATOM 1314 CD1 LEU A 88 11.817 2.767 4.863 1.00 52.21 C ATOM 1315 CD2 LEU A 88 11.359 1.979 2.554 1.00 43.22 C ATOM 0 H LEU A 88 13.821 2.911 1.630 1.00 31.23 H new ATOM 0 HA LEU A 88 12.728 5.595 1.507 1.00 12.52 H new ATOM 0 HB2 LEU A 88 12.135 4.896 3.960 1.00 24.41 H new ATOM 0 HB3 LEU A 88 11.154 4.424 2.586 1.00 24.41 H new ATOM 0 HG LEU A 88 13.281 2.493 3.351 1.00 44.23 H new ATOM 0 HD11 LEU A 88 11.892 1.735 5.207 1.00 52.21 H new ATOM 0 HD12 LEU A 88 12.451 3.402 5.481 1.00 52.21 H new ATOM 0 HD13 LEU A 88 10.783 3.101 4.941 1.00 52.21 H new ATOM 0 HD21 LEU A 88 11.454 0.933 2.847 1.00 43.22 H new ATOM 0 HD22 LEU A 88 10.321 2.293 2.661 1.00 43.22 H new ATOM 0 HD23 LEU A 88 11.667 2.094 1.515 1.00 43.22 H new