USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 644 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 5 HIS : no HE2:sc= 0.537 K(o=0.54,f=-2!) USER MOD Single : A 12 HIS : no HD1:sc= 0.00199 X(o=0.002,f=-0.35) USER MOD Single : A 16 HIS : no HD1:sc= -0.0284 X(o=-0.028,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 34:sc= 0.0379 USER MOD Single : A 24 MET CE :methyl 163:sc= -0.143 (180deg=-0.57) USER MOD Single : A 27 CYS SG : rot -48:sc= -4.71! USER MOD Single : A 39 TYR OH : rot -108:sc= 0.197 USER MOD Single : A 40 LYS NZ :NH3+ 147:sc= -0.218 (180deg=-1.66!) USER MOD Single : A 43 GLN : amide:sc= 0.251 K(o=0.25,f=-0.52) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.37 X(o=0.37,f=0) USER MOD Single : A 59 HIS :FLIP no HD1:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 67 THR OG1 : rot 65:sc= 0.446 USER MOD Single : A 68 GLN : amide:sc= -0.236 X(o=-0.24,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 77 CYS SG : rot -41:sc= -2.97 USER MOD Single : A 83 CYS SG : rot 180:sc= -1.22 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N VAL A 4 -11.083 -11.967 -1.589 1.00 42.20 N ATOM 51 CA VAL A 4 -9.834 -11.200 -1.781 1.00 44.42 C ATOM 52 C VAL A 4 -9.573 -10.272 -0.561 1.00 54.32 C ATOM 53 O VAL A 4 -9.775 -9.047 -0.581 1.00 42.23 O ATOM 54 CB VAL A 4 -9.835 -10.449 -3.172 1.00 74.21 C ATOM 55 CG1 VAL A 4 -11.028 -9.472 -3.334 1.00 4.20 C ATOM 56 CG2 VAL A 4 -8.480 -9.761 -3.439 1.00 62.33 C ATOM 0 HA VAL A 4 -8.990 -11.889 -1.824 1.00 44.42 H new ATOM 0 HB VAL A 4 -9.974 -11.213 -3.937 1.00 74.21 H new ATOM 0 HG11 VAL A 4 -10.972 -8.988 -4.309 1.00 4.20 H new ATOM 0 HG12 VAL A 4 -11.964 -10.025 -3.257 1.00 4.20 H new ATOM 0 HG13 VAL A 4 -10.988 -8.715 -2.550 1.00 4.20 H new ATOM 0 HG21 VAL A 4 -8.513 -9.254 -4.403 1.00 62.33 H new ATOM 0 HG22 VAL A 4 -8.280 -9.033 -2.653 1.00 62.33 H new ATOM 0 HG23 VAL A 4 -7.688 -10.510 -3.450 1.00 62.33 H new ATOM 66 N HIS A 5 -9.189 -10.925 0.542 1.00 41.40 N ATOM 67 CA HIS A 5 -8.789 -10.260 1.796 1.00 64.33 C ATOM 68 C HIS A 5 -7.370 -9.671 1.640 1.00 74.22 C ATOM 69 O HIS A 5 -6.466 -10.366 1.159 1.00 32.24 O ATOM 70 CB HIS A 5 -8.767 -11.270 2.979 1.00 1.10 C ATOM 71 CG HIS A 5 -10.010 -12.104 3.149 1.00 72.12 C ATOM 72 ND1 HIS A 5 -11.129 -11.677 3.832 1.00 61.21 N ATOM 73 CD2 HIS A 5 -10.286 -13.373 2.760 1.00 71.20 C ATOM 74 CE1 HIS A 5 -12.025 -12.635 3.866 1.00 31.55 C ATOM 75 NE2 HIS A 5 -11.543 -13.674 3.222 1.00 4.01 N ATOM 0 H HIS A 5 -9.145 -11.943 0.593 1.00 41.40 H new ATOM 0 HA HIS A 5 -9.514 -9.473 2.005 1.00 64.33 H new ATOM 0 HB2 HIS A 5 -7.918 -11.940 2.845 1.00 1.10 H new ATOM 0 HB3 HIS A 5 -8.594 -10.717 3.902 1.00 1.10 H new ATOM 0 HD1 HIS A 5 -11.243 -10.753 4.249 1.00 61.21 H new ATOM 0 HD2 HIS A 5 -9.638 -14.025 2.193 1.00 71.20 H new ATOM 0 HE1 HIS A 5 -12.993 -12.579 4.342 1.00 31.55 H new ATOM 84 N ILE A 6 -7.166 -8.410 2.048 1.00 44.34 N ATOM 85 CA ILE A 6 -5.807 -7.834 2.102 1.00 21.11 C ATOM 86 C ILE A 6 -5.068 -8.385 3.337 1.00 33.32 C ATOM 87 O ILE A 6 -5.253 -7.904 4.458 1.00 64.33 O ATOM 88 CB ILE A 6 -5.808 -6.265 2.090 1.00 63.34 C ATOM 89 CG1 ILE A 6 -6.600 -5.752 0.842 1.00 24.21 C ATOM 90 CG2 ILE A 6 -4.353 -5.722 2.098 1.00 3.33 C ATOM 91 CD1 ILE A 6 -6.618 -4.252 0.639 1.00 0.34 C ATOM 0 H ILE A 6 -7.909 -7.775 2.342 1.00 44.34 H new ATOM 0 HA ILE A 6 -5.280 -8.136 1.197 1.00 21.11 H new ATOM 0 HB ILE A 6 -6.302 -5.896 2.989 1.00 63.34 H new ATOM 0 HG12 ILE A 6 -6.175 -6.214 -0.049 1.00 24.21 H new ATOM 0 HG13 ILE A 6 -7.630 -6.101 0.921 1.00 24.21 H new ATOM 0 HG21 ILE A 6 -4.371 -4.632 2.089 1.00 3.33 H new ATOM 0 HG22 ILE A 6 -3.840 -6.069 2.995 1.00 3.33 H new ATOM 0 HG23 ILE A 6 -3.825 -6.083 1.215 1.00 3.33 H new ATOM 0 HD11 ILE A 6 -7.195 -4.013 -0.254 1.00 0.34 H new ATOM 0 HD12 ILE A 6 -7.075 -3.773 1.505 1.00 0.34 H new ATOM 0 HD13 ILE A 6 -5.597 -3.889 0.520 1.00 0.34 H new ATOM 103 N VAL A 7 -4.265 -9.439 3.103 1.00 54.14 N ATOM 104 CA VAL A 7 -3.588 -10.212 4.165 1.00 10.25 C ATOM 105 C VAL A 7 -2.478 -9.408 4.886 1.00 25.14 C ATOM 106 O VAL A 7 -2.125 -9.721 6.031 1.00 71.15 O ATOM 107 CB VAL A 7 -3.005 -11.555 3.590 1.00 14.44 C ATOM 108 CG1 VAL A 7 -4.146 -12.448 3.038 1.00 53.14 C ATOM 109 CG2 VAL A 7 -1.919 -11.298 2.505 1.00 31.03 C ATOM 0 H VAL A 7 -4.065 -9.783 2.164 1.00 54.14 H new ATOM 0 HA VAL A 7 -4.348 -10.440 4.912 1.00 10.25 H new ATOM 0 HB VAL A 7 -2.518 -12.083 4.410 1.00 14.44 H new ATOM 0 HG11 VAL A 7 -3.726 -13.373 2.644 1.00 53.14 H new ATOM 0 HG12 VAL A 7 -4.847 -12.680 3.840 1.00 53.14 H new ATOM 0 HG13 VAL A 7 -4.669 -11.919 2.241 1.00 53.14 H new ATOM 0 HG21 VAL A 7 -1.542 -12.251 2.134 1.00 31.03 H new ATOM 0 HG22 VAL A 7 -2.355 -10.734 1.680 1.00 31.03 H new ATOM 0 HG23 VAL A 7 -1.098 -10.728 2.940 1.00 31.03 H new ATOM 119 N ASP A 8 -1.944 -8.372 4.211 1.00 13.31 N ATOM 120 CA ASP A 8 -0.918 -7.485 4.781 1.00 24.11 C ATOM 121 C ASP A 8 -0.988 -6.078 4.114 1.00 15.34 C ATOM 122 O ASP A 8 -0.658 -5.951 2.937 1.00 53.23 O ATOM 123 CB ASP A 8 0.489 -8.115 4.609 1.00 1.21 C ATOM 124 CG ASP A 8 1.586 -7.294 5.304 1.00 32.54 C ATOM 125 OD1 ASP A 8 1.561 -7.199 6.555 1.00 60.40 O ATOM 126 OD2 ASP A 8 2.460 -6.722 4.619 1.00 44.22 O ATOM 0 H ASP A 8 -2.213 -8.129 3.258 1.00 13.31 H new ATOM 0 HA ASP A 8 -1.108 -7.363 5.847 1.00 24.11 H new ATOM 0 HB2 ASP A 8 0.483 -9.127 5.015 1.00 1.21 H new ATOM 0 HB3 ASP A 8 0.719 -8.199 3.547 1.00 1.21 H new ATOM 131 N PRO A 9 -1.429 -4.993 4.841 1.00 34.12 N ATOM 132 CA PRO A 9 -1.889 -5.051 6.252 1.00 1.04 C ATOM 133 C PRO A 9 -3.397 -5.392 6.427 1.00 60.14 C ATOM 134 O PRO A 9 -4.199 -5.289 5.493 1.00 33.33 O ATOM 135 CB PRO A 9 -1.586 -3.623 6.748 1.00 62.15 C ATOM 136 CG PRO A 9 -1.843 -2.756 5.551 1.00 33.43 C ATOM 137 CD PRO A 9 -1.476 -3.594 4.327 1.00 12.12 C ATOM 0 HA PRO A 9 -1.394 -5.850 6.804 1.00 1.04 H new ATOM 0 HB2 PRO A 9 -2.228 -3.347 7.585 1.00 62.15 H new ATOM 0 HB3 PRO A 9 -0.556 -3.531 7.093 1.00 62.15 H new ATOM 0 HG2 PRO A 9 -2.888 -2.447 5.512 1.00 33.43 H new ATOM 0 HG3 PRO A 9 -1.243 -1.847 5.594 1.00 33.43 H new ATOM 0 HD2 PRO A 9 -2.216 -3.486 3.534 1.00 12.12 H new ATOM 0 HD3 PRO A 9 -0.516 -3.291 3.910 1.00 12.12 H new ATOM 145 N ARG A 10 -3.748 -5.804 7.655 1.00 74.34 N ATOM 146 CA ARG A 10 -5.150 -6.047 8.082 1.00 21.43 C ATOM 147 C ARG A 10 -5.758 -4.789 8.761 1.00 40.12 C ATOM 148 O ARG A 10 -6.968 -4.724 8.998 1.00 32.14 O ATOM 149 CB ARG A 10 -5.184 -7.235 9.089 1.00 14.32 C ATOM 150 CG ARG A 10 -4.581 -8.561 8.567 1.00 1.50 C ATOM 151 CD ARG A 10 -5.373 -9.155 7.393 1.00 34.13 C ATOM 152 NE ARG A 10 -6.775 -9.454 7.752 1.00 53.35 N ATOM 153 CZ ARG A 10 -7.811 -9.312 6.956 1.00 22.05 C ATOM 154 NH1 ARG A 10 -7.682 -8.836 5.755 1.00 35.03 N ATOM 155 NH2 ARG A 10 -8.990 -9.628 7.372 1.00 53.12 N ATOM 0 H ARG A 10 -3.066 -5.982 8.392 1.00 74.34 H new ATOM 0 HA ARG A 10 -5.740 -6.281 7.196 1.00 21.43 H new ATOM 0 HB2 ARG A 10 -4.647 -6.941 9.991 1.00 14.32 H new ATOM 0 HB3 ARG A 10 -6.219 -7.415 9.379 1.00 14.32 H new ATOM 0 HG2 ARG A 10 -3.551 -8.388 8.254 1.00 1.50 H new ATOM 0 HG3 ARG A 10 -4.549 -9.285 9.381 1.00 1.50 H new ATOM 0 HD2 ARG A 10 -5.356 -8.456 6.557 1.00 34.13 H new ATOM 0 HD3 ARG A 10 -4.885 -10.069 7.055 1.00 34.13 H new ATOM 0 HE ARG A 10 -6.953 -9.799 8.695 1.00 53.35 H new ATOM 0 HH11 ARG A 10 -6.761 -8.563 5.411 1.00 35.03 H new ATOM 0 HH12 ARG A 10 -8.501 -8.735 5.156 1.00 35.03 H new ATOM 0 HH21 ARG A 10 -9.118 -9.988 8.318 1.00 53.12 H new ATOM 0 HH22 ARG A 10 -9.795 -9.518 6.755 1.00 53.12 H new ATOM 169 N GLU A 11 -4.898 -3.795 9.059 1.00 24.44 N ATOM 170 CA GLU A 11 -5.235 -2.662 9.952 1.00 11.05 C ATOM 171 C GLU A 11 -4.596 -1.326 9.464 1.00 24.22 C ATOM 172 O GLU A 11 -4.096 -1.236 8.335 1.00 2.14 O ATOM 173 CB GLU A 11 -4.749 -3.010 11.393 1.00 11.22 C ATOM 174 CG GLU A 11 -3.218 -3.201 11.523 1.00 0.53 C ATOM 175 CD GLU A 11 -2.758 -3.453 12.972 1.00 4.13 C ATOM 176 OE1 GLU A 11 -2.647 -2.476 13.747 1.00 40.35 O ATOM 177 OE2 GLU A 11 -2.523 -4.621 13.345 1.00 25.12 O ATOM 0 H GLU A 11 -3.949 -3.753 8.688 1.00 24.44 H new ATOM 0 HA GLU A 11 -6.315 -2.513 9.943 1.00 11.05 H new ATOM 0 HB2 GLU A 11 -5.063 -2.216 12.071 1.00 11.22 H new ATOM 0 HB3 GLU A 11 -5.246 -3.923 11.720 1.00 11.22 H new ATOM 0 HG2 GLU A 11 -2.909 -4.040 10.900 1.00 0.53 H new ATOM 0 HG3 GLU A 11 -2.714 -2.315 11.138 1.00 0.53 H new ATOM 184 N HIS A 12 -4.633 -0.296 10.343 1.00 50.42 N ATOM 185 CA HIS A 12 -4.030 1.035 10.097 1.00 71.51 C ATOM 186 C HIS A 12 -2.514 1.012 10.435 1.00 30.52 C ATOM 187 O HIS A 12 -2.140 0.822 11.596 1.00 15.22 O ATOM 188 CB HIS A 12 -4.737 2.115 10.967 1.00 11.51 C ATOM 189 CG HIS A 12 -6.241 2.080 10.895 1.00 43.05 C ATOM 190 ND1 HIS A 12 -7.012 1.222 11.657 1.00 72.41 N ATOM 191 CD2 HIS A 12 -7.113 2.788 10.145 1.00 20.55 C ATOM 192 CE1 HIS A 12 -8.285 1.408 11.375 1.00 71.13 C ATOM 193 NE2 HIS A 12 -8.370 2.351 10.463 1.00 63.42 N ATOM 0 H HIS A 12 -5.088 -0.367 11.253 1.00 50.42 H new ATOM 0 HA HIS A 12 -4.158 1.280 9.043 1.00 71.51 H new ATOM 0 HB2 HIS A 12 -4.431 1.986 12.005 1.00 11.51 H new ATOM 0 HB3 HIS A 12 -4.392 3.100 10.653 1.00 11.51 H new ATOM 0 HD2 HIS A 12 -6.864 3.556 9.428 1.00 20.55 H new ATOM 0 HE1 HIS A 12 -9.116 0.877 11.817 1.00 71.13 H new ATOM 0 HE2 HIS A 12 -9.237 2.702 10.056 1.00 63.42 H new ATOM 202 N VAL A 13 -1.650 1.181 9.420 1.00 24.44 N ATOM 203 CA VAL A 13 -0.185 1.296 9.622 1.00 23.32 C ATOM 204 C VAL A 13 0.193 2.771 9.911 1.00 45.34 C ATOM 205 O VAL A 13 0.088 3.629 9.029 1.00 43.11 O ATOM 206 CB VAL A 13 0.610 0.760 8.373 1.00 71.33 C ATOM 207 CG1 VAL A 13 2.145 0.894 8.563 1.00 11.10 C ATOM 208 CG2 VAL A 13 0.218 -0.705 8.065 1.00 24.41 C ATOM 0 H VAL A 13 -1.938 1.242 8.443 1.00 24.44 H new ATOM 0 HA VAL A 13 0.090 0.681 10.479 1.00 23.32 H new ATOM 0 HB VAL A 13 0.335 1.380 7.519 1.00 71.33 H new ATOM 0 HG11 VAL A 13 2.656 0.513 7.679 1.00 11.10 H new ATOM 0 HG12 VAL A 13 2.404 1.943 8.707 1.00 11.10 H new ATOM 0 HG13 VAL A 13 2.455 0.320 9.436 1.00 11.10 H new ATOM 0 HG21 VAL A 13 0.778 -1.057 7.199 1.00 24.41 H new ATOM 0 HG22 VAL A 13 0.449 -1.332 8.926 1.00 24.41 H new ATOM 0 HG23 VAL A 13 -0.850 -0.759 7.853 1.00 24.41 H new ATOM 218 N PHE A 14 0.607 3.054 11.160 1.00 73.32 N ATOM 219 CA PHE A 14 0.961 4.419 11.602 1.00 15.42 C ATOM 220 C PHE A 14 2.378 4.809 11.104 1.00 34.21 C ATOM 221 O PHE A 14 3.388 4.256 11.547 1.00 52.44 O ATOM 222 CB PHE A 14 0.865 4.519 13.148 1.00 52.42 C ATOM 223 CG PHE A 14 -0.540 4.237 13.697 1.00 74.40 C ATOM 224 CD1 PHE A 14 -0.945 2.936 14.006 1.00 51.41 C ATOM 225 CD2 PHE A 14 -1.461 5.272 13.882 1.00 54.34 C ATOM 226 CE1 PHE A 14 -2.217 2.680 14.488 1.00 30.55 C ATOM 227 CE2 PHE A 14 -2.731 5.014 14.367 1.00 4.33 C ATOM 228 CZ PHE A 14 -3.111 3.718 14.665 1.00 2.33 C ATOM 0 H PHE A 14 0.706 2.348 11.889 1.00 73.32 H new ATOM 0 HA PHE A 14 0.252 5.123 11.166 1.00 15.42 H new ATOM 0 HB2 PHE A 14 1.568 3.815 13.593 1.00 52.42 H new ATOM 0 HB3 PHE A 14 1.174 5.517 13.459 1.00 52.42 H new ATOM 0 HD1 PHE A 14 -0.255 2.117 13.867 1.00 51.41 H new ATOM 0 HD2 PHE A 14 -1.178 6.286 13.643 1.00 54.34 H new ATOM 0 HE1 PHE A 14 -2.511 1.668 14.726 1.00 30.55 H new ATOM 0 HE2 PHE A 14 -3.427 5.827 14.513 1.00 4.33 H new ATOM 0 HZ PHE A 14 -4.105 3.518 15.036 1.00 2.33 H new ATOM 238 N VAL A 15 2.415 5.761 10.163 1.00 43.21 N ATOM 239 CA VAL A 15 3.642 6.284 9.532 1.00 11.33 C ATOM 240 C VAL A 15 3.803 7.794 9.860 1.00 53.34 C ATOM 241 O VAL A 15 2.826 8.547 9.860 1.00 51.41 O ATOM 242 CB VAL A 15 3.590 6.075 7.966 1.00 43.32 C ATOM 243 CG1 VAL A 15 4.838 6.665 7.260 1.00 52.40 C ATOM 244 CG2 VAL A 15 3.414 4.575 7.608 1.00 65.43 C ATOM 0 H VAL A 15 1.569 6.204 9.806 1.00 43.21 H new ATOM 0 HA VAL A 15 4.498 5.738 9.928 1.00 11.33 H new ATOM 0 HB VAL A 15 2.720 6.620 7.600 1.00 43.32 H new ATOM 0 HG11 VAL A 15 4.761 6.499 6.185 1.00 52.40 H new ATOM 0 HG12 VAL A 15 4.897 7.735 7.459 1.00 52.40 H new ATOM 0 HG13 VAL A 15 5.736 6.176 7.639 1.00 52.40 H new ATOM 0 HG21 VAL A 15 3.381 4.461 6.524 1.00 65.43 H new ATOM 0 HG22 VAL A 15 4.252 4.005 8.008 1.00 65.43 H new ATOM 0 HG23 VAL A 15 2.484 4.205 8.040 1.00 65.43 H new ATOM 254 N HIS A 16 5.034 8.228 10.167 1.00 54.02 N ATOM 255 CA HIS A 16 5.357 9.654 10.430 1.00 1.03 C ATOM 256 C HIS A 16 6.585 10.072 9.595 1.00 4.32 C ATOM 257 O HIS A 16 7.656 9.468 9.723 1.00 74.44 O ATOM 258 CB HIS A 16 5.616 9.881 11.941 1.00 31.33 C ATOM 259 CG HIS A 16 4.430 9.582 12.817 1.00 43.23 C ATOM 260 ND1 HIS A 16 4.198 8.346 13.382 1.00 33.44 N ATOM 261 CD2 HIS A 16 3.401 10.364 13.200 1.00 33.22 C ATOM 262 CE1 HIS A 16 3.081 8.384 14.074 1.00 11.15 C ATOM 263 NE2 HIS A 16 2.578 9.596 13.981 1.00 74.13 N ATOM 0 H HIS A 16 5.840 7.607 10.242 1.00 54.02 H new ATOM 0 HA HIS A 16 4.508 10.272 10.138 1.00 1.03 H new ATOM 0 HB2 HIS A 16 6.452 9.256 12.254 1.00 31.33 H new ATOM 0 HB3 HIS A 16 5.917 10.917 12.096 1.00 31.33 H new ATOM 0 HD2 HIS A 16 3.253 11.402 12.940 1.00 33.22 H new ATOM 0 HE1 HIS A 16 2.650 7.561 14.625 1.00 11.15 H new ATOM 0 HE2 HIS A 16 1.714 9.913 14.420 1.00 74.13 H new ATOM 272 N ALA A 17 6.417 11.097 8.739 1.00 23.12 N ATOM 273 CA ALA A 17 7.467 11.559 7.803 1.00 14.32 C ATOM 274 C ALA A 17 7.584 13.102 7.782 1.00 14.35 C ATOM 275 O ALA A 17 6.650 13.819 8.141 1.00 21.21 O ATOM 276 CB ALA A 17 7.156 11.029 6.391 1.00 20.42 C ATOM 0 H ALA A 17 5.550 11.631 8.674 1.00 23.12 H new ATOM 0 HA ALA A 17 8.425 11.168 8.145 1.00 14.32 H new ATOM 0 HB1 ALA A 17 7.926 11.367 5.698 1.00 20.42 H new ATOM 0 HB2 ALA A 17 7.135 9.939 6.408 1.00 20.42 H new ATOM 0 HB3 ALA A 17 6.186 11.405 6.067 1.00 20.42 H new ATOM 282 N ILE A 18 8.765 13.586 7.381 1.00 74.34 N ATOM 283 CA ILE A 18 9.023 15.009 7.061 1.00 45.14 C ATOM 284 C ILE A 18 8.774 15.247 5.539 1.00 15.53 C ATOM 285 O ILE A 18 8.761 14.292 4.753 1.00 65.05 O ATOM 286 CB ILE A 18 10.509 15.383 7.476 1.00 12.33 C ATOM 287 CG1 ILE A 18 10.743 15.101 8.998 1.00 22.21 C ATOM 288 CG2 ILE A 18 10.905 16.845 7.124 1.00 63.51 C ATOM 289 CD1 ILE A 18 9.843 15.886 9.944 1.00 4.41 C ATOM 0 H ILE A 18 9.588 12.995 7.265 1.00 74.34 H new ATOM 0 HA ILE A 18 8.345 15.653 7.621 1.00 45.14 H new ATOM 0 HB ILE A 18 11.160 14.741 6.883 1.00 12.33 H new ATOM 0 HG12 ILE A 18 10.597 14.037 9.182 1.00 22.21 H new ATOM 0 HG13 ILE A 18 11.782 15.326 9.238 1.00 22.21 H new ATOM 0 HG21 ILE A 18 11.933 17.029 7.437 1.00 63.51 H new ATOM 0 HG22 ILE A 18 10.820 16.996 6.048 1.00 63.51 H new ATOM 0 HG23 ILE A 18 10.240 17.537 7.641 1.00 63.51 H new ATOM 0 HD11 ILE A 18 10.080 15.622 10.975 1.00 4.41 H new ATOM 0 HD12 ILE A 18 10.003 16.954 9.796 1.00 4.41 H new ATOM 0 HD13 ILE A 18 8.800 15.644 9.739 1.00 4.41 H new ATOM 301 N THR A 19 8.604 16.522 5.133 1.00 53.43 N ATOM 302 CA THR A 19 8.338 16.939 3.722 1.00 62.00 C ATOM 303 C THR A 19 9.478 16.604 2.692 1.00 43.22 C ATOM 304 O THR A 19 9.420 17.054 1.538 1.00 50.24 O ATOM 305 CB THR A 19 8.029 18.478 3.667 1.00 32.21 C ATOM 306 OG1 THR A 19 9.163 19.224 4.143 1.00 61.52 O ATOM 307 CG2 THR A 19 6.792 18.849 4.510 1.00 3.11 C ATOM 0 H THR A 19 8.647 17.310 5.779 1.00 53.43 H new ATOM 0 HA THR A 19 7.478 16.345 3.413 1.00 62.00 H new ATOM 0 HB THR A 19 7.820 18.729 2.627 1.00 32.21 H new ATOM 0 HG1 THR A 19 8.964 20.183 4.104 1.00 61.52 H new ATOM 0 HG21 THR A 19 6.615 19.922 4.443 1.00 3.11 H new ATOM 0 HG22 THR A 19 5.921 18.313 4.133 1.00 3.11 H new ATOM 0 HG23 THR A 19 6.965 18.574 5.550 1.00 3.11 H new ATOM 315 N SER A 20 10.498 15.802 3.093 1.00 64.42 N ATOM 316 CA SER A 20 11.631 15.394 2.209 1.00 22.30 C ATOM 317 C SER A 20 12.067 13.915 2.442 1.00 52.40 C ATOM 318 O SER A 20 13.154 13.515 2.009 1.00 43.54 O ATOM 319 CB SER A 20 12.837 16.354 2.437 1.00 4.32 C ATOM 320 OG SER A 20 12.500 17.707 2.134 1.00 15.42 O ATOM 0 H SER A 20 10.562 15.418 4.036 1.00 64.42 H new ATOM 0 HA SER A 20 11.288 15.463 1.177 1.00 22.30 H new ATOM 0 HB2 SER A 20 13.166 16.285 3.474 1.00 4.32 H new ATOM 0 HB3 SER A 20 13.675 16.040 1.815 1.00 4.32 H new ATOM 0 HG SER A 20 13.279 18.281 2.290 1.00 15.42 H new ATOM 326 N GLU A 21 11.214 13.100 3.099 1.00 2.23 N ATOM 327 CA GLU A 21 11.541 11.679 3.453 1.00 54.04 C ATOM 328 C GLU A 21 11.137 10.664 2.354 1.00 44.22 C ATOM 329 O GLU A 21 10.389 10.981 1.437 1.00 41.25 O ATOM 330 CB GLU A 21 10.857 11.304 4.801 1.00 41.22 C ATOM 331 CG GLU A 21 11.456 12.000 6.041 1.00 41.44 C ATOM 332 CD GLU A 21 12.871 11.507 6.399 1.00 24.51 C ATOM 333 OE1 GLU A 21 12.995 10.506 7.136 1.00 42.15 O ATOM 334 OE2 GLU A 21 13.866 12.107 5.935 1.00 50.42 O ATOM 0 H GLU A 21 10.285 13.393 3.402 1.00 2.23 H new ATOM 0 HA GLU A 21 12.625 11.618 3.547 1.00 54.04 H new ATOM 0 HB2 GLU A 21 9.798 11.553 4.737 1.00 41.22 H new ATOM 0 HB3 GLU A 21 10.923 10.225 4.939 1.00 41.22 H new ATOM 0 HG2 GLU A 21 11.488 13.075 5.864 1.00 41.44 H new ATOM 0 HG3 GLU A 21 10.797 11.837 6.893 1.00 41.44 H new ATOM 341 N CYS A 22 11.660 9.429 2.468 1.00 75.33 N ATOM 342 CA CYS A 22 11.315 8.299 1.568 1.00 55.14 C ATOM 343 C CYS A 22 10.484 7.228 2.327 1.00 54.43 C ATOM 344 O CYS A 22 10.970 6.609 3.278 1.00 2.12 O ATOM 345 CB CYS A 22 12.604 7.678 0.967 1.00 23.03 C ATOM 346 SG CYS A 22 13.786 7.047 2.187 1.00 65.40 S ATOM 0 H CYS A 22 12.338 9.180 3.189 1.00 75.33 H new ATOM 0 HA CYS A 22 10.704 8.679 0.749 1.00 55.14 H new ATOM 0 HB2 CYS A 22 12.321 6.863 0.301 1.00 23.03 H new ATOM 0 HB3 CYS A 22 13.102 8.431 0.356 1.00 23.03 H new ATOM 0 HG CYS A 22 13.141 6.573 3.211 1.00 65.40 H new ATOM 352 N VAL A 23 9.214 7.029 1.907 1.00 51.22 N ATOM 353 CA VAL A 23 8.253 6.106 2.580 1.00 43.42 C ATOM 354 C VAL A 23 7.682 5.050 1.591 1.00 72.44 C ATOM 355 O VAL A 23 7.091 5.401 0.569 1.00 4.35 O ATOM 356 CB VAL A 23 7.072 6.923 3.244 1.00 52.32 C ATOM 357 CG1 VAL A 23 5.933 6.003 3.756 1.00 2.42 C ATOM 358 CG2 VAL A 23 7.604 7.821 4.394 1.00 31.04 C ATOM 0 H VAL A 23 8.820 7.501 1.093 1.00 51.22 H new ATOM 0 HA VAL A 23 8.801 5.574 3.358 1.00 43.42 H new ATOM 0 HB VAL A 23 6.648 7.558 2.466 1.00 52.32 H new ATOM 0 HG11 VAL A 23 5.147 6.612 4.203 1.00 2.42 H new ATOM 0 HG12 VAL A 23 5.522 5.434 2.922 1.00 2.42 H new ATOM 0 HG13 VAL A 23 6.329 5.316 4.504 1.00 2.42 H new ATOM 0 HG21 VAL A 23 6.776 8.374 4.837 1.00 31.04 H new ATOM 0 HG22 VAL A 23 8.072 7.197 5.156 1.00 31.04 H new ATOM 0 HG23 VAL A 23 8.338 8.523 3.998 1.00 31.04 H new ATOM 368 N MET A 24 7.857 3.753 1.928 1.00 25.13 N ATOM 369 CA MET A 24 7.327 2.618 1.131 1.00 51.42 C ATOM 370 C MET A 24 6.095 1.979 1.828 1.00 54.15 C ATOM 371 O MET A 24 6.240 1.222 2.789 1.00 21.02 O ATOM 372 CB MET A 24 8.437 1.550 0.918 1.00 43.32 C ATOM 373 CG MET A 24 9.712 2.065 0.235 1.00 72.22 C ATOM 374 SD MET A 24 10.945 0.763 -0.014 1.00 11.51 S ATOM 375 CE MET A 24 10.081 -0.371 -1.109 1.00 74.21 C ATOM 0 H MET A 24 8.369 3.461 2.760 1.00 25.13 H new ATOM 0 HA MET A 24 7.010 3.000 0.161 1.00 51.42 H new ATOM 0 HB2 MET A 24 8.707 1.130 1.887 1.00 43.32 H new ATOM 0 HB3 MET A 24 8.027 0.736 0.321 1.00 43.32 H new ATOM 0 HG2 MET A 24 9.452 2.502 -0.729 1.00 72.22 H new ATOM 0 HG3 MET A 24 10.147 2.861 0.839 1.00 72.22 H new ATOM 0 HE1 MET A 24 10.800 -1.042 -1.578 1.00 74.21 H new ATOM 0 HE2 MET A 24 9.361 -0.954 -0.534 1.00 74.21 H new ATOM 0 HE3 MET A 24 9.557 0.195 -1.879 1.00 74.21 H new ATOM 385 N LEU A 25 4.886 2.333 1.359 1.00 51.00 N ATOM 386 CA LEU A 25 3.616 1.712 1.809 1.00 60.35 C ATOM 387 C LEU A 25 3.377 0.397 1.029 1.00 52.12 C ATOM 388 O LEU A 25 3.439 0.403 -0.198 1.00 33.30 O ATOM 389 CB LEU A 25 2.439 2.695 1.571 1.00 53.40 C ATOM 390 CG LEU A 25 2.592 4.112 2.210 1.00 43.55 C ATOM 391 CD1 LEU A 25 1.379 5.001 1.874 1.00 34.12 C ATOM 392 CD2 LEU A 25 2.817 4.028 3.739 1.00 24.01 C ATOM 0 H LEU A 25 4.756 3.059 0.655 1.00 51.00 H new ATOM 0 HA LEU A 25 3.679 1.488 2.874 1.00 60.35 H new ATOM 0 HB2 LEU A 25 2.304 2.815 0.496 1.00 53.40 H new ATOM 0 HB3 LEU A 25 1.527 2.240 1.958 1.00 53.40 H new ATOM 0 HG LEU A 25 3.480 4.573 1.777 1.00 43.55 H new ATOM 0 HD11 LEU A 25 1.510 5.982 2.330 1.00 34.12 H new ATOM 0 HD12 LEU A 25 1.297 5.112 0.793 1.00 34.12 H new ATOM 0 HD13 LEU A 25 0.471 4.539 2.261 1.00 34.12 H new ATOM 0 HD21 LEU A 25 2.919 5.033 4.148 1.00 24.01 H new ATOM 0 HD22 LEU A 25 1.966 3.531 4.205 1.00 24.01 H new ATOM 0 HD23 LEU A 25 3.725 3.460 3.943 1.00 24.01 H new ATOM 404 N ALA A 26 3.093 -0.719 1.731 1.00 63.33 N ATOM 405 CA ALA A 26 3.010 -2.068 1.103 1.00 71.34 C ATOM 406 C ALA A 26 1.669 -2.788 1.408 1.00 1.40 C ATOM 407 O ALA A 26 1.331 -3.026 2.570 1.00 11.41 O ATOM 408 CB ALA A 26 4.206 -2.919 1.564 1.00 10.25 C ATOM 0 H ALA A 26 2.916 -0.720 2.735 1.00 63.33 H new ATOM 0 HA ALA A 26 3.046 -1.936 0.022 1.00 71.34 H new ATOM 0 HB1 ALA A 26 4.148 -3.906 1.106 1.00 10.25 H new ATOM 0 HB2 ALA A 26 5.135 -2.434 1.264 1.00 10.25 H new ATOM 0 HB3 ALA A 26 4.184 -3.020 2.649 1.00 10.25 H new ATOM 414 N CYS A 27 0.934 -3.142 0.338 1.00 24.22 N ATOM 415 CA CYS A 27 -0.359 -3.871 0.403 1.00 74.23 C ATOM 416 C CYS A 27 -0.301 -5.190 -0.413 1.00 12.41 C ATOM 417 O CYS A 27 0.234 -5.213 -1.526 1.00 64.44 O ATOM 418 CB CYS A 27 -1.494 -2.987 -0.146 1.00 31.02 C ATOM 419 SG CYS A 27 -3.083 -3.826 -0.287 1.00 1.34 S ATOM 0 H CYS A 27 1.222 -2.928 -0.617 1.00 24.22 H new ATOM 0 HA CYS A 27 -0.551 -4.114 1.448 1.00 74.23 H new ATOM 0 HB2 CYS A 27 -1.610 -2.120 0.504 1.00 31.02 H new ATOM 0 HB3 CYS A 27 -1.205 -2.613 -1.128 1.00 31.02 H new ATOM 0 HG CYS A 27 -2.918 -4.971 -0.879 1.00 1.34 H new ATOM 425 N GLU A 28 -0.855 -6.284 0.143 1.00 63.43 N ATOM 426 CA GLU A 28 -0.897 -7.601 -0.533 1.00 21.24 C ATOM 427 C GLU A 28 -2.159 -8.394 -0.131 1.00 54.05 C ATOM 428 O GLU A 28 -2.606 -8.323 1.015 1.00 12.32 O ATOM 429 CB GLU A 28 0.381 -8.427 -0.218 1.00 20.44 C ATOM 430 CG GLU A 28 0.475 -9.761 -0.991 1.00 12.35 C ATOM 431 CD GLU A 28 1.775 -10.533 -0.737 1.00 50.24 C ATOM 432 OE1 GLU A 28 2.851 -10.028 -1.120 1.00 62.31 O ATOM 433 OE2 GLU A 28 1.732 -11.637 -0.153 1.00 1.44 O ATOM 0 H GLU A 28 -1.285 -6.284 1.068 1.00 63.43 H new ATOM 0 HA GLU A 28 -0.936 -7.419 -1.607 1.00 21.24 H new ATOM 0 HB2 GLU A 28 1.258 -7.822 -0.450 1.00 20.44 H new ATOM 0 HB3 GLU A 28 0.411 -8.636 0.851 1.00 20.44 H new ATOM 0 HG2 GLU A 28 -0.371 -10.391 -0.714 1.00 12.35 H new ATOM 0 HG3 GLU A 28 0.386 -9.559 -2.058 1.00 12.35 H new ATOM 440 N VAL A 29 -2.703 -9.164 -1.091 1.00 64.12 N ATOM 441 CA VAL A 29 -3.928 -9.984 -0.917 1.00 13.13 C ATOM 442 C VAL A 29 -3.621 -11.497 -0.976 1.00 54.35 C ATOM 443 O VAL A 29 -2.503 -11.905 -1.314 1.00 35.52 O ATOM 444 CB VAL A 29 -4.987 -9.623 -2.024 1.00 73.03 C ATOM 445 CG1 VAL A 29 -5.530 -8.197 -1.811 1.00 54.23 C ATOM 446 CG2 VAL A 29 -4.391 -9.782 -3.451 1.00 42.53 C ATOM 0 H VAL A 29 -2.302 -9.239 -2.026 1.00 64.12 H new ATOM 0 HA VAL A 29 -4.332 -9.757 0.070 1.00 13.13 H new ATOM 0 HB VAL A 29 -5.817 -10.324 -1.934 1.00 73.03 H new ATOM 0 HG11 VAL A 29 -6.261 -7.966 -2.586 1.00 54.23 H new ATOM 0 HG12 VAL A 29 -6.006 -8.131 -0.833 1.00 54.23 H new ATOM 0 HG13 VAL A 29 -4.708 -7.483 -1.863 1.00 54.23 H new ATOM 0 HG21 VAL A 29 -5.148 -9.525 -4.192 1.00 42.53 H new ATOM 0 HG22 VAL A 29 -3.533 -9.119 -3.563 1.00 42.53 H new ATOM 0 HG23 VAL A 29 -4.073 -10.814 -3.600 1.00 42.53 H new ATOM 456 N ASP A 30 -4.629 -12.327 -0.636 1.00 74.03 N ATOM 457 CA ASP A 30 -4.542 -13.796 -0.796 1.00 25.42 C ATOM 458 C ASP A 30 -4.867 -14.213 -2.250 1.00 65.14 C ATOM 459 O ASP A 30 -4.200 -15.088 -2.813 1.00 41.31 O ATOM 460 CB ASP A 30 -5.476 -14.523 0.210 1.00 3.21 C ATOM 461 CG ASP A 30 -6.974 -14.261 -0.024 1.00 53.41 C ATOM 462 OD1 ASP A 30 -7.443 -13.163 0.306 1.00 51.21 O ATOM 463 OD2 ASP A 30 -7.675 -15.143 -0.557 1.00 70.23 O ATOM 0 H ASP A 30 -5.516 -12.005 -0.248 1.00 74.03 H new ATOM 0 HA ASP A 30 -3.517 -14.096 -0.579 1.00 25.42 H new ATOM 0 HB2 ASP A 30 -5.292 -15.596 0.151 1.00 3.21 H new ATOM 0 HB3 ASP A 30 -5.217 -14.210 1.222 1.00 3.21 H new ATOM 468 N ARG A 31 -5.881 -13.556 -2.854 1.00 13.32 N ATOM 469 CA ARG A 31 -6.332 -13.849 -4.229 1.00 63.34 C ATOM 470 C ARG A 31 -5.544 -12.985 -5.239 1.00 10.23 C ATOM 471 O ARG A 31 -5.877 -11.820 -5.469 1.00 14.24 O ATOM 472 CB ARG A 31 -7.863 -13.607 -4.365 1.00 73.43 C ATOM 473 CG ARG A 31 -8.444 -13.900 -5.772 1.00 43.10 C ATOM 474 CD ARG A 31 -9.949 -13.595 -5.885 1.00 24.24 C ATOM 475 NE ARG A 31 -10.454 -13.846 -7.254 1.00 30.13 N ATOM 476 CZ ARG A 31 -11.718 -13.872 -7.619 1.00 53.12 C ATOM 477 NH1 ARG A 31 -12.671 -13.681 -6.761 1.00 61.24 N ATOM 478 NH2 ARG A 31 -12.019 -14.094 -8.858 1.00 12.21 N ATOM 0 H ARG A 31 -6.408 -12.809 -2.402 1.00 13.32 H new ATOM 0 HA ARG A 31 -6.138 -14.899 -4.448 1.00 63.34 H new ATOM 0 HB2 ARG A 31 -8.381 -14.230 -3.636 1.00 73.43 H new ATOM 0 HB3 ARG A 31 -8.077 -12.570 -4.107 1.00 73.43 H new ATOM 0 HG2 ARG A 31 -7.904 -13.308 -6.511 1.00 43.10 H new ATOM 0 HG3 ARG A 31 -8.273 -14.948 -6.017 1.00 43.10 H new ATOM 0 HD2 ARG A 31 -10.500 -14.211 -5.174 1.00 24.24 H new ATOM 0 HD3 ARG A 31 -10.132 -12.555 -5.614 1.00 24.24 H new ATOM 0 HE ARG A 31 -9.758 -14.014 -7.981 1.00 30.13 H new ATOM 0 HH11 ARG A 31 -12.448 -13.506 -5.781 1.00 61.24 H new ATOM 0 HH12 ARG A 31 -13.644 -13.705 -7.066 1.00 61.24 H new ATOM 0 HH21 ARG A 31 -11.279 -14.247 -9.543 1.00 12.21 H new ATOM 0 HH22 ARG A 31 -12.996 -14.116 -9.149 1.00 12.21 H new ATOM 492 N GLU A 32 -4.482 -13.573 -5.817 1.00 23.30 N ATOM 493 CA GLU A 32 -3.607 -12.901 -6.820 1.00 25.12 C ATOM 494 C GLU A 32 -4.374 -12.487 -8.112 1.00 70.20 C ATOM 495 O GLU A 32 -3.938 -11.587 -8.839 1.00 42.41 O ATOM 496 CB GLU A 32 -2.362 -13.802 -7.148 1.00 22.24 C ATOM 497 CG GLU A 32 -2.607 -15.334 -7.258 1.00 65.25 C ATOM 498 CD GLU A 32 -3.589 -15.755 -8.367 1.00 61.25 C ATOM 499 OE1 GLU A 32 -3.182 -15.809 -9.547 1.00 73.44 O ATOM 500 OE2 GLU A 32 -4.773 -16.022 -8.062 1.00 41.01 O ATOM 0 H GLU A 32 -4.197 -14.530 -5.608 1.00 23.30 H new ATOM 0 HA GLU A 32 -3.256 -11.971 -6.373 1.00 25.12 H new ATOM 0 HB2 GLU A 32 -1.935 -13.459 -8.090 1.00 22.24 H new ATOM 0 HB3 GLU A 32 -1.610 -13.634 -6.377 1.00 22.24 H new ATOM 0 HG2 GLU A 32 -1.651 -15.829 -7.432 1.00 65.25 H new ATOM 0 HG3 GLU A 32 -2.984 -15.697 -6.302 1.00 65.25 H new ATOM 507 N ASP A 33 -5.498 -13.174 -8.377 1.00 20.42 N ATOM 508 CA ASP A 33 -6.414 -12.880 -9.500 1.00 72.35 C ATOM 509 C ASP A 33 -7.022 -11.450 -9.407 1.00 33.33 C ATOM 510 O ASP A 33 -7.303 -10.818 -10.433 1.00 44.34 O ATOM 511 CB ASP A 33 -7.528 -13.958 -9.509 1.00 33.03 C ATOM 512 CG ASP A 33 -8.534 -13.807 -10.660 1.00 11.40 C ATOM 513 OD1 ASP A 33 -8.196 -14.155 -11.812 1.00 34.03 O ATOM 514 OD2 ASP A 33 -9.676 -13.353 -10.416 1.00 71.32 O ATOM 0 H ASP A 33 -5.804 -13.964 -7.809 1.00 20.42 H new ATOM 0 HA ASP A 33 -5.852 -12.908 -10.433 1.00 72.35 H new ATOM 0 HB2 ASP A 33 -7.066 -14.943 -9.571 1.00 33.03 H new ATOM 0 HB3 ASP A 33 -8.066 -13.918 -8.562 1.00 33.03 H new ATOM 519 N ALA A 34 -7.211 -10.953 -8.169 1.00 12.44 N ATOM 520 CA ALA A 34 -7.791 -9.618 -7.905 1.00 73.03 C ATOM 521 C ALA A 34 -6.759 -8.693 -7.198 1.00 11.02 C ATOM 522 O ALA A 34 -6.542 -8.819 -5.988 1.00 31.13 O ATOM 523 CB ALA A 34 -9.069 -9.768 -7.069 1.00 13.32 C ATOM 0 H ALA A 34 -6.966 -11.465 -7.322 1.00 12.44 H new ATOM 0 HA ALA A 34 -8.048 -9.149 -8.855 1.00 73.03 H new ATOM 0 HB1 ALA A 34 -9.495 -8.783 -6.875 1.00 13.32 H new ATOM 0 HB2 ALA A 34 -9.791 -10.375 -7.615 1.00 13.32 H new ATOM 0 HB3 ALA A 34 -8.830 -10.252 -6.122 1.00 13.32 H new ATOM 529 N PRO A 35 -6.065 -7.776 -7.960 1.00 11.31 N ATOM 530 CA PRO A 35 -5.175 -6.731 -7.367 1.00 3.33 C ATOM 531 C PRO A 35 -5.944 -5.628 -6.587 1.00 4.21 C ATOM 532 O PRO A 35 -7.178 -5.616 -6.549 1.00 52.51 O ATOM 533 CB PRO A 35 -4.443 -6.130 -8.609 1.00 73.52 C ATOM 534 CG PRO A 35 -4.682 -7.108 -9.720 1.00 21.14 C ATOM 535 CD PRO A 35 -6.037 -7.714 -9.444 1.00 1.02 C ATOM 0 HA PRO A 35 -4.504 -7.158 -6.622 1.00 3.33 H new ATOM 0 HB2 PRO A 35 -4.838 -5.145 -8.860 1.00 73.52 H new ATOM 0 HB3 PRO A 35 -3.377 -6.007 -8.416 1.00 73.52 H new ATOM 0 HG2 PRO A 35 -4.665 -6.611 -10.690 1.00 21.14 H new ATOM 0 HG3 PRO A 35 -3.907 -7.874 -9.741 1.00 21.14 H new ATOM 0 HD2 PRO A 35 -6.845 -7.099 -9.840 1.00 1.02 H new ATOM 0 HD3 PRO A 35 -6.139 -8.702 -9.893 1.00 1.02 H new ATOM 543 N VAL A 36 -5.194 -4.685 -5.975 1.00 41.14 N ATOM 544 CA VAL A 36 -5.790 -3.553 -5.214 1.00 33.21 C ATOM 545 C VAL A 36 -5.592 -2.214 -5.972 1.00 11.45 C ATOM 546 O VAL A 36 -4.690 -2.084 -6.815 1.00 63.00 O ATOM 547 CB VAL A 36 -5.182 -3.437 -3.749 1.00 43.02 C ATOM 548 CG1 VAL A 36 -5.073 -4.828 -3.082 1.00 34.31 C ATOM 549 CG2 VAL A 36 -3.812 -2.702 -3.718 1.00 4.51 C ATOM 0 H VAL A 36 -4.174 -4.681 -5.990 1.00 41.14 H new ATOM 0 HA VAL A 36 -6.856 -3.759 -5.122 1.00 33.21 H new ATOM 0 HB VAL A 36 -5.878 -2.826 -3.174 1.00 43.02 H new ATOM 0 HG11 VAL A 36 -4.654 -4.720 -2.081 1.00 34.31 H new ATOM 0 HG12 VAL A 36 -6.064 -5.278 -3.014 1.00 34.31 H new ATOM 0 HG13 VAL A 36 -4.424 -5.468 -3.680 1.00 34.31 H new ATOM 0 HG21 VAL A 36 -3.448 -2.654 -2.692 1.00 4.51 H new ATOM 0 HG22 VAL A 36 -3.094 -3.245 -4.333 1.00 4.51 H new ATOM 0 HG23 VAL A 36 -3.932 -1.691 -4.108 1.00 4.51 H new ATOM 559 N ARG A 37 -6.455 -1.232 -5.670 1.00 22.40 N ATOM 560 CA ARG A 37 -6.236 0.181 -6.043 1.00 72.44 C ATOM 561 C ARG A 37 -5.639 0.939 -4.839 1.00 25.01 C ATOM 562 O ARG A 37 -5.816 0.524 -3.698 1.00 15.44 O ATOM 563 CB ARG A 37 -7.562 0.872 -6.450 1.00 75.40 C ATOM 564 CG ARG A 37 -8.338 0.219 -7.610 1.00 2.20 C ATOM 565 CD ARG A 37 -9.608 1.021 -7.952 1.00 70.23 C ATOM 566 NE ARG A 37 -10.434 0.369 -8.979 1.00 71.23 N ATOM 567 CZ ARG A 37 -11.400 0.947 -9.656 1.00 3.12 C ATOM 568 NH1 ARG A 37 -11.659 2.213 -9.516 1.00 3.05 N ATOM 569 NH2 ARG A 37 -12.091 0.256 -10.496 1.00 12.14 N ATOM 0 H ARG A 37 -7.325 -1.391 -5.161 1.00 22.40 H new ATOM 0 HA ARG A 37 -5.555 0.202 -6.894 1.00 72.44 H new ATOM 0 HB2 ARG A 37 -8.214 0.905 -5.577 1.00 75.40 H new ATOM 0 HB3 ARG A 37 -7.342 1.904 -6.723 1.00 75.40 H new ATOM 0 HG2 ARG A 37 -7.697 0.155 -8.489 1.00 2.20 H new ATOM 0 HG3 ARG A 37 -8.611 -0.801 -7.340 1.00 2.20 H new ATOM 0 HD2 ARG A 37 -10.201 1.157 -7.048 1.00 70.23 H new ATOM 0 HD3 ARG A 37 -9.323 2.014 -8.298 1.00 70.23 H new ATOM 0 HE ARG A 37 -10.241 -0.612 -9.182 1.00 71.23 H new ATOM 0 HH11 ARG A 37 -11.107 2.778 -8.870 1.00 3.05 H new ATOM 0 HH12 ARG A 37 -12.414 2.641 -10.052 1.00 3.05 H new ATOM 0 HH21 ARG A 37 -11.887 -0.734 -10.632 1.00 12.14 H new ATOM 0 HH22 ARG A 37 -12.842 0.699 -11.025 1.00 12.14 H new ATOM 583 N TRP A 38 -4.945 2.048 -5.101 1.00 44.01 N ATOM 584 CA TRP A 38 -4.436 2.954 -4.046 1.00 72.52 C ATOM 585 C TRP A 38 -5.266 4.247 -4.012 1.00 2.34 C ATOM 586 O TRP A 38 -5.443 4.882 -5.035 1.00 32.02 O ATOM 587 CB TRP A 38 -2.934 3.271 -4.280 1.00 12.00 C ATOM 588 CG TRP A 38 -2.022 2.114 -3.937 1.00 3.45 C ATOM 589 CD1 TRP A 38 -1.613 1.093 -4.753 1.00 31.32 C ATOM 590 CD2 TRP A 38 -1.427 1.864 -2.657 1.00 0.32 C ATOM 591 NE1 TRP A 38 -0.794 0.237 -4.056 1.00 61.34 N ATOM 592 CE2 TRP A 38 -0.665 0.689 -2.769 1.00 31.53 C ATOM 593 CE3 TRP A 38 -1.461 2.533 -1.423 1.00 62.55 C ATOM 594 CZ2 TRP A 38 0.053 0.167 -1.699 1.00 43.11 C ATOM 595 CZ3 TRP A 38 -0.744 2.013 -0.366 1.00 13.44 C ATOM 596 CH2 TRP A 38 0.002 0.837 -0.510 1.00 14.53 C ATOM 0 H TRP A 38 -4.715 2.352 -6.047 1.00 44.01 H new ATOM 0 HA TRP A 38 -4.532 2.456 -3.081 1.00 72.52 H new ATOM 0 HB2 TRP A 38 -2.785 3.546 -5.324 1.00 12.00 H new ATOM 0 HB3 TRP A 38 -2.654 4.137 -3.680 1.00 12.00 H new ATOM 0 HD1 TRP A 38 -1.892 0.978 -5.790 1.00 31.32 H new ATOM 0 HE1 TRP A 38 -0.353 -0.601 -4.436 1.00 61.34 H new ATOM 0 HE3 TRP A 38 -2.038 3.438 -1.304 1.00 62.55 H new ATOM 0 HZ2 TRP A 38 0.632 -0.739 -1.805 1.00 43.11 H new ATOM 0 HZ3 TRP A 38 -0.758 2.521 0.587 1.00 13.44 H new ATOM 0 HH2 TRP A 38 0.549 0.451 0.338 1.00 14.53 H new ATOM 607 N TYR A 39 -5.795 4.601 -2.829 1.00 45.01 N ATOM 608 CA TYR A 39 -6.570 5.850 -2.592 1.00 75.21 C ATOM 609 C TYR A 39 -5.856 6.738 -1.552 1.00 63.31 C ATOM 610 O TYR A 39 -4.804 6.367 -1.027 1.00 74.44 O ATOM 611 CB TYR A 39 -8.015 5.522 -2.098 1.00 43.42 C ATOM 612 CG TYR A 39 -8.938 4.887 -3.149 1.00 62.21 C ATOM 613 CD1 TYR A 39 -8.788 3.554 -3.533 1.00 2.43 C ATOM 614 CD2 TYR A 39 -9.960 5.624 -3.759 1.00 64.11 C ATOM 615 CE1 TYR A 39 -9.622 2.983 -4.472 1.00 72.10 C ATOM 616 CE2 TYR A 39 -10.793 5.051 -4.699 1.00 50.11 C ATOM 617 CZ TYR A 39 -10.615 3.732 -5.055 1.00 53.11 C ATOM 618 OH TYR A 39 -11.440 3.159 -5.998 1.00 24.32 O ATOM 0 H TYR A 39 -5.700 4.025 -1.992 1.00 45.01 H new ATOM 0 HA TYR A 39 -6.636 6.388 -3.537 1.00 75.21 H new ATOM 0 HB2 TYR A 39 -7.945 4.848 -1.244 1.00 43.42 H new ATOM 0 HB3 TYR A 39 -8.477 6.442 -1.741 1.00 43.42 H new ATOM 0 HD1 TYR A 39 -8.005 2.959 -3.087 1.00 2.43 H new ATOM 0 HD2 TYR A 39 -10.099 6.660 -3.489 1.00 64.11 H new ATOM 0 HE1 TYR A 39 -9.494 1.947 -4.749 1.00 72.10 H new ATOM 0 HE2 TYR A 39 -11.581 5.634 -5.153 1.00 50.11 H new ATOM 0 HH TYR A 39 -11.220 3.515 -6.884 1.00 24.32 H new ATOM 628 N LYS A 40 -6.434 7.920 -1.273 1.00 20.21 N ATOM 629 CA LYS A 40 -5.962 8.816 -0.198 1.00 1.11 C ATOM 630 C LYS A 40 -7.172 9.326 0.647 1.00 14.03 C ATOM 631 O LYS A 40 -7.601 8.663 1.598 1.00 74.52 O ATOM 632 CB LYS A 40 -5.120 9.982 -0.806 1.00 41.21 C ATOM 633 CG LYS A 40 -4.521 10.961 0.236 1.00 33.02 C ATOM 634 CD LYS A 40 -3.839 12.210 -0.389 1.00 21.51 C ATOM 635 CE LYS A 40 -2.455 11.941 -1.012 1.00 32.31 C ATOM 636 NZ LYS A 40 -2.477 11.105 -2.241 1.00 75.33 N ATOM 0 H LYS A 40 -7.239 8.282 -1.784 1.00 20.21 H new ATOM 0 HA LYS A 40 -5.309 8.267 0.480 1.00 1.11 H new ATOM 0 HB2 LYS A 40 -4.307 9.556 -1.394 1.00 41.21 H new ATOM 0 HB3 LYS A 40 -5.750 10.546 -1.494 1.00 41.21 H new ATOM 0 HG2 LYS A 40 -5.314 11.291 0.907 1.00 33.02 H new ATOM 0 HG3 LYS A 40 -3.791 10.427 0.843 1.00 33.02 H new ATOM 0 HD2 LYS A 40 -4.495 12.620 -1.157 1.00 21.51 H new ATOM 0 HD3 LYS A 40 -3.734 12.974 0.381 1.00 21.51 H new ATOM 0 HE2 LYS A 40 -1.986 12.896 -1.248 1.00 32.31 H new ATOM 0 HE3 LYS A 40 -1.826 11.452 -0.268 1.00 32.31 H new ATOM 0 HZ1 LYS A 40 -1.712 11.405 -2.879 1.00 75.33 H new ATOM 0 HZ2 LYS A 40 -2.342 10.106 -1.984 1.00 75.33 H new ATOM 0 HZ3 LYS A 40 -3.393 11.218 -2.721 1.00 75.33 H new ATOM 650 N ASP A 41 -7.732 10.479 0.257 1.00 60.42 N ATOM 651 CA ASP A 41 -8.901 11.115 0.914 1.00 42.40 C ATOM 652 C ASP A 41 -10.234 10.525 0.385 1.00 52.13 C ATOM 653 O ASP A 41 -11.214 10.386 1.119 1.00 34.34 O ATOM 654 CB ASP A 41 -8.839 12.655 0.667 1.00 73.21 C ATOM 655 CG ASP A 41 -8.539 12.999 -0.809 1.00 3.43 C ATOM 656 OD1 ASP A 41 -9.476 13.060 -1.631 1.00 74.20 O ATOM 657 OD2 ASP A 41 -7.347 13.131 -1.167 1.00 25.00 O ATOM 0 H ASP A 41 -7.384 11.013 -0.539 1.00 60.42 H new ATOM 0 HA ASP A 41 -8.864 10.913 1.985 1.00 42.40 H new ATOM 0 HB2 ASP A 41 -9.788 13.106 0.958 1.00 73.21 H new ATOM 0 HB3 ASP A 41 -8.070 13.092 1.304 1.00 73.21 H new ATOM 662 N GLY A 42 -10.224 10.177 -0.901 1.00 54.24 N ATOM 663 CA GLY A 42 -11.392 9.650 -1.619 1.00 12.42 C ATOM 664 C GLY A 42 -11.057 9.421 -3.091 1.00 41.43 C ATOM 665 O GLY A 42 -11.630 8.546 -3.751 1.00 31.32 O ATOM 0 H GLY A 42 -9.392 10.253 -1.486 1.00 54.24 H new ATOM 0 HA2 GLY A 42 -11.714 8.714 -1.163 1.00 12.42 H new ATOM 0 HA3 GLY A 42 -12.224 10.349 -1.534 1.00 12.42 H new ATOM 669 N GLN A 43 -10.112 10.241 -3.592 1.00 2.54 N ATOM 670 CA GLN A 43 -9.494 10.063 -4.918 1.00 2.43 C ATOM 671 C GLN A 43 -8.487 8.888 -4.901 1.00 23.50 C ATOM 672 O GLN A 43 -7.840 8.624 -3.872 1.00 4.32 O ATOM 673 CB GLN A 43 -8.763 11.367 -5.353 1.00 74.24 C ATOM 674 CG GLN A 43 -7.628 11.812 -4.398 1.00 0.24 C ATOM 675 CD GLN A 43 -6.796 12.991 -4.917 1.00 74.14 C ATOM 676 OE1 GLN A 43 -6.605 13.156 -6.117 1.00 4.54 O ATOM 677 NE2 GLN A 43 -6.298 13.823 -4.019 1.00 24.21 N ATOM 0 H GLN A 43 -9.755 11.050 -3.084 1.00 2.54 H new ATOM 0 HA GLN A 43 -10.286 9.838 -5.632 1.00 2.43 H new ATOM 0 HB2 GLN A 43 -8.346 11.221 -6.350 1.00 74.24 H new ATOM 0 HB3 GLN A 43 -9.495 12.172 -5.428 1.00 74.24 H new ATOM 0 HG2 GLN A 43 -8.063 12.084 -3.437 1.00 0.24 H new ATOM 0 HG3 GLN A 43 -6.966 10.965 -4.220 1.00 0.24 H new ATOM 0 HE21 GLN A 43 -6.471 13.665 -3.026 1.00 24.21 H new ATOM 0 HE22 GLN A 43 -5.741 14.623 -4.319 1.00 24.21 H new ATOM 686 N GLU A 44 -8.370 8.183 -6.036 1.00 30.43 N ATOM 687 CA GLU A 44 -7.326 7.162 -6.240 1.00 54.03 C ATOM 688 C GLU A 44 -6.085 7.791 -6.915 1.00 15.33 C ATOM 689 O GLU A 44 -6.190 8.734 -7.707 1.00 30.32 O ATOM 690 CB GLU A 44 -7.882 5.943 -7.032 1.00 12.51 C ATOM 691 CG GLU A 44 -8.537 6.281 -8.379 1.00 34.14 C ATOM 692 CD GLU A 44 -9.253 5.076 -9.022 1.00 44.42 C ATOM 693 OE1 GLU A 44 -10.292 4.630 -8.479 1.00 43.42 O ATOM 694 OE2 GLU A 44 -8.798 4.582 -10.076 1.00 1.21 O ATOM 0 H GLU A 44 -8.992 8.302 -6.836 1.00 30.43 H new ATOM 0 HA GLU A 44 -7.010 6.782 -5.269 1.00 54.03 H new ATOM 0 HB2 GLU A 44 -7.066 5.242 -7.209 1.00 12.51 H new ATOM 0 HB3 GLU A 44 -8.614 5.429 -6.409 1.00 12.51 H new ATOM 0 HG2 GLU A 44 -9.255 7.088 -8.235 1.00 34.14 H new ATOM 0 HG3 GLU A 44 -7.775 6.651 -9.064 1.00 34.14 H new ATOM 701 N VAL A 45 -4.911 7.253 -6.572 1.00 54.53 N ATOM 702 CA VAL A 45 -3.601 7.835 -6.911 1.00 0.20 C ATOM 703 C VAL A 45 -3.111 7.323 -8.286 1.00 74.44 C ATOM 704 O VAL A 45 -2.693 6.166 -8.416 1.00 73.30 O ATOM 705 CB VAL A 45 -2.529 7.498 -5.791 1.00 31.55 C ATOM 706 CG1 VAL A 45 -1.154 8.164 -6.086 1.00 31.21 C ATOM 707 CG2 VAL A 45 -3.049 7.886 -4.376 1.00 21.20 C ATOM 0 H VAL A 45 -4.839 6.385 -6.041 1.00 54.53 H new ATOM 0 HA VAL A 45 -3.720 8.917 -6.965 1.00 0.20 H new ATOM 0 HB VAL A 45 -2.376 6.419 -5.807 1.00 31.55 H new ATOM 0 HG11 VAL A 45 -0.449 7.908 -5.295 1.00 31.21 H new ATOM 0 HG12 VAL A 45 -0.773 7.805 -7.042 1.00 31.21 H new ATOM 0 HG13 VAL A 45 -1.275 9.246 -6.128 1.00 31.21 H new ATOM 0 HG21 VAL A 45 -2.292 7.643 -3.631 1.00 21.20 H new ATOM 0 HG22 VAL A 45 -3.258 8.955 -4.346 1.00 21.20 H new ATOM 0 HG23 VAL A 45 -3.962 7.332 -4.159 1.00 21.20 H new ATOM 717 N GLU A 46 -3.189 8.192 -9.313 1.00 21.45 N ATOM 718 CA GLU A 46 -2.592 7.925 -10.638 1.00 3.25 C ATOM 719 C GLU A 46 -1.175 8.554 -10.676 1.00 3.12 C ATOM 720 O GLU A 46 -0.911 9.489 -11.443 1.00 72.03 O ATOM 721 CB GLU A 46 -3.490 8.497 -11.778 1.00 61.32 C ATOM 722 CG GLU A 46 -3.044 8.107 -13.215 1.00 22.32 C ATOM 723 CD GLU A 46 -3.511 9.107 -14.283 1.00 63.11 C ATOM 724 OE1 GLU A 46 -2.813 10.121 -14.497 1.00 11.20 O ATOM 725 OE2 GLU A 46 -4.585 8.903 -14.889 1.00 75.53 O ATOM 0 H GLU A 46 -3.664 9.093 -9.249 1.00 21.45 H new ATOM 0 HA GLU A 46 -2.518 6.849 -10.798 1.00 3.25 H new ATOM 0 HB2 GLU A 46 -4.513 8.152 -11.624 1.00 61.32 H new ATOM 0 HB3 GLU A 46 -3.505 9.584 -11.699 1.00 61.32 H new ATOM 0 HG2 GLU A 46 -1.957 8.034 -13.244 1.00 22.32 H new ATOM 0 HG3 GLU A 46 -3.436 7.119 -13.455 1.00 22.32 H new ATOM 732 N GLU A 47 -0.284 8.025 -9.801 1.00 11.43 N ATOM 733 CA GLU A 47 1.116 8.493 -9.617 1.00 50.24 C ATOM 734 C GLU A 47 1.228 10.043 -9.476 1.00 73.23 C ATOM 735 O GLU A 47 1.274 10.753 -10.484 1.00 65.11 O ATOM 736 CB GLU A 47 2.042 7.992 -10.773 1.00 0.04 C ATOM 737 CG GLU A 47 2.009 6.468 -11.064 1.00 63.14 C ATOM 738 CD GLU A 47 0.855 6.028 -11.990 1.00 2.14 C ATOM 739 OE1 GLU A 47 0.877 6.394 -13.190 1.00 41.11 O ATOM 740 OE2 GLU A 47 -0.084 5.339 -11.529 1.00 70.01 O ATOM 0 H GLU A 47 -0.522 7.244 -9.190 1.00 11.43 H new ATOM 0 HA GLU A 47 1.453 8.057 -8.677 1.00 50.24 H new ATOM 0 HB2 GLU A 47 1.768 8.521 -11.686 1.00 0.04 H new ATOM 0 HB3 GLU A 47 3.068 8.274 -10.537 1.00 0.04 H new ATOM 0 HG2 GLU A 47 2.956 6.175 -11.517 1.00 63.14 H new ATOM 0 HG3 GLU A 47 1.928 5.930 -10.119 1.00 63.14 H new ATOM 747 N SER A 48 1.267 10.569 -8.235 1.00 61.43 N ATOM 748 CA SER A 48 1.387 12.038 -7.992 1.00 62.50 C ATOM 749 C SER A 48 2.851 12.534 -8.219 1.00 20.13 C ATOM 750 O SER A 48 3.558 12.873 -7.265 1.00 72.35 O ATOM 751 CB SER A 48 0.912 12.404 -6.561 1.00 73.12 C ATOM 752 OG SER A 48 -0.372 11.875 -6.264 1.00 70.22 O ATOM 0 H SER A 48 1.218 10.009 -7.384 1.00 61.43 H new ATOM 0 HA SER A 48 0.742 12.542 -8.712 1.00 62.50 H new ATOM 0 HB2 SER A 48 1.633 12.029 -5.835 1.00 73.12 H new ATOM 0 HB3 SER A 48 0.888 13.489 -6.455 1.00 73.12 H new ATOM 0 HG SER A 48 -0.628 12.130 -5.353 1.00 70.22 H new ATOM 758 N ASP A 49 3.261 12.546 -9.506 1.00 30.43 N ATOM 759 CA ASP A 49 4.625 12.910 -10.001 1.00 71.41 C ATOM 760 C ASP A 49 5.783 12.108 -9.317 1.00 74.32 C ATOM 761 O ASP A 49 6.434 11.275 -9.951 1.00 44.42 O ATOM 762 CB ASP A 49 4.860 14.445 -9.908 1.00 21.32 C ATOM 763 CG ASP A 49 6.126 14.904 -10.656 1.00 54.04 C ATOM 764 OD1 ASP A 49 6.111 14.921 -11.902 1.00 64.40 O ATOM 765 OD2 ASP A 49 7.136 15.246 -10.008 1.00 52.21 O ATOM 0 H ASP A 49 2.631 12.293 -10.267 1.00 30.43 H new ATOM 0 HA ASP A 49 4.652 12.617 -11.050 1.00 71.41 H new ATOM 0 HB2 ASP A 49 3.994 14.965 -10.317 1.00 21.32 H new ATOM 0 HB3 ASP A 49 4.939 14.732 -8.860 1.00 21.32 H new ATOM 770 N PHE A 50 6.040 12.396 -8.036 1.00 74.33 N ATOM 771 CA PHE A 50 7.037 11.684 -7.206 1.00 10.50 C ATOM 772 C PHE A 50 6.615 10.216 -6.937 1.00 11.23 C ATOM 773 O PHE A 50 7.461 9.319 -6.927 1.00 14.20 O ATOM 774 CB PHE A 50 7.242 12.449 -5.863 1.00 11.21 C ATOM 775 CG PHE A 50 7.903 13.828 -6.011 1.00 73.10 C ATOM 776 CD1 PHE A 50 7.262 14.872 -6.680 1.00 12.23 C ATOM 777 CD2 PHE A 50 9.173 14.075 -5.490 1.00 63.23 C ATOM 778 CE1 PHE A 50 7.866 16.109 -6.822 1.00 62.31 C ATOM 779 CE2 PHE A 50 9.776 15.311 -5.633 1.00 22.51 C ATOM 780 CZ PHE A 50 9.122 16.328 -6.298 1.00 13.35 C ATOM 0 H PHE A 50 5.557 13.141 -7.533 1.00 74.33 H new ATOM 0 HA PHE A 50 7.979 11.655 -7.754 1.00 10.50 H new ATOM 0 HB2 PHE A 50 6.273 12.574 -5.379 1.00 11.21 H new ATOM 0 HB3 PHE A 50 7.853 11.836 -5.200 1.00 11.21 H new ATOM 0 HD1 PHE A 50 6.277 14.712 -7.094 1.00 12.23 H new ATOM 0 HD2 PHE A 50 9.694 13.287 -4.966 1.00 63.23 H new ATOM 0 HE1 PHE A 50 7.353 16.903 -7.344 1.00 62.31 H new ATOM 0 HE2 PHE A 50 10.761 15.481 -5.223 1.00 22.51 H new ATOM 0 HZ PHE A 50 9.593 17.294 -6.408 1.00 13.35 H new ATOM 790 N VAL A 51 5.300 9.986 -6.733 1.00 31.52 N ATOM 791 CA VAL A 51 4.759 8.641 -6.411 1.00 11.11 C ATOM 792 C VAL A 51 5.028 7.620 -7.548 1.00 12.22 C ATOM 793 O VAL A 51 4.665 7.851 -8.705 1.00 42.42 O ATOM 794 CB VAL A 51 3.211 8.684 -6.134 1.00 11.32 C ATOM 795 CG1 VAL A 51 2.655 7.289 -5.748 1.00 43.43 C ATOM 796 CG2 VAL A 51 2.867 9.732 -5.055 1.00 21.12 C ATOM 0 H VAL A 51 4.589 10.715 -6.785 1.00 31.52 H new ATOM 0 HA VAL A 51 5.280 8.320 -5.509 1.00 11.11 H new ATOM 0 HB VAL A 51 2.726 8.982 -7.064 1.00 11.32 H new ATOM 0 HG11 VAL A 51 1.583 7.362 -5.565 1.00 43.43 H new ATOM 0 HG12 VAL A 51 2.837 6.587 -6.562 1.00 43.43 H new ATOM 0 HG13 VAL A 51 3.154 6.936 -4.846 1.00 43.43 H new ATOM 0 HG21 VAL A 51 1.790 9.739 -4.885 1.00 21.12 H new ATOM 0 HG22 VAL A 51 3.380 9.480 -4.127 1.00 21.12 H new ATOM 0 HG23 VAL A 51 3.188 10.718 -5.390 1.00 21.12 H new ATOM 806 N VAL A 52 5.690 6.503 -7.201 1.00 12.23 N ATOM 807 CA VAL A 52 5.908 5.362 -8.114 1.00 63.33 C ATOM 808 C VAL A 52 5.200 4.091 -7.567 1.00 43.04 C ATOM 809 O VAL A 52 5.347 3.738 -6.393 1.00 23.31 O ATOM 810 CB VAL A 52 7.448 5.107 -8.372 1.00 13.04 C ATOM 811 CG1 VAL A 52 8.079 6.300 -9.140 1.00 31.15 C ATOM 812 CG2 VAL A 52 8.228 4.833 -7.058 1.00 63.05 C ATOM 0 H VAL A 52 6.092 6.363 -6.274 1.00 12.23 H new ATOM 0 HA VAL A 52 5.465 5.609 -9.079 1.00 63.33 H new ATOM 0 HB VAL A 52 7.525 4.209 -8.986 1.00 13.04 H new ATOM 0 HG11 VAL A 52 9.138 6.105 -9.308 1.00 31.15 H new ATOM 0 HG12 VAL A 52 7.576 6.422 -10.099 1.00 31.15 H new ATOM 0 HG13 VAL A 52 7.966 7.211 -8.553 1.00 31.15 H new ATOM 0 HG21 VAL A 52 9.280 4.664 -7.288 1.00 63.05 H new ATOM 0 HG22 VAL A 52 8.135 5.692 -6.394 1.00 63.05 H new ATOM 0 HG23 VAL A 52 7.817 3.950 -6.568 1.00 63.05 H new ATOM 822 N LEU A 53 4.388 3.440 -8.422 1.00 41.42 N ATOM 823 CA LEU A 53 3.600 2.237 -8.049 1.00 45.12 C ATOM 824 C LEU A 53 4.240 0.960 -8.640 1.00 12.01 C ATOM 825 O LEU A 53 4.364 0.833 -9.862 1.00 74.31 O ATOM 826 CB LEU A 53 2.131 2.389 -8.545 1.00 63.04 C ATOM 827 CG LEU A 53 1.328 3.597 -7.953 1.00 24.05 C ATOM 828 CD1 LEU A 53 -0.096 3.674 -8.546 1.00 52.11 C ATOM 829 CD2 LEU A 53 1.281 3.532 -6.412 1.00 22.35 C ATOM 0 H LEU A 53 4.256 3.729 -9.391 1.00 41.42 H new ATOM 0 HA LEU A 53 3.598 2.144 -6.963 1.00 45.12 H new ATOM 0 HB2 LEU A 53 2.143 2.483 -9.631 1.00 63.04 H new ATOM 0 HB3 LEU A 53 1.593 1.471 -8.311 1.00 63.04 H new ATOM 0 HG LEU A 53 1.854 4.509 -8.236 1.00 24.05 H new ATOM 0 HD11 LEU A 53 -0.625 4.523 -8.113 1.00 52.11 H new ATOM 0 HD12 LEU A 53 -0.034 3.798 -9.627 1.00 52.11 H new ATOM 0 HD13 LEU A 53 -0.636 2.755 -8.317 1.00 52.11 H new ATOM 0 HD21 LEU A 53 0.717 4.383 -6.029 1.00 22.35 H new ATOM 0 HD22 LEU A 53 0.796 2.606 -6.101 1.00 22.35 H new ATOM 0 HD23 LEU A 53 2.296 3.561 -6.015 1.00 22.35 H new ATOM 841 N GLU A 54 4.659 0.026 -7.764 1.00 52.43 N ATOM 842 CA GLU A 54 5.269 -1.266 -8.173 1.00 73.34 C ATOM 843 C GLU A 54 4.286 -2.446 -7.964 1.00 14.34 C ATOM 844 O GLU A 54 3.603 -2.525 -6.933 1.00 21.23 O ATOM 845 CB GLU A 54 6.581 -1.505 -7.376 1.00 61.34 C ATOM 846 CG GLU A 54 7.668 -0.428 -7.599 1.00 14.24 C ATOM 847 CD GLU A 54 8.967 -0.720 -6.830 1.00 14.04 C ATOM 848 OE1 GLU A 54 9.781 -1.545 -7.298 1.00 35.31 O ATOM 849 OE2 GLU A 54 9.167 -0.163 -5.733 1.00 55.44 O ATOM 0 H GLU A 54 4.587 0.140 -6.753 1.00 52.43 H new ATOM 0 HA GLU A 54 5.500 -1.213 -9.237 1.00 73.34 H new ATOM 0 HB2 GLU A 54 6.343 -1.550 -6.313 1.00 61.34 H new ATOM 0 HB3 GLU A 54 6.988 -2.478 -7.653 1.00 61.34 H new ATOM 0 HG2 GLU A 54 7.890 -0.358 -8.664 1.00 14.24 H new ATOM 0 HG3 GLU A 54 7.279 0.542 -7.290 1.00 14.24 H new ATOM 856 N ASN A 55 4.235 -3.364 -8.952 1.00 2.21 N ATOM 857 CA ASN A 55 3.326 -4.533 -8.943 1.00 60.45 C ATOM 858 C ASN A 55 4.069 -5.826 -9.360 1.00 35.10 C ATOM 859 O ASN A 55 4.713 -5.871 -10.409 1.00 1.44 O ATOM 860 CB ASN A 55 2.122 -4.267 -9.890 1.00 51.55 C ATOM 861 CG ASN A 55 1.128 -5.434 -10.021 1.00 1.14 C ATOM 862 OD1 ASN A 55 0.546 -5.646 -11.081 1.00 52.30 O ATOM 863 ND2 ASN A 55 0.883 -6.177 -8.944 1.00 34.33 N ATOM 0 H ASN A 55 4.825 -3.316 -9.783 1.00 2.21 H new ATOM 0 HA ASN A 55 2.959 -4.677 -7.927 1.00 60.45 H new ATOM 0 HB2 ASN A 55 1.584 -3.390 -9.531 1.00 51.55 H new ATOM 0 HB3 ASN A 55 2.505 -4.023 -10.881 1.00 51.55 H new ATOM 0 HD21 ASN A 55 0.203 -6.936 -8.992 1.00 34.33 H new ATOM 0 HD22 ASN A 55 1.375 -5.988 -8.071 1.00 34.33 H new ATOM 870 N GLU A 56 3.949 -6.875 -8.527 1.00 30.51 N ATOM 871 CA GLU A 56 4.472 -8.222 -8.827 1.00 51.33 C ATOM 872 C GLU A 56 3.456 -9.278 -8.335 1.00 12.31 C ATOM 873 O GLU A 56 3.532 -9.741 -7.193 1.00 75.23 O ATOM 874 CB GLU A 56 5.873 -8.419 -8.169 1.00 21.31 C ATOM 875 CG GLU A 56 6.554 -9.771 -8.470 1.00 1.43 C ATOM 876 CD GLU A 56 6.803 -10.015 -9.970 1.00 13.11 C ATOM 877 OE1 GLU A 56 7.760 -9.432 -10.525 1.00 1.44 O ATOM 878 OE2 GLU A 56 6.044 -10.786 -10.604 1.00 23.34 O ATOM 0 H GLU A 56 3.484 -6.813 -7.621 1.00 30.51 H new ATOM 0 HA GLU A 56 4.602 -8.340 -9.903 1.00 51.33 H new ATOM 0 HB2 GLU A 56 6.530 -7.616 -8.504 1.00 21.31 H new ATOM 0 HB3 GLU A 56 5.768 -8.315 -7.089 1.00 21.31 H new ATOM 0 HG2 GLU A 56 7.506 -9.815 -7.940 1.00 1.43 H new ATOM 0 HG3 GLU A 56 5.933 -10.576 -8.077 1.00 1.43 H new ATOM 885 N GLY A 57 2.468 -9.602 -9.192 1.00 24.44 N ATOM 886 CA GLY A 57 1.375 -10.522 -8.831 1.00 55.42 C ATOM 887 C GLY A 57 0.446 -9.961 -7.735 1.00 42.42 C ATOM 888 O GLY A 57 -0.231 -8.949 -7.974 1.00 32.03 O ATOM 0 H GLY A 57 2.406 -9.238 -10.143 1.00 24.44 H new ATOM 0 HA2 GLY A 57 0.785 -10.742 -9.721 1.00 55.42 H new ATOM 0 HA3 GLY A 57 1.801 -11.466 -8.490 1.00 55.42 H new ATOM 892 N PRO A 58 0.403 -10.576 -6.501 1.00 33.23 N ATOM 893 CA PRO A 58 -0.387 -10.036 -5.374 1.00 72.33 C ATOM 894 C PRO A 58 0.309 -8.829 -4.680 1.00 35.12 C ATOM 895 O PRO A 58 -0.334 -8.095 -3.920 1.00 31.24 O ATOM 896 CB PRO A 58 -0.552 -11.247 -4.405 1.00 34.33 C ATOM 897 CG PRO A 58 0.328 -12.360 -4.937 1.00 1.42 C ATOM 898 CD PRO A 58 1.119 -11.816 -6.114 1.00 31.02 C ATOM 0 HA PRO A 58 -1.344 -9.636 -5.707 1.00 72.33 H new ATOM 0 HB2 PRO A 58 -0.258 -10.973 -3.392 1.00 34.33 H new ATOM 0 HB3 PRO A 58 -1.593 -11.566 -4.360 1.00 34.33 H new ATOM 0 HG2 PRO A 58 1.002 -12.717 -4.158 1.00 1.42 H new ATOM 0 HG3 PRO A 58 -0.280 -13.210 -5.247 1.00 1.42 H new ATOM 0 HD2 PRO A 58 2.152 -11.607 -5.836 1.00 31.02 H new ATOM 0 HD3 PRO A 58 1.149 -12.531 -6.937 1.00 31.02 H new ATOM 906 N HIS A 59 1.621 -8.637 -4.958 1.00 15.53 N ATOM 907 CA HIS A 59 2.434 -7.541 -4.381 1.00 24.30 C ATOM 908 C HIS A 59 2.053 -6.185 -5.035 1.00 31.31 C ATOM 909 O HIS A 59 2.221 -6.010 -6.241 1.00 35.33 O ATOM 910 CB HIS A 59 3.954 -7.820 -4.590 1.00 33.42 C ATOM 911 CG HIS A 59 4.477 -9.095 -3.968 1.00 61.44 C ATOM 912 ND1 HIS A 59 4.169 -10.397 -4.197 1.00 23.45 N flip ATOM 913 CD2 HIS A 59 5.480 -9.114 -3.022 1.00 24.43 C flip ATOM 914 CE1 HIS A 59 4.986 -11.153 -3.398 1.00 41.31 C flip ATOM 915 NE2 HIS A 59 5.766 -10.358 -2.699 1.00 15.13 N flip ATOM 0 H HIS A 59 2.146 -9.240 -5.591 1.00 15.53 H new ATOM 0 HA HIS A 59 2.230 -7.490 -3.312 1.00 24.30 H new ATOM 0 HB2 HIS A 59 4.155 -7.850 -5.661 1.00 33.42 H new ATOM 0 HB3 HIS A 59 4.518 -6.981 -4.183 1.00 33.42 H new ATOM 0 HD2 HIS A 59 5.959 -8.239 -2.608 1.00 24.43 H new ATOM 0 HE1 HIS A 59 4.989 -12.232 -3.350 1.00 41.31 H new ATOM 0 HE2 HIS A 59 6.471 -10.654 -2.023 1.00 15.13 H new ATOM 924 N ARG A 60 1.518 -5.257 -4.231 1.00 60.44 N ATOM 925 CA ARG A 60 1.109 -3.898 -4.673 1.00 33.04 C ATOM 926 C ARG A 60 1.623 -2.852 -3.662 1.00 71.22 C ATOM 927 O ARG A 60 1.072 -2.740 -2.570 1.00 13.41 O ATOM 928 CB ARG A 60 -0.451 -3.822 -4.775 1.00 41.33 C ATOM 929 CG ARG A 60 -1.073 -4.451 -6.044 1.00 45.12 C ATOM 930 CD ARG A 60 -0.852 -3.579 -7.294 1.00 23.34 C ATOM 931 NE ARG A 60 -1.549 -4.122 -8.479 1.00 71.11 N ATOM 932 CZ ARG A 60 -1.950 -3.417 -9.523 1.00 71.03 C ATOM 933 NH1 ARG A 60 -1.789 -2.127 -9.577 1.00 43.44 N ATOM 934 NH2 ARG A 60 -2.507 -4.012 -10.525 1.00 34.35 N ATOM 0 H ARG A 60 1.351 -5.422 -3.238 1.00 60.44 H new ATOM 0 HA ARG A 60 1.538 -3.691 -5.653 1.00 33.04 H new ATOM 0 HB2 ARG A 60 -0.878 -4.314 -3.901 1.00 41.33 H new ATOM 0 HB3 ARG A 60 -0.749 -2.775 -4.728 1.00 41.33 H new ATOM 0 HG2 ARG A 60 -0.638 -5.437 -6.209 1.00 45.12 H new ATOM 0 HG3 ARG A 60 -2.142 -4.596 -5.889 1.00 45.12 H new ATOM 0 HD2 ARG A 60 -1.206 -2.567 -7.097 1.00 23.34 H new ATOM 0 HD3 ARG A 60 0.216 -3.508 -7.502 1.00 23.34 H new ATOM 0 HE ARG A 60 -1.736 -5.125 -8.492 1.00 71.11 H new ATOM 0 HH11 ARG A 60 -1.344 -1.636 -8.802 1.00 43.44 H new ATOM 0 HH12 ARG A 60 -2.108 -1.607 -10.395 1.00 43.44 H new ATOM 0 HH21 ARG A 60 -2.637 -5.024 -10.510 1.00 34.35 H new ATOM 0 HH22 ARG A 60 -2.817 -3.470 -11.332 1.00 34.35 H new ATOM 948 N ARG A 61 2.679 -2.086 -4.011 1.00 4.25 N ATOM 949 CA ARG A 61 3.279 -1.102 -3.069 1.00 31.23 C ATOM 950 C ARG A 61 3.403 0.323 -3.672 1.00 12.24 C ATOM 951 O ARG A 61 3.805 0.506 -4.825 1.00 24.24 O ATOM 952 CB ARG A 61 4.646 -1.618 -2.531 1.00 23.10 C ATOM 953 CG ARG A 61 5.758 -1.809 -3.585 1.00 62.45 C ATOM 954 CD ARG A 61 7.062 -2.351 -2.962 1.00 71.41 C ATOM 955 NE ARG A 61 8.180 -2.381 -3.922 1.00 50.52 N ATOM 956 CZ ARG A 61 9.276 -3.105 -3.800 1.00 44.31 C ATOM 957 NH1 ARG A 61 9.429 -3.942 -2.818 1.00 43.13 N ATOM 958 NH2 ARG A 61 10.216 -2.982 -4.677 1.00 25.00 N ATOM 0 H ARG A 61 3.132 -2.124 -4.924 1.00 4.25 H new ATOM 0 HA ARG A 61 2.590 -1.009 -2.230 1.00 31.23 H new ATOM 0 HB2 ARG A 61 5.004 -0.918 -1.776 1.00 23.10 H new ATOM 0 HB3 ARG A 61 4.480 -2.571 -2.029 1.00 23.10 H new ATOM 0 HG2 ARG A 61 5.412 -2.497 -4.356 1.00 62.45 H new ATOM 0 HG3 ARG A 61 5.960 -0.857 -4.075 1.00 62.45 H new ATOM 0 HD2 ARG A 61 7.337 -1.731 -2.109 1.00 71.41 H new ATOM 0 HD3 ARG A 61 6.888 -3.358 -2.582 1.00 71.41 H new ATOM 0 HE ARG A 61 8.099 -1.792 -4.751 1.00 50.52 H new ATOM 0 HH11 ARG A 61 8.693 -4.050 -2.121 1.00 43.13 H new ATOM 0 HH12 ARG A 61 10.285 -4.491 -2.745 1.00 43.13 H new ATOM 0 HH21 ARG A 61 10.107 -2.330 -5.454 1.00 25.00 H new ATOM 0 HH22 ARG A 61 11.068 -3.537 -4.593 1.00 25.00 H new ATOM 972 N LEU A 62 3.018 1.323 -2.853 1.00 74.15 N ATOM 973 CA LEU A 62 3.122 2.761 -3.162 1.00 23.21 C ATOM 974 C LEU A 62 4.408 3.325 -2.527 1.00 12.24 C ATOM 975 O LEU A 62 4.509 3.450 -1.301 1.00 61.34 O ATOM 976 CB LEU A 62 1.836 3.482 -2.646 1.00 3.43 C ATOM 977 CG LEU A 62 1.693 5.035 -2.888 1.00 24.15 C ATOM 978 CD1 LEU A 62 0.219 5.449 -3.151 1.00 62.22 C ATOM 979 CD2 LEU A 62 2.254 5.852 -1.703 1.00 11.21 C ATOM 0 H LEU A 62 2.615 1.146 -1.933 1.00 74.15 H new ATOM 0 HA LEU A 62 3.189 2.928 -4.237 1.00 23.21 H new ATOM 0 HB2 LEU A 62 0.976 2.995 -3.106 1.00 3.43 H new ATOM 0 HB3 LEU A 62 1.766 3.306 -1.573 1.00 3.43 H new ATOM 0 HG LEU A 62 2.280 5.259 -3.779 1.00 24.15 H new ATOM 0 HD11 LEU A 62 0.167 6.526 -3.312 1.00 62.22 H new ATOM 0 HD12 LEU A 62 -0.152 4.931 -4.035 1.00 62.22 H new ATOM 0 HD13 LEU A 62 -0.393 5.181 -2.290 1.00 62.22 H new ATOM 0 HD21 LEU A 62 2.137 6.916 -1.907 1.00 11.21 H new ATOM 0 HD22 LEU A 62 1.710 5.595 -0.794 1.00 11.21 H new ATOM 0 HD23 LEU A 62 3.311 5.622 -1.570 1.00 11.21 H new ATOM 991 N VAL A 63 5.406 3.631 -3.366 1.00 42.33 N ATOM 992 CA VAL A 63 6.724 4.114 -2.913 1.00 21.10 C ATOM 993 C VAL A 63 6.897 5.628 -3.198 1.00 42.03 C ATOM 994 O VAL A 63 6.612 6.114 -4.301 1.00 13.44 O ATOM 995 CB VAL A 63 7.879 3.290 -3.596 1.00 62.34 C ATOM 996 CG1 VAL A 63 9.283 3.771 -3.143 1.00 12.12 C ATOM 997 CG2 VAL A 63 7.699 1.767 -3.346 1.00 55.43 C ATOM 0 H VAL A 63 5.326 3.552 -4.380 1.00 42.33 H new ATOM 0 HA VAL A 63 6.781 3.967 -1.834 1.00 21.10 H new ATOM 0 HB VAL A 63 7.812 3.468 -4.669 1.00 62.34 H new ATOM 0 HG11 VAL A 63 10.049 3.175 -3.639 1.00 12.12 H new ATOM 0 HG12 VAL A 63 9.411 4.820 -3.408 1.00 12.12 H new ATOM 0 HG13 VAL A 63 9.376 3.656 -2.063 1.00 12.12 H new ATOM 0 HG21 VAL A 63 8.510 1.221 -3.828 1.00 55.43 H new ATOM 0 HG22 VAL A 63 7.716 1.570 -2.274 1.00 55.43 H new ATOM 0 HG23 VAL A 63 6.745 1.441 -3.760 1.00 55.43 H new ATOM 1007 N LEU A 64 7.364 6.360 -2.174 1.00 45.43 N ATOM 1008 CA LEU A 64 7.694 7.796 -2.256 1.00 33.35 C ATOM 1009 C LEU A 64 9.218 8.012 -2.117 1.00 72.02 C ATOM 1010 O LEU A 64 9.795 7.620 -1.106 1.00 53.25 O ATOM 1011 CB LEU A 64 6.928 8.611 -1.152 1.00 3.24 C ATOM 1012 CG LEU A 64 5.677 9.410 -1.630 1.00 73.44 C ATOM 1013 CD1 LEU A 64 6.055 10.411 -2.743 1.00 64.34 C ATOM 1014 CD2 LEU A 64 4.545 8.468 -2.063 1.00 30.24 C ATOM 0 H LEU A 64 7.527 5.965 -1.248 1.00 45.43 H new ATOM 0 HA LEU A 64 7.377 8.159 -3.234 1.00 33.35 H new ATOM 0 HB2 LEU A 64 6.614 7.919 -0.371 1.00 3.24 H new ATOM 0 HB3 LEU A 64 7.628 9.311 -0.695 1.00 3.24 H new ATOM 0 HG LEU A 64 5.302 9.989 -0.786 1.00 73.44 H new ATOM 0 HD11 LEU A 64 5.166 10.956 -3.060 1.00 64.34 H new ATOM 0 HD12 LEU A 64 6.796 11.115 -2.363 1.00 64.34 H new ATOM 0 HD13 LEU A 64 6.471 9.870 -3.593 1.00 64.34 H new ATOM 0 HD21 LEU A 64 3.688 9.056 -2.391 1.00 30.24 H new ATOM 0 HD22 LEU A 64 4.889 7.839 -2.884 1.00 30.24 H new ATOM 0 HD23 LEU A 64 4.253 7.839 -1.222 1.00 30.24 H new ATOM 1026 N PRO A 65 9.893 8.608 -3.146 1.00 22.32 N ATOM 1027 CA PRO A 65 11.263 9.166 -2.986 1.00 72.23 C ATOM 1028 C PRO A 65 11.293 10.442 -2.082 1.00 63.04 C ATOM 1029 O PRO A 65 12.236 10.639 -1.306 1.00 13.04 O ATOM 1030 CB PRO A 65 11.684 9.484 -4.448 1.00 25.35 C ATOM 1031 CG PRO A 65 10.393 9.658 -5.194 1.00 43.41 C ATOM 1032 CD PRO A 65 9.419 8.697 -4.554 1.00 43.14 C ATOM 0 HA PRO A 65 11.939 8.475 -2.482 1.00 72.23 H new ATOM 0 HB2 PRO A 65 12.293 10.387 -4.496 1.00 25.35 H new ATOM 0 HB3 PRO A 65 12.279 8.675 -4.872 1.00 25.35 H new ATOM 0 HG2 PRO A 65 10.034 10.685 -5.122 1.00 43.41 H new ATOM 0 HG3 PRO A 65 10.521 9.438 -6.254 1.00 43.41 H new ATOM 0 HD2 PRO A 65 8.395 9.067 -4.610 1.00 43.14 H new ATOM 0 HD3 PRO A 65 9.434 7.724 -5.045 1.00 43.14 H new ATOM 1040 N ALA A 66 10.249 11.302 -2.202 1.00 44.44 N ATOM 1041 CA ALA A 66 10.107 12.537 -1.388 1.00 74.31 C ATOM 1042 C ALA A 66 8.624 12.781 -1.001 1.00 51.33 C ATOM 1043 O ALA A 66 7.801 13.151 -1.847 1.00 34.14 O ATOM 1044 CB ALA A 66 10.694 13.747 -2.138 1.00 54.32 C ATOM 0 H ALA A 66 9.485 11.160 -2.863 1.00 44.44 H new ATOM 0 HA ALA A 66 10.670 12.405 -0.464 1.00 74.31 H new ATOM 0 HB1 ALA A 66 10.582 14.643 -1.528 1.00 54.32 H new ATOM 0 HB2 ALA A 66 11.752 13.574 -2.337 1.00 54.32 H new ATOM 0 HB3 ALA A 66 10.165 13.882 -3.081 1.00 54.32 H new ATOM 1050 N THR A 67 8.307 12.559 0.287 1.00 62.43 N ATOM 1051 CA THR A 67 6.948 12.694 0.847 1.00 21.11 C ATOM 1052 C THR A 67 6.585 14.168 1.113 1.00 61.12 C ATOM 1053 O THR A 67 6.832 14.690 2.195 1.00 32.14 O ATOM 1054 CB THR A 67 6.798 11.869 2.176 1.00 25.13 C ATOM 1055 OG1 THR A 67 7.913 12.122 3.052 1.00 71.44 O ATOM 1056 CG2 THR A 67 6.673 10.368 1.917 1.00 63.32 C ATOM 0 H THR A 67 8.999 12.276 0.981 1.00 62.43 H new ATOM 0 HA THR A 67 6.259 12.297 0.101 1.00 21.11 H new ATOM 0 HB THR A 67 5.875 12.199 2.653 1.00 25.13 H new ATOM 0 HG1 THR A 67 7.897 13.059 3.340 1.00 71.44 H new ATOM 0 HG21 THR A 67 6.572 9.842 2.866 1.00 63.32 H new ATOM 0 HG22 THR A 67 5.794 10.177 1.301 1.00 63.32 H new ATOM 0 HG23 THR A 67 7.564 10.013 1.399 1.00 63.32 H new ATOM 1064 N GLN A 68 6.008 14.823 0.101 1.00 1.02 N ATOM 1065 CA GLN A 68 5.541 16.227 0.198 1.00 54.24 C ATOM 1066 C GLN A 68 4.171 16.313 0.939 1.00 64.42 C ATOM 1067 O GLN A 68 3.478 15.296 1.055 1.00 24.43 O ATOM 1068 CB GLN A 68 5.426 16.819 -1.237 1.00 3.13 C ATOM 1069 CG GLN A 68 6.701 16.682 -2.094 1.00 60.11 C ATOM 1070 CD GLN A 68 6.601 17.444 -3.416 1.00 41.44 C ATOM 1071 OE1 GLN A 68 7.038 18.582 -3.529 1.00 72.23 O ATOM 1072 NE2 GLN A 68 5.970 16.842 -4.402 1.00 43.10 N ATOM 0 H GLN A 68 5.847 14.402 -0.814 1.00 1.02 H new ATOM 0 HA GLN A 68 6.261 16.805 0.777 1.00 54.24 H new ATOM 0 HB2 GLN A 68 4.602 16.326 -1.754 1.00 3.13 H new ATOM 0 HB3 GLN A 68 5.168 17.875 -1.160 1.00 3.13 H new ATOM 0 HG2 GLN A 68 7.557 17.052 -1.529 1.00 60.11 H new ATOM 0 HG3 GLN A 68 6.886 15.628 -2.299 1.00 60.11 H new ATOM 0 HE21 GLN A 68 5.617 15.893 -4.278 1.00 43.10 H new ATOM 0 HE22 GLN A 68 5.834 17.324 -5.290 1.00 43.10 H new ATOM 1081 N PRO A 69 3.734 17.532 1.438 1.00 74.42 N ATOM 1082 CA PRO A 69 2.369 17.714 2.034 1.00 33.24 C ATOM 1083 C PRO A 69 1.218 17.437 1.013 1.00 41.43 C ATOM 1084 O PRO A 69 0.051 17.296 1.399 1.00 12.23 O ATOM 1085 CB PRO A 69 2.379 19.194 2.519 1.00 63.33 C ATOM 1086 CG PRO A 69 3.461 19.858 1.716 1.00 5.04 C ATOM 1087 CD PRO A 69 4.518 18.800 1.499 1.00 10.20 C ATOM 0 HA PRO A 69 2.173 17.005 2.838 1.00 33.24 H new ATOM 0 HB2 PRO A 69 1.413 19.671 2.351 1.00 63.33 H new ATOM 0 HB3 PRO A 69 2.585 19.258 3.588 1.00 63.33 H new ATOM 0 HG2 PRO A 69 3.074 20.225 0.766 1.00 5.04 H new ATOM 0 HG3 PRO A 69 3.871 20.718 2.247 1.00 5.04 H new ATOM 0 HD2 PRO A 69 5.075 18.972 0.578 1.00 10.20 H new ATOM 0 HD3 PRO A 69 5.244 18.785 2.312 1.00 10.20 H new ATOM 1095 N SER A 70 1.584 17.386 -0.288 1.00 12.24 N ATOM 1096 CA SER A 70 0.728 16.862 -1.385 1.00 21.13 C ATOM 1097 C SER A 70 0.202 15.433 -1.082 1.00 13.23 C ATOM 1098 O SER A 70 -0.989 15.146 -1.234 1.00 32.44 O ATOM 1099 CB SER A 70 1.542 16.840 -2.705 1.00 30.30 C ATOM 1100 OG SER A 70 0.852 16.164 -3.752 1.00 23.10 O ATOM 0 H SER A 70 2.494 17.711 -0.613 1.00 12.24 H new ATOM 0 HA SER A 70 -0.135 17.521 -1.478 1.00 21.13 H new ATOM 0 HB2 SER A 70 1.756 17.863 -3.015 1.00 30.30 H new ATOM 0 HB3 SER A 70 2.501 16.352 -2.530 1.00 30.30 H new ATOM 0 HG SER A 70 1.399 16.175 -4.565 1.00 23.10 H new ATOM 1106 N ASP A 71 1.119 14.546 -0.654 1.00 2.33 N ATOM 1107 CA ASP A 71 0.798 13.143 -0.312 1.00 1.34 C ATOM 1108 C ASP A 71 0.781 12.908 1.216 1.00 50.23 C ATOM 1109 O ASP A 71 0.971 11.781 1.687 1.00 61.32 O ATOM 1110 CB ASP A 71 1.757 12.190 -1.061 1.00 51.24 C ATOM 1111 CG ASP A 71 1.477 12.200 -2.581 1.00 51.02 C ATOM 1112 OD1 ASP A 71 0.532 11.489 -3.031 1.00 21.45 O ATOM 1113 OD2 ASP A 71 2.152 12.955 -3.320 1.00 71.30 O ATOM 0 H ASP A 71 2.105 14.779 -0.535 1.00 2.33 H new ATOM 0 HA ASP A 71 -0.216 12.922 -0.646 1.00 1.34 H new ATOM 0 HB2 ASP A 71 2.789 12.489 -0.876 1.00 51.24 H new ATOM 0 HB3 ASP A 71 1.644 11.177 -0.674 1.00 51.24 H new ATOM 1118 N GLY A 72 0.509 13.986 1.982 1.00 12.35 N ATOM 1119 CA GLY A 72 0.228 13.882 3.421 1.00 5.21 C ATOM 1120 C GLY A 72 -1.228 13.528 3.723 1.00 34.35 C ATOM 1121 O GLY A 72 -2.146 14.092 3.112 1.00 21.05 O ATOM 0 H GLY A 72 0.479 14.940 1.621 1.00 12.35 H new ATOM 0 HA2 GLY A 72 0.878 13.124 3.858 1.00 5.21 H new ATOM 0 HA3 GLY A 72 0.473 14.829 3.902 1.00 5.21 H new ATOM 1125 N GLY A 73 -1.439 12.596 4.665 1.00 35.14 N ATOM 1126 CA GLY A 73 -2.770 12.110 5.024 1.00 70.24 C ATOM 1127 C GLY A 73 -2.824 10.589 5.030 1.00 33.22 C ATOM 1128 O GLY A 73 -1.783 9.919 5.030 1.00 21.32 O ATOM 0 H GLY A 73 -0.686 12.160 5.198 1.00 35.14 H new ATOM 0 HA2 GLY A 73 -3.044 12.489 6.009 1.00 70.24 H new ATOM 0 HA3 GLY A 73 -3.503 12.499 4.318 1.00 70.24 H new ATOM 1132 N GLU A 74 -4.038 10.034 5.040 1.00 22.01 N ATOM 1133 CA GLU A 74 -4.252 8.577 5.066 1.00 3.22 C ATOM 1134 C GLU A 74 -4.410 8.015 3.644 1.00 52.53 C ATOM 1135 O GLU A 74 -4.884 8.709 2.753 1.00 13.43 O ATOM 1136 CB GLU A 74 -5.487 8.225 5.942 1.00 1.24 C ATOM 1137 CG GLU A 74 -5.285 8.465 7.459 1.00 55.42 C ATOM 1138 CD GLU A 74 -5.299 9.943 7.892 1.00 4.33 C ATOM 1139 OE1 GLU A 74 -6.402 10.519 8.023 1.00 42.21 O ATOM 1140 OE2 GLU A 74 -4.217 10.532 8.117 1.00 41.01 O ATOM 0 H GLU A 74 -4.902 10.577 5.030 1.00 22.01 H new ATOM 0 HA GLU A 74 -3.372 8.112 5.510 1.00 3.22 H new ATOM 0 HB2 GLU A 74 -6.338 8.816 5.603 1.00 1.24 H new ATOM 0 HB3 GLU A 74 -5.743 7.177 5.783 1.00 1.24 H new ATOM 0 HG2 GLU A 74 -6.067 7.935 8.003 1.00 55.42 H new ATOM 0 HG3 GLU A 74 -4.334 8.023 7.758 1.00 55.42 H new ATOM 1147 N PHE A 75 -3.973 6.761 3.445 1.00 42.02 N ATOM 1148 CA PHE A 75 -4.097 6.028 2.163 1.00 73.34 C ATOM 1149 C PHE A 75 -4.977 4.773 2.351 1.00 70.12 C ATOM 1150 O PHE A 75 -4.959 4.154 3.417 1.00 22.34 O ATOM 1151 CB PHE A 75 -2.689 5.643 1.623 1.00 33.31 C ATOM 1152 CG PHE A 75 -1.846 6.842 1.172 1.00 33.51 C ATOM 1153 CD1 PHE A 75 -1.156 7.626 2.099 1.00 30.23 C ATOM 1154 CD2 PHE A 75 -1.758 7.193 -0.177 1.00 23.14 C ATOM 1155 CE1 PHE A 75 -0.402 8.711 1.690 1.00 62.11 C ATOM 1156 CE2 PHE A 75 -1.002 8.278 -0.584 1.00 40.51 C ATOM 1157 CZ PHE A 75 -0.328 9.038 0.351 1.00 22.10 C ATOM 0 H PHE A 75 -3.517 6.216 4.176 1.00 42.02 H new ATOM 0 HA PHE A 75 -4.577 6.676 1.430 1.00 73.34 H new ATOM 0 HB2 PHE A 75 -2.148 5.103 2.400 1.00 33.31 H new ATOM 0 HB3 PHE A 75 -2.808 4.959 0.783 1.00 33.31 H new ATOM 0 HD1 PHE A 75 -1.212 7.382 3.150 1.00 30.23 H new ATOM 0 HD2 PHE A 75 -2.288 6.608 -0.914 1.00 23.14 H new ATOM 0 HE1 PHE A 75 0.130 9.303 2.420 1.00 62.11 H new ATOM 0 HE2 PHE A 75 -0.939 8.530 -1.632 1.00 40.51 H new ATOM 0 HZ PHE A 75 0.257 9.889 0.035 1.00 22.10 H new ATOM 1167 N GLN A 76 -5.745 4.403 1.310 1.00 52.24 N ATOM 1168 CA GLN A 76 -6.704 3.272 1.372 1.00 52.21 C ATOM 1169 C GLN A 76 -6.534 2.326 0.164 1.00 61.11 C ATOM 1170 O GLN A 76 -6.828 2.694 -0.972 1.00 61.32 O ATOM 1171 CB GLN A 76 -8.159 3.816 1.443 1.00 63.43 C ATOM 1172 CG GLN A 76 -9.253 2.726 1.436 1.00 32.12 C ATOM 1173 CD GLN A 76 -10.671 3.299 1.434 1.00 30.14 C ATOM 1174 OE1 GLN A 76 -11.272 3.511 2.477 1.00 33.11 O ATOM 1175 NE2 GLN A 76 -11.203 3.578 0.260 1.00 21.20 N ATOM 0 H GLN A 76 -5.723 4.873 0.405 1.00 52.24 H new ATOM 0 HA GLN A 76 -6.496 2.695 2.273 1.00 52.21 H new ATOM 0 HB2 GLN A 76 -8.266 4.414 2.348 1.00 63.43 H new ATOM 0 HB3 GLN A 76 -8.325 4.484 0.598 1.00 63.43 H new ATOM 0 HG2 GLN A 76 -9.122 2.094 0.558 1.00 32.12 H new ATOM 0 HG3 GLN A 76 -9.127 2.087 2.310 1.00 32.12 H new ATOM 0 HE21 GLN A 76 -10.679 3.391 -0.595 1.00 21.20 H new ATOM 0 HE22 GLN A 76 -12.138 3.981 0.207 1.00 21.20 H new ATOM 1184 N CYS A 77 -6.052 1.109 0.419 1.00 5.23 N ATOM 1185 CA CYS A 77 -5.950 0.054 -0.603 1.00 1.13 C ATOM 1186 C CYS A 77 -7.283 -0.705 -0.716 1.00 15.32 C ATOM 1187 O CYS A 77 -7.716 -1.301 0.256 1.00 3.41 O ATOM 1188 CB CYS A 77 -4.818 -0.913 -0.228 1.00 11.50 C ATOM 1189 SG CYS A 77 -3.236 -0.096 0.024 1.00 43.13 S ATOM 0 H CYS A 77 -5.720 0.822 1.340 1.00 5.23 H new ATOM 0 HA CYS A 77 -5.728 0.508 -1.569 1.00 1.13 H new ATOM 0 HB2 CYS A 77 -5.092 -1.446 0.682 1.00 11.50 H new ATOM 0 HB3 CYS A 77 -4.712 -1.659 -1.015 1.00 11.50 H new ATOM 0 HG CYS A 77 -3.073 0.823 -0.881 1.00 43.13 H new ATOM 1195 N VAL A 78 -7.945 -0.669 -1.887 1.00 41.01 N ATOM 1196 CA VAL A 78 -9.240 -1.381 -2.090 1.00 31.01 C ATOM 1197 C VAL A 78 -9.053 -2.626 -2.989 1.00 63.02 C ATOM 1198 O VAL A 78 -8.774 -2.502 -4.184 1.00 55.02 O ATOM 1199 CB VAL A 78 -10.341 -0.434 -2.698 1.00 75.25 C ATOM 1200 CG1 VAL A 78 -11.685 -1.184 -2.927 1.00 61.35 C ATOM 1201 CG2 VAL A 78 -10.548 0.812 -1.799 1.00 24.53 C ATOM 0 H VAL A 78 -7.615 -0.161 -2.708 1.00 41.01 H new ATOM 0 HA VAL A 78 -9.583 -1.705 -1.107 1.00 31.01 H new ATOM 0 HB VAL A 78 -9.986 -0.101 -3.673 1.00 75.25 H new ATOM 0 HG11 VAL A 78 -12.419 -0.496 -3.347 1.00 61.35 H new ATOM 0 HG12 VAL A 78 -11.526 -2.012 -3.618 1.00 61.35 H new ATOM 0 HG13 VAL A 78 -12.053 -1.570 -1.976 1.00 61.35 H new ATOM 0 HG21 VAL A 78 -11.313 1.454 -2.237 1.00 24.53 H new ATOM 0 HG22 VAL A 78 -10.865 0.495 -0.805 1.00 24.53 H new ATOM 0 HG23 VAL A 78 -9.612 1.365 -1.722 1.00 24.53 H new ATOM 1211 N ALA A 79 -9.202 -3.821 -2.390 1.00 73.21 N ATOM 1212 CA ALA A 79 -9.124 -5.117 -3.113 1.00 1.14 C ATOM 1213 C ALA A 79 -10.488 -5.531 -3.710 1.00 64.42 C ATOM 1214 O ALA A 79 -10.554 -6.125 -4.788 1.00 33.30 O ATOM 1215 CB ALA A 79 -8.621 -6.206 -2.157 1.00 14.05 C ATOM 0 H ALA A 79 -9.380 -3.923 -1.391 1.00 73.21 H new ATOM 0 HA ALA A 79 -8.428 -4.996 -3.943 1.00 1.14 H new ATOM 0 HB1 ALA A 79 -8.564 -7.157 -2.687 1.00 14.05 H new ATOM 0 HB2 ALA A 79 -7.632 -5.937 -1.787 1.00 14.05 H new ATOM 0 HB3 ALA A 79 -9.310 -6.299 -1.317 1.00 14.05 H new ATOM 1221 N GLY A 80 -11.567 -5.236 -2.968 1.00 11.22 N ATOM 1222 CA GLY A 80 -12.939 -5.610 -3.358 1.00 74.21 C ATOM 1223 C GLY A 80 -13.723 -6.172 -2.171 1.00 41.54 C ATOM 1224 O GLY A 80 -14.780 -5.648 -1.799 1.00 33.12 O ATOM 0 H GLY A 80 -11.515 -4.733 -2.082 1.00 11.22 H new ATOM 0 HA2 GLY A 80 -13.456 -4.737 -3.757 1.00 74.21 H new ATOM 0 HA3 GLY A 80 -12.903 -6.352 -4.156 1.00 74.21 H new ATOM 1228 N ASP A 81 -13.184 -7.254 -1.578 1.00 54.12 N ATOM 1229 CA ASP A 81 -13.722 -7.876 -0.346 1.00 42.15 C ATOM 1230 C ASP A 81 -13.443 -6.960 0.873 1.00 72.12 C ATOM 1231 O ASP A 81 -14.364 -6.578 1.608 1.00 25.30 O ATOM 1232 CB ASP A 81 -13.074 -9.275 -0.167 1.00 15.43 C ATOM 1233 CG ASP A 81 -13.491 -10.023 1.113 1.00 5.43 C ATOM 1234 OD1 ASP A 81 -14.539 -10.706 1.107 1.00 55.33 O ATOM 1235 OD2 ASP A 81 -12.768 -9.944 2.125 1.00 64.14 O ATOM 0 H ASP A 81 -12.356 -7.727 -1.941 1.00 54.12 H new ATOM 0 HA ASP A 81 -14.802 -7.999 -0.425 1.00 42.15 H new ATOM 0 HB2 ASP A 81 -13.329 -9.891 -1.030 1.00 15.43 H new ATOM 0 HB3 ASP A 81 -11.990 -9.160 -0.167 1.00 15.43 H new ATOM 1240 N GLU A 82 -12.156 -6.587 1.063 1.00 41.14 N ATOM 1241 CA GLU A 82 -11.723 -5.679 2.164 1.00 24.34 C ATOM 1242 C GLU A 82 -10.819 -4.534 1.665 1.00 51.40 C ATOM 1243 O GLU A 82 -10.408 -4.489 0.497 1.00 54.42 O ATOM 1244 CB GLU A 82 -11.005 -6.478 3.290 1.00 44.20 C ATOM 1245 CG GLU A 82 -11.939 -7.375 4.113 1.00 62.33 C ATOM 1246 CD GLU A 82 -11.206 -8.148 5.209 1.00 43.45 C ATOM 1247 OE1 GLU A 82 -10.415 -9.043 4.872 1.00 21.34 O ATOM 1248 OE2 GLU A 82 -11.399 -7.861 6.406 1.00 15.43 O ATOM 0 H GLU A 82 -11.391 -6.901 0.466 1.00 41.14 H new ATOM 0 HA GLU A 82 -12.628 -5.225 2.568 1.00 24.34 H new ATOM 0 HB2 GLU A 82 -10.226 -7.096 2.843 1.00 44.20 H new ATOM 0 HB3 GLU A 82 -10.509 -5.776 3.960 1.00 44.20 H new ATOM 0 HG2 GLU A 82 -12.718 -6.762 4.566 1.00 62.33 H new ATOM 0 HG3 GLU A 82 -12.436 -8.081 3.448 1.00 62.33 H new ATOM 1255 N CYS A 83 -10.512 -3.608 2.598 1.00 23.12 N ATOM 1256 CA CYS A 83 -9.681 -2.419 2.339 1.00 53.42 C ATOM 1257 C CYS A 83 -8.647 -2.209 3.470 1.00 71.43 C ATOM 1258 O CYS A 83 -9.001 -2.215 4.653 1.00 33.51 O ATOM 1259 CB CYS A 83 -10.578 -1.167 2.185 1.00 20.23 C ATOM 1260 SG CYS A 83 -11.806 -1.315 0.868 1.00 51.25 S ATOM 0 H CYS A 83 -10.839 -3.668 3.562 1.00 23.12 H new ATOM 0 HA CYS A 83 -9.134 -2.578 1.409 1.00 53.42 H new ATOM 0 HB2 CYS A 83 -11.090 -0.979 3.129 1.00 20.23 H new ATOM 0 HB3 CYS A 83 -9.947 -0.300 1.987 1.00 20.23 H new ATOM 0 HG CYS A 83 -12.514 -0.226 0.810 1.00 51.25 H new ATOM 1266 N ALA A 84 -7.372 -2.025 3.086 1.00 1.24 N ATOM 1267 CA ALA A 84 -6.256 -1.770 4.021 1.00 60.53 C ATOM 1268 C ALA A 84 -6.021 -0.262 4.184 1.00 12.01 C ATOM 1269 O ALA A 84 -6.327 0.521 3.278 1.00 61.34 O ATOM 1270 CB ALA A 84 -4.984 -2.443 3.509 1.00 10.22 C ATOM 0 H ALA A 84 -7.082 -2.049 2.109 1.00 1.24 H new ATOM 0 HA ALA A 84 -6.517 -2.187 4.994 1.00 60.53 H new ATOM 0 HB1 ALA A 84 -4.166 -2.251 4.203 1.00 10.22 H new ATOM 0 HB2 ALA A 84 -5.148 -3.518 3.430 1.00 10.22 H new ATOM 0 HB3 ALA A 84 -4.729 -2.041 2.528 1.00 10.22 H new ATOM 1276 N TYR A 85 -5.470 0.149 5.338 1.00 74.41 N ATOM 1277 CA TYR A 85 -5.285 1.579 5.660 1.00 4.13 C ATOM 1278 C TYR A 85 -3.839 1.879 6.100 1.00 70.00 C ATOM 1279 O TYR A 85 -3.214 1.110 6.831 1.00 14.00 O ATOM 1280 CB TYR A 85 -6.271 2.026 6.770 1.00 43.40 C ATOM 1281 CG TYR A 85 -7.742 1.661 6.500 1.00 10.10 C ATOM 1282 CD1 TYR A 85 -8.499 2.339 5.535 1.00 1.13 C ATOM 1283 CD2 TYR A 85 -8.361 0.618 7.193 1.00 3.31 C ATOM 1284 CE1 TYR A 85 -9.816 1.996 5.291 1.00 61.54 C ATOM 1285 CE2 TYR A 85 -9.674 0.275 6.948 1.00 50.31 C ATOM 1286 CZ TYR A 85 -10.395 0.961 5.998 1.00 34.13 C ATOM 1287 OH TYR A 85 -11.706 0.617 5.762 1.00 63.41 O ATOM 0 H TYR A 85 -5.144 -0.487 6.066 1.00 74.41 H new ATOM 0 HA TYR A 85 -5.491 2.142 4.750 1.00 4.13 H new ATOM 0 HB2 TYR A 85 -5.965 1.575 7.714 1.00 43.40 H new ATOM 0 HB3 TYR A 85 -6.194 3.106 6.893 1.00 43.40 H new ATOM 0 HD1 TYR A 85 -8.046 3.142 4.973 1.00 1.13 H new ATOM 0 HD2 TYR A 85 -7.800 0.069 7.935 1.00 3.31 H new ATOM 0 HE1 TYR A 85 -10.389 2.535 4.551 1.00 61.54 H new ATOM 0 HE2 TYR A 85 -10.135 -0.530 7.501 1.00 50.31 H new ATOM 0 HH TYR A 85 -11.957 -0.132 6.342 1.00 63.41 H new ATOM 1297 N PHE A 86 -3.327 3.008 5.618 1.00 34.52 N ATOM 1298 CA PHE A 86 -2.057 3.612 6.054 1.00 25.44 C ATOM 1299 C PHE A 86 -2.361 5.027 6.567 1.00 52.35 C ATOM 1300 O PHE A 86 -3.324 5.652 6.121 1.00 13.45 O ATOM 1301 CB PHE A 86 -1.049 3.659 4.876 1.00 55.15 C ATOM 1302 CG PHE A 86 -0.733 2.280 4.298 1.00 14.15 C ATOM 1303 CD1 PHE A 86 -1.524 1.724 3.294 1.00 52.42 C ATOM 1304 CD2 PHE A 86 0.348 1.535 4.769 1.00 41.11 C ATOM 1305 CE1 PHE A 86 -1.251 0.471 2.792 1.00 42.04 C ATOM 1306 CE2 PHE A 86 0.622 0.283 4.259 1.00 25.34 C ATOM 1307 CZ PHE A 86 -0.174 -0.245 3.267 1.00 63.43 C ATOM 0 H PHE A 86 -3.794 3.550 4.891 1.00 34.52 H new ATOM 0 HA PHE A 86 -1.605 3.016 6.847 1.00 25.44 H new ATOM 0 HB2 PHE A 86 -1.452 4.293 4.086 1.00 55.15 H new ATOM 0 HB3 PHE A 86 -0.124 4.124 5.216 1.00 55.15 H new ATOM 0 HD1 PHE A 86 -2.362 2.283 2.905 1.00 52.42 H new ATOM 0 HD2 PHE A 86 0.979 1.944 5.544 1.00 41.11 H new ATOM 0 HE1 PHE A 86 -1.882 0.049 2.024 1.00 42.04 H new ATOM 0 HE2 PHE A 86 1.460 -0.283 4.637 1.00 25.34 H new ATOM 0 HZ PHE A 86 0.046 -1.221 2.861 1.00 63.43 H new ATOM 1317 N THR A 87 -1.565 5.523 7.515 1.00 12.42 N ATOM 1318 CA THR A 87 -1.769 6.860 8.116 1.00 20.52 C ATOM 1319 C THR A 87 -0.434 7.616 8.145 1.00 52.33 C ATOM 1320 O THR A 87 0.382 7.393 9.027 1.00 44.45 O ATOM 1321 CB THR A 87 -2.369 6.722 9.567 1.00 4.44 C ATOM 1322 OG1 THR A 87 -3.609 5.982 9.519 1.00 40.41 O ATOM 1323 CG2 THR A 87 -2.619 8.086 10.244 1.00 31.02 C ATOM 0 H THR A 87 -0.762 5.020 7.893 1.00 12.42 H new ATOM 0 HA THR A 87 -2.479 7.424 7.512 1.00 20.52 H new ATOM 0 HB THR A 87 -1.628 6.190 10.164 1.00 4.44 H new ATOM 0 HG1 THR A 87 -3.975 5.899 10.424 1.00 40.41 H new ATOM 0 HG21 THR A 87 -3.032 7.927 11.240 1.00 31.02 H new ATOM 0 HG22 THR A 87 -1.678 8.630 10.324 1.00 31.02 H new ATOM 0 HG23 THR A 87 -3.324 8.665 9.647 1.00 31.02 H new ATOM 1331 N VAL A 88 -0.216 8.519 7.175 1.00 23.30 N ATOM 1332 CA VAL A 88 1.084 9.211 7.000 1.00 11.42 C ATOM 1333 C VAL A 88 0.969 10.693 7.432 1.00 34.55 C ATOM 1334 O VAL A 88 0.430 11.530 6.701 1.00 0.15 O ATOM 1335 CB VAL A 88 1.599 9.107 5.505 1.00 14.24 C ATOM 1336 CG1 VAL A 88 3.040 9.663 5.357 1.00 32.33 C ATOM 1337 CG2 VAL A 88 1.513 7.648 4.979 1.00 42.50 C ATOM 0 H VAL A 88 -0.924 8.792 6.493 1.00 23.30 H new ATOM 0 HA VAL A 88 1.815 8.714 7.638 1.00 11.42 H new ATOM 0 HB VAL A 88 0.941 9.725 4.894 1.00 14.24 H new ATOM 0 HG11 VAL A 88 3.359 9.575 4.318 1.00 32.33 H new ATOM 0 HG12 VAL A 88 3.058 10.711 5.654 1.00 32.33 H new ATOM 0 HG13 VAL A 88 3.717 9.094 5.994 1.00 32.33 H new ATOM 0 HG21 VAL A 88 1.873 7.610 3.951 1.00 42.50 H new ATOM 0 HG22 VAL A 88 2.128 6.999 5.603 1.00 42.50 H new ATOM 0 HG23 VAL A 88 0.478 7.309 5.013 1.00 42.50 H new ATOM 1347 N THR A 89 1.458 11.000 8.644 1.00 74.51 N ATOM 1348 CA THR A 89 1.530 12.387 9.155 1.00 2.21 C ATOM 1349 C THR A 89 2.795 13.076 8.603 1.00 72.11 C ATOM 1350 O THR A 89 3.906 12.709 8.979 1.00 3.01 O ATOM 1351 CB THR A 89 1.550 12.429 10.726 1.00 75.41 C ATOM 1352 OG1 THR A 89 0.411 11.726 11.251 1.00 41.11 O ATOM 1353 CG2 THR A 89 1.549 13.873 11.282 1.00 42.33 C ATOM 0 H THR A 89 1.814 10.302 9.297 1.00 74.51 H new ATOM 0 HA THR A 89 0.638 12.915 8.818 1.00 2.21 H new ATOM 0 HB THR A 89 2.476 11.949 11.042 1.00 75.41 H new ATOM 0 HG1 THR A 89 0.431 11.755 12.230 1.00 41.11 H new ATOM 0 HG21 THR A 89 1.563 13.843 12.372 1.00 42.33 H new ATOM 0 HG22 THR A 89 2.431 14.402 10.922 1.00 42.33 H new ATOM 0 HG23 THR A 89 0.652 14.392 10.945 1.00 42.33 H new ATOM 1361 N ILE A 90 2.623 14.051 7.687 1.00 64.33 N ATOM 1362 CA ILE A 90 3.753 14.802 7.081 1.00 71.34 C ATOM 1363 C ILE A 90 3.770 16.259 7.577 1.00 11.43 C ATOM 1364 O ILE A 90 3.885 16.522 8.781 1.00 71.11 O ATOM 1365 CB ILE A 90 3.692 14.756 5.507 1.00 12.22 C ATOM 1366 CG1 ILE A 90 3.751 13.272 5.013 1.00 25.22 C ATOM 1367 CG2 ILE A 90 4.822 15.601 4.863 1.00 52.22 C ATOM 1368 CD1 ILE A 90 3.703 13.087 3.506 1.00 42.11 C ATOM 0 H ILE A 90 1.707 14.342 7.346 1.00 64.33 H new ATOM 0 HA ILE A 90 4.678 14.319 7.396 1.00 71.34 H new ATOM 0 HB ILE A 90 2.746 15.196 5.192 1.00 12.22 H new ATOM 0 HG12 ILE A 90 4.667 12.817 5.389 1.00 25.22 H new ATOM 0 HG13 ILE A 90 2.919 12.725 5.456 1.00 25.22 H new ATOM 0 HG21 ILE A 90 4.746 15.544 3.777 1.00 52.22 H new ATOM 0 HG22 ILE A 90 4.725 16.640 5.179 1.00 52.22 H new ATOM 0 HG23 ILE A 90 5.791 15.214 5.179 1.00 52.22 H new ATOM 0 HD11 ILE A 90 3.750 12.024 3.268 1.00 42.11 H new ATOM 0 HD12 ILE A 90 2.774 13.505 3.117 1.00 42.11 H new ATOM 0 HD13 ILE A 90 4.550 13.599 3.049 1.00 42.11 H new