USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 591 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 1 MET N :NH3+ -123:sc= -0.0735 (180deg=-4.91!) USER MOD Set 1.2: A 63 SER OG : rot 170:sc= 0.237 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -137:sc= -0.0955 (180deg=-1.18) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.00597 X(o=0.006,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.0156 X(o=-0.016,f=-0.059) USER MOD Single : A 16 THR OG1 : rot -59:sc= 0.867 USER MOD Single : A 17 SER OG : rot -64:sc= 0.552 USER MOD Single : A 19 THR OG1 : rot -139:sc= 0.0194 USER MOD Single : A 22 ASN : amide:sc= -0.0513 X(o=-0.051,f=-0.55) USER MOD Single : A 23 THR OG1 : rot -40:sc= 0.831 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -67:sc= 1.06 USER MOD Single : A 40 ASN : amide:sc= -1.07 X(o=-1.1,f=-1) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.661 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -80:sc= -0.145 USER MOD Single : A 69 HIS : no HD1:sc= -5.04! C(o=-5!,f=-5.7!) USER MOD Single : A 70 MET CE :methyl 176:sc= 0 (180deg=-0.0126) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.693 0.148 -0.239 1.00 65.03 N ATOM 2 CA MET A 1 1.488 0.130 -1.462 1.00 71.31 C ATOM 3 C MET A 1 0.956 -0.913 -2.440 1.00 51.45 C ATOM 4 O MET A 1 0.484 -0.575 -3.527 1.00 65.23 O ATOM 5 CB MET A 1 2.955 -0.159 -1.138 1.00 71.44 C ATOM 6 CG MET A 1 3.925 0.384 -2.175 1.00 75.24 C ATOM 7 SD MET A 1 5.640 0.318 -1.624 1.00 70.31 S ATOM 8 CE MET A 1 6.046 -1.389 -1.985 1.00 30.14 C ATOM 0 H1 MET A 1 0.316 1.105 -0.084 1.00 65.03 H new ATOM 0 H2 MET A 1 -0.096 -0.524 -0.328 1.00 65.03 H new ATOM 0 H3 MET A 1 1.291 -0.124 0.568 1.00 65.03 H new ATOM 0 HA MET A 1 1.414 1.112 -1.929 1.00 71.31 H new ATOM 0 HB2 MET A 1 3.196 0.272 -0.166 1.00 71.44 H new ATOM 0 HB3 MET A 1 3.094 -1.237 -1.052 1.00 71.44 H new ATOM 0 HG2 MET A 1 3.822 -0.187 -3.098 1.00 75.24 H new ATOM 0 HG3 MET A 1 3.662 1.416 -2.408 1.00 75.24 H new ATOM 0 HE1 MET A 1 7.079 -1.586 -1.699 1.00 30.14 H new ATOM 0 HE2 MET A 1 5.382 -2.047 -1.424 1.00 30.14 H new ATOM 0 HE3 MET A 1 5.924 -1.574 -3.052 1.00 30.14 H new ATOM 18 N LEU A 2 1.035 -2.180 -2.049 1.00 14.52 N ATOM 19 CA LEU A 2 0.561 -3.272 -2.892 1.00 10.12 C ATOM 20 C LEU A 2 -0.733 -3.863 -2.341 1.00 62.11 C ATOM 21 O LEU A 2 -0.763 -4.390 -1.228 1.00 0.30 O ATOM 22 CB LEU A 2 1.629 -4.362 -2.996 1.00 42.33 C ATOM 23 CG LEU A 2 1.235 -5.616 -3.778 1.00 13.44 C ATOM 24 CD1 LEU A 2 2.387 -6.084 -4.653 1.00 11.41 C ATOM 25 CD2 LEU A 2 0.801 -6.722 -2.827 1.00 1.11 C ATOM 0 H LEU A 2 1.423 -2.477 -1.153 1.00 14.52 H new ATOM 0 HA LEU A 2 0.361 -2.871 -3.886 1.00 10.12 H new ATOM 0 HB2 LEU A 2 2.515 -3.931 -3.462 1.00 42.33 H new ATOM 0 HB3 LEU A 2 1.913 -4.662 -1.987 1.00 42.33 H new ATOM 0 HG LEU A 2 0.393 -5.368 -4.425 1.00 13.44 H new ATOM 0 HD11 LEU A 2 2.088 -6.977 -5.202 1.00 11.41 H new ATOM 0 HD12 LEU A 2 2.651 -5.296 -5.359 1.00 11.41 H new ATOM 0 HD13 LEU A 2 3.249 -6.315 -4.027 1.00 11.41 H new ATOM 0 HD21 LEU A 2 0.524 -7.607 -3.400 1.00 1.11 H new ATOM 0 HD22 LEU A 2 1.623 -6.968 -2.155 1.00 1.11 H new ATOM 0 HD23 LEU A 2 -0.056 -6.385 -2.244 1.00 1.11 H new ATOM 37 N LEU A 3 -1.799 -3.775 -3.128 1.00 54.30 N ATOM 38 CA LEU A 3 -3.097 -4.303 -2.721 1.00 23.14 C ATOM 39 C LEU A 3 -3.802 -4.979 -3.892 1.00 42.23 C ATOM 40 O LEU A 3 -3.619 -4.593 -5.047 1.00 61.42 O ATOM 41 CB LEU A 3 -3.973 -3.181 -2.161 1.00 74.41 C ATOM 42 CG LEU A 3 -4.595 -2.238 -3.192 1.00 30.04 C ATOM 43 CD1 LEU A 3 -5.717 -1.426 -2.563 1.00 71.15 C ATOM 44 CD2 LEU A 3 -3.535 -1.319 -3.781 1.00 60.22 C ATOM 0 H LEU A 3 -1.791 -3.343 -4.052 1.00 54.30 H new ATOM 0 HA LEU A 3 -2.931 -5.048 -1.943 1.00 23.14 H new ATOM 0 HB2 LEU A 3 -4.777 -3.631 -1.578 1.00 74.41 H new ATOM 0 HB3 LEU A 3 -3.372 -2.588 -1.471 1.00 74.41 H new ATOM 0 HG LEU A 3 -5.016 -2.838 -3.999 1.00 30.04 H new ATOM 0 HD11 LEU A 3 -6.148 -0.761 -3.311 1.00 71.15 H new ATOM 0 HD12 LEU A 3 -6.488 -2.100 -2.189 1.00 71.15 H new ATOM 0 HD13 LEU A 3 -5.320 -0.835 -1.738 1.00 71.15 H new ATOM 0 HD21 LEU A 3 -3.995 -0.655 -4.513 1.00 60.22 H new ATOM 0 HD22 LEU A 3 -3.085 -0.726 -2.985 1.00 60.22 H new ATOM 0 HD23 LEU A 3 -2.765 -1.917 -4.268 1.00 60.22 H new ATOM 56 N LYS A 4 -4.610 -5.988 -3.587 1.00 54.02 N ATOM 57 CA LYS A 4 -5.347 -6.716 -4.613 1.00 61.25 C ATOM 58 C LYS A 4 -6.838 -6.404 -4.538 1.00 41.53 C ATOM 59 O LYS A 4 -7.513 -6.778 -3.580 1.00 14.14 O ATOM 60 CB LYS A 4 -5.122 -8.222 -4.460 1.00 34.23 C ATOM 61 CG LYS A 4 -6.042 -9.066 -5.326 1.00 45.31 C ATOM 62 CD LYS A 4 -5.558 -10.503 -5.418 1.00 25.25 C ATOM 63 CE LYS A 4 -4.575 -10.689 -6.564 1.00 11.42 C ATOM 64 NZ LYS A 4 -4.729 -12.019 -7.216 1.00 45.41 N ATOM 0 H LYS A 4 -4.771 -6.321 -2.636 1.00 54.02 H new ATOM 0 HA LYS A 4 -4.976 -6.396 -5.587 1.00 61.25 H new ATOM 0 HB2 LYS A 4 -4.087 -8.454 -4.711 1.00 34.23 H new ATOM 0 HB3 LYS A 4 -5.266 -8.498 -3.415 1.00 34.23 H new ATOM 0 HG2 LYS A 4 -7.051 -9.047 -4.913 1.00 45.31 H new ATOM 0 HG3 LYS A 4 -6.098 -8.635 -6.326 1.00 45.31 H new ATOM 0 HD2 LYS A 4 -5.082 -10.788 -4.480 1.00 25.25 H new ATOM 0 HD3 LYS A 4 -6.411 -11.167 -5.558 1.00 25.25 H new ATOM 0 HE2 LYS A 4 -4.726 -9.902 -7.303 1.00 11.42 H new ATOM 0 HE3 LYS A 4 -3.557 -10.584 -6.190 1.00 11.42 H new ATOM 0 HZ1 LYS A 4 -3.790 -12.427 -7.399 1.00 45.41 H new ATOM 0 HZ2 LYS A 4 -5.265 -12.653 -6.590 1.00 45.41 H new ATOM 0 HZ3 LYS A 4 -5.239 -11.908 -8.115 1.00 45.41 H new ATOM 78 N VAL A 5 -7.346 -5.716 -5.556 1.00 60.24 N ATOM 79 CA VAL A 5 -8.758 -5.356 -5.607 1.00 2.33 C ATOM 80 C VAL A 5 -9.532 -6.294 -6.525 1.00 73.32 C ATOM 81 O VAL A 5 -9.160 -6.498 -7.681 1.00 3.51 O ATOM 82 CB VAL A 5 -8.950 -3.906 -6.092 1.00 31.55 C ATOM 83 CG1 VAL A 5 -8.306 -2.929 -5.121 1.00 4.41 C ATOM 84 CG2 VAL A 5 -8.381 -3.734 -7.492 1.00 13.32 C ATOM 0 H VAL A 5 -6.800 -5.397 -6.357 1.00 60.24 H new ATOM 0 HA VAL A 5 -9.144 -5.446 -4.592 1.00 2.33 H new ATOM 0 HB VAL A 5 -10.018 -3.691 -6.130 1.00 31.55 H new ATOM 0 HG11 VAL A 5 -8.452 -1.910 -5.480 1.00 4.41 H new ATOM 0 HG12 VAL A 5 -8.765 -3.037 -4.138 1.00 4.41 H new ATOM 0 HG13 VAL A 5 -7.239 -3.139 -5.048 1.00 4.41 H new ATOM 0 HG21 VAL A 5 -8.525 -2.704 -7.819 1.00 13.32 H new ATOM 0 HG22 VAL A 5 -7.316 -3.966 -7.483 1.00 13.32 H new ATOM 0 HG23 VAL A 5 -8.894 -4.408 -8.178 1.00 13.32 H new ATOM 94 N LYS A 6 -10.613 -6.865 -6.004 1.00 12.52 N ATOM 95 CA LYS A 6 -11.443 -7.781 -6.776 1.00 73.13 C ATOM 96 C LYS A 6 -12.910 -7.365 -6.721 1.00 22.31 C ATOM 97 O LYS A 6 -13.502 -7.278 -5.644 1.00 65.53 O ATOM 98 CB LYS A 6 -11.287 -9.210 -6.250 1.00 51.24 C ATOM 99 CG LYS A 6 -11.532 -9.338 -4.757 1.00 22.22 C ATOM 100 CD LYS A 6 -10.453 -10.172 -4.085 1.00 15.53 C ATOM 101 CE LYS A 6 -10.879 -11.625 -3.945 1.00 24.21 C ATOM 102 NZ LYS A 6 -9.834 -12.447 -3.273 1.00 45.45 N ATOM 0 H LYS A 6 -10.935 -6.709 -5.049 1.00 12.52 H new ATOM 0 HA LYS A 6 -11.112 -7.744 -7.814 1.00 73.13 H new ATOM 0 HB2 LYS A 6 -11.981 -9.861 -6.781 1.00 51.24 H new ATOM 0 HB3 LYS A 6 -10.281 -9.564 -6.476 1.00 51.24 H new ATOM 0 HG2 LYS A 6 -11.561 -8.346 -4.306 1.00 22.22 H new ATOM 0 HG3 LYS A 6 -12.507 -9.795 -4.585 1.00 22.22 H new ATOM 0 HD2 LYS A 6 -9.533 -10.116 -4.667 1.00 15.53 H new ATOM 0 HD3 LYS A 6 -10.233 -9.760 -3.100 1.00 15.53 H new ATOM 0 HE2 LYS A 6 -11.806 -11.678 -3.374 1.00 24.21 H new ATOM 0 HE3 LYS A 6 -11.088 -12.039 -4.931 1.00 24.21 H new ATOM 0 HZ1 LYS A 6 -10.162 -13.431 -3.197 1.00 45.45 H new ATOM 0 HZ2 LYS A 6 -8.957 -12.417 -3.831 1.00 45.45 H new ATOM 0 HZ3 LYS A 6 -9.652 -12.068 -2.322 1.00 45.45 H new ATOM 116 N THR A 7 -13.493 -7.110 -7.888 1.00 64.13 N ATOM 117 CA THR A 7 -14.890 -6.704 -7.972 1.00 43.15 C ATOM 118 C THR A 7 -15.813 -7.916 -8.016 1.00 10.04 C ATOM 119 O THR A 7 -15.359 -9.050 -8.172 1.00 51.43 O ATOM 120 CB THR A 7 -15.147 -5.832 -9.216 1.00 13.01 C ATOM 121 OG1 THR A 7 -13.907 -5.341 -9.736 1.00 25.42 O ATOM 122 CG2 THR A 7 -16.059 -4.662 -8.877 1.00 61.22 C ATOM 0 H THR A 7 -13.019 -7.178 -8.789 1.00 64.13 H new ATOM 0 HA THR A 7 -15.104 -6.120 -7.077 1.00 43.15 H new ATOM 0 HB THR A 7 -15.637 -6.449 -9.969 1.00 13.01 H new ATOM 0 HG1 THR A 7 -14.080 -4.789 -10.527 1.00 25.42 H new ATOM 0 HG21 THR A 7 -16.226 -4.060 -9.770 1.00 61.22 H new ATOM 0 HG22 THR A 7 -17.013 -5.039 -8.509 1.00 61.22 H new ATOM 0 HG23 THR A 7 -15.591 -4.047 -8.108 1.00 61.22 H new ATOM 130 N VAL A 8 -17.112 -7.670 -7.876 1.00 61.03 N ATOM 131 CA VAL A 8 -18.100 -8.742 -7.901 1.00 40.14 C ATOM 132 C VAL A 8 -18.160 -9.402 -9.274 1.00 51.13 C ATOM 133 O VAL A 8 -18.758 -10.466 -9.437 1.00 44.23 O ATOM 134 CB VAL A 8 -19.502 -8.222 -7.532 1.00 41.42 C ATOM 135 CG1 VAL A 8 -20.008 -7.252 -8.590 1.00 24.51 C ATOM 136 CG2 VAL A 8 -20.470 -9.381 -7.353 1.00 70.33 C ATOM 0 H VAL A 8 -17.504 -6.738 -7.744 1.00 61.03 H new ATOM 0 HA VAL A 8 -17.787 -9.478 -7.160 1.00 40.14 H new ATOM 0 HB VAL A 8 -19.434 -7.686 -6.585 1.00 41.42 H new ATOM 0 HG11 VAL A 8 -21.000 -6.895 -8.312 1.00 24.51 H new ATOM 0 HG12 VAL A 8 -19.325 -6.405 -8.664 1.00 24.51 H new ATOM 0 HG13 VAL A 8 -20.062 -7.760 -9.553 1.00 24.51 H new ATOM 0 HG21 VAL A 8 -21.456 -8.995 -7.093 1.00 70.33 H new ATOM 0 HG22 VAL A 8 -20.536 -9.947 -8.282 1.00 70.33 H new ATOM 0 HG23 VAL A 8 -20.113 -10.033 -6.556 1.00 70.33 H new ATOM 146 N SER A 9 -17.537 -8.764 -10.259 1.00 44.35 N ATOM 147 CA SER A 9 -17.522 -9.287 -11.620 1.00 63.14 C ATOM 148 C SER A 9 -16.340 -10.230 -11.827 1.00 11.10 C ATOM 149 O SER A 9 -16.013 -10.594 -12.955 1.00 45.04 O ATOM 150 CB SER A 9 -17.456 -8.140 -12.630 1.00 43.41 C ATOM 151 OG SER A 9 -18.746 -7.816 -13.119 1.00 2.41 O ATOM 0 H SER A 9 -17.036 -7.884 -10.140 1.00 44.35 H new ATOM 0 HA SER A 9 -18.444 -9.847 -11.777 1.00 63.14 H new ATOM 0 HB2 SER A 9 -17.011 -7.263 -12.160 1.00 43.41 H new ATOM 0 HB3 SER A 9 -16.808 -8.420 -13.461 1.00 43.41 H new ATOM 0 HG SER A 9 -18.677 -7.079 -13.761 1.00 2.41 H new ATOM 157 N ASN A 10 -15.704 -10.621 -10.727 1.00 51.04 N ATOM 158 CA ASN A 10 -14.558 -11.521 -10.787 1.00 0.04 C ATOM 159 C ASN A 10 -13.367 -10.842 -11.455 1.00 42.42 C ATOM 160 O ASN A 10 -12.589 -11.482 -12.162 1.00 65.22 O ATOM 161 CB ASN A 10 -14.924 -12.797 -11.547 1.00 32.33 C ATOM 162 CG ASN A 10 -14.494 -14.052 -10.811 1.00 52.21 C ATOM 163 OD1 ASN A 10 -15.319 -14.903 -10.478 1.00 0.12 O ATOM 164 ND2 ASN A 10 -13.197 -14.171 -10.554 1.00 62.51 N ATOM 0 H ASN A 10 -15.963 -10.329 -9.785 1.00 51.04 H new ATOM 0 HA ASN A 10 -14.279 -11.782 -9.766 1.00 0.04 H new ATOM 0 HB2 ASN A 10 -16.002 -12.825 -11.708 1.00 32.33 H new ATOM 0 HB3 ASN A 10 -14.456 -12.778 -12.531 1.00 32.33 H new ATOM 0 HD21 ASN A 10 -12.848 -14.993 -10.062 1.00 62.51 H new ATOM 0 HD22 ASN A 10 -12.549 -13.440 -10.849 1.00 62.51 H new ATOM 171 N LYS A 11 -13.230 -9.540 -11.226 1.00 51.15 N ATOM 172 CA LYS A 11 -12.133 -8.772 -11.804 1.00 74.11 C ATOM 173 C LYS A 11 -11.091 -8.430 -10.744 1.00 14.30 C ATOM 174 O LYS A 11 -11.189 -7.402 -10.073 1.00 23.45 O ATOM 175 CB LYS A 11 -12.665 -7.488 -12.445 1.00 63.25 C ATOM 176 CG LYS A 11 -13.433 -7.725 -13.734 1.00 41.02 C ATOM 177 CD LYS A 11 -13.749 -6.419 -14.443 1.00 43.32 C ATOM 178 CE LYS A 11 -14.153 -6.654 -15.890 1.00 54.44 C ATOM 179 NZ LYS A 11 -13.931 -5.445 -16.732 1.00 31.23 N ATOM 0 H LYS A 11 -13.865 -8.994 -10.644 1.00 51.15 H new ATOM 0 HA LYS A 11 -11.658 -9.384 -12.571 1.00 74.11 H new ATOM 0 HB2 LYS A 11 -13.315 -6.979 -11.733 1.00 63.25 H new ATOM 0 HB3 LYS A 11 -11.828 -6.819 -12.648 1.00 63.25 H new ATOM 0 HG2 LYS A 11 -12.849 -8.366 -14.394 1.00 41.02 H new ATOM 0 HG3 LYS A 11 -14.360 -8.254 -13.514 1.00 41.02 H new ATOM 0 HD2 LYS A 11 -14.554 -5.905 -13.918 1.00 43.32 H new ATOM 0 HD3 LYS A 11 -12.878 -5.765 -14.409 1.00 43.32 H new ATOM 0 HE2 LYS A 11 -13.581 -7.489 -16.296 1.00 54.44 H new ATOM 0 HE3 LYS A 11 -15.205 -6.938 -15.932 1.00 54.44 H new ATOM 0 HZ1 LYS A 11 -14.219 -5.646 -17.711 1.00 31.23 H new ATOM 0 HZ2 LYS A 11 -14.496 -4.655 -16.361 1.00 31.23 H new ATOM 0 HZ3 LYS A 11 -12.923 -5.189 -16.713 1.00 31.23 H new ATOM 193 N VAL A 12 -10.094 -9.296 -10.600 1.00 23.13 N ATOM 194 CA VAL A 12 -9.032 -9.084 -9.623 1.00 51.11 C ATOM 195 C VAL A 12 -7.841 -8.370 -10.252 1.00 71.15 C ATOM 196 O VAL A 12 -7.396 -8.728 -11.344 1.00 11.45 O ATOM 197 CB VAL A 12 -8.555 -10.416 -9.014 1.00 51.12 C ATOM 198 CG1 VAL A 12 -7.491 -10.169 -7.956 1.00 10.42 C ATOM 199 CG2 VAL A 12 -9.730 -11.186 -8.431 1.00 13.42 C ATOM 0 H VAL A 12 -9.999 -10.151 -11.147 1.00 23.13 H new ATOM 0 HA VAL A 12 -9.450 -8.461 -8.832 1.00 51.11 H new ATOM 0 HB VAL A 12 -8.112 -11.020 -9.806 1.00 51.12 H new ATOM 0 HG11 VAL A 12 -7.166 -11.122 -7.537 1.00 10.42 H new ATOM 0 HG12 VAL A 12 -6.639 -9.662 -8.409 1.00 10.42 H new ATOM 0 HG13 VAL A 12 -7.904 -9.546 -7.163 1.00 10.42 H new ATOM 0 HG21 VAL A 12 -9.375 -12.124 -8.005 1.00 13.42 H new ATOM 0 HG22 VAL A 12 -10.205 -10.590 -7.651 1.00 13.42 H new ATOM 0 HG23 VAL A 12 -10.454 -11.396 -9.218 1.00 13.42 H new ATOM 209 N ILE A 13 -7.329 -7.360 -9.558 1.00 11.24 N ATOM 210 CA ILE A 13 -6.188 -6.597 -10.048 1.00 12.40 C ATOM 211 C ILE A 13 -5.150 -6.393 -8.950 1.00 31.12 C ATOM 212 O ILE A 13 -5.440 -5.799 -7.912 1.00 23.35 O ATOM 213 CB ILE A 13 -6.622 -5.222 -10.590 1.00 43.13 C ATOM 214 CG1 ILE A 13 -7.685 -5.390 -11.677 1.00 73.32 C ATOM 215 CG2 ILE A 13 -5.419 -4.463 -11.131 1.00 53.22 C ATOM 216 CD1 ILE A 13 -7.200 -6.165 -12.882 1.00 72.14 C ATOM 0 H ILE A 13 -7.686 -7.051 -8.654 1.00 11.24 H new ATOM 0 HA ILE A 13 -5.746 -7.176 -10.859 1.00 12.40 H new ATOM 0 HB ILE A 13 -7.054 -4.645 -9.772 1.00 43.13 H new ATOM 0 HG12 ILE A 13 -8.550 -5.899 -11.252 1.00 73.32 H new ATOM 0 HG13 ILE A 13 -8.021 -4.405 -12.000 1.00 73.32 H new ATOM 0 HG21 ILE A 13 -5.741 -3.493 -11.511 1.00 53.22 H new ATOM 0 HG22 ILE A 13 -4.692 -4.317 -10.332 1.00 53.22 H new ATOM 0 HG23 ILE A 13 -4.961 -5.035 -11.938 1.00 53.22 H new ATOM 0 HD11 ILE A 13 -8.006 -6.245 -13.612 1.00 72.14 H new ATOM 0 HD12 ILE A 13 -6.354 -5.646 -13.332 1.00 72.14 H new ATOM 0 HD13 ILE A 13 -6.891 -7.163 -12.572 1.00 72.14 H new ATOM 228 N GLN A 14 -3.940 -6.888 -9.188 1.00 21.41 N ATOM 229 CA GLN A 14 -2.858 -6.760 -8.219 1.00 10.42 C ATOM 230 C GLN A 14 -1.883 -5.662 -8.634 1.00 35.33 C ATOM 231 O GLN A 14 -1.184 -5.788 -9.639 1.00 25.11 O ATOM 232 CB GLN A 14 -2.116 -8.089 -8.072 1.00 45.20 C ATOM 233 CG GLN A 14 -1.643 -8.671 -9.394 1.00 70.04 C ATOM 234 CD GLN A 14 -0.150 -8.933 -9.416 1.00 71.25 C ATOM 235 OE1 GLN A 14 0.648 -8.076 -9.037 1.00 41.20 O ATOM 236 NE2 GLN A 14 0.236 -10.123 -9.862 1.00 72.20 N ATOM 0 H GLN A 14 -3.684 -7.381 -10.043 1.00 21.41 H new ATOM 0 HA GLN A 14 -3.295 -6.489 -7.258 1.00 10.42 H new ATOM 0 HB2 GLN A 14 -1.255 -7.945 -7.419 1.00 45.20 H new ATOM 0 HB3 GLN A 14 -2.771 -8.809 -7.581 1.00 45.20 H new ATOM 0 HG2 GLN A 14 -2.174 -9.603 -9.587 1.00 70.04 H new ATOM 0 HG3 GLN A 14 -1.899 -7.985 -10.201 1.00 70.04 H new ATOM 0 HE21 GLN A 14 -0.460 -10.804 -10.166 1.00 72.20 H new ATOM 0 HE22 GLN A 14 1.228 -10.356 -9.900 1.00 72.20 H new ATOM 245 N ILE A 15 -1.844 -4.587 -7.854 1.00 22.32 N ATOM 246 CA ILE A 15 -0.954 -3.469 -8.140 1.00 54.44 C ATOM 247 C ILE A 15 0.092 -3.304 -7.044 1.00 4.42 C ATOM 248 O ILE A 15 -0.125 -3.697 -5.897 1.00 71.33 O ATOM 249 CB ILE A 15 -1.737 -2.151 -8.290 1.00 13.25 C ATOM 250 CG1 ILE A 15 -2.144 -1.616 -6.915 1.00 54.41 C ATOM 251 CG2 ILE A 15 -2.963 -2.359 -9.167 1.00 64.10 C ATOM 252 CD1 ILE A 15 -3.083 -0.431 -6.982 1.00 4.14 C ATOM 0 H ILE A 15 -2.418 -4.467 -7.020 1.00 22.32 H new ATOM 0 HA ILE A 15 -0.456 -3.696 -9.082 1.00 54.44 H new ATOM 0 HB ILE A 15 -1.092 -1.415 -8.770 1.00 13.25 H new ATOM 0 HG12 ILE A 15 -2.621 -2.416 -6.349 1.00 54.41 H new ATOM 0 HG13 ILE A 15 -1.247 -1.328 -6.366 1.00 54.41 H new ATOM 0 HG21 ILE A 15 -3.505 -1.418 -9.263 1.00 64.10 H new ATOM 0 HG22 ILE A 15 -2.651 -2.700 -10.154 1.00 64.10 H new ATOM 0 HG23 ILE A 15 -3.612 -3.108 -8.713 1.00 64.10 H new ATOM 0 HD11 ILE A 15 -3.329 -0.104 -5.972 1.00 4.14 H new ATOM 0 HD12 ILE A 15 -2.601 0.385 -7.520 1.00 4.14 H new ATOM 0 HD13 ILE A 15 -3.996 -0.719 -7.503 1.00 4.14 H new ATOM 264 N THR A 16 1.230 -2.717 -7.403 1.00 2.14 N ATOM 265 CA THR A 16 2.311 -2.499 -6.450 1.00 1.52 C ATOM 266 C THR A 16 2.802 -1.056 -6.496 1.00 62.24 C ATOM 267 O THR A 16 3.974 -0.798 -6.771 1.00 1.14 O ATOM 268 CB THR A 16 3.498 -3.442 -6.721 1.00 41.00 C ATOM 269 OG1 THR A 16 4.582 -3.132 -5.839 1.00 2.55 O ATOM 270 CG2 THR A 16 3.963 -3.325 -8.165 1.00 24.23 C ATOM 0 H THR A 16 1.426 -2.384 -8.347 1.00 2.14 H new ATOM 0 HA THR A 16 1.907 -2.711 -5.460 1.00 1.52 H new ATOM 0 HB THR A 16 3.168 -4.466 -6.544 1.00 41.00 H new ATOM 0 HG1 THR A 16 4.860 -2.202 -5.976 1.00 2.55 H new ATOM 0 HG21 THR A 16 4.802 -4.000 -8.333 1.00 24.23 H new ATOM 0 HG22 THR A 16 3.144 -3.591 -8.834 1.00 24.23 H new ATOM 0 HG23 THR A 16 4.276 -2.300 -8.364 1.00 24.23 H new ATOM 278 N SER A 17 1.899 -0.119 -6.226 1.00 72.33 N ATOM 279 CA SER A 17 2.240 1.298 -6.241 1.00 10.44 C ATOM 280 C SER A 17 1.058 2.146 -5.780 1.00 3.24 C ATOM 281 O SER A 17 0.257 2.610 -6.592 1.00 62.12 O ATOM 282 CB SER A 17 2.672 1.726 -7.644 1.00 45.43 C ATOM 283 OG SER A 17 2.481 3.117 -7.835 1.00 2.51 O ATOM 0 H SER A 17 0.925 -0.316 -5.994 1.00 72.33 H new ATOM 0 HA SER A 17 3.069 1.454 -5.550 1.00 10.44 H new ATOM 0 HB2 SER A 17 3.722 1.476 -7.797 1.00 45.43 H new ATOM 0 HB3 SER A 17 2.101 1.172 -8.389 1.00 45.43 H new ATOM 0 HG SER A 17 1.525 3.326 -7.786 1.00 2.51 H new ATOM 289 N LEU A 18 0.956 2.345 -4.470 1.00 61.41 N ATOM 290 CA LEU A 18 -0.127 3.137 -3.899 1.00 34.25 C ATOM 291 C LEU A 18 0.384 4.490 -3.414 1.00 61.32 C ATOM 292 O LEU A 18 1.565 4.644 -3.100 1.00 71.32 O ATOM 293 CB LEU A 18 -0.782 2.382 -2.740 1.00 65.42 C ATOM 294 CG LEU A 18 -2.308 2.304 -2.767 1.00 34.23 C ATOM 295 CD1 LEU A 18 -2.792 1.761 -4.103 1.00 10.44 C ATOM 296 CD2 LEU A 18 -2.818 1.440 -1.622 1.00 54.32 C ATOM 0 H LEU A 18 1.610 1.969 -3.784 1.00 61.41 H new ATOM 0 HA LEU A 18 -0.869 3.308 -4.679 1.00 34.25 H new ATOM 0 HB2 LEU A 18 -0.387 1.366 -2.725 1.00 65.42 H new ATOM 0 HB3 LEU A 18 -0.479 2.856 -1.806 1.00 65.42 H new ATOM 0 HG LEU A 18 -2.706 3.311 -2.642 1.00 34.23 H new ATOM 0 HD11 LEU A 18 -3.881 1.713 -4.103 1.00 10.44 H new ATOM 0 HD12 LEU A 18 -2.458 2.418 -4.906 1.00 10.44 H new ATOM 0 HD13 LEU A 18 -2.385 0.762 -4.259 1.00 10.44 H new ATOM 0 HD21 LEU A 18 -3.907 1.396 -1.657 1.00 54.32 H new ATOM 0 HD22 LEU A 18 -2.411 0.433 -1.716 1.00 54.32 H new ATOM 0 HD23 LEU A 18 -2.503 1.872 -0.672 1.00 54.32 H new ATOM 308 N THR A 19 -0.513 5.469 -3.354 1.00 33.12 N ATOM 309 CA THR A 19 -0.154 6.809 -2.907 1.00 23.43 C ATOM 310 C THR A 19 -0.340 6.954 -1.401 1.00 2.13 C ATOM 311 O THR A 19 -0.783 6.023 -0.728 1.00 5.24 O ATOM 312 CB THR A 19 -0.993 7.884 -3.622 1.00 60.24 C ATOM 313 OG1 THR A 19 -1.553 7.347 -4.826 1.00 14.11 O ATOM 314 CG2 THR A 19 -0.144 9.102 -3.952 1.00 10.42 C ATOM 0 H THR A 19 -1.494 5.359 -3.610 1.00 33.12 H new ATOM 0 HA THR A 19 0.897 6.954 -3.157 1.00 23.43 H new ATOM 0 HB THR A 19 -1.797 8.191 -2.953 1.00 60.24 H new ATOM 0 HG1 THR A 19 -1.497 8.016 -5.540 1.00 14.11 H new ATOM 0 HG21 THR A 19 -0.758 9.848 -4.457 1.00 10.42 H new ATOM 0 HG22 THR A 19 0.258 9.526 -3.032 1.00 10.42 H new ATOM 0 HG23 THR A 19 0.678 8.807 -4.605 1.00 10.42 H new ATOM 322 N ASP A 20 0.000 8.127 -0.878 1.00 42.00 N ATOM 323 CA ASP A 20 -0.131 8.395 0.549 1.00 33.04 C ATOM 324 C ASP A 20 -1.068 9.574 0.797 1.00 24.41 C ATOM 325 O ASP A 20 -1.244 10.010 1.935 1.00 55.35 O ATOM 326 CB ASP A 20 1.240 8.679 1.165 1.00 33.42 C ATOM 327 CG ASP A 20 2.165 9.404 0.208 1.00 2.04 C ATOM 328 OD1 ASP A 20 1.885 10.578 -0.113 1.00 41.02 O ATOM 329 OD2 ASP A 20 3.170 8.798 -0.218 1.00 42.22 O ATOM 0 H ASP A 20 0.369 8.908 -1.421 1.00 42.00 H new ATOM 0 HA ASP A 20 -0.557 7.510 1.022 1.00 33.04 H new ATOM 0 HB2 ASP A 20 1.113 9.278 2.067 1.00 33.42 H new ATOM 0 HB3 ASP A 20 1.700 7.739 1.469 1.00 33.42 H new ATOM 334 N ASP A 21 -1.664 10.084 -0.275 1.00 3.24 N ATOM 335 CA ASP A 21 -2.582 11.213 -0.174 1.00 31.51 C ATOM 336 C ASP A 21 -4.029 10.733 -0.127 1.00 34.42 C ATOM 337 O ASP A 21 -4.792 11.116 0.759 1.00 10.01 O ATOM 338 CB ASP A 21 -2.386 12.164 -1.355 1.00 4.52 C ATOM 339 CG ASP A 21 -1.878 13.526 -0.923 1.00 23.14 C ATOM 340 OD1 ASP A 21 -0.987 13.576 -0.049 1.00 50.50 O ATOM 341 OD2 ASP A 21 -2.371 14.541 -1.457 1.00 54.04 O ATOM 0 H ASP A 21 -1.528 9.734 -1.223 1.00 3.24 H new ATOM 0 HA ASP A 21 -2.364 11.746 0.752 1.00 31.51 H new ATOM 0 HB2 ASP A 21 -1.681 11.723 -2.060 1.00 4.52 H new ATOM 0 HB3 ASP A 21 -3.332 12.283 -1.883 1.00 4.52 H new ATOM 346 N ASN A 22 -4.400 9.892 -1.087 1.00 55.33 N ATOM 347 CA ASN A 22 -5.757 9.361 -1.156 1.00 50.32 C ATOM 348 C ASN A 22 -5.756 7.844 -0.992 1.00 14.50 C ATOM 349 O ASN A 22 -6.585 7.286 -0.272 1.00 72.23 O ATOM 350 CB ASN A 22 -6.409 9.741 -2.487 1.00 44.05 C ATOM 351 CG ASN A 22 -6.922 11.168 -2.494 1.00 1.04 C ATOM 352 OD1 ASN A 22 -7.542 11.621 -1.531 1.00 71.53 O ATOM 353 ND2 ASN A 22 -6.665 11.884 -3.582 1.00 0.30 N ATOM 0 H ASN A 22 -3.780 9.564 -1.828 1.00 55.33 H new ATOM 0 HA ASN A 22 -6.333 9.797 -0.340 1.00 50.32 H new ATOM 0 HB2 ASN A 22 -5.685 9.614 -3.292 1.00 44.05 H new ATOM 0 HB3 ASN A 22 -7.235 9.060 -2.691 1.00 44.05 H new ATOM 0 HD21 ASN A 22 -6.985 12.851 -3.644 1.00 0.30 H new ATOM 0 HD22 ASN A 22 -6.148 11.468 -4.356 1.00 0.30 H new ATOM 360 N THR A 23 -4.820 7.182 -1.664 1.00 2.10 N ATOM 361 CA THR A 23 -4.711 5.731 -1.594 1.00 22.55 C ATOM 362 C THR A 23 -5.983 5.059 -2.097 1.00 33.45 C ATOM 363 O THR A 23 -6.059 4.636 -3.251 1.00 4.13 O ATOM 364 CB THR A 23 -4.428 5.258 -0.155 1.00 72.51 C ATOM 365 OG1 THR A 23 -3.159 5.755 0.284 1.00 55.50 O ATOM 366 CG2 THR A 23 -4.439 3.739 -0.073 1.00 65.51 C ATOM 0 H THR A 23 -4.126 7.628 -2.263 1.00 2.10 H new ATOM 0 HA THR A 23 -3.876 5.445 -2.234 1.00 22.55 H new ATOM 0 HB THR A 23 -5.214 5.647 0.493 1.00 72.51 H new ATOM 0 HG1 THR A 23 -2.513 5.696 -0.450 1.00 55.50 H new ATOM 0 HG21 THR A 23 -4.237 3.428 0.952 1.00 65.51 H new ATOM 0 HG22 THR A 23 -5.416 3.365 -0.379 1.00 65.51 H new ATOM 0 HG23 THR A 23 -3.672 3.333 -0.733 1.00 65.51 H new ATOM 374 N ILE A 24 -6.981 4.964 -1.224 1.00 71.33 N ATOM 375 CA ILE A 24 -8.251 4.344 -1.582 1.00 13.42 C ATOM 376 C ILE A 24 -9.045 5.229 -2.537 1.00 43.32 C ATOM 377 O ILE A 24 -9.528 4.767 -3.570 1.00 54.52 O ATOM 378 CB ILE A 24 -9.108 4.057 -0.335 1.00 12.02 C ATOM 379 CG1 ILE A 24 -8.291 3.289 0.706 1.00 13.03 C ATOM 380 CG2 ILE A 24 -10.356 3.276 -0.718 1.00 71.23 C ATOM 381 CD1 ILE A 24 -7.706 4.172 1.786 1.00 30.22 C ATOM 0 H ILE A 24 -6.935 5.308 -0.265 1.00 71.33 H new ATOM 0 HA ILE A 24 -8.014 3.402 -2.076 1.00 13.42 H new ATOM 0 HB ILE A 24 -9.417 5.007 0.102 1.00 12.02 H new ATOM 0 HG12 ILE A 24 -8.926 2.534 1.170 1.00 13.03 H new ATOM 0 HG13 ILE A 24 -7.482 2.760 0.203 1.00 13.03 H new ATOM 0 HG21 ILE A 24 -10.951 3.081 0.174 1.00 71.23 H new ATOM 0 HG22 ILE A 24 -10.945 3.857 -1.428 1.00 71.23 H new ATOM 0 HG23 ILE A 24 -10.067 2.330 -1.175 1.00 71.23 H new ATOM 0 HD11 ILE A 24 -7.140 3.561 2.489 1.00 30.22 H new ATOM 0 HD12 ILE A 24 -7.045 4.911 1.333 1.00 30.22 H new ATOM 0 HD13 ILE A 24 -8.511 4.682 2.315 1.00 30.22 H new ATOM 393 N ALA A 25 -9.173 6.505 -2.185 1.00 62.54 N ATOM 394 CA ALA A 25 -9.904 7.456 -3.013 1.00 61.42 C ATOM 395 C ALA A 25 -9.308 7.536 -4.414 1.00 63.45 C ATOM 396 O ALA A 25 -10.034 7.633 -5.403 1.00 32.12 O ATOM 397 CB ALA A 25 -9.908 8.830 -2.360 1.00 70.21 C ATOM 0 H ALA A 25 -8.780 6.903 -1.332 1.00 62.54 H new ATOM 0 HA ALA A 25 -10.932 7.106 -3.104 1.00 61.42 H new ATOM 0 HB1 ALA A 25 -10.457 9.530 -2.989 1.00 70.21 H new ATOM 0 HB2 ALA A 25 -10.387 8.767 -1.383 1.00 70.21 H new ATOM 0 HB3 ALA A 25 -8.882 9.178 -2.239 1.00 70.21 H new ATOM 403 N GLU A 26 -7.981 7.495 -4.492 1.00 32.45 N ATOM 404 CA GLU A 26 -7.289 7.564 -5.773 1.00 5.22 C ATOM 405 C GLU A 26 -7.522 6.295 -6.587 1.00 24.31 C ATOM 406 O GLU A 26 -7.697 6.348 -7.805 1.00 14.01 O ATOM 407 CB GLU A 26 -5.789 7.776 -5.556 1.00 43.12 C ATOM 408 CG GLU A 26 -4.983 7.788 -6.845 1.00 14.24 C ATOM 409 CD GLU A 26 -4.262 9.103 -7.069 1.00 71.14 C ATOM 410 OE1 GLU A 26 -3.212 9.320 -6.429 1.00 32.05 O ATOM 411 OE2 GLU A 26 -4.747 9.914 -7.885 1.00 41.42 O ATOM 0 H GLU A 26 -7.365 7.414 -3.683 1.00 32.45 H new ATOM 0 HA GLU A 26 -7.692 8.410 -6.329 1.00 5.22 H new ATOM 0 HB2 GLU A 26 -5.636 8.720 -5.033 1.00 43.12 H new ATOM 0 HB3 GLU A 26 -5.409 6.987 -4.907 1.00 43.12 H new ATOM 0 HG2 GLU A 26 -4.254 6.978 -6.821 1.00 14.24 H new ATOM 0 HG3 GLU A 26 -5.648 7.594 -7.687 1.00 14.24 H new ATOM 418 N LEU A 27 -7.521 5.154 -5.906 1.00 10.10 N ATOM 419 CA LEU A 27 -7.732 3.870 -6.565 1.00 22.42 C ATOM 420 C LEU A 27 -9.149 3.768 -7.119 1.00 50.25 C ATOM 421 O LEU A 27 -9.349 3.412 -8.281 1.00 0.10 O ATOM 422 CB LEU A 27 -7.472 2.723 -5.586 1.00 2.42 C ATOM 423 CG LEU A 27 -6.326 1.778 -5.948 1.00 42.11 C ATOM 424 CD1 LEU A 27 -6.255 0.622 -4.962 1.00 52.33 C ATOM 425 CD2 LEU A 27 -6.491 1.260 -7.369 1.00 61.04 C ATOM 0 H LEU A 27 -7.376 5.092 -4.898 1.00 10.10 H new ATOM 0 HA LEU A 27 -7.031 3.797 -7.396 1.00 22.42 H new ATOM 0 HB2 LEU A 27 -7.268 3.150 -4.604 1.00 2.42 H new ATOM 0 HB3 LEU A 27 -8.386 2.136 -5.495 1.00 2.42 H new ATOM 0 HG LEU A 27 -5.390 2.334 -5.892 1.00 42.11 H new ATOM 0 HD11 LEU A 27 -5.433 -0.040 -5.236 1.00 52.33 H new ATOM 0 HD12 LEU A 27 -6.089 1.010 -3.957 1.00 52.33 H new ATOM 0 HD13 LEU A 27 -7.192 0.066 -4.985 1.00 52.33 H new ATOM 0 HD21 LEU A 27 -5.666 0.589 -7.610 1.00 61.04 H new ATOM 0 HD22 LEU A 27 -7.434 0.720 -7.452 1.00 61.04 H new ATOM 0 HD23 LEU A 27 -6.491 2.099 -8.065 1.00 61.04 H new ATOM 437 N LYS A 28 -10.131 4.086 -6.282 1.00 64.31 N ATOM 438 CA LYS A 28 -11.530 4.034 -6.688 1.00 50.23 C ATOM 439 C LYS A 28 -11.819 5.063 -7.777 1.00 22.01 C ATOM 440 O LYS A 28 -12.555 4.789 -8.724 1.00 2.02 O ATOM 441 CB LYS A 28 -12.441 4.281 -5.484 1.00 14.00 C ATOM 442 CG LYS A 28 -12.288 5.666 -4.879 1.00 33.21 C ATOM 443 CD LYS A 28 -13.102 5.810 -3.604 1.00 0.31 C ATOM 444 CE LYS A 28 -14.594 5.705 -3.880 1.00 10.21 C ATOM 445 NZ LYS A 28 -15.362 6.781 -3.194 1.00 32.54 N ATOM 0 H LYS A 28 -9.983 4.383 -5.317 1.00 64.31 H new ATOM 0 HA LYS A 28 -11.729 3.040 -7.089 1.00 50.23 H new ATOM 0 HB2 LYS A 28 -13.478 4.139 -5.789 1.00 14.00 H new ATOM 0 HB3 LYS A 28 -12.229 3.534 -4.719 1.00 14.00 H new ATOM 0 HG2 LYS A 28 -11.236 5.856 -4.664 1.00 33.21 H new ATOM 0 HG3 LYS A 28 -12.606 6.417 -5.602 1.00 33.21 H new ATOM 0 HD2 LYS A 28 -12.807 5.038 -2.894 1.00 0.31 H new ATOM 0 HD3 LYS A 28 -12.884 6.771 -3.138 1.00 0.31 H new ATOM 0 HE2 LYS A 28 -14.769 5.762 -4.954 1.00 10.21 H new ATOM 0 HE3 LYS A 28 -14.957 4.732 -3.549 1.00 10.21 H new ATOM 0 HZ1 LYS A 28 -16.374 6.675 -3.407 1.00 32.54 H new ATOM 0 HZ2 LYS A 28 -15.215 6.711 -2.167 1.00 32.54 H new ATOM 0 HZ3 LYS A 28 -15.034 7.709 -3.529 1.00 32.54 H new ATOM 459 N GLY A 29 -11.233 6.248 -7.636 1.00 5.13 N ATOM 460 CA GLY A 29 -11.438 7.299 -8.615 1.00 74.12 C ATOM 461 C GLY A 29 -10.814 6.971 -9.957 1.00 53.11 C ATOM 462 O GLY A 29 -11.340 7.350 -11.004 1.00 63.22 O ATOM 0 H GLY A 29 -10.620 6.499 -6.861 1.00 5.13 H new ATOM 0 HA2 GLY A 29 -12.507 7.466 -8.746 1.00 74.12 H new ATOM 0 HA3 GLY A 29 -11.014 8.230 -8.238 1.00 74.12 H new ATOM 466 N LYS A 30 -9.688 6.266 -9.928 1.00 14.23 N ATOM 467 CA LYS A 30 -8.990 5.887 -11.150 1.00 53.14 C ATOM 468 C LYS A 30 -9.750 4.792 -11.893 1.00 45.54 C ATOM 469 O LYS A 30 -9.763 4.758 -13.125 1.00 13.44 O ATOM 470 CB LYS A 30 -7.573 5.409 -10.826 1.00 11.32 C ATOM 471 CG LYS A 30 -6.554 6.533 -10.755 1.00 43.01 C ATOM 472 CD LYS A 30 -5.452 6.352 -11.786 1.00 0.22 C ATOM 473 CE LYS A 30 -4.213 7.157 -11.424 1.00 62.41 C ATOM 474 NZ LYS A 30 -3.520 7.682 -12.633 1.00 62.52 N ATOM 0 H LYS A 30 -9.239 5.945 -9.070 1.00 14.23 H new ATOM 0 HA LYS A 30 -8.932 6.765 -11.793 1.00 53.14 H new ATOM 0 HB2 LYS A 30 -7.586 4.881 -9.873 1.00 11.32 H new ATOM 0 HB3 LYS A 30 -7.258 4.692 -11.584 1.00 11.32 H new ATOM 0 HG2 LYS A 30 -7.053 7.488 -10.918 1.00 43.01 H new ATOM 0 HG3 LYS A 30 -6.118 6.567 -9.757 1.00 43.01 H new ATOM 0 HD2 LYS A 30 -5.192 5.296 -11.861 1.00 0.22 H new ATOM 0 HD3 LYS A 30 -5.815 6.661 -12.766 1.00 0.22 H new ATOM 0 HE2 LYS A 30 -4.496 7.988 -10.778 1.00 62.41 H new ATOM 0 HE3 LYS A 30 -3.526 6.530 -10.855 1.00 62.41 H new ATOM 0 HZ1 LYS A 30 -2.681 8.225 -12.344 1.00 62.52 H new ATOM 0 HZ2 LYS A 30 -3.227 6.888 -13.238 1.00 62.52 H new ATOM 0 HZ3 LYS A 30 -4.167 8.300 -13.163 1.00 62.52 H new ATOM 488 N LEU A 31 -10.381 3.900 -11.139 1.00 11.35 N ATOM 489 CA LEU A 31 -11.144 2.805 -11.726 1.00 35.42 C ATOM 490 C LEU A 31 -12.401 3.325 -12.417 1.00 1.25 C ATOM 491 O LEU A 31 -12.736 2.896 -13.520 1.00 14.50 O ATOM 492 CB LEU A 31 -11.525 1.787 -10.649 1.00 11.33 C ATOM 493 CG LEU A 31 -11.780 0.360 -11.134 1.00 33.11 C ATOM 494 CD1 LEU A 31 -11.421 -0.645 -10.050 1.00 0.50 C ATOM 495 CD2 LEU A 31 -13.232 0.192 -11.559 1.00 0.54 C ATOM 0 H LEU A 31 -10.379 3.913 -10.119 1.00 11.35 H new ATOM 0 HA LEU A 31 -10.516 2.318 -12.472 1.00 35.42 H new ATOM 0 HB2 LEU A 31 -10.729 1.760 -9.905 1.00 11.33 H new ATOM 0 HB3 LEU A 31 -12.422 2.143 -10.142 1.00 11.33 H new ATOM 0 HG LEU A 31 -11.145 0.173 -12.000 1.00 33.11 H new ATOM 0 HD11 LEU A 31 -11.609 -1.655 -10.414 1.00 0.50 H new ATOM 0 HD12 LEU A 31 -10.367 -0.542 -9.793 1.00 0.50 H new ATOM 0 HD13 LEU A 31 -12.030 -0.459 -9.165 1.00 0.50 H new ATOM 0 HD21 LEU A 31 -13.395 -0.830 -11.901 1.00 0.54 H new ATOM 0 HD22 LEU A 31 -13.885 0.399 -10.712 1.00 0.54 H new ATOM 0 HD23 LEU A 31 -13.457 0.886 -12.369 1.00 0.54 H new ATOM 507 N GLU A 32 -13.090 4.253 -11.760 1.00 2.33 N ATOM 508 CA GLU A 32 -14.308 4.833 -12.312 1.00 74.01 C ATOM 509 C GLU A 32 -13.997 5.689 -13.537 1.00 31.15 C ATOM 510 O GLU A 32 -14.729 5.665 -14.525 1.00 74.00 O ATOM 511 CB GLU A 32 -15.023 5.677 -11.255 1.00 31.14 C ATOM 512 CG GLU A 32 -14.159 6.783 -10.673 1.00 11.20 C ATOM 513 CD GLU A 32 -14.866 7.562 -9.580 1.00 63.41 C ATOM 514 OE1 GLU A 32 -15.601 6.938 -8.787 1.00 24.53 O ATOM 515 OE2 GLU A 32 -14.683 8.796 -9.519 1.00 21.44 O ATOM 0 H GLU A 32 -12.825 4.619 -10.845 1.00 2.33 H new ATOM 0 HA GLU A 32 -14.962 4.016 -12.617 1.00 74.01 H new ATOM 0 HB2 GLU A 32 -15.915 6.119 -11.698 1.00 31.14 H new ATOM 0 HB3 GLU A 32 -15.358 5.026 -10.447 1.00 31.14 H new ATOM 0 HG2 GLU A 32 -13.243 6.350 -10.271 1.00 11.20 H new ATOM 0 HG3 GLU A 32 -13.865 7.467 -11.469 1.00 11.20 H new ATOM 522 N GLU A 33 -12.906 6.444 -13.461 1.00 42.34 N ATOM 523 CA GLU A 33 -12.499 7.309 -14.563 1.00 24.22 C ATOM 524 C GLU A 33 -12.047 6.483 -15.764 1.00 51.21 C ATOM 525 O GLU A 33 -12.266 6.868 -16.913 1.00 32.22 O ATOM 526 CB GLU A 33 -11.370 8.242 -14.118 1.00 71.40 C ATOM 527 CG GLU A 33 -11.294 9.530 -14.920 1.00 65.21 C ATOM 528 CD GLU A 33 -12.542 10.379 -14.781 1.00 31.22 C ATOM 529 OE1 GLU A 33 -12.840 10.816 -13.650 1.00 3.41 O ATOM 530 OE2 GLU A 33 -13.222 10.606 -15.804 1.00 24.21 O ATOM 0 H GLU A 33 -12.289 6.475 -12.650 1.00 42.34 H new ATOM 0 HA GLU A 33 -13.360 7.908 -14.859 1.00 24.22 H new ATOM 0 HB2 GLU A 33 -11.506 8.487 -13.065 1.00 71.40 H new ATOM 0 HB3 GLU A 33 -10.420 7.715 -14.202 1.00 71.40 H new ATOM 0 HG2 GLU A 33 -10.429 10.107 -14.593 1.00 65.21 H new ATOM 0 HG3 GLU A 33 -11.138 9.290 -15.972 1.00 65.21 H new ATOM 537 N SER A 34 -11.415 5.347 -15.490 1.00 21.43 N ATOM 538 CA SER A 34 -10.928 4.468 -16.547 1.00 11.20 C ATOM 539 C SER A 34 -12.087 3.917 -17.372 1.00 52.42 C ATOM 540 O SER A 34 -12.031 3.893 -18.601 1.00 41.31 O ATOM 541 CB SER A 34 -10.120 3.315 -15.949 1.00 43.11 C ATOM 542 OG SER A 34 -10.972 2.330 -15.392 1.00 70.52 O ATOM 0 H SER A 34 -11.228 5.013 -14.545 1.00 21.43 H new ATOM 0 HA SER A 34 -10.283 5.052 -17.203 1.00 11.20 H new ATOM 0 HB2 SER A 34 -9.496 2.866 -16.721 1.00 43.11 H new ATOM 0 HB3 SER A 34 -9.449 3.698 -15.179 1.00 43.11 H new ATOM 0 HG SER A 34 -11.434 2.701 -14.611 1.00 70.52 H new ATOM 548 N GLU A 35 -13.137 3.476 -16.686 1.00 63.10 N ATOM 549 CA GLU A 35 -14.309 2.924 -17.355 1.00 40.43 C ATOM 550 C GLU A 35 -15.217 4.038 -17.868 1.00 51.51 C ATOM 551 O GLU A 35 -16.208 3.782 -18.550 1.00 34.21 O ATOM 552 CB GLU A 35 -15.087 2.015 -16.402 1.00 53.12 C ATOM 553 CG GLU A 35 -14.512 0.613 -16.293 1.00 72.11 C ATOM 554 CD GLU A 35 -15.094 -0.338 -17.321 1.00 12.10 C ATOM 555 OE1 GLU A 35 -16.334 -0.476 -17.368 1.00 13.34 O ATOM 556 OE2 GLU A 35 -14.308 -0.944 -18.079 1.00 74.22 O ATOM 0 H GLU A 35 -13.200 3.490 -15.668 1.00 63.10 H new ATOM 0 HA GLU A 35 -13.967 2.336 -18.207 1.00 40.43 H new ATOM 0 HB2 GLU A 35 -15.103 2.470 -15.412 1.00 53.12 H new ATOM 0 HB3 GLU A 35 -16.121 1.949 -16.739 1.00 53.12 H new ATOM 0 HG2 GLU A 35 -13.430 0.658 -16.416 1.00 72.11 H new ATOM 0 HG3 GLU A 35 -14.703 0.223 -15.293 1.00 72.11 H new ATOM 563 N GLY A 36 -14.870 5.278 -17.534 1.00 34.23 N ATOM 564 CA GLY A 36 -15.664 6.413 -17.967 1.00 71.34 C ATOM 565 C GLY A 36 -16.746 6.778 -16.971 1.00 1.53 C ATOM 566 O GLY A 36 -16.949 7.955 -16.669 1.00 72.02 O ATOM 0 H GLY A 36 -14.053 5.516 -16.971 1.00 34.23 H new ATOM 0 HA2 GLY A 36 -15.011 7.272 -18.120 1.00 71.34 H new ATOM 0 HA3 GLY A 36 -16.122 6.186 -18.929 1.00 71.34 H new ATOM 570 N ILE A 37 -17.443 5.769 -16.459 1.00 43.32 N ATOM 571 CA ILE A 37 -18.510 5.991 -15.491 1.00 43.34 C ATOM 572 C ILE A 37 -18.474 4.944 -14.384 1.00 21.03 C ATOM 573 O ILE A 37 -17.977 3.832 -14.563 1.00 23.04 O ATOM 574 CB ILE A 37 -19.895 5.963 -16.164 1.00 42.53 C ATOM 575 CG1 ILE A 37 -20.015 4.747 -17.084 1.00 63.32 C ATOM 576 CG2 ILE A 37 -20.131 7.249 -16.943 1.00 71.45 C ATOM 577 CD1 ILE A 37 -19.545 5.009 -18.498 1.00 10.31 C ATOM 0 H ILE A 37 -17.288 4.790 -16.699 1.00 43.32 H new ATOM 0 HA ILE A 37 -18.345 6.978 -15.060 1.00 43.34 H new ATOM 0 HB ILE A 37 -20.658 5.885 -15.389 1.00 42.53 H new ATOM 0 HG12 ILE A 37 -19.435 3.925 -16.664 1.00 63.32 H new ATOM 0 HG13 ILE A 37 -21.055 4.423 -17.110 1.00 63.32 H new ATOM 0 HG21 ILE A 37 -21.114 7.214 -17.413 1.00 71.45 H new ATOM 0 HG22 ILE A 37 -20.083 8.100 -16.263 1.00 71.45 H new ATOM 0 HG23 ILE A 37 -19.365 7.355 -17.711 1.00 71.45 H new ATOM 0 HD11 ILE A 37 -19.659 4.103 -19.093 1.00 10.31 H new ATOM 0 HD12 ILE A 37 -20.141 5.809 -18.937 1.00 10.31 H new ATOM 0 HD13 ILE A 37 -18.496 5.304 -18.484 1.00 10.31 H new ATOM 589 N PRO A 38 -19.015 5.305 -13.211 1.00 33.43 N ATOM 590 CA PRO A 38 -19.060 4.409 -12.051 1.00 1.32 C ATOM 591 C PRO A 38 -20.027 3.248 -12.252 1.00 34.01 C ATOM 592 O PRO A 38 -21.111 3.420 -12.808 1.00 34.52 O ATOM 593 CB PRO A 38 -19.544 5.319 -10.919 1.00 31.00 C ATOM 594 CG PRO A 38 -20.306 6.401 -11.603 1.00 13.25 C ATOM 595 CD PRO A 38 -19.626 6.614 -12.927 1.00 1.15 C ATOM 0 HA PRO A 38 -18.094 3.943 -11.858 1.00 1.32 H new ATOM 0 HB2 PRO A 38 -20.174 4.775 -10.215 1.00 31.00 H new ATOM 0 HB3 PRO A 38 -18.707 5.723 -10.350 1.00 31.00 H new ATOM 0 HG2 PRO A 38 -21.349 6.116 -11.741 1.00 13.25 H new ATOM 0 HG3 PRO A 38 -20.301 7.316 -11.010 1.00 13.25 H new ATOM 0 HD2 PRO A 38 -20.336 6.902 -13.702 1.00 1.15 H new ATOM 0 HD3 PRO A 38 -18.877 7.404 -12.872 1.00 1.15 H new ATOM 603 N GLY A 39 -19.628 2.065 -11.795 1.00 31.20 N ATOM 604 CA GLY A 39 -20.472 0.893 -11.934 1.00 71.41 C ATOM 605 C GLY A 39 -21.847 1.093 -11.328 1.00 72.14 C ATOM 606 O GLY A 39 -22.859 0.762 -11.946 1.00 4.15 O ATOM 0 H GLY A 39 -18.735 1.898 -11.331 1.00 31.20 H new ATOM 0 HA2 GLY A 39 -20.576 0.648 -12.991 1.00 71.41 H new ATOM 0 HA3 GLY A 39 -19.988 0.042 -11.455 1.00 71.41 H new ATOM 610 N ASN A 40 -21.885 1.635 -10.115 1.00 45.05 N ATOM 611 CA ASN A 40 -23.146 1.877 -9.425 1.00 31.21 C ATOM 612 C ASN A 40 -22.902 2.388 -8.008 1.00 64.42 C ATOM 613 O ASN A 40 -23.138 3.558 -7.710 1.00 70.02 O ATOM 614 CB ASN A 40 -23.981 0.595 -9.380 1.00 43.30 C ATOM 615 CG ASN A 40 -25.324 0.756 -10.066 1.00 22.34 C ATOM 616 OD1 ASN A 40 -26.236 1.384 -9.529 1.00 11.51 O ATOM 617 ND2 ASN A 40 -25.451 0.186 -11.258 1.00 60.23 N ATOM 0 H ASN A 40 -21.057 1.915 -9.590 1.00 45.05 H new ATOM 0 HA ASN A 40 -23.693 2.640 -9.978 1.00 31.21 H new ATOM 0 HB2 ASN A 40 -23.427 -0.213 -9.857 1.00 43.30 H new ATOM 0 HB3 ASN A 40 -24.139 0.304 -8.342 1.00 43.30 H new ATOM 0 HD21 ASN A 40 -26.332 0.259 -11.767 1.00 60.23 H new ATOM 0 HD22 ASN A 40 -24.668 -0.325 -11.665 1.00 60.23 H new ATOM 624 N MET A 41 -22.426 1.501 -7.139 1.00 52.44 N ATOM 625 CA MET A 41 -22.148 1.863 -5.754 1.00 43.24 C ATOM 626 C MET A 41 -20.647 2.009 -5.522 1.00 33.34 C ATOM 627 O MET A 41 -20.204 2.922 -4.824 1.00 61.34 O ATOM 628 CB MET A 41 -22.723 0.811 -4.804 1.00 53.15 C ATOM 629 CG MET A 41 -24.214 0.970 -4.553 1.00 71.12 C ATOM 630 SD MET A 41 -24.736 0.243 -2.988 1.00 2.13 S ATOM 631 CE MET A 41 -26.285 1.100 -2.716 1.00 51.03 C ATOM 0 H MET A 41 -22.225 0.528 -7.370 1.00 52.44 H new ATOM 0 HA MET A 41 -22.624 2.822 -5.552 1.00 43.24 H new ATOM 0 HB2 MET A 41 -22.536 -0.180 -5.217 1.00 53.15 H new ATOM 0 HB3 MET A 41 -22.195 0.865 -3.852 1.00 53.15 H new ATOM 0 HG2 MET A 41 -24.469 2.030 -4.560 1.00 71.12 H new ATOM 0 HG3 MET A 41 -24.767 0.504 -5.368 1.00 71.12 H new ATOM 0 HE1 MET A 41 -26.731 0.757 -1.782 1.00 51.03 H new ATOM 0 HE2 MET A 41 -26.102 2.173 -2.658 1.00 51.03 H new ATOM 0 HE3 MET A 41 -26.966 0.892 -3.541 1.00 51.03 H new ATOM 641 N ILE A 42 -19.871 1.104 -6.109 1.00 35.11 N ATOM 642 CA ILE A 42 -18.421 1.133 -5.965 1.00 52.13 C ATOM 643 C ILE A 42 -18.015 1.157 -4.496 1.00 4.22 C ATOM 644 O ILE A 42 -17.262 2.030 -4.064 1.00 2.32 O ATOM 645 CB ILE A 42 -17.810 2.355 -6.676 1.00 2.23 C ATOM 646 CG1 ILE A 42 -18.505 2.593 -8.018 1.00 65.41 C ATOM 647 CG2 ILE A 42 -16.314 2.159 -6.875 1.00 33.25 C ATOM 648 CD1 ILE A 42 -19.590 3.644 -7.959 1.00 35.02 C ATOM 0 H ILE A 42 -20.222 0.342 -6.689 1.00 35.11 H new ATOM 0 HA ILE A 42 -18.039 0.224 -6.429 1.00 52.13 H new ATOM 0 HB ILE A 42 -17.961 3.234 -6.050 1.00 2.23 H new ATOM 0 HG12 ILE A 42 -17.760 2.892 -8.755 1.00 65.41 H new ATOM 0 HG13 ILE A 42 -18.938 1.655 -8.365 1.00 65.41 H new ATOM 0 HG21 ILE A 42 -15.897 3.031 -7.379 1.00 33.25 H new ATOM 0 HG22 ILE A 42 -15.831 2.034 -5.906 1.00 33.25 H new ATOM 0 HG23 ILE A 42 -16.141 1.271 -7.483 1.00 33.25 H new ATOM 0 HD11 ILE A 42 -20.039 3.760 -8.946 1.00 35.02 H new ATOM 0 HD12 ILE A 42 -20.355 3.337 -7.246 1.00 35.02 H new ATOM 0 HD13 ILE A 42 -19.159 4.594 -7.643 1.00 35.02 H new ATOM 660 N ARG A 43 -18.517 0.192 -3.733 1.00 25.22 N ATOM 661 CA ARG A 43 -18.205 0.102 -2.311 1.00 71.33 C ATOM 662 C ARG A 43 -17.423 -1.172 -2.006 1.00 24.21 C ATOM 663 O ARG A 43 -17.929 -2.282 -2.180 1.00 42.53 O ATOM 664 CB ARG A 43 -19.491 0.134 -1.483 1.00 3.22 C ATOM 665 CG ARG A 43 -20.283 1.422 -1.639 1.00 33.24 C ATOM 666 CD ARG A 43 -19.583 2.592 -0.966 1.00 43.02 C ATOM 667 NE ARG A 43 -20.155 3.875 -1.365 1.00 14.14 N ATOM 668 CZ ARG A 43 -19.599 5.048 -1.083 1.00 24.33 C ATOM 669 NH1 ARG A 43 -18.460 5.099 -0.405 1.00 34.13 N ATOM 670 NH2 ARG A 43 -20.180 6.172 -1.480 1.00 13.32 N ATOM 0 H ARG A 43 -19.141 -0.539 -4.075 1.00 25.22 H new ATOM 0 HA ARG A 43 -17.587 0.960 -2.045 1.00 71.33 H new ATOM 0 HB2 ARG A 43 -20.121 -0.707 -1.773 1.00 3.22 H new ATOM 0 HB3 ARG A 43 -19.240 -0.003 -0.431 1.00 3.22 H new ATOM 0 HG2 ARG A 43 -20.421 1.640 -2.698 1.00 33.24 H new ATOM 0 HG3 ARG A 43 -21.276 1.294 -1.208 1.00 33.24 H new ATOM 0 HD2 ARG A 43 -19.655 2.484 0.116 1.00 43.02 H new ATOM 0 HD3 ARG A 43 -18.523 2.574 -1.218 1.00 43.02 H new ATOM 0 HE ARG A 43 -21.030 3.870 -1.889 1.00 14.14 H new ATOM 0 HH11 ARG A 43 -18.009 4.237 -0.099 1.00 34.13 H new ATOM 0 HH12 ARG A 43 -18.035 6.001 -0.190 1.00 34.13 H new ATOM 0 HH21 ARG A 43 -21.055 6.137 -2.003 1.00 13.32 H new ATOM 0 HH22 ARG A 43 -19.752 7.072 -1.263 1.00 13.32 H new ATOM 684 N LEU A 44 -16.186 -1.006 -1.550 1.00 50.41 N ATOM 685 CA LEU A 44 -15.332 -2.142 -1.221 1.00 15.24 C ATOM 686 C LEU A 44 -15.215 -2.315 0.290 1.00 12.44 C ATOM 687 O LEU A 44 -15.402 -1.365 1.051 1.00 44.41 O ATOM 688 CB LEU A 44 -13.943 -1.956 -1.833 1.00 53.04 C ATOM 689 CG LEU A 44 -13.203 -0.677 -1.442 1.00 43.33 C ATOM 690 CD1 LEU A 44 -11.701 -0.916 -1.416 1.00 51.11 C ATOM 691 CD2 LEU A 44 -13.548 0.454 -2.401 1.00 20.32 C ATOM 0 H LEU A 44 -15.752 -0.095 -1.400 1.00 50.41 H new ATOM 0 HA LEU A 44 -15.788 -3.040 -1.637 1.00 15.24 H new ATOM 0 HB2 LEU A 44 -13.326 -2.809 -1.551 1.00 53.04 H new ATOM 0 HB3 LEU A 44 -14.040 -1.978 -2.918 1.00 53.04 H new ATOM 0 HG LEU A 44 -13.522 -0.388 -0.441 1.00 43.33 H new ATOM 0 HD11 LEU A 44 -11.191 0.006 -1.136 1.00 51.11 H new ATOM 0 HD12 LEU A 44 -11.469 -1.695 -0.689 1.00 51.11 H new ATOM 0 HD13 LEU A 44 -11.365 -1.230 -2.404 1.00 51.11 H new ATOM 0 HD21 LEU A 44 -13.012 1.356 -2.107 1.00 20.32 H new ATOM 0 HD22 LEU A 44 -13.258 0.173 -3.414 1.00 20.32 H new ATOM 0 HD23 LEU A 44 -14.621 0.643 -2.370 1.00 20.32 H new ATOM 703 N VAL A 45 -14.903 -3.534 0.719 1.00 0.40 N ATOM 704 CA VAL A 45 -14.757 -3.831 2.139 1.00 52.40 C ATOM 705 C VAL A 45 -13.326 -4.236 2.471 1.00 23.24 C ATOM 706 O VAL A 45 -12.755 -5.120 1.831 1.00 11.33 O ATOM 707 CB VAL A 45 -15.713 -4.956 2.578 1.00 0.20 C ATOM 708 CG1 VAL A 45 -15.399 -6.244 1.833 1.00 31.32 C ATOM 709 CG2 VAL A 45 -15.632 -5.167 4.082 1.00 3.44 C ATOM 0 H VAL A 45 -14.746 -4.332 0.103 1.00 0.40 H new ATOM 0 HA VAL A 45 -15.008 -2.919 2.681 1.00 52.40 H new ATOM 0 HB VAL A 45 -16.732 -4.660 2.330 1.00 0.20 H new ATOM 0 HG11 VAL A 45 -16.084 -7.028 2.156 1.00 31.32 H new ATOM 0 HG12 VAL A 45 -15.513 -6.081 0.761 1.00 31.32 H new ATOM 0 HG13 VAL A 45 -14.374 -6.547 2.047 1.00 31.32 H new ATOM 0 HG21 VAL A 45 -16.314 -5.965 4.375 1.00 3.44 H new ATOM 0 HG22 VAL A 45 -14.613 -5.441 4.357 1.00 3.44 H new ATOM 0 HG23 VAL A 45 -15.911 -4.246 4.594 1.00 3.44 H new ATOM 719 N TYR A 46 -12.751 -3.585 3.477 1.00 63.45 N ATOM 720 CA TYR A 46 -11.384 -3.877 3.894 1.00 52.35 C ATOM 721 C TYR A 46 -11.366 -4.577 5.249 1.00 62.02 C ATOM 722 O TYR A 46 -11.758 -4.000 6.262 1.00 11.15 O ATOM 723 CB TYR A 46 -10.564 -2.588 3.962 1.00 42.41 C ATOM 724 CG TYR A 46 -9.155 -2.738 3.434 1.00 40.31 C ATOM 725 CD1 TYR A 46 -8.308 -3.722 3.928 1.00 32.34 C ATOM 726 CD2 TYR A 46 -8.670 -1.895 2.442 1.00 52.25 C ATOM 727 CE1 TYR A 46 -7.020 -3.863 3.450 1.00 40.14 C ATOM 728 CE2 TYR A 46 -7.384 -2.029 1.956 1.00 70.13 C ATOM 729 CZ TYR A 46 -6.563 -3.014 2.463 1.00 63.30 C ATOM 730 OH TYR A 46 -5.280 -3.150 1.983 1.00 74.43 O ATOM 0 H TYR A 46 -13.210 -2.852 4.018 1.00 63.45 H new ATOM 0 HA TYR A 46 -10.940 -4.544 3.155 1.00 52.35 H new ATOM 0 HB2 TYR A 46 -11.075 -1.812 3.393 1.00 42.41 H new ATOM 0 HB3 TYR A 46 -10.521 -2.249 4.997 1.00 42.41 H new ATOM 0 HD1 TYR A 46 -8.663 -4.389 4.700 1.00 32.34 H new ATOM 0 HD2 TYR A 46 -9.310 -1.121 2.044 1.00 52.25 H new ATOM 0 HE1 TYR A 46 -6.375 -4.633 3.846 1.00 40.14 H new ATOM 0 HE2 TYR A 46 -7.024 -1.366 1.183 1.00 70.13 H new ATOM 0 HH TYR A 46 -5.116 -2.476 1.291 1.00 74.43 H new ATOM 740 N GLN A 47 -10.907 -5.824 5.257 1.00 65.21 N ATOM 741 CA GLN A 47 -10.837 -6.604 6.487 1.00 64.01 C ATOM 742 C GLN A 47 -12.201 -6.674 7.165 1.00 4.05 C ATOM 743 O GLN A 47 -12.295 -6.688 8.392 1.00 0.10 O ATOM 744 CB GLN A 47 -9.809 -5.997 7.443 1.00 4.51 C ATOM 745 CG GLN A 47 -8.902 -7.027 8.097 1.00 74.11 C ATOM 746 CD GLN A 47 -7.550 -7.129 7.419 1.00 52.00 C ATOM 747 OE1 GLN A 47 -6.586 -6.485 7.832 1.00 4.31 O ATOM 748 NE2 GLN A 47 -7.473 -7.941 6.371 1.00 24.45 N ATOM 0 H GLN A 47 -10.578 -6.316 4.426 1.00 65.21 H new ATOM 0 HA GLN A 47 -10.528 -7.617 6.228 1.00 64.01 H new ATOM 0 HB2 GLN A 47 -9.196 -5.281 6.896 1.00 4.51 H new ATOM 0 HB3 GLN A 47 -10.333 -5.441 8.220 1.00 4.51 H new ATOM 0 HG2 GLN A 47 -8.759 -6.766 9.146 1.00 74.11 H new ATOM 0 HG3 GLN A 47 -9.390 -8.001 8.074 1.00 74.11 H new ATOM 0 HE21 GLN A 47 -8.298 -8.456 6.063 1.00 24.45 H new ATOM 0 HE22 GLN A 47 -6.589 -8.050 5.874 1.00 24.45 H new ATOM 757 N GLY A 48 -13.256 -6.718 6.358 1.00 14.53 N ATOM 758 CA GLY A 48 -14.601 -6.785 6.899 1.00 14.10 C ATOM 759 C GLY A 48 -15.127 -5.426 7.318 1.00 64.10 C ATOM 760 O GLY A 48 -16.213 -5.320 7.887 1.00 73.22 O ATOM 0 H GLY A 48 -13.204 -6.708 5.339 1.00 14.53 H new ATOM 0 HA2 GLY A 48 -15.268 -7.215 6.152 1.00 14.10 H new ATOM 0 HA3 GLY A 48 -14.610 -7.455 7.758 1.00 14.10 H new ATOM 764 N LYS A 49 -14.353 -4.383 7.038 1.00 0.42 N ATOM 765 CA LYS A 49 -14.745 -3.023 7.390 1.00 40.14 C ATOM 766 C LYS A 49 -15.168 -2.241 6.150 1.00 34.22 C ATOM 767 O LYS A 49 -14.766 -2.566 5.034 1.00 71.44 O ATOM 768 CB LYS A 49 -13.591 -2.302 8.090 1.00 21.44 C ATOM 769 CG LYS A 49 -13.913 -1.877 9.512 1.00 14.04 C ATOM 770 CD LYS A 49 -12.961 -2.510 10.513 1.00 11.33 C ATOM 771 CE LYS A 49 -13.147 -4.018 10.583 1.00 13.43 C ATOM 772 NZ LYS A 49 -13.648 -4.453 11.916 1.00 33.32 N ATOM 0 H LYS A 49 -13.450 -4.453 6.568 1.00 0.42 H new ATOM 0 HA LYS A 49 -15.595 -3.081 8.070 1.00 40.14 H new ATOM 0 HB2 LYS A 49 -12.720 -2.957 8.104 1.00 21.44 H new ATOM 0 HB3 LYS A 49 -13.318 -1.421 7.509 1.00 21.44 H new ATOM 0 HG2 LYS A 49 -13.855 -0.791 9.590 1.00 14.04 H new ATOM 0 HG3 LYS A 49 -14.937 -2.160 9.754 1.00 14.04 H new ATOM 0 HD2 LYS A 49 -11.933 -2.282 10.233 1.00 11.33 H new ATOM 0 HD3 LYS A 49 -13.127 -2.076 11.499 1.00 11.33 H new ATOM 0 HE2 LYS A 49 -13.848 -4.334 9.811 1.00 13.43 H new ATOM 0 HE3 LYS A 49 -12.198 -4.511 10.373 1.00 13.43 H new ATOM 0 HZ1 LYS A 49 -13.762 -5.487 11.924 1.00 33.32 H new ATOM 0 HZ2 LYS A 49 -12.967 -4.174 12.651 1.00 33.32 H new ATOM 0 HZ3 LYS A 49 -14.566 -4.002 12.106 1.00 33.32 H new ATOM 786 N GLN A 50 -15.981 -1.209 6.356 1.00 63.53 N ATOM 787 CA GLN A 50 -16.457 -0.382 5.254 1.00 51.41 C ATOM 788 C GLN A 50 -15.928 1.043 5.375 1.00 4.42 C ATOM 789 O GLN A 50 -15.537 1.482 6.458 1.00 30.21 O ATOM 790 CB GLN A 50 -17.986 -0.369 5.222 1.00 74.12 C ATOM 791 CG GLN A 50 -18.610 -1.743 5.407 1.00 71.03 C ATOM 792 CD GLN A 50 -19.859 -1.935 4.569 1.00 41.51 C ATOM 793 OE1 GLN A 50 -19.785 -2.085 3.349 1.00 31.41 O ATOM 794 NE2 GLN A 50 -21.016 -1.930 5.221 1.00 42.33 N ATOM 0 H GLN A 50 -16.323 -0.927 7.275 1.00 63.53 H new ATOM 0 HA GLN A 50 -16.084 -0.811 4.324 1.00 51.41 H new ATOM 0 HB2 GLN A 50 -18.352 0.295 6.005 1.00 74.12 H new ATOM 0 HB3 GLN A 50 -18.318 0.046 4.270 1.00 74.12 H new ATOM 0 HG2 GLN A 50 -17.879 -2.508 5.144 1.00 71.03 H new ATOM 0 HG3 GLN A 50 -18.857 -1.887 6.459 1.00 71.03 H new ATOM 0 HE21 GLN A 50 -21.031 -1.802 6.233 1.00 42.33 H new ATOM 0 HE22 GLN A 50 -21.890 -2.054 4.710 1.00 42.33 H new ATOM 803 N LEU A 51 -15.917 1.762 4.258 1.00 4.21 N ATOM 804 CA LEU A 51 -15.434 3.139 4.239 1.00 74.12 C ATOM 805 C LEU A 51 -13.963 3.206 4.635 1.00 10.13 C ATOM 806 O LEU A 51 -13.624 3.112 5.814 1.00 3.23 O ATOM 807 CB LEU A 51 -16.269 4.006 5.183 1.00 20.33 C ATOM 808 CG LEU A 51 -17.770 3.713 5.213 1.00 44.22 C ATOM 809 CD1 LEU A 51 -18.446 4.506 6.320 1.00 13.02 C ATOM 810 CD2 LEU A 51 -18.401 4.030 3.865 1.00 12.00 C ATOM 0 H LEU A 51 -16.237 1.415 3.354 1.00 4.21 H new ATOM 0 HA LEU A 51 -15.534 3.519 3.222 1.00 74.12 H new ATOM 0 HB2 LEU A 51 -15.876 3.890 6.193 1.00 20.33 H new ATOM 0 HB3 LEU A 51 -16.129 5.050 4.904 1.00 20.33 H new ATOM 0 HG LEU A 51 -17.911 2.652 5.417 1.00 44.22 H new ATOM 0 HD11 LEU A 51 -19.513 4.285 6.326 1.00 13.02 H new ATOM 0 HD12 LEU A 51 -18.013 4.231 7.282 1.00 13.02 H new ATOM 0 HD13 LEU A 51 -18.297 5.572 6.147 1.00 13.02 H new ATOM 0 HD21 LEU A 51 -19.469 3.816 3.904 1.00 12.00 H new ATOM 0 HD22 LEU A 51 -18.251 5.084 3.632 1.00 12.00 H new ATOM 0 HD23 LEU A 51 -17.936 3.417 3.093 1.00 12.00 H new ATOM 822 N GLU A 52 -13.095 3.371 3.642 1.00 3.33 N ATOM 823 CA GLU A 52 -11.660 3.453 3.889 1.00 62.32 C ATOM 824 C GLU A 52 -11.080 4.739 3.308 1.00 51.21 C ATOM 825 O GLU A 52 -9.887 5.012 3.443 1.00 31.51 O ATOM 826 CB GLU A 52 -10.947 2.241 3.285 1.00 23.11 C ATOM 827 CG GLU A 52 -11.665 0.925 3.534 1.00 53.51 C ATOM 828 CD GLU A 52 -12.433 0.441 2.319 1.00 1.22 C ATOM 829 OE1 GLU A 52 -12.703 1.264 1.420 1.00 45.50 O ATOM 830 OE2 GLU A 52 -12.764 -0.762 2.268 1.00 23.12 O ATOM 0 H GLU A 52 -13.360 3.450 2.660 1.00 3.33 H new ATOM 0 HA GLU A 52 -11.503 3.459 4.968 1.00 62.32 H new ATOM 0 HB2 GLU A 52 -10.842 2.390 2.210 1.00 23.11 H new ATOM 0 HB3 GLU A 52 -9.940 2.180 3.698 1.00 23.11 H new ATOM 0 HG2 GLU A 52 -10.937 0.168 3.825 1.00 53.51 H new ATOM 0 HG3 GLU A 52 -12.353 1.043 4.371 1.00 53.51 H new ATOM 837 N ASP A 53 -11.933 5.526 2.661 1.00 62.11 N ATOM 838 CA ASP A 53 -11.507 6.784 2.059 1.00 3.24 C ATOM 839 C ASP A 53 -10.788 7.659 3.082 1.00 51.34 C ATOM 840 O ASP A 53 -9.786 8.301 2.768 1.00 71.34 O ATOM 841 CB ASP A 53 -12.710 7.533 1.485 1.00 73.10 C ATOM 842 CG ASP A 53 -12.420 8.139 0.126 1.00 13.21 C ATOM 843 OD1 ASP A 53 -11.596 9.074 0.058 1.00 41.41 O ATOM 844 OD2 ASP A 53 -13.019 7.679 -0.869 1.00 45.12 O ATOM 0 H ASP A 53 -12.924 5.315 2.540 1.00 62.11 H new ATOM 0 HA ASP A 53 -10.813 6.555 1.251 1.00 3.24 H new ATOM 0 HB2 ASP A 53 -13.554 6.849 1.402 1.00 73.10 H new ATOM 0 HB3 ASP A 53 -13.006 8.322 2.176 1.00 73.10 H new ATOM 849 N GLU A 54 -11.308 7.681 4.305 1.00 72.52 N ATOM 850 CA GLU A 54 -10.717 8.479 5.372 1.00 25.20 C ATOM 851 C GLU A 54 -9.345 7.935 5.762 1.00 40.12 C ATOM 852 O GLU A 54 -8.519 8.650 6.330 1.00 52.01 O ATOM 853 CB GLU A 54 -11.636 8.498 6.595 1.00 71.32 C ATOM 854 CG GLU A 54 -10.990 9.097 7.833 1.00 53.02 C ATOM 855 CD GLU A 54 -12.006 9.492 8.887 1.00 21.24 C ATOM 856 OE1 GLU A 54 -12.917 8.685 9.166 1.00 53.13 O ATOM 857 OE2 GLU A 54 -11.888 10.608 9.435 1.00 53.43 O ATOM 0 H GLU A 54 -12.137 7.155 4.581 1.00 72.52 H new ATOM 0 HA GLU A 54 -10.594 9.497 5.003 1.00 25.20 H new ATOM 0 HB2 GLU A 54 -12.535 9.065 6.354 1.00 71.32 H new ATOM 0 HB3 GLU A 54 -11.952 7.479 6.817 1.00 71.32 H new ATOM 0 HG2 GLU A 54 -10.292 8.377 8.259 1.00 53.02 H new ATOM 0 HG3 GLU A 54 -10.409 9.974 7.547 1.00 53.02 H new ATOM 864 N LYS A 55 -9.109 6.664 5.453 1.00 53.52 N ATOM 865 CA LYS A 55 -7.839 6.023 5.769 1.00 62.40 C ATOM 866 C LYS A 55 -6.900 6.053 4.567 1.00 31.30 C ATOM 867 O LYS A 55 -6.166 5.097 4.317 1.00 72.52 O ATOM 868 CB LYS A 55 -8.071 4.576 6.212 1.00 1.42 C ATOM 869 CG LYS A 55 -8.470 4.444 7.672 1.00 52.14 C ATOM 870 CD LYS A 55 -9.955 4.698 7.869 1.00 74.54 C ATOM 871 CE LYS A 55 -10.579 3.666 8.796 1.00 23.32 C ATOM 872 NZ LYS A 55 -10.527 4.097 10.220 1.00 2.25 N ATOM 0 H LYS A 55 -9.782 6.058 4.984 1.00 53.52 H new ATOM 0 HA LYS A 55 -7.374 6.577 6.585 1.00 62.40 H new ATOM 0 HB2 LYS A 55 -8.850 4.135 5.590 1.00 1.42 H new ATOM 0 HB3 LYS A 55 -7.161 4.001 6.039 1.00 1.42 H new ATOM 0 HG2 LYS A 55 -8.220 3.445 8.030 1.00 52.14 H new ATOM 0 HG3 LYS A 55 -7.896 5.150 8.272 1.00 52.14 H new ATOM 0 HD2 LYS A 55 -10.103 5.696 8.282 1.00 74.54 H new ATOM 0 HD3 LYS A 55 -10.460 4.674 6.904 1.00 74.54 H new ATOM 0 HE2 LYS A 55 -11.616 3.497 8.505 1.00 23.32 H new ATOM 0 HE3 LYS A 55 -10.057 2.715 8.685 1.00 23.32 H new ATOM 0 HZ1 LYS A 55 -10.962 3.367 10.820 1.00 2.25 H new ATOM 0 HZ2 LYS A 55 -9.536 4.234 10.505 1.00 2.25 H new ATOM 0 HZ3 LYS A 55 -11.046 4.991 10.331 1.00 2.25 H new ATOM 886 N ARG A 56 -6.928 7.157 3.828 1.00 71.34 N ATOM 887 CA ARG A 56 -6.079 7.311 2.652 1.00 33.33 C ATOM 888 C ARG A 56 -4.639 6.916 2.966 1.00 32.13 C ATOM 889 O ARG A 56 -4.206 5.806 2.653 1.00 41.21 O ATOM 890 CB ARG A 56 -6.125 8.755 2.149 1.00 33.34 C ATOM 891 CG ARG A 56 -6.322 9.779 3.255 1.00 33.21 C ATOM 892 CD ARG A 56 -7.756 10.285 3.297 1.00 22.40 C ATOM 893 NE ARG A 56 -7.824 11.713 3.593 1.00 3.12 N ATOM 894 CZ ARG A 56 -7.603 12.225 4.799 1.00 60.01 C ATOM 895 NH1 ARG A 56 -7.301 11.429 5.816 1.00 53.25 N ATOM 896 NH2 ARG A 56 -7.683 13.536 4.989 1.00 34.34 N ATOM 0 H ARG A 56 -7.529 7.958 4.022 1.00 71.34 H new ATOM 0 HA ARG A 56 -6.457 6.650 1.872 1.00 33.33 H new ATOM 0 HB2 ARG A 56 -5.197 8.977 1.621 1.00 33.34 H new ATOM 0 HB3 ARG A 56 -6.935 8.853 1.426 1.00 33.34 H new ATOM 0 HG2 ARG A 56 -6.064 9.333 4.216 1.00 33.21 H new ATOM 0 HG3 ARG A 56 -5.643 10.618 3.101 1.00 33.21 H new ATOM 0 HD2 ARG A 56 -8.237 10.090 2.339 1.00 22.40 H new ATOM 0 HD3 ARG A 56 -8.314 9.731 4.052 1.00 22.40 H new ATOM 0 HE ARG A 56 -8.054 12.353 2.832 1.00 3.12 H new ATOM 0 HH11 ARG A 56 -7.238 10.421 5.673 1.00 53.25 H new ATOM 0 HH12 ARG A 56 -7.132 11.825 6.741 1.00 53.25 H new ATOM 0 HH21 ARG A 56 -7.914 14.151 4.209 1.00 34.34 H new ATOM 0 HH22 ARG A 56 -7.513 13.928 5.915 1.00 34.34 H new ATOM 910 N LEU A 57 -3.902 7.831 3.586 1.00 31.10 N ATOM 911 CA LEU A 57 -2.510 7.579 3.942 1.00 11.13 C ATOM 912 C LEU A 57 -2.398 6.396 4.899 1.00 52.12 C ATOM 913 O LEU A 57 -1.440 5.625 4.841 1.00 51.12 O ATOM 914 CB LEU A 57 -1.893 8.825 4.580 1.00 42.12 C ATOM 915 CG LEU A 57 -0.371 8.945 4.483 1.00 35.10 C ATOM 916 CD1 LEU A 57 0.060 10.396 4.628 1.00 70.00 C ATOM 917 CD2 LEU A 57 0.300 8.079 5.539 1.00 70.11 C ATOM 0 H LEU A 57 -4.245 8.754 3.853 1.00 31.10 H new ATOM 0 HA LEU A 57 -1.965 7.337 3.029 1.00 11.13 H new ATOM 0 HB2 LEU A 57 -2.337 9.705 4.115 1.00 42.12 H new ATOM 0 HB3 LEU A 57 -2.173 8.846 5.633 1.00 42.12 H new ATOM 0 HG LEU A 57 -0.059 8.592 3.500 1.00 35.10 H new ATOM 0 HD11 LEU A 57 1.146 10.462 4.556 1.00 70.00 H new ATOM 0 HD12 LEU A 57 -0.393 10.991 3.835 1.00 70.00 H new ATOM 0 HD13 LEU A 57 -0.264 10.777 5.597 1.00 70.00 H new ATOM 0 HD21 LEU A 57 1.382 8.176 5.455 1.00 70.11 H new ATOM 0 HD22 LEU A 57 -0.018 8.402 6.530 1.00 70.11 H new ATOM 0 HD23 LEU A 57 0.017 7.037 5.389 1.00 70.11 H new ATOM 929 N LYS A 58 -3.385 6.257 5.777 1.00 11.15 N ATOM 930 CA LYS A 58 -3.401 5.166 6.745 1.00 42.31 C ATOM 931 C LYS A 58 -3.361 3.814 6.041 1.00 70.13 C ATOM 932 O LYS A 58 -2.890 2.825 6.602 1.00 32.44 O ATOM 933 CB LYS A 58 -4.648 5.257 7.627 1.00 11.50 C ATOM 934 CG LYS A 58 -4.339 5.487 9.096 1.00 24.22 C ATOM 935 CD LYS A 58 -4.800 4.319 9.952 1.00 3.11 C ATOM 936 CE LYS A 58 -4.635 4.616 11.435 1.00 73.31 C ATOM 937 NZ LYS A 58 -3.815 3.579 12.120 1.00 1.03 N ATOM 0 H LYS A 58 -4.185 6.887 5.839 1.00 11.15 H new ATOM 0 HA LYS A 58 -2.514 5.256 7.371 1.00 42.31 H new ATOM 0 HB2 LYS A 58 -5.280 6.069 7.266 1.00 11.50 H new ATOM 0 HB3 LYS A 58 -5.223 4.336 7.525 1.00 11.50 H new ATOM 0 HG2 LYS A 58 -3.266 5.633 9.225 1.00 24.22 H new ATOM 0 HG3 LYS A 58 -4.828 6.401 9.433 1.00 24.22 H new ATOM 0 HD2 LYS A 58 -5.846 4.100 9.738 1.00 3.11 H new ATOM 0 HD3 LYS A 58 -4.228 3.428 9.692 1.00 3.11 H new ATOM 0 HE2 LYS A 58 -4.165 5.592 11.560 1.00 73.31 H new ATOM 0 HE3 LYS A 58 -5.617 4.672 11.906 1.00 73.31 H new ATOM 0 HZ1 LYS A 58 -3.726 3.817 13.128 1.00 1.03 H new ATOM 0 HZ2 LYS A 58 -4.276 2.652 12.023 1.00 1.03 H new ATOM 0 HZ3 LYS A 58 -2.870 3.543 11.688 1.00 1.03 H new ATOM 951 N ASP A 59 -3.856 3.779 4.809 1.00 73.14 N ATOM 952 CA ASP A 59 -3.875 2.548 4.027 1.00 42.13 C ATOM 953 C ASP A 59 -2.525 2.308 3.358 1.00 4.54 C ATOM 954 O ASP A 59 -2.240 1.207 2.888 1.00 73.21 O ATOM 955 CB ASP A 59 -4.978 2.607 2.969 1.00 11.20 C ATOM 956 CG ASP A 59 -6.218 1.840 3.383 1.00 73.45 C ATOM 957 OD1 ASP A 59 -6.589 1.907 4.573 1.00 1.44 O ATOM 958 OD2 ASP A 59 -6.819 1.172 2.515 1.00 22.32 O ATOM 0 H ASP A 59 -4.250 4.589 4.330 1.00 73.14 H new ATOM 0 HA ASP A 59 -4.077 1.719 4.706 1.00 42.13 H new ATOM 0 HB2 ASP A 59 -5.243 3.648 2.782 1.00 11.20 H new ATOM 0 HB3 ASP A 59 -4.600 2.201 2.031 1.00 11.20 H new ATOM 963 N TYR A 60 -1.697 3.347 3.319 1.00 32.24 N ATOM 964 CA TYR A 60 -0.378 3.250 2.705 1.00 12.54 C ATOM 965 C TYR A 60 0.586 2.483 3.604 1.00 23.42 C ATOM 966 O TYR A 60 1.632 2.015 3.154 1.00 53.22 O ATOM 967 CB TYR A 60 0.177 4.647 2.418 1.00 72.51 C ATOM 968 CG TYR A 60 1.537 4.633 1.758 1.00 40.23 C ATOM 969 CD1 TYR A 60 1.716 4.066 0.502 1.00 3.31 C ATOM 970 CD2 TYR A 60 2.643 5.189 2.390 1.00 71.34 C ATOM 971 CE1 TYR A 60 2.957 4.051 -0.104 1.00 44.33 C ATOM 972 CE2 TYR A 60 3.888 5.180 1.790 1.00 34.50 C ATOM 973 CZ TYR A 60 4.040 4.609 0.543 1.00 12.34 C ATOM 974 OH TYR A 60 5.277 4.598 -0.058 1.00 24.41 O ATOM 0 H TYR A 60 -1.916 4.265 3.705 1.00 32.24 H new ATOM 0 HA TYR A 60 -0.481 2.706 1.766 1.00 12.54 H new ATOM 0 HB2 TYR A 60 -0.523 5.183 1.777 1.00 72.51 H new ATOM 0 HB3 TYR A 60 0.242 5.203 3.354 1.00 72.51 H new ATOM 0 HD1 TYR A 60 0.870 3.630 -0.009 1.00 3.31 H new ATOM 0 HD2 TYR A 60 2.528 5.636 3.367 1.00 71.34 H new ATOM 0 HE1 TYR A 60 3.079 3.605 -1.080 1.00 44.33 H new ATOM 0 HE2 TYR A 60 4.737 5.617 2.294 1.00 34.50 H new ATOM 0 HH TYR A 60 5.930 5.032 0.530 1.00 24.41 H new ATOM 984 N GLN A 61 0.226 2.357 4.877 1.00 15.03 N ATOM 985 CA GLN A 61 1.058 1.646 5.840 1.00 4.11 C ATOM 986 C GLN A 61 0.790 0.146 5.789 1.00 60.32 C ATOM 987 O GLN A 61 1.459 -0.637 6.463 1.00 73.44 O ATOM 988 CB GLN A 61 0.804 2.174 7.253 1.00 24.44 C ATOM 989 CG GLN A 61 2.057 2.685 7.946 1.00 2.30 C ATOM 990 CD GLN A 61 1.748 3.470 9.206 1.00 63.02 C ATOM 991 OE1 GLN A 61 1.737 2.919 10.307 1.00 3.20 O ATOM 992 NE2 GLN A 61 1.495 4.764 9.050 1.00 4.23 N ATOM 0 H GLN A 61 -0.637 2.738 5.266 1.00 15.03 H new ATOM 0 HA GLN A 61 2.102 1.819 5.577 1.00 4.11 H new ATOM 0 HB2 GLN A 61 0.071 2.980 7.205 1.00 24.44 H new ATOM 0 HB3 GLN A 61 0.364 1.379 7.855 1.00 24.44 H new ATOM 0 HG2 GLN A 61 2.699 1.841 8.197 1.00 2.30 H new ATOM 0 HG3 GLN A 61 2.617 3.317 7.257 1.00 2.30 H new ATOM 0 HE21 GLN A 61 1.515 5.179 8.118 1.00 4.23 H new ATOM 0 HE22 GLN A 61 1.281 5.343 9.862 1.00 4.23 H new ATOM 1001 N MET A 62 -0.193 -0.247 4.985 1.00 22.53 N ATOM 1002 CA MET A 62 -0.549 -1.655 4.846 1.00 43.21 C ATOM 1003 C MET A 62 0.319 -2.333 3.791 1.00 65.11 C ATOM 1004 O MET A 62 1.157 -3.176 4.111 1.00 22.23 O ATOM 1005 CB MET A 62 -2.026 -1.795 4.474 1.00 31.05 C ATOM 1006 CG MET A 62 -2.940 -0.866 5.257 1.00 32.31 C ATOM 1007 SD MET A 62 -2.847 -1.137 7.037 1.00 23.42 S ATOM 1008 CE MET A 62 -4.268 -2.197 7.293 1.00 10.24 C ATOM 0 H MET A 62 -0.757 0.389 4.421 1.00 22.53 H new ATOM 0 HA MET A 62 -0.375 -2.145 5.804 1.00 43.21 H new ATOM 0 HB2 MET A 62 -2.145 -1.596 3.409 1.00 31.05 H new ATOM 0 HB3 MET A 62 -2.339 -2.826 4.642 1.00 31.05 H new ATOM 0 HG2 MET A 62 -2.675 0.168 5.037 1.00 32.31 H new ATOM 0 HG3 MET A 62 -3.968 -1.010 4.925 1.00 32.31 H new ATOM 0 HE1 MET A 62 -4.346 -2.452 8.350 1.00 10.24 H new ATOM 0 HE2 MET A 62 -5.172 -1.676 6.978 1.00 10.24 H new ATOM 0 HE3 MET A 62 -4.152 -3.109 6.707 1.00 10.24 H new ATOM 1018 N SER A 63 0.113 -1.960 2.532 1.00 42.11 N ATOM 1019 CA SER A 63 0.874 -2.536 1.429 1.00 5.35 C ATOM 1020 C SER A 63 0.786 -4.059 1.445 1.00 3.35 C ATOM 1021 O SER A 63 1.684 -4.748 0.963 1.00 23.45 O ATOM 1022 CB SER A 63 2.338 -2.097 1.509 1.00 61.32 C ATOM 1023 OG SER A 63 2.441 -0.705 1.750 1.00 40.33 O ATOM 0 H SER A 63 -0.575 -1.261 2.250 1.00 42.11 H new ATOM 0 HA SER A 63 0.444 -2.175 0.495 1.00 5.35 H new ATOM 0 HB2 SER A 63 2.842 -2.645 2.305 1.00 61.32 H new ATOM 0 HB3 SER A 63 2.847 -2.347 0.578 1.00 61.32 H new ATOM 0 HG SER A 63 3.371 -0.477 1.957 1.00 40.33 H new ATOM 1029 N ALA A 64 -0.303 -4.576 2.004 1.00 71.24 N ATOM 1030 CA ALA A 64 -0.511 -6.017 2.081 1.00 1.23 C ATOM 1031 C ALA A 64 -1.900 -6.343 2.619 1.00 52.03 C ATOM 1032 O ALA A 64 -2.045 -7.122 3.560 1.00 54.30 O ATOM 1033 CB ALA A 64 0.558 -6.658 2.954 1.00 44.15 C ATOM 0 H ALA A 64 -1.055 -4.019 2.410 1.00 71.24 H new ATOM 0 HA ALA A 64 -0.435 -6.425 1.073 1.00 1.23 H new ATOM 0 HB1 ALA A 64 0.391 -7.734 3.003 1.00 44.15 H new ATOM 0 HB2 ALA A 64 1.542 -6.463 2.527 1.00 44.15 H new ATOM 0 HB3 ALA A 64 0.508 -6.237 3.958 1.00 44.15 H new ATOM 1039 N GLY A 65 -2.920 -5.741 2.014 1.00 11.01 N ATOM 1040 CA GLY A 65 -4.285 -5.980 2.447 1.00 44.25 C ATOM 1041 C GLY A 65 -5.223 -6.242 1.286 1.00 72.34 C ATOM 1042 O GLY A 65 -5.384 -5.398 0.405 1.00 2.53 O ATOM 0 H GLY A 65 -2.826 -5.093 1.232 1.00 11.01 H new ATOM 0 HA2 GLY A 65 -4.304 -6.833 3.125 1.00 44.25 H new ATOM 0 HA3 GLY A 65 -4.641 -5.117 3.010 1.00 44.25 H new ATOM 1046 N ALA A 66 -5.844 -7.418 1.282 1.00 3.44 N ATOM 1047 CA ALA A 66 -6.771 -7.789 0.221 1.00 13.21 C ATOM 1048 C ALA A 66 -7.964 -6.839 0.177 1.00 23.42 C ATOM 1049 O ALA A 66 -8.501 -6.452 1.215 1.00 12.23 O ATOM 1050 CB ALA A 66 -7.243 -9.223 0.410 1.00 23.10 C ATOM 0 H ALA A 66 -5.721 -8.130 2.002 1.00 3.44 H new ATOM 0 HA ALA A 66 -6.244 -7.714 -0.730 1.00 13.21 H new ATOM 0 HB1 ALA A 66 -7.935 -9.487 -0.390 1.00 23.10 H new ATOM 0 HB2 ALA A 66 -6.385 -9.895 0.384 1.00 23.10 H new ATOM 0 HB3 ALA A 66 -7.748 -9.316 1.372 1.00 23.10 H new ATOM 1056 N THR A 67 -8.374 -6.467 -1.031 1.00 44.33 N ATOM 1057 CA THR A 67 -9.501 -5.561 -1.210 1.00 73.04 C ATOM 1058 C THR A 67 -10.577 -6.189 -2.089 1.00 31.43 C ATOM 1059 O THR A 67 -10.273 -6.864 -3.073 1.00 34.01 O ATOM 1060 CB THR A 67 -9.056 -4.227 -1.839 1.00 12.02 C ATOM 1061 OG1 THR A 67 -7.648 -4.253 -2.098 1.00 72.31 O ATOM 1062 CG2 THR A 67 -9.386 -3.060 -0.921 1.00 11.32 C ATOM 0 H THR A 67 -7.942 -6.779 -1.901 1.00 44.33 H new ATOM 0 HA THR A 67 -9.911 -5.368 -0.219 1.00 73.04 H new ATOM 0 HB THR A 67 -9.595 -4.095 -2.777 1.00 12.02 H new ATOM 0 HG1 THR A 67 -7.159 -4.068 -1.269 1.00 72.31 H new ATOM 0 HG21 THR A 67 -9.063 -2.129 -1.386 1.00 11.32 H new ATOM 0 HG22 THR A 67 -10.462 -3.025 -0.749 1.00 11.32 H new ATOM 0 HG23 THR A 67 -8.870 -3.189 0.031 1.00 11.32 H new ATOM 1070 N PHE A 68 -11.836 -5.963 -1.728 1.00 21.55 N ATOM 1071 CA PHE A 68 -12.958 -6.508 -2.483 1.00 63.33 C ATOM 1072 C PHE A 68 -13.982 -5.421 -2.796 1.00 30.32 C ATOM 1073 O PHE A 68 -14.629 -4.885 -1.896 1.00 10.03 O ATOM 1074 CB PHE A 68 -13.623 -7.643 -1.702 1.00 55.10 C ATOM 1075 CG PHE A 68 -14.959 -8.050 -2.257 1.00 2.44 C ATOM 1076 CD1 PHE A 68 -16.120 -7.426 -1.829 1.00 71.04 C ATOM 1077 CD2 PHE A 68 -15.053 -9.055 -3.205 1.00 43.13 C ATOM 1078 CE1 PHE A 68 -17.350 -7.799 -2.338 1.00 10.04 C ATOM 1079 CE2 PHE A 68 -16.280 -9.432 -3.717 1.00 40.15 C ATOM 1080 CZ PHE A 68 -17.430 -8.802 -3.284 1.00 30.24 C ATOM 0 H PHE A 68 -12.105 -5.406 -0.917 1.00 21.55 H new ATOM 0 HA PHE A 68 -12.574 -6.902 -3.424 1.00 63.33 H new ATOM 0 HB2 PHE A 68 -12.961 -8.509 -1.700 1.00 55.10 H new ATOM 0 HB3 PHE A 68 -13.748 -7.335 -0.664 1.00 55.10 H new ATOM 0 HD1 PHE A 68 -16.063 -6.640 -1.090 1.00 71.04 H new ATOM 0 HD2 PHE A 68 -14.157 -9.550 -3.548 1.00 43.13 H new ATOM 0 HE1 PHE A 68 -18.248 -7.306 -1.996 1.00 10.04 H new ATOM 0 HE2 PHE A 68 -16.339 -10.218 -4.455 1.00 40.15 H new ATOM 0 HZ PHE A 68 -18.390 -9.093 -3.684 1.00 30.24 H new ATOM 1090 N HIS A 69 -14.123 -5.101 -4.078 1.00 55.21 N ATOM 1091 CA HIS A 69 -15.069 -4.078 -4.511 1.00 1.24 C ATOM 1092 C HIS A 69 -16.427 -4.694 -4.831 1.00 34.01 C ATOM 1093 O HIS A 69 -16.508 -5.815 -5.332 1.00 52.14 O ATOM 1094 CB HIS A 69 -14.529 -3.340 -5.736 1.00 0.31 C ATOM 1095 CG HIS A 69 -13.361 -2.452 -5.434 1.00 63.51 C ATOM 1096 ND1 HIS A 69 -12.342 -2.814 -4.578 1.00 33.42 N ATOM 1097 CD2 HIS A 69 -13.051 -1.213 -5.881 1.00 74.05 C ATOM 1098 CE1 HIS A 69 -11.458 -1.835 -4.510 1.00 70.22 C ATOM 1099 NE2 HIS A 69 -11.865 -0.852 -5.292 1.00 43.25 N ATOM 0 H HIS A 69 -13.595 -5.535 -4.835 1.00 55.21 H new ATOM 0 HA HIS A 69 -15.196 -3.367 -3.695 1.00 1.24 H new ATOM 0 HB2 HIS A 69 -14.234 -4.071 -6.489 1.00 0.31 H new ATOM 0 HB3 HIS A 69 -15.329 -2.740 -6.170 1.00 0.31 H new ATOM 0 HD2 HIS A 69 -13.629 -0.619 -6.573 1.00 74.05 H new ATOM 0 HE1 HIS A 69 -10.556 -1.838 -3.916 1.00 70.22 H new ATOM 0 HE2 HIS A 69 -11.377 0.032 -5.435 1.00 43.25 H new ATOM 1107 N MET A 70 -17.492 -3.954 -4.537 1.00 25.22 N ATOM 1108 CA MET A 70 -18.846 -4.429 -4.794 1.00 53.52 C ATOM 1109 C MET A 70 -19.641 -3.398 -5.591 1.00 22.52 C ATOM 1110 O MET A 70 -19.662 -2.216 -5.249 1.00 24.02 O ATOM 1111 CB MET A 70 -19.562 -4.734 -3.477 1.00 4.23 C ATOM 1112 CG MET A 70 -21.048 -5.004 -3.641 1.00 34.30 C ATOM 1113 SD MET A 70 -21.644 -6.302 -2.539 1.00 51.45 S ATOM 1114 CE MET A 70 -21.362 -5.544 -0.941 1.00 33.30 C ATOM 0 H MET A 70 -17.443 -3.024 -4.121 1.00 25.22 H new ATOM 0 HA MET A 70 -18.778 -5.344 -5.382 1.00 53.52 H new ATOM 0 HB2 MET A 70 -19.093 -5.600 -3.010 1.00 4.23 H new ATOM 0 HB3 MET A 70 -19.427 -3.893 -2.796 1.00 4.23 H new ATOM 0 HG2 MET A 70 -21.604 -4.086 -3.449 1.00 34.30 H new ATOM 0 HG3 MET A 70 -21.250 -5.288 -4.674 1.00 34.30 H new ATOM 0 HE1 MET A 70 -21.746 -6.196 -0.156 1.00 33.30 H new ATOM 0 HE2 MET A 70 -20.293 -5.391 -0.794 1.00 33.30 H new ATOM 0 HE3 MET A 70 -21.875 -4.583 -0.898 1.00 33.30 H new ATOM 1124 N VAL A 71 -20.293 -3.855 -6.655 1.00 55.01 N ATOM 1125 CA VAL A 71 -21.090 -2.973 -7.500 1.00 30.12 C ATOM 1126 C VAL A 71 -22.533 -3.457 -7.594 1.00 25.33 C ATOM 1127 O VAL A 71 -22.814 -4.488 -8.205 1.00 53.13 O ATOM 1128 CB VAL A 71 -20.500 -2.872 -8.919 1.00 75.22 C ATOM 1129 CG1 VAL A 71 -21.357 -1.966 -9.790 1.00 41.21 C ATOM 1130 CG2 VAL A 71 -19.065 -2.372 -8.865 1.00 62.20 C ATOM 0 H VAL A 71 -20.285 -4.831 -6.953 1.00 55.01 H new ATOM 0 HA VAL A 71 -21.071 -1.987 -7.035 1.00 30.12 H new ATOM 0 HB VAL A 71 -20.497 -3.867 -9.364 1.00 75.22 H new ATOM 0 HG11 VAL A 71 -20.925 -1.907 -10.789 1.00 41.21 H new ATOM 0 HG12 VAL A 71 -22.366 -2.372 -9.855 1.00 41.21 H new ATOM 0 HG13 VAL A 71 -21.395 -0.969 -9.351 1.00 41.21 H new ATOM 0 HG21 VAL A 71 -18.664 -2.307 -9.877 1.00 62.20 H new ATOM 0 HG22 VAL A 71 -19.040 -1.386 -8.401 1.00 62.20 H new ATOM 0 HG23 VAL A 71 -18.460 -3.064 -8.279 1.00 62.20 H new ATOM 1140 N VAL A 72 -23.444 -2.706 -6.984 1.00 30.34 N ATOM 1141 CA VAL A 72 -24.859 -3.058 -6.999 1.00 40.34 C ATOM 1142 C VAL A 72 -25.577 -2.394 -8.169 1.00 60.12 C ATOM 1143 O VAL A 72 -25.853 -1.195 -8.142 1.00 24.10 O ATOM 1144 CB VAL A 72 -25.553 -2.649 -5.687 1.00 34.23 C ATOM 1145 CG1 VAL A 72 -26.803 -3.487 -5.460 1.00 65.10 C ATOM 1146 CG2 VAL A 72 -24.594 -2.780 -4.514 1.00 3.13 C ATOM 0 H VAL A 72 -23.228 -1.850 -6.473 1.00 30.34 H new ATOM 0 HA VAL A 72 -24.915 -4.141 -7.108 1.00 40.34 H new ATOM 0 HB VAL A 72 -25.854 -1.604 -5.766 1.00 34.23 H new ATOM 0 HG11 VAL A 72 -27.280 -3.184 -4.528 1.00 65.10 H new ATOM 0 HG12 VAL A 72 -27.496 -3.338 -6.288 1.00 65.10 H new ATOM 0 HG13 VAL A 72 -26.529 -4.540 -5.401 1.00 65.10 H new ATOM 0 HG21 VAL A 72 -25.101 -2.487 -3.595 1.00 3.13 H new ATOM 0 HG22 VAL A 72 -24.261 -3.814 -4.430 1.00 3.13 H new ATOM 0 HG23 VAL A 72 -23.732 -2.133 -4.675 1.00 3.13 H new