USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 168:sc= -0.112 (180deg=-0.424) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 89:sc= 0.153 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -139:sc= 0.145 (180deg=-2.22!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.213 USER MOD Single : A 31 THR OG1 : rot -18:sc= 0.649 USER MOD Single : A 33 SER OG : rot -159:sc= -1.04 USER MOD Single : A 40 ASN : amide:sc= -0.379 K(o=-0.38,f=-1.1) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.219 F(o=-1.6,f=-0.22) USER MOD Single : A 67 ASN : amide:sc= -0.554 X(o=-0.55,f=-0.12) USER MOD Single : A 71 THR OG1 : rot 151:sc= 0.335 USER MOD Single : A 77 ASN : amide:sc= -1.69 X(o=-1.7,f=-1.3!) USER MOD Single : A 80 LYS NZ :NH3+ 135:sc= -0.953 (180deg=-1.42) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 161:sc= -0.0356 (180deg=-0.298) USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 8 8.948 9.682 -7.366 1.00 41.35 N ATOM 84 CA ASP A 8 7.553 9.491 -7.746 1.00 63.14 C ATOM 85 C ASP A 8 6.657 10.515 -7.058 1.00 11.43 C ATOM 86 O ASP A 8 5.452 10.565 -7.304 1.00 24.51 O ATOM 87 CB ASP A 8 7.096 8.075 -7.393 1.00 32.02 C ATOM 88 CG ASP A 8 5.777 7.713 -8.046 1.00 73.42 C ATOM 89 OD1 ASP A 8 5.768 7.474 -9.272 1.00 11.51 O ATOM 90 OD2 ASP A 8 4.753 7.668 -7.332 1.00 71.11 O ATOM 0 HA ASP A 8 7.473 9.632 -8.824 1.00 63.14 H new ATOM 0 HB2 ASP A 8 7.860 7.362 -7.704 1.00 32.02 H new ATOM 0 HB3 ASP A 8 6.999 7.987 -6.311 1.00 32.02 H new ATOM 95 N GLU A 9 7.254 11.330 -6.193 1.00 53.34 N ATOM 96 CA GLU A 9 6.508 12.352 -5.468 1.00 20.01 C ATOM 97 C GLU A 9 6.763 13.735 -6.060 1.00 3.11 C ATOM 98 O GLU A 9 6.003 14.674 -5.821 1.00 72.24 O ATOM 99 CB GLU A 9 6.892 12.340 -3.987 1.00 2.31 C ATOM 100 CG GLU A 9 5.774 12.797 -3.064 1.00 63.55 C ATOM 101 CD GLU A 9 4.822 11.674 -2.702 1.00 60.51 C ATOM 102 OE1 GLU A 9 5.063 10.528 -3.136 1.00 33.42 O ATOM 103 OE2 GLU A 9 3.836 11.941 -1.984 1.00 52.32 O ATOM 0 H GLU A 9 8.251 11.302 -5.978 1.00 53.34 H new ATOM 0 HA GLU A 9 5.446 12.126 -5.563 1.00 20.01 H new ATOM 0 HB2 GLU A 9 7.193 11.331 -3.707 1.00 2.31 H new ATOM 0 HB3 GLU A 9 7.759 12.984 -3.840 1.00 2.31 H new ATOM 0 HG2 GLU A 9 6.206 13.210 -2.153 1.00 63.55 H new ATOM 0 HG3 GLU A 9 5.216 13.601 -3.545 1.00 63.55 H new ATOM 110 N ILE A 10 7.838 13.853 -6.832 1.00 24.52 N ATOM 111 CA ILE A 10 8.194 15.120 -7.458 1.00 72.21 C ATOM 112 C ILE A 10 7.009 15.710 -8.216 1.00 22.13 C ATOM 113 O ILE A 10 6.608 16.848 -7.973 1.00 43.51 O ATOM 114 CB ILE A 10 9.379 14.956 -8.428 1.00 73.42 C ATOM 115 CG1 ILE A 10 10.552 14.273 -7.723 1.00 65.31 C ATOM 116 CG2 ILE A 10 9.801 16.308 -8.982 1.00 51.04 C ATOM 117 CD1 ILE A 10 11.798 14.178 -8.577 1.00 34.43 C ATOM 0 H ILE A 10 8.478 13.086 -7.039 1.00 24.52 H new ATOM 0 HA ILE A 10 8.484 15.798 -6.655 1.00 72.21 H new ATOM 0 HB ILE A 10 9.064 14.327 -9.261 1.00 73.42 H new ATOM 0 HG12 ILE A 10 10.787 14.822 -6.811 1.00 65.31 H new ATOM 0 HG13 ILE A 10 10.250 13.270 -7.422 1.00 65.31 H new ATOM 0 HG21 ILE A 10 10.639 16.175 -9.666 1.00 51.04 H new ATOM 0 HG22 ILE A 10 8.965 16.759 -9.516 1.00 51.04 H new ATOM 0 HG23 ILE A 10 10.102 16.960 -8.162 1.00 51.04 H new ATOM 0 HD11 ILE A 10 12.589 13.683 -8.013 1.00 34.43 H new ATOM 0 HD12 ILE A 10 11.579 13.603 -9.477 1.00 34.43 H new ATOM 0 HD13 ILE A 10 12.125 15.180 -8.857 1.00 34.43 H new ATOM 129 N PHE A 11 6.452 14.927 -9.133 1.00 55.24 N ATOM 130 CA PHE A 11 5.311 15.372 -9.927 1.00 24.54 C ATOM 131 C PHE A 11 4.069 15.526 -9.054 1.00 60.12 C ATOM 132 O PHE A 11 3.216 16.374 -9.315 1.00 73.20 O ATOM 133 CB PHE A 11 5.033 14.381 -11.059 1.00 25.53 C ATOM 134 CG PHE A 11 4.166 13.226 -10.646 1.00 14.45 C ATOM 135 CD1 PHE A 11 4.725 12.085 -10.094 1.00 73.45 C ATOM 136 CD2 PHE A 11 2.791 13.283 -10.808 1.00 12.43 C ATOM 137 CE1 PHE A 11 3.928 11.021 -9.714 1.00 64.12 C ATOM 138 CE2 PHE A 11 1.989 12.223 -10.429 1.00 22.12 C ATOM 139 CZ PHE A 11 2.559 11.091 -9.880 1.00 71.44 C ATOM 0 H PHE A 11 6.771 13.982 -9.345 1.00 55.24 H new ATOM 0 HA PHE A 11 5.555 16.344 -10.356 1.00 24.54 H new ATOM 0 HB2 PHE A 11 4.553 14.909 -11.883 1.00 25.53 H new ATOM 0 HB3 PHE A 11 5.981 13.997 -11.436 1.00 25.53 H new ATOM 0 HD1 PHE A 11 5.795 12.026 -9.959 1.00 73.45 H new ATOM 0 HD2 PHE A 11 2.340 14.166 -11.236 1.00 12.43 H new ATOM 0 HE1 PHE A 11 4.376 10.136 -9.288 1.00 64.12 H new ATOM 0 HE2 PHE A 11 0.919 12.280 -10.562 1.00 22.12 H new ATOM 0 HZ PHE A 11 1.935 10.262 -9.581 1.00 71.44 H new ATOM 149 N SER A 12 3.975 14.699 -8.017 1.00 51.54 N ATOM 150 CA SER A 12 2.835 14.740 -7.108 1.00 44.24 C ATOM 151 C SER A 12 2.779 16.073 -6.367 1.00 70.35 C ATOM 152 O SER A 12 1.740 16.732 -6.328 1.00 74.42 O ATOM 153 CB SER A 12 2.915 13.589 -6.105 1.00 24.55 C ATOM 154 OG SER A 12 2.226 13.906 -4.908 1.00 0.21 O ATOM 0 H SER A 12 4.674 13.993 -7.786 1.00 51.54 H new ATOM 0 HA SER A 12 1.926 14.635 -7.699 1.00 44.24 H new ATOM 0 HB2 SER A 12 2.488 12.688 -6.546 1.00 24.55 H new ATOM 0 HB3 SER A 12 3.959 13.370 -5.880 1.00 24.55 H new ATOM 0 HG SER A 12 2.291 13.153 -4.284 1.00 0.21 H new ATOM 160 N LYS A 13 3.905 16.464 -5.780 1.00 72.03 N ATOM 161 CA LYS A 13 3.987 17.718 -5.041 1.00 31.12 C ATOM 162 C LYS A 13 3.828 18.912 -5.976 1.00 12.51 C ATOM 163 O LYS A 13 3.063 19.835 -5.696 1.00 14.31 O ATOM 164 CB LYS A 13 5.323 17.811 -4.300 1.00 60.34 C ATOM 165 CG LYS A 13 5.587 19.176 -3.690 1.00 53.42 C ATOM 166 CD LYS A 13 6.780 19.856 -4.339 1.00 44.35 C ATOM 167 CE LYS A 13 8.087 19.430 -3.688 1.00 0.22 C ATOM 168 NZ LYS A 13 8.556 18.111 -4.196 1.00 12.14 N ATOM 0 H LYS A 13 4.774 15.930 -5.802 1.00 72.03 H new ATOM 0 HA LYS A 13 3.174 17.737 -4.315 1.00 31.12 H new ATOM 0 HB2 LYS A 13 5.344 17.060 -3.511 1.00 60.34 H new ATOM 0 HB3 LYS A 13 6.130 17.569 -4.992 1.00 60.34 H new ATOM 0 HG2 LYS A 13 4.703 19.803 -3.804 1.00 53.42 H new ATOM 0 HG3 LYS A 13 5.766 19.069 -2.620 1.00 53.42 H new ATOM 0 HD2 LYS A 13 6.805 19.613 -5.401 1.00 44.35 H new ATOM 0 HD3 LYS A 13 6.670 20.938 -4.262 1.00 44.35 H new ATOM 0 HE2 LYS A 13 8.850 20.185 -3.878 1.00 0.22 H new ATOM 0 HE3 LYS A 13 7.954 19.377 -2.607 1.00 0.22 H new ATOM 0 HZ1 LYS A 13 9.536 17.949 -3.889 1.00 12.14 H new ATOM 0 HZ2 LYS A 13 7.946 17.357 -3.820 1.00 12.14 H new ATOM 0 HZ3 LYS A 13 8.514 18.104 -5.235 1.00 12.14 H new ATOM 182 N VAL A 14 4.554 18.888 -7.089 1.00 5.12 N ATOM 183 CA VAL A 14 4.492 19.968 -8.067 1.00 32.24 C ATOM 184 C VAL A 14 3.081 20.124 -8.623 1.00 61.23 C ATOM 185 O VAL A 14 2.563 21.236 -8.727 1.00 21.22 O ATOM 186 CB VAL A 14 5.468 19.726 -9.233 1.00 4.21 C ATOM 187 CG1 VAL A 14 5.341 20.828 -10.273 1.00 53.25 C ATOM 188 CG2 VAL A 14 6.897 19.629 -8.720 1.00 1.35 C ATOM 0 H VAL A 14 5.192 18.132 -7.336 1.00 5.12 H new ATOM 0 HA VAL A 14 4.778 20.883 -7.548 1.00 32.24 H new ATOM 0 HB VAL A 14 5.211 18.779 -9.708 1.00 4.21 H new ATOM 0 HG11 VAL A 14 6.038 20.640 -11.089 1.00 53.25 H new ATOM 0 HG12 VAL A 14 4.323 20.845 -10.662 1.00 53.25 H new ATOM 0 HG13 VAL A 14 5.570 21.790 -9.814 1.00 53.25 H new ATOM 0 HG21 VAL A 14 7.573 19.458 -9.557 1.00 1.35 H new ATOM 0 HG22 VAL A 14 7.168 20.558 -8.219 1.00 1.35 H new ATOM 0 HG23 VAL A 14 6.975 18.801 -8.015 1.00 1.35 H new ATOM 198 N ARG A 15 2.464 19.002 -8.980 1.00 64.02 N ATOM 199 CA ARG A 15 1.113 19.014 -9.527 1.00 61.13 C ATOM 200 C ARG A 15 0.099 19.423 -8.463 1.00 41.10 C ATOM 201 O ARG A 15 -0.918 20.047 -8.767 1.00 63.42 O ATOM 202 CB ARG A 15 0.754 17.636 -10.086 1.00 20.31 C ATOM 203 CG ARG A 15 -0.612 17.585 -10.750 1.00 71.22 C ATOM 204 CD ARG A 15 -1.691 17.144 -9.773 1.00 3.31 C ATOM 205 NE ARG A 15 -1.399 15.838 -9.188 1.00 52.22 N ATOM 206 CZ ARG A 15 -2.216 15.209 -8.352 1.00 35.45 C ATOM 207 NH1 ARG A 15 -3.370 15.762 -8.004 1.00 3.55 N ATOM 208 NH2 ARG A 15 -1.881 14.022 -7.861 1.00 60.04 N ATOM 0 H ARG A 15 2.878 18.073 -8.900 1.00 64.02 H new ATOM 0 HA ARG A 15 1.082 19.746 -10.334 1.00 61.13 H new ATOM 0 HB2 ARG A 15 1.512 17.338 -10.811 1.00 20.31 H new ATOM 0 HB3 ARG A 15 0.783 16.906 -9.277 1.00 20.31 H new ATOM 0 HG2 ARG A 15 -0.861 18.568 -11.149 1.00 71.22 H new ATOM 0 HG3 ARG A 15 -0.582 16.897 -11.595 1.00 71.22 H new ATOM 0 HD2 ARG A 15 -1.785 17.884 -8.978 1.00 3.31 H new ATOM 0 HD3 ARG A 15 -2.651 17.104 -10.287 1.00 3.31 H new ATOM 0 HE ARG A 15 -0.519 15.385 -9.435 1.00 52.22 H new ATOM 0 HH11 ARG A 15 -3.632 16.674 -8.379 1.00 3.55 H new ATOM 0 HH12 ARG A 15 -3.995 15.276 -7.361 1.00 3.55 H new ATOM 0 HH21 ARG A 15 -0.995 13.592 -8.126 1.00 60.04 H new ATOM 0 HH22 ARG A 15 -2.510 13.540 -7.219 1.00 60.04 H new ATOM 222 N SER A 16 0.383 19.067 -7.214 1.00 44.33 N ATOM 223 CA SER A 16 -0.505 19.393 -6.105 1.00 55.53 C ATOM 224 C SER A 16 -0.606 20.904 -5.916 1.00 23.03 C ATOM 225 O SER A 16 -1.588 21.408 -5.370 1.00 24.04 O ATOM 226 CB SER A 16 -0.008 18.738 -4.816 1.00 11.05 C ATOM 227 OG SER A 16 -0.794 19.136 -3.705 1.00 44.13 O ATOM 0 H SER A 16 1.222 18.552 -6.945 1.00 44.33 H new ATOM 0 HA SER A 16 -1.497 19.007 -6.340 1.00 55.53 H new ATOM 0 HB2 SER A 16 -0.042 17.653 -4.919 1.00 11.05 H new ATOM 0 HB3 SER A 16 1.034 19.010 -4.645 1.00 11.05 H new ATOM 0 HG SER A 16 -0.457 18.702 -2.894 1.00 44.13 H new ATOM 233 N ILE A 17 0.417 21.620 -6.370 1.00 51.15 N ATOM 234 CA ILE A 17 0.444 23.073 -6.252 1.00 62.43 C ATOM 235 C ILE A 17 -0.553 23.721 -7.207 1.00 64.31 C ATOM 236 O ILE A 17 -1.400 24.512 -6.792 1.00 42.34 O ATOM 237 CB ILE A 17 1.850 23.634 -6.537 1.00 12.35 C ATOM 238 CG1 ILE A 17 2.864 23.055 -5.548 1.00 12.01 C ATOM 239 CG2 ILE A 17 1.838 25.154 -6.462 1.00 70.23 C ATOM 240 CD1 ILE A 17 4.276 23.009 -6.088 1.00 50.01 C ATOM 0 H ILE A 17 1.238 21.218 -6.823 1.00 51.15 H new ATOM 0 HA ILE A 17 0.167 23.312 -5.225 1.00 62.43 H new ATOM 0 HB ILE A 17 2.145 23.341 -7.545 1.00 12.35 H new ATOM 0 HG12 ILE A 17 2.852 23.652 -4.636 1.00 12.01 H new ATOM 0 HG13 ILE A 17 2.556 22.046 -5.273 1.00 12.01 H new ATOM 0 HG21 ILE A 17 2.838 25.536 -6.666 1.00 70.23 H new ATOM 0 HG22 ILE A 17 1.141 25.549 -7.201 1.00 70.23 H new ATOM 0 HG23 ILE A 17 1.526 25.467 -5.466 1.00 70.23 H new ATOM 0 HD11 ILE A 17 4.940 22.588 -5.334 1.00 50.01 H new ATOM 0 HD12 ILE A 17 4.303 22.388 -6.983 1.00 50.01 H new ATOM 0 HD13 ILE A 17 4.604 24.018 -6.337 1.00 50.01 H new ATOM 252 N ILE A 18 -0.447 23.378 -8.486 1.00 45.14 N ATOM 253 CA ILE A 18 -1.341 23.924 -9.500 1.00 3.33 C ATOM 254 C ILE A 18 -2.718 23.275 -9.425 1.00 33.11 C ATOM 255 O ILE A 18 -3.731 23.905 -9.730 1.00 4.52 O ATOM 256 CB ILE A 18 -0.771 23.731 -10.917 1.00 65.42 C ATOM 257 CG1 ILE A 18 -0.698 22.242 -11.262 1.00 64.40 C ATOM 258 CG2 ILE A 18 0.604 24.373 -11.028 1.00 10.34 C ATOM 259 CD1 ILE A 18 -0.145 21.968 -12.643 1.00 73.33 C ATOM 0 H ILE A 18 0.249 22.725 -8.845 1.00 45.14 H new ATOM 0 HA ILE A 18 -1.433 24.991 -9.297 1.00 3.33 H new ATOM 0 HB ILE A 18 -1.437 24.219 -11.629 1.00 65.42 H new ATOM 0 HG12 ILE A 18 -0.076 21.736 -10.523 1.00 64.40 H new ATOM 0 HG13 ILE A 18 -1.696 21.811 -11.187 1.00 64.40 H new ATOM 0 HG21 ILE A 18 0.993 24.228 -12.036 1.00 10.34 H new ATOM 0 HG22 ILE A 18 0.525 25.440 -10.820 1.00 10.34 H new ATOM 0 HG23 ILE A 18 1.280 23.912 -10.308 1.00 10.34 H new ATOM 0 HD11 ILE A 18 -0.122 20.893 -12.819 1.00 73.33 H new ATOM 0 HD12 ILE A 18 -0.780 22.445 -13.390 1.00 73.33 H new ATOM 0 HD13 ILE A 18 0.866 22.369 -12.716 1.00 73.33 H new ATOM 271 N SER A 19 -2.749 22.011 -9.015 1.00 71.33 N ATOM 272 CA SER A 19 -4.003 21.274 -8.902 1.00 4.32 C ATOM 273 C SER A 19 -5.026 22.066 -8.093 1.00 72.51 C ATOM 274 O SER A 19 -6.231 21.951 -8.316 1.00 21.11 O ATOM 275 CB SER A 19 -3.761 19.913 -8.247 1.00 72.45 C ATOM 276 OG SER A 19 -4.925 19.453 -7.582 1.00 60.14 O ATOM 0 H SER A 19 -1.920 21.476 -8.756 1.00 71.33 H new ATOM 0 HA SER A 19 -4.399 21.121 -9.906 1.00 4.32 H new ATOM 0 HB2 SER A 19 -3.461 19.189 -9.005 1.00 72.45 H new ATOM 0 HB3 SER A 19 -2.938 19.989 -7.536 1.00 72.45 H new ATOM 0 HG SER A 19 -5.481 18.946 -8.209 1.00 60.14 H new ATOM 282 N GLU A 20 -4.536 22.868 -7.153 1.00 52.14 N ATOM 283 CA GLU A 20 -5.408 23.678 -6.311 1.00 31.24 C ATOM 284 C GLU A 20 -6.168 24.706 -7.143 1.00 41.35 C ATOM 285 O GLU A 20 -7.368 24.906 -6.957 1.00 62.22 O ATOM 286 CB GLU A 20 -4.593 24.385 -5.226 1.00 42.32 C ATOM 287 CG GLU A 20 -5.446 25.098 -4.190 1.00 73.43 C ATOM 288 CD GLU A 20 -6.006 24.152 -3.146 1.00 31.25 C ATOM 289 OE1 GLU A 20 -5.213 23.619 -2.341 1.00 55.11 O ATOM 290 OE2 GLU A 20 -7.238 23.945 -3.133 1.00 23.14 O ATOM 0 H GLU A 20 -3.541 22.974 -6.956 1.00 52.14 H new ATOM 0 HA GLU A 20 -6.131 23.014 -5.838 1.00 31.24 H new ATOM 0 HB2 GLU A 20 -3.962 23.653 -4.723 1.00 42.32 H new ATOM 0 HB3 GLU A 20 -3.928 25.109 -5.697 1.00 42.32 H new ATOM 0 HG2 GLU A 20 -4.848 25.864 -3.697 1.00 73.43 H new ATOM 0 HG3 GLU A 20 -6.268 25.609 -4.691 1.00 73.43 H new ATOM 297 N GLN A 21 -5.459 25.356 -8.061 1.00 72.23 N ATOM 298 CA GLN A 21 -6.066 26.365 -8.922 1.00 31.54 C ATOM 299 C GLN A 21 -6.729 25.719 -10.134 1.00 30.42 C ATOM 300 O GLN A 21 -7.910 25.945 -10.403 1.00 64.31 O ATOM 301 CB GLN A 21 -5.013 27.375 -9.379 1.00 52.25 C ATOM 302 CG GLN A 21 -5.603 28.612 -10.039 1.00 22.35 C ATOM 303 CD GLN A 21 -6.198 29.580 -9.035 1.00 74.24 C ATOM 304 OE1 GLN A 21 -5.486 30.154 -8.212 1.00 12.55 O ATOM 305 NE2 GLN A 21 -7.512 29.766 -9.100 1.00 4.12 N ATOM 0 H GLN A 21 -4.465 25.202 -8.228 1.00 72.23 H new ATOM 0 HA GLN A 21 -6.832 26.885 -8.347 1.00 31.54 H new ATOM 0 HB2 GLN A 21 -4.418 27.681 -8.519 1.00 52.25 H new ATOM 0 HB3 GLN A 21 -4.334 26.888 -10.079 1.00 52.25 H new ATOM 0 HG2 GLN A 21 -4.826 29.119 -10.611 1.00 22.35 H new ATOM 0 HG3 GLN A 21 -6.374 28.309 -10.747 1.00 22.35 H new ATOM 0 HE21 GLN A 21 -8.064 29.269 -9.799 1.00 4.12 H new ATOM 0 HE22 GLN A 21 -7.969 30.406 -8.451 1.00 4.12 H new ATOM 314 N LEU A 22 -5.963 24.914 -10.862 1.00 43.43 N ATOM 315 CA LEU A 22 -6.476 24.235 -12.047 1.00 44.22 C ATOM 316 C LEU A 22 -7.576 23.247 -11.675 1.00 22.44 C ATOM 317 O LEU A 22 -8.330 22.789 -12.534 1.00 1.14 O ATOM 318 CB LEU A 22 -5.343 23.506 -12.772 1.00 23.04 C ATOM 319 CG LEU A 22 -4.530 24.343 -13.761 1.00 34.53 C ATOM 320 CD1 LEU A 22 -4.036 25.620 -13.100 1.00 33.13 C ATOM 321 CD2 LEU A 22 -3.361 23.536 -14.307 1.00 74.02 C ATOM 0 H LEU A 22 -4.985 24.715 -10.653 1.00 43.43 H new ATOM 0 HA LEU A 22 -6.899 24.988 -12.712 1.00 44.22 H new ATOM 0 HB2 LEU A 22 -4.662 23.101 -12.024 1.00 23.04 H new ATOM 0 HB3 LEU A 22 -5.768 22.658 -13.309 1.00 23.04 H new ATOM 0 HG LEU A 22 -5.177 24.617 -14.594 1.00 34.53 H new ATOM 0 HD11 LEU A 22 -3.460 26.202 -13.819 1.00 33.13 H new ATOM 0 HD12 LEU A 22 -4.889 26.206 -12.759 1.00 33.13 H new ATOM 0 HD13 LEU A 22 -3.405 25.368 -12.248 1.00 33.13 H new ATOM 0 HD21 LEU A 22 -2.793 24.147 -15.009 1.00 74.02 H new ATOM 0 HD22 LEU A 22 -2.713 23.232 -13.485 1.00 74.02 H new ATOM 0 HD23 LEU A 22 -3.738 22.650 -14.819 1.00 74.02 H new ATOM 333 N ASP A 23 -7.663 22.923 -10.389 1.00 43.12 N ATOM 334 CA ASP A 23 -8.673 21.991 -9.902 1.00 11.21 C ATOM 335 C ASP A 23 -8.642 20.691 -10.699 1.00 33.33 C ATOM 336 O ASP A 23 -9.685 20.111 -11.003 1.00 11.13 O ATOM 337 CB ASP A 23 -10.063 22.623 -9.987 1.00 34.03 C ATOM 338 CG ASP A 23 -10.260 23.728 -8.968 1.00 12.32 C ATOM 339 OD1 ASP A 23 -10.299 23.420 -7.759 1.00 22.14 O ATOM 340 OD2 ASP A 23 -10.377 24.902 -9.380 1.00 25.32 O ATOM 0 H ASP A 23 -7.046 23.292 -9.665 1.00 43.12 H new ATOM 0 HA ASP A 23 -8.449 21.762 -8.860 1.00 11.21 H new ATOM 0 HB2 ASP A 23 -10.215 23.025 -10.989 1.00 34.03 H new ATOM 0 HB3 ASP A 23 -10.819 21.853 -9.834 1.00 34.03 H new ATOM 345 N LYS A 24 -7.439 20.237 -11.035 1.00 55.43 N ATOM 346 CA LYS A 24 -7.271 19.005 -11.797 1.00 11.53 C ATOM 347 C LYS A 24 -6.291 18.066 -11.102 1.00 31.25 C ATOM 348 O LYS A 24 -5.418 18.505 -10.352 1.00 54.35 O ATOM 349 CB LYS A 24 -6.777 19.319 -13.211 1.00 14.21 C ATOM 350 CG LYS A 24 -5.351 19.840 -13.256 1.00 14.43 C ATOM 351 CD LYS A 24 -4.847 19.963 -14.684 1.00 20.52 C ATOM 352 CE LYS A 24 -4.542 18.599 -15.286 1.00 0.43 C ATOM 353 NZ LYS A 24 -3.135 18.183 -15.032 1.00 1.23 N ATOM 0 H LYS A 24 -6.566 20.704 -10.791 1.00 55.43 H new ATOM 0 HA LYS A 24 -8.240 18.510 -11.859 1.00 11.53 H new ATOM 0 HB2 LYS A 24 -6.845 18.417 -13.819 1.00 14.21 H new ATOM 0 HB3 LYS A 24 -7.439 20.058 -13.662 1.00 14.21 H new ATOM 0 HG2 LYS A 24 -5.303 20.813 -12.767 1.00 14.43 H new ATOM 0 HG3 LYS A 24 -4.700 19.169 -12.696 1.00 14.43 H new ATOM 0 HD2 LYS A 24 -5.595 20.472 -15.293 1.00 20.52 H new ATOM 0 HD3 LYS A 24 -3.948 20.579 -14.702 1.00 20.52 H new ATOM 0 HE2 LYS A 24 -5.221 17.857 -14.867 1.00 0.43 H new ATOM 0 HE3 LYS A 24 -4.724 18.627 -16.360 1.00 0.43 H new ATOM 0 HZ1 LYS A 24 -2.745 17.737 -15.887 1.00 1.23 H new ATOM 0 HZ2 LYS A 24 -2.565 19.018 -14.786 1.00 1.23 H new ATOM 0 HZ3 LYS A 24 -3.111 17.503 -14.245 1.00 1.23 H new ATOM 367 N LYS A 25 -6.440 16.770 -11.355 1.00 43.03 N ATOM 368 CA LYS A 25 -5.566 15.768 -10.757 1.00 35.44 C ATOM 369 C LYS A 25 -4.542 15.264 -11.768 1.00 41.44 C ATOM 370 O LYS A 25 -4.635 15.562 -12.959 1.00 5.23 O ATOM 371 CB LYS A 25 -6.392 14.594 -10.225 1.00 14.24 C ATOM 372 CG LYS A 25 -6.948 14.824 -8.830 1.00 4.23 C ATOM 373 CD LYS A 25 -8.136 15.771 -8.852 1.00 30.35 C ATOM 374 CE LYS A 25 -9.329 15.152 -9.564 1.00 23.51 C ATOM 375 NZ LYS A 25 -10.621 15.628 -8.999 1.00 13.25 N ATOM 0 H LYS A 25 -7.158 16.389 -11.971 1.00 43.03 H new ATOM 0 HA LYS A 25 -5.033 16.236 -9.929 1.00 35.44 H new ATOM 0 HB2 LYS A 25 -7.218 14.402 -10.909 1.00 14.24 H new ATOM 0 HB3 LYS A 25 -5.771 13.698 -10.216 1.00 14.24 H new ATOM 0 HG2 LYS A 25 -7.250 13.871 -8.396 1.00 4.23 H new ATOM 0 HG3 LYS A 25 -6.167 15.233 -8.189 1.00 4.23 H new ATOM 0 HD2 LYS A 25 -8.415 16.030 -7.831 1.00 30.35 H new ATOM 0 HD3 LYS A 25 -7.854 16.698 -9.351 1.00 30.35 H new ATOM 0 HE2 LYS A 25 -9.285 15.396 -10.625 1.00 23.51 H new ATOM 0 HE3 LYS A 25 -9.276 14.066 -9.484 1.00 23.51 H new ATOM 0 HZ1 LYS A 25 -11.409 15.183 -9.511 1.00 13.25 H new ATOM 0 HZ2 LYS A 25 -10.675 15.373 -7.992 1.00 13.25 H new ATOM 0 HZ3 LYS A 25 -10.683 16.661 -9.098 1.00 13.25 H new ATOM 389 N GLU A 26 -3.567 14.499 -11.287 1.00 12.54 N ATOM 390 CA GLU A 26 -2.526 13.955 -12.151 1.00 14.04 C ATOM 391 C GLU A 26 -3.118 12.986 -13.170 1.00 63.04 C ATOM 392 O GLU A 26 -2.483 12.661 -14.174 1.00 72.21 O ATOM 393 CB GLU A 26 -1.459 13.245 -11.315 1.00 61.04 C ATOM 394 CG GLU A 26 -2.017 12.159 -10.411 1.00 24.11 C ATOM 395 CD GLU A 26 -2.109 10.813 -11.104 1.00 3.23 C ATOM 396 OE1 GLU A 26 -1.226 10.511 -11.934 1.00 33.12 O ATOM 397 OE2 GLU A 26 -3.064 10.062 -10.815 1.00 1.11 O ATOM 0 H GLU A 26 -3.476 14.242 -10.304 1.00 12.54 H new ATOM 0 HA GLU A 26 -2.064 14.783 -12.688 1.00 14.04 H new ATOM 0 HB2 GLU A 26 -0.719 12.805 -11.984 1.00 61.04 H new ATOM 0 HB3 GLU A 26 -0.938 13.982 -10.704 1.00 61.04 H new ATOM 0 HG2 GLU A 26 -1.385 12.066 -9.528 1.00 24.11 H new ATOM 0 HG3 GLU A 26 -3.008 12.453 -10.064 1.00 24.11 H new ATOM 404 N ASP A 27 -4.336 12.528 -12.905 1.00 52.11 N ATOM 405 CA ASP A 27 -5.014 11.597 -13.799 1.00 34.41 C ATOM 406 C ASP A 27 -5.146 12.186 -15.200 1.00 14.23 C ATOM 407 O ASP A 27 -5.355 11.460 -16.171 1.00 44.42 O ATOM 408 CB ASP A 27 -6.397 11.243 -13.248 1.00 41.44 C ATOM 409 CG ASP A 27 -7.096 10.183 -14.077 1.00 13.35 C ATOM 410 OD1 ASP A 27 -7.706 10.541 -15.106 1.00 54.00 O ATOM 411 OD2 ASP A 27 -7.033 8.996 -13.696 1.00 23.04 O ATOM 0 H ASP A 27 -4.874 12.786 -12.078 1.00 52.11 H new ATOM 0 HA ASP A 27 -4.413 10.690 -13.862 1.00 34.41 H new ATOM 0 HB2 ASP A 27 -6.297 10.890 -12.222 1.00 41.44 H new ATOM 0 HB3 ASP A 27 -7.014 12.141 -13.217 1.00 41.44 H new ATOM 416 N GLU A 28 -5.025 13.507 -15.295 1.00 23.45 N ATOM 417 CA GLU A 28 -5.133 14.193 -16.577 1.00 24.14 C ATOM 418 C GLU A 28 -3.871 13.990 -17.410 1.00 63.23 C ATOM 419 O GLU A 28 -3.892 14.134 -18.633 1.00 12.10 O ATOM 420 CB GLU A 28 -5.380 15.687 -16.361 1.00 5.50 C ATOM 421 CG GLU A 28 -6.850 16.051 -16.244 1.00 73.31 C ATOM 422 CD GLU A 28 -7.182 17.365 -16.924 1.00 14.05 C ATOM 423 OE1 GLU A 28 -6.907 17.492 -18.135 1.00 5.20 O ATOM 424 OE2 GLU A 28 -7.717 18.266 -16.245 1.00 14.05 O ATOM 0 H GLU A 28 -4.852 14.122 -14.500 1.00 23.45 H new ATOM 0 HA GLU A 28 -5.978 13.767 -17.119 1.00 24.14 H new ATOM 0 HB2 GLU A 28 -4.863 16.005 -15.456 1.00 5.50 H new ATOM 0 HB3 GLU A 28 -4.942 16.243 -17.190 1.00 5.50 H new ATOM 0 HG2 GLU A 28 -7.453 15.256 -16.683 1.00 73.31 H new ATOM 0 HG3 GLU A 28 -7.122 16.113 -15.190 1.00 73.31 H new ATOM 431 N ILE A 29 -2.773 13.655 -16.740 1.00 35.11 N ATOM 432 CA ILE A 29 -1.503 13.432 -17.418 1.00 62.53 C ATOM 433 C ILE A 29 -1.663 12.453 -18.576 1.00 64.45 C ATOM 434 O ILE A 29 -1.756 11.242 -18.373 1.00 35.42 O ATOM 435 CB ILE A 29 -0.434 12.893 -16.449 1.00 33.51 C ATOM 436 CG1 ILE A 29 -0.104 13.941 -15.385 1.00 13.23 C ATOM 437 CG2 ILE A 29 0.819 12.492 -17.212 1.00 63.21 C ATOM 438 CD1 ILE A 29 0.570 15.176 -15.941 1.00 60.54 C ATOM 0 H ILE A 29 -2.738 13.532 -15.728 1.00 35.11 H new ATOM 0 HA ILE A 29 -1.178 14.398 -17.804 1.00 62.53 H new ATOM 0 HB ILE A 29 -0.830 12.009 -15.950 1.00 33.51 H new ATOM 0 HG12 ILE A 29 -1.024 14.235 -14.879 1.00 13.23 H new ATOM 0 HG13 ILE A 29 0.544 13.491 -14.632 1.00 13.23 H new ATOM 0 HG21 ILE A 29 1.565 12.113 -16.513 1.00 63.21 H new ATOM 0 HG22 ILE A 29 0.572 11.715 -17.935 1.00 63.21 H new ATOM 0 HG23 ILE A 29 1.220 13.360 -17.735 1.00 63.21 H new ATOM 0 HD11 ILE A 29 0.774 15.875 -15.130 1.00 60.54 H new ATOM 0 HD12 ILE A 29 1.507 14.894 -16.422 1.00 60.54 H new ATOM 0 HD13 ILE A 29 -0.085 15.650 -16.672 1.00 60.54 H new ATOM 450 N THR A 30 -1.691 12.985 -19.794 1.00 70.35 N ATOM 451 CA THR A 30 -1.838 12.159 -20.986 1.00 75.21 C ATOM 452 C THR A 30 -1.293 12.870 -22.219 1.00 54.32 C ATOM 453 O THR A 30 -0.989 14.063 -22.177 1.00 61.14 O ATOM 454 CB THR A 30 -3.313 11.786 -21.232 1.00 64.14 C ATOM 455 OG1 THR A 30 -3.410 10.875 -22.333 1.00 33.12 O ATOM 456 CG2 THR A 30 -4.144 13.027 -21.520 1.00 10.05 C ATOM 0 H THR A 30 -1.614 13.985 -19.981 1.00 70.35 H new ATOM 0 HA THR A 30 -1.264 11.249 -20.812 1.00 75.21 H new ATOM 0 HB THR A 30 -3.700 11.310 -20.331 1.00 64.14 H new ATOM 0 HG1 THR A 30 -4.350 10.641 -22.482 1.00 33.12 H new ATOM 0 HG21 THR A 30 -5.181 12.739 -21.690 1.00 10.05 H new ATOM 0 HG22 THR A 30 -4.091 13.706 -20.669 1.00 10.05 H new ATOM 0 HG23 THR A 30 -3.756 13.527 -22.407 1.00 10.05 H new ATOM 464 N THR A 31 -1.173 12.132 -23.318 1.00 64.30 N ATOM 465 CA THR A 31 -0.664 12.692 -24.563 1.00 44.14 C ATOM 466 C THR A 31 -1.752 13.456 -25.308 1.00 54.11 C ATOM 467 O THR A 31 -1.482 14.130 -26.303 1.00 31.44 O ATOM 468 CB THR A 31 -0.101 11.594 -25.485 1.00 71.42 C ATOM 469 OG1 THR A 31 0.334 12.168 -26.722 1.00 65.05 O ATOM 470 CG2 THR A 31 -1.150 10.526 -25.757 1.00 70.03 C ATOM 0 H THR A 31 -1.422 11.144 -23.371 1.00 64.30 H new ATOM 0 HA THR A 31 0.139 13.378 -24.295 1.00 44.14 H new ATOM 0 HB THR A 31 0.747 11.129 -24.983 1.00 71.42 H new ATOM 0 HG1 THR A 31 -0.068 13.055 -26.830 1.00 65.05 H new ATOM 0 HG21 THR A 31 -0.730 9.761 -26.410 1.00 70.03 H new ATOM 0 HG22 THR A 31 -1.458 10.070 -24.816 1.00 70.03 H new ATOM 0 HG23 THR A 31 -2.015 10.980 -26.240 1.00 70.03 H new ATOM 478 N ASP A 32 -2.983 13.348 -24.821 1.00 34.34 N ATOM 479 CA ASP A 32 -4.114 14.030 -25.440 1.00 3.55 C ATOM 480 C ASP A 32 -4.603 15.177 -24.561 1.00 15.14 C ATOM 481 O ASP A 32 -5.775 15.552 -24.608 1.00 0.01 O ATOM 482 CB ASP A 32 -5.255 13.044 -25.696 1.00 5.54 C ATOM 483 CG ASP A 32 -5.058 12.251 -26.972 1.00 55.15 C ATOM 484 OD1 ASP A 32 -4.880 12.877 -28.039 1.00 21.23 O ATOM 485 OD2 ASP A 32 -5.083 11.005 -26.906 1.00 23.55 O ATOM 0 H ASP A 32 -3.224 12.794 -23.999 1.00 34.34 H new ATOM 0 HA ASP A 32 -3.781 14.442 -26.393 1.00 3.55 H new ATOM 0 HB2 ASP A 32 -5.334 12.357 -24.853 1.00 5.54 H new ATOM 0 HB3 ASP A 32 -6.197 13.589 -25.752 1.00 5.54 H new ATOM 490 N SER A 33 -3.699 15.729 -23.758 1.00 42.35 N ATOM 491 CA SER A 33 -4.040 16.830 -22.865 1.00 2.01 C ATOM 492 C SER A 33 -3.260 18.089 -23.232 1.00 11.12 C ATOM 493 O SER A 33 -3.844 19.145 -23.477 1.00 32.32 O ATOM 494 CB SER A 33 -3.753 16.444 -21.413 1.00 24.33 C ATOM 495 OG SER A 33 -4.869 15.796 -20.827 1.00 3.21 O ATOM 0 H SER A 33 -2.725 15.432 -23.708 1.00 42.35 H new ATOM 0 HA SER A 33 -5.104 17.038 -22.975 1.00 2.01 H new ATOM 0 HB2 SER A 33 -2.885 15.786 -21.373 1.00 24.33 H new ATOM 0 HB3 SER A 33 -3.504 17.336 -20.839 1.00 24.33 H new ATOM 0 HG SER A 33 -4.807 15.857 -19.851 1.00 3.21 H new ATOM 501 N ARG A 34 -1.937 17.969 -23.267 1.00 71.23 N ATOM 502 CA ARG A 34 -1.076 19.096 -23.603 1.00 11.52 C ATOM 503 C ARG A 34 -1.275 20.245 -22.618 1.00 34.43 C ATOM 504 O ARG A 34 -2.079 20.148 -21.690 1.00 23.13 O ATOM 505 CB ARG A 34 -1.361 19.577 -25.027 1.00 11.10 C ATOM 506 CG ARG A 34 -0.588 18.817 -26.092 1.00 42.33 C ATOM 507 CD ARG A 34 -0.716 19.482 -27.454 1.00 74.42 C ATOM 508 NE ARG A 34 0.440 20.317 -27.767 1.00 52.21 N ATOM 509 CZ ARG A 34 0.615 20.921 -28.937 1.00 52.40 C ATOM 510 NH1 ARG A 34 -0.287 20.784 -29.899 1.00 62.24 N ATOM 511 NH2 ARG A 34 1.693 21.666 -29.146 1.00 23.40 N ATOM 0 H ARG A 34 -1.438 17.102 -23.067 1.00 71.23 H new ATOM 0 HA ARG A 34 -0.041 18.761 -23.540 1.00 11.52 H new ATOM 0 HB2 ARG A 34 -2.428 19.482 -25.227 1.00 11.10 H new ATOM 0 HB3 ARG A 34 -1.117 20.637 -25.099 1.00 11.10 H new ATOM 0 HG2 ARG A 34 0.463 18.762 -25.810 1.00 42.33 H new ATOM 0 HG3 ARG A 34 -0.957 17.793 -26.150 1.00 42.33 H new ATOM 0 HD2 ARG A 34 -0.829 18.717 -28.222 1.00 74.42 H new ATOM 0 HD3 ARG A 34 -1.620 20.091 -27.476 1.00 74.42 H new ATOM 0 HE ARG A 34 1.152 20.443 -27.048 1.00 52.21 H new ATOM 0 HH11 ARG A 34 -1.118 20.214 -29.742 1.00 62.24 H new ATOM 0 HH12 ARG A 34 -0.150 21.249 -30.796 1.00 62.24 H new ATOM 0 HH21 ARG A 34 2.388 21.775 -28.408 1.00 23.40 H new ATOM 0 HH22 ARG A 34 1.826 22.129 -30.045 1.00 23.40 H new ATOM 525 N PHE A 35 -0.538 21.331 -22.826 1.00 33.43 N ATOM 526 CA PHE A 35 -0.633 22.497 -21.955 1.00 63.24 C ATOM 527 C PHE A 35 -2.014 23.137 -22.052 1.00 35.13 C ATOM 528 O PHE A 35 -2.514 23.712 -21.084 1.00 63.41 O ATOM 529 CB PHE A 35 0.443 23.521 -22.322 1.00 0.42 C ATOM 530 CG PHE A 35 1.844 23.005 -22.156 1.00 12.45 C ATOM 531 CD1 PHE A 35 2.251 22.442 -20.957 1.00 11.12 C ATOM 532 CD2 PHE A 35 2.753 23.083 -23.198 1.00 2.11 C ATOM 533 CE1 PHE A 35 3.539 21.967 -20.801 1.00 45.30 C ATOM 534 CE2 PHE A 35 4.043 22.610 -23.048 1.00 61.41 C ATOM 535 CZ PHE A 35 4.436 22.050 -21.848 1.00 63.03 C ATOM 0 H PHE A 35 0.131 21.428 -23.590 1.00 33.43 H new ATOM 0 HA PHE A 35 -0.477 22.167 -20.928 1.00 63.24 H new ATOM 0 HB2 PHE A 35 0.299 23.832 -23.357 1.00 0.42 H new ATOM 0 HB3 PHE A 35 0.315 24.408 -21.702 1.00 0.42 H new ATOM 0 HD1 PHE A 35 1.554 22.374 -20.135 1.00 11.12 H new ATOM 0 HD2 PHE A 35 2.450 23.519 -24.139 1.00 2.11 H new ATOM 0 HE1 PHE A 35 3.844 21.531 -19.861 1.00 45.30 H new ATOM 0 HE2 PHE A 35 4.743 22.678 -23.868 1.00 61.41 H new ATOM 0 HZ PHE A 35 5.443 21.678 -21.729 1.00 63.03 H new ATOM 545 N VAL A 36 -2.627 23.034 -23.227 1.00 34.33 N ATOM 546 CA VAL A 36 -3.952 23.601 -23.451 1.00 5.42 C ATOM 547 C VAL A 36 -4.971 23.020 -22.477 1.00 44.21 C ATOM 548 O VAL A 36 -5.716 23.756 -21.832 1.00 11.23 O ATOM 549 CB VAL A 36 -4.433 23.350 -24.892 1.00 34.01 C ATOM 550 CG1 VAL A 36 -3.660 24.218 -25.873 1.00 23.41 C ATOM 551 CG2 VAL A 36 -4.299 21.877 -25.249 1.00 10.41 C ATOM 0 H VAL A 36 -2.227 22.563 -24.039 1.00 34.33 H new ATOM 0 HA VAL A 36 -3.869 24.675 -23.286 1.00 5.42 H new ATOM 0 HB VAL A 36 -5.487 23.622 -24.957 1.00 34.01 H new ATOM 0 HG11 VAL A 36 -4.014 24.026 -26.886 1.00 23.41 H new ATOM 0 HG12 VAL A 36 -3.813 25.269 -25.628 1.00 23.41 H new ATOM 0 HG13 VAL A 36 -2.598 23.982 -25.809 1.00 23.41 H new ATOM 0 HG21 VAL A 36 -4.643 21.717 -26.271 1.00 10.41 H new ATOM 0 HG22 VAL A 36 -3.255 21.576 -25.167 1.00 10.41 H new ATOM 0 HG23 VAL A 36 -4.903 21.281 -24.565 1.00 10.41 H new ATOM 561 N GLU A 37 -4.996 21.695 -22.377 1.00 30.13 N ATOM 562 CA GLU A 37 -5.925 21.015 -21.481 1.00 44.02 C ATOM 563 C GLU A 37 -5.366 20.954 -20.062 1.00 52.43 C ATOM 564 O GLU A 37 -5.998 21.423 -19.115 1.00 24.42 O ATOM 565 CB GLU A 37 -6.214 19.601 -21.988 1.00 64.42 C ATOM 566 CG GLU A 37 -7.565 19.062 -21.551 1.00 73.30 C ATOM 567 CD GLU A 37 -7.994 17.845 -22.348 1.00 24.42 C ATOM 568 OE1 GLU A 37 -8.143 17.965 -23.582 1.00 23.14 O ATOM 569 OE2 GLU A 37 -8.179 16.771 -21.737 1.00 13.45 O ATOM 0 H GLU A 37 -4.385 21.071 -22.904 1.00 30.13 H new ATOM 0 HA GLU A 37 -6.855 21.584 -21.463 1.00 44.02 H new ATOM 0 HB2 GLU A 37 -6.166 19.598 -23.077 1.00 64.42 H new ATOM 0 HB3 GLU A 37 -5.432 18.930 -21.632 1.00 64.42 H new ATOM 0 HG2 GLU A 37 -7.523 18.803 -20.493 1.00 73.30 H new ATOM 0 HG3 GLU A 37 -8.316 19.845 -21.658 1.00 73.30 H new ATOM 576 N ASP A 38 -4.179 20.374 -19.924 1.00 73.05 N ATOM 577 CA ASP A 38 -3.535 20.252 -18.622 1.00 64.21 C ATOM 578 C ASP A 38 -3.329 21.623 -17.987 1.00 1.32 C ATOM 579 O ASP A 38 -3.908 21.929 -16.943 1.00 40.25 O ATOM 580 CB ASP A 38 -2.191 19.533 -18.760 1.00 15.14 C ATOM 581 CG ASP A 38 -1.541 19.259 -17.418 1.00 14.23 C ATOM 582 OD1 ASP A 38 -1.295 20.228 -16.669 1.00 32.25 O ATOM 583 OD2 ASP A 38 -1.280 18.076 -17.116 1.00 43.11 O ATOM 0 H ASP A 38 -3.643 19.981 -20.698 1.00 73.05 H new ATOM 0 HA ASP A 38 -4.188 19.666 -17.975 1.00 64.21 H new ATOM 0 HB2 ASP A 38 -2.339 18.591 -19.288 1.00 15.14 H new ATOM 0 HB3 ASP A 38 -1.519 20.138 -19.369 1.00 15.14 H new ATOM 588 N LEU A 39 -2.500 22.445 -18.621 1.00 55.33 N ATOM 589 CA LEU A 39 -2.217 23.785 -18.118 1.00 30.22 C ATOM 590 C LEU A 39 -3.312 24.764 -18.529 1.00 44.25 C ATOM 591 O LEU A 39 -4.234 24.408 -19.261 1.00 61.43 O ATOM 592 CB LEU A 39 -0.862 24.270 -18.636 1.00 21.41 C ATOM 593 CG LEU A 39 0.338 24.007 -17.725 1.00 11.31 C ATOM 594 CD1 LEU A 39 1.634 24.371 -18.432 1.00 4.24 C ATOM 595 CD2 LEU A 39 0.200 24.786 -16.425 1.00 24.45 C ATOM 0 H LEU A 39 -2.012 22.207 -19.484 1.00 55.33 H new ATOM 0 HA LEU A 39 -2.187 23.739 -17.029 1.00 30.22 H new ATOM 0 HB2 LEU A 39 -0.673 23.796 -19.599 1.00 21.41 H new ATOM 0 HB3 LEU A 39 -0.927 25.343 -18.817 1.00 21.41 H new ATOM 0 HG LEU A 39 0.364 22.944 -17.487 1.00 11.31 H new ATOM 0 HD11 LEU A 39 2.477 24.177 -17.769 1.00 4.24 H new ATOM 0 HD12 LEU A 39 1.737 23.769 -19.335 1.00 4.24 H new ATOM 0 HD13 LEU A 39 1.618 25.428 -18.700 1.00 4.24 H new ATOM 0 HD21 LEU A 39 1.062 24.587 -15.789 1.00 24.45 H new ATOM 0 HD22 LEU A 39 0.148 25.853 -16.644 1.00 24.45 H new ATOM 0 HD23 LEU A 39 -0.710 24.477 -15.910 1.00 24.45 H new ATOM 607 N ASN A 40 -3.201 26.001 -18.055 1.00 62.14 N ATOM 608 CA ASN A 40 -4.180 27.033 -18.376 1.00 34.24 C ATOM 609 C ASN A 40 -3.579 28.085 -19.302 1.00 42.20 C ATOM 610 O ASN A 40 -3.766 29.285 -19.100 1.00 74.52 O ATOM 611 CB ASN A 40 -4.690 27.696 -17.095 1.00 13.33 C ATOM 612 CG ASN A 40 -5.878 28.605 -17.347 1.00 71.35 C ATOM 613 OD1 ASN A 40 -6.725 28.317 -18.194 1.00 23.03 O ATOM 614 ND2 ASN A 40 -5.945 29.709 -16.613 1.00 34.45 N ATOM 0 H ASN A 40 -2.443 26.313 -17.448 1.00 62.14 H new ATOM 0 HA ASN A 40 -5.016 26.559 -18.890 1.00 34.24 H new ATOM 0 HB2 ASN A 40 -4.972 26.925 -16.378 1.00 13.33 H new ATOM 0 HB3 ASN A 40 -3.884 28.273 -16.642 1.00 13.33 H new ATOM 0 HD21 ASN A 40 -6.721 30.359 -16.739 1.00 34.45 H new ATOM 0 HD22 ASN A 40 -5.221 29.907 -15.923 1.00 34.45 H new ATOM 621 N ALA A 41 -2.856 27.627 -20.318 1.00 64.15 N ATOM 622 CA ALA A 41 -2.229 28.528 -21.278 1.00 22.14 C ATOM 623 C ALA A 41 -1.805 27.780 -22.537 1.00 43.31 C ATOM 624 O ALA A 41 -2.001 26.570 -22.648 1.00 55.00 O ATOM 625 CB ALA A 41 -1.032 29.222 -20.645 1.00 43.11 C ATOM 0 H ALA A 41 -2.690 26.637 -20.498 1.00 64.15 H new ATOM 0 HA ALA A 41 -2.962 29.282 -21.565 1.00 22.14 H new ATOM 0 HB1 ALA A 41 -0.573 29.892 -21.372 1.00 43.11 H new ATOM 0 HB2 ALA A 41 -1.361 29.797 -19.779 1.00 43.11 H new ATOM 0 HB3 ALA A 41 -0.303 28.475 -20.329 1.00 43.11 H new ATOM 631 N ASP A 42 -1.223 28.508 -23.484 1.00 2.23 N ATOM 632 CA ASP A 42 -0.770 27.913 -24.736 1.00 54.40 C ATOM 633 C ASP A 42 0.749 27.783 -24.758 1.00 24.02 C ATOM 634 O ASP A 42 1.450 28.441 -23.989 1.00 11.21 O ATOM 635 CB ASP A 42 -1.240 28.755 -25.924 1.00 25.11 C ATOM 636 CG ASP A 42 -1.005 30.238 -25.712 1.00 24.52 C ATOM 637 OD1 ASP A 42 -0.111 30.588 -24.913 1.00 72.11 O ATOM 638 OD2 ASP A 42 -1.715 31.048 -26.344 1.00 22.41 O ATOM 0 H ASP A 42 -1.054 29.511 -23.408 1.00 2.23 H new ATOM 0 HA ASP A 42 -1.202 26.915 -24.813 1.00 54.40 H new ATOM 0 HB2 ASP A 42 -0.717 28.432 -26.824 1.00 25.11 H new ATOM 0 HB3 ASP A 42 -2.302 28.579 -26.093 1.00 25.11 H new ATOM 643 N SER A 43 1.252 26.929 -25.643 1.00 63.42 N ATOM 644 CA SER A 43 2.689 26.708 -25.762 1.00 31.12 C ATOM 645 C SER A 43 3.432 28.032 -25.908 1.00 13.54 C ATOM 646 O SER A 43 4.609 28.139 -25.562 1.00 22.22 O ATOM 647 CB SER A 43 2.990 25.806 -26.960 1.00 45.45 C ATOM 648 OG SER A 43 2.608 24.467 -26.700 1.00 64.11 O ATOM 0 H SER A 43 0.686 26.378 -26.289 1.00 63.42 H new ATOM 0 HA SER A 43 3.033 26.217 -24.852 1.00 31.12 H new ATOM 0 HB2 SER A 43 2.460 26.174 -27.838 1.00 45.45 H new ATOM 0 HB3 SER A 43 4.055 25.845 -27.190 1.00 45.45 H new ATOM 0 HG SER A 43 2.809 23.912 -27.482 1.00 64.11 H new ATOM 654 N LEU A 44 2.736 29.040 -26.422 1.00 14.21 N ATOM 655 CA LEU A 44 3.328 30.360 -26.614 1.00 73.43 C ATOM 656 C LEU A 44 3.997 30.848 -25.334 1.00 23.02 C ATOM 657 O LEU A 44 5.153 31.272 -25.349 1.00 11.14 O ATOM 658 CB LEU A 44 2.259 31.360 -27.058 1.00 41.02 C ATOM 659 CG LEU A 44 1.353 30.910 -28.205 1.00 31.35 C ATOM 660 CD1 LEU A 44 0.424 32.038 -28.626 1.00 5.11 C ATOM 661 CD2 LEU A 44 2.185 30.432 -29.386 1.00 33.22 C ATOM 0 H LEU A 44 1.761 28.969 -26.713 1.00 14.21 H new ATOM 0 HA LEU A 44 4.088 30.281 -27.391 1.00 73.43 H new ATOM 0 HB2 LEU A 44 1.632 31.597 -26.198 1.00 41.02 H new ATOM 0 HB3 LEU A 44 2.755 32.284 -27.355 1.00 41.02 H new ATOM 0 HG LEU A 44 0.743 30.077 -27.855 1.00 31.35 H new ATOM 0 HD11 LEU A 44 -0.213 31.699 -29.443 1.00 5.11 H new ATOM 0 HD12 LEU A 44 -0.197 32.333 -27.780 1.00 5.11 H new ATOM 0 HD13 LEU A 44 1.015 32.892 -28.957 1.00 5.11 H new ATOM 0 HD21 LEU A 44 1.524 30.116 -30.193 1.00 33.22 H new ATOM 0 HD22 LEU A 44 2.821 31.245 -29.736 1.00 33.22 H new ATOM 0 HD23 LEU A 44 2.807 29.592 -29.077 1.00 33.22 H new ATOM 673 N ASP A 45 3.265 30.783 -24.228 1.00 14.34 N ATOM 674 CA ASP A 45 3.788 31.216 -22.937 1.00 63.22 C ATOM 675 C ASP A 45 4.685 30.143 -22.328 1.00 23.04 C ATOM 676 O ASP A 45 5.670 30.452 -21.655 1.00 75.21 O ATOM 677 CB ASP A 45 2.641 31.543 -21.980 1.00 74.45 C ATOM 678 CG ASP A 45 3.093 31.611 -20.535 1.00 63.02 C ATOM 679 OD1 ASP A 45 3.215 30.542 -19.901 1.00 11.41 O ATOM 680 OD2 ASP A 45 3.325 32.733 -20.038 1.00 42.22 O ATOM 0 H ASP A 45 2.307 30.434 -24.199 1.00 14.34 H new ATOM 0 HA ASP A 45 4.383 32.115 -23.097 1.00 63.22 H new ATOM 0 HB2 ASP A 45 2.196 32.497 -22.264 1.00 74.45 H new ATOM 0 HB3 ASP A 45 1.863 30.786 -22.079 1.00 74.45 H new ATOM 685 N ILE A 46 4.338 28.883 -22.566 1.00 60.14 N ATOM 686 CA ILE A 46 5.112 27.765 -22.041 1.00 12.01 C ATOM 687 C ILE A 46 6.537 27.781 -22.582 1.00 24.30 C ATOM 688 O ILE A 46 7.460 27.274 -21.944 1.00 4.24 O ATOM 689 CB ILE A 46 4.458 26.415 -22.388 1.00 74.24 C ATOM 690 CG1 ILE A 46 2.997 26.399 -21.933 1.00 71.21 C ATOM 691 CG2 ILE A 46 5.230 25.271 -21.748 1.00 3.43 C ATOM 692 CD1 ILE A 46 2.829 26.541 -20.437 1.00 31.55 C ATOM 0 H ILE A 46 3.526 28.611 -23.119 1.00 60.14 H new ATOM 0 HA ILE A 46 5.136 27.879 -20.957 1.00 12.01 H new ATOM 0 HB ILE A 46 4.484 26.284 -23.470 1.00 74.24 H new ATOM 0 HG12 ILE A 46 2.461 27.208 -22.429 1.00 71.21 H new ATOM 0 HG13 ILE A 46 2.535 25.466 -22.256 1.00 71.21 H new ATOM 0 HG21 ILE A 46 4.755 24.324 -22.003 1.00 3.43 H new ATOM 0 HG22 ILE A 46 6.256 25.273 -22.117 1.00 3.43 H new ATOM 0 HG23 ILE A 46 5.233 25.395 -20.665 1.00 3.43 H new ATOM 0 HD11 ILE A 46 1.768 26.521 -20.186 1.00 31.55 H new ATOM 0 HD12 ILE A 46 3.336 25.717 -19.934 1.00 31.55 H new ATOM 0 HD13 ILE A 46 3.262 27.487 -20.110 1.00 31.55 H new ATOM 704 N TYR A 47 6.710 28.367 -23.761 1.00 61.45 N ATOM 705 CA TYR A 47 8.023 28.448 -24.389 1.00 44.24 C ATOM 706 C TYR A 47 9.069 28.958 -23.402 1.00 54.51 C ATOM 707 O TYR A 47 10.179 28.432 -23.330 1.00 55.20 O ATOM 708 CB TYR A 47 7.971 29.365 -25.613 1.00 30.12 C ATOM 709 CG TYR A 47 9.332 29.690 -26.185 1.00 4.14 C ATOM 710 CD1 TYR A 47 10.067 30.769 -25.710 1.00 44.31 C ATOM 711 CD2 TYR A 47 9.884 28.917 -27.199 1.00 40.10 C ATOM 712 CE1 TYR A 47 11.311 31.070 -26.230 1.00 42.43 C ATOM 713 CE2 TYR A 47 11.128 29.210 -27.724 1.00 72.12 C ATOM 714 CZ TYR A 47 11.837 30.288 -27.237 1.00 22.21 C ATOM 715 OH TYR A 47 13.077 30.584 -27.757 1.00 34.53 O ATOM 0 H TYR A 47 5.957 28.793 -24.301 1.00 61.45 H new ATOM 0 HA TYR A 47 8.308 27.445 -24.706 1.00 44.24 H new ATOM 0 HB2 TYR A 47 7.365 28.891 -26.386 1.00 30.12 H new ATOM 0 HB3 TYR A 47 7.470 30.294 -25.340 1.00 30.12 H new ATOM 0 HD1 TYR A 47 9.659 31.383 -24.921 1.00 44.31 H new ATOM 0 HD2 TYR A 47 9.331 28.073 -27.583 1.00 40.10 H new ATOM 0 HE1 TYR A 47 11.869 31.913 -25.850 1.00 42.43 H new ATOM 0 HE2 TYR A 47 11.543 28.598 -28.511 1.00 72.12 H new ATOM 0 HH TYR A 47 13.301 29.936 -28.457 1.00 34.53 H new ATOM 725 N GLU A 48 8.704 29.987 -22.643 1.00 34.11 N ATOM 726 CA GLU A 48 9.609 30.569 -21.659 1.00 64.05 C ATOM 727 C GLU A 48 9.776 29.643 -20.458 1.00 63.23 C ATOM 728 O GLU A 48 10.857 29.554 -19.873 1.00 52.34 O ATOM 729 CB GLU A 48 9.089 31.932 -21.198 1.00 63.01 C ATOM 730 CG GLU A 48 9.265 33.032 -22.231 1.00 44.21 C ATOM 731 CD GLU A 48 7.966 33.395 -22.924 1.00 3.31 C ATOM 732 OE1 GLU A 48 7.041 32.557 -22.925 1.00 34.15 O ATOM 733 OE2 GLU A 48 7.875 34.517 -23.465 1.00 63.22 O ATOM 0 H GLU A 48 7.789 30.434 -22.691 1.00 34.11 H new ATOM 0 HA GLU A 48 10.582 30.701 -22.132 1.00 64.05 H new ATOM 0 HB2 GLU A 48 8.031 31.843 -20.951 1.00 63.01 H new ATOM 0 HB3 GLU A 48 9.607 32.218 -20.283 1.00 63.01 H new ATOM 0 HG2 GLU A 48 9.674 33.919 -21.746 1.00 44.21 H new ATOM 0 HG3 GLU A 48 9.993 32.712 -22.976 1.00 44.21 H new ATOM 740 N LEU A 49 8.699 28.955 -20.095 1.00 65.23 N ATOM 741 CA LEU A 49 8.725 28.035 -18.963 1.00 71.13 C ATOM 742 C LEU A 49 9.796 26.966 -19.154 1.00 73.45 C ATOM 743 O LEU A 49 10.722 26.849 -18.351 1.00 45.15 O ATOM 744 CB LEU A 49 7.356 27.376 -18.785 1.00 70.04 C ATOM 745 CG LEU A 49 6.936 27.080 -17.345 1.00 75.14 C ATOM 746 CD1 LEU A 49 7.915 26.118 -16.691 1.00 34.14 C ATOM 747 CD2 LEU A 49 6.835 28.369 -16.543 1.00 53.25 C ATOM 0 H LEU A 49 7.797 29.017 -20.568 1.00 65.23 H new ATOM 0 HA LEU A 49 8.965 28.607 -18.067 1.00 71.13 H new ATOM 0 HB2 LEU A 49 6.603 28.022 -19.237 1.00 70.04 H new ATOM 0 HB3 LEU A 49 7.350 26.440 -19.344 1.00 70.04 H new ATOM 0 HG LEU A 49 5.953 26.609 -17.363 1.00 75.14 H new ATOM 0 HD11 LEU A 49 7.600 25.919 -15.667 1.00 34.14 H new ATOM 0 HD12 LEU A 49 7.937 25.184 -17.252 1.00 34.14 H new ATOM 0 HD13 LEU A 49 8.911 26.561 -16.685 1.00 34.14 H new ATOM 0 HD21 LEU A 49 6.535 28.139 -15.521 1.00 53.25 H new ATOM 0 HD22 LEU A 49 7.804 28.868 -16.533 1.00 53.25 H new ATOM 0 HD23 LEU A 49 6.094 29.025 -17.000 1.00 53.25 H new ATOM 759 N LEU A 50 9.664 26.188 -20.224 1.00 13.25 N ATOM 760 CA LEU A 50 10.621 25.129 -20.522 1.00 44.14 C ATOM 761 C LEU A 50 11.999 25.710 -20.822 1.00 65.04 C ATOM 762 O LEU A 50 13.021 25.142 -20.435 1.00 43.43 O ATOM 763 CB LEU A 50 10.137 24.296 -21.711 1.00 14.55 C ATOM 764 CG LEU A 50 9.561 25.081 -22.890 1.00 15.34 C ATOM 765 CD1 LEU A 50 10.371 24.823 -24.150 1.00 63.10 C ATOM 766 CD2 LEU A 50 8.099 24.718 -23.109 1.00 63.34 C ATOM 0 H LEU A 50 8.904 26.271 -20.899 1.00 13.25 H new ATOM 0 HA LEU A 50 10.700 24.487 -19.645 1.00 44.14 H new ATOM 0 HB2 LEU A 50 10.972 23.696 -22.073 1.00 14.55 H new ATOM 0 HB3 LEU A 50 9.376 23.601 -21.356 1.00 14.55 H new ATOM 0 HG LEU A 50 9.620 26.144 -22.657 1.00 15.34 H new ATOM 0 HD11 LEU A 50 9.946 25.390 -24.978 1.00 63.10 H new ATOM 0 HD12 LEU A 50 11.403 25.134 -23.989 1.00 63.10 H new ATOM 0 HD13 LEU A 50 10.345 23.760 -24.388 1.00 63.10 H new ATOM 0 HD21 LEU A 50 7.705 25.286 -23.952 1.00 63.34 H new ATOM 0 HD22 LEU A 50 8.016 23.652 -23.320 1.00 63.34 H new ATOM 0 HD23 LEU A 50 7.527 24.956 -22.212 1.00 63.34 H new ATOM 778 N TYR A 51 12.020 26.845 -21.512 1.00 71.13 N ATOM 779 CA TYR A 51 13.272 27.503 -21.864 1.00 65.14 C ATOM 780 C TYR A 51 14.020 27.957 -20.614 1.00 72.50 C ATOM 781 O TYR A 51 15.251 27.977 -20.585 1.00 41.22 O ATOM 782 CB TYR A 51 13.004 28.702 -22.775 1.00 44.31 C ATOM 783 CG TYR A 51 14.175 29.654 -22.884 1.00 34.43 C ATOM 784 CD1 TYR A 51 15.446 29.189 -23.199 1.00 33.00 C ATOM 785 CD2 TYR A 51 14.010 31.016 -22.670 1.00 53.53 C ATOM 786 CE1 TYR A 51 16.518 30.054 -23.299 1.00 0.23 C ATOM 787 CE2 TYR A 51 15.076 31.889 -22.769 1.00 51.13 C ATOM 788 CZ TYR A 51 16.328 31.403 -23.083 1.00 40.35 C ATOM 789 OH TYR A 51 17.393 32.269 -23.182 1.00 10.24 O ATOM 0 H TYR A 51 11.183 27.328 -21.839 1.00 71.13 H new ATOM 0 HA TYR A 51 13.894 26.783 -22.396 1.00 65.14 H new ATOM 0 HB2 TYR A 51 12.746 28.341 -23.771 1.00 44.31 H new ATOM 0 HB3 TYR A 51 12.138 29.246 -22.399 1.00 44.31 H new ATOM 0 HD1 TYR A 51 15.598 28.133 -23.368 1.00 33.00 H new ATOM 0 HD2 TYR A 51 13.031 31.399 -22.422 1.00 53.53 H new ATOM 0 HE1 TYR A 51 17.499 29.676 -23.545 1.00 0.23 H new ATOM 0 HE2 TYR A 51 14.930 32.946 -22.602 1.00 51.13 H new ATOM 0 HH TYR A 51 17.089 33.183 -23.002 1.00 10.24 H new ATOM 799 N LEU A 52 13.266 28.319 -19.582 1.00 25.03 N ATOM 800 CA LEU A 52 13.856 28.772 -18.326 1.00 54.14 C ATOM 801 C LEU A 52 14.447 27.601 -17.548 1.00 43.05 C ATOM 802 O LEU A 52 15.639 27.588 -17.237 1.00 31.54 O ATOM 803 CB LEU A 52 12.804 29.486 -17.475 1.00 21.52 C ATOM 804 CG LEU A 52 12.859 31.014 -17.481 1.00 62.42 C ATOM 805 CD1 LEU A 52 12.710 31.547 -18.897 1.00 41.25 C ATOM 806 CD2 LEU A 52 11.780 31.590 -16.576 1.00 5.02 C ATOM 0 H LEU A 52 12.246 28.308 -19.589 1.00 25.03 H new ATOM 0 HA LEU A 52 14.660 29.470 -18.561 1.00 54.14 H new ATOM 0 HB2 LEU A 52 11.817 29.177 -17.819 1.00 21.52 H new ATOM 0 HB3 LEU A 52 12.905 29.143 -16.445 1.00 21.52 H new ATOM 0 HG LEU A 52 13.831 31.325 -17.098 1.00 62.42 H new ATOM 0 HD11 LEU A 52 12.751 32.636 -18.882 1.00 41.25 H new ATOM 0 HD12 LEU A 52 13.519 31.162 -19.518 1.00 41.25 H new ATOM 0 HD13 LEU A 52 11.753 31.226 -19.308 1.00 41.25 H new ATOM 0 HD21 LEU A 52 11.834 32.679 -16.593 1.00 5.02 H new ATOM 0 HD22 LEU A 52 10.800 31.270 -16.929 1.00 5.02 H new ATOM 0 HD23 LEU A 52 11.932 31.235 -15.557 1.00 5.02 H new ATOM 818 N LEU A 53 13.608 26.619 -17.240 1.00 22.43 N ATOM 819 CA LEU A 53 14.048 25.441 -16.500 1.00 63.30 C ATOM 820 C LEU A 53 15.189 24.736 -17.227 1.00 71.21 C ATOM 821 O LEU A 53 16.224 24.435 -16.633 1.00 74.20 O ATOM 822 CB LEU A 53 12.880 24.473 -16.301 1.00 1.30 C ATOM 823 CG LEU A 53 12.008 24.213 -17.529 1.00 72.44 C ATOM 824 CD1 LEU A 53 12.438 22.932 -18.227 1.00 72.34 C ATOM 825 CD2 LEU A 53 10.540 24.140 -17.135 1.00 53.44 C ATOM 0 H LEU A 53 12.619 26.615 -17.491 1.00 22.43 H new ATOM 0 HA LEU A 53 14.410 25.769 -15.526 1.00 63.30 H new ATOM 0 HB2 LEU A 53 13.279 23.520 -15.955 1.00 1.30 H new ATOM 0 HB3 LEU A 53 12.245 24.860 -15.504 1.00 1.30 H new ATOM 0 HG LEU A 53 12.136 25.043 -18.224 1.00 72.44 H new ATOM 0 HD11 LEU A 53 11.806 22.763 -19.099 1.00 72.34 H new ATOM 0 HD12 LEU A 53 13.477 23.021 -18.544 1.00 72.34 H new ATOM 0 HD13 LEU A 53 12.339 22.092 -17.539 1.00 72.34 H new ATOM 0 HD21 LEU A 53 9.934 23.954 -18.022 1.00 53.44 H new ATOM 0 HD22 LEU A 53 10.395 23.330 -16.420 1.00 53.44 H new ATOM 0 HD23 LEU A 53 10.238 25.083 -16.680 1.00 53.44 H new ATOM 837 N GLU A 54 14.992 24.478 -18.516 1.00 63.13 N ATOM 838 CA GLU A 54 16.006 23.810 -19.324 1.00 71.32 C ATOM 839 C GLU A 54 17.346 24.533 -19.224 1.00 13.33 C ATOM 840 O GLU A 54 18.405 23.914 -19.315 1.00 71.12 O ATOM 841 CB GLU A 54 15.560 23.740 -20.786 1.00 70.32 C ATOM 842 CG GLU A 54 15.778 25.034 -21.552 1.00 24.22 C ATOM 843 CD GLU A 54 15.559 24.873 -23.044 1.00 10.34 C ATOM 844 OE1 GLU A 54 14.388 24.896 -23.477 1.00 64.45 O ATOM 845 OE2 GLU A 54 16.559 24.725 -23.777 1.00 51.51 O ATOM 0 H GLU A 54 14.141 24.721 -19.023 1.00 63.13 H new ATOM 0 HA GLU A 54 16.130 22.797 -18.940 1.00 71.32 H new ATOM 0 HB2 GLU A 54 16.103 22.937 -21.284 1.00 70.32 H new ATOM 0 HB3 GLU A 54 14.502 23.480 -20.822 1.00 70.32 H new ATOM 0 HG2 GLU A 54 15.100 25.797 -21.169 1.00 24.22 H new ATOM 0 HG3 GLU A 54 16.792 25.391 -21.374 1.00 24.22 H new ATOM 852 N GLU A 55 17.289 25.848 -19.036 1.00 11.14 N ATOM 853 CA GLU A 55 18.498 26.656 -18.924 1.00 73.03 C ATOM 854 C GLU A 55 19.226 26.367 -17.615 1.00 4.40 C ATOM 855 O GLU A 55 20.454 26.422 -17.551 1.00 21.43 O ATOM 856 CB GLU A 55 18.153 28.144 -19.012 1.00 10.25 C ATOM 857 CG GLU A 55 19.372 29.048 -19.091 1.00 30.24 C ATOM 858 CD GLU A 55 19.085 30.354 -19.805 1.00 73.13 C ATOM 859 OE1 GLU A 55 17.925 30.814 -19.756 1.00 35.31 O ATOM 860 OE2 GLU A 55 20.019 30.916 -20.414 1.00 20.12 O ATOM 0 H GLU A 55 16.420 26.376 -18.958 1.00 11.14 H new ATOM 0 HA GLU A 55 19.158 26.394 -19.751 1.00 73.03 H new ATOM 0 HB2 GLU A 55 17.529 28.312 -19.890 1.00 10.25 H new ATOM 0 HB3 GLU A 55 17.560 28.423 -18.141 1.00 10.25 H new ATOM 0 HG2 GLU A 55 19.728 29.260 -18.083 1.00 30.24 H new ATOM 0 HG3 GLU A 55 20.175 28.524 -19.609 1.00 30.24 H new ATOM 867 N ALA A 56 18.460 26.061 -16.573 1.00 41.23 N ATOM 868 CA ALA A 56 19.032 25.763 -15.266 1.00 74.40 C ATOM 869 C ALA A 56 19.665 24.376 -15.248 1.00 21.44 C ATOM 870 O ALA A 56 20.506 24.077 -14.399 1.00 15.32 O ATOM 871 CB ALA A 56 17.965 25.872 -14.186 1.00 42.33 C ATOM 0 H ALA A 56 17.442 26.013 -16.609 1.00 41.23 H new ATOM 0 HA ALA A 56 19.815 26.494 -15.064 1.00 74.40 H new ATOM 0 HB1 ALA A 56 18.406 25.647 -13.215 1.00 42.33 H new ATOM 0 HB2 ALA A 56 17.560 26.884 -14.175 1.00 42.33 H new ATOM 0 HB3 ALA A 56 17.163 25.163 -14.394 1.00 42.33 H new ATOM 877 N PHE A 57 19.256 23.531 -16.189 1.00 23.04 N ATOM 878 CA PHE A 57 19.783 22.174 -16.279 1.00 50.22 C ATOM 879 C PHE A 57 20.813 22.064 -17.400 1.00 11.34 C ATOM 880 O PHE A 57 21.344 20.986 -17.666 1.00 34.20 O ATOM 881 CB PHE A 57 18.646 21.178 -16.517 1.00 22.15 C ATOM 882 CG PHE A 57 17.417 21.467 -15.704 1.00 35.32 C ATOM 883 CD1 PHE A 57 17.520 21.817 -14.367 1.00 50.12 C ATOM 884 CD2 PHE A 57 16.157 21.388 -16.276 1.00 43.45 C ATOM 885 CE1 PHE A 57 16.390 22.082 -13.617 1.00 51.51 C ATOM 886 CE2 PHE A 57 15.024 21.653 -15.531 1.00 54.24 C ATOM 887 CZ PHE A 57 15.140 22.002 -14.200 1.00 64.31 C ATOM 0 H PHE A 57 18.562 23.762 -16.900 1.00 23.04 H new ATOM 0 HA PHE A 57 20.273 21.937 -15.334 1.00 50.22 H new ATOM 0 HB2 PHE A 57 18.382 21.185 -17.575 1.00 22.15 H new ATOM 0 HB3 PHE A 57 18.999 20.173 -16.283 1.00 22.15 H new ATOM 0 HD1 PHE A 57 18.494 21.883 -13.906 1.00 50.12 H new ATOM 0 HD2 PHE A 57 16.060 21.116 -17.317 1.00 43.45 H new ATOM 0 HE1 PHE A 57 16.484 22.352 -12.575 1.00 51.51 H new ATOM 0 HE2 PHE A 57 14.048 21.587 -15.989 1.00 54.24 H new ATOM 0 HZ PHE A 57 14.256 22.212 -13.616 1.00 64.31 H new ATOM 897 N ASP A 58 21.090 23.187 -18.053 1.00 12.54 N ATOM 898 CA ASP A 58 22.056 23.219 -19.144 1.00 62.12 C ATOM 899 C ASP A 58 21.761 22.123 -20.163 1.00 73.13 C ATOM 900 O ASP A 58 22.547 21.191 -20.333 1.00 42.13 O ATOM 901 CB ASP A 58 23.477 23.058 -18.601 1.00 32.20 C ATOM 902 CG ASP A 58 23.947 24.280 -17.837 1.00 53.22 C ATOM 903 OD1 ASP A 58 23.633 24.385 -16.633 1.00 34.32 O ATOM 904 OD2 ASP A 58 24.629 25.132 -18.444 1.00 24.25 O ATOM 0 H ASP A 58 20.659 24.088 -17.845 1.00 12.54 H new ATOM 0 HA ASP A 58 21.973 24.185 -19.641 1.00 62.12 H new ATOM 0 HB2 ASP A 58 23.516 22.187 -17.947 1.00 32.20 H new ATOM 0 HB3 ASP A 58 24.160 22.866 -19.429 1.00 32.20 H new ATOM 909 N ASP A 59 20.622 22.241 -20.838 1.00 22.33 N ATOM 910 CA ASP A 59 20.222 21.260 -21.840 1.00 44.02 C ATOM 911 C ASP A 59 19.092 21.802 -22.710 1.00 64.10 C ATOM 912 O ASP A 59 18.090 22.305 -22.202 1.00 40.33 O ATOM 913 CB ASP A 59 19.784 19.959 -21.166 1.00 5.03 C ATOM 914 CG ASP A 59 18.388 20.050 -20.583 1.00 53.44 C ATOM 915 OD1 ASP A 59 18.103 21.041 -19.879 1.00 31.04 O ATOM 916 OD2 ASP A 59 17.580 19.131 -20.832 1.00 34.03 O ATOM 0 H ASP A 59 19.960 23.006 -20.709 1.00 22.33 H new ATOM 0 HA ASP A 59 21.083 21.057 -22.477 1.00 44.02 H new ATOM 0 HB2 ASP A 59 19.819 19.147 -21.893 1.00 5.03 H new ATOM 0 HB3 ASP A 59 20.490 19.708 -20.374 1.00 5.03 H new ATOM 921 N LYS A 60 19.261 21.696 -24.024 1.00 3.53 N ATOM 922 CA LYS A 60 18.257 22.175 -24.966 1.00 15.33 C ATOM 923 C LYS A 60 16.999 21.314 -24.904 1.00 61.14 C ATOM 924 O LYS A 60 17.075 20.086 -24.946 1.00 74.42 O ATOM 925 CB LYS A 60 18.820 22.174 -26.389 1.00 32.44 C ATOM 926 CG LYS A 60 19.491 23.479 -26.779 1.00 15.43 C ATOM 927 CD LYS A 60 18.470 24.538 -27.160 1.00 53.40 C ATOM 928 CE LYS A 60 19.137 25.763 -27.768 1.00 22.41 C ATOM 929 NZ LYS A 60 19.848 26.574 -26.741 1.00 53.12 N ATOM 0 H LYS A 60 20.085 21.282 -24.461 1.00 3.53 H new ATOM 0 HA LYS A 60 17.992 23.195 -24.689 1.00 15.33 H new ATOM 0 HB2 LYS A 60 19.541 21.362 -26.485 1.00 32.44 H new ATOM 0 HB3 LYS A 60 18.012 21.967 -27.090 1.00 32.44 H new ATOM 0 HG2 LYS A 60 20.098 23.840 -25.949 1.00 15.43 H new ATOM 0 HG3 LYS A 60 20.167 23.306 -27.616 1.00 15.43 H new ATOM 0 HD2 LYS A 60 17.758 24.119 -27.871 1.00 53.40 H new ATOM 0 HD3 LYS A 60 17.903 24.832 -26.277 1.00 53.40 H new ATOM 0 HE2 LYS A 60 19.844 25.448 -28.536 1.00 22.41 H new ATOM 0 HE3 LYS A 60 18.385 26.379 -28.261 1.00 22.41 H new ATOM 0 HZ1 LYS A 60 20.289 27.399 -27.195 1.00 53.12 H new ATOM 0 HZ2 LYS A 60 19.169 26.896 -26.022 1.00 53.12 H new ATOM 0 HZ3 LYS A 60 20.583 25.994 -26.288 1.00 53.12 H new ATOM 943 N ILE A 61 15.845 21.966 -24.807 1.00 23.52 N ATOM 944 CA ILE A 61 14.572 21.258 -24.743 1.00 3.53 C ATOM 945 C ILE A 61 14.251 20.583 -26.072 1.00 23.25 C ATOM 946 O ILE A 61 14.050 19.370 -26.147 1.00 45.43 O ATOM 947 CB ILE A 61 13.419 22.209 -24.371 1.00 34.40 C ATOM 948 CG1 ILE A 61 13.297 22.328 -22.850 1.00 43.24 C ATOM 949 CG2 ILE A 61 12.112 21.717 -24.975 1.00 72.20 C ATOM 950 CD1 ILE A 61 12.426 21.260 -22.228 1.00 31.11 C ATOM 0 H ILE A 61 15.765 22.982 -24.771 1.00 23.52 H new ATOM 0 HA ILE A 61 14.671 20.498 -23.968 1.00 3.53 H new ATOM 0 HB ILE A 61 13.637 23.197 -24.778 1.00 34.40 H new ATOM 0 HG12 ILE A 61 14.292 22.276 -22.409 1.00 43.24 H new ATOM 0 HG13 ILE A 61 12.889 23.308 -22.602 1.00 43.24 H new ATOM 0 HG21 ILE A 61 11.306 22.399 -24.704 1.00 72.20 H new ATOM 0 HG22 ILE A 61 12.205 21.678 -26.060 1.00 72.20 H new ATOM 0 HG23 ILE A 61 11.888 20.721 -24.594 1.00 72.20 H new ATOM 0 HD11 ILE A 61 12.385 21.407 -21.149 1.00 31.11 H new ATOM 0 HD12 ILE A 61 11.419 21.325 -22.641 1.00 31.11 H new ATOM 0 HD13 ILE A 61 12.845 20.277 -22.445 1.00 31.11 H new ATOM 962 N PRO A 62 14.203 21.384 -27.146 1.00 61.12 N ATOM 963 CA PRO A 62 13.909 20.885 -28.493 1.00 25.10 C ATOM 964 C PRO A 62 15.043 20.034 -29.056 1.00 10.40 C ATOM 965 O PRO A 62 14.963 19.545 -30.182 1.00 73.20 O ATOM 966 CB PRO A 62 13.741 22.164 -29.316 1.00 41.24 C ATOM 967 CG PRO A 62 14.537 23.191 -28.587 1.00 52.35 C ATOM 968 CD PRO A 62 14.432 22.838 -27.130 1.00 1.45 C ATOM 0 HA PRO A 62 13.033 20.236 -28.505 1.00 25.10 H new ATOM 0 HB2 PRO A 62 14.106 22.030 -30.334 1.00 41.24 H new ATOM 0 HB3 PRO A 62 12.693 22.453 -29.388 1.00 41.24 H new ATOM 0 HG2 PRO A 62 15.576 23.185 -28.916 1.00 52.35 H new ATOM 0 HG3 PRO A 62 14.148 24.192 -28.775 1.00 52.35 H new ATOM 0 HD2 PRO A 62 15.342 23.095 -26.588 1.00 1.45 H new ATOM 0 HD3 PRO A 62 13.612 23.369 -26.646 1.00 1.45 H new ATOM 976 N GLU A 63 16.097 19.863 -28.265 1.00 24.23 N ATOM 977 CA GLU A 63 17.247 19.071 -28.686 1.00 41.12 C ATOM 978 C GLU A 63 17.306 17.749 -27.926 1.00 12.44 C ATOM 979 O GLU A 63 17.122 16.680 -28.504 1.00 63.54 O ATOM 980 CB GLU A 63 18.542 19.856 -28.468 1.00 24.22 C ATOM 981 CG GLU A 63 19.703 19.363 -29.316 1.00 31.01 C ATOM 982 CD GLU A 63 21.051 19.663 -28.690 1.00 42.14 C ATOM 983 OE1 GLU A 63 21.430 18.957 -27.732 1.00 43.23 O ATOM 984 OE2 GLU A 63 21.727 20.603 -29.158 1.00 51.12 O ATOM 0 H GLU A 63 16.179 20.262 -27.330 1.00 24.23 H new ATOM 0 HA GLU A 63 17.137 18.854 -29.748 1.00 41.12 H new ATOM 0 HB2 GLU A 63 18.361 20.908 -28.691 1.00 24.22 H new ATOM 0 HB3 GLU A 63 18.820 19.796 -27.416 1.00 24.22 H new ATOM 0 HG2 GLU A 63 19.608 18.288 -29.466 1.00 31.01 H new ATOM 0 HG3 GLU A 63 19.652 19.828 -30.301 1.00 31.01 H new ATOM 991 N ASN A 64 17.564 17.833 -26.624 1.00 53.34 N ATOM 992 CA ASN A 64 17.648 16.644 -25.784 1.00 0.52 C ATOM 993 C ASN A 64 16.257 16.141 -25.412 1.00 14.42 C ATOM 994 O ASN A 64 15.884 15.017 -25.744 1.00 33.33 O ATOM 995 CB ASN A 64 18.449 16.947 -24.516 1.00 22.22 C ATOM 996 CG ASN A 64 19.750 17.668 -24.812 1.00 13.41 C ATOM 997 OD1 ASN A 64 19.872 18.894 -24.316 1.00 35.35 O flip ATOM 998 ND2 ASN A 64 20.634 17.130 -25.479 1.00 3.10 N flip ATOM 0 H ASN A 64 17.718 18.711 -26.129 1.00 53.34 H new ATOM 0 HA ASN A 64 18.157 15.864 -26.350 1.00 0.52 H new ATOM 0 HB2 ASN A 64 17.844 17.556 -23.844 1.00 22.22 H new ATOM 0 HB3 ASN A 64 18.664 16.015 -23.994 1.00 22.22 H new ATOM 0 HD21 ASN A 64 20.497 16.186 -25.840 1.00 3.10 H new ATOM 0 HD22 ASN A 64 21.503 17.628 -25.670 1.00 3.10 H new ATOM 1005 N GLU A 65 15.494 16.983 -24.721 1.00 52.33 N ATOM 1006 CA GLU A 65 14.144 16.623 -24.304 1.00 53.23 C ATOM 1007 C GLU A 65 13.279 16.267 -25.510 1.00 13.10 C ATOM 1008 O GLU A 65 12.281 15.558 -25.384 1.00 21.34 O ATOM 1009 CB GLU A 65 13.503 17.774 -23.525 1.00 71.41 C ATOM 1010 CG GLU A 65 14.166 18.045 -22.185 1.00 44.44 C ATOM 1011 CD GLU A 65 13.162 18.277 -21.073 1.00 60.32 C ATOM 1012 OE1 GLU A 65 11.980 18.534 -21.386 1.00 24.53 O ATOM 1013 OE2 GLU A 65 13.557 18.201 -19.891 1.00 41.21 O ATOM 0 H GLU A 65 15.788 17.918 -24.439 1.00 52.33 H new ATOM 0 HA GLU A 65 14.212 15.749 -23.656 1.00 53.23 H new ATOM 0 HB2 GLU A 65 13.544 18.679 -24.131 1.00 71.41 H new ATOM 0 HB3 GLU A 65 12.449 17.548 -23.361 1.00 71.41 H new ATOM 0 HG2 GLU A 65 14.804 17.201 -21.923 1.00 44.44 H new ATOM 0 HG3 GLU A 65 14.812 18.918 -22.274 1.00 44.44 H new ATOM 1020 N ALA A 66 13.669 16.765 -26.679 1.00 11.54 N ATOM 1021 CA ALA A 66 12.931 16.499 -27.907 1.00 40.31 C ATOM 1022 C ALA A 66 13.031 15.029 -28.300 1.00 14.22 C ATOM 1023 O ALA A 66 12.314 14.564 -29.184 1.00 75.52 O ATOM 1024 CB ALA A 66 13.444 17.384 -29.033 1.00 44.43 C ATOM 0 H ALA A 66 14.492 17.355 -26.801 1.00 11.54 H new ATOM 0 HA ALA A 66 11.881 16.730 -27.728 1.00 40.31 H new ATOM 0 HB1 ALA A 66 12.884 17.175 -29.944 1.00 44.43 H new ATOM 0 HB2 ALA A 66 13.315 18.431 -28.760 1.00 44.43 H new ATOM 0 HB3 ALA A 66 14.501 17.181 -29.202 1.00 44.43 H new ATOM 1030 N ASN A 67 13.925 14.304 -27.636 1.00 60.45 N ATOM 1031 CA ASN A 67 14.119 12.886 -27.918 1.00 21.23 C ATOM 1032 C ASN A 67 12.840 12.098 -27.649 1.00 65.02 C ATOM 1033 O ASN A 67 12.600 11.059 -28.263 1.00 53.35 O ATOM 1034 CB ASN A 67 15.263 12.328 -27.068 1.00 60.05 C ATOM 1035 CG ASN A 67 14.811 11.937 -25.675 1.00 11.24 C ATOM 1036 OD1 ASN A 67 14.906 10.774 -25.282 1.00 43.14 O ATOM 1037 ND2 ASN A 67 14.315 12.910 -24.919 1.00 42.21 N ATOM 0 H ASN A 67 14.526 14.674 -26.900 1.00 60.45 H new ATOM 0 HA ASN A 67 14.374 12.782 -28.973 1.00 21.23 H new ATOM 0 HB2 ASN A 67 15.691 11.458 -27.566 1.00 60.05 H new ATOM 0 HB3 ASN A 67 16.054 13.074 -26.994 1.00 60.05 H new ATOM 0 HD21 ASN A 67 13.994 12.707 -23.972 1.00 42.21 H new ATOM 0 HD22 ASN A 67 14.255 13.860 -25.285 1.00 42.21 H new ATOM 1044 N GLU A 68 12.025 12.601 -26.728 1.00 35.42 N ATOM 1045 CA GLU A 68 10.771 11.943 -26.378 1.00 52.23 C ATOM 1046 C GLU A 68 9.765 12.949 -25.825 1.00 21.32 C ATOM 1047 O GLU A 68 9.081 12.680 -24.838 1.00 35.45 O ATOM 1048 CB GLU A 68 11.019 10.836 -25.352 1.00 74.31 C ATOM 1049 CG GLU A 68 11.373 9.496 -25.976 1.00 5.32 C ATOM 1050 CD GLU A 68 11.545 8.399 -24.943 1.00 54.03 C ATOM 1051 OE1 GLU A 68 12.094 8.686 -23.859 1.00 44.02 O ATOM 1052 OE2 GLU A 68 11.130 7.254 -25.219 1.00 15.20 O ATOM 0 H GLU A 68 12.210 13.461 -26.211 1.00 35.42 H new ATOM 0 HA GLU A 68 10.357 11.501 -27.284 1.00 52.23 H new ATOM 0 HB2 GLU A 68 11.827 11.143 -24.687 1.00 74.31 H new ATOM 0 HB3 GLU A 68 10.128 10.716 -24.736 1.00 74.31 H new ATOM 0 HG2 GLU A 68 10.591 9.209 -26.679 1.00 5.32 H new ATOM 0 HG3 GLU A 68 12.295 9.598 -26.549 1.00 5.32 H new ATOM 1059 N PHE A 69 9.682 14.109 -26.468 1.00 22.32 N ATOM 1060 CA PHE A 69 8.762 15.156 -26.040 1.00 30.11 C ATOM 1061 C PHE A 69 7.467 15.105 -26.846 1.00 21.34 C ATOM 1062 O PHE A 69 7.475 14.773 -28.031 1.00 13.34 O ATOM 1063 CB PHE A 69 9.415 16.531 -26.190 1.00 44.24 C ATOM 1064 CG PHE A 69 9.334 17.373 -24.949 1.00 20.41 C ATOM 1065 CD1 PHE A 69 9.577 16.818 -23.703 1.00 23.22 C ATOM 1066 CD2 PHE A 69 9.014 18.718 -25.028 1.00 13.41 C ATOM 1067 CE1 PHE A 69 9.504 17.589 -22.558 1.00 54.43 C ATOM 1068 CE2 PHE A 69 8.939 19.495 -23.887 1.00 60.11 C ATOM 1069 CZ PHE A 69 9.183 18.930 -22.651 1.00 20.53 C ATOM 0 H PHE A 69 10.241 14.348 -27.287 1.00 22.32 H new ATOM 0 HA PHE A 69 8.523 14.988 -24.990 1.00 30.11 H new ATOM 0 HB2 PHE A 69 10.462 16.399 -26.462 1.00 44.24 H new ATOM 0 HB3 PHE A 69 8.937 17.063 -27.012 1.00 44.24 H new ATOM 0 HD1 PHE A 69 9.827 15.770 -23.625 1.00 23.22 H new ATOM 0 HD2 PHE A 69 8.821 19.165 -25.992 1.00 13.41 H new ATOM 0 HE1 PHE A 69 9.697 17.144 -21.593 1.00 54.43 H new ATOM 0 HE2 PHE A 69 8.690 20.543 -23.962 1.00 60.11 H new ATOM 0 HZ PHE A 69 9.123 19.535 -21.758 1.00 20.53 H new ATOM 1079 N GLU A 70 6.357 15.435 -26.193 1.00 22.24 N ATOM 1080 CA GLU A 70 5.055 15.425 -26.848 1.00 34.12 C ATOM 1081 C GLU A 70 4.076 16.348 -26.127 1.00 42.13 C ATOM 1082 O GLU A 70 3.644 17.363 -26.675 1.00 12.14 O ATOM 1083 CB GLU A 70 4.492 14.003 -26.892 1.00 62.44 C ATOM 1084 CG GLU A 70 3.251 13.866 -27.759 1.00 23.34 C ATOM 1085 CD GLU A 70 3.582 13.602 -29.215 1.00 5.13 C ATOM 1086 OE1 GLU A 70 4.250 12.585 -29.496 1.00 30.42 O ATOM 1087 OE2 GLU A 70 3.175 14.413 -30.073 1.00 32.45 O ATOM 0 H GLU A 70 6.334 15.712 -25.212 1.00 22.24 H new ATOM 0 HA GLU A 70 5.187 15.788 -27.867 1.00 34.12 H new ATOM 0 HB2 GLU A 70 5.262 13.328 -27.265 1.00 62.44 H new ATOM 0 HB3 GLU A 70 4.253 13.684 -25.877 1.00 62.44 H new ATOM 0 HG2 GLU A 70 2.634 13.053 -27.377 1.00 23.34 H new ATOM 0 HG3 GLU A 70 2.658 14.778 -27.685 1.00 23.34 H new ATOM 1094 N THR A 71 3.730 15.988 -24.895 1.00 50.32 N ATOM 1095 CA THR A 71 2.802 16.782 -24.100 1.00 31.24 C ATOM 1096 C THR A 71 3.271 16.890 -22.653 1.00 73.31 C ATOM 1097 O THR A 71 4.342 16.397 -22.299 1.00 11.23 O ATOM 1098 CB THR A 71 1.384 16.180 -24.124 1.00 41.13 C ATOM 1099 OG1 THR A 71 1.326 15.027 -23.277 1.00 3.44 O ATOM 1100 CG2 THR A 71 0.984 15.795 -25.541 1.00 23.14 C ATOM 0 H THR A 71 4.079 15.152 -24.426 1.00 50.32 H new ATOM 0 HA THR A 71 2.774 17.776 -24.546 1.00 31.24 H new ATOM 0 HB THR A 71 0.687 16.934 -23.758 1.00 41.13 H new ATOM 0 HG1 THR A 71 0.417 14.926 -22.924 1.00 3.44 H new ATOM 0 HG21 THR A 71 -0.021 15.372 -25.533 1.00 23.14 H new ATOM 0 HG22 THR A 71 1.000 16.680 -26.177 1.00 23.14 H new ATOM 0 HG23 THR A 71 1.685 15.056 -25.929 1.00 23.14 H new ATOM 1108 N VAL A 72 2.461 17.537 -21.820 1.00 65.32 N ATOM 1109 CA VAL A 72 2.793 17.708 -20.411 1.00 30.43 C ATOM 1110 C VAL A 72 3.197 16.381 -19.776 1.00 52.45 C ATOM 1111 O VAL A 72 4.150 16.317 -19.001 1.00 70.44 O ATOM 1112 CB VAL A 72 1.609 18.301 -19.624 1.00 4.12 C ATOM 1113 CG1 VAL A 72 2.020 18.606 -18.191 1.00 73.41 C ATOM 1114 CG2 VAL A 72 1.085 19.551 -20.314 1.00 13.11 C ATOM 0 H VAL A 72 1.571 17.951 -22.097 1.00 65.32 H new ATOM 0 HA VAL A 72 3.634 18.400 -20.366 1.00 30.43 H new ATOM 0 HB VAL A 72 0.806 17.564 -19.598 1.00 4.12 H new ATOM 0 HG11 VAL A 72 1.171 19.024 -17.650 1.00 73.41 H new ATOM 0 HG12 VAL A 72 2.345 17.687 -17.702 1.00 73.41 H new ATOM 0 HG13 VAL A 72 2.839 19.325 -18.193 1.00 73.41 H new ATOM 0 HG21 VAL A 72 0.249 19.957 -19.745 1.00 13.11 H new ATOM 0 HG22 VAL A 72 1.880 20.295 -20.372 1.00 13.11 H new ATOM 0 HG23 VAL A 72 0.750 19.298 -21.320 1.00 13.11 H new ATOM 1124 N GLY A 73 2.464 15.324 -20.112 1.00 22.41 N ATOM 1125 CA GLY A 73 2.762 14.012 -19.566 1.00 54.15 C ATOM 1126 C GLY A 73 4.233 13.661 -19.670 1.00 13.23 C ATOM 1127 O GLY A 73 4.807 13.085 -18.745 1.00 52.34 O ATOM 0 H GLY A 73 1.670 15.352 -20.752 1.00 22.41 H new ATOM 0 HA2 GLY A 73 2.457 13.979 -18.520 1.00 54.15 H new ATOM 0 HA3 GLY A 73 2.174 13.260 -20.093 1.00 54.15 H new ATOM 1131 N ASP A 74 4.844 14.007 -20.797 1.00 51.13 N ATOM 1132 CA ASP A 74 6.257 13.725 -21.019 1.00 24.45 C ATOM 1133 C ASP A 74 7.127 14.496 -20.031 1.00 11.33 C ATOM 1134 O ASP A 74 7.980 13.919 -19.356 1.00 41.53 O ATOM 1135 CB ASP A 74 6.652 14.082 -22.452 1.00 65.02 C ATOM 1136 CG ASP A 74 5.992 13.180 -23.477 1.00 1.34 C ATOM 1137 OD1 ASP A 74 4.978 12.537 -23.134 1.00 63.01 O ATOM 1138 OD2 ASP A 74 6.490 13.117 -24.621 1.00 13.35 O ATOM 0 H ASP A 74 4.383 14.484 -21.572 1.00 51.13 H new ATOM 0 HA ASP A 74 6.418 12.658 -20.862 1.00 24.45 H new ATOM 0 HB2 ASP A 74 6.378 15.118 -22.654 1.00 65.02 H new ATOM 0 HB3 ASP A 74 7.735 14.013 -22.555 1.00 65.02 H new ATOM 1143 N VAL A 75 6.905 15.805 -19.951 1.00 61.54 N ATOM 1144 CA VAL A 75 7.668 16.656 -19.046 1.00 61.33 C ATOM 1145 C VAL A 75 7.633 16.113 -17.622 1.00 4.51 C ATOM 1146 O VAL A 75 8.655 16.074 -16.936 1.00 11.52 O ATOM 1147 CB VAL A 75 7.131 18.099 -19.048 1.00 5.55 C ATOM 1148 CG1 VAL A 75 8.071 19.019 -18.284 1.00 5.45 C ATOM 1149 CG2 VAL A 75 6.932 18.592 -20.473 1.00 11.01 C ATOM 0 H VAL A 75 6.203 16.298 -20.502 1.00 61.54 H new ATOM 0 HA VAL A 75 8.697 16.659 -19.405 1.00 61.33 H new ATOM 0 HB VAL A 75 6.163 18.109 -18.546 1.00 5.55 H new ATOM 0 HG11 VAL A 75 7.675 20.035 -18.296 1.00 5.45 H new ATOM 0 HG12 VAL A 75 8.158 18.676 -17.253 1.00 5.45 H new ATOM 0 HG13 VAL A 75 9.054 19.007 -18.755 1.00 5.45 H new ATOM 0 HG21 VAL A 75 6.552 19.613 -20.455 1.00 11.01 H new ATOM 0 HG22 VAL A 75 7.884 18.568 -21.003 1.00 11.01 H new ATOM 0 HG23 VAL A 75 6.217 17.948 -20.984 1.00 11.01 H new ATOM 1159 N VAL A 76 6.451 15.695 -17.182 1.00 72.14 N ATOM 1160 CA VAL A 76 6.282 15.153 -15.839 1.00 64.25 C ATOM 1161 C VAL A 76 7.278 14.030 -15.571 1.00 70.24 C ATOM 1162 O VAL A 76 8.080 14.107 -14.642 1.00 64.21 O ATOM 1163 CB VAL A 76 4.853 14.619 -15.625 1.00 5.43 C ATOM 1164 CG1 VAL A 76 4.731 13.955 -14.262 1.00 15.33 C ATOM 1165 CG2 VAL A 76 3.838 15.742 -15.773 1.00 41.33 C ATOM 0 H VAL A 76 5.595 15.721 -17.736 1.00 72.14 H new ATOM 0 HA VAL A 76 6.464 15.971 -15.142 1.00 64.25 H new ATOM 0 HB VAL A 76 4.645 13.869 -16.388 1.00 5.43 H new ATOM 0 HG11 VAL A 76 3.715 13.584 -14.128 1.00 15.33 H new ATOM 0 HG12 VAL A 76 5.433 13.123 -14.198 1.00 15.33 H new ATOM 0 HG13 VAL A 76 4.958 14.682 -13.482 1.00 15.33 H new ATOM 0 HG21 VAL A 76 2.834 15.347 -15.619 1.00 41.33 H new ATOM 0 HG22 VAL A 76 4.041 16.516 -15.033 1.00 41.33 H new ATOM 0 HG23 VAL A 76 3.911 16.168 -16.773 1.00 41.33 H new ATOM 1175 N ASN A 77 7.220 12.986 -16.393 1.00 1.52 N ATOM 1176 CA ASN A 77 8.117 11.846 -16.244 1.00 42.24 C ATOM 1177 C ASN A 77 9.556 12.240 -16.566 1.00 14.30 C ATOM 1178 O ASN A 77 10.502 11.585 -16.131 1.00 25.33 O ATOM 1179 CB ASN A 77 7.674 10.700 -17.156 1.00 45.44 C ATOM 1180 CG ASN A 77 8.424 10.688 -18.475 1.00 14.41 C ATOM 1181 OD1 ASN A 77 9.580 10.272 -18.541 1.00 22.33 O ATOM 1182 ND2 ASN A 77 7.766 11.147 -19.533 1.00 54.22 N ATOM 0 H ASN A 77 6.562 12.907 -17.168 1.00 1.52 H new ATOM 0 HA ASN A 77 8.073 11.514 -15.207 1.00 42.24 H new ATOM 0 HB2 ASN A 77 7.830 9.751 -16.644 1.00 45.44 H new ATOM 0 HB3 ASN A 77 6.605 10.786 -17.350 1.00 45.44 H new ATOM 0 HD21 ASN A 77 8.219 11.164 -20.447 1.00 54.22 H new ATOM 0 HD22 ASN A 77 6.808 11.482 -19.432 1.00 54.22 H new ATOM 1189 N PHE A 78 9.712 13.316 -17.330 1.00 53.05 N ATOM 1190 CA PHE A 78 11.034 13.798 -17.711 1.00 44.01 C ATOM 1191 C PHE A 78 11.767 14.383 -16.507 1.00 63.13 C ATOM 1192 O PHE A 78 12.830 13.897 -16.118 1.00 72.02 O ATOM 1193 CB PHE A 78 10.918 14.853 -18.814 1.00 24.34 C ATOM 1194 CG PHE A 78 11.049 14.288 -20.199 1.00 45.23 C ATOM 1195 CD1 PHE A 78 10.435 13.093 -20.536 1.00 23.44 C ATOM 1196 CD2 PHE A 78 11.787 14.953 -21.165 1.00 43.04 C ATOM 1197 CE1 PHE A 78 10.554 12.571 -21.810 1.00 34.50 C ATOM 1198 CE2 PHE A 78 11.909 14.436 -22.441 1.00 53.14 C ATOM 1199 CZ PHE A 78 11.292 13.243 -22.764 1.00 22.12 C ATOM 0 H PHE A 78 8.939 13.871 -17.697 1.00 53.05 H new ATOM 0 HA PHE A 78 11.608 12.951 -18.087 1.00 44.01 H new ATOM 0 HB2 PHE A 78 9.955 15.356 -18.725 1.00 24.34 H new ATOM 0 HB3 PHE A 78 11.688 15.610 -18.664 1.00 24.34 H new ATOM 0 HD1 PHE A 78 9.856 12.563 -19.794 1.00 23.44 H new ATOM 0 HD2 PHE A 78 12.272 15.886 -20.918 1.00 43.04 H new ATOM 0 HE1 PHE A 78 10.070 11.638 -22.059 1.00 34.50 H new ATOM 0 HE2 PHE A 78 12.486 14.964 -23.185 1.00 53.14 H new ATOM 0 HZ PHE A 78 11.387 12.837 -23.760 1.00 22.12 H new ATOM 1209 N ILE A 79 11.192 15.429 -15.923 1.00 64.41 N ATOM 1210 CA ILE A 79 11.790 16.080 -14.764 1.00 21.51 C ATOM 1211 C ILE A 79 11.900 15.115 -13.588 1.00 0.12 C ATOM 1212 O ILE A 79 12.717 15.307 -12.687 1.00 11.31 O ATOM 1213 CB ILE A 79 10.976 17.312 -14.328 1.00 52.02 C ATOM 1214 CG1 ILE A 79 10.824 18.289 -15.496 1.00 31.10 C ATOM 1215 CG2 ILE A 79 11.641 17.995 -13.143 1.00 24.44 C ATOM 1216 CD1 ILE A 79 10.080 19.555 -15.132 1.00 30.30 C ATOM 0 H ILE A 79 10.313 15.844 -16.233 1.00 64.41 H new ATOM 0 HA ILE A 79 12.788 16.401 -15.062 1.00 21.51 H new ATOM 0 HB ILE A 79 9.983 16.983 -14.022 1.00 52.02 H new ATOM 0 HG12 ILE A 79 11.813 18.553 -15.869 1.00 31.10 H new ATOM 0 HG13 ILE A 79 10.299 17.790 -16.311 1.00 31.10 H new ATOM 0 HG21 ILE A 79 11.053 18.864 -12.847 1.00 24.44 H new ATOM 0 HG22 ILE A 79 11.702 17.297 -12.308 1.00 24.44 H new ATOM 0 HG23 ILE A 79 12.645 18.314 -13.423 1.00 24.44 H new ATOM 0 HD11 ILE A 79 10.010 20.200 -16.008 1.00 30.30 H new ATOM 0 HD12 ILE A 79 9.078 19.302 -14.787 1.00 30.30 H new ATOM 0 HD13 ILE A 79 10.616 20.077 -14.339 1.00 30.30 H new ATOM 1228 N LYS A 80 11.073 14.075 -13.603 1.00 40.32 N ATOM 1229 CA LYS A 80 11.078 13.077 -12.540 1.00 40.33 C ATOM 1230 C LYS A 80 12.399 12.315 -12.516 1.00 0.02 C ATOM 1231 O LYS A 80 13.057 12.225 -11.479 1.00 40.31 O ATOM 1232 CB LYS A 80 9.916 12.099 -12.726 1.00 31.04 C ATOM 1233 CG LYS A 80 8.682 12.459 -11.916 1.00 43.51 C ATOM 1234 CD LYS A 80 7.423 11.868 -12.526 1.00 55.32 C ATOM 1235 CE LYS A 80 7.502 10.352 -12.609 1.00 62.34 C ATOM 1236 NZ LYS A 80 7.840 9.741 -11.294 1.00 1.11 N ATOM 0 H LYS A 80 10.390 13.901 -14.340 1.00 40.32 H new ATOM 0 HA LYS A 80 10.960 13.595 -11.588 1.00 40.33 H new ATOM 0 HB2 LYS A 80 9.649 12.062 -13.782 1.00 31.04 H new ATOM 0 HB3 LYS A 80 10.246 11.099 -12.445 1.00 31.04 H new ATOM 0 HG2 LYS A 80 8.797 12.096 -10.895 1.00 43.51 H new ATOM 0 HG3 LYS A 80 8.586 13.543 -11.860 1.00 43.51 H new ATOM 0 HD2 LYS A 80 6.558 12.156 -11.928 1.00 55.32 H new ATOM 0 HD3 LYS A 80 7.273 12.281 -13.524 1.00 55.32 H new ATOM 0 HE2 LYS A 80 6.548 9.957 -12.958 1.00 62.34 H new ATOM 0 HE3 LYS A 80 8.253 10.067 -13.345 1.00 62.34 H new ATOM 0 HZ1 LYS A 80 7.220 8.924 -11.121 1.00 1.11 H new ATOM 0 HZ2 LYS A 80 8.832 9.427 -11.302 1.00 1.11 H new ATOM 0 HZ3 LYS A 80 7.705 10.444 -10.540 1.00 1.11 H new ATOM 1250 N LYS A 81 12.783 11.768 -13.664 1.00 53.34 N ATOM 1251 CA LYS A 81 14.027 11.016 -13.776 1.00 74.14 C ATOM 1252 C LYS A 81 15.220 11.956 -13.914 1.00 63.53 C ATOM 1253 O LYS A 81 16.351 11.589 -13.593 1.00 51.12 O ATOM 1254 CB LYS A 81 13.968 10.069 -14.977 1.00 52.34 C ATOM 1255 CG LYS A 81 13.586 10.758 -16.276 1.00 73.33 C ATOM 1256 CD LYS A 81 14.394 10.226 -17.448 1.00 1.20 C ATOM 1257 CE LYS A 81 14.584 11.287 -18.521 1.00 43.20 C ATOM 1258 NZ LYS A 81 15.645 10.907 -19.495 1.00 12.31 N ATOM 0 H LYS A 81 12.250 11.832 -14.531 1.00 53.34 H new ATOM 0 HA LYS A 81 14.152 10.430 -12.865 1.00 74.14 H new ATOM 0 HB2 LYS A 81 14.940 9.592 -15.101 1.00 52.34 H new ATOM 0 HB3 LYS A 81 13.248 9.277 -14.770 1.00 52.34 H new ATOM 0 HG2 LYS A 81 12.523 10.610 -16.469 1.00 73.33 H new ATOM 0 HG3 LYS A 81 13.746 11.832 -16.180 1.00 73.33 H new ATOM 0 HD2 LYS A 81 15.367 9.885 -17.095 1.00 1.20 H new ATOM 0 HD3 LYS A 81 13.889 9.360 -17.876 1.00 1.20 H new ATOM 0 HE2 LYS A 81 13.644 11.441 -19.050 1.00 43.20 H new ATOM 0 HE3 LYS A 81 14.845 12.236 -18.052 1.00 43.20 H new ATOM 0 HZ1 LYS A 81 15.744 11.656 -20.210 1.00 12.31 H new ATOM 0 HZ2 LYS A 81 16.548 10.785 -18.994 1.00 12.31 H new ATOM 0 HZ3 LYS A 81 15.384 10.015 -19.962 1.00 12.31 H new ATOM 1272 N ARG A 82 14.961 13.168 -14.392 1.00 51.22 N ATOM 1273 CA ARG A 82 16.014 14.160 -14.572 1.00 2.02 C ATOM 1274 C ARG A 82 16.795 14.365 -13.277 1.00 33.13 C ATOM 1275 O ARG A 82 18.009 14.570 -13.296 1.00 55.32 O ATOM 1276 CB ARG A 82 15.418 15.490 -15.036 1.00 51.12 C ATOM 1277 CG ARG A 82 16.414 16.386 -15.754 1.00 55.25 C ATOM 1278 CD ARG A 82 15.710 17.411 -16.630 1.00 12.42 C ATOM 1279 NE ARG A 82 14.857 16.781 -17.633 1.00 74.34 N ATOM 1280 CZ ARG A 82 15.325 16.119 -18.685 1.00 63.23 C ATOM 1281 NH1 ARG A 82 16.633 16.001 -18.870 1.00 50.20 N ATOM 1282 NH2 ARG A 82 14.485 15.572 -19.555 1.00 43.20 N ATOM 0 H ARG A 82 14.031 13.487 -14.662 1.00 51.22 H new ATOM 0 HA ARG A 82 16.699 13.791 -15.335 1.00 2.02 H new ATOM 0 HB2 ARG A 82 14.578 15.290 -15.700 1.00 51.12 H new ATOM 0 HB3 ARG A 82 15.021 16.022 -14.171 1.00 51.12 H new ATOM 0 HG2 ARG A 82 17.038 16.899 -15.022 1.00 55.25 H new ATOM 0 HG3 ARG A 82 17.078 15.776 -16.367 1.00 55.25 H new ATOM 0 HD2 ARG A 82 15.108 18.070 -16.004 1.00 12.42 H new ATOM 0 HD3 ARG A 82 16.453 18.035 -17.127 1.00 12.42 H new ATOM 0 HE ARG A 82 13.846 16.853 -17.520 1.00 74.34 H new ATOM 0 HH11 ARG A 82 17.282 16.419 -18.204 1.00 50.20 H new ATOM 0 HH12 ARG A 82 16.990 15.492 -19.679 1.00 50.20 H new ATOM 0 HH21 ARG A 82 13.478 15.660 -19.416 1.00 43.20 H new ATOM 0 HH22 ARG A 82 14.846 15.064 -20.362 1.00 43.20 H new ATOM 1296 N LYS A 83 16.090 14.308 -12.152 1.00 13.11 N ATOM 1297 CA LYS A 83 16.715 14.486 -10.847 1.00 12.32 C ATOM 1298 C LYS A 83 16.630 13.205 -10.023 1.00 51.23 C ATOM 1299 O LYS A 83 17.572 12.845 -9.318 1.00 53.42 O ATOM 1300 CB LYS A 83 16.046 15.636 -10.091 1.00 13.43 C ATOM 1301 CG LYS A 83 16.992 16.396 -9.177 1.00 62.03 C ATOM 1302 CD LYS A 83 17.145 15.704 -7.833 1.00 64.13 C ATOM 1303 CE LYS A 83 17.744 16.636 -6.791 1.00 44.24 C ATOM 1304 NZ LYS A 83 16.798 17.719 -6.407 1.00 12.53 N ATOM 0 H LYS A 83 15.085 14.140 -12.118 1.00 13.11 H new ATOM 0 HA LYS A 83 17.766 14.726 -11.006 1.00 12.32 H new ATOM 0 HB2 LYS A 83 15.614 16.331 -10.812 1.00 13.43 H new ATOM 0 HB3 LYS A 83 15.222 15.239 -9.498 1.00 13.43 H new ATOM 0 HG2 LYS A 83 17.968 16.485 -9.655 1.00 62.03 H new ATOM 0 HG3 LYS A 83 16.618 17.408 -9.025 1.00 62.03 H new ATOM 0 HD2 LYS A 83 16.172 15.352 -7.491 1.00 64.13 H new ATOM 0 HD3 LYS A 83 17.780 14.826 -7.945 1.00 64.13 H new ATOM 0 HE2 LYS A 83 18.018 16.062 -5.906 1.00 44.24 H new ATOM 0 HE3 LYS A 83 18.661 17.077 -7.182 1.00 44.24 H new ATOM 0 HZ1 LYS A 83 17.090 18.128 -5.497 1.00 12.53 H new ATOM 0 HZ2 LYS A 83 16.803 18.460 -7.137 1.00 12.53 H new ATOM 0 HZ3 LYS A 83 15.839 17.327 -6.318 1.00 12.53 H new ATOM 1318 N GLY A 84 15.495 12.519 -10.119 1.00 52.30 N ATOM 1319 CA GLY A 84 15.309 11.285 -9.379 1.00 1.13 C ATOM 1320 C GLY A 84 15.290 10.066 -10.279 1.00 51.03 C ATOM 1321 O GLY A 84 14.347 9.275 -10.245 1.00 2.42 O ATOM 0 H GLY A 84 14.701 12.796 -10.696 1.00 52.30 H new ATOM 0 HA2 GLY A 84 16.110 11.180 -8.647 1.00 1.13 H new ATOM 0 HA3 GLY A 84 14.373 11.336 -8.822 1.00 1.13 H new