USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 525 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.458 X(o=-0.46,f=-0.042) USER MOD Single : A 14 LYS NZ :NH3+ -154:sc= 0.16 (180deg=0.00967) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.715 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 91:sc= 0.0464 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 4.219 -2.062 -3.690 1.00 21.34 N ATOM 19 CA LYS A 2 5.641 -1.876 -3.427 1.00 42.51 C ATOM 20 C LYS A 2 6.263 -0.928 -4.448 1.00 21.10 C ATOM 21 O LYS A 2 6.024 -1.050 -5.649 1.00 54.14 O ATOM 22 CB LYS A 2 6.367 -3.222 -3.457 1.00 25.33 C ATOM 23 CG LYS A 2 6.410 -3.920 -2.108 1.00 73.34 C ATOM 24 CD LYS A 2 6.506 -5.429 -2.264 1.00 50.31 C ATOM 25 CE LYS A 2 6.336 -6.139 -0.930 1.00 1.22 C ATOM 26 NZ LYS A 2 7.409 -7.144 -0.696 1.00 63.41 N ATOM 0 HA LYS A 2 5.747 -1.435 -2.436 1.00 42.51 H new ATOM 0 HB2 LYS A 2 5.876 -3.874 -4.179 1.00 25.33 H new ATOM 0 HB3 LYS A 2 7.387 -3.068 -3.810 1.00 25.33 H new ATOM 0 HG2 LYS A 2 7.264 -3.557 -1.537 1.00 73.34 H new ATOM 0 HG3 LYS A 2 5.515 -3.668 -1.538 1.00 73.34 H new ATOM 0 HD2 LYS A 2 5.742 -5.773 -2.961 1.00 50.31 H new ATOM 0 HD3 LYS A 2 7.472 -5.690 -2.696 1.00 50.31 H new ATOM 0 HE2 LYS A 2 6.344 -5.405 -0.124 1.00 1.22 H new ATOM 0 HE3 LYS A 2 5.364 -6.632 -0.902 1.00 1.22 H new ATOM 0 HZ1 LYS A 2 7.257 -7.606 0.223 1.00 63.41 H new ATOM 0 HZ2 LYS A 2 7.385 -7.859 -1.451 1.00 63.41 H new ATOM 0 HZ3 LYS A 2 8.335 -6.670 -0.697 1.00 63.41 H new ATOM 40 N VAL A 3 7.064 0.015 -3.962 1.00 51.33 N ATOM 41 CA VAL A 3 7.722 0.982 -4.833 1.00 24.21 C ATOM 42 C VAL A 3 9.171 1.202 -4.413 1.00 2.24 C ATOM 43 O VAL A 3 9.506 1.113 -3.231 1.00 43.22 O ATOM 44 CB VAL A 3 6.986 2.335 -4.828 1.00 23.25 C ATOM 45 CG1 VAL A 3 7.583 3.272 -5.867 1.00 20.43 C ATOM 46 CG2 VAL A 3 5.499 2.132 -5.072 1.00 15.31 C ATOM 0 H VAL A 3 7.273 0.130 -2.970 1.00 51.33 H new ATOM 0 HA VAL A 3 7.697 0.568 -5.841 1.00 24.21 H new ATOM 0 HB VAL A 3 7.111 2.794 -3.847 1.00 23.25 H new ATOM 0 HG11 VAL A 3 7.050 4.223 -5.849 1.00 20.43 H new ATOM 0 HG12 VAL A 3 8.636 3.442 -5.642 1.00 20.43 H new ATOM 0 HG13 VAL A 3 7.492 2.824 -6.856 1.00 20.43 H new ATOM 0 HG21 VAL A 3 4.994 3.098 -5.065 1.00 15.31 H new ATOM 0 HG22 VAL A 3 5.351 1.652 -6.039 1.00 15.31 H new ATOM 0 HG23 VAL A 3 5.084 1.500 -4.286 1.00 15.31 H new ATOM 56 N TYR A 4 10.026 1.491 -5.387 1.00 65.21 N ATOM 57 CA TYR A 4 11.441 1.722 -5.119 1.00 12.41 C ATOM 58 C TYR A 4 11.921 3.002 -5.796 1.00 43.23 C ATOM 59 O TYR A 4 11.916 3.109 -7.023 1.00 3.13 O ATOM 60 CB TYR A 4 12.274 0.534 -5.600 1.00 61.54 C ATOM 61 CG TYR A 4 13.543 0.935 -6.319 1.00 33.43 C ATOM 62 CD1 TYR A 4 14.665 1.346 -5.610 1.00 60.11 C ATOM 63 CD2 TYR A 4 13.619 0.903 -7.706 1.00 0.34 C ATOM 64 CE1 TYR A 4 15.826 1.714 -6.262 1.00 21.11 C ATOM 65 CE2 TYR A 4 14.776 1.268 -8.366 1.00 3.13 C ATOM 66 CZ TYR A 4 15.877 1.673 -7.640 1.00 30.13 C ATOM 67 OH TYR A 4 17.031 2.038 -8.294 1.00 2.44 O ATOM 0 H TYR A 4 9.764 1.571 -6.370 1.00 65.21 H new ATOM 0 HA TYR A 4 11.567 1.832 -4.042 1.00 12.41 H new ATOM 0 HB2 TYR A 4 12.533 -0.088 -4.743 1.00 61.54 H new ATOM 0 HB3 TYR A 4 11.667 -0.079 -6.267 1.00 61.54 H new ATOM 0 HD1 TYR A 4 14.629 1.378 -4.531 1.00 60.11 H new ATOM 0 HD2 TYR A 4 12.759 0.587 -8.278 1.00 0.34 H new ATOM 0 HE1 TYR A 4 16.689 2.032 -5.696 1.00 21.11 H new ATOM 0 HE2 TYR A 4 14.819 1.237 -9.445 1.00 3.13 H new ATOM 0 HH TYR A 4 16.900 1.951 -9.261 1.00 2.44 H new ATOM 77 N VAL A 5 12.337 3.972 -4.988 1.00 31.14 N ATOM 78 CA VAL A 5 12.823 5.245 -5.507 1.00 32.32 C ATOM 79 C VAL A 5 14.302 5.438 -5.192 1.00 12.22 C ATOM 80 O VAL A 5 14.671 5.750 -4.060 1.00 72.13 O ATOM 81 CB VAL A 5 12.026 6.428 -4.926 1.00 44.42 C ATOM 82 CG1 VAL A 5 10.603 6.429 -5.463 1.00 43.31 C ATOM 83 CG2 VAL A 5 12.032 6.379 -3.406 1.00 35.12 C ATOM 0 H VAL A 5 12.347 3.900 -3.971 1.00 31.14 H new ATOM 0 HA VAL A 5 12.686 5.220 -6.588 1.00 32.32 H new ATOM 0 HB VAL A 5 12.506 7.355 -5.238 1.00 44.42 H new ATOM 0 HG11 VAL A 5 10.056 7.272 -5.041 1.00 43.31 H new ATOM 0 HG12 VAL A 5 10.624 6.517 -6.549 1.00 43.31 H new ATOM 0 HG13 VAL A 5 10.108 5.499 -5.184 1.00 43.31 H new ATOM 0 HG21 VAL A 5 11.464 7.222 -3.013 1.00 35.12 H new ATOM 0 HG22 VAL A 5 11.577 5.447 -3.070 1.00 35.12 H new ATOM 0 HG23 VAL A 5 13.059 6.433 -3.044 1.00 35.12 H new ATOM 93 N GLY A 6 15.146 5.251 -6.202 1.00 40.30 N ATOM 94 CA GLY A 6 16.576 5.410 -6.013 1.00 21.03 C ATOM 95 C GLY A 6 17.115 6.657 -6.685 1.00 41.00 C ATOM 96 O GLY A 6 16.349 7.500 -7.149 1.00 50.31 O ATOM 0 H GLY A 6 14.865 4.992 -7.148 1.00 40.30 H new ATOM 0 HA2 GLY A 6 16.796 5.452 -4.946 1.00 21.03 H new ATOM 0 HA3 GLY A 6 17.091 4.535 -6.410 1.00 21.03 H new ATOM 100 N ASN A 7 18.438 6.775 -6.736 1.00 51.12 N ATOM 101 CA ASN A 7 19.079 7.930 -7.355 1.00 32.12 C ATOM 102 C ASN A 7 18.731 9.212 -6.604 1.00 63.21 C ATOM 103 O ASN A 7 17.987 10.056 -7.106 1.00 24.14 O ATOM 104 CB ASN A 7 18.653 8.052 -8.819 1.00 62.13 C ATOM 105 CG ASN A 7 19.529 7.232 -9.746 1.00 63.52 C ATOM 106 OD1 ASN A 7 20.347 7.776 -10.489 1.00 33.41 O ATOM 107 ND2 ASN A 7 19.362 5.915 -9.707 1.00 32.22 N ATOM 0 H ASN A 7 19.087 6.085 -6.356 1.00 51.12 H new ATOM 0 HA ASN A 7 20.158 7.784 -7.309 1.00 32.12 H new ATOM 0 HB2 ASN A 7 17.617 7.728 -8.921 1.00 62.13 H new ATOM 0 HB3 ASN A 7 18.691 9.099 -9.120 1.00 62.13 H new ATOM 0 HD21 ASN A 7 19.923 5.312 -10.308 1.00 32.22 H new ATOM 0 HD22 ASN A 7 18.672 5.507 -9.076 1.00 32.22 H new ATOM 114 N LEU A 8 19.275 9.351 -5.400 1.00 12.50 N ATOM 115 CA LEU A 8 19.023 10.531 -4.579 1.00 64.02 C ATOM 116 C LEU A 8 20.305 11.331 -4.368 1.00 70.22 C ATOM 117 O LEU A 8 20.820 11.415 -3.254 1.00 53.51 O ATOM 118 CB LEU A 8 18.437 10.120 -3.228 1.00 14.45 C ATOM 119 CG LEU A 8 17.288 9.112 -3.273 1.00 24.42 C ATOM 120 CD1 LEU A 8 17.085 8.472 -1.908 1.00 2.51 C ATOM 121 CD2 LEU A 8 16.007 9.783 -3.746 1.00 21.14 C ATOM 0 H LEU A 8 19.893 8.662 -4.971 1.00 12.50 H new ATOM 0 HA LEU A 8 18.305 11.162 -5.103 1.00 64.02 H new ATOM 0 HB2 LEU A 8 19.238 9.700 -2.620 1.00 14.45 H new ATOM 0 HB3 LEU A 8 18.087 11.018 -2.718 1.00 14.45 H new ATOM 0 HG LEU A 8 17.547 8.327 -3.984 1.00 24.42 H new ATOM 0 HD11 LEU A 8 16.263 7.758 -1.960 1.00 2.51 H new ATOM 0 HD12 LEU A 8 17.997 7.955 -1.609 1.00 2.51 H new ATOM 0 HD13 LEU A 8 16.849 9.244 -1.176 1.00 2.51 H new ATOM 0 HD21 LEU A 8 15.200 9.050 -3.772 1.00 21.14 H new ATOM 0 HD22 LEU A 8 15.744 10.589 -3.061 1.00 21.14 H new ATOM 0 HD23 LEU A 8 16.158 10.192 -4.745 1.00 21.14 H new ATOM 161 N ALA A 12 17.195 15.581 -3.987 1.00 12.42 N ATOM 162 CA ALA A 12 15.923 14.870 -3.938 1.00 44.10 C ATOM 163 C ALA A 12 16.032 13.610 -3.086 1.00 13.22 C ATOM 164 O ALA A 12 16.610 12.610 -3.509 1.00 42.42 O ATOM 165 CB ALA A 12 15.460 14.520 -5.344 1.00 41.24 C ATOM 0 HA ALA A 12 15.185 15.526 -3.477 1.00 44.10 H new ATOM 0 HB1 ALA A 12 14.509 13.989 -5.292 1.00 41.24 H new ATOM 0 HB2 ALA A 12 15.334 15.434 -5.924 1.00 41.24 H new ATOM 0 HB3 ALA A 12 16.204 13.885 -5.825 1.00 41.24 H new ATOM 171 N GLY A 13 15.471 13.666 -1.881 1.00 63.23 N ATOM 172 CA GLY A 13 15.517 12.523 -0.988 1.00 71.34 C ATOM 173 C GLY A 13 14.155 12.176 -0.420 1.00 60.13 C ATOM 174 O GLY A 13 13.189 12.005 -1.164 1.00 33.01 O ATOM 0 H GLY A 13 14.986 14.482 -1.508 1.00 63.23 H new ATOM 0 HA2 GLY A 13 15.913 11.662 -1.526 1.00 71.34 H new ATOM 0 HA3 GLY A 13 16.206 12.733 -0.170 1.00 71.34 H new ATOM 178 N LYS A 14 14.077 12.070 0.902 1.00 72.22 N ATOM 179 CA LYS A 14 12.824 11.741 1.571 1.00 73.44 C ATOM 180 C LYS A 14 11.786 12.837 1.352 1.00 72.21 C ATOM 181 O LYS A 14 10.654 12.563 0.954 1.00 3.20 O ATOM 182 CB LYS A 14 13.059 11.538 3.069 1.00 4.31 C ATOM 183 CG LYS A 14 12.006 10.673 3.739 1.00 24.50 C ATOM 184 CD LYS A 14 11.354 11.392 4.907 1.00 13.14 C ATOM 185 CE LYS A 14 10.050 10.724 5.315 1.00 34.13 C ATOM 186 NZ LYS A 14 9.175 11.644 6.094 1.00 22.33 N ATOM 0 H LYS A 14 14.867 12.207 1.532 1.00 72.22 H new ATOM 0 HA LYS A 14 12.444 10.814 1.141 1.00 73.44 H new ATOM 0 HB2 LYS A 14 14.038 11.082 3.216 1.00 4.31 H new ATOM 0 HB3 LYS A 14 13.083 12.511 3.559 1.00 4.31 H new ATOM 0 HG2 LYS A 14 11.244 10.396 3.010 1.00 24.50 H new ATOM 0 HG3 LYS A 14 12.463 9.748 4.090 1.00 24.50 H new ATOM 0 HD2 LYS A 14 12.038 11.405 5.755 1.00 13.14 H new ATOM 0 HD3 LYS A 14 11.163 12.430 4.636 1.00 13.14 H new ATOM 0 HE2 LYS A 14 9.520 10.387 4.424 1.00 34.13 H new ATOM 0 HE3 LYS A 14 10.267 9.838 5.911 1.00 34.13 H new ATOM 0 HZ1 LYS A 14 8.548 11.088 6.710 1.00 22.33 H new ATOM 0 HZ2 LYS A 14 9.764 12.273 6.676 1.00 22.33 H new ATOM 0 HZ3 LYS A 14 8.601 12.214 5.440 1.00 22.33 H new ATOM 200 N GLY A 15 12.180 14.080 1.614 1.00 72.54 N ATOM 201 CA GLY A 15 11.272 15.198 1.438 1.00 50.00 C ATOM 202 C GLY A 15 10.789 15.334 0.007 1.00 4.05 C ATOM 203 O GLY A 15 9.604 15.556 -0.235 1.00 52.23 O ATOM 0 H GLY A 15 13.111 14.332 1.945 1.00 72.54 H new ATOM 0 HA2 GLY A 15 10.413 15.072 2.097 1.00 50.00 H new ATOM 0 HA3 GLY A 15 11.772 16.119 1.738 1.00 50.00 H new ATOM 207 N GLU A 16 11.711 15.202 -0.941 1.00 41.15 N ATOM 208 CA GLU A 16 11.372 15.314 -2.355 1.00 43.53 C ATOM 209 C GLU A 16 10.365 14.242 -2.760 1.00 62.14 C ATOM 210 O GLU A 16 9.281 14.548 -3.259 1.00 45.33 O ATOM 211 CB GLU A 16 12.632 15.197 -3.215 1.00 43.44 C ATOM 212 CG GLU A 16 12.377 15.396 -4.700 1.00 34.21 C ATOM 213 CD GLU A 16 12.897 16.726 -5.209 1.00 1.01 C ATOM 214 OE1 GLU A 16 13.964 17.168 -4.733 1.00 73.31 O ATOM 215 OE2 GLU A 16 12.237 17.325 -6.084 1.00 0.13 O ATOM 0 H GLU A 16 12.697 15.018 -0.756 1.00 41.15 H new ATOM 0 HA GLU A 16 10.920 16.292 -2.517 1.00 43.53 H new ATOM 0 HB2 GLU A 16 13.361 15.934 -2.878 1.00 43.44 H new ATOM 0 HB3 GLU A 16 13.077 14.214 -3.060 1.00 43.44 H new ATOM 0 HG2 GLU A 16 12.851 14.588 -5.257 1.00 34.21 H new ATOM 0 HG3 GLU A 16 11.306 15.331 -4.893 1.00 34.21 H new ATOM 222 N LEU A 17 10.731 12.983 -2.543 1.00 12.40 N ATOM 223 CA LEU A 17 9.861 11.864 -2.885 1.00 75.24 C ATOM 224 C LEU A 17 8.562 11.919 -2.087 1.00 2.33 C ATOM 225 O LEU A 17 7.521 11.450 -2.544 1.00 52.45 O ATOM 226 CB LEU A 17 10.577 10.537 -2.625 1.00 14.41 C ATOM 227 CG LEU A 17 10.434 9.963 -1.215 1.00 1.31 C ATOM 228 CD1 LEU A 17 9.207 9.070 -1.124 1.00 32.11 C ATOM 229 CD2 LEU A 17 11.687 9.193 -0.824 1.00 11.15 C ATOM 0 H LEU A 17 11.624 12.712 -2.132 1.00 12.40 H new ATOM 0 HA LEU A 17 9.617 11.937 -3.945 1.00 75.24 H new ATOM 0 HB2 LEU A 17 10.203 9.800 -3.336 1.00 14.41 H new ATOM 0 HB3 LEU A 17 11.638 10.672 -2.835 1.00 14.41 H new ATOM 0 HG LEU A 17 10.307 10.791 -0.517 1.00 1.31 H new ATOM 0 HD11 LEU A 17 9.122 8.671 -0.113 1.00 32.11 H new ATOM 0 HD12 LEU A 17 8.316 9.651 -1.361 1.00 32.11 H new ATOM 0 HD13 LEU A 17 9.303 8.247 -1.832 1.00 32.11 H new ATOM 0 HD21 LEU A 17 11.568 8.791 0.182 1.00 11.15 H new ATOM 0 HD22 LEU A 17 11.844 8.374 -1.525 1.00 11.15 H new ATOM 0 HD23 LEU A 17 12.547 9.862 -0.848 1.00 11.15 H new ATOM 241 N GLU A 18 8.633 12.497 -0.892 1.00 13.44 N ATOM 242 CA GLU A 18 7.462 12.615 -0.030 1.00 51.05 C ATOM 243 C GLU A 18 6.412 13.525 -0.661 1.00 72.03 C ATOM 244 O GLU A 18 5.255 13.136 -0.825 1.00 23.32 O ATOM 245 CB GLU A 18 7.864 13.157 1.343 1.00 53.22 C ATOM 246 CG GLU A 18 6.682 13.433 2.258 1.00 43.44 C ATOM 247 CD GLU A 18 6.799 12.723 3.592 1.00 23.11 C ATOM 248 OE1 GLU A 18 6.702 11.478 3.611 1.00 35.12 O ATOM 249 OE2 GLU A 18 6.988 13.411 4.617 1.00 41.13 O ATOM 0 H GLU A 18 9.488 12.891 -0.499 1.00 13.44 H new ATOM 0 HA GLU A 18 7.031 11.621 0.092 1.00 51.05 H new ATOM 0 HB2 GLU A 18 8.528 12.441 1.827 1.00 53.22 H new ATOM 0 HB3 GLU A 18 8.432 14.078 1.209 1.00 53.22 H new ATOM 0 HG2 GLU A 18 6.602 14.507 2.428 1.00 43.44 H new ATOM 0 HG3 GLU A 18 5.763 13.119 1.763 1.00 43.44 H new ATOM 256 N ARG A 19 6.823 14.739 -1.013 1.00 24.31 N ATOM 257 CA ARG A 19 5.919 15.705 -1.624 1.00 12.12 C ATOM 258 C ARG A 19 5.421 15.204 -2.977 1.00 5.53 C ATOM 259 O ARG A 19 4.255 15.385 -3.326 1.00 23.31 O ATOM 260 CB ARG A 19 6.619 17.055 -1.793 1.00 71.34 C ATOM 261 CG ARG A 19 5.823 18.055 -2.615 1.00 74.15 C ATOM 262 CD ARG A 19 6.305 19.478 -2.381 1.00 60.14 C ATOM 263 NE ARG A 19 7.595 19.730 -3.018 1.00 2.04 N ATOM 264 CZ ARG A 19 7.736 20.008 -4.309 1.00 10.11 C ATOM 265 NH1 ARG A 19 6.672 20.070 -5.097 1.00 74.21 N ATOM 266 NH2 ARG A 19 8.944 20.226 -4.814 1.00 75.32 N ATOM 0 H ARG A 19 7.777 15.077 -0.885 1.00 24.31 H new ATOM 0 HA ARG A 19 5.060 15.829 -0.964 1.00 12.12 H new ATOM 0 HB2 ARG A 19 6.813 17.480 -0.808 1.00 71.34 H new ATOM 0 HB3 ARG A 19 7.587 16.896 -2.268 1.00 71.34 H new ATOM 0 HG2 ARG A 19 5.911 17.809 -3.673 1.00 74.15 H new ATOM 0 HG3 ARG A 19 4.767 17.981 -2.357 1.00 74.15 H new ATOM 0 HD2 ARG A 19 5.566 20.179 -2.768 1.00 60.14 H new ATOM 0 HD3 ARG A 19 6.388 19.661 -1.310 1.00 60.14 H new ATOM 0 HE ARG A 19 8.434 19.690 -2.439 1.00 2.04 H new ATOM 0 HH11 ARG A 19 5.742 19.904 -4.712 1.00 74.21 H new ATOM 0 HH12 ARG A 19 6.783 20.284 -6.088 1.00 74.21 H new ATOM 0 HH21 ARG A 19 9.765 20.180 -4.210 1.00 75.32 H new ATOM 0 HH22 ARG A 19 9.051 20.439 -5.806 1.00 75.32 H new ATOM 280 N ALA A 20 6.315 14.576 -3.734 1.00 34.31 N ATOM 281 CA ALA A 20 5.966 14.048 -5.047 1.00 63.12 C ATOM 282 C ALA A 20 4.917 12.947 -4.936 1.00 25.42 C ATOM 283 O ALA A 20 3.789 13.101 -5.403 1.00 32.20 O ATOM 284 CB ALA A 20 7.209 13.526 -5.753 1.00 2.31 C ATOM 0 H ALA A 20 7.285 14.421 -3.461 1.00 34.31 H new ATOM 0 HA ALA A 20 5.540 14.860 -5.636 1.00 63.12 H new ATOM 0 HB1 ALA A 20 6.934 13.135 -6.732 1.00 2.31 H new ATOM 0 HB2 ALA A 20 7.926 14.338 -5.875 1.00 2.31 H new ATOM 0 HB3 ALA A 20 7.659 12.731 -5.158 1.00 2.31 H new ATOM 290 N PHE A 21 5.297 11.835 -4.315 1.00 23.21 N ATOM 291 CA PHE A 21 4.390 10.706 -4.144 1.00 15.42 C ATOM 292 C PHE A 21 3.069 11.159 -3.527 1.00 42.33 C ATOM 293 O PHE A 21 1.993 10.800 -4.005 1.00 61.01 O ATOM 294 CB PHE A 21 5.035 9.634 -3.264 1.00 0.13 C ATOM 295 CG PHE A 21 5.887 8.663 -4.030 1.00 31.22 C ATOM 296 CD1 PHE A 21 6.829 9.115 -4.940 1.00 55.11 C ATOM 297 CD2 PHE A 21 5.747 7.298 -3.839 1.00 74.33 C ATOM 298 CE1 PHE A 21 7.613 8.223 -5.647 1.00 0.41 C ATOM 299 CE2 PHE A 21 6.529 6.401 -4.543 1.00 14.11 C ATOM 300 CZ PHE A 21 7.464 6.865 -5.447 1.00 72.12 C ATOM 0 H PHE A 21 6.227 11.692 -3.922 1.00 23.21 H new ATOM 0 HA PHE A 21 4.186 10.284 -5.128 1.00 15.42 H new ATOM 0 HB2 PHE A 21 5.646 10.119 -2.503 1.00 0.13 H new ATOM 0 HB3 PHE A 21 4.252 9.085 -2.742 1.00 0.13 H new ATOM 0 HD1 PHE A 21 6.952 10.176 -5.099 1.00 55.11 H new ATOM 0 HD2 PHE A 21 5.018 6.930 -3.132 1.00 74.33 H new ATOM 0 HE1 PHE A 21 8.342 8.588 -6.356 1.00 0.41 H new ATOM 0 HE2 PHE A 21 6.409 5.339 -4.386 1.00 14.11 H new ATOM 0 HZ PHE A 21 8.078 6.167 -5.997 1.00 72.12 H new ATOM 310 N SER A 22 3.160 11.950 -2.463 1.00 24.12 N ATOM 311 CA SER A 22 1.974 12.449 -1.777 1.00 70.13 C ATOM 312 C SER A 22 1.082 13.232 -2.736 1.00 1.44 C ATOM 313 O SER A 22 -0.139 13.072 -2.737 1.00 4.24 O ATOM 314 CB SER A 22 2.376 13.335 -0.597 1.00 0.12 C ATOM 315 OG SER A 22 1.263 14.056 -0.098 1.00 33.12 O ATOM 0 H SER A 22 4.043 12.259 -2.057 1.00 24.12 H new ATOM 0 HA SER A 22 1.413 11.593 -1.403 1.00 70.13 H new ATOM 0 HB2 SER A 22 2.800 12.719 0.196 1.00 0.12 H new ATOM 0 HB3 SER A 22 3.154 14.032 -0.910 1.00 0.12 H new ATOM 0 HG SER A 22 1.546 14.614 0.657 1.00 33.12 H new ATOM 321 N TYR A 23 1.701 14.080 -3.550 1.00 11.12 N ATOM 322 CA TYR A 23 0.964 14.891 -4.512 1.00 4.32 C ATOM 323 C TYR A 23 0.234 14.011 -5.521 1.00 63.52 C ATOM 324 O TYR A 23 -0.902 14.294 -5.902 1.00 21.41 O ATOM 325 CB TYR A 23 1.914 15.843 -5.241 1.00 63.45 C ATOM 326 CG TYR A 23 1.957 17.231 -4.645 1.00 12.32 C ATOM 327 CD1 TYR A 23 2.018 17.416 -3.269 1.00 42.43 C ATOM 328 CD2 TYR A 23 1.937 18.358 -5.457 1.00 53.52 C ATOM 329 CE1 TYR A 23 2.056 18.683 -2.720 1.00 44.30 C ATOM 330 CE2 TYR A 23 1.976 19.629 -4.917 1.00 1.33 C ATOM 331 CZ TYR A 23 2.035 19.786 -3.548 1.00 4.53 C ATOM 332 OH TYR A 23 2.075 21.050 -3.005 1.00 12.25 O ATOM 0 H TYR A 23 2.711 14.224 -3.563 1.00 11.12 H new ATOM 0 HA TYR A 23 0.224 15.475 -3.965 1.00 4.32 H new ATOM 0 HB2 TYR A 23 2.919 15.420 -5.228 1.00 63.45 H new ATOM 0 HB3 TYR A 23 1.612 15.915 -6.286 1.00 63.45 H new ATOM 0 HD1 TYR A 23 2.036 16.555 -2.618 1.00 42.43 H new ATOM 0 HD2 TYR A 23 1.890 18.238 -6.529 1.00 53.52 H new ATOM 0 HE1 TYR A 23 2.102 18.809 -1.648 1.00 44.30 H new ATOM 0 HE2 TYR A 23 1.960 20.494 -5.563 1.00 1.33 H new ATOM 0 HH TYR A 23 2.054 21.716 -3.724 1.00 12.25 H new ATOM 342 N TYR A 24 0.895 12.941 -5.950 1.00 42.10 N ATOM 343 CA TYR A 24 0.311 12.019 -6.916 1.00 64.55 C ATOM 344 C TYR A 24 -0.776 11.166 -6.268 1.00 45.44 C ATOM 345 O TYR A 24 -1.791 10.857 -6.890 1.00 61.42 O ATOM 346 CB TYR A 24 1.395 11.117 -7.511 1.00 54.35 C ATOM 347 CG TYR A 24 2.090 11.718 -8.712 1.00 73.24 C ATOM 348 CD1 TYR A 24 2.940 12.808 -8.574 1.00 54.42 C ATOM 349 CD2 TYR A 24 1.896 11.196 -9.985 1.00 70.33 C ATOM 350 CE1 TYR A 24 3.576 13.361 -9.669 1.00 4.14 C ATOM 351 CE2 TYR A 24 2.530 11.741 -11.085 1.00 74.20 C ATOM 352 CZ TYR A 24 3.369 12.823 -10.922 1.00 14.43 C ATOM 353 OH TYR A 24 4.001 13.370 -12.015 1.00 15.30 O ATOM 0 H TYR A 24 1.835 12.691 -5.644 1.00 42.10 H new ATOM 0 HA TYR A 24 -0.142 12.608 -7.714 1.00 64.55 H new ATOM 0 HB2 TYR A 24 2.137 10.900 -6.743 1.00 54.35 H new ATOM 0 HB3 TYR A 24 0.947 10.166 -7.799 1.00 54.35 H new ATOM 0 HD1 TYR A 24 3.107 13.230 -7.594 1.00 54.42 H new ATOM 0 HD2 TYR A 24 1.238 10.350 -10.117 1.00 70.33 H new ATOM 0 HE1 TYR A 24 4.232 14.210 -9.544 1.00 4.14 H new ATOM 0 HE2 TYR A 24 2.369 11.322 -12.067 1.00 74.20 H new ATOM 0 HH TYR A 24 3.749 12.873 -12.821 1.00 15.30 H new ATOM 363 N GLY A 25 -0.554 10.791 -5.012 1.00 61.12 N ATOM 364 CA GLY A 25 -1.522 9.979 -4.299 1.00 31.31 C ATOM 365 C GLY A 25 -1.147 9.773 -2.845 1.00 20.42 C ATOM 366 O GLY A 25 -0.075 10.177 -2.395 1.00 24.22 O ATOM 0 H GLY A 25 0.279 11.035 -4.476 1.00 61.12 H new ATOM 0 HA2 GLY A 25 -2.501 10.454 -4.355 1.00 31.31 H new ATOM 0 HA3 GLY A 25 -1.610 9.009 -4.789 1.00 31.31 H new ATOM 370 N PRO A 26 -2.045 9.131 -2.083 1.00 73.31 N ATOM 371 CA PRO A 26 -1.826 8.858 -0.660 1.00 4.34 C ATOM 372 C PRO A 26 -0.739 7.813 -0.430 1.00 42.53 C ATOM 373 O PRO A 26 -0.839 6.683 -0.910 1.00 1.25 O ATOM 374 CB PRO A 26 -3.182 8.331 -0.186 1.00 14.53 C ATOM 375 CG PRO A 26 -3.818 7.767 -1.409 1.00 50.43 C ATOM 376 CD PRO A 26 -3.344 8.621 -2.553 1.00 74.01 C ATOM 0 HA PRO A 26 -1.487 9.744 -0.124 1.00 4.34 H new ATOM 0 HB2 PRO A 26 -3.063 7.570 0.585 1.00 14.53 H new ATOM 0 HB3 PRO A 26 -3.788 9.128 0.244 1.00 14.53 H new ATOM 0 HG2 PRO A 26 -3.530 6.726 -1.554 1.00 50.43 H new ATOM 0 HG3 PRO A 26 -4.905 7.789 -1.329 1.00 50.43 H new ATOM 0 HD2 PRO A 26 -3.240 8.042 -3.471 1.00 74.01 H new ATOM 0 HD3 PRO A 26 -4.041 9.432 -2.765 1.00 74.01 H new ATOM 384 N LEU A 27 0.299 8.197 0.305 1.00 14.52 N ATOM 385 CA LEU A 27 1.405 7.293 0.599 1.00 72.11 C ATOM 386 C LEU A 27 1.077 6.402 1.793 1.00 64.12 C ATOM 387 O LEU A 27 0.408 6.829 2.733 1.00 33.14 O ATOM 388 CB LEU A 27 2.681 8.090 0.877 1.00 33.42 C ATOM 389 CG LEU A 27 3.682 8.178 -0.275 1.00 73.13 C ATOM 390 CD1 LEU A 27 4.877 9.031 0.120 1.00 21.11 C ATOM 391 CD2 LEU A 27 4.133 6.787 -0.698 1.00 11.34 C ATOM 0 H LEU A 27 0.398 9.129 0.708 1.00 14.52 H new ATOM 0 HA LEU A 27 1.564 6.657 -0.272 1.00 72.11 H new ATOM 0 HB2 LEU A 27 2.398 9.103 1.164 1.00 33.42 H new ATOM 0 HB3 LEU A 27 3.184 7.645 1.735 1.00 33.42 H new ATOM 0 HG LEU A 27 3.189 8.652 -1.124 1.00 73.13 H new ATOM 0 HD11 LEU A 27 5.579 9.082 -0.713 1.00 21.11 H new ATOM 0 HD12 LEU A 27 4.539 10.036 0.372 1.00 21.11 H new ATOM 0 HD13 LEU A 27 5.371 8.587 0.984 1.00 21.11 H new ATOM 0 HD21 LEU A 27 4.845 6.869 -1.519 1.00 11.34 H new ATOM 0 HD22 LEU A 27 4.608 6.286 0.146 1.00 11.34 H new ATOM 0 HD23 LEU A 27 3.269 6.208 -1.024 1.00 11.34 H new ATOM 403 N ARG A 28 1.556 5.163 1.749 1.00 70.23 N ATOM 404 CA ARG A 28 1.315 4.212 2.827 1.00 30.12 C ATOM 405 C ARG A 28 2.518 4.135 3.763 1.00 33.10 C ATOM 406 O ARG A 28 2.377 4.230 4.983 1.00 71.12 O ATOM 407 CB ARG A 28 1.011 2.826 2.255 1.00 13.04 C ATOM 408 CG ARG A 28 0.649 1.796 3.314 1.00 45.45 C ATOM 409 CD ARG A 28 -0.642 2.162 4.028 1.00 20.24 C ATOM 410 NE ARG A 28 -0.405 2.579 5.408 1.00 42.23 N ATOM 411 CZ ARG A 28 -0.013 1.751 6.369 1.00 20.32 C ATOM 412 NH1 ARG A 28 0.185 0.467 6.103 1.00 41.12 N ATOM 413 NH2 ARG A 28 0.182 2.206 7.600 1.00 21.13 N ATOM 0 H ARG A 28 2.113 4.795 0.978 1.00 70.23 H new ATOM 0 HA ARG A 28 0.454 4.559 3.398 1.00 30.12 H new ATOM 0 HB2 ARG A 28 0.189 2.908 1.544 1.00 13.04 H new ATOM 0 HB3 ARG A 28 1.880 2.473 1.699 1.00 13.04 H new ATOM 0 HG2 ARG A 28 0.544 0.816 2.849 1.00 45.45 H new ATOM 0 HG3 ARG A 28 1.458 1.719 4.040 1.00 45.45 H new ATOM 0 HD2 ARG A 28 -1.140 2.966 3.487 1.00 20.24 H new ATOM 0 HD3 ARG A 28 -1.317 1.306 4.019 1.00 20.24 H new ATOM 0 HE ARG A 28 -0.549 3.560 5.646 1.00 42.23 H new ATOM 0 HH11 ARG A 28 0.036 0.113 5.158 1.00 41.12 H new ATOM 0 HH12 ARG A 28 0.486 -0.167 6.843 1.00 41.12 H new ATOM 0 HH21 ARG A 28 0.031 3.193 7.809 1.00 21.13 H new ATOM 0 HH22 ARG A 28 0.483 1.569 8.337 1.00 21.13 H new ATOM 427 N THR A 29 3.702 3.962 3.184 1.00 72.53 N ATOM 428 CA THR A 29 4.929 3.870 3.965 1.00 73.01 C ATOM 429 C THR A 29 6.122 4.401 3.179 1.00 70.34 C ATOM 430 O THR A 29 6.322 4.043 2.018 1.00 64.31 O ATOM 431 CB THR A 29 5.215 2.418 4.393 1.00 41.31 C ATOM 432 OG1 THR A 29 4.143 1.565 3.978 1.00 32.44 O ATOM 433 CG2 THR A 29 5.392 2.324 5.901 1.00 74.51 C ATOM 0 H THR A 29 3.837 3.883 2.176 1.00 72.53 H new ATOM 0 HA THR A 29 4.783 4.481 4.856 1.00 73.01 H new ATOM 0 HB THR A 29 6.140 2.096 3.914 1.00 41.31 H new ATOM 0 HG1 THR A 29 4.333 0.644 4.252 1.00 32.44 H new ATOM 0 HG21 THR A 29 5.593 1.290 6.180 1.00 74.51 H new ATOM 0 HG22 THR A 29 6.228 2.952 6.209 1.00 74.51 H new ATOM 0 HG23 THR A 29 4.482 2.663 6.396 1.00 74.51 H new ATOM 441 N VAL A 30 6.913 5.256 3.818 1.00 10.43 N ATOM 442 CA VAL A 30 8.088 5.835 3.179 1.00 44.52 C ATOM 443 C VAL A 30 9.355 5.513 3.963 1.00 4.53 C ATOM 444 O VAL A 30 9.407 5.694 5.180 1.00 41.52 O ATOM 445 CB VAL A 30 7.957 7.364 3.042 1.00 61.02 C ATOM 446 CG1 VAL A 30 7.717 8.003 4.401 1.00 42.41 C ATOM 447 CG2 VAL A 30 9.196 7.948 2.380 1.00 24.52 C ATOM 0 H VAL A 30 6.761 5.563 4.779 1.00 10.43 H new ATOM 0 HA VAL A 30 8.157 5.393 2.185 1.00 44.52 H new ATOM 0 HB VAL A 30 7.098 7.582 2.408 1.00 61.02 H new ATOM 0 HG11 VAL A 30 7.627 9.083 4.284 1.00 42.41 H new ATOM 0 HG12 VAL A 30 6.798 7.607 4.832 1.00 42.41 H new ATOM 0 HG13 VAL A 30 8.554 7.778 5.062 1.00 42.41 H new ATOM 0 HG21 VAL A 30 9.086 9.029 2.291 1.00 24.52 H new ATOM 0 HG22 VAL A 30 10.073 7.721 2.986 1.00 24.52 H new ATOM 0 HG23 VAL A 30 9.318 7.513 1.388 1.00 24.52 H new ATOM 457 N TRP A 31 10.375 5.036 3.259 1.00 70.00 N ATOM 458 CA TRP A 31 11.643 4.689 3.890 1.00 64.12 C ATOM 459 C TRP A 31 12.818 5.061 2.992 1.00 51.14 C ATOM 460 O TRP A 31 12.694 5.074 1.767 1.00 62.25 O ATOM 461 CB TRP A 31 11.685 3.194 4.211 1.00 73.01 C ATOM 462 CG TRP A 31 12.359 2.885 5.513 1.00 21.51 C ATOM 463 CD1 TRP A 31 11.827 3.018 6.764 1.00 40.13 C ATOM 464 CD2 TRP A 31 13.691 2.392 5.692 1.00 24.32 C ATOM 465 NE1 TRP A 31 12.748 2.638 7.710 1.00 63.24 N ATOM 466 CE2 TRP A 31 13.900 2.249 7.078 1.00 32.40 C ATOM 467 CE3 TRP A 31 14.728 2.055 4.817 1.00 14.32 C ATOM 468 CZ2 TRP A 31 15.102 1.785 7.606 1.00 40.23 C ATOM 469 CZ3 TRP A 31 15.920 1.596 5.342 1.00 23.15 C ATOM 470 CH2 TRP A 31 16.099 1.463 6.726 1.00 45.41 C ATOM 0 H TRP A 31 10.349 4.881 2.251 1.00 70.00 H new ATOM 0 HA TRP A 31 11.725 5.255 4.818 1.00 64.12 H new ATOM 0 HB2 TRP A 31 10.667 2.806 4.236 1.00 73.01 H new ATOM 0 HB3 TRP A 31 12.205 2.672 3.408 1.00 73.01 H new ATOM 0 HD1 TRP A 31 10.829 3.370 6.978 1.00 40.13 H new ATOM 0 HE1 TRP A 31 12.599 2.644 8.719 1.00 63.24 H new ATOM 0 HE3 TRP A 31 14.599 2.152 3.749 1.00 14.32 H new ATOM 0 HZ2 TRP A 31 15.242 1.683 8.672 1.00 40.23 H new ATOM 0 HZ3 TRP A 31 16.728 1.335 4.675 1.00 23.15 H new ATOM 0 HH2 TRP A 31 17.043 1.099 7.105 1.00 45.41 H new ATOM 481 N ILE A 32 13.956 5.363 3.608 1.00 52.04 N ATOM 482 CA ILE A 32 15.152 5.734 2.862 1.00 2.02 C ATOM 483 C ILE A 32 16.350 4.895 3.292 1.00 23.55 C ATOM 484 O ILE A 32 16.461 4.501 4.453 1.00 12.43 O ATOM 485 CB ILE A 32 15.491 7.225 3.048 1.00 62.15 C ATOM 486 CG1 ILE A 32 14.222 8.074 2.955 1.00 11.32 C ATOM 487 CG2 ILE A 32 16.509 7.670 2.008 1.00 24.33 C ATOM 488 CD1 ILE A 32 13.546 8.006 1.604 1.00 42.04 C ATOM 0 H ILE A 32 14.075 5.358 4.621 1.00 52.04 H new ATOM 0 HA ILE A 32 14.939 5.546 1.810 1.00 2.02 H new ATOM 0 HB ILE A 32 15.927 7.363 4.038 1.00 62.15 H new ATOM 0 HG12 ILE A 32 13.519 7.746 3.721 1.00 11.32 H new ATOM 0 HG13 ILE A 32 14.472 9.112 3.175 1.00 11.32 H new ATOM 0 HG21 ILE A 32 16.739 8.726 2.152 1.00 24.33 H new ATOM 0 HG22 ILE A 32 17.421 7.082 2.116 1.00 24.33 H new ATOM 0 HG23 ILE A 32 16.098 7.521 1.010 1.00 24.33 H new ATOM 0 HD11 ILE A 32 12.654 8.632 1.612 1.00 42.04 H new ATOM 0 HD12 ILE A 32 14.232 8.362 0.835 1.00 42.04 H new ATOM 0 HD13 ILE A 32 13.264 6.975 1.390 1.00 42.04 H new ATOM 500 N ALA A 33 17.247 4.625 2.349 1.00 55.02 N ATOM 501 CA ALA A 33 18.439 3.836 2.631 1.00 70.41 C ATOM 502 C ALA A 33 19.686 4.713 2.653 1.00 13.43 C ATOM 503 O ALA A 33 20.178 5.135 1.607 1.00 41.32 O ATOM 504 CB ALA A 33 18.592 2.725 1.603 1.00 72.53 C ATOM 0 H ALA A 33 17.170 4.942 1.382 1.00 55.02 H new ATOM 0 HA ALA A 33 18.323 3.390 3.619 1.00 70.41 H new ATOM 0 HB1 ALA A 33 19.487 2.144 1.826 1.00 72.53 H new ATOM 0 HB2 ALA A 33 17.718 2.074 1.638 1.00 72.53 H new ATOM 0 HB3 ALA A 33 18.681 3.160 0.608 1.00 72.53 H new ATOM 510 N ARG A 34 20.191 4.985 3.852 1.00 10.01 N ATOM 511 CA ARG A 34 21.379 5.814 4.010 1.00 5.52 C ATOM 512 C ARG A 34 22.642 5.024 3.681 1.00 62.41 C ATOM 513 O ARG A 34 23.640 5.587 3.235 1.00 45.14 O ATOM 514 CB ARG A 34 21.463 6.357 5.438 1.00 15.11 C ATOM 515 CG ARG A 34 20.959 7.784 5.578 1.00 54.23 C ATOM 516 CD ARG A 34 20.954 8.234 7.030 1.00 34.34 C ATOM 517 NE ARG A 34 19.933 7.542 7.814 1.00 42.42 N ATOM 518 CZ ARG A 34 18.651 7.890 7.820 1.00 70.40 C ATOM 519 NH1 ARG A 34 18.234 8.914 7.088 1.00 25.31 N ATOM 520 NH2 ARG A 34 17.782 7.211 8.559 1.00 43.31 N ATOM 0 H ARG A 34 19.796 4.643 4.728 1.00 10.01 H new ATOM 0 HA ARG A 34 21.302 6.650 3.314 1.00 5.52 H new ATOM 0 HB2 ARG A 34 20.885 5.710 6.098 1.00 15.11 H new ATOM 0 HB3 ARG A 34 22.499 6.312 5.774 1.00 15.11 H new ATOM 0 HG2 ARG A 34 21.589 8.453 4.991 1.00 54.23 H new ATOM 0 HG3 ARG A 34 19.951 7.856 5.170 1.00 54.23 H new ATOM 0 HD2 ARG A 34 21.935 8.051 7.470 1.00 34.34 H new ATOM 0 HD3 ARG A 34 20.780 9.309 7.076 1.00 34.34 H new ATOM 0 HE ARG A 34 20.220 6.749 8.388 1.00 42.42 H new ATOM 0 HH11 ARG A 34 18.898 9.437 6.518 1.00 25.31 H new ATOM 0 HH12 ARG A 34 17.249 9.178 7.095 1.00 25.31 H new ATOM 0 HH21 ARG A 34 18.099 6.422 9.122 1.00 43.31 H new ATOM 0 HH22 ARG A 34 16.798 7.478 8.563 1.00 43.31 H new ATOM 534 N ASN A 35 22.590 3.715 3.905 1.00 33.42 N ATOM 535 CA ASN A 35 23.729 2.846 3.633 1.00 4.35 C ATOM 536 C ASN A 35 24.293 3.108 2.240 1.00 0.52 C ATOM 537 O ASN A 35 25.457 3.473 2.073 1.00 51.42 O ATOM 538 CB ASN A 35 23.320 1.378 3.762 1.00 24.43 C ATOM 539 CG ASN A 35 23.766 0.766 5.077 1.00 42.44 C ATOM 540 OD1 ASN A 35 23.611 1.370 6.139 1.00 63.54 O ATOM 541 ND2 ASN A 35 24.324 -0.437 5.010 1.00 34.13 N ATOM 0 H ASN A 35 21.771 3.233 4.274 1.00 33.42 H new ATOM 0 HA ASN A 35 24.505 3.066 4.367 1.00 4.35 H new ATOM 0 HB2 ASN A 35 22.236 1.297 3.676 1.00 24.43 H new ATOM 0 HB3 ASN A 35 23.749 0.810 2.936 1.00 24.43 H new ATOM 0 HD21 ASN A 35 24.645 -0.899 5.861 1.00 34.13 H new ATOM 0 HD22 ASN A 35 24.432 -0.900 4.107 1.00 34.13 H new ATOM 548 N PRO A 36 23.449 2.919 1.215 1.00 11.12 N ATOM 549 CA PRO A 36 23.840 3.130 -0.182 1.00 11.32 C ATOM 550 C PRO A 36 24.058 4.604 -0.506 1.00 41.21 C ATOM 551 O PRO A 36 23.742 5.492 0.286 1.00 55.44 O ATOM 552 CB PRO A 36 22.649 2.580 -0.971 1.00 21.25 C ATOM 553 CG PRO A 36 21.492 2.697 -0.040 1.00 34.21 C ATOM 554 CD PRO A 36 22.048 2.485 1.341 1.00 35.41 C ATOM 0 HA PRO A 36 24.786 2.644 -0.418 1.00 11.32 H new ATOM 0 HB2 PRO A 36 22.482 3.151 -1.884 1.00 21.25 H new ATOM 0 HB3 PRO A 36 22.815 1.545 -1.268 1.00 21.25 H new ATOM 0 HG2 PRO A 36 21.021 3.676 -0.125 1.00 34.21 H new ATOM 0 HG3 PRO A 36 20.728 1.954 -0.271 1.00 34.21 H new ATOM 0 HD2 PRO A 36 21.511 3.073 2.085 1.00 35.41 H new ATOM 0 HD3 PRO A 36 21.977 1.441 1.647 1.00 35.41 H new ATOM 562 N PRO A 37 24.611 4.873 -1.698 1.00 5.10 N ATOM 563 CA PRO A 37 24.883 6.239 -2.154 1.00 42.34 C ATOM 564 C PRO A 37 23.606 7.012 -2.463 1.00 54.25 C ATOM 565 O PRO A 37 23.531 8.221 -2.245 1.00 22.52 O ATOM 566 CB PRO A 37 25.704 6.031 -3.430 1.00 34.42 C ATOM 567 CG PRO A 37 25.305 4.681 -3.920 1.00 41.50 C ATOM 568 CD PRO A 37 25.014 3.864 -2.692 1.00 70.00 C ATOM 0 HA PRO A 37 25.395 6.828 -1.393 1.00 42.34 H new ATOM 0 HB2 PRO A 37 25.487 6.801 -4.170 1.00 34.42 H new ATOM 0 HB3 PRO A 37 26.774 6.078 -3.225 1.00 34.42 H new ATOM 0 HG2 PRO A 37 24.428 4.743 -4.564 1.00 41.50 H new ATOM 0 HG3 PRO A 37 26.102 4.229 -4.510 1.00 41.50 H new ATOM 0 HD2 PRO A 37 24.221 3.138 -2.871 1.00 70.00 H new ATOM 0 HD3 PRO A 37 25.890 3.305 -2.364 1.00 70.00 H new ATOM 576 N GLY A 38 22.601 6.306 -2.973 1.00 53.24 N ATOM 577 CA GLY A 38 21.339 6.943 -3.304 1.00 3.12 C ATOM 578 C GLY A 38 20.251 5.940 -3.632 1.00 25.45 C ATOM 579 O GLY A 38 19.995 5.651 -4.801 1.00 13.05 O ATOM 0 H GLY A 38 22.638 5.305 -3.163 1.00 53.24 H new ATOM 0 HA2 GLY A 38 21.017 7.562 -2.466 1.00 3.12 H new ATOM 0 HA3 GLY A 38 21.484 7.608 -4.155 1.00 3.12 H new ATOM 583 N PHE A 39 19.611 5.405 -2.597 1.00 61.33 N ATOM 584 CA PHE A 39 18.546 4.425 -2.781 1.00 5.12 C ATOM 585 C PHE A 39 17.487 4.563 -1.691 1.00 62.42 C ATOM 586 O PHE A 39 17.800 4.550 -0.501 1.00 63.02 O ATOM 587 CB PHE A 39 19.122 3.007 -2.772 1.00 50.44 C ATOM 588 CG PHE A 39 19.761 2.612 -4.073 1.00 75.11 C ATOM 589 CD1 PHE A 39 19.117 2.851 -5.277 1.00 3.42 C ATOM 590 CD2 PHE A 39 21.004 2.001 -4.092 1.00 40.32 C ATOM 591 CE1 PHE A 39 19.702 2.488 -6.475 1.00 24.21 C ATOM 592 CE2 PHE A 39 21.594 1.636 -5.287 1.00 63.34 C ATOM 593 CZ PHE A 39 20.943 1.880 -6.480 1.00 51.34 C ATOM 0 H PHE A 39 19.811 5.633 -1.623 1.00 61.33 H new ATOM 0 HA PHE A 39 18.076 4.612 -3.746 1.00 5.12 H new ATOM 0 HB2 PHE A 39 19.861 2.929 -1.975 1.00 50.44 H new ATOM 0 HB3 PHE A 39 18.325 2.301 -2.539 1.00 50.44 H new ATOM 0 HD1 PHE A 39 18.147 3.326 -5.279 1.00 3.42 H new ATOM 0 HD2 PHE A 39 21.518 1.808 -3.162 1.00 40.32 H new ATOM 0 HE1 PHE A 39 19.190 2.679 -7.406 1.00 24.21 H new ATOM 0 HE2 PHE A 39 22.564 1.160 -5.288 1.00 63.34 H new ATOM 0 HZ PHE A 39 21.403 1.596 -7.415 1.00 51.34 H new ATOM 603 N ALA A 40 16.232 4.694 -2.108 1.00 1.42 N ATOM 604 CA ALA A 40 15.126 4.833 -1.169 1.00 30.14 C ATOM 605 C ALA A 40 13.976 3.900 -1.533 1.00 62.03 C ATOM 606 O ALA A 40 13.793 3.550 -2.699 1.00 42.14 O ATOM 607 CB ALA A 40 14.645 6.276 -1.129 1.00 21.13 C ATOM 0 H ALA A 40 15.956 4.707 -3.090 1.00 1.42 H new ATOM 0 HA ALA A 40 15.486 4.554 -0.179 1.00 30.14 H new ATOM 0 HB1 ALA A 40 13.819 6.365 -0.424 1.00 21.13 H new ATOM 0 HB2 ALA A 40 15.463 6.924 -0.813 1.00 21.13 H new ATOM 0 HB3 ALA A 40 14.308 6.575 -2.122 1.00 21.13 H new ATOM 613 N PHE A 41 13.204 3.500 -0.529 1.00 31.44 N ATOM 614 CA PHE A 41 12.072 2.605 -0.744 1.00 3.33 C ATOM 615 C PHE A 41 10.756 3.307 -0.423 1.00 12.10 C ATOM 616 O PHE A 41 10.691 4.152 0.470 1.00 41.10 O ATOM 617 CB PHE A 41 12.217 1.349 0.118 1.00 12.20 C ATOM 618 CG PHE A 41 12.457 0.099 -0.680 1.00 3.54 C ATOM 619 CD1 PHE A 41 13.441 0.062 -1.654 1.00 45.52 C ATOM 620 CD2 PHE A 41 11.699 -1.038 -0.455 1.00 71.22 C ATOM 621 CE1 PHE A 41 13.666 -1.086 -2.390 1.00 33.12 C ATOM 622 CE2 PHE A 41 11.919 -2.190 -1.187 1.00 52.43 C ATOM 623 CZ PHE A 41 12.903 -2.213 -2.157 1.00 34.24 C ATOM 0 H PHE A 41 13.341 3.781 0.442 1.00 31.44 H new ATOM 0 HA PHE A 41 12.063 2.317 -1.795 1.00 3.33 H new ATOM 0 HB2 PHE A 41 13.043 1.490 0.815 1.00 12.20 H new ATOM 0 HB3 PHE A 41 11.314 1.222 0.715 1.00 12.20 H new ATOM 0 HD1 PHE A 41 14.040 0.941 -1.841 1.00 45.52 H new ATOM 0 HD2 PHE A 41 10.927 -1.025 0.301 1.00 71.22 H new ATOM 0 HE1 PHE A 41 14.437 -1.102 -3.146 1.00 33.12 H new ATOM 0 HE2 PHE A 41 11.323 -3.071 -1.001 1.00 52.43 H new ATOM 0 HZ PHE A 41 13.075 -3.111 -2.732 1.00 34.24 H new ATOM 633 N VAL A 42 9.708 2.951 -1.159 1.00 34.12 N ATOM 634 CA VAL A 42 8.392 3.545 -0.954 1.00 1.15 C ATOM 635 C VAL A 42 7.293 2.492 -1.045 1.00 42.31 C ATOM 636 O VAL A 42 7.445 1.482 -1.730 1.00 73.43 O ATOM 637 CB VAL A 42 8.111 4.656 -1.983 1.00 60.41 C ATOM 638 CG1 VAL A 42 8.255 6.027 -1.342 1.00 4.40 C ATOM 639 CG2 VAL A 42 9.038 4.518 -3.181 1.00 61.23 C ATOM 0 H VAL A 42 9.745 2.254 -1.903 1.00 34.12 H new ATOM 0 HA VAL A 42 8.393 3.979 0.046 1.00 1.15 H new ATOM 0 HB VAL A 42 7.084 4.552 -2.333 1.00 60.41 H new ATOM 0 HG11 VAL A 42 8.053 6.799 -2.085 1.00 4.40 H new ATOM 0 HG12 VAL A 42 7.546 6.120 -0.519 1.00 4.40 H new ATOM 0 HG13 VAL A 42 9.270 6.146 -0.962 1.00 4.40 H new ATOM 0 HG21 VAL A 42 8.826 5.311 -3.898 1.00 61.23 H new ATOM 0 HG22 VAL A 42 10.074 4.595 -2.850 1.00 61.23 H new ATOM 0 HG23 VAL A 42 8.879 3.549 -3.654 1.00 61.23 H new ATOM 649 N GLU A 43 6.187 2.738 -0.350 1.00 71.50 N ATOM 650 CA GLU A 43 5.062 1.809 -0.353 1.00 42.52 C ATOM 651 C GLU A 43 3.746 2.550 -0.571 1.00 40.40 C ATOM 652 O GLU A 43 3.360 3.401 0.231 1.00 55.13 O ATOM 653 CB GLU A 43 5.010 1.032 0.963 1.00 24.44 C ATOM 654 CG GLU A 43 6.371 0.552 1.441 1.00 73.42 C ATOM 655 CD GLU A 43 7.072 -0.323 0.420 1.00 40.14 C ATOM 656 OE1 GLU A 43 6.404 -1.194 -0.175 1.00 52.13 O ATOM 657 OE2 GLU A 43 8.290 -0.136 0.216 1.00 51.44 O ATOM 0 H GLU A 43 6.046 3.571 0.221 1.00 71.50 H new ATOM 0 HA GLU A 43 5.205 1.108 -1.175 1.00 42.52 H new ATOM 0 HB2 GLU A 43 4.567 1.665 1.732 1.00 24.44 H new ATOM 0 HB3 GLU A 43 4.353 0.171 0.841 1.00 24.44 H new ATOM 0 HG2 GLU A 43 6.998 1.415 1.666 1.00 73.42 H new ATOM 0 HG3 GLU A 43 6.250 -0.005 2.370 1.00 73.42 H new ATOM 664 N PHE A 44 3.062 2.221 -1.662 1.00 1.31 N ATOM 665 CA PHE A 44 1.790 2.856 -1.987 1.00 61.22 C ATOM 666 C PHE A 44 0.621 1.931 -1.659 1.00 4.20 C ATOM 667 O PHE A 44 0.514 0.833 -2.204 1.00 11.31 O ATOM 668 CB PHE A 44 1.751 3.240 -3.468 1.00 23.42 C ATOM 669 CG PHE A 44 1.812 4.722 -3.705 1.00 35.52 C ATOM 670 CD1 PHE A 44 0.952 5.579 -3.037 1.00 31.31 C ATOM 671 CD2 PHE A 44 2.728 5.257 -4.595 1.00 1.40 C ATOM 672 CE1 PHE A 44 1.005 6.943 -3.254 1.00 32.42 C ATOM 673 CE2 PHE A 44 2.786 6.621 -4.816 1.00 30.33 C ATOM 674 CZ PHE A 44 1.924 7.464 -4.143 1.00 52.43 C ATOM 0 H PHE A 44 3.367 1.519 -2.336 1.00 1.31 H new ATOM 0 HA PHE A 44 1.698 3.758 -1.382 1.00 61.22 H new ATOM 0 HB2 PHE A 44 2.587 2.763 -3.981 1.00 23.42 H new ATOM 0 HB3 PHE A 44 0.837 2.846 -3.913 1.00 23.42 H new ATOM 0 HD1 PHE A 44 0.232 5.177 -2.339 1.00 31.31 H new ATOM 0 HD2 PHE A 44 3.405 4.602 -5.123 1.00 1.40 H new ATOM 0 HE1 PHE A 44 0.328 7.601 -2.729 1.00 32.42 H new ATOM 0 HE2 PHE A 44 3.504 7.026 -5.514 1.00 30.33 H new ATOM 0 HZ PHE A 44 1.969 8.530 -4.312 1.00 52.43 H new ATOM 684 N GLU A 45 -0.251 2.384 -0.764 1.00 2.50 N ATOM 685 CA GLU A 45 -1.411 1.597 -0.362 1.00 44.41 C ATOM 686 C GLU A 45 -2.259 1.221 -1.573 1.00 52.33 C ATOM 687 O GLU A 45 -2.931 0.190 -1.578 1.00 22.51 O ATOM 688 CB GLU A 45 -2.258 2.376 0.646 1.00 33.44 C ATOM 689 CG GLU A 45 -2.526 3.813 0.235 1.00 54.50 C ATOM 690 CD GLU A 45 -3.993 4.185 0.335 1.00 72.05 C ATOM 691 OE1 GLU A 45 -4.511 4.260 1.468 1.00 11.41 O ATOM 692 OE2 GLU A 45 -4.623 4.401 -0.722 1.00 61.43 O ATOM 0 H GLU A 45 -0.176 3.291 -0.304 1.00 2.50 H new ATOM 0 HA GLU A 45 -1.052 0.681 0.107 1.00 44.41 H new ATOM 0 HB2 GLU A 45 -3.210 1.862 0.781 1.00 33.44 H new ATOM 0 HB3 GLU A 45 -1.753 2.372 1.612 1.00 33.44 H new ATOM 0 HG2 GLU A 45 -1.942 4.482 0.866 1.00 54.50 H new ATOM 0 HG3 GLU A 45 -2.186 3.963 -0.790 1.00 54.50 H new ATOM 699 N ASP A 46 -2.224 2.066 -2.598 1.00 64.21 N ATOM 700 CA ASP A 46 -2.988 1.823 -3.816 1.00 34.01 C ATOM 701 C ASP A 46 -2.067 1.744 -5.029 1.00 73.33 C ATOM 702 O ASP A 46 -1.049 2.431 -5.112 1.00 70.24 O ATOM 703 CB ASP A 46 -4.027 2.927 -4.020 1.00 31.12 C ATOM 704 CG ASP A 46 -5.440 2.384 -4.100 1.00 15.30 C ATOM 705 OD1 ASP A 46 -5.750 1.425 -3.363 1.00 11.32 O ATOM 706 OD2 ASP A 46 -6.237 2.918 -4.901 1.00 2.24 O ATOM 0 H ASP A 46 -1.675 2.925 -2.609 1.00 64.21 H new ATOM 0 HA ASP A 46 -3.501 0.867 -3.709 1.00 34.01 H new ATOM 0 HB2 ASP A 46 -3.961 3.640 -3.199 1.00 31.12 H new ATOM 0 HB3 ASP A 46 -3.798 3.473 -4.935 1.00 31.12 H new ATOM 711 N PRO A 47 -2.431 0.885 -5.993 1.00 63.14 N ATOM 712 CA PRO A 47 -1.650 0.695 -7.220 1.00 32.24 C ATOM 713 C PRO A 47 -1.713 1.908 -8.141 1.00 12.21 C ATOM 714 O PRO A 47 -0.698 2.335 -8.691 1.00 1.22 O ATOM 715 CB PRO A 47 -2.317 -0.514 -7.881 1.00 12.12 C ATOM 716 CG PRO A 47 -3.714 -0.507 -7.362 1.00 24.03 C ATOM 717 CD PRO A 47 -3.632 0.034 -5.961 1.00 21.20 C ATOM 0 HA PRO A 47 -0.590 0.553 -7.010 1.00 32.24 H new ATOM 0 HB2 PRO A 47 -2.298 -0.432 -8.968 1.00 12.12 H new ATOM 0 HB3 PRO A 47 -1.803 -1.440 -7.623 1.00 12.12 H new ATOM 0 HG2 PRO A 47 -4.358 0.115 -7.984 1.00 24.03 H new ATOM 0 HG3 PRO A 47 -4.138 -1.511 -7.369 1.00 24.03 H new ATOM 0 HD2 PRO A 47 -4.522 0.605 -5.698 1.00 21.20 H new ATOM 0 HD3 PRO A 47 -3.538 -0.766 -5.226 1.00 21.20 H new ATOM 725 N ARG A 48 -2.911 2.460 -8.305 1.00 34.54 N ATOM 726 CA ARG A 48 -3.106 3.624 -9.160 1.00 72.22 C ATOM 727 C ARG A 48 -2.109 4.726 -8.814 1.00 62.44 C ATOM 728 O ARG A 48 -1.539 5.362 -9.701 1.00 70.43 O ATOM 729 CB ARG A 48 -4.535 4.152 -9.021 1.00 0.43 C ATOM 730 CG ARG A 48 -4.836 5.339 -9.922 1.00 32.31 C ATOM 731 CD ARG A 48 -5.987 6.172 -9.380 1.00 72.21 C ATOM 732 NE ARG A 48 -7.139 5.348 -9.024 1.00 73.24 N ATOM 733 CZ ARG A 48 -8.228 5.824 -8.431 1.00 54.05 C ATOM 734 NH1 ARG A 48 -8.313 7.112 -8.130 1.00 15.31 N ATOM 735 NH2 ARG A 48 -9.236 5.011 -8.139 1.00 44.05 N ATOM 0 H ARG A 48 -3.761 2.119 -7.857 1.00 34.54 H new ATOM 0 HA ARG A 48 -2.938 3.317 -10.192 1.00 72.22 H new ATOM 0 HB2 ARG A 48 -5.234 3.347 -9.248 1.00 0.43 H new ATOM 0 HB3 ARG A 48 -4.707 4.441 -7.984 1.00 0.43 H new ATOM 0 HG2 ARG A 48 -3.946 5.962 -10.014 1.00 32.31 H new ATOM 0 HG3 ARG A 48 -5.082 4.984 -10.923 1.00 32.31 H new ATOM 0 HD2 ARG A 48 -5.652 6.725 -8.503 1.00 72.21 H new ATOM 0 HD3 ARG A 48 -6.285 6.908 -10.127 1.00 72.21 H new ATOM 0 HE ARG A 48 -7.105 4.352 -9.243 1.00 73.24 H new ATOM 0 HH11 ARG A 48 -7.541 7.740 -8.354 1.00 15.31 H new ATOM 0 HH12 ARG A 48 -9.150 7.475 -7.675 1.00 15.31 H new ATOM 0 HH21 ARG A 48 -9.175 4.019 -8.370 1.00 44.05 H new ATOM 0 HH22 ARG A 48 -10.072 5.378 -7.684 1.00 44.05 H new ATOM 749 N ASP A 49 -1.904 4.946 -7.521 1.00 24.24 N ATOM 750 CA ASP A 49 -0.975 5.970 -7.057 1.00 42.22 C ATOM 751 C ASP A 49 0.465 5.586 -7.384 1.00 10.12 C ATOM 752 O ASP A 49 1.290 6.443 -7.699 1.00 1.14 O ATOM 753 CB ASP A 49 -1.129 6.185 -5.551 1.00 13.12 C ATOM 754 CG ASP A 49 -2.581 6.299 -5.128 1.00 62.40 C ATOM 755 OD1 ASP A 49 -3.376 6.891 -5.888 1.00 21.22 O ATOM 756 OD2 ASP A 49 -2.922 5.795 -4.038 1.00 21.52 O ATOM 0 H ASP A 49 -2.369 4.429 -6.775 1.00 24.24 H new ATOM 0 HA ASP A 49 -1.211 6.900 -7.574 1.00 42.22 H new ATOM 0 HB2 ASP A 49 -0.663 5.356 -5.019 1.00 13.12 H new ATOM 0 HB3 ASP A 49 -0.597 7.090 -5.260 1.00 13.12 H new ATOM 761 N ALA A 50 0.759 4.292 -7.305 1.00 43.52 N ATOM 762 CA ALA A 50 2.099 3.795 -7.593 1.00 73.03 C ATOM 763 C ALA A 50 2.415 3.900 -9.081 1.00 44.42 C ATOM 764 O ALA A 50 3.514 4.301 -9.464 1.00 1.02 O ATOM 765 CB ALA A 50 2.239 2.355 -7.122 1.00 64.05 C ATOM 0 H ALA A 50 0.088 3.570 -7.044 1.00 43.52 H new ATOM 0 HA ALA A 50 2.814 4.414 -7.052 1.00 73.03 H new ATOM 0 HB1 ALA A 50 3.244 1.996 -7.343 1.00 64.05 H new ATOM 0 HB2 ALA A 50 2.064 2.305 -6.047 1.00 64.05 H new ATOM 0 HB3 ALA A 50 1.509 1.731 -7.638 1.00 64.05 H new ATOM 771 N GLU A 51 1.446 3.538 -9.915 1.00 73.41 N ATOM 772 CA GLU A 51 1.623 3.591 -11.361 1.00 65.55 C ATOM 773 C GLU A 51 1.756 5.033 -11.841 1.00 2.21 C ATOM 774 O GLU A 51 2.657 5.362 -12.613 1.00 22.51 O ATOM 775 CB GLU A 51 0.447 2.913 -12.067 1.00 51.23 C ATOM 776 CG GLU A 51 0.838 1.667 -12.843 1.00 64.04 C ATOM 777 CD GLU A 51 -0.325 0.715 -13.044 1.00 40.44 C ATOM 778 OE1 GLU A 51 -0.702 0.027 -12.073 1.00 71.10 O ATOM 779 OE2 GLU A 51 -0.858 0.659 -14.172 1.00 60.12 O ATOM 0 H GLU A 51 0.530 3.205 -9.614 1.00 73.41 H new ATOM 0 HA GLU A 51 2.541 3.058 -11.608 1.00 65.55 H new ATOM 0 HB2 GLU A 51 -0.306 2.647 -11.325 1.00 51.23 H new ATOM 0 HB3 GLU A 51 -0.015 3.626 -12.750 1.00 51.23 H new ATOM 0 HG2 GLU A 51 1.236 1.959 -13.815 1.00 64.04 H new ATOM 0 HG3 GLU A 51 1.638 1.150 -12.313 1.00 64.04 H new ATOM 786 N ASP A 52 0.852 5.890 -11.378 1.00 63.51 N ATOM 787 CA ASP A 52 0.868 7.297 -11.758 1.00 54.34 C ATOM 788 C ASP A 52 2.131 7.984 -11.249 1.00 12.12 C ATOM 789 O ASP A 52 2.738 8.790 -11.953 1.00 12.51 O ATOM 790 CB ASP A 52 -0.371 8.009 -11.211 1.00 62.13 C ATOM 791 CG ASP A 52 -1.626 7.669 -11.991 1.00 44.24 C ATOM 792 OD1 ASP A 52 -1.754 6.508 -12.431 1.00 33.43 O ATOM 793 OD2 ASP A 52 -2.479 8.565 -12.163 1.00 44.33 O ATOM 0 H ASP A 52 0.099 5.634 -10.739 1.00 63.51 H new ATOM 0 HA ASP A 52 0.860 7.354 -12.846 1.00 54.34 H new ATOM 0 HB2 ASP A 52 -0.511 7.736 -10.165 1.00 62.13 H new ATOM 0 HB3 ASP A 52 -0.210 9.087 -11.240 1.00 62.13 H new ATOM 798 N ALA A 53 2.520 7.659 -10.020 1.00 43.53 N ATOM 799 CA ALA A 53 3.711 8.244 -9.417 1.00 3.20 C ATOM 800 C ALA A 53 4.967 7.850 -10.187 1.00 51.35 C ATOM 801 O ALA A 53 5.747 8.707 -10.603 1.00 51.31 O ATOM 802 CB ALA A 53 3.828 7.819 -7.961 1.00 2.03 C ATOM 0 H ALA A 53 2.028 6.994 -9.423 1.00 43.53 H new ATOM 0 HA ALA A 53 3.615 9.329 -9.461 1.00 3.20 H new ATOM 0 HB1 ALA A 53 4.722 8.263 -7.523 1.00 2.03 H new ATOM 0 HB2 ALA A 53 2.949 8.156 -7.412 1.00 2.03 H new ATOM 0 HB3 ALA A 53 3.897 6.733 -7.903 1.00 2.03 H new ATOM 808 N VAL A 54 5.157 6.548 -10.374 1.00 72.04 N ATOM 809 CA VAL A 54 6.318 6.040 -11.095 1.00 51.55 C ATOM 810 C VAL A 54 6.350 6.568 -12.526 1.00 23.34 C ATOM 811 O VAL A 54 7.274 7.283 -12.913 1.00 41.15 O ATOM 812 CB VAL A 54 6.330 4.501 -11.127 1.00 71.43 C ATOM 813 CG1 VAL A 54 7.514 3.992 -11.935 1.00 41.23 C ATOM 814 CG2 VAL A 54 6.358 3.939 -9.714 1.00 10.12 C ATOM 0 H VAL A 54 4.521 5.825 -10.036 1.00 72.04 H new ATOM 0 HA VAL A 54 7.201 6.391 -10.561 1.00 51.55 H new ATOM 0 HB VAL A 54 5.416 4.159 -11.612 1.00 71.43 H new ATOM 0 HG11 VAL A 54 7.505 2.902 -11.946 1.00 41.23 H new ATOM 0 HG12 VAL A 54 7.445 4.366 -12.957 1.00 41.23 H new ATOM 0 HG13 VAL A 54 8.441 4.343 -11.482 1.00 41.23 H new ATOM 0 HG21 VAL A 54 6.366 2.850 -9.756 1.00 10.12 H new ATOM 0 HG22 VAL A 54 7.254 4.289 -9.201 1.00 10.12 H new ATOM 0 HG23 VAL A 54 5.474 4.275 -9.171 1.00 10.12 H new ATOM 824 N ARG A 55 5.335 6.210 -13.305 1.00 63.14 N ATOM 825 CA ARG A 55 5.248 6.646 -14.694 1.00 13.54 C ATOM 826 C ARG A 55 5.413 8.160 -14.799 1.00 64.32 C ATOM 827 O ARG A 55 6.073 8.660 -15.709 1.00 40.21 O ATOM 828 CB ARG A 55 3.907 6.226 -15.299 1.00 41.10 C ATOM 829 CG ARG A 55 3.733 4.720 -15.407 1.00 62.00 C ATOM 830 CD ARG A 55 2.288 4.346 -15.698 1.00 64.51 C ATOM 831 NE ARG A 55 2.183 3.367 -16.777 1.00 62.01 N ATOM 832 CZ ARG A 55 2.328 3.671 -18.062 1.00 3.40 C ATOM 833 NH1 ARG A 55 2.584 4.920 -18.426 1.00 13.40 N ATOM 834 NH2 ARG A 55 2.218 2.725 -18.986 1.00 5.23 N ATOM 0 H ARG A 55 4.562 5.620 -12.999 1.00 63.14 H new ATOM 0 HA ARG A 55 6.055 6.170 -15.250 1.00 13.54 H new ATOM 0 HB2 ARG A 55 3.100 6.634 -14.691 1.00 41.10 H new ATOM 0 HB3 ARG A 55 3.812 6.666 -16.292 1.00 41.10 H new ATOM 0 HG2 ARG A 55 4.376 4.334 -16.198 1.00 62.00 H new ATOM 0 HG3 ARG A 55 4.052 4.248 -14.478 1.00 62.00 H new ATOM 0 HD2 ARG A 55 1.829 3.942 -14.796 1.00 64.51 H new ATOM 0 HD3 ARG A 55 1.728 5.242 -15.966 1.00 64.51 H new ATOM 0 HE ARG A 55 1.988 2.397 -16.530 1.00 62.01 H new ATOM 0 HH11 ARG A 55 2.670 5.650 -17.719 1.00 13.40 H new ATOM 0 HH12 ARG A 55 2.695 5.151 -19.413 1.00 13.40 H new ATOM 0 HH21 ARG A 55 2.022 1.763 -18.710 1.00 5.23 H new ATOM 0 HH22 ARG A 55 2.330 2.960 -19.972 1.00 5.23 H new ATOM 848 N GLY A 56 4.809 8.883 -13.862 1.00 11.15 N ATOM 849 CA GLY A 56 4.901 10.331 -13.868 1.00 0.44 C ATOM 850 C GLY A 56 6.296 10.825 -13.541 1.00 4.03 C ATOM 851 O GLY A 56 6.994 11.357 -14.406 1.00 33.32 O ATOM 0 H GLY A 56 4.257 8.492 -13.098 1.00 11.15 H new ATOM 0 HA2 GLY A 56 4.606 10.707 -14.848 1.00 0.44 H new ATOM 0 HA3 GLY A 56 4.195 10.740 -13.145 1.00 0.44 H new ATOM 855 N LEU A 57 6.705 10.651 -12.289 1.00 4.22 N ATOM 856 CA LEU A 57 8.027 11.085 -11.848 1.00 71.55 C ATOM 857 C LEU A 57 9.111 10.570 -12.791 1.00 14.42 C ATOM 858 O LEU A 57 9.894 11.349 -13.335 1.00 60.53 O ATOM 859 CB LEU A 57 8.298 10.594 -10.425 1.00 42.11 C ATOM 860 CG LEU A 57 7.250 10.966 -9.376 1.00 2.52 C ATOM 861 CD1 LEU A 57 7.123 9.866 -8.334 1.00 25.11 C ATOM 862 CD2 LEU A 57 7.604 12.291 -8.715 1.00 22.20 C ATOM 0 H LEU A 57 6.141 10.213 -11.561 1.00 4.22 H new ATOM 0 HA LEU A 57 8.048 12.175 -11.860 1.00 71.55 H new ATOM 0 HB2 LEU A 57 8.390 9.508 -10.448 1.00 42.11 H new ATOM 0 HB3 LEU A 57 9.262 10.989 -10.103 1.00 42.11 H new ATOM 0 HG LEU A 57 6.288 11.077 -9.876 1.00 2.52 H new ATOM 0 HD11 LEU A 57 6.372 10.149 -7.596 1.00 25.11 H new ATOM 0 HD12 LEU A 57 6.822 8.938 -8.820 1.00 25.11 H new ATOM 0 HD13 LEU A 57 8.083 9.722 -7.838 1.00 25.11 H new ATOM 0 HD21 LEU A 57 6.847 12.540 -7.971 1.00 22.20 H new ATOM 0 HD22 LEU A 57 8.576 12.207 -8.229 1.00 22.20 H new ATOM 0 HD23 LEU A 57 7.642 13.076 -9.471 1.00 22.20 H new ATOM 874 N ASP A 58 9.148 9.256 -12.980 1.00 53.11 N ATOM 875 CA ASP A 58 10.133 8.638 -13.860 1.00 20.24 C ATOM 876 C ASP A 58 9.970 9.135 -15.293 1.00 31.43 C ATOM 877 O ASP A 58 10.951 9.332 -16.008 1.00 24.14 O ATOM 878 CB ASP A 58 10.002 7.115 -13.817 1.00 32.53 C ATOM 879 CG ASP A 58 11.314 6.412 -14.107 1.00 14.02 C ATOM 880 OD1 ASP A 58 12.331 7.110 -14.301 1.00 12.41 O ATOM 881 OD2 ASP A 58 11.323 5.164 -14.139 1.00 22.11 O ATOM 0 H ASP A 58 8.508 8.598 -12.536 1.00 53.11 H new ATOM 0 HA ASP A 58 11.125 8.920 -13.508 1.00 20.24 H new ATOM 0 HB2 ASP A 58 9.640 6.812 -12.834 1.00 32.53 H new ATOM 0 HB3 ASP A 58 9.254 6.797 -14.544 1.00 32.53 H new ATOM 886 N GLY A 59 8.722 9.334 -15.706 1.00 70.13 N ATOM 887 CA GLY A 59 8.453 9.805 -17.052 1.00 71.45 C ATOM 888 C GLY A 59 8.845 11.256 -17.249 1.00 21.45 C ATOM 889 O GLY A 59 9.008 11.716 -18.379 1.00 31.41 O ATOM 0 H GLY A 59 7.893 9.178 -15.133 1.00 70.13 H new ATOM 0 HA2 GLY A 59 8.996 9.185 -17.766 1.00 71.45 H new ATOM 0 HA3 GLY A 59 7.392 9.686 -17.270 1.00 71.45 H new ATOM 893 N LYS A 60 8.996 11.980 -16.145 1.00 50.31 N ATOM 894 CA LYS A 60 9.371 13.388 -16.199 1.00 50.32 C ATOM 895 C LYS A 60 9.914 13.859 -14.854 1.00 33.24 C ATOM 896 O LYS A 60 9.221 13.798 -13.838 1.00 13.41 O ATOM 897 CB LYS A 60 8.167 14.243 -16.603 1.00 22.24 C ATOM 898 CG LYS A 60 8.396 15.059 -17.863 1.00 13.11 C ATOM 899 CD LYS A 60 9.495 16.090 -17.668 1.00 12.02 C ATOM 900 CE LYS A 60 9.011 17.271 -16.841 1.00 12.14 C ATOM 901 NZ LYS A 60 9.022 18.538 -17.623 1.00 74.03 N ATOM 0 H LYS A 60 8.864 11.615 -15.202 1.00 50.31 H new ATOM 0 HA LYS A 60 10.156 13.500 -16.947 1.00 50.32 H new ATOM 0 HB2 LYS A 60 7.305 13.593 -16.753 1.00 22.24 H new ATOM 0 HB3 LYS A 60 7.920 14.918 -15.783 1.00 22.24 H new ATOM 0 HG2 LYS A 60 8.661 14.394 -18.685 1.00 13.11 H new ATOM 0 HG3 LYS A 60 7.471 15.561 -18.145 1.00 13.11 H new ATOM 0 HD2 LYS A 60 10.349 15.625 -17.175 1.00 12.02 H new ATOM 0 HD3 LYS A 60 9.841 16.442 -18.640 1.00 12.02 H new ATOM 0 HE2 LYS A 60 8.000 17.074 -16.483 1.00 12.14 H new ATOM 0 HE3 LYS A 60 9.645 17.382 -15.961 1.00 12.14 H new ATOM 0 HZ1 LYS A 60 8.685 19.319 -17.024 1.00 74.03 H new ATOM 0 HZ2 LYS A 60 9.991 18.740 -17.943 1.00 74.03 H new ATOM 0 HZ3 LYS A 60 8.398 18.442 -18.449 1.00 74.03 H new ATOM 915 N VAL A 61 11.157 14.329 -14.854 1.00 1.12 N ATOM 916 CA VAL A 61 11.792 14.813 -13.633 1.00 73.44 C ATOM 917 C VAL A 61 10.877 15.773 -12.881 1.00 73.44 C ATOM 918 O VAL A 61 10.044 16.452 -13.483 1.00 30.41 O ATOM 919 CB VAL A 61 13.124 15.523 -13.937 1.00 62.23 C ATOM 920 CG1 VAL A 61 14.006 14.650 -14.817 1.00 23.12 C ATOM 921 CG2 VAL A 61 12.871 16.872 -14.594 1.00 21.44 C ATOM 0 H VAL A 61 11.745 14.385 -15.686 1.00 1.12 H new ATOM 0 HA VAL A 61 11.988 13.940 -13.011 1.00 73.44 H new ATOM 0 HB VAL A 61 13.647 15.695 -12.996 1.00 62.23 H new ATOM 0 HG11 VAL A 61 14.943 15.168 -15.021 1.00 23.12 H new ATOM 0 HG12 VAL A 61 14.215 13.711 -14.305 1.00 23.12 H new ATOM 0 HG13 VAL A 61 13.493 14.444 -15.756 1.00 23.12 H new ATOM 0 HG21 VAL A 61 13.823 17.360 -14.802 1.00 21.44 H new ATOM 0 HG22 VAL A 61 12.327 16.726 -15.527 1.00 21.44 H new ATOM 0 HG23 VAL A 61 12.281 17.498 -13.924 1.00 21.44 H new ATOM 931 N ILE A 62 11.037 15.824 -11.563 1.00 45.15 N ATOM 932 CA ILE A 62 10.227 16.702 -10.729 1.00 52.43 C ATOM 933 C ILE A 62 11.087 17.762 -10.048 1.00 73.34 C ATOM 934 O ILE A 62 12.042 17.440 -9.340 1.00 74.43 O ATOM 935 CB ILE A 62 9.462 15.909 -9.653 1.00 71.15 C ATOM 936 CG1 ILE A 62 8.760 16.865 -8.687 1.00 34.42 C ATOM 937 CG2 ILE A 62 10.410 14.988 -8.901 1.00 21.43 C ATOM 938 CD1 ILE A 62 9.532 17.108 -7.409 1.00 62.43 C ATOM 0 H ILE A 62 11.721 15.267 -11.050 1.00 45.15 H new ATOM 0 HA ILE A 62 9.509 17.189 -11.389 1.00 52.43 H new ATOM 0 HB ILE A 62 8.704 15.297 -10.143 1.00 71.15 H new ATOM 0 HG12 ILE A 62 8.594 17.818 -9.189 1.00 34.42 H new ATOM 0 HG13 ILE A 62 7.779 16.461 -8.438 1.00 34.42 H new ATOM 0 HG21 ILE A 62 9.855 14.434 -8.144 1.00 21.43 H new ATOM 0 HG22 ILE A 62 10.868 14.288 -9.600 1.00 21.43 H new ATOM 0 HG23 ILE A 62 11.188 15.581 -8.420 1.00 21.43 H new ATOM 0 HD11 ILE A 62 8.975 17.795 -6.772 1.00 62.43 H new ATOM 0 HD12 ILE A 62 9.675 16.163 -6.885 1.00 62.43 H new ATOM 0 HD13 ILE A 62 10.503 17.541 -7.647 1.00 62.43 H new ATOM 950 N CYS A 63 10.741 19.026 -10.266 1.00 31.31 N ATOM 951 CA CYS A 63 11.481 20.134 -9.672 1.00 73.22 C ATOM 952 C CYS A 63 12.983 19.950 -9.865 1.00 55.21 C ATOM 953 O CYS A 63 13.771 20.206 -8.956 1.00 64.04 O ATOM 954 CB CYS A 63 11.156 20.251 -8.182 1.00 62.32 C ATOM 955 SG CYS A 63 11.082 21.952 -7.574 1.00 74.13 S ATOM 0 H CYS A 63 9.953 19.309 -10.849 1.00 31.31 H new ATOM 0 HA CYS A 63 11.178 21.052 -10.175 1.00 73.22 H new ATOM 0 HB2 CYS A 63 10.199 19.766 -7.991 1.00 62.32 H new ATOM 0 HB3 CYS A 63 11.909 19.706 -7.613 1.00 62.32 H new ATOM 0 HG CYS A 63 10.799 21.947 -6.305 1.00 74.13 H new ATOM 961 N GLY A 64 13.371 19.503 -11.056 1.00 11.23 N ATOM 962 CA GLY A 64 14.777 19.291 -11.346 1.00 31.11 C ATOM 963 C GLY A 64 15.337 18.073 -10.639 1.00 24.03 C ATOM 964 O GLY A 64 16.511 18.047 -10.270 1.00 24.43 O ATOM 0 H GLY A 64 12.737 19.284 -11.824 1.00 11.23 H new ATOM 0 HA2 GLY A 64 14.910 19.176 -12.422 1.00 31.11 H new ATOM 0 HA3 GLY A 64 15.343 20.173 -11.048 1.00 31.11 H new ATOM 968 N SER A 65 14.496 17.062 -10.448 1.00 12.03 N ATOM 969 CA SER A 65 14.912 15.837 -9.775 1.00 5.32 C ATOM 970 C SER A 65 14.581 14.612 -10.622 1.00 12.34 C ATOM 971 O SER A 65 13.442 14.144 -10.637 1.00 2.52 O ATOM 972 CB SER A 65 14.234 15.725 -8.408 1.00 3.20 C ATOM 973 OG SER A 65 14.203 16.980 -7.750 1.00 21.22 O ATOM 0 H SER A 65 13.522 17.067 -10.750 1.00 12.03 H new ATOM 0 HA SER A 65 15.992 15.878 -9.634 1.00 5.32 H new ATOM 0 HB2 SER A 65 13.218 15.351 -8.532 1.00 3.20 H new ATOM 0 HB3 SER A 65 14.767 15.001 -7.792 1.00 3.20 H new ATOM 0 HG SER A 65 13.372 17.448 -7.977 1.00 21.22 H new ATOM 979 N ARG A 66 15.584 14.098 -11.325 1.00 42.13 N ATOM 980 CA ARG A 66 15.400 12.928 -12.176 1.00 1.50 C ATOM 981 C ARG A 66 15.515 11.642 -11.364 1.00 32.14 C ATOM 982 O ARG A 66 16.311 10.760 -11.687 1.00 1.35 O ATOM 983 CB ARG A 66 16.432 12.925 -13.305 1.00 42.11 C ATOM 984 CG ARG A 66 17.871 12.917 -12.815 1.00 50.51 C ATOM 985 CD ARG A 66 18.666 14.072 -13.404 1.00 1.21 C ATOM 986 NE ARG A 66 20.050 13.698 -13.682 1.00 3.23 N ATOM 987 CZ ARG A 66 20.992 13.620 -12.748 1.00 32.40 C ATOM 988 NH1 ARG A 66 20.699 13.887 -11.483 1.00 24.13 N ATOM 989 NH2 ARG A 66 22.229 13.272 -13.079 1.00 51.21 N ATOM 0 H ARG A 66 16.533 14.473 -11.323 1.00 42.13 H new ATOM 0 HA ARG A 66 14.400 12.977 -12.607 1.00 1.50 H new ATOM 0 HB2 ARG A 66 16.267 12.051 -13.935 1.00 42.11 H new ATOM 0 HB3 ARG A 66 16.275 13.803 -13.931 1.00 42.11 H new ATOM 0 HG2 ARG A 66 17.886 12.981 -11.727 1.00 50.51 H new ATOM 0 HG3 ARG A 66 18.344 11.973 -13.086 1.00 50.51 H new ATOM 0 HD2 ARG A 66 18.189 14.408 -14.325 1.00 1.21 H new ATOM 0 HD3 ARG A 66 18.650 14.914 -12.711 1.00 1.21 H new ATOM 0 HE ARG A 66 20.308 13.485 -14.646 1.00 3.23 H new ATOM 0 HH11 ARG A 66 19.749 14.153 -11.225 1.00 24.13 H new ATOM 0 HH12 ARG A 66 21.424 13.826 -10.768 1.00 24.13 H new ATOM 0 HH21 ARG A 66 22.457 13.064 -14.051 1.00 51.21 H new ATOM 0 HH22 ARG A 66 22.951 13.212 -12.361 1.00 51.21 H new ATOM 1003 N VAL A 67 14.714 11.542 -10.307 1.00 62.42 N ATOM 1004 CA VAL A 67 14.725 10.363 -9.449 1.00 2.22 C ATOM 1005 C VAL A 67 14.388 9.104 -10.239 1.00 50.14 C ATOM 1006 O VAL A 67 13.740 9.170 -11.284 1.00 64.14 O ATOM 1007 CB VAL A 67 13.727 10.508 -8.284 1.00 63.34 C ATOM 1008 CG1 VAL A 67 13.934 9.400 -7.263 1.00 62.20 C ATOM 1009 CG2 VAL A 67 13.863 11.876 -7.634 1.00 12.12 C ATOM 0 H VAL A 67 14.050 12.263 -10.025 1.00 62.42 H new ATOM 0 HA VAL A 67 15.734 10.275 -9.045 1.00 2.22 H new ATOM 0 HB VAL A 67 12.716 10.419 -8.681 1.00 63.34 H new ATOM 0 HG11 VAL A 67 13.220 9.519 -6.448 1.00 62.20 H new ATOM 0 HG12 VAL A 67 13.782 8.432 -7.741 1.00 62.20 H new ATOM 0 HG13 VAL A 67 14.949 9.454 -6.868 1.00 62.20 H new ATOM 0 HG21 VAL A 67 13.151 11.961 -6.813 1.00 12.12 H new ATOM 0 HG22 VAL A 67 14.876 11.997 -7.250 1.00 12.12 H new ATOM 0 HG23 VAL A 67 13.660 12.652 -8.373 1.00 12.12 H new ATOM 1019 N ARG A 68 14.831 7.958 -9.733 1.00 61.14 N ATOM 1020 CA ARG A 68 14.577 6.683 -10.393 1.00 31.32 C ATOM 1021 C ARG A 68 13.537 5.872 -9.625 1.00 71.34 C ATOM 1022 O ARG A 68 13.830 5.302 -8.574 1.00 43.31 O ATOM 1023 CB ARG A 68 15.874 5.881 -10.517 1.00 51.24 C ATOM 1024 CG ARG A 68 16.709 6.259 -11.730 1.00 23.13 C ATOM 1025 CD ARG A 68 16.123 5.686 -13.011 1.00 10.04 C ATOM 1026 NE ARG A 68 16.061 4.227 -12.980 1.00 11.35 N ATOM 1027 CZ ARG A 68 15.726 3.483 -14.028 1.00 13.51 C ATOM 1028 NH1 ARG A 68 15.424 4.059 -15.184 1.00 24.32 N ATOM 1029 NH2 ARG A 68 15.692 2.161 -13.921 1.00 51.32 N ATOM 0 H ARG A 68 15.367 7.886 -8.868 1.00 61.14 H new ATOM 0 HA ARG A 68 14.189 6.889 -11.390 1.00 31.32 H new ATOM 0 HB2 ARG A 68 16.470 6.028 -9.616 1.00 51.24 H new ATOM 0 HB3 ARG A 68 15.632 4.820 -10.570 1.00 51.24 H new ATOM 0 HG2 ARG A 68 16.767 7.345 -11.809 1.00 23.13 H new ATOM 0 HG3 ARG A 68 17.728 5.894 -11.600 1.00 23.13 H new ATOM 0 HD2 ARG A 68 15.121 6.088 -13.163 1.00 10.04 H new ATOM 0 HD3 ARG A 68 16.727 6.005 -13.860 1.00 10.04 H new ATOM 0 HE ARG A 68 16.287 3.753 -12.105 1.00 11.35 H new ATOM 0 HH11 ARG A 68 15.449 5.075 -15.269 1.00 24.32 H new ATOM 0 HH12 ARG A 68 15.167 3.486 -15.988 1.00 24.32 H new ATOM 0 HH21 ARG A 68 15.923 1.715 -13.033 1.00 51.32 H new ATOM 0 HH22 ARG A 68 15.435 1.591 -14.726 1.00 51.32 H new ATOM 1043 N VAL A 69 12.320 5.824 -10.158 1.00 50.13 N ATOM 1044 CA VAL A 69 11.236 5.083 -9.524 1.00 62.25 C ATOM 1045 C VAL A 69 10.898 3.822 -10.312 1.00 44.25 C ATOM 1046 O VAL A 69 10.835 3.845 -11.541 1.00 51.31 O ATOM 1047 CB VAL A 69 9.968 5.947 -9.391 1.00 22.21 C ATOM 1048 CG1 VAL A 69 8.959 5.276 -8.471 1.00 4.20 C ATOM 1049 CG2 VAL A 69 10.322 7.337 -8.885 1.00 21.14 C ATOM 0 H VAL A 69 12.060 6.290 -11.028 1.00 50.13 H new ATOM 0 HA VAL A 69 11.583 4.804 -8.529 1.00 62.25 H new ATOM 0 HB VAL A 69 9.513 6.049 -10.376 1.00 22.21 H new ATOM 0 HG11 VAL A 69 8.070 5.901 -8.389 1.00 4.20 H new ATOM 0 HG12 VAL A 69 8.683 4.304 -8.881 1.00 4.20 H new ATOM 0 HG13 VAL A 69 9.400 5.142 -7.483 1.00 4.20 H new ATOM 0 HG21 VAL A 69 9.414 7.934 -8.797 1.00 21.14 H new ATOM 0 HG22 VAL A 69 10.801 7.258 -7.909 1.00 21.14 H new ATOM 0 HG23 VAL A 69 11.005 7.816 -9.586 1.00 21.14 H new ATOM 1059 N GLU A 70 10.682 2.723 -9.596 1.00 41.33 N ATOM 1060 CA GLU A 70 10.351 1.452 -10.230 1.00 13.43 C ATOM 1061 C GLU A 70 9.521 0.578 -9.294 1.00 21.01 C ATOM 1062 O GLU A 70 9.507 0.787 -8.080 1.00 61.00 O ATOM 1063 CB GLU A 70 11.626 0.713 -10.639 1.00 5.21 C ATOM 1064 CG GLU A 70 11.852 0.674 -12.141 1.00 30.10 C ATOM 1065 CD GLU A 70 12.958 -0.284 -12.540 1.00 75.11 C ATOM 1066 OE1 GLU A 70 13.644 -0.808 -11.638 1.00 73.10 O ATOM 1067 OE2 GLU A 70 13.136 -0.510 -13.755 1.00 50.14 O ATOM 0 H GLU A 70 10.730 2.687 -8.578 1.00 41.33 H new ATOM 0 HA GLU A 70 9.761 1.663 -11.122 1.00 13.43 H new ATOM 0 HB2 GLU A 70 12.482 1.192 -10.164 1.00 5.21 H new ATOM 0 HB3 GLU A 70 11.581 -0.308 -10.260 1.00 5.21 H new ATOM 0 HG2 GLU A 70 10.926 0.381 -12.636 1.00 30.10 H new ATOM 0 HG3 GLU A 70 12.099 1.675 -12.494 1.00 30.10 H new ATOM 1074 N LEU A 71 8.830 -0.402 -9.867 1.00 4.44 N ATOM 1075 CA LEU A 71 7.997 -1.309 -9.085 1.00 1.41 C ATOM 1076 C LEU A 71 8.617 -2.701 -9.023 1.00 41.11 C ATOM 1077 O LEU A 71 8.628 -3.431 -10.014 1.00 42.12 O ATOM 1078 CB LEU A 71 6.593 -1.389 -9.687 1.00 22.40 C ATOM 1079 CG LEU A 71 5.459 -0.838 -8.822 1.00 42.21 C ATOM 1080 CD1 LEU A 71 5.734 0.609 -8.441 1.00 75.23 C ATOM 1081 CD2 LEU A 71 4.128 -0.957 -9.549 1.00 53.51 C ATOM 0 H LEU A 71 8.830 -0.589 -10.870 1.00 4.44 H new ATOM 0 HA LEU A 71 7.929 -0.917 -8.070 1.00 1.41 H new ATOM 0 HB2 LEU A 71 6.595 -0.850 -10.635 1.00 22.40 H new ATOM 0 HB3 LEU A 71 6.376 -2.433 -9.914 1.00 22.40 H new ATOM 0 HG LEU A 71 5.404 -1.429 -7.908 1.00 42.21 H new ATOM 0 HD11 LEU A 71 4.917 0.985 -7.826 1.00 75.23 H new ATOM 0 HD12 LEU A 71 6.667 0.667 -7.880 1.00 75.23 H new ATOM 0 HD13 LEU A 71 5.816 1.214 -9.344 1.00 75.23 H new ATOM 0 HD21 LEU A 71 3.332 -0.560 -8.919 1.00 53.51 H new ATOM 0 HD22 LEU A 71 4.170 -0.391 -10.480 1.00 53.51 H new ATOM 0 HD23 LEU A 71 3.927 -2.005 -9.770 1.00 53.51 H new ATOM 1093 N SER A 72 9.130 -3.063 -7.852 1.00 4.02 N ATOM 1094 CA SER A 72 9.754 -4.367 -7.661 1.00 33.43 C ATOM 1095 C SER A 72 8.700 -5.469 -7.599 1.00 21.04 C ATOM 1096 O SER A 72 8.977 -6.629 -7.907 1.00 5.34 O ATOM 1097 CB SER A 72 10.591 -4.374 -6.380 1.00 54.41 C ATOM 1098 OG SER A 72 11.439 -3.240 -6.319 1.00 53.05 O ATOM 0 H SER A 72 9.126 -2.472 -7.021 1.00 4.02 H new ATOM 0 HA SER A 72 10.406 -4.558 -8.513 1.00 33.43 H new ATOM 0 HB2 SER A 72 9.932 -4.387 -5.512 1.00 54.41 H new ATOM 0 HB3 SER A 72 11.191 -5.283 -6.339 1.00 54.41 H new ATOM 0 HG SER A 72 11.962 -3.267 -5.491 1.00 53.05 H new