USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 683 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 HIS : no HE2:sc= -0.903 K(o=-0.91,f=-2.8!) USER MOD Set 1.2: A 82 GLN : amide:sc=-0.00372 X(o=-0.91,f=-1) USER MOD Single : A 7 LYS NZ :NH3+ -134:sc= 1.23 (180deg=0.249) USER MOD Single : A 9 LYS NZ :NH3+ -168:sc= 0.154 (180deg=-0.0582) USER MOD Single : A 13 TYR OH : rot 130:sc= -0.152 USER MOD Single : A 15 MET CE :methyl -120:sc= -0.358 (180deg=-2.28!) USER MOD Single : A 22 SER OG : rot 180:sc= 0.185 USER MOD Single : A 24 LYS NZ :NH3+ -145:sc= 0.935 (180deg=-0.0979) USER MOD Single : A 31 GLN : amide:sc= 0.0483 X(o=0.048,f=0) USER MOD Single : A 32 THR OG1 : rot 167:sc= -1.32! USER MOD Single : A 41 ASN : amide:sc= -0.537 X(o=-0.54,f=-0.043) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 172:sc= -1.22 (180deg=-1.29) USER MOD Single : A 44 ASN : amide:sc= -0.77 K(o=-0.77,f=-9.8!) USER MOD Single : A 47 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00548) USER MOD Single : A 49 MET CE :methyl -155:sc= -1.21 (180deg=-2.19) USER MOD Single : A 51 TYR OH : rot 99:sc= -0.174 USER MOD Single : A 56 MET CE :methyl -115:sc= -3.52! (180deg=-4.61!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.00505 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 68 LYS NZ :NH3+ -136:sc= -1.15 (180deg=-3.44!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN :FLIP amide:sc=-0.00634 F(o=-1.1!,f=-0.0063) USER MOD Single : A 77 SER OG : rot 160:sc= -0.438 USER MOD Single : A 79 THR OG1 : rot 77:sc= 1.03 USER MOD Single : A 84 LYS NZ :NH3+ 136:sc= -0.758 (180deg=-2.95!) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 -1.890 12.157 -3.462 1.00 61.04 N ATOM 40 CA GLU A 4 -2.031 11.599 -4.833 1.00 10.34 C ATOM 41 C GLU A 4 -0.716 11.016 -5.373 1.00 22.11 C ATOM 42 O GLU A 4 -0.702 9.944 -5.997 1.00 54.35 O ATOM 43 CB GLU A 4 -2.523 12.704 -5.775 1.00 33.15 C ATOM 44 CG GLU A 4 -3.935 13.202 -5.445 1.00 34.54 C ATOM 45 CD GLU A 4 -5.021 12.138 -5.680 1.00 64.32 C ATOM 46 OE1 GLU A 4 -5.293 11.803 -6.853 1.00 13.11 O ATOM 47 OE2 GLU A 4 -5.610 11.645 -4.700 1.00 13.13 O ATOM 0 HA GLU A 4 -2.750 10.781 -4.783 1.00 10.34 H new ATOM 0 HB2 GLU A 4 -1.830 13.544 -5.731 1.00 33.15 H new ATOM 0 HB3 GLU A 4 -2.507 12.332 -6.799 1.00 33.15 H new ATOM 0 HG2 GLU A 4 -3.967 13.521 -4.403 1.00 34.54 H new ATOM 0 HG3 GLU A 4 -4.156 14.079 -6.054 1.00 34.54 H new ATOM 54 N GLU A 5 0.366 11.748 -5.092 1.00 53.11 N ATOM 55 CA GLU A 5 1.727 11.389 -5.482 1.00 21.11 C ATOM 56 C GLU A 5 2.114 10.021 -4.912 1.00 24.50 C ATOM 57 O GLU A 5 2.373 9.085 -5.660 1.00 55.50 O ATOM 58 CB GLU A 5 2.693 12.490 -4.976 1.00 34.44 C ATOM 59 CG GLU A 5 4.136 12.392 -5.492 1.00 31.32 C ATOM 60 CD GLU A 5 4.230 12.393 -7.025 1.00 53.42 C ATOM 61 OE1 GLU A 5 3.676 13.317 -7.657 1.00 41.22 O ATOM 62 OE2 GLU A 5 4.863 11.480 -7.602 1.00 14.20 O ATOM 0 H GLU A 5 0.316 12.626 -4.575 1.00 53.11 H new ATOM 0 HA GLU A 5 1.790 11.318 -6.568 1.00 21.11 H new ATOM 0 HB2 GLU A 5 2.289 13.462 -5.260 1.00 34.44 H new ATOM 0 HB3 GLU A 5 2.712 12.459 -3.887 1.00 34.44 H new ATOM 0 HG2 GLU A 5 4.714 13.228 -5.098 1.00 31.32 H new ATOM 0 HG3 GLU A 5 4.592 11.480 -5.107 1.00 31.32 H new ATOM 69 N VAL A 6 2.020 9.889 -3.582 1.00 71.11 N ATOM 70 CA VAL A 6 2.598 8.737 -2.866 1.00 64.31 C ATOM 71 C VAL A 6 1.720 7.504 -3.025 1.00 64.45 C ATOM 72 O VAL A 6 2.224 6.388 -3.016 1.00 33.12 O ATOM 73 CB VAL A 6 2.824 9.031 -1.340 1.00 42.35 C ATOM 74 CG1 VAL A 6 3.807 10.198 -1.131 1.00 2.13 C ATOM 75 CG2 VAL A 6 1.491 9.300 -0.597 1.00 11.13 C ATOM 0 H VAL A 6 1.550 10.563 -2.978 1.00 71.11 H new ATOM 0 HA VAL A 6 3.573 8.550 -3.317 1.00 64.31 H new ATOM 0 HB VAL A 6 3.266 8.132 -0.909 1.00 42.35 H new ATOM 0 HG11 VAL A 6 3.940 10.375 -0.064 1.00 2.13 H new ATOM 0 HG12 VAL A 6 4.768 9.949 -1.581 1.00 2.13 H new ATOM 0 HG13 VAL A 6 3.409 11.098 -1.601 1.00 2.13 H new ATOM 0 HG21 VAL A 6 1.695 9.499 0.455 1.00 11.13 H new ATOM 0 HG22 VAL A 6 0.995 10.164 -1.040 1.00 11.13 H new ATOM 0 HG23 VAL A 6 0.844 8.427 -0.683 1.00 11.13 H new ATOM 85 N LYS A 7 0.410 7.743 -3.188 1.00 43.14 N ATOM 86 CA LYS A 7 -0.598 6.688 -3.324 1.00 12.24 C ATOM 87 C LYS A 7 -0.354 5.841 -4.573 1.00 1.12 C ATOM 88 O LYS A 7 -0.275 4.612 -4.488 1.00 72.31 O ATOM 89 CB LYS A 7 -2.005 7.329 -3.341 1.00 12.22 C ATOM 90 CG LYS A 7 -2.496 7.816 -1.959 1.00 63.01 C ATOM 91 CD LYS A 7 -3.646 8.861 -2.049 1.00 53.44 C ATOM 92 CE LYS A 7 -4.642 8.594 -3.187 1.00 45.14 C ATOM 93 NZ LYS A 7 -5.882 9.403 -3.037 1.00 1.33 N ATOM 0 H LYS A 7 0.020 8.684 -3.229 1.00 43.14 H new ATOM 0 HA LYS A 7 -0.525 6.014 -2.470 1.00 12.24 H new ATOM 0 HB2 LYS A 7 -1.999 8.173 -4.030 1.00 12.22 H new ATOM 0 HB3 LYS A 7 -2.718 6.603 -3.732 1.00 12.22 H new ATOM 0 HG2 LYS A 7 -2.838 6.958 -1.379 1.00 63.01 H new ATOM 0 HG3 LYS A 7 -1.658 8.254 -1.417 1.00 63.01 H new ATOM 0 HD2 LYS A 7 -4.186 8.875 -1.102 1.00 53.44 H new ATOM 0 HD3 LYS A 7 -3.213 9.852 -2.183 1.00 53.44 H new ATOM 0 HE2 LYS A 7 -4.172 8.824 -4.143 1.00 45.14 H new ATOM 0 HE3 LYS A 7 -4.899 7.535 -3.204 1.00 45.14 H new ATOM 0 HZ1 LYS A 7 -6.713 8.798 -3.195 1.00 1.33 H new ATOM 0 HZ2 LYS A 7 -5.922 9.802 -2.078 1.00 1.33 H new ATOM 0 HZ3 LYS A 7 -5.879 10.175 -3.733 1.00 1.33 H new ATOM 107 N GLU A 8 -0.230 6.487 -5.741 1.00 43.22 N ATOM 108 CA GLU A 8 0.062 5.749 -6.977 1.00 31.35 C ATOM 109 C GLU A 8 1.463 5.118 -6.892 1.00 61.22 C ATOM 110 O GLU A 8 1.663 4.004 -7.360 1.00 10.21 O ATOM 111 CB GLU A 8 -0.082 6.623 -8.244 1.00 24.12 C ATOM 112 CG GLU A 8 0.891 7.819 -8.359 1.00 13.43 C ATOM 113 CD GLU A 8 1.029 8.334 -9.807 1.00 22.32 C ATOM 114 OE1 GLU A 8 1.745 7.682 -10.608 1.00 2.43 O ATOM 115 OE2 GLU A 8 0.402 9.357 -10.170 1.00 25.15 O ATOM 0 H GLU A 8 -0.325 7.496 -5.856 1.00 43.22 H new ATOM 0 HA GLU A 8 -0.682 4.958 -7.070 1.00 31.35 H new ATOM 0 HB2 GLU A 8 0.053 5.986 -9.118 1.00 24.12 H new ATOM 0 HB3 GLU A 8 -1.102 7.005 -8.283 1.00 24.12 H new ATOM 0 HG2 GLU A 8 0.541 8.630 -7.721 1.00 13.43 H new ATOM 0 HG3 GLU A 8 1.872 7.522 -7.988 1.00 13.43 H new ATOM 122 N LYS A 9 2.400 5.826 -6.230 1.00 21.41 N ATOM 123 CA LYS A 9 3.782 5.343 -5.998 1.00 34.41 C ATOM 124 C LYS A 9 3.825 4.037 -5.190 1.00 44.14 C ATOM 125 O LYS A 9 4.780 3.261 -5.335 1.00 42.14 O ATOM 126 CB LYS A 9 4.620 6.427 -5.296 1.00 4.24 C ATOM 127 CG LYS A 9 5.061 7.591 -6.199 1.00 4.32 C ATOM 128 CD LYS A 9 5.640 8.766 -5.383 1.00 10.40 C ATOM 129 CE LYS A 9 6.615 8.335 -4.274 1.00 72.04 C ATOM 130 NZ LYS A 9 7.185 9.499 -3.549 1.00 63.23 N ATOM 0 H LYS A 9 2.222 6.751 -5.839 1.00 21.41 H new ATOM 0 HA LYS A 9 4.209 5.129 -6.978 1.00 34.41 H new ATOM 0 HB2 LYS A 9 4.042 6.830 -4.464 1.00 4.24 H new ATOM 0 HB3 LYS A 9 5.508 5.960 -4.870 1.00 4.24 H new ATOM 0 HG2 LYS A 9 5.810 7.237 -6.907 1.00 4.32 H new ATOM 0 HG3 LYS A 9 4.209 7.940 -6.783 1.00 4.32 H new ATOM 0 HD2 LYS A 9 6.154 9.447 -6.061 1.00 10.40 H new ATOM 0 HD3 LYS A 9 4.818 9.323 -4.934 1.00 10.40 H new ATOM 0 HE2 LYS A 9 6.096 7.687 -3.568 1.00 72.04 H new ATOM 0 HE3 LYS A 9 7.424 7.749 -4.710 1.00 72.04 H new ATOM 0 HZ1 LYS A 9 7.979 9.184 -2.956 1.00 63.23 H new ATOM 0 HZ2 LYS A 9 7.523 10.204 -4.235 1.00 63.23 H new ATOM 0 HZ3 LYS A 9 6.452 9.926 -2.947 1.00 63.23 H new ATOM 144 N ILE A 10 2.813 3.822 -4.325 1.00 3.45 N ATOM 145 CA ILE A 10 2.637 2.541 -3.611 1.00 3.23 C ATOM 146 C ILE A 10 2.527 1.412 -4.646 1.00 40.13 C ATOM 147 O ILE A 10 3.315 0.474 -4.627 1.00 22.22 O ATOM 148 CB ILE A 10 1.360 2.543 -2.690 1.00 32.12 C ATOM 149 CG1 ILE A 10 1.379 3.721 -1.668 1.00 11.03 C ATOM 150 CG2 ILE A 10 1.171 1.204 -1.953 1.00 73.43 C ATOM 151 CD1 ILE A 10 2.614 3.795 -0.779 1.00 54.03 C ATOM 0 H ILE A 10 2.104 4.521 -4.104 1.00 3.45 H new ATOM 0 HA ILE A 10 3.501 2.390 -2.963 1.00 3.23 H new ATOM 0 HB ILE A 10 0.509 2.683 -3.357 1.00 32.12 H new ATOM 0 HG12 ILE A 10 1.291 4.658 -2.218 1.00 11.03 H new ATOM 0 HG13 ILE A 10 0.498 3.641 -1.031 1.00 11.03 H new ATOM 0 HG21 ILE A 10 0.278 1.254 -1.331 1.00 73.43 H new ATOM 0 HG22 ILE A 10 1.061 0.400 -2.681 1.00 73.43 H new ATOM 0 HG23 ILE A 10 2.040 1.008 -1.325 1.00 73.43 H new ATOM 0 HD11 ILE A 10 2.527 4.648 -0.106 1.00 54.03 H new ATOM 0 HD12 ILE A 10 2.697 2.879 -0.195 1.00 54.03 H new ATOM 0 HD13 ILE A 10 3.503 3.911 -1.400 1.00 54.03 H new ATOM 163 N ARG A 11 1.582 1.595 -5.591 1.00 4.31 N ATOM 164 CA ARG A 11 1.303 0.627 -6.679 1.00 33.34 C ATOM 165 C ARG A 11 2.562 0.321 -7.503 1.00 55.04 C ATOM 166 O ARG A 11 2.835 -0.839 -7.797 1.00 72.05 O ATOM 167 CB ARG A 11 0.210 1.173 -7.625 1.00 72.12 C ATOM 168 CG ARG A 11 -1.136 1.507 -6.963 1.00 34.31 C ATOM 169 CD ARG A 11 -2.163 1.978 -8.006 1.00 35.41 C ATOM 170 NE ARG A 11 -1.644 3.097 -8.837 1.00 74.21 N ATOM 171 CZ ARG A 11 -2.315 3.693 -9.835 1.00 54.31 C ATOM 172 NH1 ARG A 11 -3.546 3.306 -10.149 1.00 52.13 N ATOM 173 NH2 ARG A 11 -1.735 4.666 -10.535 1.00 51.52 N ATOM 0 H ARG A 11 0.986 2.422 -5.623 1.00 4.31 H new ATOM 0 HA ARG A 11 0.960 -0.293 -6.206 1.00 33.34 H new ATOM 0 HB2 ARG A 11 0.590 2.073 -8.108 1.00 72.12 H new ATOM 0 HB3 ARG A 11 0.035 0.438 -8.411 1.00 72.12 H new ATOM 0 HG2 ARG A 11 -1.517 0.628 -6.443 1.00 34.31 H new ATOM 0 HG3 ARG A 11 -0.993 2.284 -6.212 1.00 34.31 H new ATOM 0 HD2 ARG A 11 -2.432 1.142 -8.652 1.00 35.41 H new ATOM 0 HD3 ARG A 11 -3.074 2.296 -7.499 1.00 35.41 H new ATOM 0 HE ARG A 11 -0.705 3.438 -8.632 1.00 74.21 H new ATOM 0 HH11 ARG A 11 -3.991 2.549 -9.630 1.00 52.13 H new ATOM 0 HH12 ARG A 11 -4.047 3.766 -10.909 1.00 52.13 H new ATOM 0 HH21 ARG A 11 -0.783 4.957 -10.312 1.00 51.52 H new ATOM 0 HH22 ARG A 11 -2.243 5.121 -11.294 1.00 51.52 H new ATOM 187 N ARG A 12 3.308 1.387 -7.857 1.00 62.23 N ATOM 188 CA ARG A 12 4.548 1.284 -8.668 1.00 34.21 C ATOM 189 C ARG A 12 5.539 0.337 -7.989 1.00 54.12 C ATOM 190 O ARG A 12 5.970 -0.656 -8.579 1.00 11.53 O ATOM 191 CB ARG A 12 5.195 2.692 -8.881 1.00 25.42 C ATOM 192 CG ARG A 12 4.628 3.519 -10.062 1.00 3.22 C ATOM 193 CD ARG A 12 3.106 3.639 -10.046 1.00 73.30 C ATOM 194 NE ARG A 12 2.584 4.689 -10.943 1.00 15.23 N ATOM 195 CZ ARG A 12 1.756 4.498 -11.971 1.00 34.31 C ATOM 196 NH1 ARG A 12 1.329 3.285 -12.294 1.00 44.42 N ATOM 197 NH2 ARG A 12 1.315 5.551 -12.637 1.00 34.32 N ATOM 0 H ARG A 12 3.072 2.343 -7.592 1.00 62.23 H new ATOM 0 HA ARG A 12 4.288 0.882 -9.647 1.00 34.21 H new ATOM 0 HB2 ARG A 12 5.073 3.270 -7.965 1.00 25.42 H new ATOM 0 HB3 ARG A 12 6.266 2.560 -9.035 1.00 25.42 H new ATOM 0 HG2 ARG A 12 5.064 4.518 -10.038 1.00 3.22 H new ATOM 0 HG3 ARG A 12 4.938 3.058 -11.000 1.00 3.22 H new ATOM 0 HD2 ARG A 12 2.672 2.681 -10.331 1.00 73.30 H new ATOM 0 HD3 ARG A 12 2.777 3.847 -9.028 1.00 73.30 H new ATOM 0 HE ARG A 12 2.884 5.647 -10.760 1.00 15.23 H new ATOM 0 HH11 ARG A 12 1.634 2.476 -11.752 1.00 44.42 H new ATOM 0 HH12 ARG A 12 0.696 3.161 -13.084 1.00 44.42 H new ATOM 0 HH21 ARG A 12 1.609 6.488 -12.362 1.00 34.32 H new ATOM 0 HH22 ARG A 12 0.681 5.426 -13.426 1.00 34.32 H new ATOM 211 N TYR A 13 5.818 0.646 -6.720 1.00 33.42 N ATOM 212 CA TYR A 13 6.732 -0.126 -5.857 1.00 11.44 C ATOM 213 C TYR A 13 6.311 -1.610 -5.761 1.00 71.01 C ATOM 214 O TYR A 13 7.166 -2.511 -5.813 1.00 43.14 O ATOM 215 CB TYR A 13 6.777 0.534 -4.458 1.00 23.10 C ATOM 216 CG TYR A 13 7.633 -0.216 -3.422 1.00 14.30 C ATOM 217 CD1 TYR A 13 9.016 -0.355 -3.594 1.00 1.34 C ATOM 218 CD2 TYR A 13 7.064 -0.765 -2.273 1.00 53.13 C ATOM 219 CE1 TYR A 13 9.787 -1.009 -2.657 1.00 10.34 C ATOM 220 CE2 TYR A 13 7.833 -1.415 -1.342 1.00 62.24 C ATOM 221 CZ TYR A 13 9.190 -1.537 -1.532 1.00 12.21 C ATOM 222 OH TYR A 13 9.955 -2.192 -0.591 1.00 11.53 O ATOM 0 H TYR A 13 5.410 1.454 -6.250 1.00 33.42 H new ATOM 0 HA TYR A 13 7.729 -0.114 -6.297 1.00 11.44 H new ATOM 0 HB2 TYR A 13 7.162 1.548 -4.562 1.00 23.10 H new ATOM 0 HB3 TYR A 13 5.759 0.617 -4.077 1.00 23.10 H new ATOM 0 HD1 TYR A 13 9.486 0.057 -4.475 1.00 1.34 H new ATOM 0 HD2 TYR A 13 5.999 -0.677 -2.114 1.00 53.13 H new ATOM 0 HE1 TYR A 13 10.853 -1.107 -2.803 1.00 10.34 H new ATOM 0 HE2 TYR A 13 7.373 -1.832 -0.458 1.00 62.24 H new ATOM 0 HH TYR A 13 9.754 -1.836 0.300 1.00 11.53 H new ATOM 232 N ILE A 14 4.989 -1.831 -5.634 1.00 4.31 N ATOM 233 CA ILE A 14 4.400 -3.173 -5.539 1.00 30.23 C ATOM 234 C ILE A 14 4.717 -3.990 -6.807 1.00 55.51 C ATOM 235 O ILE A 14 5.257 -5.087 -6.719 1.00 35.43 O ATOM 236 CB ILE A 14 2.850 -3.091 -5.261 1.00 41.31 C ATOM 237 CG1 ILE A 14 2.567 -2.405 -3.887 1.00 3.55 C ATOM 238 CG2 ILE A 14 2.200 -4.486 -5.296 1.00 1.03 C ATOM 239 CD1 ILE A 14 1.099 -2.166 -3.582 1.00 62.25 C ATOM 0 H ILE A 14 4.301 -1.079 -5.595 1.00 4.31 H new ATOM 0 HA ILE A 14 4.848 -3.692 -4.692 1.00 30.23 H new ATOM 0 HB ILE A 14 2.408 -2.487 -6.054 1.00 41.31 H new ATOM 0 HG12 ILE A 14 2.992 -3.022 -3.095 1.00 3.55 H new ATOM 0 HG13 ILE A 14 3.089 -1.448 -3.861 1.00 3.55 H new ATOM 0 HG21 ILE A 14 1.132 -4.395 -5.101 1.00 1.03 H new ATOM 0 HG22 ILE A 14 2.352 -4.934 -6.278 1.00 1.03 H new ATOM 0 HG23 ILE A 14 2.655 -5.119 -4.534 1.00 1.03 H new ATOM 0 HD11 ILE A 14 1.003 -1.686 -2.608 1.00 62.25 H new ATOM 0 HD12 ILE A 14 0.669 -1.521 -4.348 1.00 62.25 H new ATOM 0 HD13 ILE A 14 0.570 -3.119 -3.571 1.00 62.25 H new ATOM 251 N MET A 15 4.453 -3.406 -7.980 1.00 32.24 N ATOM 252 CA MET A 15 4.654 -4.094 -9.277 1.00 74.55 C ATOM 253 C MET A 15 6.149 -4.395 -9.530 1.00 71.22 C ATOM 254 O MET A 15 6.482 -5.458 -10.057 1.00 12.10 O ATOM 255 CB MET A 15 4.070 -3.250 -10.436 1.00 3.50 C ATOM 256 CG MET A 15 2.594 -2.890 -10.263 1.00 0.13 C ATOM 257 SD MET A 15 1.513 -4.331 -10.120 1.00 35.20 S ATOM 258 CE MET A 15 1.523 -4.953 -11.796 1.00 41.14 C ATOM 0 H MET A 15 4.098 -2.454 -8.067 1.00 32.24 H new ATOM 0 HA MET A 15 4.124 -5.045 -9.234 1.00 74.55 H new ATOM 0 HB2 MET A 15 4.649 -2.331 -10.530 1.00 3.50 H new ATOM 0 HB3 MET A 15 4.192 -3.800 -11.369 1.00 3.50 H new ATOM 0 HG2 MET A 15 2.481 -2.271 -9.373 1.00 0.13 H new ATOM 0 HG3 MET A 15 2.273 -2.288 -11.113 1.00 0.13 H new ATOM 0 HE1 MET A 15 0.507 -4.952 -12.190 1.00 41.14 H new ATOM 0 HE2 MET A 15 2.154 -4.316 -12.417 1.00 41.14 H new ATOM 0 HE3 MET A 15 1.915 -5.970 -11.804 1.00 41.14 H new ATOM 268 N GLU A 16 7.033 -3.461 -9.110 1.00 4.40 N ATOM 269 CA GLU A 16 8.494 -3.565 -9.348 1.00 52.12 C ATOM 270 C GLU A 16 9.121 -4.688 -8.506 1.00 74.20 C ATOM 271 O GLU A 16 9.683 -5.645 -9.037 1.00 23.13 O ATOM 272 CB GLU A 16 9.212 -2.235 -9.006 1.00 72.22 C ATOM 273 CG GLU A 16 8.809 -1.035 -9.858 1.00 74.42 C ATOM 274 CD GLU A 16 9.540 0.233 -9.412 1.00 73.22 C ATOM 275 OE1 GLU A 16 9.150 0.813 -8.377 1.00 71.43 O ATOM 276 OE2 GLU A 16 10.539 0.624 -10.054 1.00 2.12 O ATOM 0 H GLU A 16 6.759 -2.621 -8.601 1.00 4.40 H new ATOM 0 HA GLU A 16 8.623 -3.790 -10.407 1.00 52.12 H new ATOM 0 HB2 GLU A 16 9.020 -1.997 -7.960 1.00 72.22 H new ATOM 0 HB3 GLU A 16 10.287 -2.386 -9.107 1.00 72.22 H new ATOM 0 HG2 GLU A 16 9.034 -1.238 -10.905 1.00 74.42 H new ATOM 0 HG3 GLU A 16 7.732 -0.881 -9.787 1.00 74.42 H new ATOM 283 N ASP A 17 9.026 -4.535 -7.181 1.00 45.20 N ATOM 284 CA ASP A 17 9.707 -5.417 -6.217 1.00 62.24 C ATOM 285 C ASP A 17 8.838 -6.629 -5.897 1.00 23.11 C ATOM 286 O ASP A 17 9.213 -7.767 -6.195 1.00 10.23 O ATOM 287 CB ASP A 17 10.053 -4.628 -4.925 1.00 31.04 C ATOM 288 CG ASP A 17 10.697 -5.500 -3.835 1.00 61.14 C ATOM 289 OD1 ASP A 17 11.918 -5.761 -3.907 1.00 22.13 O ATOM 290 OD2 ASP A 17 9.982 -5.942 -2.909 1.00 14.12 O ATOM 0 H ASP A 17 8.475 -3.797 -6.743 1.00 45.20 H new ATOM 0 HA ASP A 17 10.635 -5.775 -6.662 1.00 62.24 H new ATOM 0 HB2 ASP A 17 10.731 -3.812 -5.176 1.00 31.04 H new ATOM 0 HB3 ASP A 17 9.144 -4.176 -4.529 1.00 31.04 H new ATOM 295 N LEU A 18 7.654 -6.341 -5.338 1.00 24.51 N ATOM 296 CA LEU A 18 6.761 -7.341 -4.714 1.00 1.10 C ATOM 297 C LEU A 18 6.309 -8.403 -5.742 1.00 54.02 C ATOM 298 O LEU A 18 6.322 -9.602 -5.447 1.00 73.14 O ATOM 299 CB LEU A 18 5.540 -6.633 -4.053 1.00 52.50 C ATOM 300 CG LEU A 18 5.820 -5.759 -2.771 1.00 4.11 C ATOM 301 CD1 LEU A 18 6.773 -4.567 -3.026 1.00 21.43 C ATOM 302 CD2 LEU A 18 4.497 -5.245 -2.177 1.00 4.11 C ATOM 0 H LEU A 18 7.279 -5.393 -5.304 1.00 24.51 H new ATOM 0 HA LEU A 18 7.316 -7.862 -3.934 1.00 1.10 H new ATOM 0 HB2 LEU A 18 5.074 -5.993 -4.803 1.00 52.50 H new ATOM 0 HB3 LEU A 18 4.809 -7.397 -3.788 1.00 52.50 H new ATOM 0 HG LEU A 18 6.324 -6.417 -2.063 1.00 4.11 H new ATOM 0 HD11 LEU A 18 6.918 -4.012 -2.099 1.00 21.43 H new ATOM 0 HD12 LEU A 18 7.734 -4.939 -3.381 1.00 21.43 H new ATOM 0 HD13 LEU A 18 6.339 -3.909 -3.778 1.00 21.43 H new ATOM 0 HD21 LEU A 18 4.705 -4.643 -1.292 1.00 4.11 H new ATOM 0 HD22 LEU A 18 3.978 -4.635 -2.917 1.00 4.11 H new ATOM 0 HD23 LEU A 18 3.869 -6.092 -1.900 1.00 4.11 H new ATOM 314 N ILE A 19 5.931 -7.946 -6.949 1.00 42.13 N ATOM 315 CA ILE A 19 5.589 -8.837 -8.073 1.00 71.52 C ATOM 316 C ILE A 19 6.888 -9.353 -8.717 1.00 34.21 C ATOM 317 O ILE A 19 7.155 -10.560 -8.713 1.00 32.43 O ATOM 318 CB ILE A 19 4.659 -8.135 -9.153 1.00 10.05 C ATOM 319 CG1 ILE A 19 3.178 -7.992 -8.669 1.00 4.55 C ATOM 320 CG2 ILE A 19 4.680 -8.885 -10.503 1.00 63.14 C ATOM 321 CD1 ILE A 19 2.970 -7.213 -7.399 1.00 44.23 C ATOM 0 H ILE A 19 5.854 -6.954 -7.173 1.00 42.13 H new ATOM 0 HA ILE A 19 5.012 -9.673 -7.678 1.00 71.52 H new ATOM 0 HB ILE A 19 5.074 -7.137 -9.290 1.00 10.05 H new ATOM 0 HG12 ILE A 19 2.602 -7.515 -9.462 1.00 4.55 H new ATOM 0 HG13 ILE A 19 2.764 -8.991 -8.531 1.00 4.55 H new ATOM 0 HG21 ILE A 19 4.031 -8.373 -11.214 1.00 63.14 H new ATOM 0 HG22 ILE A 19 5.698 -8.907 -10.891 1.00 63.14 H new ATOM 0 HG23 ILE A 19 4.325 -9.905 -10.358 1.00 63.14 H new ATOM 0 HD11 ILE A 19 1.907 -7.180 -7.162 1.00 44.23 H new ATOM 0 HD12 ILE A 19 3.509 -7.696 -6.584 1.00 44.23 H new ATOM 0 HD13 ILE A 19 3.344 -6.198 -7.530 1.00 44.23 H new ATOM 333 N GLY A 20 7.693 -8.425 -9.257 1.00 70.50 N ATOM 334 CA GLY A 20 8.956 -8.772 -9.935 1.00 42.41 C ATOM 335 C GLY A 20 9.223 -7.903 -11.156 1.00 42.51 C ATOM 336 O GLY A 20 8.399 -7.040 -11.486 1.00 15.11 O ATOM 0 H GLY A 20 7.493 -7.425 -9.238 1.00 70.50 H new ATOM 0 HA2 GLY A 20 9.782 -8.668 -9.232 1.00 42.41 H new ATOM 0 HA3 GLY A 20 8.926 -9.819 -10.238 1.00 42.41 H new ATOM 340 N PRO A 21 10.369 -8.134 -11.876 1.00 4.51 N ATOM 341 CA PRO A 21 10.806 -7.280 -13.012 1.00 71.15 C ATOM 342 C PRO A 21 9.835 -7.329 -14.212 1.00 14.42 C ATOM 343 O PRO A 21 9.852 -6.440 -15.071 1.00 61.14 O ATOM 344 CB PRO A 21 12.199 -7.867 -13.382 1.00 21.04 C ATOM 345 CG PRO A 21 12.153 -9.285 -12.914 1.00 64.41 C ATOM 346 CD PRO A 21 11.326 -9.257 -11.649 1.00 51.15 C ATOM 0 HA PRO A 21 10.836 -6.224 -12.743 1.00 71.15 H new ATOM 0 HB2 PRO A 21 12.379 -7.811 -14.455 1.00 21.04 H new ATOM 0 HB3 PRO A 21 13.003 -7.315 -12.894 1.00 21.04 H new ATOM 0 HG2 PRO A 21 11.702 -9.933 -13.665 1.00 64.41 H new ATOM 0 HG3 PRO A 21 13.155 -9.669 -12.721 1.00 64.41 H new ATOM 0 HD2 PRO A 21 10.805 -10.201 -11.490 1.00 51.15 H new ATOM 0 HD3 PRO A 21 11.946 -9.083 -10.769 1.00 51.15 H new ATOM 354 N SER A 22 9.016 -8.393 -14.276 1.00 1.13 N ATOM 355 CA SER A 22 8.011 -8.548 -15.330 1.00 51.11 C ATOM 356 C SER A 22 6.815 -7.599 -15.081 1.00 53.21 C ATOM 357 O SER A 22 6.677 -6.582 -15.779 1.00 64.22 O ATOM 358 CB SER A 22 7.563 -10.021 -15.422 1.00 61.11 C ATOM 359 OG SER A 22 7.140 -10.516 -14.161 1.00 4.12 O ATOM 0 H SER A 22 9.035 -9.160 -13.604 1.00 1.13 H new ATOM 0 HA SER A 22 8.452 -8.273 -16.288 1.00 51.11 H new ATOM 0 HB2 SER A 22 6.749 -10.110 -16.141 1.00 61.11 H new ATOM 0 HB3 SER A 22 8.386 -10.630 -15.796 1.00 61.11 H new ATOM 0 HG SER A 22 6.861 -11.451 -14.253 1.00 4.12 H new ATOM 365 N ALA A 23 5.991 -7.942 -14.061 1.00 41.13 N ATOM 366 CA ALA A 23 4.768 -7.210 -13.664 1.00 41.45 C ATOM 367 C ALA A 23 3.684 -7.240 -14.756 1.00 50.01 C ATOM 368 O ALA A 23 3.969 -7.059 -15.941 1.00 4.41 O ATOM 369 CB ALA A 23 5.090 -5.772 -13.213 1.00 5.44 C ATOM 0 H ALA A 23 6.166 -8.759 -13.476 1.00 41.13 H new ATOM 0 HA ALA A 23 4.352 -7.736 -12.804 1.00 41.45 H new ATOM 0 HB1 ALA A 23 4.168 -5.265 -12.929 1.00 5.44 H new ATOM 0 HB2 ALA A 23 5.766 -5.801 -12.359 1.00 5.44 H new ATOM 0 HB3 ALA A 23 5.564 -5.231 -14.032 1.00 5.44 H new ATOM 375 N LYS A 24 2.432 -7.498 -14.355 1.00 4.02 N ATOM 376 CA LYS A 24 1.279 -7.476 -15.266 1.00 11.20 C ATOM 377 C LYS A 24 0.404 -6.271 -14.919 1.00 14.02 C ATOM 378 O LYS A 24 -0.361 -6.302 -13.947 1.00 2.04 O ATOM 379 CB LYS A 24 0.481 -8.789 -15.180 1.00 63.13 C ATOM 380 CG LYS A 24 1.321 -10.061 -15.407 1.00 24.10 C ATOM 381 CD LYS A 24 0.486 -11.351 -15.572 1.00 30.13 C ATOM 382 CE LYS A 24 -0.510 -11.604 -14.424 1.00 43.33 C ATOM 383 NZ LYS A 24 -1.828 -10.964 -14.657 1.00 52.33 N ATOM 0 H LYS A 24 2.190 -7.728 -13.391 1.00 4.02 H new ATOM 0 HA LYS A 24 1.628 -7.385 -16.295 1.00 11.20 H new ATOM 0 HB2 LYS A 24 0.010 -8.850 -14.199 1.00 63.13 H new ATOM 0 HB3 LYS A 24 -0.321 -8.761 -15.918 1.00 63.13 H new ATOM 0 HG2 LYS A 24 1.935 -9.923 -16.297 1.00 24.10 H new ATOM 0 HG3 LYS A 24 2.002 -10.188 -14.566 1.00 24.10 H new ATOM 0 HD2 LYS A 24 -0.064 -11.298 -16.511 1.00 30.13 H new ATOM 0 HD3 LYS A 24 1.163 -12.202 -15.647 1.00 30.13 H new ATOM 0 HE2 LYS A 24 -0.649 -12.678 -14.300 1.00 43.33 H new ATOM 0 HE3 LYS A 24 -0.088 -11.227 -13.492 1.00 43.33 H new ATOM 0 HZ1 LYS A 24 -2.220 -10.637 -13.751 1.00 52.33 H new ATOM 0 HZ2 LYS A 24 -1.712 -10.153 -15.297 1.00 52.33 H new ATOM 0 HZ3 LYS A 24 -2.478 -11.653 -15.087 1.00 52.33 H new ATOM 397 N GLU A 25 0.531 -5.201 -15.717 1.00 13.13 N ATOM 398 CA GLU A 25 -0.056 -3.870 -15.411 1.00 54.55 C ATOM 399 C GLU A 25 -1.567 -3.836 -15.697 1.00 61.24 C ATOM 400 O GLU A 25 -2.240 -2.839 -15.399 1.00 65.45 O ATOM 401 CB GLU A 25 0.658 -2.728 -16.198 1.00 63.23 C ATOM 402 CG GLU A 25 2.206 -2.835 -16.241 1.00 13.14 C ATOM 403 CD GLU A 25 2.726 -3.549 -17.512 1.00 24.52 C ATOM 404 OE1 GLU A 25 2.817 -4.795 -17.543 1.00 50.21 O ATOM 405 OE2 GLU A 25 3.000 -2.851 -18.511 1.00 30.33 O ATOM 0 H GLU A 25 1.044 -5.225 -16.598 1.00 13.13 H new ATOM 0 HA GLU A 25 0.098 -3.702 -14.345 1.00 54.55 H new ATOM 0 HB2 GLU A 25 0.280 -2.719 -17.220 1.00 63.23 H new ATOM 0 HB3 GLU A 25 0.386 -1.772 -15.750 1.00 63.23 H new ATOM 0 HG2 GLU A 25 2.636 -1.835 -16.191 1.00 13.14 H new ATOM 0 HG3 GLU A 25 2.552 -3.375 -15.360 1.00 13.14 H new ATOM 412 N ASP A 26 -2.071 -4.938 -16.274 1.00 64.53 N ATOM 413 CA ASP A 26 -3.470 -5.120 -16.685 1.00 10.33 C ATOM 414 C ASP A 26 -4.434 -4.896 -15.516 1.00 53.12 C ATOM 415 O ASP A 26 -5.443 -4.205 -15.646 1.00 24.22 O ATOM 416 CB ASP A 26 -3.671 -6.552 -17.253 1.00 11.14 C ATOM 417 CG ASP A 26 -2.707 -6.920 -18.390 1.00 60.22 C ATOM 418 OD1 ASP A 26 -1.530 -7.252 -18.100 1.00 73.45 O ATOM 419 OD2 ASP A 26 -3.116 -6.890 -19.573 1.00 64.44 O ATOM 0 H ASP A 26 -1.494 -5.755 -16.474 1.00 64.53 H new ATOM 0 HA ASP A 26 -3.690 -4.380 -17.454 1.00 10.33 H new ATOM 0 HB2 ASP A 26 -3.551 -7.272 -16.443 1.00 11.14 H new ATOM 0 HB3 ASP A 26 -4.695 -6.647 -17.615 1.00 11.14 H new ATOM 424 N GLU A 27 -4.101 -5.491 -14.366 1.00 2.14 N ATOM 425 CA GLU A 27 -4.930 -5.403 -13.148 1.00 13.34 C ATOM 426 C GLU A 27 -4.526 -4.218 -12.270 1.00 35.42 C ATOM 427 O GLU A 27 -5.240 -3.886 -11.320 1.00 21.21 O ATOM 428 CB GLU A 27 -4.843 -6.708 -12.325 1.00 45.23 C ATOM 429 CG GLU A 27 -3.414 -7.264 -12.103 1.00 42.31 C ATOM 430 CD GLU A 27 -3.047 -8.404 -13.067 1.00 42.13 C ATOM 431 OE1 GLU A 27 -2.709 -8.136 -14.242 1.00 53.15 O ATOM 432 OE2 GLU A 27 -3.152 -9.581 -12.664 1.00 64.21 O ATOM 0 H GLU A 27 -3.254 -6.046 -14.248 1.00 2.14 H new ATOM 0 HA GLU A 27 -5.958 -5.252 -13.476 1.00 13.34 H new ATOM 0 HB2 GLU A 27 -5.301 -6.534 -11.351 1.00 45.23 H new ATOM 0 HB3 GLU A 27 -5.438 -7.472 -12.825 1.00 45.23 H new ATOM 0 HG2 GLU A 27 -2.694 -6.454 -12.219 1.00 42.31 H new ATOM 0 HG3 GLU A 27 -3.327 -7.623 -11.077 1.00 42.31 H new ATOM 439 N LEU A 28 -3.387 -3.578 -12.588 1.00 63.52 N ATOM 440 CA LEU A 28 -2.867 -2.488 -11.773 1.00 22.52 C ATOM 441 C LEU A 28 -3.811 -1.279 -11.894 1.00 30.35 C ATOM 442 O LEU A 28 -3.943 -0.688 -12.962 1.00 1.21 O ATOM 443 CB LEU A 28 -1.403 -2.158 -12.175 1.00 2.45 C ATOM 444 CG LEU A 28 -0.587 -1.232 -11.193 1.00 44.01 C ATOM 445 CD1 LEU A 28 -0.918 0.279 -11.359 1.00 4.44 C ATOM 446 CD2 LEU A 28 -0.795 -1.685 -9.719 1.00 45.11 C ATOM 0 H LEU A 28 -2.817 -3.803 -13.403 1.00 63.52 H new ATOM 0 HA LEU A 28 -2.834 -2.781 -10.724 1.00 22.52 H new ATOM 0 HB2 LEU A 28 -0.861 -3.097 -12.285 1.00 2.45 H new ATOM 0 HB3 LEU A 28 -1.419 -1.682 -13.156 1.00 2.45 H new ATOM 0 HG LEU A 28 0.464 -1.345 -11.458 1.00 44.01 H new ATOM 0 HD11 LEU A 28 -0.324 0.861 -10.655 1.00 4.44 H new ATOM 0 HD12 LEU A 28 -0.685 0.593 -12.377 1.00 4.44 H new ATOM 0 HD13 LEU A 28 -1.977 0.443 -11.162 1.00 4.44 H new ATOM 0 HD21 LEU A 28 -0.225 -1.035 -9.055 1.00 45.11 H new ATOM 0 HD22 LEU A 28 -1.853 -1.624 -9.466 1.00 45.11 H new ATOM 0 HD23 LEU A 28 -0.453 -2.713 -9.603 1.00 45.11 H new ATOM 458 N ASP A 29 -4.477 -0.976 -10.776 1.00 44.15 N ATOM 459 CA ASP A 29 -5.494 0.070 -10.666 1.00 35.21 C ATOM 460 C ASP A 29 -5.589 0.484 -9.199 1.00 10.22 C ATOM 461 O ASP A 29 -5.028 -0.190 -8.321 1.00 50.11 O ATOM 462 CB ASP A 29 -6.852 -0.484 -11.157 1.00 40.11 C ATOM 463 CG ASP A 29 -7.972 0.560 -11.296 1.00 33.24 C ATOM 464 OD1 ASP A 29 -7.984 1.300 -12.299 1.00 62.41 O ATOM 465 OD2 ASP A 29 -8.845 0.641 -10.409 1.00 51.42 O ATOM 0 H ASP A 29 -4.317 -1.468 -9.897 1.00 44.15 H new ATOM 0 HA ASP A 29 -5.230 0.933 -11.277 1.00 35.21 H new ATOM 0 HB2 ASP A 29 -6.702 -0.964 -12.124 1.00 40.11 H new ATOM 0 HB3 ASP A 29 -7.182 -1.258 -10.465 1.00 40.11 H new ATOM 470 N ASP A 30 -6.292 1.585 -8.937 1.00 52.34 N ATOM 471 CA ASP A 30 -6.435 2.125 -7.582 1.00 13.25 C ATOM 472 C ASP A 30 -7.552 1.409 -6.803 1.00 53.31 C ATOM 473 O ASP A 30 -7.471 1.254 -5.584 1.00 61.03 O ATOM 474 CB ASP A 30 -6.682 3.656 -7.629 1.00 15.41 C ATOM 475 CG ASP A 30 -8.041 4.073 -8.235 1.00 32.00 C ATOM 476 OD1 ASP A 30 -8.356 3.672 -9.379 1.00 41.52 O ATOM 477 OD2 ASP A 30 -8.803 4.818 -7.572 1.00 51.20 O ATOM 0 H ASP A 30 -6.777 2.127 -9.652 1.00 52.34 H new ATOM 0 HA ASP A 30 -5.501 1.944 -7.050 1.00 13.25 H new ATOM 0 HB2 ASP A 30 -6.615 4.052 -6.616 1.00 15.41 H new ATOM 0 HB3 ASP A 30 -5.884 4.121 -8.207 1.00 15.41 H new ATOM 482 N GLN A 31 -8.598 0.996 -7.518 1.00 63.00 N ATOM 483 CA GLN A 31 -9.779 0.339 -6.935 1.00 61.35 C ATOM 484 C GLN A 31 -9.744 -1.193 -7.114 1.00 14.41 C ATOM 485 O GLN A 31 -10.625 -1.886 -6.597 1.00 41.42 O ATOM 486 CB GLN A 31 -11.047 0.961 -7.578 1.00 30.03 C ATOM 487 CG GLN A 31 -11.227 2.460 -7.258 1.00 42.34 C ATOM 488 CD GLN A 31 -12.180 3.202 -8.197 1.00 51.15 C ATOM 489 OE1 GLN A 31 -13.386 3.279 -7.957 1.00 75.54 O ATOM 490 NE2 GLN A 31 -11.640 3.761 -9.272 1.00 1.32 N ATOM 0 H GLN A 31 -8.655 1.107 -8.530 1.00 63.00 H new ATOM 0 HA GLN A 31 -9.788 0.508 -5.858 1.00 61.35 H new ATOM 0 HB2 GLN A 31 -10.997 0.832 -8.659 1.00 30.03 H new ATOM 0 HB3 GLN A 31 -11.925 0.416 -7.232 1.00 30.03 H new ATOM 0 HG2 GLN A 31 -11.595 2.558 -6.237 1.00 42.34 H new ATOM 0 HG3 GLN A 31 -10.252 2.945 -7.294 1.00 42.34 H new ATOM 0 HE21 GLN A 31 -10.637 3.678 -9.441 1.00 1.32 H new ATOM 0 HE22 GLN A 31 -12.227 4.274 -9.930 1.00 1.32 H new ATOM 499 N THR A 32 -8.742 -1.721 -7.855 1.00 32.22 N ATOM 500 CA THR A 32 -8.533 -3.185 -7.965 1.00 24.44 C ATOM 501 C THR A 32 -8.044 -3.746 -6.624 1.00 44.54 C ATOM 502 O THR A 32 -6.992 -3.304 -6.141 1.00 31.43 O ATOM 503 CB THR A 32 -7.498 -3.571 -9.062 1.00 24.11 C ATOM 504 OG1 THR A 32 -8.012 -3.231 -10.351 1.00 64.25 O ATOM 505 CG2 THR A 32 -7.131 -5.079 -9.050 1.00 32.53 C ATOM 0 H THR A 32 -8.071 -1.162 -8.381 1.00 32.22 H new ATOM 0 HA THR A 32 -9.496 -3.612 -8.244 1.00 24.44 H new ATOM 0 HB THR A 32 -6.589 -3.011 -8.843 1.00 24.11 H new ATOM 0 HG1 THR A 32 -7.290 -3.271 -11.012 1.00 64.25 H new ATOM 0 HG21 THR A 32 -6.406 -5.283 -9.838 1.00 32.53 H new ATOM 0 HG22 THR A 32 -6.700 -5.341 -8.084 1.00 32.53 H new ATOM 0 HG23 THR A 32 -8.029 -5.673 -9.220 1.00 32.53 H new ATOM 513 N PRO A 33 -8.791 -4.722 -6.004 1.00 51.44 N ATOM 514 CA PRO A 33 -8.371 -5.349 -4.748 1.00 21.14 C ATOM 515 C PRO A 33 -7.076 -6.160 -4.948 1.00 24.03 C ATOM 516 O PRO A 33 -7.072 -7.252 -5.516 1.00 20.45 O ATOM 517 CB PRO A 33 -9.577 -6.228 -4.345 1.00 0.35 C ATOM 518 CG PRO A 33 -10.363 -6.448 -5.599 1.00 23.40 C ATOM 519 CD PRO A 33 -10.091 -5.261 -6.488 1.00 34.53 C ATOM 0 HA PRO A 33 -8.127 -4.630 -3.966 1.00 21.14 H new ATOM 0 HB2 PRO A 33 -9.245 -7.176 -3.921 1.00 0.35 H new ATOM 0 HB3 PRO A 33 -10.183 -5.734 -3.586 1.00 0.35 H new ATOM 0 HG2 PRO A 33 -10.063 -7.375 -6.087 1.00 23.40 H new ATOM 0 HG3 PRO A 33 -11.427 -6.533 -5.380 1.00 23.40 H new ATOM 0 HD2 PRO A 33 -10.033 -5.555 -7.536 1.00 34.53 H new ATOM 0 HD3 PRO A 33 -10.883 -4.516 -6.409 1.00 34.53 H new ATOM 527 N LEU A 34 -5.979 -5.589 -4.454 1.00 0.52 N ATOM 528 CA LEU A 34 -4.628 -6.098 -4.658 1.00 63.14 C ATOM 529 C LEU A 34 -4.433 -7.460 -3.958 1.00 61.34 C ATOM 530 O LEU A 34 -3.797 -8.355 -4.507 1.00 41.42 O ATOM 531 CB LEU A 34 -3.614 -5.048 -4.147 1.00 61.00 C ATOM 532 CG LEU A 34 -3.758 -3.602 -4.734 1.00 65.24 C ATOM 533 CD1 LEU A 34 -2.803 -2.612 -4.033 1.00 75.13 C ATOM 534 CD2 LEU A 34 -3.538 -3.583 -6.266 1.00 42.14 C ATOM 0 H LEU A 34 -6.008 -4.741 -3.888 1.00 0.52 H new ATOM 0 HA LEU A 34 -4.461 -6.266 -5.722 1.00 63.14 H new ATOM 0 HB2 LEU A 34 -3.701 -4.987 -3.062 1.00 61.00 H new ATOM 0 HB3 LEU A 34 -2.609 -5.408 -4.366 1.00 61.00 H new ATOM 0 HG LEU A 34 -4.781 -3.279 -4.541 1.00 65.24 H new ATOM 0 HD11 LEU A 34 -2.928 -1.619 -4.464 1.00 75.13 H new ATOM 0 HD12 LEU A 34 -3.033 -2.577 -2.968 1.00 75.13 H new ATOM 0 HD13 LEU A 34 -1.773 -2.940 -4.171 1.00 75.13 H new ATOM 0 HD21 LEU A 34 -3.646 -2.564 -6.636 1.00 42.14 H new ATOM 0 HD22 LEU A 34 -2.537 -3.948 -6.494 1.00 42.14 H new ATOM 0 HD23 LEU A 34 -4.276 -4.224 -6.748 1.00 42.14 H new ATOM 546 N LEU A 35 -5.010 -7.610 -2.752 1.00 62.00 N ATOM 547 CA LEU A 35 -4.987 -8.891 -2.004 1.00 31.54 C ATOM 548 C LEU A 35 -5.665 -10.010 -2.796 1.00 21.32 C ATOM 549 O LEU A 35 -5.101 -11.092 -2.988 1.00 24.32 O ATOM 550 CB LEU A 35 -5.739 -8.743 -0.666 1.00 15.02 C ATOM 551 CG LEU A 35 -5.122 -7.781 0.374 1.00 32.14 C ATOM 552 CD1 LEU A 35 -6.109 -7.540 1.518 1.00 1.23 C ATOM 553 CD2 LEU A 35 -3.787 -8.323 0.926 1.00 22.32 C ATOM 0 H LEU A 35 -5.502 -6.859 -2.268 1.00 62.00 H new ATOM 0 HA LEU A 35 -3.940 -9.143 -1.833 1.00 31.54 H new ATOM 0 HB2 LEU A 35 -6.753 -8.407 -0.881 1.00 15.02 H new ATOM 0 HB3 LEU A 35 -5.820 -9.730 -0.210 1.00 15.02 H new ATOM 0 HG LEU A 35 -4.914 -6.835 -0.127 1.00 32.14 H new ATOM 0 HD11 LEU A 35 -5.664 -6.861 2.245 1.00 1.23 H new ATOM 0 HD12 LEU A 35 -7.024 -7.099 1.122 1.00 1.23 H new ATOM 0 HD13 LEU A 35 -6.343 -8.488 2.003 1.00 1.23 H new ATOM 0 HD21 LEU A 35 -3.382 -7.620 1.654 1.00 22.32 H new ATOM 0 HD22 LEU A 35 -3.956 -9.287 1.407 1.00 22.32 H new ATOM 0 HD23 LEU A 35 -3.078 -8.446 0.107 1.00 22.32 H new ATOM 565 N GLU A 36 -6.876 -9.700 -3.271 1.00 21.34 N ATOM 566 CA GLU A 36 -7.775 -10.687 -3.879 1.00 1.31 C ATOM 567 C GLU A 36 -7.247 -11.140 -5.244 1.00 63.23 C ATOM 568 O GLU A 36 -7.536 -12.252 -5.695 1.00 2.23 O ATOM 569 CB GLU A 36 -9.196 -10.098 -4.007 1.00 30.51 C ATOM 570 CG GLU A 36 -9.733 -9.404 -2.732 1.00 72.04 C ATOM 571 CD GLU A 36 -9.810 -10.296 -1.482 1.00 23.13 C ATOM 572 OE1 GLU A 36 -8.820 -10.359 -0.714 1.00 4.12 O ATOM 573 OE2 GLU A 36 -10.875 -10.899 -1.235 1.00 42.53 O ATOM 0 H GLU A 36 -7.261 -8.756 -3.245 1.00 21.34 H new ATOM 0 HA GLU A 36 -7.818 -11.564 -3.233 1.00 1.31 H new ATOM 0 HB2 GLU A 36 -9.202 -9.377 -4.825 1.00 30.51 H new ATOM 0 HB3 GLU A 36 -9.882 -10.899 -4.283 1.00 30.51 H new ATOM 0 HG2 GLU A 36 -9.096 -8.548 -2.509 1.00 72.04 H new ATOM 0 HG3 GLU A 36 -10.729 -9.014 -2.942 1.00 72.04 H new ATOM 580 N TRP A 37 -6.448 -10.270 -5.892 1.00 60.54 N ATOM 581 CA TRP A 37 -5.845 -10.574 -7.214 1.00 43.31 C ATOM 582 C TRP A 37 -4.387 -11.069 -7.061 1.00 71.05 C ATOM 583 O TRP A 37 -3.634 -11.082 -8.033 1.00 64.24 O ATOM 584 CB TRP A 37 -5.940 -9.331 -8.144 1.00 20.03 C ATOM 585 CG TRP A 37 -7.362 -8.939 -8.542 1.00 31.44 C ATOM 586 CD1 TRP A 37 -8.418 -8.715 -7.712 1.00 22.40 C ATOM 587 CD2 TRP A 37 -7.870 -8.712 -9.872 1.00 63.11 C ATOM 588 NE1 TRP A 37 -9.523 -8.350 -8.416 1.00 70.13 N ATOM 589 CE2 TRP A 37 -9.223 -8.336 -9.747 1.00 75.54 C ATOM 590 CE3 TRP A 37 -7.315 -8.774 -11.143 1.00 51.43 C ATOM 591 CZ2 TRP A 37 -10.026 -8.031 -10.847 1.00 50.40 C ATOM 592 CZ3 TRP A 37 -8.112 -8.477 -12.237 1.00 22.45 C ATOM 593 CH2 TRP A 37 -9.452 -8.104 -12.083 1.00 14.32 C ATOM 0 H TRP A 37 -6.202 -9.350 -5.525 1.00 60.54 H new ATOM 0 HA TRP A 37 -6.408 -11.384 -7.678 1.00 43.31 H new ATOM 0 HB2 TRP A 37 -5.470 -8.484 -7.644 1.00 20.03 H new ATOM 0 HB3 TRP A 37 -5.365 -9.526 -9.049 1.00 20.03 H new ATOM 0 HD1 TRP A 37 -8.383 -8.814 -6.637 1.00 22.40 H new ATOM 0 HE1 TRP A 37 -10.432 -8.123 -8.013 1.00 70.13 H new ATOM 0 HE3 TRP A 37 -6.279 -9.049 -11.277 1.00 51.43 H new ATOM 0 HZ2 TRP A 37 -11.061 -7.748 -10.725 1.00 50.40 H new ATOM 0 HZ3 TRP A 37 -7.690 -8.535 -13.230 1.00 22.45 H new ATOM 0 HH2 TRP A 37 -10.042 -7.870 -12.957 1.00 14.32 H new ATOM 604 N GLY A 38 -4.008 -11.489 -5.835 1.00 14.15 N ATOM 605 CA GLY A 38 -2.699 -12.122 -5.573 1.00 20.41 C ATOM 606 C GLY A 38 -1.494 -11.204 -5.799 1.00 35.31 C ATOM 607 O GLY A 38 -0.369 -11.672 -5.999 1.00 63.32 O ATOM 0 H GLY A 38 -4.596 -11.400 -5.006 1.00 14.15 H new ATOM 0 HA2 GLY A 38 -2.681 -12.477 -4.543 1.00 20.41 H new ATOM 0 HA3 GLY A 38 -2.598 -12.998 -6.214 1.00 20.41 H new ATOM 611 N ILE A 39 -1.749 -9.895 -5.728 1.00 1.41 N ATOM 612 CA ILE A 39 -0.748 -8.837 -5.936 1.00 42.10 C ATOM 613 C ILE A 39 -0.018 -8.585 -4.603 1.00 63.42 C ATOM 614 O ILE A 39 1.170 -8.244 -4.581 1.00 44.33 O ATOM 615 CB ILE A 39 -1.470 -7.530 -6.465 1.00 32.54 C ATOM 616 CG1 ILE A 39 -2.238 -7.835 -7.797 1.00 32.42 C ATOM 617 CG2 ILE A 39 -0.503 -6.342 -6.638 1.00 61.40 C ATOM 618 CD1 ILE A 39 -3.061 -6.683 -8.354 1.00 45.03 C ATOM 0 H ILE A 39 -2.678 -9.529 -5.520 1.00 1.41 H new ATOM 0 HA ILE A 39 -0.013 -9.136 -6.683 1.00 42.10 H new ATOM 0 HB ILE A 39 -2.189 -7.228 -5.704 1.00 32.54 H new ATOM 0 HG12 ILE A 39 -1.514 -8.140 -8.552 1.00 32.42 H new ATOM 0 HG13 ILE A 39 -2.900 -8.684 -7.628 1.00 32.42 H new ATOM 0 HG21 ILE A 39 -1.054 -5.475 -7.003 1.00 61.40 H new ATOM 0 HG22 ILE A 39 -0.044 -6.103 -5.678 1.00 61.40 H new ATOM 0 HG23 ILE A 39 0.274 -6.607 -7.356 1.00 61.40 H new ATOM 0 HD11 ILE A 39 -3.551 -6.998 -9.275 1.00 45.03 H new ATOM 0 HD12 ILE A 39 -3.815 -6.388 -7.624 1.00 45.03 H new ATOM 0 HD13 ILE A 39 -2.407 -5.836 -8.562 1.00 45.03 H new ATOM 630 N LEU A 40 -0.751 -8.796 -3.486 1.00 54.13 N ATOM 631 CA LEU A 40 -0.206 -8.702 -2.122 1.00 62.44 C ATOM 632 C LEU A 40 -0.187 -10.071 -1.427 1.00 50.42 C ATOM 633 O LEU A 40 -0.857 -11.015 -1.856 1.00 74.42 O ATOM 634 CB LEU A 40 -1.020 -7.690 -1.287 1.00 51.00 C ATOM 635 CG LEU A 40 -1.098 -6.247 -1.862 1.00 42.20 C ATOM 636 CD1 LEU A 40 -1.971 -5.341 -0.971 1.00 43.20 C ATOM 637 CD2 LEU A 40 0.308 -5.653 -2.062 1.00 21.35 C ATOM 0 H LEU A 40 -1.742 -9.037 -3.511 1.00 54.13 H new ATOM 0 HA LEU A 40 0.824 -8.353 -2.200 1.00 62.44 H new ATOM 0 HB2 LEU A 40 -2.035 -8.072 -1.176 1.00 51.00 H new ATOM 0 HB3 LEU A 40 -0.587 -7.640 -0.288 1.00 51.00 H new ATOM 0 HG LEU A 40 -1.574 -6.302 -2.841 1.00 42.20 H new ATOM 0 HD11 LEU A 40 -2.008 -4.338 -1.397 1.00 43.20 H new ATOM 0 HD12 LEU A 40 -2.980 -5.749 -0.916 1.00 43.20 H new ATOM 0 HD13 LEU A 40 -1.543 -5.294 0.030 1.00 43.20 H new ATOM 0 HD21 LEU A 40 0.223 -4.644 -2.465 1.00 21.35 H new ATOM 0 HD22 LEU A 40 0.828 -5.619 -1.105 1.00 21.35 H new ATOM 0 HD23 LEU A 40 0.870 -6.275 -2.758 1.00 21.35 H new ATOM 649 N ASN A 41 0.592 -10.124 -0.342 1.00 44.52 N ATOM 650 CA ASN A 41 0.865 -11.321 0.473 1.00 2.24 C ATOM 651 C ASN A 41 1.584 -10.836 1.749 1.00 33.34 C ATOM 652 O ASN A 41 2.198 -9.765 1.717 1.00 74.25 O ATOM 653 CB ASN A 41 1.756 -12.332 -0.318 1.00 4.21 C ATOM 654 CG ASN A 41 2.092 -13.617 0.454 1.00 32.10 C ATOM 655 OD1 ASN A 41 1.370 -14.615 0.383 1.00 33.23 O ATOM 656 ND2 ASN A 41 3.211 -13.603 1.177 1.00 21.12 N ATOM 0 H ASN A 41 1.074 -9.297 0.012 1.00 44.52 H new ATOM 0 HA ASN A 41 -0.059 -11.842 0.725 1.00 2.24 H new ATOM 0 HB2 ASN A 41 1.246 -12.601 -1.243 1.00 4.21 H new ATOM 0 HB3 ASN A 41 2.686 -11.837 -0.598 1.00 4.21 H new ATOM 0 HD21 ASN A 41 3.494 -14.435 1.694 1.00 21.12 H new ATOM 0 HD22 ASN A 41 3.784 -12.760 1.213 1.00 21.12 H new ATOM 663 N SER A 42 1.512 -11.620 2.852 1.00 60.02 N ATOM 664 CA SER A 42 2.109 -11.240 4.172 1.00 74.21 C ATOM 665 C SER A 42 3.552 -10.707 4.049 1.00 43.21 C ATOM 666 O SER A 42 3.858 -9.612 4.520 1.00 75.25 O ATOM 667 CB SER A 42 2.069 -12.451 5.166 1.00 62.30 C ATOM 668 OG SER A 42 0.857 -12.504 5.894 1.00 52.03 O ATOM 0 H SER A 42 1.045 -12.527 2.861 1.00 60.02 H new ATOM 0 HA SER A 42 1.498 -10.426 4.563 1.00 74.21 H new ATOM 0 HB2 SER A 42 2.198 -13.380 4.610 1.00 62.30 H new ATOM 0 HB3 SER A 42 2.905 -12.377 5.861 1.00 62.30 H new ATOM 0 HG SER A 42 0.873 -13.274 6.500 1.00 52.03 H new ATOM 673 N MET A 43 4.420 -11.499 3.411 1.00 41.04 N ATOM 674 CA MET A 43 5.869 -11.202 3.346 1.00 3.33 C ATOM 675 C MET A 43 6.176 -9.994 2.459 1.00 3.54 C ATOM 676 O MET A 43 7.172 -9.304 2.673 1.00 3.03 O ATOM 677 CB MET A 43 6.655 -12.449 2.884 1.00 30.42 C ATOM 678 CG MET A 43 6.444 -13.726 3.743 1.00 15.51 C ATOM 679 SD MET A 43 6.990 -13.584 5.474 1.00 3.44 S ATOM 680 CE MET A 43 5.546 -12.904 6.314 1.00 24.22 C ATOM 0 H MET A 43 4.150 -12.356 2.928 1.00 41.04 H new ATOM 0 HA MET A 43 6.194 -10.939 4.353 1.00 3.33 H new ATOM 0 HB2 MET A 43 6.375 -12.674 1.855 1.00 30.42 H new ATOM 0 HB3 MET A 43 7.718 -12.206 2.879 1.00 30.42 H new ATOM 0 HG2 MET A 43 5.385 -13.983 3.731 1.00 15.51 H new ATOM 0 HG3 MET A 43 6.978 -14.553 3.275 1.00 15.51 H new ATOM 0 HE1 MET A 43 5.715 -12.909 7.391 1.00 24.22 H new ATOM 0 HE2 MET A 43 5.378 -11.881 5.978 1.00 24.22 H new ATOM 0 HE3 MET A 43 4.671 -13.511 6.082 1.00 24.22 H new ATOM 690 N ASN A 44 5.305 -9.713 1.472 1.00 41.01 N ATOM 691 CA ASN A 44 5.500 -8.555 0.561 1.00 23.31 C ATOM 692 C ASN A 44 4.837 -7.288 1.139 1.00 12.03 C ATOM 693 O ASN A 44 5.200 -6.164 0.798 1.00 71.50 O ATOM 694 CB ASN A 44 5.041 -8.874 -0.897 1.00 54.10 C ATOM 695 CG ASN A 44 3.525 -8.926 -1.179 1.00 15.40 C ATOM 696 OD1 ASN A 44 2.713 -8.237 -0.562 1.00 34.13 O ATOM 697 ND2 ASN A 44 3.126 -9.735 -2.152 1.00 55.24 N ATOM 0 H ASN A 44 4.466 -10.261 1.281 1.00 41.01 H new ATOM 0 HA ASN A 44 6.569 -8.352 0.494 1.00 23.31 H new ATOM 0 HB2 ASN A 44 5.479 -8.125 -1.557 1.00 54.10 H new ATOM 0 HB3 ASN A 44 5.467 -9.837 -1.179 1.00 54.10 H new ATOM 0 HD21 ASN A 44 2.137 -9.791 -2.396 1.00 55.24 H new ATOM 0 HD22 ASN A 44 3.808 -10.301 -2.656 1.00 55.24 H new ATOM 704 N ILE A 45 3.880 -7.505 2.045 1.00 44.10 N ATOM 705 CA ILE A 45 3.155 -6.436 2.754 1.00 51.13 C ATOM 706 C ILE A 45 4.106 -5.651 3.676 1.00 64.43 C ATOM 707 O ILE A 45 3.935 -4.445 3.893 1.00 41.33 O ATOM 708 CB ILE A 45 1.922 -7.055 3.552 1.00 34.14 C ATOM 709 CG1 ILE A 45 0.587 -6.846 2.764 1.00 32.34 C ATOM 710 CG2 ILE A 45 1.819 -6.545 5.013 1.00 0.11 C ATOM 711 CD1 ILE A 45 -0.634 -7.438 3.433 1.00 14.43 C ATOM 0 H ILE A 45 3.579 -8.442 2.314 1.00 44.10 H new ATOM 0 HA ILE A 45 2.760 -5.726 2.027 1.00 51.13 H new ATOM 0 HB ILE A 45 2.106 -8.126 3.631 1.00 34.14 H new ATOM 0 HG12 ILE A 45 0.426 -5.777 2.623 1.00 32.34 H new ATOM 0 HG13 ILE A 45 0.692 -7.286 1.772 1.00 32.34 H new ATOM 0 HG21 ILE A 45 0.959 -7.005 5.499 1.00 0.11 H new ATOM 0 HG22 ILE A 45 2.727 -6.809 5.555 1.00 0.11 H new ATOM 0 HG23 ILE A 45 1.699 -5.462 5.013 1.00 0.11 H new ATOM 0 HD11 ILE A 45 -1.514 -7.247 2.819 1.00 14.43 H new ATOM 0 HD12 ILE A 45 -0.500 -8.513 3.550 1.00 14.43 H new ATOM 0 HD13 ILE A 45 -0.769 -6.981 4.413 1.00 14.43 H new ATOM 723 N VAL A 46 5.123 -6.361 4.177 1.00 50.41 N ATOM 724 CA VAL A 46 6.135 -5.801 5.084 1.00 62.14 C ATOM 725 C VAL A 46 6.996 -4.726 4.366 1.00 30.43 C ATOM 726 O VAL A 46 7.545 -3.814 4.998 1.00 1.41 O ATOM 727 CB VAL A 46 7.030 -6.944 5.668 1.00 63.02 C ATOM 728 CG1 VAL A 46 7.982 -6.400 6.741 1.00 54.13 C ATOM 729 CG2 VAL A 46 6.179 -8.100 6.247 1.00 21.10 C ATOM 0 H VAL A 46 5.269 -7.348 3.964 1.00 50.41 H new ATOM 0 HA VAL A 46 5.622 -5.310 5.911 1.00 62.14 H new ATOM 0 HB VAL A 46 7.621 -7.342 4.843 1.00 63.02 H new ATOM 0 HG11 VAL A 46 8.593 -7.214 7.131 1.00 54.13 H new ATOM 0 HG12 VAL A 46 8.628 -5.639 6.303 1.00 54.13 H new ATOM 0 HG13 VAL A 46 7.402 -5.960 7.553 1.00 54.13 H new ATOM 0 HG21 VAL A 46 6.837 -8.874 6.643 1.00 21.10 H new ATOM 0 HG22 VAL A 46 5.545 -7.719 7.047 1.00 21.10 H new ATOM 0 HG23 VAL A 46 5.555 -8.522 5.459 1.00 21.10 H new ATOM 739 N LYS A 47 7.051 -4.831 3.028 1.00 32.31 N ATOM 740 CA LYS A 47 7.744 -3.861 2.163 1.00 40.04 C ATOM 741 C LYS A 47 7.059 -2.487 2.247 1.00 24.24 C ATOM 742 O LYS A 47 7.730 -1.460 2.216 1.00 63.15 O ATOM 743 CB LYS A 47 7.787 -4.346 0.687 1.00 30.20 C ATOM 744 CG LYS A 47 8.823 -5.441 0.369 1.00 5.24 C ATOM 745 CD LYS A 47 8.596 -6.742 1.153 1.00 34.44 C ATOM 746 CE LYS A 47 9.557 -7.862 0.747 1.00 73.54 C ATOM 747 NZ LYS A 47 10.966 -7.537 1.064 1.00 15.21 N ATOM 0 H LYS A 47 6.614 -5.595 2.513 1.00 32.31 H new ATOM 0 HA LYS A 47 8.771 -3.772 2.519 1.00 40.04 H new ATOM 0 HB2 LYS A 47 6.799 -4.719 0.418 1.00 30.20 H new ATOM 0 HB3 LYS A 47 7.988 -3.486 0.048 1.00 30.20 H new ATOM 0 HG2 LYS A 47 8.794 -5.659 -0.699 1.00 5.24 H new ATOM 0 HG3 LYS A 47 9.821 -5.062 0.590 1.00 5.24 H new ATOM 0 HD2 LYS A 47 8.710 -6.542 2.218 1.00 34.44 H new ATOM 0 HD3 LYS A 47 7.570 -7.078 0.999 1.00 34.44 H new ATOM 0 HE2 LYS A 47 9.275 -8.782 1.258 1.00 73.54 H new ATOM 0 HE3 LYS A 47 9.462 -8.049 -0.323 1.00 73.54 H new ATOM 0 HZ1 LYS A 47 11.575 -8.339 0.802 1.00 15.21 H new ATOM 0 HZ2 LYS A 47 11.256 -6.693 0.530 1.00 15.21 H new ATOM 0 HZ3 LYS A 47 11.059 -7.351 2.083 1.00 15.21 H new ATOM 761 N LEU A 48 5.714 -2.485 2.363 1.00 14.54 N ATOM 762 CA LEU A 48 4.924 -1.238 2.481 1.00 4.30 C ATOM 763 C LEU A 48 5.193 -0.533 3.816 1.00 1.44 C ATOM 764 O LEU A 48 5.192 0.694 3.871 1.00 24.44 O ATOM 765 CB LEU A 48 3.394 -1.478 2.308 1.00 44.14 C ATOM 766 CG LEU A 48 2.914 -1.906 0.876 1.00 1.12 C ATOM 767 CD1 LEU A 48 3.531 -1.004 -0.233 1.00 21.24 C ATOM 768 CD2 LEU A 48 3.184 -3.400 0.595 1.00 45.33 C ATOM 0 H LEU A 48 5.150 -3.335 2.378 1.00 14.54 H new ATOM 0 HA LEU A 48 5.252 -0.594 1.665 1.00 4.30 H new ATOM 0 HB2 LEU A 48 3.086 -2.248 3.016 1.00 44.14 H new ATOM 0 HB3 LEU A 48 2.871 -0.563 2.585 1.00 44.14 H new ATOM 0 HG LEU A 48 1.834 -1.764 0.854 1.00 1.12 H new ATOM 0 HD11 LEU A 48 3.174 -1.332 -1.209 1.00 21.24 H new ATOM 0 HD12 LEU A 48 3.233 0.031 -0.067 1.00 21.24 H new ATOM 0 HD13 LEU A 48 4.618 -1.079 -0.200 1.00 21.24 H new ATOM 0 HD21 LEU A 48 2.835 -3.651 -0.407 1.00 45.33 H new ATOM 0 HD22 LEU A 48 4.254 -3.596 0.667 1.00 45.33 H new ATOM 0 HD23 LEU A 48 2.654 -4.009 1.327 1.00 45.33 H new ATOM 780 N MET A 49 5.450 -1.320 4.874 1.00 12.35 N ATOM 781 CA MET A 49 5.683 -0.779 6.232 1.00 14.32 C ATOM 782 C MET A 49 6.938 0.111 6.234 1.00 65.12 C ATOM 783 O MET A 49 6.891 1.261 6.674 1.00 24.03 O ATOM 784 CB MET A 49 5.846 -1.917 7.276 1.00 52.11 C ATOM 785 CG MET A 49 4.725 -2.962 7.295 1.00 51.22 C ATOM 786 SD MET A 49 5.116 -4.329 8.414 1.00 43.41 S ATOM 787 CE MET A 49 3.845 -5.525 8.021 1.00 54.23 C ATOM 0 H MET A 49 5.503 -2.337 4.819 1.00 12.35 H new ATOM 0 HA MET A 49 4.812 -0.186 6.510 1.00 14.32 H new ATOM 0 HB2 MET A 49 6.791 -2.427 7.087 1.00 52.11 H new ATOM 0 HB3 MET A 49 5.918 -1.469 8.267 1.00 52.11 H new ATOM 0 HG2 MET A 49 3.792 -2.491 7.605 1.00 51.22 H new ATOM 0 HG3 MET A 49 4.568 -3.348 6.288 1.00 51.22 H new ATOM 0 HE1 MET A 49 3.681 -6.177 8.879 1.00 54.23 H new ATOM 0 HE2 MET A 49 2.918 -5.005 7.778 1.00 54.23 H new ATOM 0 HE3 MET A 49 4.160 -6.123 7.166 1.00 54.23 H new ATOM 797 N VAL A 50 8.043 -0.441 5.700 1.00 31.54 N ATOM 798 CA VAL A 50 9.334 0.274 5.609 1.00 4.24 C ATOM 799 C VAL A 50 9.292 1.368 4.517 1.00 10.52 C ATOM 800 O VAL A 50 9.975 2.393 4.630 1.00 14.14 O ATOM 801 CB VAL A 50 10.535 -0.713 5.345 1.00 73.35 C ATOM 802 CG1 VAL A 50 10.414 -1.433 3.981 1.00 30.12 C ATOM 803 CG2 VAL A 50 11.905 0.004 5.469 1.00 53.44 C ATOM 0 H VAL A 50 8.069 -1.388 5.321 1.00 31.54 H new ATOM 0 HA VAL A 50 9.499 0.752 6.575 1.00 4.24 H new ATOM 0 HB VAL A 50 10.482 -1.476 6.122 1.00 73.35 H new ATOM 0 HG11 VAL A 50 11.264 -2.101 3.846 1.00 30.12 H new ATOM 0 HG12 VAL A 50 9.490 -2.011 3.955 1.00 30.12 H new ATOM 0 HG13 VAL A 50 10.402 -0.694 3.179 1.00 30.12 H new ATOM 0 HG21 VAL A 50 12.707 -0.709 5.280 1.00 53.44 H new ATOM 0 HG22 VAL A 50 11.960 0.813 4.740 1.00 53.44 H new ATOM 0 HG23 VAL A 50 12.012 0.413 6.474 1.00 53.44 H new ATOM 813 N TYR A 51 8.472 1.138 3.472 1.00 42.41 N ATOM 814 CA TYR A 51 8.318 2.085 2.347 1.00 70.41 C ATOM 815 C TYR A 51 7.801 3.423 2.866 1.00 1.14 C ATOM 816 O TYR A 51 8.479 4.440 2.786 1.00 42.24 O ATOM 817 CB TYR A 51 7.341 1.530 1.287 1.00 63.41 C ATOM 818 CG TYR A 51 7.251 2.385 0.014 1.00 33.22 C ATOM 819 CD1 TYR A 51 8.247 2.325 -0.960 1.00 52.15 C ATOM 820 CD2 TYR A 51 6.169 3.230 -0.216 1.00 42.04 C ATOM 821 CE1 TYR A 51 8.163 3.074 -2.120 1.00 71.02 C ATOM 822 CE2 TYR A 51 6.083 3.982 -1.368 1.00 51.45 C ATOM 823 CZ TYR A 51 7.069 3.900 -2.320 1.00 63.31 C ATOM 824 OH TYR A 51 6.960 4.661 -3.465 1.00 42.24 O ATOM 0 H TYR A 51 7.901 0.297 3.383 1.00 42.41 H new ATOM 0 HA TYR A 51 9.293 2.223 1.880 1.00 70.41 H new ATOM 0 HB2 TYR A 51 7.651 0.521 1.014 1.00 63.41 H new ATOM 0 HB3 TYR A 51 6.348 1.449 1.729 1.00 63.41 H new ATOM 0 HD1 TYR A 51 9.100 1.681 -0.806 1.00 52.15 H new ATOM 0 HD2 TYR A 51 5.383 3.298 0.521 1.00 42.04 H new ATOM 0 HE1 TYR A 51 8.944 3.015 -2.864 1.00 71.02 H new ATOM 0 HE2 TYR A 51 5.238 4.637 -1.522 1.00 51.45 H new ATOM 0 HH TYR A 51 6.370 4.208 -4.104 1.00 42.24 H new ATOM 834 N ILE A 52 6.610 3.353 3.447 1.00 40.05 N ATOM 835 CA ILE A 52 5.850 4.503 3.941 1.00 64.41 C ATOM 836 C ILE A 52 6.565 5.158 5.144 1.00 31.10 C ATOM 837 O ILE A 52 6.433 6.362 5.385 1.00 24.34 O ATOM 838 CB ILE A 52 4.408 4.013 4.310 1.00 33.22 C ATOM 839 CG1 ILE A 52 3.732 3.350 3.060 1.00 74.12 C ATOM 840 CG2 ILE A 52 3.539 5.153 4.858 1.00 50.24 C ATOM 841 CD1 ILE A 52 2.512 2.509 3.372 1.00 14.33 C ATOM 0 H ILE A 52 6.127 2.467 3.594 1.00 40.05 H new ATOM 0 HA ILE A 52 5.780 5.271 3.170 1.00 64.41 H new ATOM 0 HB ILE A 52 4.499 3.270 5.103 1.00 33.22 H new ATOM 0 HG12 ILE A 52 3.446 4.135 2.360 1.00 74.12 H new ATOM 0 HG13 ILE A 52 4.468 2.725 2.555 1.00 74.12 H new ATOM 0 HG21 ILE A 52 2.548 4.770 5.101 1.00 50.24 H new ATOM 0 HG22 ILE A 52 4.000 5.563 5.757 1.00 50.24 H new ATOM 0 HG23 ILE A 52 3.451 5.937 4.106 1.00 50.24 H new ATOM 0 HD11 ILE A 52 2.112 2.091 2.448 1.00 14.33 H new ATOM 0 HD12 ILE A 52 2.791 1.699 4.046 1.00 14.33 H new ATOM 0 HD13 ILE A 52 1.753 3.131 3.847 1.00 14.33 H new ATOM 853 N ARG A 53 7.328 4.341 5.888 1.00 71.24 N ATOM 854 CA ARG A 53 8.209 4.825 6.970 1.00 24.34 C ATOM 855 C ARG A 53 9.293 5.797 6.423 1.00 51.12 C ATOM 856 O ARG A 53 9.502 6.879 6.973 1.00 20.52 O ATOM 857 CB ARG A 53 8.860 3.622 7.709 1.00 11.45 C ATOM 858 CG ARG A 53 9.935 4.020 8.741 1.00 64.34 C ATOM 859 CD ARG A 53 9.400 4.917 9.877 1.00 20.12 C ATOM 860 NE ARG A 53 10.493 5.639 10.550 1.00 53.11 N ATOM 861 CZ ARG A 53 10.363 6.808 11.178 1.00 64.13 C ATOM 862 NH1 ARG A 53 9.188 7.419 11.255 1.00 34.44 N ATOM 863 NH2 ARG A 53 11.429 7.371 11.721 1.00 24.34 N ATOM 0 H ARG A 53 7.354 3.329 5.759 1.00 71.24 H new ATOM 0 HA ARG A 53 7.601 5.383 7.683 1.00 24.34 H new ATOM 0 HB2 ARG A 53 8.079 3.055 8.215 1.00 11.45 H new ATOM 0 HB3 ARG A 53 9.309 2.957 6.971 1.00 11.45 H new ATOM 0 HG2 ARG A 53 10.363 3.116 9.174 1.00 64.34 H new ATOM 0 HG3 ARG A 53 10.743 4.541 8.228 1.00 64.34 H new ATOM 0 HD2 ARG A 53 8.684 5.632 9.472 1.00 20.12 H new ATOM 0 HD3 ARG A 53 8.864 4.306 10.603 1.00 20.12 H new ATOM 0 HE ARG A 53 11.419 5.213 10.535 1.00 53.11 H new ATOM 0 HH11 ARG A 53 8.364 6.995 10.829 1.00 34.44 H new ATOM 0 HH12 ARG A 53 9.109 8.313 11.740 1.00 34.44 H new ATOM 0 HH21 ARG A 53 12.337 6.911 11.657 1.00 24.34 H new ATOM 0 HH22 ARG A 53 11.343 8.265 12.204 1.00 24.34 H new ATOM 877 N ASP A 54 9.963 5.394 5.338 1.00 3.12 N ATOM 878 CA ASP A 54 11.028 6.200 4.686 1.00 14.42 C ATOM 879 C ASP A 54 10.418 7.373 3.890 1.00 52.10 C ATOM 880 O ASP A 54 10.981 8.471 3.835 1.00 21.40 O ATOM 881 CB ASP A 54 11.865 5.271 3.760 1.00 3.14 C ATOM 882 CG ASP A 54 12.953 5.998 2.948 1.00 24.14 C ATOM 883 OD1 ASP A 54 13.958 6.432 3.550 1.00 73.53 O ATOM 884 OD2 ASP A 54 12.816 6.141 1.709 1.00 33.40 O ATOM 0 H ASP A 54 9.790 4.500 4.878 1.00 3.12 H new ATOM 0 HA ASP A 54 11.678 6.630 5.448 1.00 14.42 H new ATOM 0 HB2 ASP A 54 12.337 4.500 4.369 1.00 3.14 H new ATOM 0 HB3 ASP A 54 11.191 4.763 3.070 1.00 3.14 H new ATOM 889 N GLU A 55 9.244 7.114 3.313 1.00 2.40 N ATOM 890 CA GLU A 55 8.550 8.041 2.403 1.00 63.12 C ATOM 891 C GLU A 55 7.896 9.203 3.166 1.00 32.24 C ATOM 892 O GLU A 55 8.233 10.375 2.959 1.00 41.42 O ATOM 893 CB GLU A 55 7.483 7.238 1.608 1.00 43.40 C ATOM 894 CG GLU A 55 6.618 8.037 0.608 1.00 73.12 C ATOM 895 CD GLU A 55 7.406 8.747 -0.502 1.00 33.10 C ATOM 896 OE1 GLU A 55 8.163 8.067 -1.234 1.00 32.11 O ATOM 897 OE2 GLU A 55 7.251 9.980 -0.678 1.00 73.12 O ATOM 0 H GLU A 55 8.736 6.242 3.464 1.00 2.40 H new ATOM 0 HA GLU A 55 9.276 8.482 1.720 1.00 63.12 H new ATOM 0 HB2 GLU A 55 7.992 6.445 1.060 1.00 43.40 H new ATOM 0 HB3 GLU A 55 6.818 6.755 2.323 1.00 43.40 H new ATOM 0 HG2 GLU A 55 5.900 7.358 0.147 1.00 73.12 H new ATOM 0 HG3 GLU A 55 6.044 8.781 1.160 1.00 73.12 H new ATOM 904 N MET A 56 6.954 8.853 4.043 1.00 12.30 N ATOM 905 CA MET A 56 6.079 9.820 4.744 1.00 73.13 C ATOM 906 C MET A 56 6.328 9.851 6.260 1.00 42.22 C ATOM 907 O MET A 56 5.610 10.543 6.995 1.00 62.13 O ATOM 908 CB MET A 56 4.601 9.471 4.426 1.00 45.14 C ATOM 909 CG MET A 56 4.144 9.868 3.016 1.00 74.50 C ATOM 910 SD MET A 56 2.575 9.108 2.567 1.00 72.31 S ATOM 911 CE MET A 56 3.112 7.462 2.090 1.00 51.20 C ATOM 0 H MET A 56 6.768 7.883 4.296 1.00 12.30 H new ATOM 0 HA MET A 56 6.312 10.822 4.384 1.00 73.13 H new ATOM 0 HB2 MET A 56 4.459 8.398 4.552 1.00 45.14 H new ATOM 0 HB3 MET A 56 3.959 9.965 5.155 1.00 45.14 H new ATOM 0 HG2 MET A 56 4.049 10.952 2.959 1.00 74.50 H new ATOM 0 HG3 MET A 56 4.906 9.576 2.294 1.00 74.50 H new ATOM 0 HE1 MET A 56 2.920 7.310 1.028 1.00 51.20 H new ATOM 0 HE2 MET A 56 4.179 7.357 2.285 1.00 51.20 H new ATOM 0 HE3 MET A 56 2.563 6.718 2.668 1.00 51.20 H new ATOM 921 N GLY A 57 7.344 9.111 6.717 1.00 3.02 N ATOM 922 CA GLY A 57 7.730 9.102 8.127 1.00 43.45 C ATOM 923 C GLY A 57 6.777 8.330 9.021 1.00 43.34 C ATOM 924 O GLY A 57 6.832 8.471 10.239 1.00 74.25 O ATOM 0 H GLY A 57 7.915 8.508 6.125 1.00 3.02 H new ATOM 0 HA2 GLY A 57 8.727 8.671 8.218 1.00 43.45 H new ATOM 0 HA3 GLY A 57 7.794 10.130 8.483 1.00 43.45 H new ATOM 928 N VAL A 58 5.924 7.480 8.436 1.00 54.41 N ATOM 929 CA VAL A 58 4.885 6.754 9.192 1.00 21.53 C ATOM 930 C VAL A 58 4.872 5.266 8.782 1.00 60.30 C ATOM 931 O VAL A 58 4.739 4.944 7.615 1.00 24.44 O ATOM 932 CB VAL A 58 3.459 7.423 8.987 1.00 74.54 C ATOM 933 CG1 VAL A 58 3.098 7.590 7.493 1.00 24.23 C ATOM 934 CG2 VAL A 58 2.362 6.632 9.726 1.00 63.14 C ATOM 0 H VAL A 58 5.930 7.275 7.437 1.00 54.41 H new ATOM 0 HA VAL A 58 5.122 6.814 10.254 1.00 21.53 H new ATOM 0 HB VAL A 58 3.516 8.422 9.419 1.00 74.54 H new ATOM 0 HG11 VAL A 58 2.114 8.052 7.406 1.00 24.23 H new ATOM 0 HG12 VAL A 58 3.840 8.224 7.008 1.00 24.23 H new ATOM 0 HG13 VAL A 58 3.084 6.613 7.011 1.00 24.23 H new ATOM 0 HG21 VAL A 58 1.397 7.113 9.568 1.00 63.14 H new ATOM 0 HG22 VAL A 58 2.327 5.613 9.341 1.00 63.14 H new ATOM 0 HG23 VAL A 58 2.586 6.610 10.793 1.00 63.14 H new ATOM 944 N SER A 59 5.065 4.361 9.745 1.00 22.24 N ATOM 945 CA SER A 59 4.873 2.924 9.528 1.00 33.14 C ATOM 946 C SER A 59 3.535 2.515 10.148 1.00 1.41 C ATOM 947 O SER A 59 3.141 3.051 11.204 1.00 73.42 O ATOM 948 CB SER A 59 6.039 2.126 10.150 1.00 41.32 C ATOM 949 OG SER A 59 5.881 0.725 9.950 1.00 11.20 O ATOM 0 H SER A 59 5.357 4.601 10.692 1.00 22.24 H new ATOM 0 HA SER A 59 4.860 2.705 8.460 1.00 33.14 H new ATOM 0 HB2 SER A 59 6.981 2.453 9.709 1.00 41.32 H new ATOM 0 HB3 SER A 59 6.097 2.337 11.218 1.00 41.32 H new ATOM 0 HG SER A 59 6.637 0.250 10.354 1.00 11.20 H new ATOM 955 N ILE A 60 2.832 1.589 9.488 1.00 70.10 N ATOM 956 CA ILE A 60 1.604 1.005 10.030 1.00 1.22 C ATOM 957 C ILE A 60 1.980 0.033 11.170 1.00 72.21 C ATOM 958 O ILE A 60 2.861 -0.816 10.964 1.00 63.32 O ATOM 959 CB ILE A 60 0.753 0.219 8.966 1.00 30.25 C ATOM 960 CG1 ILE A 60 0.489 1.071 7.686 1.00 5.22 C ATOM 961 CG2 ILE A 60 -0.577 -0.263 9.601 1.00 62.55 C ATOM 962 CD1 ILE A 60 -0.643 0.556 6.823 1.00 10.35 C ATOM 0 H ILE A 60 3.096 1.227 8.572 1.00 70.10 H new ATOM 0 HA ILE A 60 0.989 1.834 10.381 1.00 1.22 H new ATOM 0 HB ILE A 60 1.329 -0.652 8.651 1.00 30.25 H new ATOM 0 HG12 ILE A 60 0.267 2.096 7.984 1.00 5.22 H new ATOM 0 HG13 ILE A 60 1.401 1.103 7.089 1.00 5.22 H new ATOM 0 HG21 ILE A 60 -1.160 -0.806 8.857 1.00 62.55 H new ATOM 0 HG22 ILE A 60 -0.361 -0.920 10.443 1.00 62.55 H new ATOM 0 HG23 ILE A 60 -1.147 0.598 9.950 1.00 62.55 H new ATOM 0 HD11 ILE A 60 -0.762 1.203 5.954 1.00 10.35 H new ATOM 0 HD12 ILE A 60 -0.416 -0.457 6.492 1.00 10.35 H new ATOM 0 HD13 ILE A 60 -1.567 0.551 7.401 1.00 10.35 H new ATOM 974 N PRO A 61 1.353 0.163 12.391 1.00 23.14 N ATOM 975 CA PRO A 61 1.535 -0.821 13.481 1.00 45.21 C ATOM 976 C PRO A 61 1.061 -2.230 13.070 1.00 4.15 C ATOM 977 O PRO A 61 0.110 -2.366 12.289 1.00 43.44 O ATOM 978 CB PRO A 61 0.688 -0.244 14.654 1.00 74.04 C ATOM 979 CG PRO A 61 -0.253 0.734 14.023 1.00 44.33 C ATOM 980 CD PRO A 61 0.467 1.289 12.816 1.00 14.43 C ATOM 0 HA PRO A 61 2.583 -0.952 13.750 1.00 45.21 H new ATOM 0 HB2 PRO A 61 0.144 -1.034 15.171 1.00 74.04 H new ATOM 0 HB3 PRO A 61 1.323 0.243 15.394 1.00 74.04 H new ATOM 0 HG2 PRO A 61 -1.184 0.247 13.732 1.00 44.33 H new ATOM 0 HG3 PRO A 61 -0.514 1.529 14.721 1.00 44.33 H new ATOM 0 HD2 PRO A 61 -0.230 1.571 12.027 1.00 14.43 H new ATOM 0 HD3 PRO A 61 1.042 2.180 13.066 1.00 14.43 H new ATOM 988 N SER A 62 1.707 -3.259 13.640 1.00 71.52 N ATOM 989 CA SER A 62 1.522 -4.669 13.247 1.00 44.30 C ATOM 990 C SER A 62 0.077 -5.176 13.493 1.00 30.43 C ATOM 991 O SER A 62 -0.395 -6.097 12.814 1.00 32.15 O ATOM 992 CB SER A 62 2.558 -5.520 13.996 1.00 42.53 C ATOM 993 OG SER A 62 2.512 -5.270 15.393 1.00 2.23 O ATOM 0 H SER A 62 2.381 -3.136 14.396 1.00 71.52 H new ATOM 0 HA SER A 62 1.677 -4.757 12.172 1.00 44.30 H new ATOM 0 HB2 SER A 62 2.370 -6.577 13.806 1.00 42.53 H new ATOM 0 HB3 SER A 62 3.556 -5.300 13.617 1.00 42.53 H new ATOM 0 HG SER A 62 3.180 -5.825 15.847 1.00 2.23 H new ATOM 999 N THR A 63 -0.607 -4.550 14.459 1.00 51.04 N ATOM 1000 CA THR A 63 -2.017 -4.839 14.778 1.00 72.45 C ATOM 1001 C THR A 63 -2.971 -4.302 13.687 1.00 53.13 C ATOM 1002 O THR A 63 -4.043 -4.874 13.441 1.00 15.31 O ATOM 1003 CB THR A 63 -2.383 -4.234 16.168 1.00 71.31 C ATOM 1004 OG1 THR A 63 -3.740 -4.553 16.525 1.00 51.54 O ATOM 1005 CG2 THR A 63 -2.160 -2.706 16.219 1.00 62.04 C ATOM 0 H THR A 63 -0.198 -3.824 15.047 1.00 51.04 H new ATOM 0 HA THR A 63 -2.138 -5.922 14.814 1.00 72.45 H new ATOM 0 HB THR A 63 -1.710 -4.687 16.896 1.00 71.31 H new ATOM 0 HG1 THR A 63 -3.948 -4.165 17.401 1.00 51.54 H new ATOM 0 HG21 THR A 63 -2.429 -2.332 17.207 1.00 62.04 H new ATOM 0 HG22 THR A 63 -1.111 -2.484 16.020 1.00 62.04 H new ATOM 0 HG23 THR A 63 -2.782 -2.222 15.466 1.00 62.04 H new ATOM 1013 N HIS A 64 -2.561 -3.201 13.036 1.00 54.12 N ATOM 1014 CA HIS A 64 -3.349 -2.523 11.984 1.00 31.20 C ATOM 1015 C HIS A 64 -3.047 -3.152 10.607 1.00 32.22 C ATOM 1016 O HIS A 64 -3.653 -2.772 9.598 1.00 30.22 O ATOM 1017 CB HIS A 64 -3.028 -1.000 12.040 1.00 62.24 C ATOM 1018 CG HIS A 64 -3.983 -0.080 11.311 1.00 1.42 C ATOM 1019 ND1 HIS A 64 -4.948 0.663 11.958 1.00 3.44 N ATOM 1020 CD2 HIS A 64 -4.075 0.268 10.009 1.00 15.33 C ATOM 1021 CE1 HIS A 64 -5.588 1.414 11.092 1.00 72.22 C ATOM 1022 NE2 HIS A 64 -5.077 1.194 9.896 1.00 43.14 N ATOM 0 H HIS A 64 -1.666 -2.750 13.224 1.00 54.12 H new ATOM 0 HA HIS A 64 -4.419 -2.651 12.150 1.00 31.20 H new ATOM 0 HB2 HIS A 64 -2.995 -0.697 13.086 1.00 62.24 H new ATOM 0 HB3 HIS A 64 -2.029 -0.847 11.632 1.00 62.24 H new ATOM 0 HD1 HIS A 64 -5.136 0.633 12.960 1.00 3.44 H new ATOM 0 HD2 HIS A 64 -3.468 -0.115 9.202 1.00 15.33 H new ATOM 0 HE1 HIS A 64 -6.395 2.095 11.320 1.00 72.22 H new ATOM 1031 N ILE A 65 -2.117 -4.132 10.575 1.00 74.31 N ATOM 1032 CA ILE A 65 -1.801 -4.884 9.360 1.00 63.22 C ATOM 1033 C ILE A 65 -2.848 -5.977 9.155 1.00 45.31 C ATOM 1034 O ILE A 65 -2.769 -7.054 9.770 1.00 22.41 O ATOM 1035 CB ILE A 65 -0.373 -5.527 9.408 1.00 24.11 C ATOM 1036 CG1 ILE A 65 0.702 -4.467 9.754 1.00 54.41 C ATOM 1037 CG2 ILE A 65 -0.041 -6.218 8.073 1.00 12.13 C ATOM 1038 CD1 ILE A 65 0.835 -3.364 8.738 1.00 63.34 C ATOM 0 H ILE A 65 -1.573 -4.416 11.390 1.00 74.31 H new ATOM 0 HA ILE A 65 -1.812 -4.182 8.526 1.00 63.22 H new ATOM 0 HB ILE A 65 -0.371 -6.281 10.195 1.00 24.11 H new ATOM 0 HG12 ILE A 65 0.463 -4.026 10.722 1.00 54.41 H new ATOM 0 HG13 ILE A 65 1.666 -4.965 9.860 1.00 54.41 H new ATOM 0 HG21 ILE A 65 0.955 -6.658 8.129 1.00 12.13 H new ATOM 0 HG22 ILE A 65 -0.773 -7.001 7.877 1.00 12.13 H new ATOM 0 HG23 ILE A 65 -0.070 -5.485 7.267 1.00 12.13 H new ATOM 0 HD11 ILE A 65 1.609 -2.666 9.058 1.00 63.34 H new ATOM 0 HD12 ILE A 65 1.107 -3.790 7.772 1.00 63.34 H new ATOM 0 HD13 ILE A 65 -0.115 -2.836 8.647 1.00 63.34 H new ATOM 1050 N THR A 66 -3.860 -5.671 8.342 1.00 53.25 N ATOM 1051 CA THR A 66 -4.948 -6.601 8.058 1.00 40.53 C ATOM 1052 C THR A 66 -5.576 -6.320 6.680 1.00 21.04 C ATOM 1053 O THR A 66 -5.326 -5.273 6.071 1.00 5.12 O ATOM 1054 CB THR A 66 -6.019 -6.550 9.198 1.00 74.21 C ATOM 1055 OG1 THR A 66 -7.139 -7.391 8.888 1.00 55.20 O ATOM 1056 CG2 THR A 66 -6.505 -5.124 9.478 1.00 3.51 C ATOM 0 H THR A 66 -3.946 -4.774 7.864 1.00 53.25 H new ATOM 0 HA THR A 66 -4.538 -7.610 8.024 1.00 40.53 H new ATOM 0 HB THR A 66 -5.530 -6.919 10.099 1.00 74.21 H new ATOM 0 HG1 THR A 66 -7.794 -7.344 9.615 1.00 55.20 H new ATOM 0 HG21 THR A 66 -7.247 -5.143 10.277 1.00 3.51 H new ATOM 0 HG22 THR A 66 -5.661 -4.505 9.781 1.00 3.51 H new ATOM 0 HG23 THR A 66 -6.954 -4.709 8.576 1.00 3.51 H new ATOM 1064 N GLY A 67 -6.425 -7.262 6.231 1.00 54.22 N ATOM 1065 CA GLY A 67 -7.008 -7.248 4.895 1.00 34.12 C ATOM 1066 C GLY A 67 -7.788 -5.978 4.553 1.00 34.13 C ATOM 1067 O GLY A 67 -7.637 -5.440 3.464 1.00 21.45 O ATOM 0 H GLY A 67 -6.722 -8.057 6.797 1.00 54.22 H new ATOM 0 HA2 GLY A 67 -6.210 -7.376 4.164 1.00 34.12 H new ATOM 0 HA3 GLY A 67 -7.674 -8.105 4.795 1.00 34.12 H new ATOM 1071 N LYS A 68 -8.595 -5.483 5.506 1.00 33.12 N ATOM 1072 CA LYS A 68 -9.486 -4.324 5.282 1.00 53.23 C ATOM 1073 C LYS A 68 -8.716 -3.030 4.919 1.00 31.30 C ATOM 1074 O LYS A 68 -9.214 -2.198 4.160 1.00 2.13 O ATOM 1075 CB LYS A 68 -10.375 -4.096 6.518 1.00 52.13 C ATOM 1076 CG LYS A 68 -9.615 -3.870 7.839 1.00 24.42 C ATOM 1077 CD LYS A 68 -10.535 -3.692 9.076 1.00 23.43 C ATOM 1078 CE LYS A 68 -11.278 -4.982 9.500 1.00 22.52 C ATOM 1079 NZ LYS A 68 -12.364 -5.376 8.554 1.00 24.21 N ATOM 0 H LYS A 68 -8.651 -5.869 6.448 1.00 33.12 H new ATOM 0 HA LYS A 68 -10.110 -4.563 4.421 1.00 53.23 H new ATOM 0 HB2 LYS A 68 -11.014 -3.232 6.332 1.00 52.13 H new ATOM 0 HB3 LYS A 68 -11.031 -4.958 6.638 1.00 52.13 H new ATOM 0 HG2 LYS A 68 -8.950 -4.716 8.013 1.00 24.42 H new ATOM 0 HG3 LYS A 68 -8.986 -2.986 7.737 1.00 24.42 H new ATOM 0 HD2 LYS A 68 -9.935 -3.339 9.914 1.00 23.43 H new ATOM 0 HD3 LYS A 68 -11.270 -2.916 8.861 1.00 23.43 H new ATOM 0 HE2 LYS A 68 -10.560 -5.798 9.578 1.00 22.52 H new ATOM 0 HE3 LYS A 68 -11.705 -4.838 10.493 1.00 22.52 H new ATOM 0 HZ1 LYS A 68 -13.209 -5.654 9.092 1.00 24.21 H new ATOM 0 HZ2 LYS A 68 -12.596 -4.572 7.937 1.00 24.21 H new ATOM 0 HZ3 LYS A 68 -12.045 -6.177 7.973 1.00 24.21 H new ATOM 1093 N TYR A 69 -7.501 -2.880 5.465 1.00 44.13 N ATOM 1094 CA TYR A 69 -6.663 -1.682 5.251 1.00 41.00 C ATOM 1095 C TYR A 69 -5.701 -1.866 4.077 1.00 21.04 C ATOM 1096 O TYR A 69 -5.065 -0.902 3.637 1.00 72.31 O ATOM 1097 CB TYR A 69 -5.889 -1.349 6.544 1.00 62.21 C ATOM 1098 CG TYR A 69 -6.807 -0.967 7.726 1.00 61.24 C ATOM 1099 CD1 TYR A 69 -7.692 0.115 7.631 1.00 35.31 C ATOM 1100 CD2 TYR A 69 -6.813 -1.694 8.917 1.00 52.25 C ATOM 1101 CE1 TYR A 69 -8.528 0.454 8.671 1.00 51.23 C ATOM 1102 CE2 TYR A 69 -7.657 -1.357 9.962 1.00 5.41 C ATOM 1103 CZ TYR A 69 -8.509 -0.281 9.832 1.00 61.34 C ATOM 1104 OH TYR A 69 -9.348 0.059 10.865 1.00 61.21 O ATOM 0 H TYR A 69 -7.069 -3.581 6.066 1.00 44.13 H new ATOM 0 HA TYR A 69 -7.320 -0.849 5.001 1.00 41.00 H new ATOM 0 HB2 TYR A 69 -5.283 -2.209 6.828 1.00 62.21 H new ATOM 0 HB3 TYR A 69 -5.202 -0.526 6.346 1.00 62.21 H new ATOM 0 HD1 TYR A 69 -7.719 0.696 6.721 1.00 35.31 H new ATOM 0 HD2 TYR A 69 -6.146 -2.536 9.026 1.00 52.25 H new ATOM 0 HE1 TYR A 69 -9.197 1.296 8.575 1.00 51.23 H new ATOM 0 HE2 TYR A 69 -7.648 -1.934 10.875 1.00 5.41 H new ATOM 0 HH TYR A 69 -9.213 -0.559 11.613 1.00 61.21 H new ATOM 1114 N PHE A 70 -5.592 -3.102 3.574 1.00 53.31 N ATOM 1115 CA PHE A 70 -4.702 -3.444 2.443 1.00 54.14 C ATOM 1116 C PHE A 70 -5.477 -4.006 1.245 1.00 24.35 C ATOM 1117 O PHE A 70 -4.848 -4.528 0.318 1.00 64.23 O ATOM 1118 CB PHE A 70 -3.601 -4.445 2.899 1.00 45.22 C ATOM 1119 CG PHE A 70 -2.492 -3.812 3.749 1.00 21.35 C ATOM 1120 CD1 PHE A 70 -1.419 -3.156 3.138 1.00 44.03 C ATOM 1121 CD2 PHE A 70 -2.524 -3.863 5.141 1.00 1.41 C ATOM 1122 CE1 PHE A 70 -0.411 -2.589 3.890 1.00 21.04 C ATOM 1123 CE2 PHE A 70 -1.515 -3.294 5.890 1.00 15.20 C ATOM 1124 CZ PHE A 70 -0.461 -2.655 5.263 1.00 32.32 C ATOM 0 H PHE A 70 -6.117 -3.898 3.936 1.00 53.31 H new ATOM 0 HA PHE A 70 -4.227 -2.519 2.115 1.00 54.14 H new ATOM 0 HB2 PHE A 70 -4.068 -5.247 3.470 1.00 45.22 H new ATOM 0 HB3 PHE A 70 -3.152 -4.901 2.017 1.00 45.22 H new ATOM 0 HD1 PHE A 70 -1.379 -3.092 2.061 1.00 44.03 H new ATOM 0 HD2 PHE A 70 -3.348 -4.353 5.639 1.00 1.41 H new ATOM 0 HE1 PHE A 70 0.416 -2.094 3.402 1.00 21.04 H new ATOM 0 HE2 PHE A 70 -1.548 -3.348 6.968 1.00 15.20 H new ATOM 0 HZ PHE A 70 0.325 -2.207 5.853 1.00 32.32 H new ATOM 1134 N LYS A 71 -6.827 -3.882 1.259 1.00 54.44 N ATOM 1135 CA LYS A 71 -7.704 -4.415 0.176 1.00 40.10 C ATOM 1136 C LYS A 71 -7.203 -4.004 -1.207 1.00 42.00 C ATOM 1137 O LYS A 71 -6.897 -4.848 -2.040 1.00 71.22 O ATOM 1138 CB LYS A 71 -9.156 -3.910 0.342 1.00 42.33 C ATOM 1139 CG LYS A 71 -9.935 -4.534 1.501 1.00 52.24 C ATOM 1140 CD LYS A 71 -11.329 -3.900 1.665 1.00 61.04 C ATOM 1141 CE LYS A 71 -12.191 -4.012 0.395 1.00 5.03 C ATOM 1142 NZ LYS A 71 -13.483 -3.289 0.519 1.00 21.02 N ATOM 0 H LYS A 71 -7.338 -3.417 2.009 1.00 54.44 H new ATOM 0 HA LYS A 71 -7.678 -5.502 0.258 1.00 40.10 H new ATOM 0 HB2 LYS A 71 -9.134 -2.829 0.481 1.00 42.33 H new ATOM 0 HB3 LYS A 71 -9.698 -4.102 -0.584 1.00 42.33 H new ATOM 0 HG2 LYS A 71 -10.041 -5.605 1.331 1.00 52.24 H new ATOM 0 HG3 LYS A 71 -9.370 -4.412 2.425 1.00 52.24 H new ATOM 0 HD2 LYS A 71 -11.847 -4.383 2.493 1.00 61.04 H new ATOM 0 HD3 LYS A 71 -11.216 -2.849 1.930 1.00 61.04 H new ATOM 0 HE2 LYS A 71 -11.635 -3.613 -0.454 1.00 5.03 H new ATOM 0 HE3 LYS A 71 -12.386 -5.063 0.183 1.00 5.03 H new ATOM 0 HZ1 LYS A 71 -14.026 -3.395 -0.362 1.00 21.02 H new ATOM 0 HZ2 LYS A 71 -14.028 -3.685 1.311 1.00 21.02 H new ATOM 0 HZ3 LYS A 71 -13.301 -2.280 0.694 1.00 21.02 H new ATOM 1156 N ASP A 72 -7.068 -2.687 -1.372 1.00 13.54 N ATOM 1157 CA ASP A 72 -6.715 -2.024 -2.635 1.00 45.15 C ATOM 1158 C ASP A 72 -6.091 -0.672 -2.302 1.00 45.41 C ATOM 1159 O ASP A 72 -5.812 -0.398 -1.130 1.00 72.24 O ATOM 1160 CB ASP A 72 -7.971 -1.861 -3.532 1.00 72.24 C ATOM 1161 CG ASP A 72 -9.085 -1.037 -2.888 1.00 23.52 C ATOM 1162 OD1 ASP A 72 -9.776 -1.551 -1.989 1.00 54.44 O ATOM 1163 OD2 ASP A 72 -9.285 0.121 -3.282 1.00 65.22 O ATOM 0 H ASP A 72 -7.205 -2.028 -0.606 1.00 13.54 H new ATOM 0 HA ASP A 72 -5.999 -2.627 -3.193 1.00 45.15 H new ATOM 0 HB2 ASP A 72 -7.678 -1.389 -4.470 1.00 72.24 H new ATOM 0 HB3 ASP A 72 -8.359 -2.849 -3.781 1.00 72.24 H new ATOM 1168 N LEU A 73 -5.855 0.178 -3.319 1.00 53.23 N ATOM 1169 CA LEU A 73 -5.223 1.482 -3.081 1.00 74.13 C ATOM 1170 C LEU A 73 -6.179 2.434 -2.351 1.00 34.44 C ATOM 1171 O LEU A 73 -5.715 3.212 -1.556 1.00 51.45 O ATOM 1172 CB LEU A 73 -4.684 2.157 -4.364 1.00 4.34 C ATOM 1173 CG LEU A 73 -3.965 3.523 -4.126 1.00 44.32 C ATOM 1174 CD1 LEU A 73 -2.727 3.330 -3.218 1.00 61.50 C ATOM 1175 CD2 LEU A 73 -3.600 4.215 -5.454 1.00 2.42 C ATOM 0 H LEU A 73 -6.088 -0.012 -4.294 1.00 53.23 H new ATOM 0 HA LEU A 73 -4.359 1.275 -2.449 1.00 74.13 H new ATOM 0 HB2 LEU A 73 -3.988 1.475 -4.853 1.00 4.34 H new ATOM 0 HB3 LEU A 73 -5.514 2.313 -5.053 1.00 4.34 H new ATOM 0 HG LEU A 73 -4.660 4.186 -3.611 1.00 44.32 H new ATOM 0 HD11 LEU A 73 -2.237 4.291 -3.062 1.00 61.50 H new ATOM 0 HD12 LEU A 73 -3.041 2.922 -2.257 1.00 61.50 H new ATOM 0 HD13 LEU A 73 -2.030 2.641 -3.695 1.00 61.50 H new ATOM 0 HD21 LEU A 73 -3.102 5.162 -5.246 1.00 2.42 H new ATOM 0 HD22 LEU A 73 -2.933 3.572 -6.028 1.00 2.42 H new ATOM 0 HD23 LEU A 73 -4.507 4.401 -6.029 1.00 2.42 H new ATOM 1187 N ASN A 74 -7.504 2.360 -2.604 1.00 2.15 N ATOM 1188 CA ASN A 74 -8.487 3.240 -1.904 1.00 43.44 C ATOM 1189 C ASN A 74 -8.550 2.892 -0.403 1.00 22.24 C ATOM 1190 O ASN A 74 -8.814 3.762 0.436 1.00 2.45 O ATOM 1191 CB ASN A 74 -9.910 3.168 -2.532 1.00 10.14 C ATOM 1192 CG ASN A 74 -10.025 3.783 -3.937 1.00 21.23 C ATOM 1193 OD1 ASN A 74 -9.011 3.623 -4.773 1.00 0.10 O flip ATOM 1194 ND2 ASN A 74 -11.046 4.390 -4.283 1.00 60.34 N flip ATOM 0 H ASN A 74 -7.920 1.714 -3.275 1.00 2.15 H new ATOM 0 HA ASN A 74 -8.134 4.264 -2.025 1.00 43.44 H new ATOM 0 HB2 ASN A 74 -10.218 2.124 -2.581 1.00 10.14 H new ATOM 0 HB3 ASN A 74 -10.611 3.676 -1.869 1.00 10.14 H new ATOM 0 HD21 ASN A 74 -11.818 4.504 -3.627 1.00 60.34 H new ATOM 0 HD22 ASN A 74 -11.115 4.776 -5.225 1.00 60.34 H new ATOM 1201 N ALA A 75 -8.292 1.612 -0.082 1.00 11.23 N ATOM 1202 CA ALA A 75 -8.159 1.155 1.309 1.00 50.21 C ATOM 1203 C ALA A 75 -6.857 1.708 1.934 1.00 61.43 C ATOM 1204 O ALA A 75 -6.885 2.356 2.986 1.00 24.52 O ATOM 1205 CB ALA A 75 -8.200 -0.379 1.370 1.00 15.02 C ATOM 0 H ALA A 75 -8.171 0.872 -0.774 1.00 11.23 H new ATOM 0 HA ALA A 75 -8.998 1.537 1.890 1.00 50.21 H new ATOM 0 HB1 ALA A 75 -8.101 -0.705 2.405 1.00 15.02 H new ATOM 0 HB2 ALA A 75 -9.149 -0.734 0.967 1.00 15.02 H new ATOM 0 HB3 ALA A 75 -7.380 -0.789 0.780 1.00 15.02 H new ATOM 1211 N ILE A 76 -5.732 1.475 1.231 1.00 20.45 N ATOM 1212 CA ILE A 76 -4.375 1.889 1.662 1.00 51.13 C ATOM 1213 C ILE A 76 -4.247 3.409 1.739 1.00 41.34 C ATOM 1214 O ILE A 76 -3.587 3.910 2.631 1.00 73.45 O ATOM 1215 CB ILE A 76 -3.264 1.278 0.712 1.00 12.34 C ATOM 1216 CG1 ILE A 76 -3.223 -0.275 0.868 1.00 22.42 C ATOM 1217 CG2 ILE A 76 -1.857 1.892 0.966 1.00 2.20 C ATOM 1218 CD1 ILE A 76 -2.219 -0.997 -0.014 1.00 2.24 C ATOM 0 H ILE A 76 -5.736 0.988 0.335 1.00 20.45 H new ATOM 0 HA ILE A 76 -4.219 1.494 2.666 1.00 51.13 H new ATOM 0 HB ILE A 76 -3.536 1.533 -0.312 1.00 12.34 H new ATOM 0 HG12 ILE A 76 -3.002 -0.512 1.909 1.00 22.42 H new ATOM 0 HG13 ILE A 76 -4.216 -0.670 0.655 1.00 22.42 H new ATOM 0 HG21 ILE A 76 -1.134 1.438 0.288 1.00 2.20 H new ATOM 0 HG22 ILE A 76 -1.892 2.967 0.791 1.00 2.20 H new ATOM 0 HG23 ILE A 76 -1.558 1.702 1.997 1.00 2.20 H new ATOM 0 HD11 ILE A 76 -2.274 -2.069 0.174 1.00 2.24 H new ATOM 0 HD12 ILE A 76 -2.447 -0.801 -1.062 1.00 2.24 H new ATOM 0 HD13 ILE A 76 -1.214 -0.640 0.211 1.00 2.24 H new ATOM 1230 N SER A 77 -4.940 4.125 0.848 1.00 33.12 N ATOM 1231 CA SER A 77 -4.845 5.592 0.744 1.00 23.25 C ATOM 1232 C SER A 77 -5.484 6.236 1.963 1.00 73.40 C ATOM 1233 O SER A 77 -4.899 7.119 2.580 1.00 25.15 O ATOM 1234 CB SER A 77 -5.513 6.093 -0.553 1.00 53.11 C ATOM 1235 OG SER A 77 -6.859 5.669 -0.640 1.00 33.14 O ATOM 0 H SER A 77 -5.584 3.707 0.176 1.00 33.12 H new ATOM 0 HA SER A 77 -3.793 5.875 0.707 1.00 23.25 H new ATOM 0 HB2 SER A 77 -5.470 7.182 -0.588 1.00 53.11 H new ATOM 0 HB3 SER A 77 -4.958 5.724 -1.415 1.00 53.11 H new ATOM 0 HG SER A 77 -7.342 6.240 -1.273 1.00 33.14 H new ATOM 1241 N ARG A 78 -6.675 5.741 2.316 1.00 14.44 N ATOM 1242 CA ARG A 78 -7.406 6.200 3.502 1.00 15.02 C ATOM 1243 C ARG A 78 -6.678 5.824 4.791 1.00 14.35 C ATOM 1244 O ARG A 78 -6.756 6.556 5.779 1.00 75.32 O ATOM 1245 CB ARG A 78 -8.845 5.645 3.498 1.00 31.54 C ATOM 1246 CG ARG A 78 -9.795 6.383 2.539 1.00 45.25 C ATOM 1247 CD ARG A 78 -9.956 7.866 2.924 1.00 3.10 C ATOM 1248 NE ARG A 78 -10.907 8.576 2.062 1.00 24.13 N ATOM 1249 CZ ARG A 78 -11.014 9.910 1.960 1.00 64.32 C ATOM 1250 NH1 ARG A 78 -10.220 10.722 2.647 1.00 11.50 N ATOM 1251 NH2 ARG A 78 -11.935 10.420 1.160 1.00 71.34 N ATOM 0 H ARG A 78 -7.158 5.013 1.790 1.00 14.44 H new ATOM 0 HA ARG A 78 -7.456 7.288 3.463 1.00 15.02 H new ATOM 0 HB2 ARG A 78 -8.816 4.590 3.225 1.00 31.54 H new ATOM 0 HB3 ARG A 78 -9.249 5.702 4.509 1.00 31.54 H new ATOM 0 HG2 ARG A 78 -9.412 6.311 1.521 1.00 45.25 H new ATOM 0 HG3 ARG A 78 -10.771 5.897 2.548 1.00 45.25 H new ATOM 0 HD2 ARG A 78 -10.290 7.934 3.959 1.00 3.10 H new ATOM 0 HD3 ARG A 78 -8.985 8.358 2.869 1.00 3.10 H new ATOM 0 HE ARG A 78 -11.538 8.010 1.494 1.00 24.13 H new ATOM 0 HH11 ARG A 78 -9.510 10.335 3.269 1.00 11.50 H new ATOM 0 HH12 ARG A 78 -10.320 11.733 2.553 1.00 11.50 H new ATOM 0 HH21 ARG A 78 -12.551 9.802 0.632 1.00 71.34 H new ATOM 0 HH22 ARG A 78 -12.030 11.432 1.071 1.00 71.34 H new ATOM 1265 N THR A 79 -5.985 4.684 4.764 1.00 53.43 N ATOM 1266 CA THR A 79 -5.195 4.209 5.903 1.00 52.35 C ATOM 1267 C THR A 79 -3.930 5.060 6.090 1.00 30.22 C ATOM 1268 O THR A 79 -3.635 5.516 7.191 1.00 63.14 O ATOM 1269 CB THR A 79 -4.807 2.710 5.725 1.00 45.43 C ATOM 1270 OG1 THR A 79 -6.000 1.927 5.619 1.00 24.33 O ATOM 1271 CG2 THR A 79 -3.955 2.181 6.891 1.00 4.14 C ATOM 0 H THR A 79 -5.955 4.065 3.954 1.00 53.43 H new ATOM 0 HA THR A 79 -5.813 4.306 6.795 1.00 52.35 H new ATOM 0 HB THR A 79 -4.207 2.630 4.819 1.00 45.43 H new ATOM 0 HG1 THR A 79 -6.376 2.024 4.719 1.00 24.33 H new ATOM 0 HG21 THR A 79 -3.712 1.133 6.718 1.00 4.14 H new ATOM 0 HG22 THR A 79 -3.034 2.760 6.961 1.00 4.14 H new ATOM 0 HG23 THR A 79 -4.514 2.275 7.822 1.00 4.14 H new ATOM 1279 N VAL A 80 -3.233 5.313 4.991 1.00 40.25 N ATOM 1280 CA VAL A 80 -1.907 5.938 5.015 1.00 41.41 C ATOM 1281 C VAL A 80 -2.037 7.443 5.299 1.00 3.15 C ATOM 1282 O VAL A 80 -1.152 8.042 5.918 1.00 54.32 O ATOM 1283 CB VAL A 80 -1.135 5.664 3.666 1.00 72.24 C ATOM 1284 CG1 VAL A 80 -1.698 6.467 2.478 1.00 72.23 C ATOM 1285 CG2 VAL A 80 0.364 5.905 3.819 1.00 5.42 C ATOM 0 H VAL A 80 -3.567 5.092 4.053 1.00 40.25 H new ATOM 0 HA VAL A 80 -1.321 5.493 5.820 1.00 41.41 H new ATOM 0 HB VAL A 80 -1.293 4.610 3.439 1.00 72.24 H new ATOM 0 HG11 VAL A 80 -1.126 6.236 1.579 1.00 72.23 H new ATOM 0 HG12 VAL A 80 -2.743 6.201 2.321 1.00 72.23 H new ATOM 0 HG13 VAL A 80 -1.623 7.533 2.692 1.00 72.23 H new ATOM 0 HG21 VAL A 80 0.863 5.707 2.871 1.00 5.42 H new ATOM 0 HG22 VAL A 80 0.538 6.941 4.111 1.00 5.42 H new ATOM 0 HG23 VAL A 80 0.763 5.240 4.585 1.00 5.42 H new ATOM 1295 N GLU A 81 -3.172 8.042 4.874 1.00 32.53 N ATOM 1296 CA GLU A 81 -3.439 9.467 5.120 1.00 64.20 C ATOM 1297 C GLU A 81 -3.922 9.665 6.560 1.00 5.43 C ATOM 1298 O GLU A 81 -3.536 10.649 7.211 1.00 41.21 O ATOM 1299 CB GLU A 81 -4.467 10.039 4.105 1.00 53.41 C ATOM 1300 CG GLU A 81 -5.903 9.518 4.288 1.00 62.25 C ATOM 1301 CD GLU A 81 -6.900 10.091 3.279 1.00 74.14 C ATOM 1302 OE1 GLU A 81 -7.073 9.500 2.194 1.00 3.12 O ATOM 1303 OE2 GLU A 81 -7.516 11.138 3.571 1.00 3.32 O ATOM 0 H GLU A 81 -3.911 7.559 4.362 1.00 32.53 H new ATOM 0 HA GLU A 81 -2.509 10.018 4.980 1.00 64.20 H new ATOM 0 HB2 GLU A 81 -4.475 11.126 4.189 1.00 53.41 H new ATOM 0 HB3 GLU A 81 -4.133 9.800 3.095 1.00 53.41 H new ATOM 0 HG2 GLU A 81 -5.899 8.431 4.204 1.00 62.25 H new ATOM 0 HG3 GLU A 81 -6.241 9.758 5.296 1.00 62.25 H new ATOM 1310 N GLN A 82 -4.737 8.700 7.063 1.00 73.13 N ATOM 1311 CA GLN A 82 -5.323 8.801 8.411 1.00 14.01 C ATOM 1312 C GLN A 82 -4.212 8.730 9.449 1.00 71.05 C ATOM 1313 O GLN A 82 -4.193 9.527 10.350 1.00 4.22 O ATOM 1314 CB GLN A 82 -6.437 7.735 8.711 1.00 24.44 C ATOM 1315 CG GLN A 82 -5.943 6.324 9.130 1.00 24.33 C ATOM 1316 CD GLN A 82 -7.025 5.380 9.642 1.00 5.11 C ATOM 1317 OE1 GLN A 82 -8.179 5.450 9.225 1.00 72.20 O ATOM 1318 NE2 GLN A 82 -6.664 4.494 10.569 1.00 10.42 N ATOM 0 H GLN A 82 -4.996 7.854 6.555 1.00 73.13 H new ATOM 0 HA GLN A 82 -5.831 9.764 8.462 1.00 14.01 H new ATOM 0 HB2 GLN A 82 -7.077 8.123 9.503 1.00 24.44 H new ATOM 0 HB3 GLN A 82 -7.059 7.630 7.822 1.00 24.44 H new ATOM 0 HG2 GLN A 82 -5.454 5.859 8.274 1.00 24.33 H new ATOM 0 HG3 GLN A 82 -5.186 6.438 9.906 1.00 24.33 H new ATOM 0 HE21 GLN A 82 -5.698 4.461 10.894 1.00 10.42 H new ATOM 0 HE22 GLN A 82 -7.354 3.848 10.953 1.00 10.42 H new ATOM 1327 N LEU A 83 -3.243 7.815 9.249 1.00 22.55 N ATOM 1328 CA LEU A 83 -2.153 7.571 10.224 1.00 33.44 C ATOM 1329 C LEU A 83 -1.278 8.810 10.431 1.00 54.01 C ATOM 1330 O LEU A 83 -0.865 9.085 11.553 1.00 22.52 O ATOM 1331 CB LEU A 83 -1.286 6.377 9.783 1.00 11.25 C ATOM 1332 CG LEU A 83 -1.978 4.986 9.765 1.00 33.54 C ATOM 1333 CD1 LEU A 83 -1.032 3.932 9.178 1.00 30.11 C ATOM 1334 CD2 LEU A 83 -2.462 4.577 11.174 1.00 52.42 C ATOM 0 H LEU A 83 -3.190 7.228 8.417 1.00 22.55 H new ATOM 0 HA LEU A 83 -2.624 7.337 11.178 1.00 33.44 H new ATOM 0 HB2 LEU A 83 -0.907 6.582 8.782 1.00 11.25 H new ATOM 0 HB3 LEU A 83 -0.422 6.320 10.445 1.00 11.25 H new ATOM 0 HG LEU A 83 -2.860 5.053 9.128 1.00 33.54 H new ATOM 0 HD11 LEU A 83 -1.528 2.962 9.171 1.00 30.11 H new ATOM 0 HD12 LEU A 83 -0.765 4.211 8.159 1.00 30.11 H new ATOM 0 HD13 LEU A 83 -0.130 3.874 9.787 1.00 30.11 H new ATOM 0 HD21 LEU A 83 -2.941 3.599 11.125 1.00 52.42 H new ATOM 0 HD22 LEU A 83 -1.610 4.530 11.852 1.00 52.42 H new ATOM 0 HD23 LEU A 83 -3.177 5.313 11.541 1.00 52.42 H new ATOM 1346 N LYS A 84 -1.015 9.554 9.340 1.00 32.14 N ATOM 1347 CA LYS A 84 -0.288 10.836 9.421 1.00 33.05 C ATOM 1348 C LYS A 84 -1.125 11.858 10.217 1.00 71.05 C ATOM 1349 O LYS A 84 -0.583 12.623 11.005 1.00 4.01 O ATOM 1350 CB LYS A 84 0.060 11.377 8.010 1.00 32.03 C ATOM 1351 CG LYS A 84 0.930 10.444 7.153 1.00 1.54 C ATOM 1352 CD LYS A 84 1.332 11.044 5.775 1.00 64.34 C ATOM 1353 CE LYS A 84 0.152 11.213 4.790 1.00 12.41 C ATOM 1354 NZ LYS A 84 -0.777 12.332 5.149 1.00 54.30 N ATOM 0 H LYS A 84 -1.294 9.291 8.395 1.00 32.14 H new ATOM 0 HA LYS A 84 0.655 10.670 9.943 1.00 33.05 H new ATOM 0 HB2 LYS A 84 -0.868 11.577 7.475 1.00 32.03 H new ATOM 0 HB3 LYS A 84 0.576 12.331 8.120 1.00 32.03 H new ATOM 0 HG2 LYS A 84 1.835 10.196 7.708 1.00 1.54 H new ATOM 0 HG3 LYS A 84 0.391 9.511 6.988 1.00 1.54 H new ATOM 0 HD2 LYS A 84 1.798 12.016 5.936 1.00 64.34 H new ATOM 0 HD3 LYS A 84 2.084 10.402 5.317 1.00 64.34 H new ATOM 0 HE2 LYS A 84 0.548 11.388 3.790 1.00 12.41 H new ATOM 0 HE3 LYS A 84 -0.413 10.282 4.751 1.00 12.41 H new ATOM 0 HZ1 LYS A 84 -1.015 12.874 4.294 1.00 54.30 H new ATOM 0 HZ2 LYS A 84 -1.647 11.941 5.564 1.00 54.30 H new ATOM 0 HZ3 LYS A 84 -0.315 12.959 5.839 1.00 54.30 H new ATOM 1368 N ALA A 85 -2.456 11.809 10.031 1.00 31.30 N ATOM 1369 CA ALA A 85 -3.410 12.674 10.762 1.00 50.31 C ATOM 1370 C ALA A 85 -3.523 12.273 12.252 1.00 14.04 C ATOM 1371 O ALA A 85 -3.669 13.135 13.125 1.00 72.50 O ATOM 1372 CB ALA A 85 -4.785 12.617 10.081 1.00 10.42 C ATOM 0 H ALA A 85 -2.904 11.172 9.372 1.00 31.30 H new ATOM 0 HA ALA A 85 -3.033 13.696 10.732 1.00 50.31 H new ATOM 0 HB1 ALA A 85 -5.485 13.254 10.621 1.00 10.42 H new ATOM 0 HB2 ALA A 85 -4.696 12.966 9.052 1.00 10.42 H new ATOM 0 HB3 ALA A 85 -5.151 11.590 10.086 1.00 10.42 H new ATOM 1378 N GLU A 86 -3.433 10.954 12.523 1.00 74.00 N ATOM 1379 CA GLU A 86 -3.588 10.388 13.875 1.00 54.12 C ATOM 1380 C GLU A 86 -2.328 10.661 14.706 1.00 12.33 C ATOM 1381 O GLU A 86 -2.410 10.908 15.912 1.00 74.45 O ATOM 1382 CB GLU A 86 -3.871 8.856 13.814 1.00 64.42 C ATOM 1383 CG GLU A 86 -5.140 8.443 13.040 1.00 34.14 C ATOM 1384 CD GLU A 86 -6.446 9.037 13.587 1.00 60.12 C ATOM 1385 OE1 GLU A 86 -7.035 8.447 14.515 1.00 4.35 O ATOM 1386 OE2 GLU A 86 -6.904 10.080 13.078 1.00 25.14 O ATOM 0 H GLU A 86 -3.250 10.251 11.806 1.00 74.00 H new ATOM 0 HA GLU A 86 -4.442 10.870 14.350 1.00 54.12 H new ATOM 0 HB2 GLU A 86 -3.012 8.364 13.357 1.00 64.42 H new ATOM 0 HB3 GLU A 86 -3.950 8.478 14.833 1.00 64.42 H new ATOM 0 HG2 GLU A 86 -5.028 8.744 11.998 1.00 34.14 H new ATOM 0 HG3 GLU A 86 -5.218 7.356 13.051 1.00 34.14 H new