USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 525 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 THR OG1 : rot -160:sc= -1.32 USER MOD Set 1.2: A 21 MET CE :methyl -125:sc= -2.47! (180deg=-2.55!) USER MOD Set 2.1: A 14 ASN : amide:sc= -2.28 K(o=-2.3,f=-5.2) USER MOD Set 2.2: A 44 GLN : amide:sc= 0 X(o=-2.3,f=-2.3) USER MOD Set 2.3: A 61 LYS NZ :NH3+ 147:sc=-0.00597 (180deg=-0.526) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 168:sc= -0.0727 (180deg=-0.373) USER MOD Single : A 1 ASN : amide:sc= -0.0171 X(o=-0.017,f=0) USER MOD Single : A 2 GLN : amide:sc= -0.817 K(o=-0.82,f=-0.047) USER MOD Single : A 4 SER OG : rot -94:sc= -0.521 USER MOD Single : A 9 GLN : amide:sc= -4.13! C(o=-4.1!,f=-5!) USER MOD Single : A 15 THR OG1 : rot 69:sc= -2.49 USER MOD Single : A 22 MET CE :methyl -171:sc= -3.04 (180deg=-3.51!) USER MOD Single : A 23 THR OG1 : rot 47:sc= 0.203! USER MOD Single : A 24 THR OG1 : rot 171:sc= 0.00123 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0114 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.156 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -127:sc= -5.7! (180deg=-11.8!) USER MOD Single : A 46 ASN : amide:sc= -10.2! C(o=-10!,f=-6.3!) USER MOD Single : A 47 GLN : amide:sc= -2.11! K(o=-2.1!,f=-1.1) USER MOD Single : A 51 MET CE :methyl 171:sc= -3.49! (180deg=-3.71!) USER MOD Single : A 53 THR OG1 : rot 100:sc= 0.175 USER MOD Single : A 54 THR OG1 : rot 157:sc= -3.87! USER MOD Single : A 56 MET CE :methyl -177:sc= -5.87! (180deg=-6.05!) USER MOD Single : A 59 MET CE :methyl 177:sc= -6.14 (180deg=-6.36) USER MOD Single : A 63 TYR OH : rot 148:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 1.961 0.192 -0.521 1.00 32.23 N ATOM 2 CA MET A 0 2.617 -0.023 -1.799 1.00 73.44 C ATOM 3 C MET A 0 1.726 -0.834 -2.743 1.00 31.21 C ATOM 4 O MET A 0 2.221 -1.498 -3.652 1.00 42.15 O ATOM 5 CB MET A 0 3.936 -0.766 -1.578 1.00 73.21 C ATOM 6 CG MET A 0 3.687 -2.175 -1.036 1.00 61.42 C ATOM 7 SD MET A 0 5.042 -3.249 -1.482 1.00 53.25 S ATOM 8 CE MET A 0 4.158 -4.781 -1.719 1.00 73.33 C ATOM 0 H1 MET A 0 2.650 0.561 0.165 1.00 32.23 H new ATOM 0 H2 MET A 0 1.188 0.878 -0.638 1.00 32.23 H new ATOM 0 H3 MET A 0 1.574 -0.709 -0.173 1.00 32.23 H new ATOM 0 HA MET A 0 2.809 0.948 -2.255 1.00 73.44 H new ATOM 0 HB2 MET A 0 4.486 -0.826 -2.517 1.00 73.21 H new ATOM 0 HB3 MET A 0 4.559 -0.208 -0.879 1.00 73.21 H new ATOM 0 HG2 MET A 0 3.579 -2.143 0.048 1.00 61.42 H new ATOM 0 HG3 MET A 0 2.753 -2.568 -1.437 1.00 61.42 H new ATOM 0 HE1 MET A 0 4.859 -5.565 -2.004 1.00 73.33 H new ATOM 0 HE2 MET A 0 3.659 -5.060 -0.791 1.00 73.33 H new ATOM 0 HE3 MET A 0 3.415 -4.654 -2.507 1.00 73.33 H new ATOM 18 N ASN A 1 0.427 -0.754 -2.494 1.00 2.03 N ATOM 19 CA ASN A 1 -0.537 -1.472 -3.310 1.00 32.14 C ATOM 20 C ASN A 1 -1.200 -0.497 -4.285 1.00 20.21 C ATOM 21 O ASN A 1 -1.621 0.590 -3.892 1.00 23.31 O ATOM 22 CB ASN A 1 -1.635 -2.095 -2.445 1.00 22.11 C ATOM 23 CG ASN A 1 -1.035 -2.842 -1.251 1.00 51.55 C ATOM 24 OD1 ASN A 1 -0.195 -3.716 -1.391 1.00 54.52 O ATOM 25 ND2 ASN A 1 -1.512 -2.450 -0.073 1.00 43.44 N ATOM 0 H ASN A 1 0.020 -0.203 -1.739 1.00 2.03 H new ATOM 0 HA ASN A 1 -0.006 -2.261 -3.843 1.00 32.14 H new ATOM 0 HB2 ASN A 1 -2.309 -1.316 -2.090 1.00 22.11 H new ATOM 0 HB3 ASN A 1 -2.231 -2.782 -3.046 1.00 22.11 H new ATOM 0 HD21 ASN A 1 -1.175 -2.887 0.785 1.00 43.44 H new ATOM 0 HD22 ASN A 1 -2.215 -1.712 -0.027 1.00 43.44 H new ATOM 32 N GLN A 2 -1.272 -0.921 -5.538 1.00 72.21 N ATOM 33 CA GLN A 2 -1.877 -0.099 -6.573 1.00 24.24 C ATOM 34 C GLN A 2 -3.373 -0.400 -6.683 1.00 63.23 C ATOM 35 O GLN A 2 -3.761 -1.486 -7.112 1.00 40.43 O ATOM 36 CB GLN A 2 -1.175 -0.305 -7.916 1.00 70.55 C ATOM 37 CG GLN A 2 -2.010 0.267 -9.064 1.00 65.42 C ATOM 38 CD GLN A 2 -2.148 1.785 -8.938 1.00 1.14 C ATOM 39 OE1 GLN A 2 -1.180 2.527 -8.966 1.00 3.04 O ATOM 40 NE2 GLN A 2 -3.402 2.204 -8.797 1.00 53.34 N ATOM 0 H GLN A 2 -0.921 -1.823 -5.860 1.00 72.21 H new ATOM 0 HA GLN A 2 -1.757 0.948 -6.295 1.00 24.24 H new ATOM 0 HB2 GLN A 2 -0.197 0.177 -7.897 1.00 70.55 H new ATOM 0 HB3 GLN A 2 -1.003 -1.369 -8.081 1.00 70.55 H new ATOM 0 HG2 GLN A 2 -1.543 0.019 -10.017 1.00 65.42 H new ATOM 0 HG3 GLN A 2 -2.998 -0.193 -9.064 1.00 65.42 H new ATOM 0 HE21 GLN A 2 -4.167 1.529 -8.782 1.00 53.34 H new ATOM 0 HE22 GLN A 2 -3.599 3.200 -8.704 1.00 53.34 H new ATOM 49 N GLU A 3 -4.172 0.580 -6.289 1.00 2.22 N ATOM 50 CA GLU A 3 -5.617 0.434 -6.338 1.00 64.23 C ATOM 51 C GLU A 3 -6.143 0.829 -7.719 1.00 52.43 C ATOM 52 O GLU A 3 -6.045 1.989 -8.116 1.00 45.52 O ATOM 53 CB GLU A 3 -6.289 1.258 -5.238 1.00 72.45 C ATOM 54 CG GLU A 3 -6.715 0.367 -4.069 1.00 40.23 C ATOM 55 CD GLU A 3 -7.825 1.030 -3.251 1.00 52.14 C ATOM 56 OE1 GLU A 3 -8.656 0.331 -2.653 1.00 20.14 O ATOM 57 OE2 GLU A 3 -7.805 2.320 -3.250 1.00 74.00 O ATOM 0 H GLU A 3 -3.846 1.479 -5.934 1.00 2.22 H new ATOM 0 HA GLU A 3 -5.864 -0.613 -6.163 1.00 64.23 H new ATOM 0 HB2 GLU A 3 -5.602 2.026 -4.883 1.00 72.45 H new ATOM 0 HB3 GLU A 3 -7.160 1.772 -5.644 1.00 72.45 H new ATOM 0 HG2 GLU A 3 -7.062 -0.594 -4.447 1.00 40.23 H new ATOM 0 HG3 GLU A 3 -5.856 0.166 -3.428 1.00 40.23 H new ATOM 65 N SER A 4 -6.691 -0.157 -8.413 1.00 72.24 N ATOM 66 CA SER A 4 -7.233 0.073 -9.742 1.00 15.44 C ATOM 67 C SER A 4 -8.758 0.186 -9.672 1.00 62.32 C ATOM 68 O SER A 4 -9.383 -0.356 -8.762 1.00 1.22 O ATOM 69 CB SER A 4 -6.827 -1.044 -10.704 1.00 61.11 C ATOM 70 OG SER A 4 -5.420 -1.273 -10.692 1.00 74.53 O ATOM 0 H SER A 4 -6.772 -1.118 -8.080 1.00 72.24 H new ATOM 0 HA SER A 4 -6.822 1.008 -10.122 1.00 15.44 H new ATOM 0 HB2 SER A 4 -7.346 -1.963 -10.432 1.00 61.11 H new ATOM 0 HB3 SER A 4 -7.144 -0.785 -11.714 1.00 61.11 H new ATOM 0 HG SER A 4 -4.998 -0.754 -11.408 1.00 74.53 H new ATOM 76 N VAL A 5 -9.312 0.892 -10.646 1.00 50.43 N ATOM 77 CA VAL A 5 -10.751 1.083 -10.707 1.00 73.32 C ATOM 78 C VAL A 5 -11.432 -0.272 -10.915 1.00 51.42 C ATOM 79 O VAL A 5 -10.992 -1.072 -11.739 1.00 41.44 O ATOM 80 CB VAL A 5 -11.099 2.100 -11.796 1.00 0.12 C ATOM 81 CG1 VAL A 5 -12.613 2.195 -11.994 1.00 50.01 C ATOM 82 CG2 VAL A 5 -10.501 3.471 -11.476 1.00 3.42 C ATOM 0 H VAL A 5 -8.790 1.339 -11.400 1.00 50.43 H new ATOM 0 HA VAL A 5 -11.122 1.493 -9.768 1.00 73.32 H new ATOM 0 HB VAL A 5 -10.660 1.753 -12.731 1.00 0.12 H new ATOM 0 HG11 VAL A 5 -12.833 2.925 -12.773 1.00 50.01 H new ATOM 0 HG12 VAL A 5 -13.003 1.221 -12.288 1.00 50.01 H new ATOM 0 HG13 VAL A 5 -13.083 2.507 -11.061 1.00 50.01 H new ATOM 0 HG21 VAL A 5 -10.763 4.175 -12.265 1.00 3.42 H new ATOM 0 HG22 VAL A 5 -10.897 3.828 -10.525 1.00 3.42 H new ATOM 0 HG23 VAL A 5 -9.416 3.388 -11.409 1.00 3.42 H new ATOM 92 N VAL A 6 -12.495 -0.487 -10.154 1.00 3.12 N ATOM 93 CA VAL A 6 -13.241 -1.731 -10.244 1.00 43.42 C ATOM 94 C VAL A 6 -14.734 -1.417 -10.359 1.00 21.42 C ATOM 95 O VAL A 6 -15.289 -0.707 -9.522 1.00 22.00 O ATOM 96 CB VAL A 6 -12.908 -2.628 -9.051 1.00 20.42 C ATOM 97 CG1 VAL A 6 -13.624 -3.976 -9.162 1.00 14.42 C ATOM 98 CG2 VAL A 6 -11.396 -2.821 -8.914 1.00 53.30 C ATOM 0 H VAL A 6 -12.858 0.179 -9.472 1.00 3.12 H new ATOM 0 HA VAL A 6 -12.955 -2.285 -11.138 1.00 43.42 H new ATOM 0 HB VAL A 6 -13.265 -2.131 -8.149 1.00 20.42 H new ATOM 0 HG11 VAL A 6 -13.370 -4.595 -8.301 1.00 14.42 H new ATOM 0 HG12 VAL A 6 -14.702 -3.815 -9.188 1.00 14.42 H new ATOM 0 HG13 VAL A 6 -13.311 -4.480 -10.076 1.00 14.42 H new ATOM 0 HG21 VAL A 6 -11.187 -3.463 -8.058 1.00 53.30 H new ATOM 0 HG22 VAL A 6 -11.005 -3.285 -9.819 1.00 53.30 H new ATOM 0 HG23 VAL A 6 -10.917 -1.853 -8.767 1.00 53.30 H new ATOM 108 N ALA A 7 -15.342 -1.963 -11.402 1.00 1.11 N ATOM 109 CA ALA A 7 -16.760 -1.751 -11.637 1.00 11.32 C ATOM 110 C ALA A 7 -17.532 -2.010 -10.341 1.00 63.54 C ATOM 111 O ALA A 7 -17.708 -3.160 -9.940 1.00 12.54 O ATOM 112 CB ALA A 7 -17.228 -2.649 -12.784 1.00 43.40 C ATOM 0 H ALA A 7 -14.878 -2.552 -12.094 1.00 1.11 H new ATOM 0 HA ALA A 7 -16.950 -0.719 -11.933 1.00 11.32 H new ATOM 0 HB1 ALA A 7 -18.292 -2.490 -12.960 1.00 43.40 H new ATOM 0 HB2 ALA A 7 -16.670 -2.405 -13.688 1.00 43.40 H new ATOM 0 HB3 ALA A 7 -17.056 -3.693 -12.522 1.00 43.40 H new ATOM 118 N ALA A 8 -17.971 -0.924 -9.724 1.00 3.33 N ATOM 119 CA ALA A 8 -18.719 -1.020 -8.482 1.00 53.50 C ATOM 120 C ALA A 8 -20.030 -1.765 -8.738 1.00 74.42 C ATOM 121 O ALA A 8 -20.584 -2.384 -7.831 1.00 32.31 O ATOM 122 CB ALA A 8 -18.948 0.383 -7.914 1.00 24.41 C ATOM 0 H ALA A 8 -17.823 0.027 -10.061 1.00 3.33 H new ATOM 0 HA ALA A 8 -18.157 -1.586 -7.739 1.00 53.50 H new ATOM 0 HB1 ALA A 8 -19.509 0.311 -6.982 1.00 24.41 H new ATOM 0 HB2 ALA A 8 -17.987 0.860 -7.723 1.00 24.41 H new ATOM 0 HB3 ALA A 8 -19.512 0.979 -8.632 1.00 24.41 H new ATOM 128 N GLN A 9 -20.489 -1.682 -9.978 1.00 41.15 N ATOM 129 CA GLN A 9 -21.725 -2.341 -10.366 1.00 25.35 C ATOM 130 C GLN A 9 -21.720 -2.639 -11.866 1.00 41.34 C ATOM 131 O GLN A 9 -20.788 -2.262 -12.575 1.00 4.34 O ATOM 132 CB GLN A 9 -22.941 -1.498 -9.977 1.00 62.15 C ATOM 133 CG GLN A 9 -22.645 -0.005 -10.134 1.00 35.10 C ATOM 134 CD GLN A 9 -23.883 0.835 -9.814 1.00 14.20 C ATOM 135 OE1 GLN A 9 -24.062 1.331 -8.713 1.00 65.15 O ATOM 136 NE2 GLN A 9 -24.726 0.967 -10.834 1.00 52.24 N ATOM 0 H GLN A 9 -20.027 -1.168 -10.728 1.00 41.15 H new ATOM 0 HA GLN A 9 -21.794 -3.287 -9.829 1.00 25.35 H new ATOM 0 HB2 GLN A 9 -23.792 -1.771 -10.601 1.00 62.15 H new ATOM 0 HB3 GLN A 9 -23.221 -1.711 -8.945 1.00 62.15 H new ATOM 0 HG2 GLN A 9 -21.827 0.279 -9.472 1.00 35.10 H new ATOM 0 HG3 GLN A 9 -22.316 0.199 -11.153 1.00 35.10 H new ATOM 0 HE21 GLN A 9 -24.516 0.526 -11.729 1.00 52.24 H new ATOM 0 HE22 GLN A 9 -25.582 1.509 -10.721 1.00 52.24 H new ATOM 145 N LEU A 10 -22.772 -3.312 -12.307 1.00 74.10 N ATOM 146 CA LEU A 10 -22.901 -3.664 -13.711 1.00 33.52 C ATOM 147 C LEU A 10 -22.881 -2.389 -14.556 1.00 72.31 C ATOM 148 O LEU A 10 -23.791 -1.567 -14.467 1.00 13.33 O ATOM 149 CB LEU A 10 -24.143 -4.531 -13.934 1.00 5.21 C ATOM 150 CG LEU A 10 -24.500 -4.828 -15.392 1.00 0.33 C ATOM 151 CD1 LEU A 10 -23.715 -6.032 -15.914 1.00 60.42 C ATOM 152 CD2 LEU A 10 -26.010 -5.011 -15.560 1.00 3.32 C ATOM 0 H LEU A 10 -23.543 -3.623 -11.717 1.00 74.10 H new ATOM 0 HA LEU A 10 -22.055 -4.272 -14.031 1.00 33.52 H new ATOM 0 HB2 LEU A 10 -23.998 -5.479 -13.416 1.00 5.21 H new ATOM 0 HB3 LEU A 10 -24.995 -4.038 -13.465 1.00 5.21 H new ATOM 0 HG LEU A 10 -24.211 -3.969 -15.997 1.00 0.33 H new ATOM 0 HD11 LEU A 10 -23.987 -6.222 -16.952 1.00 60.42 H new ATOM 0 HD12 LEU A 10 -22.647 -5.825 -15.851 1.00 60.42 H new ATOM 0 HD13 LEU A 10 -23.951 -6.909 -15.311 1.00 60.42 H new ATOM 0 HD21 LEU A 10 -26.237 -5.221 -16.605 1.00 3.32 H new ATOM 0 HD22 LEU A 10 -26.347 -5.843 -14.941 1.00 3.32 H new ATOM 0 HD23 LEU A 10 -26.523 -4.100 -15.253 1.00 3.32 H new ATOM 164 N ILE A 11 -21.833 -2.265 -15.357 1.00 75.24 N ATOM 165 CA ILE A 11 -21.683 -1.104 -16.218 1.00 61.21 C ATOM 166 C ILE A 11 -21.788 -1.542 -17.680 1.00 44.34 C ATOM 167 O ILE A 11 -20.878 -2.180 -18.208 1.00 31.02 O ATOM 168 CB ILE A 11 -20.387 -0.359 -15.890 1.00 55.25 C ATOM 169 CG1 ILE A 11 -20.383 0.121 -14.438 1.00 33.25 C ATOM 170 CG2 ILE A 11 -20.152 0.789 -16.874 1.00 1.42 C ATOM 171 CD1 ILE A 11 -18.979 0.034 -13.835 1.00 75.34 C ATOM 0 H ILE A 11 -21.080 -2.949 -15.428 1.00 75.24 H new ATOM 0 HA ILE A 11 -22.488 -0.391 -16.041 1.00 61.21 H new ATOM 0 HB ILE A 11 -19.555 -1.054 -16.001 1.00 55.25 H new ATOM 0 HG12 ILE A 11 -20.740 1.150 -14.390 1.00 33.25 H new ATOM 0 HG13 ILE A 11 -21.073 -0.483 -13.850 1.00 33.25 H new ATOM 0 HG21 ILE A 11 -19.225 1.303 -16.619 1.00 1.42 H new ATOM 0 HG22 ILE A 11 -20.080 0.392 -17.886 1.00 1.42 H new ATOM 0 HG23 ILE A 11 -20.983 1.492 -16.818 1.00 1.42 H new ATOM 0 HD11 ILE A 11 -19.004 0.381 -12.802 1.00 75.34 H new ATOM 0 HD12 ILE A 11 -18.635 -1.000 -13.862 1.00 75.34 H new ATOM 0 HD13 ILE A 11 -18.296 0.659 -14.411 1.00 75.34 H new ATOM 183 N PRO A 12 -22.935 -1.171 -18.310 1.00 64.44 N ATOM 184 CA PRO A 12 -23.170 -1.519 -19.701 1.00 51.35 C ATOM 185 C PRO A 12 -22.333 -0.642 -20.635 1.00 13.41 C ATOM 186 O PRO A 12 -21.800 0.385 -20.216 1.00 32.30 O ATOM 187 CB PRO A 12 -24.666 -1.342 -19.903 1.00 72.22 C ATOM 188 CG PRO A 12 -25.140 -0.462 -18.758 1.00 52.22 C ATOM 189 CD PRO A 12 -24.034 -0.415 -17.717 1.00 64.03 C ATOM 0 HA PRO A 12 -22.867 -2.539 -19.936 1.00 51.35 H new ATOM 0 HB2 PRO A 12 -24.878 -0.877 -20.866 1.00 72.22 H new ATOM 0 HB3 PRO A 12 -25.178 -2.304 -19.894 1.00 72.22 H new ATOM 0 HG2 PRO A 12 -25.369 0.541 -19.117 1.00 52.22 H new ATOM 0 HG3 PRO A 12 -26.056 -0.862 -18.324 1.00 52.22 H new ATOM 0 HD2 PRO A 12 -23.737 0.611 -17.500 1.00 64.03 H new ATOM 0 HD3 PRO A 12 -24.357 -0.859 -16.775 1.00 64.03 H new ATOM 197 N ILE A 13 -22.244 -1.078 -21.883 1.00 13.22 N ATOM 198 CA ILE A 13 -21.482 -0.345 -22.879 1.00 64.01 C ATOM 199 C ILE A 13 -22.192 0.974 -23.191 1.00 33.50 C ATOM 200 O ILE A 13 -23.418 1.016 -23.282 1.00 72.41 O ATOM 201 CB ILE A 13 -21.234 -1.217 -24.112 1.00 0.30 C ATOM 202 CG1 ILE A 13 -20.348 -0.491 -25.127 1.00 73.53 C ATOM 203 CG2 ILE A 13 -22.555 -1.679 -24.731 1.00 23.34 C ATOM 204 CD1 ILE A 13 -20.449 -1.144 -26.507 1.00 52.05 C ATOM 0 H ILE A 13 -22.687 -1.930 -22.227 1.00 13.22 H new ATOM 0 HA ILE A 13 -20.495 -0.091 -22.492 1.00 64.01 H new ATOM 0 HB ILE A 13 -20.696 -2.111 -23.796 1.00 0.30 H new ATOM 0 HG12 ILE A 13 -20.646 0.555 -25.193 1.00 73.53 H new ATOM 0 HG13 ILE A 13 -19.312 -0.507 -24.788 1.00 73.53 H new ATOM 0 HG21 ILE A 13 -22.351 -2.297 -25.605 1.00 23.34 H new ATOM 0 HG22 ILE A 13 -23.116 -2.260 -23.999 1.00 23.34 H new ATOM 0 HG23 ILE A 13 -23.140 -0.810 -25.030 1.00 23.34 H new ATOM 0 HD11 ILE A 13 -19.810 -0.610 -27.210 1.00 52.05 H new ATOM 0 HD12 ILE A 13 -20.127 -2.183 -26.442 1.00 52.05 H new ATOM 0 HD13 ILE A 13 -21.482 -1.105 -26.853 1.00 52.05 H new ATOM 216 N ASN A 14 -21.392 2.018 -23.346 1.00 21.10 N ATOM 217 CA ASN A 14 -21.929 3.334 -23.646 1.00 10.44 C ATOM 218 C ASN A 14 -22.653 3.878 -22.412 1.00 72.13 C ATOM 219 O ASN A 14 -23.595 4.659 -22.535 1.00 53.02 O ATOM 220 CB ASN A 14 -22.937 3.270 -24.795 1.00 65.41 C ATOM 221 CG ASN A 14 -22.463 2.306 -25.885 1.00 75.22 C ATOM 222 OD1 ASN A 14 -21.385 2.436 -26.440 1.00 42.51 O ATOM 223 ND2 ASN A 14 -23.328 1.333 -26.160 1.00 12.50 N ATOM 0 H ASN A 14 -20.376 1.979 -23.269 1.00 21.10 H new ATOM 0 HA ASN A 14 -21.098 3.980 -23.931 1.00 10.44 H new ATOM 0 HB2 ASN A 14 -23.907 2.948 -24.416 1.00 65.41 H new ATOM 0 HB3 ASN A 14 -23.075 4.265 -25.219 1.00 65.41 H new ATOM 0 HD21 ASN A 14 -23.105 0.639 -26.873 1.00 12.50 H new ATOM 0 HD22 ASN A 14 -24.214 1.282 -25.658 1.00 12.50 H new ATOM 230 N THR A 15 -22.185 3.443 -21.251 1.00 75.05 N ATOM 231 CA THR A 15 -22.777 3.876 -19.997 1.00 2.12 C ATOM 232 C THR A 15 -21.866 4.889 -19.300 1.00 33.12 C ATOM 233 O THR A 15 -20.775 4.542 -18.851 1.00 20.03 O ATOM 234 CB THR A 15 -23.059 2.632 -19.153 1.00 35.41 C ATOM 235 OG1 THR A 15 -23.810 1.787 -20.021 1.00 35.03 O ATOM 236 CG2 THR A 15 -24.014 2.916 -17.992 1.00 13.03 C ATOM 0 H THR A 15 -21.403 2.795 -21.153 1.00 75.05 H new ATOM 0 HA THR A 15 -23.721 4.395 -20.163 1.00 2.12 H new ATOM 0 HB THR A 15 -22.121 2.238 -18.763 1.00 35.41 H new ATOM 0 HG1 THR A 15 -23.233 1.467 -20.746 1.00 35.03 H new ATOM 0 HG21 THR A 15 -24.180 2.000 -17.425 1.00 13.03 H new ATOM 0 HG22 THR A 15 -23.578 3.672 -17.339 1.00 13.03 H new ATOM 0 HG23 THR A 15 -24.965 3.278 -18.383 1.00 13.03 H new ATOM 244 N ALA A 16 -22.349 6.121 -19.231 1.00 44.03 N ATOM 245 CA ALA A 16 -21.592 7.187 -18.597 1.00 21.24 C ATOM 246 C ALA A 16 -21.184 6.748 -17.189 1.00 13.24 C ATOM 247 O ALA A 16 -22.026 6.650 -16.297 1.00 71.11 O ATOM 248 CB ALA A 16 -22.425 8.470 -18.589 1.00 42.13 C ATOM 0 H ALA A 16 -23.255 6.405 -19.604 1.00 44.03 H new ATOM 0 HA ALA A 16 -20.679 7.395 -19.156 1.00 21.24 H new ATOM 0 HB1 ALA A 16 -21.857 9.270 -18.113 1.00 42.13 H new ATOM 0 HB2 ALA A 16 -22.664 8.755 -19.614 1.00 42.13 H new ATOM 0 HB3 ALA A 16 -23.348 8.301 -18.034 1.00 42.13 H new ATOM 254 N LEU A 17 -19.893 6.496 -17.032 1.00 41.34 N ATOM 255 CA LEU A 17 -19.363 6.071 -15.748 1.00 75.40 C ATOM 256 C LEU A 17 -19.753 7.091 -14.677 1.00 10.30 C ATOM 257 O LEU A 17 -19.886 8.280 -14.966 1.00 32.50 O ATOM 258 CB LEU A 17 -17.856 5.825 -15.844 1.00 53.25 C ATOM 259 CG LEU A 17 -17.422 4.658 -16.734 1.00 14.04 C ATOM 260 CD1 LEU A 17 -15.926 4.731 -17.043 1.00 1.41 C ATOM 261 CD2 LEU A 17 -17.813 3.318 -16.108 1.00 73.52 C ATOM 0 H LEU A 17 -19.198 6.578 -17.774 1.00 41.34 H new ATOM 0 HA LEU A 17 -19.799 5.117 -15.453 1.00 75.40 H new ATOM 0 HB2 LEU A 17 -17.382 6.734 -16.214 1.00 53.25 H new ATOM 0 HB3 LEU A 17 -17.471 5.652 -14.839 1.00 53.25 H new ATOM 0 HG LEU A 17 -17.951 4.737 -17.684 1.00 14.04 H new ATOM 0 HD11 LEU A 17 -15.644 3.890 -17.677 1.00 1.41 H new ATOM 0 HD12 LEU A 17 -15.706 5.665 -17.560 1.00 1.41 H new ATOM 0 HD13 LEU A 17 -15.360 4.690 -16.112 1.00 1.41 H new ATOM 0 HD21 LEU A 17 -17.494 2.505 -16.760 1.00 73.52 H new ATOM 0 HD22 LEU A 17 -17.330 3.215 -15.136 1.00 73.52 H new ATOM 0 HD23 LEU A 17 -18.895 3.278 -15.981 1.00 73.52 H new ATOM 273 N THR A 18 -19.925 6.591 -13.462 1.00 62.44 N ATOM 274 CA THR A 18 -20.296 7.444 -12.347 1.00 15.23 C ATOM 275 C THR A 18 -19.588 6.990 -11.069 1.00 10.30 C ATOM 276 O THR A 18 -19.108 5.861 -10.989 1.00 65.20 O ATOM 277 CB THR A 18 -21.822 7.434 -12.232 1.00 11.52 C ATOM 278 OG1 THR A 18 -22.182 6.083 -12.503 1.00 31.45 O ATOM 279 CG2 THR A 18 -22.499 8.231 -13.349 1.00 44.13 C ATOM 0 H THR A 18 -19.814 5.605 -13.226 1.00 62.44 H new ATOM 0 HA THR A 18 -19.974 8.472 -12.512 1.00 15.23 H new ATOM 0 HB THR A 18 -22.115 7.843 -11.265 1.00 11.52 H new ATOM 0 HG1 THR A 18 -23.126 6.042 -12.763 1.00 31.45 H new ATOM 0 HG21 THR A 18 -23.581 8.191 -13.220 1.00 44.13 H new ATOM 0 HG22 THR A 18 -22.167 9.268 -13.309 1.00 44.13 H new ATOM 0 HG23 THR A 18 -22.233 7.802 -14.315 1.00 44.13 H new ATOM 287 N LEU A 19 -19.546 7.894 -10.101 1.00 45.11 N ATOM 288 CA LEU A 19 -18.904 7.601 -8.831 1.00 23.21 C ATOM 289 C LEU A 19 -19.693 6.509 -8.106 1.00 14.35 C ATOM 290 O LEU A 19 -19.214 5.937 -7.128 1.00 12.44 O ATOM 291 CB LEU A 19 -18.728 8.881 -8.011 1.00 72.32 C ATOM 292 CG LEU A 19 -17.731 8.804 -6.853 1.00 33.11 C ATOM 293 CD1 LEU A 19 -16.417 8.163 -7.302 1.00 71.53 C ATOM 294 CD2 LEU A 19 -17.512 10.182 -6.226 1.00 43.34 C ATOM 0 H LEU A 19 -19.946 8.830 -10.171 1.00 45.11 H new ATOM 0 HA LEU A 19 -17.898 7.214 -8.993 1.00 23.21 H new ATOM 0 HB2 LEU A 19 -18.413 9.679 -8.683 1.00 72.32 H new ATOM 0 HB3 LEU A 19 -19.700 9.168 -7.609 1.00 72.32 H new ATOM 0 HG LEU A 19 -18.154 8.162 -6.080 1.00 33.11 H new ATOM 0 HD11 LEU A 19 -15.726 8.121 -6.460 1.00 71.53 H new ATOM 0 HD12 LEU A 19 -16.610 7.153 -7.664 1.00 71.53 H new ATOM 0 HD13 LEU A 19 -15.977 8.758 -8.102 1.00 71.53 H new ATOM 0 HD21 LEU A 19 -16.799 10.099 -5.405 1.00 43.34 H new ATOM 0 HD22 LEU A 19 -17.121 10.866 -6.979 1.00 43.34 H new ATOM 0 HD23 LEU A 19 -18.460 10.564 -5.846 1.00 43.34 H new ATOM 306 N VAL A 20 -20.890 6.253 -8.613 1.00 13.44 N ATOM 307 CA VAL A 20 -21.751 5.241 -8.025 1.00 60.32 C ATOM 308 C VAL A 20 -21.643 3.950 -8.840 1.00 42.43 C ATOM 309 O VAL A 20 -22.306 2.961 -8.534 1.00 23.34 O ATOM 310 CB VAL A 20 -23.184 5.766 -7.925 1.00 55.12 C ATOM 311 CG1 VAL A 20 -23.200 7.243 -7.527 1.00 53.44 C ATOM 312 CG2 VAL A 20 -23.943 5.543 -9.235 1.00 60.30 C ATOM 0 H VAL A 20 -21.284 6.729 -9.425 1.00 13.44 H new ATOM 0 HA VAL A 20 -21.432 5.012 -7.008 1.00 60.32 H new ATOM 0 HB VAL A 20 -23.693 5.203 -7.143 1.00 55.12 H new ATOM 0 HG11 VAL A 20 -24.231 7.591 -7.463 1.00 53.44 H new ATOM 0 HG12 VAL A 20 -22.715 7.364 -6.558 1.00 53.44 H new ATOM 0 HG13 VAL A 20 -22.665 7.827 -8.276 1.00 53.44 H new ATOM 0 HG21 VAL A 20 -24.959 5.925 -9.136 1.00 60.30 H new ATOM 0 HG22 VAL A 20 -23.435 6.068 -10.044 1.00 60.30 H new ATOM 0 HG23 VAL A 20 -23.977 4.477 -9.459 1.00 60.30 H new ATOM 322 N MET A 21 -20.802 4.003 -9.863 1.00 30.11 N ATOM 323 CA MET A 21 -20.598 2.851 -10.724 1.00 75.44 C ATOM 324 C MET A 21 -19.115 2.489 -10.814 1.00 64.44 C ATOM 325 O MET A 21 -18.720 1.672 -11.646 1.00 14.50 O ATOM 326 CB MET A 21 -21.135 3.158 -12.124 1.00 1.21 C ATOM 327 CG MET A 21 -22.665 3.132 -12.143 1.00 24.52 C ATOM 328 SD MET A 21 -23.248 2.710 -13.776 1.00 63.32 S ATOM 329 CE MET A 21 -22.181 3.746 -14.763 1.00 53.43 C ATOM 0 H MET A 21 -20.254 4.826 -10.115 1.00 30.11 H new ATOM 0 HA MET A 21 -21.134 2.003 -10.297 1.00 75.44 H new ATOM 0 HB2 MET A 21 -20.780 4.137 -12.447 1.00 1.21 H new ATOM 0 HB3 MET A 21 -20.747 2.428 -12.834 1.00 1.21 H new ATOM 0 HG2 MET A 21 -23.034 2.407 -11.418 1.00 24.52 H new ATOM 0 HG3 MET A 21 -23.057 4.105 -11.848 1.00 24.52 H new ATOM 0 HE1 MET A 21 -22.787 4.377 -15.413 1.00 53.43 H new ATOM 0 HE2 MET A 21 -21.576 4.374 -14.108 1.00 53.43 H new ATOM 0 HE3 MET A 21 -21.528 3.120 -15.371 1.00 53.43 H new ATOM 339 N MET A 22 -18.332 3.114 -9.947 1.00 32.52 N ATOM 340 CA MET A 22 -16.900 2.867 -9.918 1.00 14.41 C ATOM 341 C MET A 22 -16.380 2.828 -8.480 1.00 22.13 C ATOM 342 O MET A 22 -17.003 3.381 -7.575 1.00 21.12 O ATOM 343 CB MET A 22 -16.177 3.971 -10.693 1.00 21.52 C ATOM 344 CG MET A 22 -16.563 3.945 -12.173 1.00 75.40 C ATOM 345 SD MET A 22 -15.567 5.112 -13.085 1.00 20.43 S ATOM 346 CE MET A 22 -16.347 6.639 -12.589 1.00 62.21 C ATOM 0 H MET A 22 -18.662 3.791 -9.259 1.00 32.52 H new ATOM 0 HA MET A 22 -16.707 1.899 -10.381 1.00 14.41 H new ATOM 0 HB2 MET A 22 -16.425 4.943 -10.266 1.00 21.52 H new ATOM 0 HB3 MET A 22 -15.099 3.845 -10.592 1.00 21.52 H new ATOM 0 HG2 MET A 22 -16.423 2.942 -12.576 1.00 75.40 H new ATOM 0 HG3 MET A 22 -17.619 4.189 -12.286 1.00 75.40 H new ATOM 0 HE1 MET A 22 -15.954 7.460 -13.189 1.00 62.21 H new ATOM 0 HE2 MET A 22 -17.424 6.563 -12.739 1.00 62.21 H new ATOM 0 HE3 MET A 22 -16.140 6.828 -11.536 1.00 62.21 H new ATOM 356 N THR A 23 -15.243 2.169 -8.314 1.00 25.32 N ATOM 357 CA THR A 23 -14.631 2.050 -7.001 1.00 70.21 C ATOM 358 C THR A 23 -13.158 1.656 -7.132 1.00 55.24 C ATOM 359 O THR A 23 -12.593 1.709 -8.224 1.00 31.34 O ATOM 360 CB THR A 23 -15.456 1.053 -6.184 1.00 2.52 C ATOM 361 OG1 THR A 23 -14.820 1.040 -4.909 1.00 24.42 O ATOM 362 CG2 THR A 23 -15.308 -0.383 -6.690 1.00 1.04 C ATOM 0 H THR A 23 -14.729 1.712 -9.067 1.00 25.32 H new ATOM 0 HA THR A 23 -14.634 3.005 -6.476 1.00 70.21 H new ATOM 0 HB THR A 23 -16.507 1.341 -6.213 1.00 2.52 H new ATOM 0 HG1 THR A 23 -14.654 1.961 -4.617 1.00 24.42 H new ATOM 0 HG21 THR A 23 -15.914 -1.049 -6.076 1.00 1.04 H new ATOM 0 HG22 THR A 23 -15.643 -0.440 -7.726 1.00 1.04 H new ATOM 0 HG23 THR A 23 -14.262 -0.684 -6.630 1.00 1.04 H new ATOM 370 N THR A 24 -12.579 1.271 -6.005 1.00 33.31 N ATOM 371 CA THR A 24 -11.183 0.868 -5.980 1.00 53.42 C ATOM 372 C THR A 24 -11.033 -0.493 -5.298 1.00 44.14 C ATOM 373 O THR A 24 -11.831 -0.850 -4.434 1.00 13.02 O ATOM 374 CB THR A 24 -10.383 1.981 -5.300 1.00 23.42 C ATOM 375 OG1 THR A 24 -10.755 1.886 -3.927 1.00 45.35 O ATOM 376 CG2 THR A 24 -10.849 3.377 -5.717 1.00 61.10 C ATOM 0 H THR A 24 -13.051 1.229 -5.102 1.00 33.31 H new ATOM 0 HA THR A 24 -10.791 0.735 -6.988 1.00 53.42 H new ATOM 0 HB THR A 24 -9.326 1.866 -5.539 1.00 23.42 H new ATOM 0 HG1 THR A 24 -10.179 2.470 -3.391 1.00 45.35 H new ATOM 0 HG21 THR A 24 -10.248 4.129 -5.205 1.00 61.10 H new ATOM 0 HG22 THR A 24 -10.734 3.492 -6.795 1.00 61.10 H new ATOM 0 HG23 THR A 24 -11.897 3.506 -5.448 1.00 61.10 H new ATOM 384 N ARG A 25 -10.003 -1.216 -5.713 1.00 61.04 N ATOM 385 CA ARG A 25 -9.737 -2.530 -5.154 1.00 33.34 C ATOM 386 C ARG A 25 -8.528 -3.166 -5.843 1.00 35.41 C ATOM 387 O ARG A 25 -8.400 -3.100 -7.064 1.00 70.24 O ATOM 388 CB ARG A 25 -10.949 -3.451 -5.311 1.00 62.34 C ATOM 389 CG ARG A 25 -11.121 -4.346 -4.083 1.00 22.45 C ATOM 390 CD ARG A 25 -10.487 -5.720 -4.312 1.00 4.25 C ATOM 391 NE ARG A 25 -11.130 -6.726 -3.438 1.00 71.40 N ATOM 392 CZ ARG A 25 -10.528 -7.859 -3.018 1.00 32.42 C ATOM 393 NH1 ARG A 25 -9.261 -8.140 -3.388 1.00 42.14 N ATOM 394 NH2 ARG A 25 -11.198 -8.689 -2.239 1.00 44.21 N ATOM 0 H ARG A 25 -9.343 -0.916 -6.430 1.00 61.04 H new ATOM 0 HA ARG A 25 -9.528 -2.402 -4.092 1.00 33.34 H new ATOM 0 HB2 ARG A 25 -11.848 -2.853 -5.458 1.00 62.34 H new ATOM 0 HB3 ARG A 25 -10.828 -4.068 -6.201 1.00 62.34 H new ATOM 0 HG2 ARG A 25 -10.664 -3.871 -3.215 1.00 22.45 H new ATOM 0 HG3 ARG A 25 -12.181 -4.464 -3.860 1.00 22.45 H new ATOM 0 HD2 ARG A 25 -10.597 -6.011 -5.357 1.00 4.25 H new ATOM 0 HD3 ARG A 25 -9.418 -5.676 -4.104 1.00 4.25 H new ATOM 0 HE ARG A 25 -12.088 -6.553 -3.134 1.00 71.40 H new ATOM 0 HH11 ARG A 25 -8.750 -7.494 -3.990 1.00 42.14 H new ATOM 0 HH12 ARG A 25 -8.814 -8.998 -3.066 1.00 42.14 H new ATOM 0 HH21 ARG A 25 -12.155 -8.469 -1.964 1.00 44.21 H new ATOM 0 HH22 ARG A 25 -10.758 -9.549 -1.913 1.00 44.21 H new ATOM 407 N VAL A 26 -7.673 -3.768 -5.030 1.00 21.41 N ATOM 408 CA VAL A 26 -6.479 -4.416 -5.546 1.00 41.11 C ATOM 409 C VAL A 26 -6.880 -5.676 -6.316 1.00 23.03 C ATOM 410 O VAL A 26 -7.236 -6.688 -5.714 1.00 71.02 O ATOM 411 CB VAL A 26 -5.501 -4.699 -4.404 1.00 14.44 C ATOM 412 CG1 VAL A 26 -4.103 -5.006 -4.942 1.00 43.22 C ATOM 413 CG2 VAL A 26 -5.464 -3.533 -3.413 1.00 61.20 C ATOM 0 H VAL A 26 -7.783 -3.821 -4.017 1.00 21.41 H new ATOM 0 HA VAL A 26 -5.960 -3.759 -6.244 1.00 41.11 H new ATOM 0 HB VAL A 26 -5.855 -5.581 -3.871 1.00 14.44 H new ATOM 0 HG11 VAL A 26 -3.428 -5.203 -4.109 1.00 43.22 H new ATOM 0 HG12 VAL A 26 -4.146 -5.882 -5.589 1.00 43.22 H new ATOM 0 HG13 VAL A 26 -3.737 -4.152 -5.512 1.00 43.22 H new ATOM 0 HG21 VAL A 26 -4.761 -3.759 -2.611 1.00 61.20 H new ATOM 0 HG22 VAL A 26 -5.146 -2.627 -3.929 1.00 61.20 H new ATOM 0 HG23 VAL A 26 -6.458 -3.381 -2.992 1.00 61.20 H new ATOM 423 N VAL A 27 -6.808 -5.573 -7.635 1.00 21.23 N ATOM 424 CA VAL A 27 -7.159 -6.692 -8.493 1.00 22.12 C ATOM 425 C VAL A 27 -6.002 -6.974 -9.454 1.00 74.11 C ATOM 426 O VAL A 27 -5.093 -6.158 -9.593 1.00 3.01 O ATOM 427 CB VAL A 27 -8.478 -6.406 -9.212 1.00 53.15 C ATOM 428 CG1 VAL A 27 -9.576 -6.029 -8.216 1.00 20.04 C ATOM 429 CG2 VAL A 27 -8.300 -5.315 -10.271 1.00 33.24 C ATOM 0 H VAL A 27 -6.512 -4.732 -8.130 1.00 21.23 H new ATOM 0 HA VAL A 27 -7.317 -7.593 -7.901 1.00 22.12 H new ATOM 0 HB VAL A 27 -8.787 -7.320 -9.720 1.00 53.15 H new ATOM 0 HG11 VAL A 27 -10.503 -5.831 -8.754 1.00 20.04 H new ATOM 0 HG12 VAL A 27 -9.731 -6.851 -7.517 1.00 20.04 H new ATOM 0 HG13 VAL A 27 -9.278 -5.136 -7.666 1.00 20.04 H new ATOM 0 HG21 VAL A 27 -9.253 -5.131 -10.767 1.00 33.24 H new ATOM 0 HG22 VAL A 27 -7.956 -4.397 -9.794 1.00 33.24 H new ATOM 0 HG23 VAL A 27 -7.564 -5.639 -11.007 1.00 33.24 H new ATOM 439 N SER A 28 -6.075 -8.132 -10.093 1.00 74.42 N ATOM 440 CA SER A 28 -5.046 -8.532 -11.038 1.00 20.35 C ATOM 441 C SER A 28 -5.686 -9.196 -12.259 1.00 5.21 C ATOM 442 O SER A 28 -6.518 -10.090 -12.119 1.00 72.31 O ATOM 443 CB SER A 28 -4.038 -9.481 -10.385 1.00 14.21 C ATOM 444 OG SER A 28 -2.818 -9.550 -11.118 1.00 11.33 O ATOM 0 H SER A 28 -6.831 -8.806 -9.975 1.00 74.42 H new ATOM 0 HA SER A 28 -4.509 -7.639 -11.358 1.00 20.35 H new ATOM 0 HB2 SER A 28 -3.832 -9.147 -9.368 1.00 14.21 H new ATOM 0 HB3 SER A 28 -4.473 -10.478 -10.311 1.00 14.21 H new ATOM 0 HG SER A 28 -2.201 -10.164 -10.668 1.00 11.33 H new ATOM 450 N PRO A 29 -5.261 -8.720 -13.460 1.00 2.41 N ATOM 451 CA PRO A 29 -4.271 -7.658 -13.537 1.00 34.33 C ATOM 452 C PRO A 29 -4.890 -6.305 -13.180 1.00 21.13 C ATOM 453 O PRO A 29 -6.111 -6.155 -13.189 1.00 3.21 O ATOM 454 CB PRO A 29 -3.745 -7.714 -14.961 1.00 40.45 C ATOM 455 CG PRO A 29 -4.781 -8.489 -15.759 1.00 31.01 C ATOM 456 CD PRO A 29 -5.710 -9.177 -14.772 1.00 24.13 C ATOM 0 HA PRO A 29 -3.459 -7.787 -12.822 1.00 34.33 H new ATOM 0 HB2 PRO A 29 -3.610 -6.711 -15.367 1.00 40.45 H new ATOM 0 HB3 PRO A 29 -2.774 -8.207 -14.999 1.00 40.45 H new ATOM 0 HG2 PRO A 29 -5.343 -7.818 -16.408 1.00 31.01 H new ATOM 0 HG3 PRO A 29 -4.296 -9.223 -16.403 1.00 31.01 H new ATOM 0 HD2 PRO A 29 -6.750 -8.905 -14.951 1.00 24.13 H new ATOM 0 HD3 PRO A 29 -5.645 -10.262 -14.857 1.00 24.13 H new ATOM 464 N THR A 30 -4.019 -5.355 -12.874 1.00 0.31 N ATOM 465 CA THR A 30 -4.464 -4.019 -12.515 1.00 13.02 C ATOM 466 C THR A 30 -4.794 -3.211 -13.771 1.00 74.13 C ATOM 467 O THR A 30 -4.200 -3.427 -14.826 1.00 44.53 O ATOM 468 CB THR A 30 -3.380 -3.377 -11.647 1.00 14.33 C ATOM 469 OG1 THR A 30 -2.159 -3.833 -12.222 1.00 72.01 O ATOM 470 CG2 THR A 30 -3.357 -3.943 -10.225 1.00 42.53 C ATOM 0 H THR A 30 -3.007 -5.484 -12.867 1.00 0.31 H new ATOM 0 HA THR A 30 -5.387 -4.052 -11.936 1.00 13.02 H new ATOM 0 HB THR A 30 -3.539 -2.299 -11.606 1.00 14.33 H new ATOM 0 HG1 THR A 30 -1.403 -3.462 -11.721 1.00 72.01 H new ATOM 0 HG21 THR A 30 -2.570 -3.454 -9.651 1.00 42.53 H new ATOM 0 HG22 THR A 30 -4.320 -3.764 -9.746 1.00 42.53 H new ATOM 0 HG23 THR A 30 -3.165 -5.015 -10.263 1.00 42.53 H new ATOM 478 N GLY A 31 -5.742 -2.298 -13.617 1.00 3.21 N ATOM 479 CA GLY A 31 -6.158 -1.456 -14.726 1.00 71.51 C ATOM 480 C GLY A 31 -6.063 0.025 -14.356 1.00 51.13 C ATOM 481 O GLY A 31 -5.169 0.427 -13.613 1.00 33.01 O ATOM 0 H GLY A 31 -6.234 -2.123 -12.741 1.00 3.21 H new ATOM 0 HA2 GLY A 31 -5.532 -1.658 -15.595 1.00 71.51 H new ATOM 0 HA3 GLY A 31 -7.183 -1.699 -15.007 1.00 71.51 H new ATOM 485 N ILE A 32 -6.997 0.797 -14.892 1.00 51.02 N ATOM 486 CA ILE A 32 -7.030 2.225 -14.628 1.00 0.41 C ATOM 487 C ILE A 32 -6.795 2.469 -13.136 1.00 11.12 C ATOM 488 O ILE A 32 -7.309 1.734 -12.295 1.00 32.35 O ATOM 489 CB ILE A 32 -8.330 2.838 -15.154 1.00 24.11 C ATOM 490 CG1 ILE A 32 -8.413 2.721 -16.677 1.00 55.32 C ATOM 491 CG2 ILE A 32 -8.485 4.284 -14.680 1.00 40.53 C ATOM 492 CD1 ILE A 32 -9.852 2.908 -17.163 1.00 12.00 C ATOM 0 H ILE A 32 -7.737 0.460 -15.508 1.00 51.02 H new ATOM 0 HA ILE A 32 -6.227 2.730 -15.165 1.00 0.41 H new ATOM 0 HB ILE A 32 -9.166 2.273 -14.742 1.00 24.11 H new ATOM 0 HG12 ILE A 32 -7.769 3.470 -17.139 1.00 55.32 H new ATOM 0 HG13 ILE A 32 -8.043 1.745 -16.991 1.00 55.32 H new ATOM 0 HG21 ILE A 32 -9.417 4.696 -15.068 1.00 40.53 H new ATOM 0 HG22 ILE A 32 -8.502 4.310 -13.590 1.00 40.53 H new ATOM 0 HG23 ILE A 32 -7.647 4.878 -15.044 1.00 40.53 H new ATOM 0 HD11 ILE A 32 -9.884 2.820 -18.249 1.00 12.00 H new ATOM 0 HD12 ILE A 32 -10.488 2.143 -16.718 1.00 12.00 H new ATOM 0 HD13 ILE A 32 -10.210 3.894 -16.868 1.00 12.00 H new ATOM 504 N PRO A 33 -5.997 3.532 -12.846 1.00 33.45 N ATOM 505 CA PRO A 33 -5.688 3.881 -11.470 1.00 0.54 C ATOM 506 C PRO A 33 -6.885 4.551 -10.792 1.00 31.14 C ATOM 507 O PRO A 33 -7.656 5.256 -11.441 1.00 12.14 O ATOM 508 CB PRO A 33 -4.472 4.789 -11.558 1.00 64.43 C ATOM 509 CG PRO A 33 -4.427 5.287 -12.994 1.00 20.13 C ATOM 510 CD PRO A 33 -5.371 4.425 -13.816 1.00 21.21 C ATOM 0 HA PRO A 33 -5.474 3.008 -10.853 1.00 0.54 H new ATOM 0 HB2 PRO A 33 -4.554 5.621 -10.858 1.00 64.43 H new ATOM 0 HB3 PRO A 33 -3.561 4.247 -11.304 1.00 64.43 H new ATOM 0 HG2 PRO A 33 -4.725 6.334 -13.044 1.00 20.13 H new ATOM 0 HG3 PRO A 33 -3.413 5.225 -13.388 1.00 20.13 H new ATOM 0 HD2 PRO A 33 -6.114 5.033 -14.332 1.00 21.21 H new ATOM 0 HD3 PRO A 33 -4.832 3.865 -14.580 1.00 21.21 H new ATOM 518 N ALA A 34 -7.003 4.307 -9.495 1.00 22.42 N ATOM 519 CA ALA A 34 -8.093 4.877 -8.722 1.00 1.23 C ATOM 520 C ALA A 34 -8.019 6.404 -8.794 1.00 30.33 C ATOM 521 O ALA A 34 -9.007 7.089 -8.535 1.00 41.41 O ATOM 522 CB ALA A 34 -8.026 4.357 -7.284 1.00 52.33 C ATOM 0 H ALA A 34 -6.361 3.722 -8.960 1.00 22.42 H new ATOM 0 HA ALA A 34 -9.056 4.573 -9.134 1.00 1.23 H new ATOM 0 HB1 ALA A 34 -8.844 4.785 -6.704 1.00 52.33 H new ATOM 0 HB2 ALA A 34 -8.112 3.270 -7.286 1.00 52.33 H new ATOM 0 HB3 ALA A 34 -7.075 4.645 -6.837 1.00 52.33 H new ATOM 528 N GLU A 35 -6.839 6.891 -9.146 1.00 44.12 N ATOM 529 CA GLU A 35 -6.623 8.324 -9.255 1.00 61.14 C ATOM 530 C GLU A 35 -7.345 8.877 -10.485 1.00 52.25 C ATOM 531 O GLU A 35 -7.357 10.086 -10.711 1.00 45.25 O ATOM 532 CB GLU A 35 -5.129 8.651 -9.303 1.00 52.44 C ATOM 533 CG GLU A 35 -4.326 7.675 -8.442 1.00 63.44 C ATOM 534 CD GLU A 35 -3.173 8.389 -7.734 1.00 63.40 C ATOM 535 OE1 GLU A 35 -3.370 8.964 -6.654 1.00 13.33 O ATOM 536 OE2 GLU A 35 -2.038 8.330 -8.345 1.00 1.24 O ATOM 0 H GLU A 35 -6.022 6.319 -9.360 1.00 44.12 H new ATOM 0 HA GLU A 35 -7.038 8.803 -8.368 1.00 61.14 H new ATOM 0 HB2 GLU A 35 -4.777 8.607 -10.334 1.00 52.44 H new ATOM 0 HB3 GLU A 35 -4.965 9.670 -8.953 1.00 52.44 H new ATOM 0 HG2 GLU A 35 -4.981 7.213 -7.703 1.00 63.44 H new ATOM 0 HG3 GLU A 35 -3.933 6.872 -9.066 1.00 63.44 H new ATOM 544 N ASP A 36 -7.931 7.966 -11.248 1.00 63.32 N ATOM 545 CA ASP A 36 -8.654 8.347 -12.449 1.00 44.45 C ATOM 546 C ASP A 36 -10.157 8.221 -12.196 1.00 52.14 C ATOM 547 O ASP A 36 -10.962 8.408 -13.108 1.00 4.40 O ATOM 548 CB ASP A 36 -8.293 7.434 -13.623 1.00 32.13 C ATOM 549 CG ASP A 36 -6.832 7.503 -14.071 1.00 51.54 C ATOM 550 OD1 ASP A 36 -6.475 7.030 -15.160 1.00 53.15 O ATOM 551 OD2 ASP A 36 -6.033 8.081 -13.239 1.00 72.12 O ATOM 0 H ASP A 36 -7.920 6.964 -11.057 1.00 63.32 H new ATOM 0 HA ASP A 36 -8.382 9.374 -12.694 1.00 44.45 H new ATOM 0 HB2 ASP A 36 -8.525 6.405 -13.348 1.00 32.13 H new ATOM 0 HB3 ASP A 36 -8.929 7.688 -14.471 1.00 32.13 H new ATOM 557 N ILE A 37 -10.491 7.904 -10.954 1.00 52.21 N ATOM 558 CA ILE A 37 -11.884 7.751 -10.570 1.00 31.43 C ATOM 559 C ILE A 37 -12.667 8.993 -10.999 1.00 11.01 C ATOM 560 O ILE A 37 -13.716 8.882 -11.632 1.00 0.23 O ATOM 561 CB ILE A 37 -11.996 7.439 -9.076 1.00 73.40 C ATOM 562 CG1 ILE A 37 -12.075 5.930 -8.836 1.00 34.35 C ATOM 563 CG2 ILE A 37 -13.177 8.182 -8.448 1.00 30.11 C ATOM 564 CD1 ILE A 37 -12.707 5.624 -7.476 1.00 73.51 C ATOM 0 H ILE A 37 -9.821 7.749 -10.201 1.00 52.21 H new ATOM 0 HA ILE A 37 -12.330 6.900 -11.085 1.00 31.43 H new ATOM 0 HB ILE A 37 -11.092 7.797 -8.583 1.00 73.40 H new ATOM 0 HG12 ILE A 37 -12.661 5.462 -9.627 1.00 34.35 H new ATOM 0 HG13 ILE A 37 -11.075 5.498 -8.882 1.00 34.35 H new ATOM 0 HG21 ILE A 37 -13.234 7.943 -7.386 1.00 30.11 H new ATOM 0 HG22 ILE A 37 -13.038 9.256 -8.571 1.00 30.11 H new ATOM 0 HG23 ILE A 37 -14.101 7.877 -8.939 1.00 30.11 H new ATOM 0 HD11 ILE A 37 -12.751 4.545 -7.330 1.00 73.51 H new ATOM 0 HD12 ILE A 37 -12.105 6.073 -6.686 1.00 73.51 H new ATOM 0 HD13 ILE A 37 -13.715 6.037 -7.442 1.00 73.51 H new ATOM 576 N PRO A 38 -12.113 10.178 -10.628 1.00 42.31 N ATOM 577 CA PRO A 38 -12.748 11.440 -10.968 1.00 3.21 C ATOM 578 C PRO A 38 -12.551 11.772 -12.449 1.00 21.15 C ATOM 579 O PRO A 38 -13.042 12.792 -12.930 1.00 63.45 O ATOM 580 CB PRO A 38 -12.112 12.463 -10.040 1.00 61.14 C ATOM 581 CG PRO A 38 -10.823 11.830 -9.543 1.00 23.52 C ATOM 582 CD PRO A 38 -10.872 10.348 -9.878 1.00 63.21 C ATOM 0 HA PRO A 38 -13.829 11.417 -10.832 1.00 3.21 H new ATOM 0 HB2 PRO A 38 -11.911 13.396 -10.566 1.00 61.14 H new ATOM 0 HB3 PRO A 38 -12.775 12.702 -9.209 1.00 61.14 H new ATOM 0 HG2 PRO A 38 -9.960 12.300 -10.015 1.00 23.52 H new ATOM 0 HG3 PRO A 38 -10.716 11.975 -8.468 1.00 23.52 H new ATOM 0 HD2 PRO A 38 -10.007 10.047 -10.470 1.00 63.21 H new ATOM 0 HD3 PRO A 38 -10.868 9.738 -8.975 1.00 63.21 H new ATOM 590 N ARG A 39 -11.832 10.891 -13.129 1.00 1.22 N ATOM 591 CA ARG A 39 -11.564 11.078 -14.545 1.00 33.42 C ATOM 592 C ARG A 39 -12.553 10.265 -15.383 1.00 62.23 C ATOM 593 O ARG A 39 -13.046 10.742 -16.404 1.00 42.31 O ATOM 594 CB ARG A 39 -10.137 10.652 -14.896 1.00 74.13 C ATOM 595 CG ARG A 39 -9.118 11.361 -14.003 1.00 2.04 C ATOM 596 CD ARG A 39 -7.688 10.977 -14.390 1.00 33.22 C ATOM 597 NE ARG A 39 -7.345 11.563 -15.705 1.00 32.03 N ATOM 598 CZ ARG A 39 -6.447 11.030 -16.560 1.00 74.52 C ATOM 599 NH1 ARG A 39 -5.794 9.891 -16.245 1.00 45.23 N ATOM 600 NH2 ARG A 39 -6.218 11.638 -17.709 1.00 73.21 N ATOM 0 H ARG A 39 -11.427 10.046 -12.726 1.00 1.22 H new ATOM 0 HA ARG A 39 -11.679 12.139 -14.768 1.00 33.42 H new ATOM 0 HB2 ARG A 39 -10.037 9.573 -14.781 1.00 74.13 H new ATOM 0 HB3 ARG A 39 -9.932 10.882 -15.942 1.00 74.13 H new ATOM 0 HG2 ARG A 39 -9.244 12.440 -14.088 1.00 2.04 H new ATOM 0 HG3 ARG A 39 -9.299 11.100 -12.960 1.00 2.04 H new ATOM 0 HD2 ARG A 39 -6.990 11.331 -13.632 1.00 33.22 H new ATOM 0 HD3 ARG A 39 -7.592 9.892 -14.430 1.00 33.22 H new ATOM 0 HE ARG A 39 -7.817 12.424 -15.983 1.00 32.03 H new ATOM 0 HH11 ARG A 39 -5.978 9.427 -15.355 1.00 45.23 H new ATOM 0 HH12 ARG A 39 -5.117 9.494 -16.897 1.00 45.23 H new ATOM 0 HH21 ARG A 39 -6.717 12.497 -17.939 1.00 73.21 H new ATOM 0 HH22 ARG A 39 -5.542 11.248 -18.366 1.00 73.21 H new ATOM 613 N LEU A 40 -12.813 9.051 -14.921 1.00 70.44 N ATOM 614 CA LEU A 40 -13.734 8.167 -15.616 1.00 42.01 C ATOM 615 C LEU A 40 -15.154 8.726 -15.503 1.00 45.23 C ATOM 616 O LEU A 40 -15.996 8.467 -16.361 1.00 14.41 O ATOM 617 CB LEU A 40 -13.594 6.734 -15.099 1.00 34.12 C ATOM 618 CG LEU A 40 -12.352 5.971 -15.563 1.00 40.11 C ATOM 619 CD1 LEU A 40 -12.294 5.896 -17.090 1.00 22.40 C ATOM 620 CD2 LEU A 40 -11.080 6.582 -14.970 1.00 74.35 C ATOM 0 H LEU A 40 -12.402 8.658 -14.074 1.00 70.44 H new ATOM 0 HA LEU A 40 -13.492 8.123 -16.678 1.00 42.01 H new ATOM 0 HB2 LEU A 40 -13.593 6.761 -14.009 1.00 34.12 H new ATOM 0 HB3 LEU A 40 -14.476 6.171 -15.404 1.00 34.12 H new ATOM 0 HG LEU A 40 -12.421 4.948 -15.193 1.00 40.11 H new ATOM 0 HD11 LEU A 40 -11.402 5.349 -17.394 1.00 22.40 H new ATOM 0 HD12 LEU A 40 -13.180 5.382 -17.463 1.00 22.40 H new ATOM 0 HD13 LEU A 40 -12.259 6.904 -17.503 1.00 22.40 H new ATOM 0 HD21 LEU A 40 -10.212 6.021 -15.315 1.00 74.35 H new ATOM 0 HD22 LEU A 40 -10.992 7.620 -15.290 1.00 74.35 H new ATOM 0 HD23 LEU A 40 -11.129 6.540 -13.882 1.00 74.35 H new ATOM 632 N ILE A 41 -15.374 9.483 -14.438 1.00 74.51 N ATOM 633 CA ILE A 41 -16.677 10.080 -14.202 1.00 15.50 C ATOM 634 C ILE A 41 -17.076 10.921 -15.417 1.00 22.02 C ATOM 635 O ILE A 41 -16.293 11.742 -15.892 1.00 25.20 O ATOM 636 CB ILE A 41 -16.678 10.862 -12.887 1.00 20.14 C ATOM 637 CG1 ILE A 41 -16.342 9.948 -11.706 1.00 52.30 C ATOM 638 CG2 ILE A 41 -18.006 11.595 -12.685 1.00 22.33 C ATOM 639 CD1 ILE A 41 -17.607 9.557 -10.939 1.00 24.13 C ATOM 0 H ILE A 41 -14.672 9.696 -13.729 1.00 74.51 H new ATOM 0 HA ILE A 41 -17.435 9.305 -14.087 1.00 15.50 H new ATOM 0 HB ILE A 41 -15.897 11.621 -12.940 1.00 20.14 H new ATOM 0 HG12 ILE A 41 -15.839 9.051 -12.067 1.00 52.30 H new ATOM 0 HG13 ILE A 41 -15.648 10.454 -11.036 1.00 52.30 H new ATOM 0 HG21 ILE A 41 -17.980 12.143 -11.743 1.00 22.33 H new ATOM 0 HG22 ILE A 41 -18.165 12.294 -13.507 1.00 22.33 H new ATOM 0 HG23 ILE A 41 -18.821 10.872 -12.661 1.00 22.33 H new ATOM 0 HD11 ILE A 41 -17.341 8.908 -10.105 1.00 24.13 H new ATOM 0 HD12 ILE A 41 -18.094 10.455 -10.559 1.00 24.13 H new ATOM 0 HD13 ILE A 41 -18.289 9.030 -11.606 1.00 24.13 H new ATOM 651 N SER A 42 -18.293 10.687 -15.885 1.00 11.24 N ATOM 652 CA SER A 42 -18.805 11.413 -17.035 1.00 21.41 C ATOM 653 C SER A 42 -18.399 10.699 -18.326 1.00 53.22 C ATOM 654 O SER A 42 -18.956 10.968 -19.390 1.00 0.35 O ATOM 655 CB SER A 42 -18.299 12.857 -17.045 1.00 33.50 C ATOM 656 OG SER A 42 -19.218 13.740 -17.683 1.00 33.45 O ATOM 0 H SER A 42 -18.940 10.005 -15.489 1.00 11.24 H new ATOM 0 HA SER A 42 -19.893 11.439 -16.967 1.00 21.41 H new ATOM 0 HB2 SER A 42 -18.129 13.189 -16.021 1.00 33.50 H new ATOM 0 HB3 SER A 42 -17.338 12.901 -17.558 1.00 33.50 H new ATOM 0 HG SER A 42 -18.860 14.652 -17.668 1.00 33.45 H new ATOM 662 N MET A 43 -17.433 9.803 -18.191 1.00 5.40 N ATOM 663 CA MET A 43 -16.946 9.049 -19.334 1.00 1.23 C ATOM 664 C MET A 43 -17.578 7.656 -19.381 1.00 5.43 C ATOM 665 O MET A 43 -17.574 6.935 -18.384 1.00 44.14 O ATOM 666 CB MET A 43 -15.424 8.917 -19.248 1.00 10.13 C ATOM 667 CG MET A 43 -14.804 10.145 -18.578 1.00 12.14 C ATOM 668 SD MET A 43 -13.181 10.454 -19.252 1.00 25.03 S ATOM 669 CE MET A 43 -12.545 8.787 -19.307 1.00 33.35 C ATOM 0 H MET A 43 -16.974 9.582 -17.307 1.00 5.40 H new ATOM 0 HA MET A 43 -17.222 9.584 -20.243 1.00 1.23 H new ATOM 0 HB2 MET A 43 -15.164 8.021 -18.684 1.00 10.13 H new ATOM 0 HB3 MET A 43 -15.009 8.796 -20.249 1.00 10.13 H new ATOM 0 HG2 MET A 43 -15.442 11.015 -18.732 1.00 12.14 H new ATOM 0 HG3 MET A 43 -14.736 9.987 -17.502 1.00 12.14 H new ATOM 0 HE1 MET A 43 -11.585 8.747 -18.793 1.00 33.35 H new ATOM 0 HE2 MET A 43 -13.248 8.113 -18.817 1.00 33.35 H new ATOM 0 HE3 MET A 43 -12.414 8.482 -20.345 1.00 33.35 H new ATOM 679 N GLN A 44 -18.105 7.320 -20.549 1.00 12.14 N ATOM 680 CA GLN A 44 -18.739 6.027 -20.739 1.00 33.44 C ATOM 681 C GLN A 44 -17.683 4.950 -20.995 1.00 2.01 C ATOM 682 O GLN A 44 -16.491 5.247 -21.057 1.00 42.43 O ATOM 683 CB GLN A 44 -19.758 6.078 -21.879 1.00 61.40 C ATOM 684 CG GLN A 44 -20.707 7.266 -21.714 1.00 0.22 C ATOM 685 CD GLN A 44 -21.008 7.919 -23.064 1.00 53.13 C ATOM 686 OE1 GLN A 44 -20.790 9.101 -23.274 1.00 13.11 O ATOM 687 NE2 GLN A 44 -21.520 7.086 -23.966 1.00 31.02 N ATOM 0 H GLN A 44 -18.106 7.921 -21.373 1.00 12.14 H new ATOM 0 HA GLN A 44 -19.277 5.771 -19.826 1.00 33.44 H new ATOM 0 HB2 GLN A 44 -19.237 6.154 -22.834 1.00 61.40 H new ATOM 0 HB3 GLN A 44 -20.331 5.151 -21.901 1.00 61.40 H new ATOM 0 HG2 GLN A 44 -21.636 6.932 -21.252 1.00 0.22 H new ATOM 0 HG3 GLN A 44 -20.263 8.000 -21.042 1.00 0.22 H new ATOM 0 HE21 GLN A 44 -21.678 6.107 -23.725 1.00 31.02 H new ATOM 0 HE22 GLN A 44 -21.755 7.426 -24.899 1.00 31.02 H new ATOM 696 N VAL A 45 -18.158 3.721 -21.137 1.00 11.54 N ATOM 697 CA VAL A 45 -17.269 2.599 -21.385 1.00 12.13 C ATOM 698 C VAL A 45 -17.438 2.131 -22.832 1.00 24.15 C ATOM 699 O VAL A 45 -18.546 2.138 -23.365 1.00 21.31 O ATOM 700 CB VAL A 45 -17.529 1.490 -20.363 1.00 72.13 C ATOM 701 CG1 VAL A 45 -16.876 1.818 -19.019 1.00 55.42 C ATOM 702 CG2 VAL A 45 -19.029 1.238 -20.198 1.00 31.24 C ATOM 0 H VAL A 45 -19.147 3.478 -21.085 1.00 11.54 H new ATOM 0 HA VAL A 45 -16.229 2.900 -21.260 1.00 12.13 H new ATOM 0 HB VAL A 45 -17.075 0.574 -20.740 1.00 72.13 H new ATOM 0 HG11 VAL A 45 -17.076 1.014 -18.311 1.00 55.42 H new ATOM 0 HG12 VAL A 45 -15.799 1.923 -19.154 1.00 55.42 H new ATOM 0 HG13 VAL A 45 -17.286 2.751 -18.633 1.00 55.42 H new ATOM 0 HG21 VAL A 45 -19.186 0.446 -19.466 1.00 31.24 H new ATOM 0 HG22 VAL A 45 -19.516 2.151 -19.855 1.00 31.24 H new ATOM 0 HG23 VAL A 45 -19.455 0.938 -21.155 1.00 31.24 H new ATOM 712 N ASN A 46 -16.321 1.735 -23.426 1.00 13.54 N ATOM 713 CA ASN A 46 -16.331 1.265 -24.800 1.00 73.13 C ATOM 714 C ASN A 46 -16.501 -0.256 -24.813 1.00 51.41 C ATOM 715 O ASN A 46 -15.972 -0.935 -25.691 1.00 71.41 O ATOM 716 CB ASN A 46 -15.016 1.600 -25.507 1.00 31.34 C ATOM 717 CG ASN A 46 -13.828 0.958 -24.787 1.00 13.13 C ATOM 718 OD1 ASN A 46 -13.671 -0.251 -24.750 1.00 32.33 O ATOM 719 ND2 ASN A 46 -13.003 1.833 -24.218 1.00 74.14 N ATOM 0 H ASN A 46 -15.404 1.730 -22.980 1.00 13.54 H new ATOM 0 HA ASN A 46 -17.154 1.757 -25.318 1.00 73.13 H new ATOM 0 HB2 ASN A 46 -15.054 1.249 -26.538 1.00 31.34 H new ATOM 0 HB3 ASN A 46 -14.883 2.681 -25.543 1.00 31.34 H new ATOM 0 HD21 ASN A 46 -12.180 1.504 -23.713 1.00 74.14 H new ATOM 0 HD22 ASN A 46 -13.193 2.833 -24.287 1.00 74.14 H new ATOM 726 N GLN A 47 -17.241 -0.745 -23.829 1.00 10.31 N ATOM 727 CA GLN A 47 -17.487 -2.172 -23.716 1.00 31.21 C ATOM 728 C GLN A 47 -18.277 -2.475 -22.441 1.00 24.51 C ATOM 729 O GLN A 47 -18.138 -1.775 -21.439 1.00 63.32 O ATOM 730 CB GLN A 47 -16.175 -2.959 -23.749 1.00 34.03 C ATOM 731 CG GLN A 47 -16.409 -4.429 -23.396 1.00 20.42 C ATOM 732 CD GLN A 47 -15.081 -5.159 -23.181 1.00 75.34 C ATOM 733 OE1 GLN A 47 -14.777 -6.150 -23.825 1.00 40.13 O ATOM 734 NE2 GLN A 47 -14.311 -4.616 -22.243 1.00 61.31 N ATOM 0 H GLN A 47 -17.678 -0.178 -23.103 1.00 10.31 H new ATOM 0 HA GLN A 47 -18.083 -2.487 -24.573 1.00 31.21 H new ATOM 0 HB2 GLN A 47 -15.728 -2.886 -24.740 1.00 34.03 H new ATOM 0 HB3 GLN A 47 -15.466 -2.521 -23.046 1.00 34.03 H new ATOM 0 HG2 GLN A 47 -17.016 -4.498 -22.493 1.00 20.42 H new ATOM 0 HG3 GLN A 47 -16.970 -4.914 -24.195 1.00 20.42 H new ATOM 0 HE21 GLN A 47 -14.627 -3.786 -21.742 1.00 61.31 H new ATOM 0 HE22 GLN A 47 -13.405 -5.030 -22.025 1.00 61.31 H new ATOM 743 N VAL A 48 -19.088 -3.520 -22.520 1.00 10.12 N ATOM 744 CA VAL A 48 -19.900 -3.924 -21.385 1.00 22.45 C ATOM 745 C VAL A 48 -18.985 -4.367 -20.241 1.00 0.54 C ATOM 746 O VAL A 48 -18.383 -5.438 -20.301 1.00 14.32 O ATOM 747 CB VAL A 48 -20.892 -5.009 -21.810 1.00 45.13 C ATOM 748 CG1 VAL A 48 -21.305 -5.872 -20.617 1.00 33.40 C ATOM 749 CG2 VAL A 48 -22.115 -4.395 -22.494 1.00 31.23 C ATOM 0 H VAL A 48 -19.200 -4.099 -23.352 1.00 10.12 H new ATOM 0 HA VAL A 48 -20.493 -3.084 -21.022 1.00 22.45 H new ATOM 0 HB VAL A 48 -20.394 -5.655 -22.533 1.00 45.13 H new ATOM 0 HG11 VAL A 48 -22.010 -6.635 -20.947 1.00 33.40 H new ATOM 0 HG12 VAL A 48 -20.423 -6.352 -20.193 1.00 33.40 H new ATOM 0 HG13 VAL A 48 -21.776 -5.245 -19.860 1.00 33.40 H new ATOM 0 HG21 VAL A 48 -22.804 -5.187 -22.786 1.00 31.23 H new ATOM 0 HG22 VAL A 48 -22.615 -3.715 -21.804 1.00 31.23 H new ATOM 0 HG23 VAL A 48 -21.798 -3.845 -23.380 1.00 31.23 H new ATOM 759 N VAL A 49 -18.909 -3.519 -19.225 1.00 62.11 N ATOM 760 CA VAL A 49 -18.077 -3.809 -18.069 1.00 75.01 C ATOM 761 C VAL A 49 -18.972 -4.133 -16.871 1.00 54.21 C ATOM 762 O VAL A 49 -19.525 -3.231 -16.243 1.00 32.30 O ATOM 763 CB VAL A 49 -17.124 -2.642 -17.805 1.00 24.33 C ATOM 764 CG1 VAL A 49 -16.050 -3.032 -16.786 1.00 54.41 C ATOM 765 CG2 VAL A 49 -16.490 -2.146 -19.106 1.00 72.32 C ATOM 0 H VAL A 49 -19.410 -2.632 -19.178 1.00 62.11 H new ATOM 0 HA VAL A 49 -17.454 -4.684 -18.256 1.00 75.01 H new ATOM 0 HB VAL A 49 -17.706 -1.823 -17.383 1.00 24.33 H new ATOM 0 HG11 VAL A 49 -15.385 -2.185 -16.616 1.00 54.41 H new ATOM 0 HG12 VAL A 49 -16.525 -3.315 -15.847 1.00 54.41 H new ATOM 0 HG13 VAL A 49 -15.474 -3.874 -17.169 1.00 54.41 H new ATOM 0 HG21 VAL A 49 -15.817 -1.316 -18.890 1.00 72.32 H new ATOM 0 HG22 VAL A 49 -15.929 -2.957 -19.569 1.00 72.32 H new ATOM 0 HG23 VAL A 49 -17.272 -1.811 -19.787 1.00 72.32 H new ATOM 775 N PRO A 50 -19.090 -5.457 -16.583 1.00 13.30 N ATOM 776 CA PRO A 50 -19.909 -5.911 -15.471 1.00 45.25 C ATOM 777 C PRO A 50 -19.213 -5.646 -14.135 1.00 20.44 C ATOM 778 O PRO A 50 -18.005 -5.417 -14.094 1.00 31.42 O ATOM 779 CB PRO A 50 -20.146 -7.389 -15.736 1.00 2.34 C ATOM 780 CG PRO A 50 -19.075 -7.812 -16.728 1.00 24.04 C ATOM 781 CD PRO A 50 -18.450 -6.552 -17.305 1.00 72.41 C ATOM 0 HA PRO A 50 -20.856 -5.376 -15.399 1.00 45.25 H new ATOM 0 HB2 PRO A 50 -20.075 -7.967 -14.815 1.00 2.34 H new ATOM 0 HB3 PRO A 50 -21.143 -7.558 -16.142 1.00 2.34 H new ATOM 0 HG2 PRO A 50 -18.318 -8.422 -16.235 1.00 24.04 H new ATOM 0 HG3 PRO A 50 -19.509 -8.421 -17.521 1.00 24.04 H new ATOM 0 HD2 PRO A 50 -17.370 -6.544 -17.160 1.00 72.41 H new ATOM 0 HD3 PRO A 50 -18.628 -6.477 -18.378 1.00 72.41 H new ATOM 789 N MET A 51 -20.005 -5.687 -13.074 1.00 13.05 N ATOM 790 CA MET A 51 -19.481 -5.455 -11.738 1.00 41.25 C ATOM 791 C MET A 51 -18.401 -6.481 -11.387 1.00 54.34 C ATOM 792 O MET A 51 -18.500 -7.646 -11.769 1.00 3.20 O ATOM 793 CB MET A 51 -20.619 -5.543 -10.720 1.00 54.42 C ATOM 794 CG MET A 51 -20.121 -5.215 -9.311 1.00 61.40 C ATOM 795 SD MET A 51 -21.234 -5.901 -8.095 1.00 42.04 S ATOM 796 CE MET A 51 -22.741 -5.056 -8.544 1.00 31.51 C ATOM 0 H MET A 51 -21.006 -5.878 -13.112 1.00 13.05 H new ATOM 0 HA MET A 51 -19.034 -4.461 -11.711 1.00 41.25 H new ATOM 0 HB2 MET A 51 -21.415 -4.852 -10.998 1.00 54.42 H new ATOM 0 HB3 MET A 51 -21.048 -6.545 -10.734 1.00 54.42 H new ATOM 0 HG2 MET A 51 -19.119 -5.619 -9.167 1.00 61.40 H new ATOM 0 HG3 MET A 51 -20.051 -4.135 -9.183 1.00 61.40 H new ATOM 0 HE1 MET A 51 -23.577 -5.483 -7.990 1.00 31.51 H new ATOM 0 HE2 MET A 51 -22.650 -3.997 -8.303 1.00 31.51 H new ATOM 0 HE3 MET A 51 -22.918 -5.171 -9.613 1.00 31.51 H new ATOM 806 N GLY A 52 -17.396 -6.010 -10.664 1.00 61.22 N ATOM 807 CA GLY A 52 -16.299 -6.872 -10.257 1.00 71.13 C ATOM 808 C GLY A 52 -15.231 -6.953 -11.350 1.00 20.11 C ATOM 809 O GLY A 52 -14.145 -7.484 -11.123 1.00 1.00 O ATOM 0 H GLY A 52 -17.318 -5.043 -10.349 1.00 61.22 H new ATOM 0 HA2 GLY A 52 -15.855 -6.492 -9.337 1.00 71.13 H new ATOM 0 HA3 GLY A 52 -16.678 -7.871 -10.039 1.00 71.13 H new ATOM 813 N THR A 53 -15.577 -6.419 -12.512 1.00 0.32 N ATOM 814 CA THR A 53 -14.661 -6.424 -13.640 1.00 54.21 C ATOM 815 C THR A 53 -13.755 -5.192 -13.597 1.00 22.22 C ATOM 816 O THR A 53 -14.228 -4.064 -13.725 1.00 2.04 O ATOM 817 CB THR A 53 -15.491 -6.523 -14.922 1.00 11.13 C ATOM 818 OG1 THR A 53 -16.299 -7.680 -14.724 1.00 1.12 O ATOM 819 CG2 THR A 53 -14.640 -6.868 -16.145 1.00 43.33 C ATOM 0 H THR A 53 -16.479 -5.980 -12.697 1.00 0.32 H new ATOM 0 HA THR A 53 -13.991 -7.283 -13.602 1.00 54.21 H new ATOM 0 HB THR A 53 -16.007 -5.579 -15.094 1.00 11.13 H new ATOM 0 HG1 THR A 53 -17.199 -7.407 -14.448 1.00 1.12 H new ATOM 0 HG21 THR A 53 -15.278 -6.926 -17.027 1.00 43.33 H new ATOM 0 HG22 THR A 53 -13.885 -6.095 -16.293 1.00 43.33 H new ATOM 0 HG23 THR A 53 -14.150 -7.829 -15.988 1.00 43.33 H new ATOM 827 N THR A 54 -12.468 -5.450 -13.416 1.00 61.52 N ATOM 828 CA THR A 54 -11.491 -4.377 -13.354 1.00 43.14 C ATOM 829 C THR A 54 -11.669 -3.425 -14.539 1.00 0.35 C ATOM 830 O THR A 54 -12.005 -3.855 -15.641 1.00 24.22 O ATOM 831 CB THR A 54 -10.099 -5.008 -13.286 1.00 64.14 C ATOM 832 OG1 THR A 54 -10.175 -5.899 -12.177 1.00 11.33 O ATOM 833 CG2 THR A 54 -9.019 -4.002 -12.883 1.00 64.11 C ATOM 0 H THR A 54 -12.079 -6.387 -13.310 1.00 61.52 H new ATOM 0 HA THR A 54 -11.631 -3.766 -12.462 1.00 43.14 H new ATOM 0 HB THR A 54 -9.849 -5.440 -14.255 1.00 64.14 H new ATOM 0 HG1 THR A 54 -9.493 -6.597 -12.271 1.00 11.33 H new ATOM 0 HG21 THR A 54 -8.051 -4.501 -12.850 1.00 64.11 H new ATOM 0 HG22 THR A 54 -8.985 -3.193 -13.612 1.00 64.11 H new ATOM 0 HG23 THR A 54 -9.251 -3.594 -11.899 1.00 64.11 H new ATOM 841 N LEU A 55 -11.436 -2.148 -14.270 1.00 74.25 N ATOM 842 CA LEU A 55 -11.567 -1.131 -15.300 1.00 71.42 C ATOM 843 C LEU A 55 -10.213 -0.925 -15.982 1.00 70.20 C ATOM 844 O LEU A 55 -9.183 -0.847 -15.314 1.00 52.30 O ATOM 845 CB LEU A 55 -12.162 0.151 -14.715 1.00 33.34 C ATOM 846 CG LEU A 55 -12.976 1.014 -15.680 1.00 51.44 C ATOM 847 CD1 LEU A 55 -14.241 0.285 -16.135 1.00 73.45 C ATOM 848 CD2 LEU A 55 -13.292 2.378 -15.063 1.00 43.43 C ATOM 0 H LEU A 55 -11.158 -1.795 -13.354 1.00 74.25 H new ATOM 0 HA LEU A 55 -12.266 -1.457 -16.070 1.00 71.42 H new ATOM 0 HB2 LEU A 55 -12.800 -0.119 -13.874 1.00 33.34 H new ATOM 0 HB3 LEU A 55 -11.348 0.756 -14.316 1.00 33.34 H new ATOM 0 HG LEU A 55 -12.371 1.194 -16.569 1.00 51.44 H new ATOM 0 HD11 LEU A 55 -14.801 0.921 -16.820 1.00 73.45 H new ATOM 0 HD12 LEU A 55 -13.966 -0.640 -16.642 1.00 73.45 H new ATOM 0 HD13 LEU A 55 -14.859 0.053 -15.268 1.00 73.45 H new ATOM 0 HD21 LEU A 55 -13.871 2.972 -15.770 1.00 43.43 H new ATOM 0 HD22 LEU A 55 -13.868 2.239 -14.148 1.00 43.43 H new ATOM 0 HD23 LEU A 55 -12.362 2.897 -14.831 1.00 43.43 H new ATOM 860 N MET A 56 -10.258 -0.843 -17.304 1.00 33.44 N ATOM 861 CA MET A 56 -9.048 -0.648 -18.083 1.00 42.13 C ATOM 862 C MET A 56 -9.101 0.671 -18.858 1.00 35.52 C ATOM 863 O MET A 56 -10.180 1.211 -19.096 1.00 53.14 O ATOM 864 CB MET A 56 -8.879 -1.810 -19.064 1.00 41.11 C ATOM 865 CG MET A 56 -8.704 -3.135 -18.319 1.00 40.04 C ATOM 866 SD MET A 56 -7.005 -3.328 -17.809 1.00 24.53 S ATOM 867 CE MET A 56 -7.247 -3.893 -16.133 1.00 1.13 C ATOM 0 H MET A 56 -11.114 -0.908 -17.855 1.00 33.44 H new ATOM 0 HA MET A 56 -8.200 -0.612 -17.399 1.00 42.13 H new ATOM 0 HB2 MET A 56 -9.749 -1.868 -19.718 1.00 41.11 H new ATOM 0 HB3 MET A 56 -8.013 -1.630 -19.701 1.00 41.11 H new ATOM 0 HG2 MET A 56 -9.359 -3.161 -17.448 1.00 40.04 H new ATOM 0 HG3 MET A 56 -8.996 -3.965 -18.963 1.00 40.04 H new ATOM 0 HE1 MET A 56 -6.279 -4.013 -15.646 1.00 1.13 H new ATOM 0 HE2 MET A 56 -7.841 -3.162 -15.585 1.00 1.13 H new ATOM 0 HE3 MET A 56 -7.769 -4.850 -16.143 1.00 1.13 H new ATOM 877 N PRO A 57 -7.892 1.163 -19.239 1.00 33.20 N ATOM 878 CA PRO A 57 -7.791 2.408 -19.982 1.00 34.44 C ATOM 879 C PRO A 57 -8.210 2.212 -21.440 1.00 71.51 C ATOM 880 O PRO A 57 -8.342 3.180 -22.187 1.00 72.43 O ATOM 881 CB PRO A 57 -6.341 2.838 -19.833 1.00 14.25 C ATOM 882 CG PRO A 57 -5.578 1.594 -19.409 1.00 74.50 C ATOM 883 CD PRO A 57 -6.594 0.550 -18.974 1.00 71.20 C ATOM 0 HA PRO A 57 -8.462 3.179 -19.604 1.00 34.44 H new ATOM 0 HB2 PRO A 57 -5.953 3.233 -20.772 1.00 14.25 H new ATOM 0 HB3 PRO A 57 -6.243 3.629 -19.089 1.00 14.25 H new ATOM 0 HG2 PRO A 57 -4.973 1.218 -20.234 1.00 74.50 H new ATOM 0 HG3 PRO A 57 -4.895 1.825 -18.592 1.00 74.50 H new ATOM 0 HD2 PRO A 57 -6.473 -0.378 -19.533 1.00 71.20 H new ATOM 0 HD3 PRO A 57 -6.481 0.303 -17.918 1.00 71.20 H new ATOM 891 N ASP A 58 -8.407 0.952 -21.801 1.00 54.25 N ATOM 892 CA ASP A 58 -8.809 0.617 -23.157 1.00 65.22 C ATOM 893 C ASP A 58 -10.298 0.267 -23.172 1.00 22.42 C ATOM 894 O ASP A 58 -10.848 -0.080 -24.216 1.00 44.53 O ATOM 895 CB ASP A 58 -8.033 -0.595 -23.677 1.00 62.12 C ATOM 896 CG ASP A 58 -7.378 -1.457 -22.595 1.00 54.34 C ATOM 897 OD1 ASP A 58 -6.384 -1.055 -21.973 1.00 50.53 O ATOM 898 OD2 ASP A 58 -7.939 -2.602 -22.398 1.00 5.24 O ATOM 0 H ASP A 58 -8.296 0.152 -21.179 1.00 54.25 H new ATOM 0 HA ASP A 58 -8.602 1.478 -23.793 1.00 65.22 H new ATOM 0 HB2 ASP A 58 -8.712 -1.220 -24.257 1.00 62.12 H new ATOM 0 HB3 ASP A 58 -7.259 -0.246 -24.360 1.00 62.12 H new ATOM 904 N MET A 59 -10.909 0.369 -22.000 1.00 65.45 N ATOM 905 CA MET A 59 -12.324 0.067 -21.865 1.00 45.04 C ATOM 906 C MET A 59 -13.129 1.335 -21.574 1.00 71.14 C ATOM 907 O MET A 59 -14.314 1.262 -21.254 1.00 34.42 O ATOM 908 CB MET A 59 -12.525 -0.938 -20.730 1.00 32.13 C ATOM 909 CG MET A 59 -12.095 -2.343 -21.158 1.00 0.32 C ATOM 910 SD MET A 59 -12.766 -3.556 -20.034 1.00 10.15 S ATOM 911 CE MET A 59 -12.339 -2.802 -18.473 1.00 23.11 C ATOM 0 H MET A 59 -10.450 0.656 -21.136 1.00 65.45 H new ATOM 0 HA MET A 59 -12.678 -0.358 -22.804 1.00 45.04 H new ATOM 0 HB2 MET A 59 -11.949 -0.627 -19.858 1.00 32.13 H new ATOM 0 HB3 MET A 59 -13.573 -0.950 -20.432 1.00 32.13 H new ATOM 0 HG2 MET A 59 -12.440 -2.545 -22.172 1.00 0.32 H new ATOM 0 HG3 MET A 59 -11.007 -2.411 -21.172 1.00 0.32 H new ATOM 0 HE1 MET A 59 -12.734 -3.407 -17.657 1.00 23.11 H new ATOM 0 HE2 MET A 59 -11.255 -2.737 -18.385 1.00 23.11 H new ATOM 0 HE3 MET A 59 -12.767 -1.801 -18.423 1.00 23.11 H new ATOM 921 N VAL A 60 -12.453 2.468 -21.697 1.00 34.13 N ATOM 922 CA VAL A 60 -13.091 3.750 -21.451 1.00 15.02 C ATOM 923 C VAL A 60 -12.930 4.640 -22.685 1.00 2.24 C ATOM 924 O VAL A 60 -11.842 4.730 -23.251 1.00 42.14 O ATOM 925 CB VAL A 60 -12.523 4.382 -20.179 1.00 2.22 C ATOM 926 CG1 VAL A 60 -13.132 5.764 -19.934 1.00 32.03 C ATOM 927 CG2 VAL A 60 -12.734 3.468 -18.971 1.00 24.44 C ATOM 0 H VAL A 60 -11.470 2.525 -21.964 1.00 34.13 H new ATOM 0 HA VAL A 60 -14.160 3.619 -21.283 1.00 15.02 H new ATOM 0 HB VAL A 60 -11.450 4.509 -20.319 1.00 2.22 H new ATOM 0 HG11 VAL A 60 -12.711 6.191 -19.024 1.00 32.03 H new ATOM 0 HG12 VAL A 60 -12.907 6.416 -20.778 1.00 32.03 H new ATOM 0 HG13 VAL A 60 -14.213 5.671 -19.825 1.00 32.03 H new ATOM 0 HG21 VAL A 60 -12.321 3.941 -18.080 1.00 24.44 H new ATOM 0 HG22 VAL A 60 -13.801 3.294 -18.828 1.00 24.44 H new ATOM 0 HG23 VAL A 60 -12.231 2.516 -19.143 1.00 24.44 H new ATOM 937 N LYS A 61 -14.029 5.276 -23.064 1.00 65.35 N ATOM 938 CA LYS A 61 -14.022 6.156 -24.221 1.00 33.33 C ATOM 939 C LYS A 61 -13.623 7.566 -23.781 1.00 61.40 C ATOM 940 O LYS A 61 -13.889 7.966 -22.649 1.00 34.52 O ATOM 941 CB LYS A 61 -15.368 6.096 -24.947 1.00 22.03 C ATOM 942 CG LYS A 61 -16.150 4.842 -24.550 1.00 1.34 C ATOM 943 CD LYS A 61 -17.049 4.372 -25.694 1.00 73.43 C ATOM 944 CE LYS A 61 -18.466 4.080 -25.194 1.00 64.24 C ATOM 945 NZ LYS A 61 -19.448 4.945 -25.885 1.00 4.41 N ATOM 0 H LYS A 61 -14.930 5.200 -22.591 1.00 65.35 H new ATOM 0 HA LYS A 61 -13.279 5.826 -24.947 1.00 33.33 H new ATOM 0 HB2 LYS A 61 -15.953 6.984 -24.709 1.00 22.03 H new ATOM 0 HB3 LYS A 61 -15.204 6.101 -26.025 1.00 22.03 H new ATOM 0 HG2 LYS A 61 -15.456 4.047 -24.278 1.00 1.34 H new ATOM 0 HG3 LYS A 61 -16.756 5.051 -23.669 1.00 1.34 H new ATOM 0 HD2 LYS A 61 -17.084 5.136 -26.471 1.00 73.43 H new ATOM 0 HD3 LYS A 61 -16.627 3.475 -26.147 1.00 73.43 H new ATOM 0 HE2 LYS A 61 -18.710 3.032 -25.367 1.00 64.24 H new ATOM 0 HE3 LYS A 61 -18.520 4.246 -24.118 1.00 64.24 H new ATOM 0 HZ1 LYS A 61 -20.345 4.431 -25.997 1.00 4.41 H new ATOM 0 HZ2 LYS A 61 -19.610 5.805 -25.322 1.00 4.41 H new ATOM 0 HZ3 LYS A 61 -19.080 5.208 -26.821 1.00 4.41 H new ATOM 958 N GLY A 62 -12.990 8.280 -24.700 1.00 0.43 N ATOM 959 CA GLY A 62 -12.551 9.637 -24.421 1.00 11.20 C ATOM 960 C GLY A 62 -11.562 9.665 -23.254 1.00 33.23 C ATOM 961 O GLY A 62 -11.281 10.726 -22.699 1.00 64.01 O ATOM 0 H GLY A 62 -12.771 7.945 -25.638 1.00 0.43 H new ATOM 0 HA2 GLY A 62 -12.083 10.061 -25.309 1.00 11.20 H new ATOM 0 HA3 GLY A 62 -13.413 10.261 -24.186 1.00 11.20 H new ATOM 965 N TYR A 63 -11.062 8.485 -22.915 1.00 54.43 N ATOM 966 CA TYR A 63 -10.111 8.361 -21.824 1.00 71.00 C ATOM 967 C TYR A 63 -8.688 8.660 -22.300 1.00 52.42 C ATOM 968 O TYR A 63 -8.455 8.844 -23.494 1.00 11.31 O ATOM 969 CB TYR A 63 -10.186 6.904 -21.363 1.00 60.15 C ATOM 970 CG TYR A 63 -9.176 6.544 -20.272 1.00 33.21 C ATOM 971 CD1 TYR A 63 -7.909 6.118 -20.617 1.00 14.22 C ATOM 972 CD2 TYR A 63 -9.532 6.644 -18.942 1.00 52.43 C ATOM 973 CE1 TYR A 63 -6.959 5.779 -19.589 1.00 51.23 C ATOM 974 CE2 TYR A 63 -8.582 6.305 -17.915 1.00 1.41 C ATOM 975 CZ TYR A 63 -7.342 5.890 -18.289 1.00 73.41 C ATOM 976 OH TYR A 63 -6.445 5.569 -17.319 1.00 2.42 O ATOM 0 H TYR A 63 -11.298 7.607 -23.377 1.00 54.43 H new ATOM 0 HA TYR A 63 -10.348 9.065 -21.026 1.00 71.00 H new ATOM 0 HB2 TYR A 63 -11.191 6.702 -20.994 1.00 60.15 H new ATOM 0 HB3 TYR A 63 -10.025 6.253 -22.222 1.00 60.15 H new ATOM 0 HD1 TYR A 63 -7.630 6.039 -21.657 1.00 14.22 H new ATOM 0 HD2 TYR A 63 -10.523 6.977 -18.672 1.00 52.43 H new ATOM 0 HE1 TYR A 63 -5.965 5.444 -19.845 1.00 51.23 H new ATOM 0 HE2 TYR A 63 -8.848 6.379 -16.871 1.00 1.41 H new ATOM 0 HH TYR A 63 -6.603 6.127 -16.529 1.00 2.42 H new ATOM 986 N ALA A 64 -7.774 8.700 -21.342 1.00 41.22 N ATOM 987 CA ALA A 64 -6.380 8.974 -21.649 1.00 12.13 C ATOM 988 C ALA A 64 -5.654 9.393 -20.369 1.00 22.21 C ATOM 989 O ALA A 64 -6.285 9.819 -19.403 1.00 55.25 O ATOM 990 CB ALA A 64 -6.298 10.042 -22.742 1.00 20.34 C ATOM 0 H ALA A 64 -7.971 8.547 -20.353 1.00 41.22 H new ATOM 0 HA ALA A 64 -5.888 8.079 -22.030 1.00 12.13 H new ATOM 0 HB1 ALA A 64 -5.253 10.247 -22.972 1.00 20.34 H new ATOM 0 HB2 ALA A 64 -6.804 9.684 -23.639 1.00 20.34 H new ATOM 0 HB3 ALA A 64 -6.779 10.956 -22.394 1.00 20.34 H new ATOM 996 N PRO A 65 -4.301 9.253 -20.404 1.00 35.15 N ATOM 997 CA PRO A 65 -3.482 9.612 -19.258 1.00 74.43 C ATOM 998 C PRO A 65 -3.357 11.131 -19.129 1.00 25.04 C ATOM 999 O PRO A 65 -4.149 11.875 -19.705 1.00 63.42 O ATOM 1000 CB PRO A 65 -2.148 8.923 -19.498 1.00 15.43 C ATOM 1001 CG PRO A 65 -2.111 8.591 -20.980 1.00 72.34 C ATOM 1002 CD PRO A 65 -3.519 8.751 -21.530 1.00 13.34 C ATOM 0 HA PRO A 65 -3.916 9.290 -18.312 1.00 74.43 H new ATOM 0 HB2 PRO A 65 -1.318 9.573 -19.223 1.00 15.43 H new ATOM 0 HB3 PRO A 65 -2.060 8.020 -18.893 1.00 15.43 H new ATOM 0 HG2 PRO A 65 -1.420 9.253 -21.502 1.00 72.34 H new ATOM 0 HG3 PRO A 65 -1.755 7.572 -21.134 1.00 72.34 H new ATOM 0 HD2 PRO A 65 -3.540 9.447 -22.369 1.00 13.34 H new ATOM 0 HD3 PRO A 65 -3.912 7.802 -21.894 1.00 13.34 H new ATOM 1010 N ALA A 66 -2.355 11.547 -18.368 1.00 24.11 N ATOM 1011 CA ALA A 66 -2.115 12.964 -18.155 1.00 43.13 C ATOM 1012 C ALA A 66 -0.695 13.310 -18.608 1.00 4.05 C ATOM 1013 O ALA A 66 0.221 12.502 -18.461 1.00 5.43 O ATOM 1014 CB ALA A 66 -2.358 13.308 -16.685 1.00 13.25 C ATOM 0 H ALA A 66 -1.700 10.927 -17.891 1.00 24.11 H new ATOM 0 HA ALA A 66 -2.806 13.563 -18.748 1.00 43.13 H new ATOM 0 HB1 ALA A 66 -2.178 14.371 -16.526 1.00 13.25 H new ATOM 0 HB2 ALA A 66 -3.389 13.071 -16.421 1.00 13.25 H new ATOM 0 HB3 ALA A 66 -1.681 12.727 -16.059 1.00 13.25 H new TER 1020 ALA A 66