USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=22 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 66 THR OG1 : rot 109:sc= -0.625 USER MOD Set 1.2: A 68 LYS NZ :NH3+ -175:sc= 0.587 (180deg=-0.35) USER MOD Single : A 7 LYS NZ :NH3+ -123:sc= 0.0239 (180deg=-0.605) USER MOD Single : A 9 LYS NZ :NH3+ -161:sc= 0.8 (180deg=0.588) USER MOD Single : A 13 TYR OH : rot 120:sc= -1.5 USER MOD Single : A 15 MET CE :methyl -133:sc= 0 (180deg=-1.58!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -113:sc= 0.935 (180deg=-0.778) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -172:sc= -0.388 USER MOD Single : A 41 ASN : amide:sc= -0.992 K(o=-0.99,f=-2.9!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -139:sc= -0.258 (180deg=-1.05) USER MOD Single : A 44 ASN : amide:sc= -3.88! C(o=-3.9!,f=-4.4!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 145:sc= -2.92 (180deg=-4.33!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -176:sc= -2.75 (180deg=-2.91!) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0329 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.355 K(o=-0.36,f=-1.7) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -107:sc= 0.033 (180deg=-1.8!) USER MOD Single : A 74 ASN : amide:sc= 0.404 X(o=0.4,f=0) USER MOD Single : A 77 SER OG : rot -12:sc= 0.145 USER MOD Single : A 79 THR OG1 : rot 79:sc= 1.04 USER MOD Single : A 82 GLN : amide:sc= -0.0352 X(o=-0.035,f=-0.035) USER MOD Single : A 84 LYS NZ :NH3+ 147:sc= -0.741 (180deg=-2.41!) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 -0.481 12.501 -2.717 1.00 51.43 N ATOM 40 CA GLU A 4 -1.163 12.176 -4.001 1.00 12.13 C ATOM 41 C GLU A 4 -0.223 11.562 -5.049 1.00 73.11 C ATOM 42 O GLU A 4 -0.605 10.644 -5.786 1.00 23.15 O ATOM 43 CB GLU A 4 -1.846 13.434 -4.589 1.00 3.03 C ATOM 44 CG GLU A 4 -2.909 14.062 -3.667 1.00 20.31 C ATOM 45 CD GLU A 4 -4.185 13.215 -3.493 1.00 45.22 C ATOM 46 OE1 GLU A 4 -5.130 13.378 -4.291 1.00 62.23 O ATOM 47 OE2 GLU A 4 -4.254 12.388 -2.567 1.00 40.51 O ATOM 0 HA GLU A 4 -1.913 11.422 -3.762 1.00 12.13 H new ATOM 0 HB2 GLU A 4 -1.082 14.181 -4.806 1.00 3.03 H new ATOM 0 HB3 GLU A 4 -2.313 13.171 -5.538 1.00 3.03 H new ATOM 0 HG2 GLU A 4 -2.465 14.233 -2.686 1.00 20.31 H new ATOM 0 HG3 GLU A 4 -3.187 15.037 -4.066 1.00 20.31 H new ATOM 54 N GLU A 5 1.004 12.080 -5.059 1.00 22.40 N ATOM 55 CA GLU A 5 2.095 11.665 -5.970 1.00 21.21 C ATOM 56 C GLU A 5 2.483 10.219 -5.665 1.00 34.12 C ATOM 57 O GLU A 5 2.742 9.408 -6.554 1.00 60.35 O ATOM 58 CB GLU A 5 3.367 12.557 -5.778 1.00 72.43 C ATOM 59 CG GLU A 5 3.164 14.076 -5.919 1.00 51.02 C ATOM 60 CD GLU A 5 2.306 14.724 -4.815 1.00 43.02 C ATOM 61 OE1 GLU A 5 2.479 14.365 -3.629 1.00 62.02 O ATOM 62 OE2 GLU A 5 1.447 15.576 -5.126 1.00 14.24 O ATOM 0 H GLU A 5 1.285 12.822 -4.419 1.00 22.40 H new ATOM 0 HA GLU A 5 1.735 11.770 -6.993 1.00 21.21 H new ATOM 0 HB2 GLU A 5 3.778 12.357 -4.788 1.00 72.43 H new ATOM 0 HB3 GLU A 5 4.117 12.244 -6.504 1.00 72.43 H new ATOM 0 HG2 GLU A 5 4.141 14.559 -5.929 1.00 51.02 H new ATOM 0 HG3 GLU A 5 2.699 14.277 -6.884 1.00 51.02 H new ATOM 69 N VAL A 6 2.492 9.941 -4.359 1.00 2.34 N ATOM 70 CA VAL A 6 3.032 8.724 -3.785 1.00 75.32 C ATOM 71 C VAL A 6 2.056 7.558 -3.889 1.00 51.51 C ATOM 72 O VAL A 6 2.493 6.410 -3.920 1.00 41.52 O ATOM 73 CB VAL A 6 3.424 8.946 -2.289 1.00 51.42 C ATOM 74 CG1 VAL A 6 4.209 7.746 -1.748 1.00 42.50 C ATOM 75 CG2 VAL A 6 4.199 10.272 -2.087 1.00 42.30 C ATOM 0 H VAL A 6 2.112 10.579 -3.660 1.00 2.34 H new ATOM 0 HA VAL A 6 3.922 8.471 -4.361 1.00 75.32 H new ATOM 0 HB VAL A 6 2.501 9.030 -1.715 1.00 51.42 H new ATOM 0 HG11 VAL A 6 4.471 7.923 -0.705 1.00 42.50 H new ATOM 0 HG12 VAL A 6 3.596 6.848 -1.821 1.00 42.50 H new ATOM 0 HG13 VAL A 6 5.119 7.613 -2.333 1.00 42.50 H new ATOM 0 HG21 VAL A 6 4.453 10.388 -1.033 1.00 42.30 H new ATOM 0 HG22 VAL A 6 5.113 10.253 -2.680 1.00 42.30 H new ATOM 0 HG23 VAL A 6 3.577 11.109 -2.405 1.00 42.30 H new ATOM 85 N LYS A 7 0.747 7.870 -3.947 1.00 33.35 N ATOM 86 CA LYS A 7 -0.322 6.849 -4.021 1.00 41.04 C ATOM 87 C LYS A 7 -0.026 5.821 -5.121 1.00 5.22 C ATOM 88 O LYS A 7 0.073 4.627 -4.846 1.00 40.34 O ATOM 89 CB LYS A 7 -1.697 7.515 -4.258 1.00 62.12 C ATOM 90 CG LYS A 7 -2.139 8.494 -3.147 1.00 13.14 C ATOM 91 CD LYS A 7 -3.525 9.121 -3.429 1.00 72.52 C ATOM 92 CE LYS A 7 -3.638 9.655 -4.860 1.00 62.44 C ATOM 93 NZ LYS A 7 -4.921 10.347 -5.110 1.00 1.43 N ATOM 0 H LYS A 7 0.400 8.829 -3.944 1.00 33.35 H new ATOM 0 HA LYS A 7 -0.352 6.324 -3.066 1.00 41.04 H new ATOM 0 HB2 LYS A 7 -1.667 8.052 -5.206 1.00 62.12 H new ATOM 0 HB3 LYS A 7 -2.451 6.735 -4.357 1.00 62.12 H new ATOM 0 HG2 LYS A 7 -2.169 7.967 -2.193 1.00 13.14 H new ATOM 0 HG3 LYS A 7 -1.398 9.287 -3.050 1.00 13.14 H new ATOM 0 HD2 LYS A 7 -4.301 8.375 -3.259 1.00 72.52 H new ATOM 0 HD3 LYS A 7 -3.705 9.933 -2.725 1.00 72.52 H new ATOM 0 HE2 LYS A 7 -2.815 10.343 -5.053 1.00 62.44 H new ATOM 0 HE3 LYS A 7 -3.533 8.828 -5.562 1.00 62.44 H new ATOM 0 HZ1 LYS A 7 -5.409 9.896 -5.910 1.00 1.43 H new ATOM 0 HZ2 LYS A 7 -5.519 10.286 -4.261 1.00 1.43 H new ATOM 0 HZ3 LYS A 7 -4.739 11.346 -5.334 1.00 1.43 H new ATOM 107 N GLU A 8 0.159 6.302 -6.358 1.00 62.14 N ATOM 108 CA GLU A 8 0.477 5.420 -7.479 1.00 51.12 C ATOM 109 C GLU A 8 1.842 4.737 -7.264 1.00 45.21 C ATOM 110 O GLU A 8 1.980 3.571 -7.593 1.00 74.44 O ATOM 111 CB GLU A 8 0.449 6.163 -8.830 1.00 34.40 C ATOM 112 CG GLU A 8 1.494 7.288 -8.995 1.00 43.33 C ATOM 113 CD GLU A 8 1.738 7.642 -10.463 1.00 10.14 C ATOM 114 OE1 GLU A 8 0.983 8.464 -11.029 1.00 24.23 O ATOM 115 OE2 GLU A 8 2.639 7.041 -11.084 1.00 13.34 O ATOM 0 H GLU A 8 0.094 7.290 -6.602 1.00 62.14 H new ATOM 0 HA GLU A 8 -0.298 4.654 -7.515 1.00 51.12 H new ATOM 0 HB2 GLU A 8 0.596 5.435 -9.628 1.00 34.40 H new ATOM 0 HB3 GLU A 8 -0.544 6.591 -8.968 1.00 34.40 H new ATOM 0 HG2 GLU A 8 1.156 8.176 -8.461 1.00 43.33 H new ATOM 0 HG3 GLU A 8 2.433 6.978 -8.537 1.00 43.33 H new ATOM 122 N LYS A 9 2.826 5.456 -6.652 1.00 74.04 N ATOM 123 CA LYS A 9 4.178 4.897 -6.387 1.00 71.05 C ATOM 124 C LYS A 9 4.137 3.724 -5.392 1.00 52.42 C ATOM 125 O LYS A 9 5.066 2.919 -5.362 1.00 61.04 O ATOM 126 CB LYS A 9 5.164 5.958 -5.853 1.00 51.15 C ATOM 127 CG LYS A 9 5.419 7.172 -6.767 1.00 72.53 C ATOM 128 CD LYS A 9 6.590 8.048 -6.247 1.00 74.44 C ATOM 129 CE LYS A 9 6.438 8.447 -4.762 1.00 72.30 C ATOM 130 NZ LYS A 9 7.611 9.180 -4.248 1.00 32.32 N ATOM 0 H LYS A 9 2.706 6.418 -6.336 1.00 74.04 H new ATOM 0 HA LYS A 9 4.531 4.540 -7.354 1.00 71.05 H new ATOM 0 HB2 LYS A 9 4.790 6.322 -4.896 1.00 51.15 H new ATOM 0 HB3 LYS A 9 6.119 5.470 -5.657 1.00 51.15 H new ATOM 0 HG2 LYS A 9 5.644 6.827 -7.776 1.00 72.53 H new ATOM 0 HG3 LYS A 9 4.514 7.776 -6.831 1.00 72.53 H new ATOM 0 HD2 LYS A 9 7.527 7.506 -6.377 1.00 74.44 H new ATOM 0 HD3 LYS A 9 6.658 8.951 -6.854 1.00 74.44 H new ATOM 0 HE2 LYS A 9 5.548 9.065 -4.645 1.00 72.30 H new ATOM 0 HE3 LYS A 9 6.284 7.550 -4.163 1.00 72.30 H new ATOM 0 HZ1 LYS A 9 7.615 9.144 -3.209 1.00 32.32 H new ATOM 0 HZ2 LYS A 9 8.481 8.743 -4.613 1.00 32.32 H new ATOM 0 HZ3 LYS A 9 7.565 10.171 -4.560 1.00 32.32 H new ATOM 144 N ILE A 10 3.080 3.657 -4.565 1.00 74.51 N ATOM 145 CA ILE A 10 2.845 2.519 -3.658 1.00 11.22 C ATOM 146 C ILE A 10 2.613 1.258 -4.492 1.00 74.23 C ATOM 147 O ILE A 10 3.226 0.216 -4.259 1.00 41.23 O ATOM 148 CB ILE A 10 1.613 2.790 -2.716 1.00 4.31 C ATOM 149 CG1 ILE A 10 1.844 4.071 -1.848 1.00 3.33 C ATOM 150 CG2 ILE A 10 1.276 1.576 -1.821 1.00 34.15 C ATOM 151 CD1 ILE A 10 3.137 4.076 -1.034 1.00 55.33 C ATOM 0 H ILE A 10 2.368 4.385 -4.506 1.00 74.51 H new ATOM 0 HA ILE A 10 3.720 2.384 -3.023 1.00 11.22 H new ATOM 0 HB ILE A 10 0.752 2.958 -3.363 1.00 4.31 H new ATOM 0 HG12 ILE A 10 1.842 4.941 -2.504 1.00 3.33 H new ATOM 0 HG13 ILE A 10 1.002 4.185 -1.165 1.00 3.33 H new ATOM 0 HG21 ILE A 10 0.419 1.815 -1.191 1.00 34.15 H new ATOM 0 HG22 ILE A 10 1.037 0.717 -2.448 1.00 34.15 H new ATOM 0 HG23 ILE A 10 2.134 1.338 -1.192 1.00 34.15 H new ATOM 0 HD11 ILE A 10 3.206 5.004 -0.467 1.00 55.33 H new ATOM 0 HD12 ILE A 10 3.138 3.230 -0.347 1.00 55.33 H new ATOM 0 HD13 ILE A 10 3.991 3.998 -1.707 1.00 55.33 H new ATOM 163 N ARG A 11 1.759 1.405 -5.511 1.00 41.24 N ATOM 164 CA ARG A 11 1.429 0.325 -6.455 1.00 22.34 C ATOM 165 C ARG A 11 2.602 0.031 -7.393 1.00 24.13 C ATOM 166 O ARG A 11 2.884 -1.129 -7.661 1.00 13.14 O ATOM 167 CB ARG A 11 0.142 0.670 -7.249 1.00 43.51 C ATOM 168 CG ARG A 11 -1.130 0.645 -6.372 1.00 42.41 C ATOM 169 CD ARG A 11 -1.352 -0.748 -5.731 1.00 24.43 C ATOM 170 NE ARG A 11 -2.421 -0.765 -4.722 1.00 73.44 N ATOM 171 CZ ARG A 11 -2.225 -0.769 -3.394 1.00 64.11 C ATOM 172 NH1 ARG A 11 -1.005 -0.717 -2.880 1.00 52.12 N ATOM 173 NH2 ARG A 11 -3.260 -0.910 -2.594 1.00 4.24 N ATOM 0 H ARG A 11 1.273 2.280 -5.707 1.00 41.24 H new ATOM 0 HA ARG A 11 1.238 -0.582 -5.881 1.00 22.34 H new ATOM 0 HB2 ARG A 11 0.250 1.659 -7.695 1.00 43.51 H new ATOM 0 HB3 ARG A 11 0.026 -0.039 -8.069 1.00 43.51 H new ATOM 0 HG2 ARG A 11 -1.047 1.398 -5.588 1.00 42.41 H new ATOM 0 HG3 ARG A 11 -1.996 0.910 -6.978 1.00 42.41 H new ATOM 0 HD2 ARG A 11 -1.592 -1.466 -6.515 1.00 24.43 H new ATOM 0 HD3 ARG A 11 -0.422 -1.079 -5.269 1.00 24.43 H new ATOM 0 HE ARG A 11 -3.385 -0.774 -5.056 1.00 73.44 H new ATOM 0 HH11 ARG A 11 -0.193 -0.673 -3.496 1.00 52.12 H new ATOM 0 HH12 ARG A 11 -0.877 -0.721 -1.868 1.00 52.12 H new ATOM 0 HH21 ARG A 11 -4.196 -1.014 -2.985 1.00 4.24 H new ATOM 0 HH22 ARG A 11 -3.126 -0.915 -1.583 1.00 4.24 H new ATOM 187 N ARG A 12 3.299 1.091 -7.837 1.00 65.41 N ATOM 188 CA ARG A 12 4.493 0.985 -8.707 1.00 64.52 C ATOM 189 C ARG A 12 5.595 0.191 -7.987 1.00 43.22 C ATOM 190 O ARG A 12 6.248 -0.647 -8.587 1.00 34.02 O ATOM 191 CB ARG A 12 5.012 2.406 -9.115 1.00 64.10 C ATOM 192 CG ARG A 12 4.414 3.004 -10.421 1.00 41.24 C ATOM 193 CD ARG A 12 2.881 2.899 -10.532 1.00 74.23 C ATOM 194 NE ARG A 12 2.310 3.935 -11.415 1.00 23.20 N ATOM 195 CZ ARG A 12 1.171 3.831 -12.101 1.00 42.05 C ATOM 196 NH1 ARG A 12 0.426 2.733 -12.045 1.00 24.22 N ATOM 197 NH2 ARG A 12 0.763 4.862 -12.820 1.00 14.41 N ATOM 0 H ARG A 12 3.052 2.053 -7.604 1.00 65.41 H new ATOM 0 HA ARG A 12 4.216 0.456 -9.619 1.00 64.52 H new ATOM 0 HB2 ARG A 12 4.805 3.095 -8.296 1.00 64.10 H new ATOM 0 HB3 ARG A 12 6.095 2.357 -9.225 1.00 64.10 H new ATOM 0 HG2 ARG A 12 4.699 4.054 -10.488 1.00 41.24 H new ATOM 0 HG3 ARG A 12 4.862 2.497 -11.276 1.00 41.24 H new ATOM 0 HD2 ARG A 12 2.613 1.913 -10.912 1.00 74.23 H new ATOM 0 HD3 ARG A 12 2.440 2.988 -9.539 1.00 74.23 H new ATOM 0 HE ARG A 12 2.832 4.806 -11.509 1.00 23.20 H new ATOM 0 HH11 ARG A 12 0.721 1.945 -11.468 1.00 24.22 H new ATOM 0 HH12 ARG A 12 -0.441 2.677 -12.579 1.00 24.22 H new ATOM 0 HH21 ARG A 12 1.317 5.718 -12.844 1.00 14.41 H new ATOM 0 HH22 ARG A 12 -0.106 4.801 -13.351 1.00 14.41 H new ATOM 211 N TYR A 13 5.749 0.451 -6.680 1.00 1.33 N ATOM 212 CA TYR A 13 6.730 -0.248 -5.821 1.00 12.10 C ATOM 213 C TYR A 13 6.424 -1.755 -5.747 1.00 45.14 C ATOM 214 O TYR A 13 7.325 -2.583 -5.863 1.00 72.31 O ATOM 215 CB TYR A 13 6.741 0.382 -4.406 1.00 45.52 C ATOM 216 CG TYR A 13 7.636 -0.352 -3.383 1.00 52.35 C ATOM 217 CD1 TYR A 13 9.018 -0.472 -3.590 1.00 53.15 C ATOM 218 CD2 TYR A 13 7.103 -0.919 -2.223 1.00 10.20 C ATOM 219 CE1 TYR A 13 9.823 -1.123 -2.679 1.00 61.53 C ATOM 220 CE2 TYR A 13 7.905 -1.568 -1.314 1.00 2.21 C ATOM 221 CZ TYR A 13 9.262 -1.667 -1.545 1.00 10.34 C ATOM 222 OH TYR A 13 10.062 -2.320 -0.637 1.00 12.32 O ATOM 0 H TYR A 13 5.199 1.152 -6.184 1.00 1.33 H new ATOM 0 HA TYR A 13 7.720 -0.133 -6.262 1.00 12.10 H new ATOM 0 HB2 TYR A 13 7.075 1.416 -4.486 1.00 45.52 H new ATOM 0 HB3 TYR A 13 5.720 0.406 -4.025 1.00 45.52 H new ATOM 0 HD1 TYR A 13 9.460 -0.047 -4.479 1.00 53.15 H new ATOM 0 HD2 TYR A 13 6.042 -0.846 -2.037 1.00 10.20 H new ATOM 0 HE1 TYR A 13 10.886 -1.206 -2.854 1.00 61.53 H new ATOM 0 HE2 TYR A 13 7.474 -1.999 -0.422 1.00 2.21 H new ATOM 0 HH TYR A 13 10.004 -1.872 0.232 1.00 12.32 H new ATOM 232 N ILE A 14 5.137 -2.078 -5.562 1.00 14.12 N ATOM 233 CA ILE A 14 4.659 -3.462 -5.488 1.00 62.21 C ATOM 234 C ILE A 14 4.961 -4.203 -6.797 1.00 74.22 C ATOM 235 O ILE A 14 5.599 -5.239 -6.791 1.00 62.33 O ATOM 236 CB ILE A 14 3.123 -3.503 -5.152 1.00 74.32 C ATOM 237 CG1 ILE A 14 2.867 -2.889 -3.740 1.00 24.33 C ATOM 238 CG2 ILE A 14 2.553 -4.943 -5.243 1.00 33.34 C ATOM 239 CD1 ILE A 14 1.413 -2.799 -3.333 1.00 4.22 C ATOM 0 H ILE A 14 4.397 -1.383 -5.459 1.00 14.12 H new ATOM 0 HA ILE A 14 5.189 -3.970 -4.682 1.00 62.21 H new ATOM 0 HB ILE A 14 2.599 -2.904 -5.897 1.00 74.32 H new ATOM 0 HG12 ILE A 14 3.399 -3.486 -2.999 1.00 24.33 H new ATOM 0 HG13 ILE A 14 3.298 -1.888 -3.712 1.00 24.33 H new ATOM 0 HG21 ILE A 14 1.490 -4.929 -5.004 1.00 33.34 H new ATOM 0 HG22 ILE A 14 2.693 -5.326 -6.254 1.00 33.34 H new ATOM 0 HG23 ILE A 14 3.076 -5.587 -4.535 1.00 33.34 H new ATOM 0 HD11 ILE A 14 1.340 -2.360 -2.338 1.00 4.22 H new ATOM 0 HD12 ILE A 14 0.874 -2.175 -4.046 1.00 4.22 H new ATOM 0 HD13 ILE A 14 0.976 -3.797 -3.322 1.00 4.22 H new ATOM 251 N MET A 15 4.559 -3.620 -7.920 1.00 23.05 N ATOM 252 CA MET A 15 4.637 -4.295 -9.228 1.00 52.42 C ATOM 253 C MET A 15 6.095 -4.405 -9.724 1.00 53.13 C ATOM 254 O MET A 15 6.532 -5.484 -10.119 1.00 63.00 O ATOM 255 CB MET A 15 3.737 -3.569 -10.248 1.00 70.04 C ATOM 256 CG MET A 15 2.301 -3.380 -9.752 1.00 12.51 C ATOM 257 SD MET A 15 1.521 -4.904 -9.182 1.00 12.44 S ATOM 258 CE MET A 15 1.169 -5.707 -10.733 1.00 52.24 C ATOM 0 H MET A 15 4.173 -2.677 -7.960 1.00 23.05 H new ATOM 0 HA MET A 15 4.271 -5.315 -9.115 1.00 52.42 H new ATOM 0 HB2 MET A 15 4.168 -2.594 -10.475 1.00 70.04 H new ATOM 0 HB3 MET A 15 3.722 -4.136 -11.179 1.00 70.04 H new ATOM 0 HG2 MET A 15 2.300 -2.656 -8.937 1.00 12.51 H new ATOM 0 HG3 MET A 15 1.701 -2.955 -10.557 1.00 12.51 H new ATOM 0 HE1 MET A 15 0.144 -6.077 -10.727 1.00 52.24 H new ATOM 0 HE2 MET A 15 1.293 -4.994 -11.548 1.00 52.24 H new ATOM 0 HE3 MET A 15 1.855 -6.542 -10.874 1.00 52.24 H new ATOM 268 N GLU A 16 6.846 -3.289 -9.666 1.00 55.32 N ATOM 269 CA GLU A 16 8.249 -3.230 -10.147 1.00 53.40 C ATOM 270 C GLU A 16 9.187 -4.068 -9.254 1.00 52.25 C ATOM 271 O GLU A 16 9.962 -4.881 -9.758 1.00 62.24 O ATOM 272 CB GLU A 16 8.759 -1.761 -10.224 1.00 70.30 C ATOM 273 CG GLU A 16 7.982 -0.873 -11.214 1.00 44.34 C ATOM 274 CD GLU A 16 8.397 0.611 -11.147 1.00 32.33 C ATOM 275 OE1 GLU A 16 8.073 1.285 -10.146 1.00 43.21 O ATOM 276 OE2 GLU A 16 9.085 1.103 -12.066 1.00 55.15 O ATOM 0 H GLU A 16 6.505 -2.405 -9.288 1.00 55.32 H new ATOM 0 HA GLU A 16 8.260 -3.654 -11.151 1.00 53.40 H new ATOM 0 HB2 GLU A 16 8.700 -1.316 -9.231 1.00 70.30 H new ATOM 0 HB3 GLU A 16 9.811 -1.768 -10.509 1.00 70.30 H new ATOM 0 HG2 GLU A 16 8.140 -1.243 -12.227 1.00 44.34 H new ATOM 0 HG3 GLU A 16 6.915 -0.956 -11.007 1.00 44.34 H new ATOM 283 N ASP A 17 9.131 -3.857 -7.928 1.00 11.32 N ATOM 284 CA ASP A 17 10.034 -4.551 -6.980 1.00 73.23 C ATOM 285 C ASP A 17 9.481 -5.929 -6.613 1.00 14.01 C ATOM 286 O ASP A 17 10.093 -6.948 -6.934 1.00 34.35 O ATOM 287 CB ASP A 17 10.281 -3.707 -5.702 1.00 23.22 C ATOM 288 CG ASP A 17 11.030 -2.398 -5.993 1.00 1.35 C ATOM 289 OD1 ASP A 17 10.430 -1.474 -6.581 1.00 31.51 O ATOM 290 OD2 ASP A 17 12.234 -2.299 -5.669 1.00 63.01 O ATOM 0 H ASP A 17 8.474 -3.215 -7.485 1.00 11.32 H new ATOM 0 HA ASP A 17 10.993 -4.683 -7.481 1.00 73.23 H new ATOM 0 HB2 ASP A 17 9.324 -3.477 -5.233 1.00 23.22 H new ATOM 0 HB3 ASP A 17 10.853 -4.297 -4.986 1.00 23.22 H new ATOM 295 N LEU A 18 8.292 -5.948 -5.989 1.00 30.22 N ATOM 296 CA LEU A 18 7.726 -7.166 -5.351 1.00 72.25 C ATOM 297 C LEU A 18 7.283 -8.237 -6.378 1.00 60.13 C ATOM 298 O LEU A 18 7.455 -9.440 -6.127 1.00 33.22 O ATOM 299 CB LEU A 18 6.570 -6.785 -4.378 1.00 40.40 C ATOM 300 CG LEU A 18 6.984 -6.092 -3.028 1.00 35.32 C ATOM 301 CD1 LEU A 18 8.020 -6.949 -2.264 1.00 73.41 C ATOM 302 CD2 LEU A 18 7.484 -4.632 -3.210 1.00 10.00 C ATOM 0 H LEU A 18 7.692 -5.127 -5.908 1.00 30.22 H new ATOM 0 HA LEU A 18 8.527 -7.626 -4.772 1.00 72.25 H new ATOM 0 HB2 LEU A 18 5.886 -6.121 -4.906 1.00 40.40 H new ATOM 0 HB3 LEU A 18 6.014 -7.691 -4.139 1.00 40.40 H new ATOM 0 HG LEU A 18 6.076 -6.023 -2.428 1.00 35.32 H new ATOM 0 HD11 LEU A 18 8.291 -6.449 -1.334 1.00 73.41 H new ATOM 0 HD12 LEU A 18 7.590 -7.925 -2.039 1.00 73.41 H new ATOM 0 HD13 LEU A 18 8.910 -7.078 -2.879 1.00 73.41 H new ATOM 0 HD21 LEU A 18 7.752 -4.216 -2.239 1.00 10.00 H new ATOM 0 HD22 LEU A 18 8.358 -4.625 -3.862 1.00 10.00 H new ATOM 0 HD23 LEU A 18 6.693 -4.030 -3.657 1.00 10.00 H new ATOM 314 N ILE A 19 6.716 -7.810 -7.518 1.00 45.54 N ATOM 315 CA ILE A 19 6.409 -8.728 -8.637 1.00 21.53 C ATOM 316 C ILE A 19 7.679 -8.934 -9.479 1.00 22.35 C ATOM 317 O ILE A 19 8.100 -10.074 -9.736 1.00 42.35 O ATOM 318 CB ILE A 19 5.192 -8.238 -9.541 1.00 53.10 C ATOM 319 CG1 ILE A 19 3.807 -8.418 -8.819 1.00 63.33 C ATOM 320 CG2 ILE A 19 5.170 -8.960 -10.913 1.00 42.35 C ATOM 321 CD1 ILE A 19 3.599 -7.607 -7.563 1.00 11.31 C ATOM 0 H ILE A 19 6.460 -6.838 -7.693 1.00 45.54 H new ATOM 0 HA ILE A 19 6.087 -9.677 -8.208 1.00 21.53 H new ATOM 0 HB ILE A 19 5.349 -7.173 -9.711 1.00 53.10 H new ATOM 0 HG12 ILE A 19 3.017 -8.164 -9.526 1.00 63.33 H new ATOM 0 HG13 ILE A 19 3.685 -9.472 -8.570 1.00 63.33 H new ATOM 0 HG21 ILE A 19 4.326 -8.599 -11.501 1.00 42.35 H new ATOM 0 HG22 ILE A 19 6.098 -8.755 -11.447 1.00 42.35 H new ATOM 0 HG23 ILE A 19 5.071 -10.034 -10.757 1.00 42.35 H new ATOM 0 HD11 ILE A 19 2.610 -7.815 -7.156 1.00 11.31 H new ATOM 0 HD12 ILE A 19 4.358 -7.874 -6.828 1.00 11.31 H new ATOM 0 HD13 ILE A 19 3.679 -6.546 -7.798 1.00 11.31 H new ATOM 333 N GLY A 20 8.311 -7.820 -9.865 1.00 45.43 N ATOM 334 CA GLY A 20 9.519 -7.837 -10.706 1.00 63.11 C ATOM 335 C GLY A 20 9.320 -7.072 -12.011 1.00 21.12 C ATOM 336 O GLY A 20 8.305 -6.379 -12.164 1.00 43.21 O ATOM 0 H GLY A 20 8.003 -6.883 -9.606 1.00 45.43 H new ATOM 0 HA2 GLY A 20 10.351 -7.400 -10.154 1.00 63.11 H new ATOM 0 HA3 GLY A 20 9.791 -8.869 -10.929 1.00 63.11 H new ATOM 340 N PRO A 21 10.288 -7.175 -12.978 1.00 24.02 N ATOM 341 CA PRO A 21 10.171 -6.547 -14.323 1.00 3.13 C ATOM 342 C PRO A 21 9.016 -7.146 -15.161 1.00 34.10 C ATOM 343 O PRO A 21 8.579 -6.551 -16.149 1.00 35.03 O ATOM 344 CB PRO A 21 11.561 -6.808 -14.970 1.00 73.22 C ATOM 345 CG PRO A 21 12.119 -7.991 -14.244 1.00 34.44 C ATOM 346 CD PRO A 21 11.581 -7.898 -12.830 1.00 4.13 C ATOM 0 HA PRO A 21 9.926 -5.487 -14.264 1.00 3.13 H new ATOM 0 HB2 PRO A 21 11.466 -7.010 -16.037 1.00 73.22 H new ATOM 0 HB3 PRO A 21 12.212 -5.940 -14.866 1.00 73.22 H new ATOM 0 HG2 PRO A 21 11.811 -8.922 -14.719 1.00 34.44 H new ATOM 0 HG3 PRO A 21 13.209 -7.975 -14.250 1.00 34.44 H new ATOM 0 HD2 PRO A 21 11.437 -8.886 -12.393 1.00 4.13 H new ATOM 0 HD3 PRO A 21 12.267 -7.358 -12.178 1.00 4.13 H new ATOM 354 N SER A 22 8.512 -8.319 -14.734 1.00 53.31 N ATOM 355 CA SER A 22 7.316 -8.961 -15.317 1.00 44.45 C ATOM 356 C SER A 22 6.030 -8.460 -14.612 1.00 65.35 C ATOM 357 O SER A 22 5.065 -9.225 -14.430 1.00 21.21 O ATOM 358 CB SER A 22 7.460 -10.489 -15.179 1.00 61.31 C ATOM 359 OG SER A 22 8.604 -10.954 -15.870 1.00 25.51 O ATOM 0 H SER A 22 8.925 -8.853 -13.969 1.00 53.31 H new ATOM 0 HA SER A 22 7.234 -8.698 -16.372 1.00 44.45 H new ATOM 0 HB2 SER A 22 7.533 -10.757 -14.125 1.00 61.31 H new ATOM 0 HB3 SER A 22 6.569 -10.979 -15.572 1.00 61.31 H new ATOM 0 HG SER A 22 8.676 -11.926 -15.767 1.00 25.51 H new ATOM 365 N ALA A 23 6.033 -7.157 -14.240 1.00 3.43 N ATOM 366 CA ALA A 23 4.942 -6.497 -13.517 1.00 62.22 C ATOM 367 C ALA A 23 3.628 -6.568 -14.307 1.00 3.23 C ATOM 368 O ALA A 23 3.572 -6.161 -15.473 1.00 74.43 O ATOM 369 CB ALA A 23 5.328 -5.053 -13.212 1.00 32.02 C ATOM 0 H ALA A 23 6.813 -6.532 -14.443 1.00 3.43 H new ATOM 0 HA ALA A 23 4.777 -7.021 -12.576 1.00 62.22 H new ATOM 0 HB1 ALA A 23 4.515 -4.565 -12.675 1.00 32.02 H new ATOM 0 HB2 ALA A 23 6.229 -5.039 -12.598 1.00 32.02 H new ATOM 0 HB3 ALA A 23 5.516 -4.522 -14.145 1.00 32.02 H new ATOM 375 N LYS A 24 2.588 -7.113 -13.660 1.00 23.15 N ATOM 376 CA LYS A 24 1.267 -7.316 -14.269 1.00 31.25 C ATOM 377 C LYS A 24 0.445 -6.023 -14.240 1.00 1.14 C ATOM 378 O LYS A 24 -0.487 -5.877 -13.441 1.00 70.32 O ATOM 379 CB LYS A 24 0.522 -8.472 -13.559 1.00 64.15 C ATOM 380 CG LYS A 24 1.155 -9.861 -13.740 1.00 24.42 C ATOM 381 CD LYS A 24 1.214 -10.279 -15.230 1.00 24.32 C ATOM 382 CE LYS A 24 1.365 -11.794 -15.410 1.00 24.10 C ATOM 383 NZ LYS A 24 0.225 -12.544 -14.810 1.00 22.12 N ATOM 0 H LYS A 24 2.641 -7.428 -12.691 1.00 23.15 H new ATOM 0 HA LYS A 24 1.406 -7.591 -15.314 1.00 31.25 H new ATOM 0 HB2 LYS A 24 0.469 -8.250 -12.493 1.00 64.15 H new ATOM 0 HB3 LYS A 24 -0.503 -8.505 -13.929 1.00 64.15 H new ATOM 0 HG2 LYS A 24 2.162 -9.858 -13.324 1.00 24.42 H new ATOM 0 HG3 LYS A 24 0.580 -10.598 -13.179 1.00 24.42 H new ATOM 0 HD2 LYS A 24 0.307 -9.945 -15.734 1.00 24.32 H new ATOM 0 HD3 LYS A 24 2.051 -9.774 -15.713 1.00 24.32 H new ATOM 0 HE2 LYS A 24 1.434 -12.028 -16.472 1.00 24.10 H new ATOM 0 HE3 LYS A 24 2.297 -12.123 -14.950 1.00 24.10 H new ATOM 0 HZ1 LYS A 24 0.563 -13.098 -13.997 1.00 22.12 H new ATOM 0 HZ2 LYS A 24 -0.503 -11.873 -14.493 1.00 22.12 H new ATOM 0 HZ3 LYS A 24 -0.181 -13.185 -15.521 1.00 22.12 H new ATOM 397 N GLU A 25 0.823 -5.092 -15.116 1.00 12.11 N ATOM 398 CA GLU A 25 0.156 -3.784 -15.267 1.00 3.43 C ATOM 399 C GLU A 25 -1.311 -3.944 -15.715 1.00 44.44 C ATOM 400 O GLU A 25 -2.169 -3.099 -15.402 1.00 64.24 O ATOM 401 CB GLU A 25 0.954 -2.902 -16.261 1.00 43.22 C ATOM 402 CG GLU A 25 2.421 -2.670 -15.841 1.00 54.04 C ATOM 403 CD GLU A 25 2.552 -1.909 -14.500 1.00 23.12 C ATOM 404 OE1 GLU A 25 2.480 -0.656 -14.511 1.00 73.31 O ATOM 405 OE2 GLU A 25 2.711 -2.556 -13.441 1.00 53.14 O ATOM 0 H GLU A 25 1.610 -5.220 -15.752 1.00 12.11 H new ATOM 0 HA GLU A 25 0.138 -3.291 -14.295 1.00 3.43 H new ATOM 0 HB2 GLU A 25 0.936 -3.371 -17.245 1.00 43.22 H new ATOM 0 HB3 GLU A 25 0.456 -1.937 -16.359 1.00 43.22 H new ATOM 0 HG2 GLU A 25 2.926 -3.632 -15.757 1.00 54.04 H new ATOM 0 HG3 GLU A 25 2.933 -2.109 -16.623 1.00 54.04 H new ATOM 412 N ASP A 26 -1.565 -5.054 -16.434 1.00 42.32 N ATOM 413 CA ASP A 26 -2.912 -5.507 -16.832 1.00 72.25 C ATOM 414 C ASP A 26 -3.794 -5.710 -15.585 1.00 33.42 C ATOM 415 O ASP A 26 -4.908 -5.197 -15.502 1.00 45.12 O ATOM 416 CB ASP A 26 -2.800 -6.836 -17.647 1.00 14.41 C ATOM 417 CG ASP A 26 -4.165 -7.377 -18.116 1.00 2.15 C ATOM 418 OD1 ASP A 26 -4.827 -8.119 -17.351 1.00 72.31 O ATOM 419 OD2 ASP A 26 -4.601 -7.035 -19.234 1.00 14.05 O ATOM 0 H ASP A 26 -0.824 -5.674 -16.761 1.00 42.32 H new ATOM 0 HA ASP A 26 -3.376 -4.747 -17.460 1.00 72.25 H new ATOM 0 HB2 ASP A 26 -2.164 -6.669 -18.517 1.00 14.41 H new ATOM 0 HB3 ASP A 26 -2.309 -7.591 -17.033 1.00 14.41 H new ATOM 424 N GLU A 27 -3.247 -6.443 -14.608 1.00 63.11 N ATOM 425 CA GLU A 27 -3.957 -6.796 -13.361 1.00 4.11 C ATOM 426 C GLU A 27 -3.945 -5.629 -12.352 1.00 64.02 C ATOM 427 O GLU A 27 -4.764 -5.592 -11.427 1.00 1.43 O ATOM 428 CB GLU A 27 -3.327 -8.074 -12.748 1.00 72.45 C ATOM 429 CG GLU A 27 -3.433 -9.317 -13.661 1.00 45.31 C ATOM 430 CD GLU A 27 -2.877 -10.604 -13.020 1.00 41.00 C ATOM 431 OE1 GLU A 27 -3.406 -11.028 -11.970 1.00 1.21 O ATOM 432 OE2 GLU A 27 -1.922 -11.205 -13.557 1.00 25.44 O ATOM 0 H GLU A 27 -2.297 -6.812 -14.655 1.00 63.11 H new ATOM 0 HA GLU A 27 -5.001 -6.996 -13.601 1.00 4.11 H new ATOM 0 HB2 GLU A 27 -2.276 -7.882 -12.530 1.00 72.45 H new ATOM 0 HB3 GLU A 27 -3.815 -8.289 -11.798 1.00 72.45 H new ATOM 0 HG2 GLU A 27 -4.479 -9.475 -13.925 1.00 45.31 H new ATOM 0 HG3 GLU A 27 -2.896 -9.122 -14.589 1.00 45.31 H new ATOM 439 N LEU A 28 -3.017 -4.678 -12.547 1.00 72.03 N ATOM 440 CA LEU A 28 -2.865 -3.520 -11.668 1.00 10.21 C ATOM 441 C LEU A 28 -3.948 -2.457 -11.953 1.00 63.14 C ATOM 442 O LEU A 28 -4.230 -2.148 -13.119 1.00 14.14 O ATOM 443 CB LEU A 28 -1.471 -2.891 -11.850 1.00 15.54 C ATOM 444 CG LEU A 28 -1.173 -1.697 -10.899 1.00 0.53 C ATOM 445 CD1 LEU A 28 -1.145 -2.149 -9.416 1.00 63.31 C ATOM 446 CD2 LEU A 28 0.122 -0.965 -11.297 1.00 22.42 C ATOM 0 H LEU A 28 -2.353 -4.696 -13.321 1.00 72.03 H new ATOM 0 HA LEU A 28 -2.978 -3.866 -10.641 1.00 10.21 H new ATOM 0 HB2 LEU A 28 -0.716 -3.661 -11.693 1.00 15.54 H new ATOM 0 HB3 LEU A 28 -1.371 -2.552 -12.881 1.00 15.54 H new ATOM 0 HG LEU A 28 -1.990 -0.983 -11.005 1.00 0.53 H new ATOM 0 HD11 LEU A 28 -0.934 -1.291 -8.778 1.00 63.31 H new ATOM 0 HD12 LEU A 28 -2.112 -2.573 -9.146 1.00 63.31 H new ATOM 0 HD13 LEU A 28 -0.369 -2.902 -9.280 1.00 63.31 H new ATOM 0 HD21 LEU A 28 0.298 -0.137 -10.610 1.00 22.42 H new ATOM 0 HD22 LEU A 28 0.961 -1.659 -11.251 1.00 22.42 H new ATOM 0 HD23 LEU A 28 0.025 -0.580 -12.312 1.00 22.42 H new ATOM 458 N ASP A 29 -4.524 -1.912 -10.872 1.00 0.33 N ATOM 459 CA ASP A 29 -5.451 -0.763 -10.911 1.00 54.43 C ATOM 460 C ASP A 29 -5.579 -0.182 -9.497 1.00 14.42 C ATOM 461 O ASP A 29 -5.112 -0.783 -8.510 1.00 63.03 O ATOM 462 CB ASP A 29 -6.856 -1.177 -11.450 1.00 23.22 C ATOM 463 CG ASP A 29 -7.725 0.006 -11.930 1.00 31.12 C ATOM 464 OD1 ASP A 29 -7.478 0.520 -13.030 1.00 12.45 O ATOM 465 OD2 ASP A 29 -8.625 0.464 -11.194 1.00 23.24 O ATOM 0 H ASP A 29 -4.358 -2.261 -9.928 1.00 0.33 H new ATOM 0 HA ASP A 29 -5.049 -0.013 -11.592 1.00 54.43 H new ATOM 0 HB2 ASP A 29 -6.724 -1.875 -12.277 1.00 23.22 H new ATOM 0 HB3 ASP A 29 -7.391 -1.711 -10.665 1.00 23.22 H new ATOM 470 N ASP A 30 -6.222 0.982 -9.423 1.00 72.35 N ATOM 471 CA ASP A 30 -6.517 1.671 -8.165 1.00 54.13 C ATOM 472 C ASP A 30 -7.646 0.955 -7.409 1.00 2.30 C ATOM 473 O ASP A 30 -7.661 0.926 -6.179 1.00 70.04 O ATOM 474 CB ASP A 30 -6.944 3.136 -8.446 1.00 73.44 C ATOM 475 CG ASP A 30 -5.943 3.916 -9.317 1.00 61.21 C ATOM 476 OD1 ASP A 30 -5.808 3.596 -10.517 1.00 5.31 O ATOM 477 OD2 ASP A 30 -5.306 4.863 -8.819 1.00 41.22 O ATOM 0 H ASP A 30 -6.558 1.481 -10.246 1.00 72.35 H new ATOM 0 HA ASP A 30 -5.615 1.663 -7.554 1.00 54.13 H new ATOM 0 HB2 ASP A 30 -7.916 3.134 -8.939 1.00 73.44 H new ATOM 0 HB3 ASP A 30 -7.069 3.657 -7.497 1.00 73.44 H new ATOM 482 N GLN A 31 -8.593 0.400 -8.186 1.00 3.03 N ATOM 483 CA GLN A 31 -9.826 -0.239 -7.688 1.00 45.32 C ATOM 484 C GLN A 31 -9.648 -1.756 -7.528 1.00 33.55 C ATOM 485 O GLN A 31 -10.473 -2.406 -6.873 1.00 12.42 O ATOM 486 CB GLN A 31 -10.987 0.055 -8.673 1.00 22.52 C ATOM 487 CG GLN A 31 -11.216 1.555 -8.942 1.00 1.34 C ATOM 488 CD GLN A 31 -12.203 1.801 -10.078 1.00 22.44 C ATOM 489 OE1 GLN A 31 -13.413 1.911 -9.859 1.00 72.50 O ATOM 490 NE2 GLN A 31 -11.696 1.851 -11.301 1.00 41.32 N ATOM 0 H GLN A 31 -8.521 0.383 -9.203 1.00 3.03 H new ATOM 0 HA GLN A 31 -10.056 0.174 -6.706 1.00 45.32 H new ATOM 0 HB2 GLN A 31 -10.783 -0.446 -9.619 1.00 22.52 H new ATOM 0 HB3 GLN A 31 -11.905 -0.377 -8.275 1.00 22.52 H new ATOM 0 HG2 GLN A 31 -11.586 2.031 -8.034 1.00 1.34 H new ATOM 0 HG3 GLN A 31 -10.264 2.027 -9.184 1.00 1.34 H new ATOM 0 HE21 GLN A 31 -10.690 1.756 -11.440 1.00 41.32 H new ATOM 0 HE22 GLN A 31 -12.312 1.985 -12.103 1.00 41.32 H new ATOM 499 N THR A 32 -8.586 -2.325 -8.145 1.00 11.01 N ATOM 500 CA THR A 32 -8.275 -3.762 -8.026 1.00 61.10 C ATOM 501 C THR A 32 -7.988 -4.118 -6.560 1.00 1.20 C ATOM 502 O THR A 32 -7.161 -3.456 -5.935 1.00 23.43 O ATOM 503 CB THR A 32 -7.061 -4.180 -8.919 1.00 21.11 C ATOM 504 OG1 THR A 32 -7.425 -4.044 -10.301 1.00 61.12 O ATOM 505 CG2 THR A 32 -6.596 -5.628 -8.653 1.00 31.31 C ATOM 0 H THR A 32 -7.931 -1.806 -8.730 1.00 11.01 H new ATOM 0 HA THR A 32 -9.147 -4.313 -8.377 1.00 61.10 H new ATOM 0 HB THR A 32 -6.229 -3.522 -8.668 1.00 21.11 H new ATOM 0 HG1 THR A 32 -6.721 -4.428 -10.864 1.00 61.12 H new ATOM 0 HG21 THR A 32 -5.751 -5.864 -9.300 1.00 31.31 H new ATOM 0 HG22 THR A 32 -6.293 -5.727 -7.611 1.00 31.31 H new ATOM 0 HG23 THR A 32 -7.415 -6.317 -8.860 1.00 31.31 H new ATOM 513 N PRO A 33 -8.709 -5.130 -5.978 1.00 5.12 N ATOM 514 CA PRO A 33 -8.390 -5.656 -4.639 1.00 42.21 C ATOM 515 C PRO A 33 -7.145 -6.575 -4.693 1.00 65.45 C ATOM 516 O PRO A 33 -7.208 -7.717 -5.151 1.00 61.51 O ATOM 517 CB PRO A 33 -9.677 -6.420 -4.249 1.00 23.13 C ATOM 518 CG PRO A 33 -10.307 -6.829 -5.552 1.00 53.31 C ATOM 519 CD PRO A 33 -9.910 -5.788 -6.572 1.00 5.34 C ATOM 0 HA PRO A 33 -8.133 -4.887 -3.911 1.00 42.21 H new ATOM 0 HB2 PRO A 33 -9.447 -7.290 -3.634 1.00 23.13 H new ATOM 0 HB3 PRO A 33 -10.349 -5.788 -3.669 1.00 23.13 H new ATOM 0 HG2 PRO A 33 -9.963 -7.818 -5.855 1.00 53.31 H new ATOM 0 HG3 PRO A 33 -11.391 -6.884 -5.457 1.00 53.31 H new ATOM 0 HD2 PRO A 33 -9.679 -6.243 -7.535 1.00 5.34 H new ATOM 0 HD3 PRO A 33 -10.713 -5.071 -6.742 1.00 5.34 H new ATOM 527 N LEU A 34 -6.014 -6.048 -4.204 1.00 30.22 N ATOM 528 CA LEU A 34 -4.701 -6.704 -4.260 1.00 34.11 C ATOM 529 C LEU A 34 -4.681 -7.978 -3.387 1.00 53.35 C ATOM 530 O LEU A 34 -4.082 -8.982 -3.781 1.00 21.13 O ATOM 531 CB LEU A 34 -3.574 -5.739 -3.806 1.00 22.00 C ATOM 532 CG LEU A 34 -3.279 -4.449 -4.658 1.00 73.22 C ATOM 533 CD1 LEU A 34 -2.937 -4.775 -6.128 1.00 2.21 C ATOM 534 CD2 LEU A 34 -4.406 -3.422 -4.572 1.00 54.44 C ATOM 0 H LEU A 34 -5.986 -5.135 -3.749 1.00 30.22 H new ATOM 0 HA LEU A 34 -4.522 -6.986 -5.297 1.00 34.11 H new ATOM 0 HB2 LEU A 34 -3.807 -5.416 -2.791 1.00 22.00 H new ATOM 0 HB3 LEU A 34 -2.650 -6.315 -3.752 1.00 22.00 H new ATOM 0 HG LEU A 34 -2.393 -3.998 -4.212 1.00 73.22 H new ATOM 0 HD11 LEU A 34 -2.742 -3.850 -6.670 1.00 2.21 H new ATOM 0 HD12 LEU A 34 -2.051 -5.409 -6.163 1.00 2.21 H new ATOM 0 HD13 LEU A 34 -3.775 -5.296 -6.590 1.00 2.21 H new ATOM 0 HD21 LEU A 34 -4.152 -2.552 -5.177 1.00 54.44 H new ATOM 0 HD22 LEU A 34 -5.331 -3.865 -4.942 1.00 54.44 H new ATOM 0 HD23 LEU A 34 -4.541 -3.116 -3.535 1.00 54.44 H new ATOM 546 N LEU A 35 -5.318 -7.923 -2.191 1.00 21.21 N ATOM 547 CA LEU A 35 -5.414 -9.102 -1.272 1.00 13.24 C ATOM 548 C LEU A 35 -6.177 -10.246 -1.944 1.00 44.31 C ATOM 549 O LEU A 35 -5.723 -11.398 -1.953 1.00 62.51 O ATOM 550 CB LEU A 35 -6.127 -8.765 0.073 1.00 2.45 C ATOM 551 CG LEU A 35 -5.319 -7.920 1.105 1.00 32.22 C ATOM 552 CD1 LEU A 35 -4.005 -8.617 1.527 1.00 74.31 C ATOM 553 CD2 LEU A 35 -5.059 -6.499 0.603 1.00 51.42 C ATOM 0 H LEU A 35 -5.773 -7.083 -1.835 1.00 21.21 H new ATOM 0 HA LEU A 35 -4.388 -9.396 -1.053 1.00 13.24 H new ATOM 0 HB2 LEU A 35 -7.049 -8.231 -0.156 1.00 2.45 H new ATOM 0 HB3 LEU A 35 -6.412 -9.702 0.551 1.00 2.45 H new ATOM 0 HG LEU A 35 -5.942 -7.841 1.996 1.00 32.22 H new ATOM 0 HD11 LEU A 35 -3.476 -7.992 2.246 1.00 74.31 H new ATOM 0 HD12 LEU A 35 -4.234 -9.580 1.983 1.00 74.31 H new ATOM 0 HD13 LEU A 35 -3.377 -8.771 0.650 1.00 74.31 H new ATOM 0 HD21 LEU A 35 -4.494 -5.946 1.353 1.00 51.42 H new ATOM 0 HD22 LEU A 35 -4.488 -6.540 -0.325 1.00 51.42 H new ATOM 0 HD23 LEU A 35 -6.010 -5.997 0.422 1.00 51.42 H new ATOM 565 N GLU A 36 -7.341 -9.873 -2.500 1.00 60.01 N ATOM 566 CA GLU A 36 -8.270 -10.798 -3.159 1.00 21.03 C ATOM 567 C GLU A 36 -7.626 -11.437 -4.400 1.00 12.44 C ATOM 568 O GLU A 36 -7.895 -12.598 -4.724 1.00 5.41 O ATOM 569 CB GLU A 36 -9.576 -10.055 -3.542 1.00 33.21 C ATOM 570 CG GLU A 36 -10.670 -10.944 -4.157 1.00 32.21 C ATOM 571 CD GLU A 36 -11.919 -10.153 -4.563 1.00 5.30 C ATOM 572 OE1 GLU A 36 -12.775 -9.894 -3.691 1.00 74.43 O ATOM 573 OE2 GLU A 36 -12.041 -9.756 -5.745 1.00 33.12 O ATOM 0 H GLU A 36 -7.665 -8.906 -2.503 1.00 60.01 H new ATOM 0 HA GLU A 36 -8.512 -11.599 -2.460 1.00 21.03 H new ATOM 0 HB2 GLU A 36 -9.978 -9.574 -2.650 1.00 33.21 H new ATOM 0 HB3 GLU A 36 -9.332 -9.262 -4.249 1.00 33.21 H new ATOM 0 HG2 GLU A 36 -10.268 -11.454 -5.032 1.00 32.21 H new ATOM 0 HG3 GLU A 36 -10.951 -11.715 -3.440 1.00 32.21 H new ATOM 580 N TRP A 37 -6.732 -10.678 -5.061 1.00 11.02 N ATOM 581 CA TRP A 37 -6.044 -11.137 -6.287 1.00 54.21 C ATOM 582 C TRP A 37 -4.699 -11.801 -5.950 1.00 71.54 C ATOM 583 O TRP A 37 -3.886 -12.016 -6.846 1.00 43.43 O ATOM 584 CB TRP A 37 -5.858 -9.953 -7.276 1.00 65.12 C ATOM 585 CG TRP A 37 -7.134 -9.499 -7.967 1.00 21.41 C ATOM 586 CD1 TRP A 37 -8.389 -9.401 -7.430 1.00 51.42 C ATOM 587 CD2 TRP A 37 -7.261 -9.067 -9.334 1.00 51.02 C ATOM 588 NE1 TRP A 37 -9.270 -8.935 -8.360 1.00 43.21 N ATOM 589 CE2 TRP A 37 -8.611 -8.719 -9.538 1.00 35.15 C ATOM 590 CE3 TRP A 37 -6.367 -8.935 -10.401 1.00 1.52 C ATOM 591 CZ2 TRP A 37 -9.082 -8.251 -10.760 1.00 65.22 C ATOM 592 CZ3 TRP A 37 -6.843 -8.467 -11.616 1.00 52.53 C ATOM 593 CH2 TRP A 37 -8.189 -8.130 -11.786 1.00 51.53 C ATOM 0 H TRP A 37 -6.467 -9.738 -4.766 1.00 11.02 H new ATOM 0 HA TRP A 37 -6.666 -11.890 -6.771 1.00 54.21 H new ATOM 0 HB2 TRP A 37 -5.433 -9.108 -6.734 1.00 65.12 H new ATOM 0 HB3 TRP A 37 -5.132 -10.242 -8.036 1.00 65.12 H new ATOM 0 HD1 TRP A 37 -8.645 -9.657 -6.413 1.00 51.42 H new ATOM 0 HE1 TRP A 37 -10.265 -8.773 -8.202 1.00 43.21 H new ATOM 0 HE3 TRP A 37 -5.325 -9.193 -10.281 1.00 1.52 H new ATOM 0 HZ2 TRP A 37 -10.122 -7.991 -10.893 1.00 65.22 H new ATOM 0 HZ3 TRP A 37 -6.161 -8.361 -12.447 1.00 52.53 H new ATOM 0 HH2 TRP A 37 -8.528 -7.768 -12.745 1.00 51.53 H new ATOM 604 N GLY A 38 -4.478 -12.113 -4.654 1.00 40.23 N ATOM 605 CA GLY A 38 -3.282 -12.841 -4.194 1.00 32.21 C ATOM 606 C GLY A 38 -1.956 -12.133 -4.503 1.00 13.52 C ATOM 607 O GLY A 38 -0.899 -12.770 -4.594 1.00 65.13 O ATOM 0 H GLY A 38 -5.123 -11.867 -3.903 1.00 40.23 H new ATOM 0 HA2 GLY A 38 -3.356 -12.995 -3.118 1.00 32.21 H new ATOM 0 HA3 GLY A 38 -3.271 -13.828 -4.657 1.00 32.21 H new ATOM 611 N ILE A 39 -2.032 -10.806 -4.679 1.00 42.43 N ATOM 612 CA ILE A 39 -0.884 -9.949 -5.001 1.00 71.22 C ATOM 613 C ILE A 39 -0.122 -9.617 -3.713 1.00 2.31 C ATOM 614 O ILE A 39 1.103 -9.563 -3.705 1.00 30.41 O ATOM 615 CB ILE A 39 -1.372 -8.641 -5.750 1.00 62.22 C ATOM 616 CG1 ILE A 39 -2.054 -9.031 -7.117 1.00 23.14 C ATOM 617 CG2 ILE A 39 -0.216 -7.625 -5.966 1.00 50.35 C ATOM 618 CD1 ILE A 39 -2.657 -7.878 -7.903 1.00 22.03 C ATOM 0 H ILE A 39 -2.908 -10.290 -4.600 1.00 42.43 H new ATOM 0 HA ILE A 39 -0.205 -10.474 -5.673 1.00 71.22 H new ATOM 0 HB ILE A 39 -2.107 -8.144 -5.117 1.00 62.22 H new ATOM 0 HG12 ILE A 39 -1.313 -9.526 -7.744 1.00 23.14 H new ATOM 0 HG13 ILE A 39 -2.839 -9.760 -6.916 1.00 23.14 H new ATOM 0 HG21 ILE A 39 -0.597 -6.744 -6.483 1.00 50.35 H new ATOM 0 HG22 ILE A 39 0.194 -7.330 -5.000 1.00 50.35 H new ATOM 0 HG23 ILE A 39 0.567 -8.087 -6.567 1.00 50.35 H new ATOM 0 HD11 ILE A 39 -3.099 -8.257 -8.824 1.00 22.03 H new ATOM 0 HD12 ILE A 39 -3.428 -7.393 -7.304 1.00 22.03 H new ATOM 0 HD13 ILE A 39 -1.877 -7.156 -8.145 1.00 22.03 H new ATOM 630 N LEU A 40 -0.875 -9.439 -2.617 1.00 35.23 N ATOM 631 CA LEU A 40 -0.315 -9.121 -1.284 1.00 51.10 C ATOM 632 C LEU A 40 -0.344 -10.360 -0.361 1.00 41.03 C ATOM 633 O LEU A 40 -0.151 -11.476 -0.862 1.00 54.30 O ATOM 634 CB LEU A 40 -1.095 -7.931 -0.685 1.00 4.44 C ATOM 635 CG LEU A 40 -1.106 -6.630 -1.518 1.00 73.00 C ATOM 636 CD1 LEU A 40 -1.818 -5.495 -0.764 1.00 54.33 C ATOM 637 CD2 LEU A 40 0.309 -6.219 -1.960 1.00 74.25 C ATOM 0 H LEU A 40 -1.892 -9.511 -2.625 1.00 35.23 H new ATOM 0 HA LEU A 40 0.732 -8.836 -1.383 1.00 51.10 H new ATOM 0 HB2 LEU A 40 -2.127 -8.244 -0.526 1.00 4.44 H new ATOM 0 HB3 LEU A 40 -0.675 -7.706 0.295 1.00 4.44 H new ATOM 0 HG LEU A 40 -1.674 -6.830 -2.427 1.00 73.00 H new ATOM 0 HD11 LEU A 40 -1.810 -4.592 -1.374 1.00 54.33 H new ATOM 0 HD12 LEU A 40 -2.848 -5.785 -0.558 1.00 54.33 H new ATOM 0 HD13 LEU A 40 -1.301 -5.302 0.176 1.00 54.33 H new ATOM 0 HD21 LEU A 40 0.255 -5.300 -2.543 1.00 74.25 H new ATOM 0 HD22 LEU A 40 0.932 -6.055 -1.081 1.00 74.25 H new ATOM 0 HD23 LEU A 40 0.744 -7.011 -2.570 1.00 74.25 H new ATOM 649 N ASN A 41 -0.577 -10.147 0.972 1.00 12.31 N ATOM 650 CA ASN A 41 -0.502 -11.168 2.022 1.00 11.12 C ATOM 651 C ASN A 41 0.956 -11.481 2.349 1.00 2.31 C ATOM 652 O ASN A 41 1.606 -12.211 1.601 1.00 73.23 O ATOM 653 CB ASN A 41 -1.330 -12.460 1.704 1.00 43.10 C ATOM 654 CG ASN A 41 -2.841 -12.216 1.770 1.00 14.13 C ATOM 655 OD1 ASN A 41 -3.320 -11.511 2.654 1.00 12.23 O ATOM 656 ND2 ASN A 41 -3.605 -12.774 0.844 1.00 12.21 N ATOM 0 H ASN A 41 -0.828 -9.228 1.336 1.00 12.31 H new ATOM 0 HA ASN A 41 -0.975 -10.748 2.910 1.00 11.12 H new ATOM 0 HB2 ASN A 41 -1.066 -12.822 0.710 1.00 43.10 H new ATOM 0 HB3 ASN A 41 -1.060 -13.244 2.411 1.00 43.10 H new ATOM 0 HD21 ASN A 41 -4.614 -12.622 0.855 1.00 12.21 H new ATOM 0 HD22 ASN A 41 -3.185 -13.356 0.119 1.00 12.21 H new ATOM 663 N SER A 42 1.433 -10.905 3.486 1.00 73.32 N ATOM 664 CA SER A 42 2.826 -10.984 3.977 1.00 12.32 C ATOM 665 C SER A 42 3.862 -10.469 2.938 1.00 13.24 C ATOM 666 O SER A 42 4.325 -9.321 3.048 1.00 14.23 O ATOM 667 CB SER A 42 3.211 -12.416 4.456 1.00 11.33 C ATOM 668 OG SER A 42 2.728 -12.771 5.738 1.00 30.04 O ATOM 0 H SER A 42 0.834 -10.356 4.102 1.00 73.32 H new ATOM 0 HA SER A 42 2.861 -10.319 4.840 1.00 12.32 H new ATOM 0 HB2 SER A 42 2.836 -13.138 3.731 1.00 11.33 H new ATOM 0 HB3 SER A 42 4.298 -12.502 4.458 1.00 11.33 H new ATOM 0 HG SER A 42 3.015 -13.683 5.955 1.00 30.04 H new ATOM 673 N MET A 43 4.159 -11.341 1.931 1.00 54.11 N ATOM 674 CA MET A 43 5.252 -11.216 0.934 1.00 73.34 C ATOM 675 C MET A 43 5.558 -9.772 0.544 1.00 61.42 C ATOM 676 O MET A 43 6.668 -9.297 0.731 1.00 61.13 O ATOM 677 CB MET A 43 4.889 -12.005 -0.360 1.00 41.15 C ATOM 678 CG MET A 43 4.511 -13.463 -0.155 1.00 53.44 C ATOM 679 SD MET A 43 3.850 -14.208 -1.661 1.00 4.12 S ATOM 680 CE MET A 43 2.379 -13.206 -1.948 1.00 0.45 C ATOM 0 H MET A 43 3.612 -12.191 1.790 1.00 54.11 H new ATOM 0 HA MET A 43 6.141 -11.627 1.413 1.00 73.34 H new ATOM 0 HB2 MET A 43 4.059 -11.499 -0.852 1.00 41.15 H new ATOM 0 HB3 MET A 43 5.738 -11.961 -1.042 1.00 41.15 H new ATOM 0 HG2 MET A 43 5.388 -14.022 0.172 1.00 53.44 H new ATOM 0 HG3 MET A 43 3.771 -13.537 0.641 1.00 53.44 H new ATOM 0 HE1 MET A 43 1.559 -13.848 -2.269 1.00 0.45 H new ATOM 0 HE2 MET A 43 2.101 -12.695 -1.026 1.00 0.45 H new ATOM 0 HE3 MET A 43 2.587 -12.468 -2.723 1.00 0.45 H new ATOM 690 N ASN A 44 4.545 -9.106 -0.003 1.00 23.24 N ATOM 691 CA ASN A 44 4.659 -7.734 -0.521 1.00 63.32 C ATOM 692 C ASN A 44 4.425 -6.725 0.614 1.00 60.24 C ATOM 693 O ASN A 44 5.182 -5.761 0.770 1.00 63.02 O ATOM 694 CB ASN A 44 3.649 -7.513 -1.679 1.00 43.31 C ATOM 695 CG ASN A 44 3.817 -8.489 -2.860 1.00 41.15 C ATOM 696 OD1 ASN A 44 4.231 -9.633 -2.693 1.00 62.23 O ATOM 697 ND2 ASN A 44 3.496 -8.038 -4.065 1.00 5.02 N ATOM 0 H ASN A 44 3.610 -9.502 -0.103 1.00 23.24 H new ATOM 0 HA ASN A 44 5.664 -7.581 -0.915 1.00 63.32 H new ATOM 0 HB2 ASN A 44 2.637 -7.607 -1.286 1.00 43.31 H new ATOM 0 HB3 ASN A 44 3.754 -6.493 -2.048 1.00 43.31 H new ATOM 0 HD21 ASN A 44 3.591 -8.645 -4.879 1.00 5.02 H new ATOM 0 HD22 ASN A 44 3.154 -7.084 -4.178 1.00 5.02 H new ATOM 704 N ILE A 45 3.422 -7.038 1.448 1.00 63.23 N ATOM 705 CA ILE A 45 2.879 -6.165 2.512 1.00 64.12 C ATOM 706 C ILE A 45 3.942 -5.652 3.508 1.00 2.54 C ATOM 707 O ILE A 45 3.897 -4.482 3.915 1.00 64.50 O ATOM 708 CB ILE A 45 1.686 -6.922 3.248 1.00 50.34 C ATOM 709 CG1 ILE A 45 0.325 -6.592 2.546 1.00 33.44 C ATOM 710 CG2 ILE A 45 1.630 -6.666 4.780 1.00 15.25 C ATOM 711 CD1 ILE A 45 -0.880 -7.293 3.122 1.00 2.30 C ATOM 0 H ILE A 45 2.946 -7.939 1.402 1.00 63.23 H new ATOM 0 HA ILE A 45 2.501 -5.261 2.034 1.00 64.12 H new ATOM 0 HB ILE A 45 1.882 -7.990 3.153 1.00 50.34 H new ATOM 0 HG12 ILE A 45 0.159 -5.516 2.598 1.00 33.44 H new ATOM 0 HG13 ILE A 45 0.406 -6.851 1.490 1.00 33.44 H new ATOM 0 HG21 ILE A 45 0.792 -7.215 5.210 1.00 15.25 H new ATOM 0 HG22 ILE A 45 2.559 -7.004 5.240 1.00 15.25 H new ATOM 0 HG23 ILE A 45 1.500 -5.600 4.966 1.00 15.25 H new ATOM 0 HD11 ILE A 45 -1.771 -6.999 2.568 1.00 2.30 H new ATOM 0 HD12 ILE A 45 -0.745 -8.372 3.045 1.00 2.30 H new ATOM 0 HD13 ILE A 45 -0.996 -7.016 4.170 1.00 2.30 H new ATOM 723 N VAL A 46 4.904 -6.516 3.855 1.00 41.34 N ATOM 724 CA VAL A 46 5.939 -6.199 4.863 1.00 71.34 C ATOM 725 C VAL A 46 6.874 -5.076 4.363 1.00 0.14 C ATOM 726 O VAL A 46 7.392 -4.267 5.139 1.00 41.45 O ATOM 727 CB VAL A 46 6.760 -7.475 5.268 1.00 41.54 C ATOM 728 CG1 VAL A 46 7.822 -7.130 6.336 1.00 31.34 C ATOM 729 CG2 VAL A 46 5.826 -8.604 5.785 1.00 20.53 C ATOM 0 H VAL A 46 4.992 -7.449 3.452 1.00 41.34 H new ATOM 0 HA VAL A 46 5.427 -5.841 5.756 1.00 71.34 H new ATOM 0 HB VAL A 46 7.269 -7.836 4.374 1.00 41.54 H new ATOM 0 HG11 VAL A 46 8.378 -8.030 6.600 1.00 31.34 H new ATOM 0 HG12 VAL A 46 8.509 -6.383 5.938 1.00 31.34 H new ATOM 0 HG13 VAL A 46 7.330 -6.734 7.224 1.00 31.34 H new ATOM 0 HG21 VAL A 46 6.423 -9.474 6.058 1.00 20.53 H new ATOM 0 HG22 VAL A 46 5.278 -8.251 6.659 1.00 20.53 H new ATOM 0 HG23 VAL A 46 5.120 -8.880 5.002 1.00 20.53 H new ATOM 739 N LYS A 47 7.029 -5.017 3.039 1.00 72.24 N ATOM 740 CA LYS A 47 7.882 -4.024 2.373 1.00 31.02 C ATOM 741 C LYS A 47 7.158 -2.675 2.306 1.00 41.11 C ATOM 742 O LYS A 47 7.805 -1.629 2.267 1.00 3.10 O ATOM 743 CB LYS A 47 8.305 -4.490 0.962 1.00 24.34 C ATOM 744 CG LYS A 47 9.296 -5.670 0.932 1.00 31.32 C ATOM 745 CD LYS A 47 8.699 -6.986 1.474 1.00 61.00 C ATOM 746 CE LYS A 47 9.567 -8.211 1.178 1.00 42.15 C ATOM 747 NZ LYS A 47 10.880 -8.161 1.837 1.00 43.03 N ATOM 0 H LYS A 47 6.566 -5.658 2.394 1.00 72.24 H new ATOM 0 HA LYS A 47 8.793 -3.910 2.961 1.00 31.02 H new ATOM 0 HB2 LYS A 47 7.411 -4.773 0.407 1.00 24.34 H new ATOM 0 HB3 LYS A 47 8.753 -3.646 0.437 1.00 24.34 H new ATOM 0 HG2 LYS A 47 9.632 -5.827 -0.093 1.00 31.32 H new ATOM 0 HG3 LYS A 47 10.177 -5.410 1.519 1.00 31.32 H new ATOM 0 HD2 LYS A 47 8.562 -6.898 2.552 1.00 61.00 H new ATOM 0 HD3 LYS A 47 7.711 -7.135 1.038 1.00 61.00 H new ATOM 0 HE2 LYS A 47 9.040 -9.109 1.500 1.00 42.15 H new ATOM 0 HE3 LYS A 47 9.711 -8.295 0.101 1.00 42.15 H new ATOM 0 HZ1 LYS A 47 11.421 -9.017 1.599 1.00 43.03 H new ATOM 0 HZ2 LYS A 47 11.400 -7.321 1.512 1.00 43.03 H new ATOM 0 HZ3 LYS A 47 10.749 -8.110 2.868 1.00 43.03 H new ATOM 761 N LEU A 48 5.804 -2.706 2.283 1.00 14.02 N ATOM 762 CA LEU A 48 4.976 -1.481 2.360 1.00 61.21 C ATOM 763 C LEU A 48 5.063 -0.851 3.755 1.00 41.34 C ATOM 764 O LEU A 48 4.995 0.372 3.877 1.00 72.11 O ATOM 765 CB LEU A 48 3.486 -1.737 1.983 1.00 24.13 C ATOM 766 CG LEU A 48 3.180 -1.899 0.453 1.00 70.22 C ATOM 767 CD1 LEU A 48 3.703 -0.681 -0.364 1.00 23.14 C ATOM 768 CD2 LEU A 48 3.734 -3.221 -0.118 1.00 14.30 C ATOM 0 H LEU A 48 5.263 -3.568 2.212 1.00 14.02 H new ATOM 0 HA LEU A 48 5.383 -0.787 1.624 1.00 61.21 H new ATOM 0 HB2 LEU A 48 3.152 -2.638 2.497 1.00 24.13 H new ATOM 0 HB3 LEU A 48 2.888 -0.911 2.367 1.00 24.13 H new ATOM 0 HG LEU A 48 2.095 -1.934 0.355 1.00 70.22 H new ATOM 0 HD11 LEU A 48 3.474 -0.826 -1.420 1.00 23.14 H new ATOM 0 HD12 LEU A 48 3.220 0.229 -0.010 1.00 23.14 H new ATOM 0 HD13 LEU A 48 4.782 -0.593 -0.235 1.00 23.14 H new ATOM 0 HD21 LEU A 48 3.497 -3.286 -1.180 1.00 14.30 H new ATOM 0 HD22 LEU A 48 4.816 -3.250 0.015 1.00 14.30 H new ATOM 0 HD23 LEU A 48 3.282 -4.062 0.407 1.00 14.30 H new ATOM 780 N MET A 49 5.237 -1.698 4.793 1.00 5.21 N ATOM 781 CA MET A 49 5.378 -1.237 6.196 1.00 32.41 C ATOM 782 C MET A 49 6.560 -0.256 6.301 1.00 1.15 C ATOM 783 O MET A 49 6.391 0.895 6.729 1.00 11.41 O ATOM 784 CB MET A 49 5.599 -2.430 7.182 1.00 73.34 C ATOM 785 CG MET A 49 4.538 -3.537 7.135 1.00 15.32 C ATOM 786 SD MET A 49 4.962 -4.918 8.225 1.00 23.11 S ATOM 787 CE MET A 49 3.751 -6.168 7.795 1.00 40.32 C ATOM 0 H MET A 49 5.284 -2.711 4.686 1.00 5.21 H new ATOM 0 HA MET A 49 4.450 -0.739 6.477 1.00 32.41 H new ATOM 0 HB2 MET A 49 6.572 -2.875 6.972 1.00 73.34 H new ATOM 0 HB3 MET A 49 5.641 -2.035 8.197 1.00 73.34 H new ATOM 0 HG2 MET A 49 3.571 -3.127 7.427 1.00 15.32 H new ATOM 0 HG3 MET A 49 4.435 -3.899 6.112 1.00 15.32 H new ATOM 0 HE1 MET A 49 4.207 -7.156 7.865 1.00 40.32 H new ATOM 0 HE2 MET A 49 2.907 -6.108 8.482 1.00 40.32 H new ATOM 0 HE3 MET A 49 3.402 -6.001 6.776 1.00 40.32 H new ATOM 797 N VAL A 50 7.743 -0.727 5.865 1.00 33.34 N ATOM 798 CA VAL A 50 8.980 0.080 5.873 1.00 35.52 C ATOM 799 C VAL A 50 8.953 1.201 4.803 1.00 43.03 C ATOM 800 O VAL A 50 9.543 2.272 5.010 1.00 62.32 O ATOM 801 CB VAL A 50 10.270 -0.816 5.693 1.00 73.12 C ATOM 802 CG1 VAL A 50 10.258 -1.608 4.363 1.00 42.20 C ATOM 803 CG2 VAL A 50 11.573 0.021 5.825 1.00 71.42 C ATOM 0 H VAL A 50 7.870 -1.671 5.499 1.00 33.34 H new ATOM 0 HA VAL A 50 9.027 0.552 6.854 1.00 35.52 H new ATOM 0 HB VAL A 50 10.252 -1.545 6.504 1.00 73.12 H new ATOM 0 HG11 VAL A 50 11.165 -2.207 4.288 1.00 42.20 H new ATOM 0 HG12 VAL A 50 9.387 -2.263 4.338 1.00 42.20 H new ATOM 0 HG13 VAL A 50 10.213 -0.912 3.525 1.00 42.20 H new ATOM 0 HG21 VAL A 50 12.438 -0.629 5.695 1.00 71.42 H new ATOM 0 HG22 VAL A 50 11.585 0.798 5.061 1.00 71.42 H new ATOM 0 HG23 VAL A 50 11.611 0.482 6.812 1.00 71.42 H new ATOM 813 N TYR A 51 8.253 0.960 3.670 1.00 60.53 N ATOM 814 CA TYR A 51 8.197 1.929 2.546 1.00 63.33 C ATOM 815 C TYR A 51 7.573 3.238 3.017 1.00 1.22 C ATOM 816 O TYR A 51 8.188 4.293 2.950 1.00 44.51 O ATOM 817 CB TYR A 51 7.387 1.374 1.347 1.00 2.14 C ATOM 818 CG TYR A 51 7.600 2.174 0.043 1.00 43.34 C ATOM 819 CD1 TYR A 51 8.785 2.034 -0.688 1.00 63.12 C ATOM 820 CD2 TYR A 51 6.631 3.050 -0.456 1.00 43.34 C ATOM 821 CE1 TYR A 51 8.990 2.729 -1.864 1.00 44.11 C ATOM 822 CE2 TYR A 51 6.836 3.747 -1.628 1.00 72.35 C ATOM 823 CZ TYR A 51 8.008 3.584 -2.330 1.00 74.32 C ATOM 824 OH TYR A 51 8.192 4.286 -3.501 1.00 3.13 O ATOM 0 H TYR A 51 7.720 0.106 3.508 1.00 60.53 H new ATOM 0 HA TYR A 51 9.220 2.103 2.212 1.00 63.33 H new ATOM 0 HB2 TYR A 51 7.668 0.335 1.177 1.00 2.14 H new ATOM 0 HB3 TYR A 51 6.327 1.380 1.600 1.00 2.14 H new ATOM 0 HD1 TYR A 51 9.555 1.369 -0.325 1.00 63.12 H new ATOM 0 HD2 TYR A 51 5.706 3.183 0.086 1.00 43.34 H new ATOM 0 HE1 TYR A 51 9.910 2.606 -2.415 1.00 44.11 H new ATOM 0 HE2 TYR A 51 6.076 4.421 -1.995 1.00 72.35 H new ATOM 0 HH TYR A 51 7.402 4.838 -3.679 1.00 3.13 H new ATOM 834 N ILE A 52 6.354 3.102 3.538 1.00 21.11 N ATOM 835 CA ILE A 52 5.509 4.212 4.005 1.00 5.03 C ATOM 836 C ILE A 52 6.128 4.887 5.247 1.00 71.32 C ATOM 837 O ILE A 52 5.932 6.086 5.483 1.00 52.24 O ATOM 838 CB ILE A 52 4.063 3.652 4.290 1.00 20.44 C ATOM 839 CG1 ILE A 52 3.498 2.986 2.984 1.00 1.21 C ATOM 840 CG2 ILE A 52 3.096 4.742 4.813 1.00 50.13 C ATOM 841 CD1 ILE A 52 2.318 2.064 3.197 1.00 42.31 C ATOM 0 H ILE A 52 5.910 2.191 3.652 1.00 21.11 H new ATOM 0 HA ILE A 52 5.442 4.984 3.238 1.00 5.03 H new ATOM 0 HB ILE A 52 4.142 2.906 5.081 1.00 20.44 H new ATOM 0 HG12 ILE A 52 3.204 3.774 2.290 1.00 1.21 H new ATOM 0 HG13 ILE A 52 4.299 2.422 2.506 1.00 1.21 H new ATOM 0 HG21 ILE A 52 2.115 4.302 4.993 1.00 50.13 H new ATOM 0 HG22 ILE A 52 3.484 5.156 5.744 1.00 50.13 H new ATOM 0 HG23 ILE A 52 3.007 5.536 4.071 1.00 50.13 H new ATOM 0 HD11 ILE A 52 2.000 1.653 2.239 1.00 42.31 H new ATOM 0 HD12 ILE A 52 2.607 1.251 3.862 1.00 42.31 H new ATOM 0 HD13 ILE A 52 1.496 2.623 3.643 1.00 42.31 H new ATOM 853 N ARG A 53 6.909 4.094 6.009 1.00 74.11 N ATOM 854 CA ARG A 53 7.656 4.568 7.198 1.00 5.24 C ATOM 855 C ARG A 53 8.673 5.664 6.839 1.00 43.31 C ATOM 856 O ARG A 53 8.812 6.654 7.563 1.00 5.01 O ATOM 857 CB ARG A 53 8.363 3.380 7.891 1.00 42.31 C ATOM 858 CG ARG A 53 9.127 3.749 9.185 1.00 41.12 C ATOM 859 CD ARG A 53 9.725 2.517 9.893 1.00 1.14 C ATOM 860 NE ARG A 53 10.459 2.875 11.124 1.00 3.51 N ATOM 861 CZ ARG A 53 11.336 2.077 11.757 1.00 12.31 C ATOM 862 NH1 ARG A 53 11.610 0.872 11.283 1.00 31.11 N ATOM 863 NH2 ARG A 53 11.937 2.502 12.859 1.00 43.04 N ATOM 0 H ARG A 53 7.042 3.101 5.818 1.00 74.11 H new ATOM 0 HA ARG A 53 6.935 5.008 7.887 1.00 5.24 H new ATOM 0 HB2 ARG A 53 7.619 2.620 8.129 1.00 42.31 H new ATOM 0 HB3 ARG A 53 9.063 2.931 7.187 1.00 42.31 H new ATOM 0 HG2 ARG A 53 9.927 4.448 8.943 1.00 41.12 H new ATOM 0 HG3 ARG A 53 8.450 4.263 9.868 1.00 41.12 H new ATOM 0 HD2 ARG A 53 8.925 1.820 10.140 1.00 1.14 H new ATOM 0 HD3 ARG A 53 10.398 2.000 9.209 1.00 1.14 H new ATOM 0 HE ARG A 53 10.287 3.798 11.524 1.00 3.51 H new ATOM 0 HH11 ARG A 53 11.154 0.543 10.432 1.00 31.11 H new ATOM 0 HH12 ARG A 53 12.277 0.272 11.769 1.00 31.11 H new ATOM 0 HH21 ARG A 53 11.734 3.432 13.224 1.00 43.04 H new ATOM 0 HH22 ARG A 53 12.603 1.899 13.342 1.00 43.04 H new ATOM 877 N ASP A 54 9.398 5.456 5.738 1.00 64.35 N ATOM 878 CA ASP A 54 10.352 6.434 5.203 1.00 43.12 C ATOM 879 C ASP A 54 9.606 7.525 4.408 1.00 54.20 C ATOM 880 O ASP A 54 9.697 8.718 4.714 1.00 11.23 O ATOM 881 CB ASP A 54 11.393 5.705 4.302 1.00 24.11 C ATOM 882 CG ASP A 54 12.406 4.854 5.084 1.00 14.42 C ATOM 883 OD1 ASP A 54 13.316 5.436 5.717 1.00 15.24 O ATOM 884 OD2 ASP A 54 12.305 3.609 5.070 1.00 55.25 O ATOM 0 H ASP A 54 9.340 4.599 5.188 1.00 64.35 H new ATOM 0 HA ASP A 54 10.878 6.917 6.027 1.00 43.12 H new ATOM 0 HB2 ASP A 54 10.863 5.065 3.597 1.00 24.11 H new ATOM 0 HB3 ASP A 54 11.934 6.447 3.715 1.00 24.11 H new ATOM 889 N GLU A 55 8.813 7.066 3.438 1.00 13.23 N ATOM 890 CA GLU A 55 8.222 7.898 2.373 1.00 23.53 C ATOM 891 C GLU A 55 7.174 8.899 2.914 1.00 32.41 C ATOM 892 O GLU A 55 7.274 10.102 2.666 1.00 53.34 O ATOM 893 CB GLU A 55 7.622 6.948 1.306 1.00 2.22 C ATOM 894 CG GLU A 55 7.195 7.594 -0.023 1.00 4.24 C ATOM 895 CD GLU A 55 8.331 8.282 -0.801 1.00 41.51 C ATOM 896 OE1 GLU A 55 9.441 7.715 -0.879 1.00 33.31 O ATOM 897 OE2 GLU A 55 8.108 9.367 -1.383 1.00 45.11 O ATOM 0 H GLU A 55 8.554 6.082 3.364 1.00 13.23 H new ATOM 0 HA GLU A 55 8.999 8.518 1.925 1.00 23.53 H new ATOM 0 HB2 GLU A 55 8.356 6.172 1.088 1.00 2.22 H new ATOM 0 HB3 GLU A 55 6.753 6.453 1.740 1.00 2.22 H new ATOM 0 HG2 GLU A 55 6.752 6.827 -0.658 1.00 4.24 H new ATOM 0 HG3 GLU A 55 6.416 8.329 0.180 1.00 4.24 H new ATOM 904 N MET A 56 6.172 8.404 3.651 1.00 55.03 N ATOM 905 CA MET A 56 5.146 9.277 4.296 1.00 34.52 C ATOM 906 C MET A 56 5.533 9.634 5.738 1.00 63.23 C ATOM 907 O MET A 56 4.872 10.471 6.363 1.00 24.53 O ATOM 908 CB MET A 56 3.727 8.631 4.247 1.00 54.20 C ATOM 909 CG MET A 56 2.941 8.920 2.958 1.00 13.33 C ATOM 910 SD MET A 56 3.798 8.396 1.464 1.00 42.45 S ATOM 911 CE MET A 56 3.798 6.618 1.658 1.00 23.41 C ATOM 0 H MET A 56 6.038 7.408 3.824 1.00 55.03 H new ATOM 0 HA MET A 56 5.111 10.202 3.721 1.00 34.52 H new ATOM 0 HB2 MET A 56 3.828 7.552 4.362 1.00 54.20 H new ATOM 0 HB3 MET A 56 3.149 8.989 5.099 1.00 54.20 H new ATOM 0 HG2 MET A 56 1.976 8.416 3.010 1.00 13.33 H new ATOM 0 HG3 MET A 56 2.740 9.989 2.896 1.00 13.33 H new ATOM 0 HE1 MET A 56 4.359 6.163 0.842 1.00 23.41 H new ATOM 0 HE2 MET A 56 4.263 6.356 2.608 1.00 23.41 H new ATOM 0 HE3 MET A 56 2.772 6.250 1.643 1.00 23.41 H new ATOM 921 N GLY A 57 6.600 9.003 6.256 1.00 33.22 N ATOM 922 CA GLY A 57 7.042 9.224 7.628 1.00 21.21 C ATOM 923 C GLY A 57 6.128 8.562 8.652 1.00 52.12 C ATOM 924 O GLY A 57 6.051 9.016 9.793 1.00 24.04 O ATOM 0 H GLY A 57 7.169 8.335 5.737 1.00 33.22 H new ATOM 0 HA2 GLY A 57 8.054 8.837 7.746 1.00 21.21 H new ATOM 0 HA3 GLY A 57 7.085 10.295 7.824 1.00 21.21 H new ATOM 928 N VAL A 58 5.410 7.498 8.243 1.00 71.34 N ATOM 929 CA VAL A 58 4.512 6.755 9.145 1.00 61.03 C ATOM 930 C VAL A 58 4.630 5.247 8.865 1.00 4.34 C ATOM 931 O VAL A 58 4.351 4.786 7.759 1.00 2.34 O ATOM 932 CB VAL A 58 3.008 7.237 9.013 1.00 30.43 C ATOM 933 CG1 VAL A 58 2.480 7.149 7.557 1.00 22.54 C ATOM 934 CG2 VAL A 58 2.093 6.452 9.980 1.00 33.01 C ATOM 0 H VAL A 58 5.436 7.134 7.291 1.00 71.34 H new ATOM 0 HA VAL A 58 4.820 6.956 10.171 1.00 61.03 H new ATOM 0 HB VAL A 58 2.988 8.291 9.291 1.00 30.43 H new ATOM 0 HG11 VAL A 58 1.446 7.491 7.524 1.00 22.54 H new ATOM 0 HG12 VAL A 58 3.091 7.778 6.910 1.00 22.54 H new ATOM 0 HG13 VAL A 58 2.532 6.116 7.213 1.00 22.54 H new ATOM 0 HG21 VAL A 58 1.066 6.800 9.872 1.00 33.01 H new ATOM 0 HG22 VAL A 58 2.143 5.389 9.745 1.00 33.01 H new ATOM 0 HG23 VAL A 58 2.424 6.613 11.006 1.00 33.01 H new ATOM 944 N SER A 59 5.087 4.489 9.858 1.00 63.25 N ATOM 945 CA SER A 59 5.127 3.030 9.794 1.00 22.33 C ATOM 946 C SER A 59 3.723 2.481 9.995 1.00 73.43 C ATOM 947 O SER A 59 2.992 2.983 10.867 1.00 44.42 O ATOM 948 CB SER A 59 6.071 2.512 10.894 1.00 52.53 C ATOM 949 OG SER A 59 5.801 3.139 12.141 1.00 30.34 O ATOM 0 H SER A 59 5.442 4.871 10.735 1.00 63.25 H new ATOM 0 HA SER A 59 5.495 2.701 8.822 1.00 22.33 H new ATOM 0 HB2 SER A 59 5.958 1.433 10.995 1.00 52.53 H new ATOM 0 HB3 SER A 59 7.106 2.699 10.607 1.00 52.53 H new ATOM 0 HG SER A 59 6.414 2.790 12.822 1.00 30.34 H new ATOM 955 N ILE A 60 3.332 1.487 9.185 1.00 53.23 N ATOM 956 CA ILE A 60 2.112 0.715 9.441 1.00 22.34 C ATOM 957 C ILE A 60 2.420 -0.292 10.574 1.00 21.04 C ATOM 958 O ILE A 60 3.207 -1.228 10.361 1.00 24.13 O ATOM 959 CB ILE A 60 1.585 -0.080 8.186 1.00 63.05 C ATOM 960 CG1 ILE A 60 1.517 0.803 6.897 1.00 41.23 C ATOM 961 CG2 ILE A 60 0.183 -0.676 8.502 1.00 73.05 C ATOM 962 CD1 ILE A 60 0.361 1.787 6.864 1.00 71.42 C ATOM 0 H ILE A 60 3.843 1.201 8.350 1.00 53.23 H new ATOM 0 HA ILE A 60 1.328 1.423 9.709 1.00 22.34 H new ATOM 0 HB ILE A 60 2.297 -0.880 7.982 1.00 63.05 H new ATOM 0 HG12 ILE A 60 2.451 1.357 6.802 1.00 41.23 H new ATOM 0 HG13 ILE A 60 1.445 0.149 6.028 1.00 41.23 H new ATOM 0 HG21 ILE A 60 -0.182 -1.226 7.635 1.00 73.05 H new ATOM 0 HG22 ILE A 60 0.258 -1.351 9.354 1.00 73.05 H new ATOM 0 HG23 ILE A 60 -0.511 0.131 8.738 1.00 73.05 H new ATOM 0 HD11 ILE A 60 0.394 2.356 5.935 1.00 71.42 H new ATOM 0 HD12 ILE A 60 -0.582 1.243 6.924 1.00 71.42 H new ATOM 0 HD13 ILE A 60 0.440 2.470 7.710 1.00 71.42 H new ATOM 974 N PRO A 61 1.840 -0.099 11.800 1.00 62.15 N ATOM 975 CA PRO A 61 2.055 -1.023 12.938 1.00 14.41 C ATOM 976 C PRO A 61 1.303 -2.341 12.740 1.00 23.53 C ATOM 977 O PRO A 61 0.391 -2.421 11.903 1.00 71.32 O ATOM 978 CB PRO A 61 1.488 -0.232 14.134 1.00 41.41 C ATOM 979 CG PRO A 61 0.415 0.611 13.537 1.00 20.13 C ATOM 980 CD PRO A 61 0.922 1.020 12.176 1.00 71.14 C ATOM 0 HA PRO A 61 3.099 -1.309 13.065 1.00 14.41 H new ATOM 0 HB2 PRO A 61 1.091 -0.898 14.900 1.00 41.41 H new ATOM 0 HB3 PRO A 61 2.256 0.378 14.609 1.00 41.41 H new ATOM 0 HG2 PRO A 61 -0.519 0.055 13.455 1.00 20.13 H new ATOM 0 HG3 PRO A 61 0.213 1.484 14.158 1.00 20.13 H new ATOM 0 HD2 PRO A 61 0.108 1.130 11.460 1.00 71.14 H new ATOM 0 HD3 PRO A 61 1.446 1.975 12.212 1.00 71.14 H new ATOM 988 N SER A 62 1.658 -3.341 13.555 1.00 21.44 N ATOM 989 CA SER A 62 1.104 -4.702 13.471 1.00 40.40 C ATOM 990 C SER A 62 -0.433 -4.737 13.698 1.00 11.33 C ATOM 991 O SER A 62 -1.117 -5.643 13.213 1.00 62.13 O ATOM 992 CB SER A 62 1.833 -5.590 14.487 1.00 0.40 C ATOM 993 OG SER A 62 1.772 -5.023 15.790 1.00 72.15 O ATOM 0 H SER A 62 2.345 -3.229 14.300 1.00 21.44 H new ATOM 0 HA SER A 62 1.264 -5.079 12.461 1.00 40.40 H new ATOM 0 HB2 SER A 62 1.384 -6.583 14.497 1.00 0.40 H new ATOM 0 HB3 SER A 62 2.874 -5.713 14.188 1.00 0.40 H new ATOM 0 HG SER A 62 2.241 -5.606 16.423 1.00 72.15 H new ATOM 999 N THR A 63 -0.955 -3.731 14.432 1.00 0.43 N ATOM 1000 CA THR A 63 -2.398 -3.579 14.691 1.00 45.23 C ATOM 1001 C THR A 63 -3.149 -3.095 13.430 1.00 15.05 C ATOM 1002 O THR A 63 -4.320 -3.418 13.221 1.00 11.34 O ATOM 1003 CB THR A 63 -2.645 -2.605 15.895 1.00 11.03 C ATOM 1004 OG1 THR A 63 -4.028 -2.618 16.255 1.00 42.22 O ATOM 1005 CG2 THR A 63 -2.201 -1.159 15.609 1.00 1.45 C ATOM 0 H THR A 63 -0.385 -3.002 14.861 1.00 0.43 H new ATOM 0 HA THR A 63 -2.794 -4.560 14.955 1.00 45.23 H new ATOM 0 HB THR A 63 -2.032 -2.968 16.720 1.00 11.03 H new ATOM 0 HG1 THR A 63 -4.176 -2.009 17.008 1.00 42.22 H new ATOM 0 HG21 THR A 63 -2.400 -0.538 16.482 1.00 1.45 H new ATOM 0 HG22 THR A 63 -1.134 -1.143 15.388 1.00 1.45 H new ATOM 0 HG23 THR A 63 -2.755 -0.771 14.754 1.00 1.45 H new ATOM 1013 N HIS A 64 -2.451 -2.317 12.575 1.00 55.32 N ATOM 1014 CA HIS A 64 -3.011 -1.790 11.310 1.00 32.11 C ATOM 1015 C HIS A 64 -2.581 -2.633 10.109 1.00 73.54 C ATOM 1016 O HIS A 64 -2.848 -2.258 8.960 1.00 23.54 O ATOM 1017 CB HIS A 64 -2.655 -0.286 11.155 1.00 1.50 C ATOM 1018 CG HIS A 64 -3.506 0.599 12.035 1.00 32.31 C ATOM 1019 ND1 HIS A 64 -3.044 1.247 13.164 1.00 32.23 N ATOM 1020 CD2 HIS A 64 -4.820 0.908 11.948 1.00 14.24 C ATOM 1021 CE1 HIS A 64 -4.038 1.904 13.730 1.00 51.15 C ATOM 1022 NE2 HIS A 64 -5.122 1.716 13.011 1.00 31.34 N ATOM 0 H HIS A 64 -1.485 -2.036 12.741 1.00 55.32 H new ATOM 0 HA HIS A 64 -4.098 -1.865 11.348 1.00 32.11 H new ATOM 0 HB2 HIS A 64 -1.604 -0.137 11.402 1.00 1.50 H new ATOM 0 HB3 HIS A 64 -2.783 0.010 10.114 1.00 1.50 H new ATOM 0 HD2 HIS A 64 -5.505 0.578 11.181 1.00 14.24 H new ATOM 0 HE1 HIS A 64 -3.972 2.496 14.631 1.00 51.15 H new ATOM 0 HE2 HIS A 64 -6.041 2.109 13.213 1.00 31.34 H new ATOM 1031 N ILE A 65 -1.948 -3.796 10.367 1.00 52.22 N ATOM 1032 CA ILE A 65 -1.689 -4.784 9.313 1.00 71.52 C ATOM 1033 C ILE A 65 -2.937 -5.651 9.159 1.00 44.13 C ATOM 1034 O ILE A 65 -3.149 -6.604 9.917 1.00 74.02 O ATOM 1035 CB ILE A 65 -0.441 -5.692 9.597 1.00 34.12 C ATOM 1036 CG1 ILE A 65 0.816 -4.840 9.886 1.00 74.34 C ATOM 1037 CG2 ILE A 65 -0.174 -6.632 8.400 1.00 10.30 C ATOM 1038 CD1 ILE A 65 1.211 -3.930 8.755 1.00 31.30 C ATOM 0 H ILE A 65 -1.611 -4.068 11.291 1.00 52.22 H new ATOM 0 HA ILE A 65 -1.461 -4.241 8.396 1.00 71.52 H new ATOM 0 HB ILE A 65 -0.660 -6.291 10.481 1.00 34.12 H new ATOM 0 HG12 ILE A 65 0.638 -4.239 10.777 1.00 74.34 H new ATOM 0 HG13 ILE A 65 1.649 -5.505 10.112 1.00 74.34 H new ATOM 0 HG21 ILE A 65 0.695 -7.255 8.613 1.00 10.30 H new ATOM 0 HG22 ILE A 65 -1.044 -7.267 8.235 1.00 10.30 H new ATOM 0 HG23 ILE A 65 0.016 -6.038 7.506 1.00 10.30 H new ATOM 0 HD11 ILE A 65 2.101 -3.366 9.035 1.00 31.30 H new ATOM 0 HD12 ILE A 65 1.423 -4.525 7.866 1.00 31.30 H new ATOM 0 HD13 ILE A 65 0.396 -3.238 8.543 1.00 31.30 H new ATOM 1050 N THR A 66 -3.790 -5.263 8.215 1.00 24.33 N ATOM 1051 CA THR A 66 -5.025 -5.971 7.929 1.00 73.54 C ATOM 1052 C THR A 66 -5.403 -5.769 6.462 1.00 1.34 C ATOM 1053 O THR A 66 -5.182 -4.693 5.895 1.00 31.54 O ATOM 1054 CB THR A 66 -6.179 -5.515 8.882 1.00 63.42 C ATOM 1055 OG1 THR A 66 -7.432 -6.083 8.474 1.00 14.20 O ATOM 1056 CG2 THR A 66 -6.301 -3.989 8.946 1.00 61.32 C ATOM 0 H THR A 66 -3.639 -4.444 7.626 1.00 24.33 H new ATOM 0 HA THR A 66 -4.868 -7.035 8.109 1.00 73.54 H new ATOM 0 HB THR A 66 -5.927 -5.876 9.879 1.00 63.42 H new ATOM 0 HG1 THR A 66 -7.706 -6.768 9.119 1.00 14.20 H new ATOM 0 HG21 THR A 66 -7.114 -3.717 9.619 1.00 61.32 H new ATOM 0 HG22 THR A 66 -5.367 -3.565 9.315 1.00 61.32 H new ATOM 0 HG23 THR A 66 -6.508 -3.598 7.950 1.00 61.32 H new ATOM 1064 N GLY A 67 -5.990 -6.817 5.873 1.00 71.02 N ATOM 1065 CA GLY A 67 -6.376 -6.822 4.468 1.00 65.34 C ATOM 1066 C GLY A 67 -7.387 -5.736 4.111 1.00 51.51 C ATOM 1067 O GLY A 67 -7.364 -5.215 2.996 1.00 64.22 O ATOM 0 H GLY A 67 -6.209 -7.684 6.363 1.00 71.02 H new ATOM 0 HA2 GLY A 67 -5.485 -6.694 3.854 1.00 65.34 H new ATOM 0 HA3 GLY A 67 -6.797 -7.796 4.219 1.00 65.34 H new ATOM 1071 N LYS A 68 -8.263 -5.381 5.080 1.00 62.24 N ATOM 1072 CA LYS A 68 -9.347 -4.400 4.868 1.00 62.21 C ATOM 1073 C LYS A 68 -8.821 -2.962 4.658 1.00 61.40 C ATOM 1074 O LYS A 68 -9.470 -2.155 3.986 1.00 4.45 O ATOM 1075 CB LYS A 68 -10.362 -4.436 6.033 1.00 73.32 C ATOM 1076 CG LYS A 68 -9.778 -4.086 7.416 1.00 10.31 C ATOM 1077 CD LYS A 68 -10.859 -3.988 8.512 1.00 53.51 C ATOM 1078 CE LYS A 68 -10.254 -3.892 9.918 1.00 23.25 C ATOM 1079 NZ LYS A 68 -9.495 -5.120 10.275 1.00 72.01 N ATOM 0 H LYS A 68 -8.237 -5.765 6.024 1.00 62.24 H new ATOM 0 HA LYS A 68 -9.852 -4.694 3.948 1.00 62.21 H new ATOM 0 HB2 LYS A 68 -11.172 -3.741 5.811 1.00 73.32 H new ATOM 0 HB3 LYS A 68 -10.801 -5.433 6.082 1.00 73.32 H new ATOM 0 HG2 LYS A 68 -9.047 -4.843 7.699 1.00 10.31 H new ATOM 0 HG3 LYS A 68 -9.245 -3.137 7.351 1.00 10.31 H new ATOM 0 HD2 LYS A 68 -11.483 -3.114 8.327 1.00 53.51 H new ATOM 0 HD3 LYS A 68 -11.509 -4.861 8.457 1.00 53.51 H new ATOM 0 HE2 LYS A 68 -9.593 -3.027 9.971 1.00 23.25 H new ATOM 0 HE3 LYS A 68 -11.049 -3.731 10.646 1.00 23.25 H new ATOM 0 HZ1 LYS A 68 -9.173 -5.054 11.262 1.00 72.01 H new ATOM 0 HZ2 LYS A 68 -10.110 -5.952 10.166 1.00 72.01 H new ATOM 0 HZ3 LYS A 68 -8.671 -5.214 9.647 1.00 72.01 H new ATOM 1093 N TYR A 69 -7.655 -2.637 5.237 1.00 31.20 N ATOM 1094 CA TYR A 69 -7.021 -1.305 5.059 1.00 33.14 C ATOM 1095 C TYR A 69 -6.025 -1.301 3.892 1.00 33.44 C ATOM 1096 O TYR A 69 -5.627 -0.234 3.413 1.00 2.15 O ATOM 1097 CB TYR A 69 -6.323 -0.864 6.363 1.00 11.32 C ATOM 1098 CG TYR A 69 -7.277 -0.536 7.537 1.00 41.41 C ATOM 1099 CD1 TYR A 69 -8.616 -0.145 7.326 1.00 63.33 C ATOM 1100 CD2 TYR A 69 -6.838 -0.607 8.862 1.00 43.33 C ATOM 1101 CE1 TYR A 69 -9.455 0.148 8.383 1.00 70.13 C ATOM 1102 CE2 TYR A 69 -7.680 -0.315 9.917 1.00 72.24 C ATOM 1103 CZ TYR A 69 -8.984 0.061 9.673 1.00 55.15 C ATOM 1104 OH TYR A 69 -9.824 0.343 10.731 1.00 70.40 O ATOM 0 H TYR A 69 -7.126 -3.273 5.834 1.00 31.20 H new ATOM 0 HA TYR A 69 -7.811 -0.593 4.820 1.00 33.14 H new ATOM 0 HB2 TYR A 69 -5.642 -1.655 6.678 1.00 11.32 H new ATOM 0 HB3 TYR A 69 -5.715 0.016 6.152 1.00 11.32 H new ATOM 0 HD1 TYR A 69 -8.993 -0.073 6.316 1.00 63.33 H new ATOM 0 HD2 TYR A 69 -5.818 -0.897 9.065 1.00 43.33 H new ATOM 0 HE1 TYR A 69 -10.477 0.444 8.198 1.00 70.13 H new ATOM 0 HE2 TYR A 69 -7.317 -0.381 10.932 1.00 72.24 H new ATOM 0 HH TYR A 69 -9.337 0.233 11.574 1.00 70.40 H new ATOM 1114 N PHE A 70 -5.622 -2.499 3.435 1.00 71.53 N ATOM 1115 CA PHE A 70 -4.662 -2.672 2.320 1.00 64.22 C ATOM 1116 C PHE A 70 -5.355 -3.097 1.017 1.00 10.01 C ATOM 1117 O PHE A 70 -4.647 -3.330 0.023 1.00 52.42 O ATOM 1118 CB PHE A 70 -3.567 -3.722 2.702 1.00 41.53 C ATOM 1119 CG PHE A 70 -2.446 -3.198 3.613 1.00 32.12 C ATOM 1120 CD1 PHE A 70 -2.626 -3.077 4.989 1.00 32.04 C ATOM 1121 CD2 PHE A 70 -1.199 -2.848 3.077 1.00 21.01 C ATOM 1122 CE1 PHE A 70 -1.604 -2.628 5.799 1.00 61.05 C ATOM 1123 CE2 PHE A 70 -0.173 -2.403 3.892 1.00 32.21 C ATOM 1124 CZ PHE A 70 -0.376 -2.294 5.252 1.00 32.15 C ATOM 0 H PHE A 70 -5.952 -3.381 3.827 1.00 71.53 H new ATOM 0 HA PHE A 70 -4.196 -1.702 2.147 1.00 64.22 H new ATOM 0 HB2 PHE A 70 -4.051 -4.564 3.197 1.00 41.53 H new ATOM 0 HB3 PHE A 70 -3.119 -4.105 1.785 1.00 41.53 H new ATOM 0 HD1 PHE A 70 -3.578 -3.338 5.427 1.00 32.04 H new ATOM 0 HD2 PHE A 70 -1.037 -2.927 2.012 1.00 21.01 H new ATOM 0 HE1 PHE A 70 -1.762 -2.536 6.863 1.00 61.05 H new ATOM 0 HE2 PHE A 70 0.784 -2.142 3.465 1.00 32.21 H new ATOM 0 HZ PHE A 70 0.423 -1.948 5.891 1.00 32.15 H new ATOM 1134 N LYS A 71 -6.722 -3.187 1.022 1.00 44.03 N ATOM 1135 CA LYS A 71 -7.522 -3.808 -0.087 1.00 31.12 C ATOM 1136 C LYS A 71 -7.073 -3.333 -1.463 1.00 3.21 C ATOM 1137 O LYS A 71 -6.729 -4.127 -2.323 1.00 13.01 O ATOM 1138 CB LYS A 71 -9.031 -3.484 0.026 1.00 55.23 C ATOM 1139 CG LYS A 71 -9.726 -4.008 1.275 1.00 72.52 C ATOM 1140 CD LYS A 71 -11.265 -3.774 1.277 1.00 22.33 C ATOM 1141 CE LYS A 71 -11.691 -2.281 1.177 1.00 51.24 C ATOM 1142 NZ LYS A 71 -11.613 -1.744 -0.213 1.00 65.24 N ATOM 0 H LYS A 71 -7.297 -2.835 1.787 1.00 44.03 H new ATOM 0 HA LYS A 71 -7.353 -4.880 0.018 1.00 31.12 H new ATOM 0 HB2 LYS A 71 -9.155 -2.402 -0.010 1.00 55.23 H new ATOM 0 HB3 LYS A 71 -9.538 -3.892 -0.848 1.00 55.23 H new ATOM 0 HG2 LYS A 71 -9.529 -5.076 1.369 1.00 72.52 H new ATOM 0 HG3 LYS A 71 -9.293 -3.526 2.151 1.00 72.52 H new ATOM 0 HD2 LYS A 71 -11.704 -4.321 0.442 1.00 22.33 H new ATOM 0 HD3 LYS A 71 -11.683 -4.198 2.190 1.00 22.33 H new ATOM 0 HE2 LYS A 71 -12.712 -2.175 1.545 1.00 51.24 H new ATOM 0 HE3 LYS A 71 -11.054 -1.683 1.828 1.00 51.24 H new ATOM 0 HZ1 LYS A 71 -10.799 -1.101 -0.292 1.00 65.24 H new ATOM 0 HZ2 LYS A 71 -11.498 -2.531 -0.883 1.00 65.24 H new ATOM 0 HZ3 LYS A 71 -12.487 -1.225 -0.434 1.00 65.24 H new ATOM 1156 N ASP A 72 -7.037 -2.018 -1.604 1.00 33.42 N ATOM 1157 CA ASP A 72 -6.838 -1.337 -2.879 1.00 73.21 C ATOM 1158 C ASP A 72 -6.197 0.015 -2.587 1.00 34.05 C ATOM 1159 O ASP A 72 -5.873 0.320 -1.421 1.00 70.25 O ATOM 1160 CB ASP A 72 -8.184 -1.211 -3.649 1.00 70.11 C ATOM 1161 CG ASP A 72 -9.172 -0.235 -2.988 1.00 25.21 C ATOM 1162 OD1 ASP A 72 -9.632 -0.511 -1.854 1.00 14.00 O ATOM 1163 OD2 ASP A 72 -9.483 0.811 -3.590 1.00 32.34 O ATOM 0 H ASP A 72 -7.148 -1.377 -0.818 1.00 33.42 H new ATOM 0 HA ASP A 72 -6.176 -1.908 -3.529 1.00 73.21 H new ATOM 0 HB2 ASP A 72 -7.983 -0.879 -4.668 1.00 70.11 H new ATOM 0 HB3 ASP A 72 -8.648 -2.195 -3.720 1.00 70.11 H new ATOM 1168 N LEU A 73 -5.951 0.801 -3.633 1.00 72.14 N ATOM 1169 CA LEU A 73 -5.188 2.050 -3.505 1.00 53.44 C ATOM 1170 C LEU A 73 -5.961 3.102 -2.697 1.00 21.23 C ATOM 1171 O LEU A 73 -5.365 3.873 -1.930 1.00 23.10 O ATOM 1172 CB LEU A 73 -4.765 2.601 -4.882 1.00 65.25 C ATOM 1173 CG LEU A 73 -3.743 3.780 -4.823 1.00 24.34 C ATOM 1174 CD1 LEU A 73 -2.518 3.392 -3.948 1.00 2.44 C ATOM 1175 CD2 LEU A 73 -3.296 4.206 -6.240 1.00 54.02 C ATOM 0 H LEU A 73 -6.267 0.599 -4.581 1.00 72.14 H new ATOM 0 HA LEU A 73 -4.278 1.816 -2.953 1.00 53.44 H new ATOM 0 HB2 LEU A 73 -4.331 1.789 -5.466 1.00 65.25 H new ATOM 0 HB3 LEU A 73 -5.655 2.935 -5.414 1.00 65.25 H new ATOM 0 HG LEU A 73 -4.239 4.635 -4.364 1.00 24.34 H new ATOM 0 HD11 LEU A 73 -1.815 4.224 -3.917 1.00 2.44 H new ATOM 0 HD12 LEU A 73 -2.852 3.161 -2.936 1.00 2.44 H new ATOM 0 HD13 LEU A 73 -2.027 2.518 -4.376 1.00 2.44 H new ATOM 0 HD21 LEU A 73 -2.585 5.029 -6.165 1.00 54.02 H new ATOM 0 HD22 LEU A 73 -2.823 3.362 -6.741 1.00 54.02 H new ATOM 0 HD23 LEU A 73 -4.165 4.529 -6.814 1.00 54.02 H new ATOM 1187 N ASN A 74 -7.290 3.076 -2.831 1.00 15.43 N ATOM 1188 CA ASN A 74 -8.188 3.990 -2.112 1.00 41.23 C ATOM 1189 C ASN A 74 -8.203 3.651 -0.614 1.00 65.40 C ATOM 1190 O ASN A 74 -8.160 4.555 0.215 1.00 11.43 O ATOM 1191 CB ASN A 74 -9.614 3.930 -2.704 1.00 2.30 C ATOM 1192 CG ASN A 74 -9.654 4.360 -4.169 1.00 60.11 C ATOM 1193 OD1 ASN A 74 -9.810 5.542 -4.473 1.00 32.24 O ATOM 1194 ND2 ASN A 74 -9.490 3.421 -5.091 1.00 34.04 N ATOM 0 H ASN A 74 -7.776 2.420 -3.442 1.00 15.43 H new ATOM 0 HA ASN A 74 -7.817 5.008 -2.231 1.00 41.23 H new ATOM 0 HB2 ASN A 74 -9.999 2.914 -2.616 1.00 2.30 H new ATOM 0 HB3 ASN A 74 -10.274 4.573 -2.121 1.00 2.30 H new ATOM 0 HD21 ASN A 74 -9.491 3.671 -6.080 1.00 34.04 H new ATOM 0 HD22 ASN A 74 -9.363 2.448 -4.811 1.00 34.04 H new ATOM 1201 N ALA A 75 -8.228 2.337 -0.291 1.00 25.00 N ATOM 1202 CA ALA A 75 -8.191 1.848 1.110 1.00 32.32 C ATOM 1203 C ALA A 75 -6.955 2.384 1.872 1.00 25.20 C ATOM 1204 O ALA A 75 -7.067 2.870 3.003 1.00 73.23 O ATOM 1205 CB ALA A 75 -8.224 0.308 1.130 1.00 0.21 C ATOM 0 H ALA A 75 -8.274 1.591 -0.985 1.00 25.00 H new ATOM 0 HA ALA A 75 -9.074 2.228 1.625 1.00 32.32 H new ATOM 0 HB1 ALA A 75 -8.197 -0.043 2.162 1.00 0.21 H new ATOM 0 HB2 ALA A 75 -9.138 -0.043 0.652 1.00 0.21 H new ATOM 0 HB3 ALA A 75 -7.360 -0.081 0.591 1.00 0.21 H new ATOM 1211 N ILE A 76 -5.787 2.313 1.208 1.00 54.34 N ATOM 1212 CA ILE A 76 -4.496 2.753 1.776 1.00 30.23 C ATOM 1213 C ILE A 76 -4.416 4.273 1.862 1.00 62.41 C ATOM 1214 O ILE A 76 -4.010 4.795 2.895 1.00 53.13 O ATOM 1215 CB ILE A 76 -3.277 2.175 0.961 1.00 34.41 C ATOM 1216 CG1 ILE A 76 -3.253 0.620 1.107 1.00 10.20 C ATOM 1217 CG2 ILE A 76 -1.918 2.801 1.412 1.00 72.02 C ATOM 1218 CD1 ILE A 76 -2.124 -0.088 0.394 1.00 22.44 C ATOM 0 H ILE A 76 -5.710 1.948 0.259 1.00 54.34 H new ATOM 0 HA ILE A 76 -4.439 2.354 2.789 1.00 30.23 H new ATOM 0 HB ILE A 76 -3.407 2.441 -0.088 1.00 34.41 H new ATOM 0 HG12 ILE A 76 -3.199 0.374 2.167 1.00 10.20 H new ATOM 0 HG13 ILE A 76 -4.198 0.224 0.735 1.00 10.20 H new ATOM 0 HG21 ILE A 76 -1.107 2.373 0.823 1.00 72.02 H new ATOM 0 HG22 ILE A 76 -1.946 3.880 1.260 1.00 72.02 H new ATOM 0 HG23 ILE A 76 -1.752 2.587 2.468 1.00 72.02 H new ATOM 0 HD11 ILE A 76 -2.204 -1.162 0.562 1.00 22.44 H new ATOM 0 HD12 ILE A 76 -2.183 0.117 -0.675 1.00 22.44 H new ATOM 0 HD13 ILE A 76 -1.169 0.269 0.780 1.00 22.44 H new ATOM 1230 N SER A 77 -4.848 4.984 0.798 1.00 34.54 N ATOM 1231 CA SER A 77 -4.765 6.464 0.751 1.00 42.30 C ATOM 1232 C SER A 77 -5.641 7.131 1.834 1.00 13.22 C ATOM 1233 O SER A 77 -5.418 8.289 2.191 1.00 31.02 O ATOM 1234 CB SER A 77 -5.118 6.979 -0.662 1.00 65.24 C ATOM 1235 OG SER A 77 -6.421 6.592 -1.054 1.00 45.22 O ATOM 0 H SER A 77 -5.256 4.562 -0.036 1.00 34.54 H new ATOM 0 HA SER A 77 -3.735 6.745 0.971 1.00 42.30 H new ATOM 0 HB2 SER A 77 -5.041 8.066 -0.682 1.00 65.24 H new ATOM 0 HB3 SER A 77 -4.394 6.595 -1.380 1.00 65.24 H new ATOM 0 HG SER A 77 -6.764 5.918 -0.431 1.00 45.22 H new ATOM 1241 N ARG A 78 -6.627 6.388 2.359 1.00 43.24 N ATOM 1242 CA ARG A 78 -7.456 6.851 3.482 1.00 54.41 C ATOM 1243 C ARG A 78 -6.789 6.517 4.818 1.00 72.43 C ATOM 1244 O ARG A 78 -6.649 7.391 5.674 1.00 73.43 O ATOM 1245 CB ARG A 78 -8.877 6.244 3.413 1.00 32.50 C ATOM 1246 CG ARG A 78 -9.626 6.564 2.104 1.00 10.12 C ATOM 1247 CD ARG A 78 -9.705 8.068 1.801 1.00 52.04 C ATOM 1248 NE ARG A 78 -10.316 8.326 0.492 1.00 63.45 N ATOM 1249 CZ ARG A 78 -10.855 9.485 0.110 1.00 44.01 C ATOM 1250 NH1 ARG A 78 -10.869 10.529 0.922 1.00 63.52 N ATOM 1251 NH2 ARG A 78 -11.392 9.583 -1.092 1.00 34.54 N ATOM 0 H ARG A 78 -6.871 5.457 2.021 1.00 43.24 H new ATOM 0 HA ARG A 78 -7.551 7.934 3.406 1.00 54.41 H new ATOM 0 HB2 ARG A 78 -8.806 5.162 3.525 1.00 32.50 H new ATOM 0 HB3 ARG A 78 -9.462 6.614 4.255 1.00 32.50 H new ATOM 0 HG2 ARG A 78 -9.128 6.059 1.276 1.00 10.12 H new ATOM 0 HG3 ARG A 78 -10.636 6.159 2.163 1.00 10.12 H new ATOM 0 HD2 ARG A 78 -10.285 8.566 2.578 1.00 52.04 H new ATOM 0 HD3 ARG A 78 -8.704 8.498 1.826 1.00 52.04 H new ATOM 0 HE ARG A 78 -10.330 7.558 -0.179 1.00 63.45 H new ATOM 0 HH11 ARG A 78 -10.464 10.455 1.855 1.00 63.52 H new ATOM 0 HH12 ARG A 78 -11.285 11.408 0.615 1.00 63.52 H new ATOM 0 HH21 ARG A 78 -11.392 8.778 -1.718 1.00 34.54 H new ATOM 0 HH22 ARG A 78 -11.807 10.464 -1.395 1.00 34.54 H new ATOM 1265 N THR A 79 -6.357 5.249 4.967 1.00 32.14 N ATOM 1266 CA THR A 79 -5.759 4.734 6.219 1.00 73.14 C ATOM 1267 C THR A 79 -4.466 5.484 6.588 1.00 3.43 C ATOM 1268 O THR A 79 -4.231 5.783 7.759 1.00 13.33 O ATOM 1269 CB THR A 79 -5.471 3.202 6.111 1.00 63.44 C ATOM 1270 OG1 THR A 79 -6.687 2.521 5.768 1.00 44.25 O ATOM 1271 CG2 THR A 79 -4.908 2.604 7.421 1.00 15.15 C ATOM 0 H THR A 79 -6.412 4.552 4.224 1.00 32.14 H new ATOM 0 HA THR A 79 -6.487 4.905 7.012 1.00 73.14 H new ATOM 0 HB THR A 79 -4.712 3.066 5.341 1.00 63.44 H new ATOM 0 HG1 THR A 79 -6.858 2.620 4.808 1.00 44.25 H new ATOM 0 HG21 THR A 79 -4.727 1.538 7.286 1.00 15.15 H new ATOM 0 HG22 THR A 79 -3.972 3.101 7.675 1.00 15.15 H new ATOM 0 HG23 THR A 79 -5.627 2.751 8.227 1.00 15.15 H new ATOM 1279 N VAL A 80 -3.670 5.819 5.568 1.00 63.11 N ATOM 1280 CA VAL A 80 -2.364 6.472 5.747 1.00 54.35 C ATOM 1281 C VAL A 80 -2.549 7.915 6.274 1.00 51.40 C ATOM 1282 O VAL A 80 -1.720 8.413 7.035 1.00 13.01 O ATOM 1283 CB VAL A 80 -1.530 6.446 4.404 1.00 63.30 C ATOM 1284 CG1 VAL A 80 -2.130 7.372 3.317 1.00 1.34 C ATOM 1285 CG2 VAL A 80 -0.043 6.776 4.645 1.00 54.45 C ATOM 0 H VAL A 80 -3.911 5.646 4.592 1.00 63.11 H new ATOM 0 HA VAL A 80 -1.797 5.914 6.492 1.00 54.35 H new ATOM 0 HB VAL A 80 -1.591 5.424 4.029 1.00 63.30 H new ATOM 0 HG11 VAL A 80 -1.520 7.317 2.415 1.00 1.34 H new ATOM 0 HG12 VAL A 80 -3.146 7.052 3.087 1.00 1.34 H new ATOM 0 HG13 VAL A 80 -2.146 8.399 3.682 1.00 1.34 H new ATOM 0 HG21 VAL A 80 0.494 6.747 3.697 1.00 54.45 H new ATOM 0 HG22 VAL A 80 0.043 7.771 5.081 1.00 54.45 H new ATOM 0 HG23 VAL A 80 0.386 6.043 5.328 1.00 54.45 H new ATOM 1295 N GLU A 81 -3.669 8.562 5.883 1.00 31.43 N ATOM 1296 CA GLU A 81 -4.054 9.895 6.396 1.00 45.30 C ATOM 1297 C GLU A 81 -4.457 9.799 7.869 1.00 33.14 C ATOM 1298 O GLU A 81 -4.080 10.648 8.682 1.00 12.10 O ATOM 1299 CB GLU A 81 -5.221 10.486 5.565 1.00 32.04 C ATOM 1300 CG GLU A 81 -4.859 10.850 4.111 1.00 20.25 C ATOM 1301 CD GLU A 81 -3.749 11.916 4.001 1.00 63.33 C ATOM 1302 OE1 GLU A 81 -3.960 13.060 4.469 1.00 24.04 O ATOM 1303 OE2 GLU A 81 -2.654 11.622 3.473 1.00 51.22 O ATOM 0 H GLU A 81 -4.328 8.177 5.207 1.00 31.43 H new ATOM 0 HA GLU A 81 -3.194 10.558 6.305 1.00 45.30 H new ATOM 0 HB2 GLU A 81 -6.040 9.767 5.552 1.00 32.04 H new ATOM 0 HB3 GLU A 81 -5.590 11.380 6.068 1.00 32.04 H new ATOM 0 HG2 GLU A 81 -4.539 9.949 3.588 1.00 20.25 H new ATOM 0 HG3 GLU A 81 -5.752 11.213 3.603 1.00 20.25 H new ATOM 1310 N GLN A 82 -5.214 8.736 8.189 1.00 72.52 N ATOM 1311 CA GLN A 82 -5.685 8.454 9.562 1.00 55.12 C ATOM 1312 C GLN A 82 -4.499 8.250 10.508 1.00 31.02 C ATOM 1313 O GLN A 82 -4.484 8.765 11.619 1.00 13.04 O ATOM 1314 CB GLN A 82 -6.592 7.199 9.584 1.00 60.44 C ATOM 1315 CG GLN A 82 -7.843 7.292 8.699 1.00 24.33 C ATOM 1316 CD GLN A 82 -8.760 8.451 9.078 1.00 54.42 C ATOM 1317 OE1 GLN A 82 -8.642 9.561 8.551 1.00 51.53 O ATOM 1318 NE2 GLN A 82 -9.663 8.205 10.014 1.00 71.34 N ATOM 0 H GLN A 82 -5.519 8.045 7.504 1.00 72.52 H new ATOM 0 HA GLN A 82 -6.264 9.313 9.900 1.00 55.12 H new ATOM 0 HB2 GLN A 82 -6.004 6.338 9.268 1.00 60.44 H new ATOM 0 HB3 GLN A 82 -6.904 7.012 10.611 1.00 60.44 H new ATOM 0 HG2 GLN A 82 -7.537 7.404 7.659 1.00 24.33 H new ATOM 0 HG3 GLN A 82 -8.400 6.358 8.769 1.00 24.33 H new ATOM 0 HE21 GLN A 82 -9.730 7.274 10.426 1.00 71.34 H new ATOM 0 HE22 GLN A 82 -10.292 8.946 10.323 1.00 71.34 H new ATOM 1327 N LEU A 83 -3.506 7.497 10.023 1.00 71.11 N ATOM 1328 CA LEU A 83 -2.300 7.157 10.791 1.00 63.12 C ATOM 1329 C LEU A 83 -1.405 8.368 11.017 1.00 31.21 C ATOM 1330 O LEU A 83 -0.819 8.491 12.078 1.00 30.41 O ATOM 1331 CB LEU A 83 -1.515 6.031 10.099 1.00 2.22 C ATOM 1332 CG LEU A 83 -2.263 4.675 9.991 1.00 44.22 C ATOM 1333 CD1 LEU A 83 -1.383 3.627 9.316 1.00 43.22 C ATOM 1334 CD2 LEU A 83 -2.754 4.193 11.374 1.00 31.12 C ATOM 0 H LEU A 83 -3.515 7.104 9.082 1.00 71.11 H new ATOM 0 HA LEU A 83 -2.630 6.808 11.769 1.00 63.12 H new ATOM 0 HB2 LEU A 83 -1.246 6.361 9.095 1.00 2.22 H new ATOM 0 HB3 LEU A 83 -0.584 5.872 10.642 1.00 2.22 H new ATOM 0 HG LEU A 83 -3.145 4.824 9.369 1.00 44.22 H new ATOM 0 HD11 LEU A 83 -1.926 2.684 9.250 1.00 43.22 H new ATOM 0 HD12 LEU A 83 -1.119 3.965 8.314 1.00 43.22 H new ATOM 0 HD13 LEU A 83 -0.475 3.483 9.901 1.00 43.22 H new ATOM 0 HD21 LEU A 83 -3.274 3.241 11.264 1.00 31.12 H new ATOM 0 HD22 LEU A 83 -1.900 4.065 12.039 1.00 31.12 H new ATOM 0 HD23 LEU A 83 -3.435 4.932 11.796 1.00 31.12 H new ATOM 1346 N LYS A 84 -1.297 9.255 10.013 1.00 40.25 N ATOM 1347 CA LYS A 84 -0.544 10.526 10.165 1.00 4.02 C ATOM 1348 C LYS A 84 -1.292 11.508 11.088 1.00 70.43 C ATOM 1349 O LYS A 84 -0.671 12.369 11.711 1.00 64.34 O ATOM 1350 CB LYS A 84 -0.231 11.162 8.783 1.00 72.43 C ATOM 1351 CG LYS A 84 0.719 10.306 7.919 1.00 20.04 C ATOM 1352 CD LYS A 84 1.147 10.959 6.578 1.00 4.33 C ATOM 1353 CE LYS A 84 0.003 11.099 5.550 1.00 42.32 C ATOM 1354 NZ LYS A 84 -0.927 12.218 5.859 1.00 35.11 N ATOM 0 H LYS A 84 -1.715 9.123 9.092 1.00 40.25 H new ATOM 0 HA LYS A 84 0.410 10.296 10.639 1.00 4.02 H new ATOM 0 HB2 LYS A 84 -1.164 11.315 8.241 1.00 72.43 H new ATOM 0 HB3 LYS A 84 0.214 12.145 8.936 1.00 72.43 H new ATOM 0 HG2 LYS A 84 1.614 10.083 8.500 1.00 20.04 H new ATOM 0 HG3 LYS A 84 0.233 9.354 7.704 1.00 20.04 H new ATOM 0 HD2 LYS A 84 1.559 11.947 6.783 1.00 4.33 H new ATOM 0 HD3 LYS A 84 1.947 10.365 6.136 1.00 4.33 H new ATOM 0 HE2 LYS A 84 0.430 11.253 4.559 1.00 42.32 H new ATOM 0 HE3 LYS A 84 -0.560 10.166 5.513 1.00 42.32 H new ATOM 0 HZ1 LYS A 84 -1.285 12.627 4.972 1.00 35.11 H new ATOM 0 HZ2 LYS A 84 -1.725 11.861 6.422 1.00 35.11 H new ATOM 0 HZ3 LYS A 84 -0.422 12.950 6.399 1.00 35.11 H new ATOM 1368 N ALA A 85 -2.620 11.340 11.190 1.00 43.13 N ATOM 1369 CA ALA A 85 -3.465 12.120 12.111 1.00 52.14 C ATOM 1370 C ALA A 85 -3.238 11.663 13.563 1.00 23.03 C ATOM 1371 O ALA A 85 -3.126 12.485 14.476 1.00 63.42 O ATOM 1372 CB ALA A 85 -4.943 11.978 11.718 1.00 31.32 C ATOM 0 H ALA A 85 -3.140 10.659 10.636 1.00 43.13 H new ATOM 0 HA ALA A 85 -3.189 13.172 12.039 1.00 52.14 H new ATOM 0 HB1 ALA A 85 -5.559 12.558 12.405 1.00 31.32 H new ATOM 0 HB2 ALA A 85 -5.086 12.346 10.702 1.00 31.32 H new ATOM 0 HB3 ALA A 85 -5.234 10.929 11.768 1.00 31.32 H new ATOM 1378 N GLU A 86 -3.158 10.332 13.751 1.00 13.04 N ATOM 1379 CA GLU A 86 -2.924 9.713 15.072 1.00 53.42 C ATOM 1380 C GLU A 86 -1.488 9.978 15.558 1.00 32.33 C ATOM 1381 O GLU A 86 -1.262 10.388 16.699 1.00 54.13 O ATOM 1382 CB GLU A 86 -3.187 8.189 14.981 1.00 52.14 C ATOM 1383 CG GLU A 86 -4.648 7.798 14.672 1.00 52.20 C ATOM 1384 CD GLU A 86 -5.647 8.341 15.705 1.00 12.10 C ATOM 1385 OE1 GLU A 86 -5.674 7.827 16.844 1.00 31.45 O ATOM 1386 OE2 GLU A 86 -6.392 9.298 15.400 1.00 44.32 O ATOM 0 H GLU A 86 -3.253 9.656 12.994 1.00 13.04 H new ATOM 0 HA GLU A 86 -3.609 10.158 15.794 1.00 53.42 H new ATOM 0 HB2 GLU A 86 -2.543 7.770 14.208 1.00 52.14 H new ATOM 0 HB3 GLU A 86 -2.895 7.728 15.924 1.00 52.14 H new ATOM 0 HG2 GLU A 86 -4.917 8.171 13.684 1.00 52.20 H new ATOM 0 HG3 GLU A 86 -4.727 6.712 14.635 1.00 52.20 H new