USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 691 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 GLN : amide:sc= 0.968 K(o=1.4,f=-21!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -178:sc= 0.467! (180deg=0) USER MOD Set 2.1: A 34 CYS SG : rot 51:sc= 0.445 USER MOD Set 2.2: A 59 LYS NZ :NH3+ -179:sc= 1.41! (180deg=1.33!) USER MOD Single : A 1 GLY N :NH3+ 151:sc= 1.05 (180deg=-0.497) USER MOD Single : A 2 SER OG : rot -111:sc= 0.212 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.528 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.496 K(o=0.5,f=-2.8!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 143:sc= 1.22 USER MOD Single : A 12 THR OG1 : rot 150:sc= 0.0834 USER MOD Single : A 16 THR OG1 : rot 109:sc= 1.18 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.626 K(o=0.63,f=-5.7!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 1.26 K(o=1.3,f=-0.042) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 52:sc= 1.04 USER MOD Single : A 58 THR OG1 : rot 164:sc= 1.22 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 106:sc= 1.03 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -152:sc= 0.0162 (180deg=-1.08) USER MOD Single : A 79 LYS NZ :NH3+ -172:sc= 1.69 (180deg=1.38) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 54:sc= 0.116 USER MOD Single : A 84 ASN : amide:sc= 0.114 X(o=0.11,f=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.757 -33.887 -6.560 1.00 1.72 N ATOM 2 CA GLY A 1 4.769 -34.860 -7.073 1.00 1.83 C ATOM 3 C GLY A 1 4.797 -36.114 -6.195 1.00 1.73 C ATOM 4 O GLY A 1 5.765 -36.848 -6.194 1.00 1.89 O ATOM 0 H1 GLY A 1 4.053 -32.919 -6.800 1.00 1.72 H new ATOM 0 H2 GLY A 1 2.834 -34.085 -6.996 1.00 1.72 H new ATOM 0 H3 GLY A 1 3.679 -33.979 -5.527 1.00 1.72 H new ATOM 0 HA2 GLY A 1 4.531 -35.133 -8.101 1.00 1.83 H new ATOM 0 HA3 GLY A 1 5.755 -34.396 -7.086 1.00 1.83 H new ATOM 10 N SER A 2 3.747 -36.377 -5.451 1.00 1.87 N ATOM 11 CA SER A 2 3.730 -37.589 -4.596 1.00 1.99 C ATOM 12 C SER A 2 2.967 -38.711 -5.298 1.00 1.95 C ATOM 13 O SER A 2 2.684 -38.640 -6.478 1.00 1.95 O ATOM 14 CB SER A 2 3.023 -37.177 -3.302 1.00 2.25 C ATOM 15 OG SER A 2 2.996 -38.291 -2.412 1.00 2.59 O ATOM 0 H SER A 2 2.907 -35.801 -5.405 1.00 1.87 H new ATOM 0 HA SER A 2 4.734 -37.961 -4.394 1.00 1.99 H new ATOM 0 HB2 SER A 2 3.543 -36.338 -2.839 1.00 2.25 H new ATOM 0 HB3 SER A 2 2.008 -36.843 -3.518 1.00 2.25 H new ATOM 0 HG SER A 2 2.075 -38.610 -2.315 1.00 2.59 H new ATOM 21 N MET A 3 2.633 -39.744 -4.579 1.00 2.18 N ATOM 22 CA MET A 3 1.884 -40.881 -5.192 1.00 2.38 C ATOM 23 C MET A 3 0.399 -40.523 -5.347 1.00 2.52 C ATOM 24 O MET A 3 -0.233 -40.878 -6.320 1.00 2.76 O ATOM 25 CB MET A 3 2.068 -42.041 -4.211 1.00 2.68 C ATOM 26 CG MET A 3 3.470 -42.631 -4.377 1.00 2.77 C ATOM 27 SD MET A 3 3.349 -44.224 -5.227 1.00 3.51 S ATOM 28 CE MET A 3 5.039 -44.789 -4.911 1.00 3.88 C ATOM 0 H MET A 3 2.846 -39.853 -3.588 1.00 2.18 H new ATOM 0 HA MET A 3 2.246 -41.129 -6.190 1.00 2.38 H new ATOM 0 HB2 MET A 3 1.927 -41.692 -3.188 1.00 2.68 H new ATOM 0 HB3 MET A 3 1.315 -42.808 -4.393 1.00 2.68 H new ATOM 0 HG2 MET A 3 4.100 -41.948 -4.947 1.00 2.77 H new ATOM 0 HG3 MET A 3 3.941 -42.760 -3.402 1.00 2.77 H new ATOM 0 HE1 MET A 3 5.183 -45.773 -5.358 1.00 3.88 H new ATOM 0 HE2 MET A 3 5.746 -44.084 -5.349 1.00 3.88 H new ATOM 0 HE3 MET A 3 5.207 -44.851 -3.836 1.00 3.88 H new ATOM 38 N SER A 4 -0.161 -39.826 -4.390 1.00 2.56 N ATOM 39 CA SER A 4 -1.605 -39.449 -4.476 1.00 2.85 C ATOM 40 C SER A 4 -1.769 -37.924 -4.445 1.00 2.68 C ATOM 41 O SER A 4 -2.027 -37.297 -5.453 1.00 2.61 O ATOM 42 CB SER A 4 -2.253 -40.090 -3.246 1.00 3.25 C ATOM 43 OG SER A 4 -1.610 -39.600 -2.068 1.00 3.21 O ATOM 0 H SER A 4 0.321 -39.501 -3.552 1.00 2.56 H new ATOM 0 HA SER A 4 -2.064 -39.789 -5.404 1.00 2.85 H new ATOM 0 HB2 SER A 4 -3.317 -39.857 -3.218 1.00 3.25 H new ATOM 0 HB3 SER A 4 -2.166 -41.175 -3.298 1.00 3.25 H new ATOM 0 HG SER A 4 -2.022 -40.006 -1.277 1.00 3.21 H new ATOM 49 N ILE A 5 -1.634 -37.340 -3.289 1.00 2.73 N ATOM 50 CA ILE A 5 -1.790 -35.863 -3.154 1.00 2.66 C ATOM 51 C ILE A 5 -0.415 -35.167 -3.209 1.00 2.27 C ATOM 52 O ILE A 5 0.467 -35.585 -3.935 1.00 2.02 O ATOM 53 CB ILE A 5 -2.455 -35.669 -1.782 1.00 3.07 C ATOM 54 CG1 ILE A 5 -1.452 -36.042 -0.666 1.00 3.14 C ATOM 55 CG2 ILE A 5 -3.730 -36.526 -1.689 1.00 3.51 C ATOM 56 CD1 ILE A 5 -2.094 -36.987 0.346 1.00 3.60 C ATOM 0 H ILE A 5 -1.419 -37.828 -2.419 1.00 2.73 H new ATOM 0 HA ILE A 5 -2.382 -35.429 -3.960 1.00 2.66 H new ATOM 0 HB ILE A 5 -2.741 -34.625 -1.657 1.00 3.07 H new ATOM 0 HG12 ILE A 5 -0.573 -36.514 -1.104 1.00 3.14 H new ATOM 0 HG13 ILE A 5 -1.110 -35.138 -0.161 1.00 3.14 H new ATOM 0 HG21 ILE A 5 -4.195 -36.382 -0.714 1.00 3.51 H new ATOM 0 HG22 ILE A 5 -4.428 -36.226 -2.471 1.00 3.51 H new ATOM 0 HG23 ILE A 5 -3.472 -37.577 -1.817 1.00 3.51 H new ATOM 0 HD11 ILE A 5 -1.370 -37.236 1.122 1.00 3.60 H new ATOM 0 HD12 ILE A 5 -2.959 -36.502 0.799 1.00 3.60 H new ATOM 0 HD13 ILE A 5 -2.412 -37.899 -0.159 1.00 3.60 H new ATOM 68 N MET A 6 -0.227 -34.114 -2.441 1.00 2.34 N ATOM 69 CA MET A 6 1.083 -33.386 -2.434 1.00 2.16 C ATOM 70 C MET A 6 1.519 -33.024 -3.862 1.00 1.76 C ATOM 71 O MET A 6 2.530 -33.501 -4.359 1.00 1.70 O ATOM 72 CB MET A 6 2.077 -34.355 -1.785 1.00 2.36 C ATOM 73 CG MET A 6 2.507 -33.813 -0.419 1.00 2.80 C ATOM 74 SD MET A 6 3.878 -34.805 0.222 1.00 3.55 S ATOM 75 CE MET A 6 4.014 -33.984 1.831 1.00 4.18 C ATOM 0 H MET A 6 -0.933 -33.727 -1.815 1.00 2.34 H new ATOM 0 HA MET A 6 1.021 -32.444 -1.889 1.00 2.16 H new ATOM 0 HB2 MET A 6 1.620 -35.338 -1.670 1.00 2.36 H new ATOM 0 HB3 MET A 6 2.948 -34.482 -2.427 1.00 2.36 H new ATOM 0 HG2 MET A 6 2.810 -32.770 -0.509 1.00 2.80 H new ATOM 0 HG3 MET A 6 1.668 -33.842 0.276 1.00 2.80 H new ATOM 0 HE1 MET A 6 4.816 -34.444 2.408 1.00 4.18 H new ATOM 0 HE2 MET A 6 4.234 -32.927 1.683 1.00 4.18 H new ATOM 0 HE3 MET A 6 3.073 -34.086 2.372 1.00 4.18 H new ATOM 85 N ASP A 7 0.775 -32.171 -4.522 1.00 1.60 N ATOM 86 CA ASP A 7 1.155 -31.763 -5.911 1.00 1.33 C ATOM 87 C ASP A 7 2.586 -31.201 -5.902 1.00 1.33 C ATOM 88 O ASP A 7 3.346 -31.399 -6.835 1.00 1.38 O ATOM 89 CB ASP A 7 0.133 -30.691 -6.327 1.00 1.33 C ATOM 90 CG ASP A 7 0.118 -29.534 -5.323 1.00 1.37 C ATOM 91 OD1 ASP A 7 1.003 -28.700 -5.388 1.00 1.27 O ATOM 92 OD2 ASP A 7 -0.790 -29.497 -4.512 1.00 1.64 O ATOM 0 H ASP A 7 -0.076 -31.741 -4.161 1.00 1.60 H new ATOM 0 HA ASP A 7 1.142 -32.598 -6.612 1.00 1.33 H new ATOM 0 HB2 ASP A 7 0.379 -30.314 -7.320 1.00 1.33 H new ATOM 0 HB3 ASP A 7 -0.860 -31.135 -6.392 1.00 1.33 H new ATOM 97 N HIS A 8 2.953 -30.521 -4.838 1.00 1.48 N ATOM 98 CA HIS A 8 4.326 -29.943 -4.717 1.00 1.70 C ATOM 99 C HIS A 8 4.648 -29.027 -5.907 1.00 1.61 C ATOM 100 O HIS A 8 5.791 -28.908 -6.321 1.00 1.90 O ATOM 101 CB HIS A 8 5.265 -31.152 -4.681 1.00 2.01 C ATOM 102 CG HIS A 8 6.498 -30.791 -3.905 1.00 2.47 C ATOM 103 ND1 HIS A 8 7.371 -29.807 -4.334 1.00 2.68 N ATOM 104 CD2 HIS A 8 7.010 -31.259 -2.722 1.00 2.88 C ATOM 105 CE1 HIS A 8 8.356 -29.712 -3.422 1.00 3.15 C ATOM 106 NE2 HIS A 8 8.185 -30.577 -2.418 1.00 3.28 N ATOM 0 H HIS A 8 2.346 -30.341 -4.038 1.00 1.48 H new ATOM 0 HA HIS A 8 4.428 -29.323 -3.827 1.00 1.70 H new ATOM 0 HB2 HIS A 8 4.765 -32.003 -4.219 1.00 2.01 H new ATOM 0 HB3 HIS A 8 5.532 -31.451 -5.694 1.00 2.01 H new ATOM 0 HD1 HIS A 8 7.284 -29.254 -5.187 1.00 2.68 H new ATOM 0 HD2 HIS A 8 6.569 -32.038 -2.118 1.00 2.88 H new ATOM 0 HE1 HIS A 8 9.183 -29.021 -3.493 1.00 3.15 H new ATOM 114 N SER A 9 3.655 -28.371 -6.449 1.00 1.38 N ATOM 115 CA SER A 9 3.897 -27.456 -7.598 1.00 1.50 C ATOM 116 C SER A 9 2.804 -26.370 -7.654 1.00 1.35 C ATOM 117 O SER A 9 3.093 -25.215 -7.400 1.00 1.43 O ATOM 118 CB SER A 9 3.899 -28.353 -8.842 1.00 1.64 C ATOM 119 OG SER A 9 3.730 -27.552 -10.007 1.00 1.90 O ATOM 0 H SER A 9 2.684 -28.432 -6.142 1.00 1.38 H new ATOM 0 HA SER A 9 4.842 -26.918 -7.516 1.00 1.50 H new ATOM 0 HB2 SER A 9 4.836 -28.907 -8.902 1.00 1.64 H new ATOM 0 HB3 SER A 9 3.097 -29.088 -8.774 1.00 1.64 H new ATOM 0 HG SER A 9 3.733 -28.126 -10.802 1.00 1.90 H new ATOM 125 N PRO A 10 1.577 -26.756 -7.963 1.00 1.27 N ATOM 126 CA PRO A 10 0.468 -25.762 -8.022 1.00 1.33 C ATOM 127 C PRO A 10 0.181 -25.152 -6.641 1.00 1.16 C ATOM 128 O PRO A 10 0.091 -23.946 -6.502 1.00 1.18 O ATOM 129 CB PRO A 10 -0.718 -26.574 -8.547 1.00 1.53 C ATOM 130 CG PRO A 10 -0.396 -27.986 -8.189 1.00 1.40 C ATOM 131 CD PRO A 10 1.101 -28.112 -8.285 1.00 1.28 C ATOM 0 HA PRO A 10 0.700 -24.907 -8.657 1.00 1.33 H new ATOM 0 HB2 PRO A 10 -1.653 -26.252 -8.088 1.00 1.53 H new ATOM 0 HB3 PRO A 10 -0.834 -26.455 -9.624 1.00 1.53 H new ATOM 0 HG2 PRO A 10 -0.743 -28.221 -7.183 1.00 1.40 H new ATOM 0 HG3 PRO A 10 -0.890 -28.682 -8.867 1.00 1.40 H new ATOM 0 HD2 PRO A 10 1.488 -28.851 -7.584 1.00 1.28 H new ATOM 0 HD3 PRO A 10 1.415 -28.423 -9.281 1.00 1.28 H new ATOM 139 N THR A 11 0.046 -25.960 -5.621 1.00 1.15 N ATOM 140 CA THR A 11 -0.229 -25.415 -4.258 1.00 1.22 C ATOM 141 C THR A 11 0.959 -24.571 -3.774 1.00 1.14 C ATOM 142 O THR A 11 0.792 -23.438 -3.362 1.00 1.14 O ATOM 143 CB THR A 11 -0.433 -26.647 -3.377 1.00 1.46 C ATOM 144 OG1 THR A 11 -1.659 -27.269 -3.730 1.00 1.64 O ATOM 145 CG2 THR A 11 -0.483 -26.238 -1.913 1.00 1.89 C ATOM 0 H THR A 11 0.115 -26.976 -5.674 1.00 1.15 H new ATOM 0 HA THR A 11 -1.099 -24.759 -4.236 1.00 1.22 H new ATOM 0 HB THR A 11 0.396 -27.339 -3.526 1.00 1.46 H new ATOM 0 HG1 THR A 11 -1.559 -28.242 -3.679 1.00 1.64 H new ATOM 0 HG21 THR A 11 -0.629 -27.123 -1.293 1.00 1.89 H new ATOM 0 HG22 THR A 11 0.454 -25.753 -1.639 1.00 1.89 H new ATOM 0 HG23 THR A 11 -1.310 -25.545 -1.757 1.00 1.89 H new ATOM 153 N THR A 12 2.157 -25.104 -3.840 1.00 1.20 N ATOM 154 CA THR A 12 3.358 -24.317 -3.401 1.00 1.36 C ATOM 155 C THR A 12 3.486 -23.049 -4.248 1.00 1.22 C ATOM 156 O THR A 12 3.842 -21.989 -3.757 1.00 1.28 O ATOM 157 CB THR A 12 4.565 -25.243 -3.618 1.00 1.63 C ATOM 158 OG1 THR A 12 4.284 -26.173 -4.659 1.00 1.52 O ATOM 159 CG2 THR A 12 4.865 -26.007 -2.329 1.00 2.10 C ATOM 0 H THR A 12 2.356 -26.046 -4.177 1.00 1.20 H new ATOM 0 HA THR A 12 3.285 -24.003 -2.360 1.00 1.36 H new ATOM 0 HB THR A 12 5.428 -24.639 -3.896 1.00 1.63 H new ATOM 0 HG1 THR A 12 5.116 -26.412 -5.117 1.00 1.52 H new ATOM 0 HG21 THR A 12 5.721 -26.663 -2.486 1.00 2.10 H new ATOM 0 HG22 THR A 12 5.091 -25.300 -1.531 1.00 2.10 H new ATOM 0 HG23 THR A 12 3.997 -26.604 -2.050 1.00 2.10 H new ATOM 167 N GLY A 13 3.175 -23.149 -5.514 1.00 1.17 N ATOM 168 CA GLY A 13 3.246 -21.956 -6.409 1.00 1.25 C ATOM 169 C GLY A 13 2.143 -20.977 -6.018 1.00 1.07 C ATOM 170 O GLY A 13 2.402 -19.815 -5.761 1.00 1.10 O ATOM 0 H GLY A 13 2.873 -24.011 -5.969 1.00 1.17 H new ATOM 0 HA2 GLY A 13 4.222 -21.478 -6.323 1.00 1.25 H new ATOM 0 HA3 GLY A 13 3.130 -22.258 -7.450 1.00 1.25 H new ATOM 174 N VAL A 14 0.918 -21.444 -5.949 1.00 1.00 N ATOM 175 CA VAL A 14 -0.212 -20.544 -5.548 1.00 1.03 C ATOM 176 C VAL A 14 0.097 -19.911 -4.182 1.00 0.90 C ATOM 177 O VAL A 14 -0.142 -18.739 -3.962 1.00 0.91 O ATOM 178 CB VAL A 14 -1.446 -21.457 -5.473 1.00 1.24 C ATOM 179 CG1 VAL A 14 -2.580 -20.747 -4.729 1.00 1.45 C ATOM 180 CG2 VAL A 14 -1.915 -21.799 -6.890 1.00 1.50 C ATOM 0 H VAL A 14 0.652 -22.407 -6.153 1.00 1.00 H new ATOM 0 HA VAL A 14 -0.371 -19.725 -6.249 1.00 1.03 H new ATOM 0 HB VAL A 14 -1.179 -22.369 -4.939 1.00 1.24 H new ATOM 0 HG11 VAL A 14 -3.450 -21.402 -4.681 1.00 1.45 H new ATOM 0 HG12 VAL A 14 -2.254 -20.502 -3.718 1.00 1.45 H new ATOM 0 HG13 VAL A 14 -2.844 -19.831 -5.257 1.00 1.45 H new ATOM 0 HG21 VAL A 14 -2.790 -22.447 -6.837 1.00 1.50 H new ATOM 0 HG22 VAL A 14 -2.174 -20.882 -7.419 1.00 1.50 H new ATOM 0 HG23 VAL A 14 -1.115 -22.313 -7.424 1.00 1.50 H new ATOM 190 N VAL A 15 0.654 -20.673 -3.272 1.00 0.92 N ATOM 191 CA VAL A 15 1.003 -20.103 -1.932 1.00 1.07 C ATOM 192 C VAL A 15 2.143 -19.094 -2.091 1.00 1.04 C ATOM 193 O VAL A 15 2.118 -18.015 -1.525 1.00 1.08 O ATOM 194 CB VAL A 15 1.437 -21.303 -1.073 1.00 1.36 C ATOM 195 CG1 VAL A 15 2.162 -20.819 0.188 1.00 1.69 C ATOM 196 CG2 VAL A 15 0.202 -22.108 -0.656 1.00 1.56 C ATOM 0 H VAL A 15 0.881 -21.659 -3.397 1.00 0.92 H new ATOM 0 HA VAL A 15 0.169 -19.576 -1.469 1.00 1.07 H new ATOM 0 HB VAL A 15 2.111 -21.927 -1.660 1.00 1.36 H new ATOM 0 HG11 VAL A 15 2.464 -21.678 0.787 1.00 1.69 H new ATOM 0 HG12 VAL A 15 3.045 -20.247 -0.097 1.00 1.69 H new ATOM 0 HG13 VAL A 15 1.493 -20.187 0.772 1.00 1.69 H new ATOM 0 HG21 VAL A 15 0.510 -22.958 -0.047 1.00 1.56 H new ATOM 0 HG22 VAL A 15 -0.469 -21.472 -0.078 1.00 1.56 H new ATOM 0 HG23 VAL A 15 -0.316 -22.467 -1.545 1.00 1.56 H new ATOM 206 N THR A 16 3.132 -19.435 -2.870 1.00 1.12 N ATOM 207 CA THR A 16 4.283 -18.502 -3.092 1.00 1.33 C ATOM 208 C THR A 16 3.784 -17.178 -3.673 1.00 1.19 C ATOM 209 O THR A 16 4.094 -16.114 -3.169 1.00 1.26 O ATOM 210 CB THR A 16 5.209 -19.220 -4.084 1.00 1.56 C ATOM 211 OG1 THR A 16 5.727 -20.393 -3.474 1.00 1.74 O ATOM 212 CG2 THR A 16 6.373 -18.304 -4.472 1.00 1.91 C ATOM 0 H THR A 16 3.197 -20.323 -3.367 1.00 1.12 H new ATOM 0 HA THR A 16 4.803 -18.264 -2.164 1.00 1.33 H new ATOM 0 HB THR A 16 4.642 -19.481 -4.978 1.00 1.56 H new ATOM 0 HG1 THR A 16 5.315 -21.183 -3.882 1.00 1.74 H new ATOM 0 HG21 THR A 16 7.025 -18.822 -5.176 1.00 1.91 H new ATOM 0 HG22 THR A 16 5.984 -17.398 -4.937 1.00 1.91 H new ATOM 0 HG23 THR A 16 6.940 -18.039 -3.580 1.00 1.91 H new ATOM 220 N VAL A 17 3.007 -17.233 -4.721 1.00 1.11 N ATOM 221 CA VAL A 17 2.485 -15.971 -5.324 1.00 1.17 C ATOM 222 C VAL A 17 1.510 -15.280 -4.354 1.00 0.95 C ATOM 223 O VAL A 17 1.463 -14.068 -4.288 1.00 1.01 O ATOM 224 CB VAL A 17 1.801 -16.369 -6.642 1.00 1.36 C ATOM 225 CG1 VAL A 17 2.814 -17.054 -7.566 1.00 1.63 C ATOM 226 CG2 VAL A 17 0.632 -17.326 -6.389 1.00 1.24 C ATOM 0 H VAL A 17 2.712 -18.092 -5.184 1.00 1.11 H new ATOM 0 HA VAL A 17 3.283 -15.254 -5.518 1.00 1.17 H new ATOM 0 HB VAL A 17 1.419 -15.462 -7.110 1.00 1.36 H new ATOM 0 HG11 VAL A 17 2.324 -17.334 -8.499 1.00 1.63 H new ATOM 0 HG12 VAL A 17 3.634 -16.368 -7.778 1.00 1.63 H new ATOM 0 HG13 VAL A 17 3.205 -17.947 -7.079 1.00 1.63 H new ATOM 0 HG21 VAL A 17 0.167 -17.591 -7.338 1.00 1.24 H new ATOM 0 HG22 VAL A 17 1.000 -18.229 -5.901 1.00 1.24 H new ATOM 0 HG23 VAL A 17 -0.103 -16.840 -5.747 1.00 1.24 H new ATOM 236 N ILE A 18 0.756 -16.029 -3.577 1.00 0.82 N ATOM 237 CA ILE A 18 -0.178 -15.382 -2.598 1.00 0.84 C ATOM 238 C ILE A 18 0.633 -14.715 -1.494 1.00 0.81 C ATOM 239 O ILE A 18 0.345 -13.609 -1.093 1.00 0.83 O ATOM 240 CB ILE A 18 -1.064 -16.515 -2.052 1.00 1.03 C ATOM 241 CG1 ILE A 18 -2.186 -16.823 -3.054 1.00 1.25 C ATOM 242 CG2 ILE A 18 -1.687 -16.101 -0.715 1.00 1.29 C ATOM 243 CD1 ILE A 18 -3.067 -15.583 -3.254 1.00 1.51 C ATOM 0 H ILE A 18 0.748 -17.049 -3.579 1.00 0.82 H new ATOM 0 HA ILE A 18 -0.794 -14.606 -3.052 1.00 0.84 H new ATOM 0 HB ILE A 18 -0.447 -17.401 -1.904 1.00 1.03 H new ATOM 0 HG12 ILE A 18 -1.758 -17.133 -4.007 1.00 1.25 H new ATOM 0 HG13 ILE A 18 -2.791 -17.654 -2.691 1.00 1.25 H new ATOM 0 HG21 ILE A 18 -2.312 -16.911 -0.338 1.00 1.29 H new ATOM 0 HG22 ILE A 18 -0.896 -15.888 0.004 1.00 1.29 H new ATOM 0 HG23 ILE A 18 -2.297 -15.209 -0.858 1.00 1.29 H new ATOM 0 HD11 ILE A 18 -3.860 -15.811 -3.966 1.00 1.51 H new ATOM 0 HD12 ILE A 18 -3.508 -15.293 -2.301 1.00 1.51 H new ATOM 0 HD13 ILE A 18 -2.460 -14.763 -3.637 1.00 1.51 H new ATOM 255 N VAL A 19 1.666 -15.358 -1.028 1.00 0.92 N ATOM 256 CA VAL A 19 2.518 -14.723 0.023 1.00 1.14 C ATOM 257 C VAL A 19 3.186 -13.481 -0.580 1.00 1.11 C ATOM 258 O VAL A 19 3.206 -12.425 0.022 1.00 1.14 O ATOM 259 CB VAL A 19 3.554 -15.788 0.417 1.00 1.42 C ATOM 260 CG1 VAL A 19 4.668 -15.150 1.252 1.00 1.77 C ATOM 261 CG2 VAL A 19 2.874 -16.879 1.248 1.00 1.60 C ATOM 0 H VAL A 19 1.958 -16.289 -1.325 1.00 0.92 H new ATOM 0 HA VAL A 19 1.955 -14.402 0.899 1.00 1.14 H new ATOM 0 HB VAL A 19 3.980 -16.220 -0.489 1.00 1.42 H new ATOM 0 HG11 VAL A 19 5.398 -15.911 1.527 1.00 1.77 H new ATOM 0 HG12 VAL A 19 5.159 -14.371 0.669 1.00 1.77 H new ATOM 0 HG13 VAL A 19 4.241 -14.713 2.155 1.00 1.77 H new ATOM 0 HG21 VAL A 19 3.608 -17.634 1.528 1.00 1.60 H new ATOM 0 HG22 VAL A 19 2.447 -16.437 2.148 1.00 1.60 H new ATOM 0 HG23 VAL A 19 2.082 -17.343 0.661 1.00 1.60 H new ATOM 271 N ILE A 20 3.699 -13.594 -1.785 1.00 1.15 N ATOM 272 CA ILE A 20 4.331 -12.408 -2.445 1.00 1.31 C ATOM 273 C ILE A 20 3.269 -11.326 -2.651 1.00 1.13 C ATOM 274 O ILE A 20 3.473 -10.173 -2.325 1.00 1.19 O ATOM 275 CB ILE A 20 4.869 -12.928 -3.788 1.00 1.54 C ATOM 276 CG1 ILE A 20 6.085 -13.831 -3.539 1.00 1.80 C ATOM 277 CG2 ILE A 20 5.288 -11.754 -4.682 1.00 1.82 C ATOM 278 CD1 ILE A 20 7.189 -13.042 -2.824 1.00 2.10 C ATOM 0 H ILE A 20 3.707 -14.452 -2.336 1.00 1.15 H new ATOM 0 HA ILE A 20 5.132 -11.966 -1.852 1.00 1.31 H new ATOM 0 HB ILE A 20 4.082 -13.495 -4.286 1.00 1.54 H new ATOM 0 HG12 ILE A 20 5.792 -14.690 -2.936 1.00 1.80 H new ATOM 0 HG13 ILE A 20 6.460 -14.219 -4.486 1.00 1.80 H new ATOM 0 HG21 ILE A 20 5.667 -12.136 -5.630 1.00 1.82 H new ATOM 0 HG22 ILE A 20 4.427 -11.113 -4.868 1.00 1.82 H new ATOM 0 HG23 ILE A 20 6.068 -11.178 -4.184 1.00 1.82 H new ATOM 0 HD11 ILE A 20 8.047 -13.692 -2.652 1.00 2.10 H new ATOM 0 HD12 ILE A 20 7.492 -12.197 -3.443 1.00 2.10 H new ATOM 0 HD13 ILE A 20 6.814 -12.676 -1.868 1.00 2.10 H new ATOM 290 N LEU A 21 2.126 -11.703 -3.160 1.00 1.01 N ATOM 291 CA LEU A 21 1.025 -10.711 -3.358 1.00 1.04 C ATOM 292 C LEU A 21 0.651 -10.107 -2.001 1.00 0.89 C ATOM 293 O LEU A 21 0.578 -8.901 -1.847 1.00 0.94 O ATOM 294 CB LEU A 21 -0.144 -11.508 -3.947 1.00 1.15 C ATOM 295 CG LEU A 21 0.023 -11.622 -5.463 1.00 1.45 C ATOM 296 CD1 LEU A 21 -0.852 -12.761 -5.990 1.00 1.62 C ATOM 297 CD2 LEU A 21 -0.407 -10.310 -6.123 1.00 1.75 C ATOM 0 H LEU A 21 1.906 -12.656 -3.448 1.00 1.01 H new ATOM 0 HA LEU A 21 1.306 -9.890 -4.018 1.00 1.04 H new ATOM 0 HB2 LEU A 21 -0.182 -12.501 -3.500 1.00 1.15 H new ATOM 0 HB3 LEU A 21 -1.088 -11.016 -3.711 1.00 1.15 H new ATOM 0 HG LEU A 21 1.068 -11.826 -5.697 1.00 1.45 H new ATOM 0 HD11 LEU A 21 -0.732 -12.842 -7.070 1.00 1.62 H new ATOM 0 HD12 LEU A 21 -0.551 -13.698 -5.521 1.00 1.62 H new ATOM 0 HD13 LEU A 21 -1.896 -12.556 -5.755 1.00 1.62 H new ATOM 0 HD21 LEU A 21 -0.288 -10.390 -7.204 1.00 1.75 H new ATOM 0 HD22 LEU A 21 -1.452 -10.109 -5.887 1.00 1.75 H new ATOM 0 HD23 LEU A 21 0.213 -9.495 -5.750 1.00 1.75 H new ATOM 309 N ILE A 22 0.443 -10.942 -1.005 1.00 0.82 N ATOM 310 CA ILE A 22 0.107 -10.415 0.356 1.00 0.92 C ATOM 311 C ILE A 22 1.220 -9.471 0.826 1.00 0.91 C ATOM 312 O ILE A 22 0.961 -8.399 1.340 1.00 0.96 O ATOM 313 CB ILE A 22 0.006 -11.651 1.261 1.00 1.11 C ATOM 314 CG1 ILE A 22 -1.342 -12.351 1.030 1.00 1.29 C ATOM 315 CG2 ILE A 22 0.114 -11.240 2.735 1.00 1.43 C ATOM 316 CD1 ILE A 22 -2.497 -11.431 1.448 1.00 1.58 C ATOM 0 H ILE A 22 0.492 -11.958 -1.077 1.00 0.82 H new ATOM 0 HA ILE A 22 -0.823 -9.846 0.369 1.00 0.92 H new ATOM 0 HB ILE A 22 0.822 -12.331 1.018 1.00 1.11 H new ATOM 0 HG12 ILE A 22 -1.444 -12.620 -0.021 1.00 1.29 H new ATOM 0 HG13 ILE A 22 -1.381 -13.278 1.602 1.00 1.29 H new ATOM 0 HG21 ILE A 22 0.041 -12.126 3.366 1.00 1.43 H new ATOM 0 HG22 ILE A 22 1.072 -10.750 2.907 1.00 1.43 H new ATOM 0 HG23 ILE A 22 -0.695 -10.552 2.981 1.00 1.43 H new ATOM 0 HD11 ILE A 22 -3.446 -11.939 1.279 1.00 1.58 H new ATOM 0 HD12 ILE A 22 -2.401 -11.184 2.505 1.00 1.58 H new ATOM 0 HD13 ILE A 22 -2.465 -10.516 0.857 1.00 1.58 H new ATOM 328 N ALA A 23 2.455 -9.856 0.632 1.00 0.99 N ATOM 329 CA ALA A 23 3.591 -8.976 1.045 1.00 1.17 C ATOM 330 C ALA A 23 3.556 -7.672 0.237 1.00 1.12 C ATOM 331 O ALA A 23 3.692 -6.594 0.784 1.00 1.16 O ATOM 332 CB ALA A 23 4.859 -9.780 0.739 1.00 1.42 C ATOM 0 H ALA A 23 2.727 -10.742 0.205 1.00 0.99 H new ATOM 0 HA ALA A 23 3.544 -8.699 2.098 1.00 1.17 H new ATOM 0 HB1 ALA A 23 5.736 -9.196 1.017 1.00 1.42 H new ATOM 0 HB2 ALA A 23 4.847 -10.709 1.308 1.00 1.42 H new ATOM 0 HB3 ALA A 23 4.897 -10.008 -0.326 1.00 1.42 H new ATOM 338 N ILE A 24 3.348 -7.762 -1.058 1.00 1.13 N ATOM 339 CA ILE A 24 3.274 -6.520 -1.892 1.00 1.27 C ATOM 340 C ILE A 24 2.113 -5.651 -1.392 1.00 1.11 C ATOM 341 O ILE A 24 2.253 -4.455 -1.209 1.00 1.16 O ATOM 342 CB ILE A 24 3.022 -7.010 -3.326 1.00 1.46 C ATOM 343 CG1 ILE A 24 4.322 -7.574 -3.908 1.00 1.80 C ATOM 344 CG2 ILE A 24 2.544 -5.848 -4.202 1.00 1.75 C ATOM 345 CD1 ILE A 24 3.996 -8.470 -5.104 1.00 1.82 C ATOM 0 H ILE A 24 3.227 -8.636 -1.569 1.00 1.13 H new ATOM 0 HA ILE A 24 4.180 -5.916 -1.839 1.00 1.27 H new ATOM 0 HB ILE A 24 2.256 -7.785 -3.306 1.00 1.46 H new ATOM 0 HG12 ILE A 24 4.978 -6.760 -4.217 1.00 1.80 H new ATOM 0 HG13 ILE A 24 4.857 -8.143 -3.148 1.00 1.80 H new ATOM 0 HG21 ILE A 24 2.368 -6.206 -5.217 1.00 1.75 H new ATOM 0 HG22 ILE A 24 1.618 -5.442 -3.795 1.00 1.75 H new ATOM 0 HG23 ILE A 24 3.305 -5.068 -4.219 1.00 1.75 H new ATOM 0 HD11 ILE A 24 4.920 -8.872 -5.520 1.00 1.82 H new ATOM 0 HD12 ILE A 24 3.356 -9.291 -4.780 1.00 1.82 H new ATOM 0 HD13 ILE A 24 3.479 -7.886 -5.866 1.00 1.82 H new ATOM 357 N ALA A 25 0.972 -6.253 -1.148 1.00 1.00 N ATOM 358 CA ALA A 25 -0.193 -5.471 -0.636 1.00 1.03 C ATOM 359 C ALA A 25 0.137 -4.894 0.742 1.00 0.92 C ATOM 360 O ALA A 25 -0.092 -3.728 1.006 1.00 0.98 O ATOM 361 CB ALA A 25 -1.352 -6.470 -0.551 1.00 1.14 C ATOM 0 H ALA A 25 0.800 -7.249 -1.282 1.00 1.00 H new ATOM 0 HA ALA A 25 -0.445 -4.630 -1.282 1.00 1.03 H new ATOM 0 HB1 ALA A 25 -2.243 -5.963 -0.181 1.00 1.14 H new ATOM 0 HB2 ALA A 25 -1.552 -6.880 -1.541 1.00 1.14 H new ATOM 0 HB3 ALA A 25 -1.086 -7.279 0.130 1.00 1.14 H new ATOM 367 N ALA A 26 0.701 -5.691 1.609 1.00 0.89 N ATOM 368 CA ALA A 26 1.077 -5.175 2.960 1.00 1.00 C ATOM 369 C ALA A 26 2.089 -4.038 2.790 1.00 0.96 C ATOM 370 O ALA A 26 1.975 -2.997 3.408 1.00 0.98 O ATOM 371 CB ALA A 26 1.697 -6.366 3.694 1.00 1.18 C ATOM 0 H ALA A 26 0.918 -6.674 1.443 1.00 0.89 H new ATOM 0 HA ALA A 26 0.229 -4.778 3.518 1.00 1.00 H new ATOM 0 HB1 ALA A 26 1.997 -6.060 4.696 1.00 1.18 H new ATOM 0 HB2 ALA A 26 0.965 -7.171 3.765 1.00 1.18 H new ATOM 0 HB3 ALA A 26 2.571 -6.717 3.145 1.00 1.18 H new ATOM 377 N LEU A 27 3.056 -4.220 1.925 1.00 1.03 N ATOM 378 CA LEU A 27 4.055 -3.151 1.668 1.00 1.16 C ATOM 379 C LEU A 27 3.325 -1.905 1.151 1.00 1.07 C ATOM 380 O LEU A 27 3.479 -0.819 1.682 1.00 1.07 O ATOM 381 CB LEU A 27 4.962 -3.764 0.596 1.00 1.38 C ATOM 382 CG LEU A 27 6.070 -2.799 0.169 1.00 1.69 C ATOM 383 CD1 LEU A 27 5.488 -1.664 -0.675 1.00 1.78 C ATOM 384 CD2 LEU A 27 6.779 -2.217 1.397 1.00 1.92 C ATOM 0 H LEU A 27 3.192 -5.074 1.384 1.00 1.03 H new ATOM 0 HA LEU A 27 4.621 -2.839 2.546 1.00 1.16 H new ATOM 0 HB2 LEU A 27 5.407 -4.682 0.979 1.00 1.38 H new ATOM 0 HB3 LEU A 27 4.364 -4.038 -0.273 1.00 1.38 H new ATOM 0 HG LEU A 27 6.795 -3.353 -0.427 1.00 1.69 H new ATOM 0 HD11 LEU A 27 6.287 -0.985 -0.972 1.00 1.78 H new ATOM 0 HD12 LEU A 27 5.014 -2.078 -1.565 1.00 1.78 H new ATOM 0 HD13 LEU A 27 4.747 -1.119 -0.090 1.00 1.78 H new ATOM 0 HD21 LEU A 27 7.564 -1.533 1.074 1.00 1.92 H new ATOM 0 HD22 LEU A 27 6.058 -1.678 2.012 1.00 1.92 H new ATOM 0 HD23 LEU A 27 7.220 -3.026 1.980 1.00 1.92 H new ATOM 396 N GLY A 28 2.511 -2.067 0.131 1.00 1.09 N ATOM 397 CA GLY A 28 1.741 -0.906 -0.411 1.00 1.19 C ATOM 398 C GLY A 28 0.942 -0.262 0.726 1.00 1.05 C ATOM 399 O GLY A 28 0.925 0.946 0.877 1.00 1.09 O ATOM 0 H GLY A 28 2.349 -2.954 -0.347 1.00 1.09 H new ATOM 0 HA2 GLY A 28 2.420 -0.177 -0.853 1.00 1.19 H new ATOM 0 HA3 GLY A 28 1.069 -1.237 -1.203 1.00 1.19 H new ATOM 403 N ALA A 29 0.297 -1.065 1.542 1.00 0.99 N ATOM 404 CA ALA A 29 -0.485 -0.503 2.685 1.00 1.04 C ATOM 405 C ALA A 29 0.456 0.209 3.659 1.00 0.95 C ATOM 406 O ALA A 29 0.175 1.300 4.122 1.00 1.00 O ATOM 407 CB ALA A 29 -1.150 -1.712 3.349 1.00 1.15 C ATOM 0 H ALA A 29 0.280 -2.082 1.464 1.00 0.99 H new ATOM 0 HA ALA A 29 -1.224 0.232 2.365 1.00 1.04 H new ATOM 0 HB1 ALA A 29 -1.744 -1.379 4.200 1.00 1.15 H new ATOM 0 HB2 ALA A 29 -1.797 -2.213 2.629 1.00 1.15 H new ATOM 0 HB3 ALA A 29 -0.383 -2.407 3.692 1.00 1.15 H new ATOM 413 N LEU A 30 1.576 -0.396 3.949 1.00 0.93 N ATOM 414 CA LEU A 30 2.567 0.236 4.874 1.00 1.01 C ATOM 415 C LEU A 30 3.018 1.582 4.298 1.00 0.94 C ATOM 416 O LEU A 30 3.151 2.561 5.010 1.00 0.95 O ATOM 417 CB LEU A 30 3.741 -0.748 4.940 1.00 1.19 C ATOM 418 CG LEU A 30 3.541 -1.717 6.106 1.00 1.40 C ATOM 419 CD1 LEU A 30 4.400 -2.962 5.881 1.00 1.63 C ATOM 420 CD2 LEU A 30 3.967 -1.040 7.410 1.00 1.69 C ATOM 0 H LEU A 30 1.851 -1.308 3.583 1.00 0.93 H new ATOM 0 HA LEU A 30 2.153 0.429 5.864 1.00 1.01 H new ATOM 0 HB2 LEU A 30 3.816 -1.302 4.004 1.00 1.19 H new ATOM 0 HB3 LEU A 30 4.677 -0.204 5.064 1.00 1.19 H new ATOM 0 HG LEU A 30 2.490 -2.001 6.168 1.00 1.40 H new ATOM 0 HD11 LEU A 30 4.260 -3.655 6.710 1.00 1.63 H new ATOM 0 HD12 LEU A 30 4.103 -3.445 4.950 1.00 1.63 H new ATOM 0 HD13 LEU A 30 5.450 -2.674 5.822 1.00 1.63 H new ATOM 0 HD21 LEU A 30 3.825 -1.730 8.242 1.00 1.69 H new ATOM 0 HD22 LEU A 30 5.018 -0.759 7.347 1.00 1.69 H new ATOM 0 HD23 LEU A 30 3.362 -0.148 7.571 1.00 1.69 H new ATOM 432 N ILE A 31 3.234 1.641 3.005 1.00 0.97 N ATOM 433 CA ILE A 31 3.654 2.930 2.374 1.00 1.06 C ATOM 434 C ILE A 31 2.468 3.902 2.364 1.00 1.01 C ATOM 435 O ILE A 31 2.608 5.062 2.708 1.00 1.00 O ATOM 436 CB ILE A 31 4.092 2.570 0.947 1.00 1.30 C ATOM 437 CG1 ILE A 31 5.467 1.885 0.996 1.00 1.52 C ATOM 438 CG2 ILE A 31 4.182 3.844 0.100 1.00 1.58 C ATOM 439 CD1 ILE A 31 6.040 1.744 -0.417 1.00 2.25 C ATOM 0 H ILE A 31 3.138 0.855 2.363 1.00 0.97 H new ATOM 0 HA ILE A 31 4.465 3.418 2.916 1.00 1.06 H new ATOM 0 HB ILE A 31 3.363 1.893 0.501 1.00 1.30 H new ATOM 0 HG12 ILE A 31 6.149 2.467 1.616 1.00 1.52 H new ATOM 0 HG13 ILE A 31 5.375 0.902 1.459 1.00 1.52 H new ATOM 0 HG21 ILE A 31 4.493 3.587 -0.912 1.00 1.58 H new ATOM 0 HG22 ILE A 31 3.206 4.329 0.068 1.00 1.58 H new ATOM 0 HG23 ILE A 31 4.911 4.524 0.542 1.00 1.58 H new ATOM 0 HD11 ILE A 31 7.014 1.257 -0.368 1.00 2.25 H new ATOM 0 HD12 ILE A 31 5.364 1.143 -1.025 1.00 2.25 H new ATOM 0 HD13 ILE A 31 6.150 2.731 -0.865 1.00 2.25 H new ATOM 451 N LEU A 32 1.297 3.437 1.992 1.00 1.07 N ATOM 452 CA LEU A 32 0.105 4.341 1.984 1.00 1.21 C ATOM 453 C LEU A 32 -0.135 4.893 3.398 1.00 1.11 C ATOM 454 O LEU A 32 -0.300 6.084 3.585 1.00 1.18 O ATOM 455 CB LEU A 32 -1.070 3.464 1.536 1.00 1.37 C ATOM 456 CG LEU A 32 -2.122 4.335 0.840 1.00 1.60 C ATOM 457 CD1 LEU A 32 -2.149 4.010 -0.653 1.00 2.08 C ATOM 458 CD2 LEU A 32 -3.501 4.056 1.440 1.00 1.96 C ATOM 0 H LEU A 32 1.118 2.478 1.696 1.00 1.07 H new ATOM 0 HA LEU A 32 0.237 5.196 1.321 1.00 1.21 H new ATOM 0 HB2 LEU A 32 -0.719 2.687 0.857 1.00 1.37 H new ATOM 0 HB3 LEU A 32 -1.511 2.961 2.397 1.00 1.37 H new ATOM 0 HG LEU A 32 -1.868 5.385 0.982 1.00 1.60 H new ATOM 0 HD11 LEU A 32 -2.897 4.630 -1.147 1.00 2.08 H new ATOM 0 HD12 LEU A 32 -1.169 4.210 -1.087 1.00 2.08 H new ATOM 0 HD13 LEU A 32 -2.400 2.958 -0.792 1.00 2.08 H new ATOM 0 HD21 LEU A 32 -4.246 4.677 0.943 1.00 1.96 H new ATOM 0 HD22 LEU A 32 -3.753 3.005 1.300 1.00 1.96 H new ATOM 0 HD23 LEU A 32 -3.488 4.287 2.505 1.00 1.96 H new ATOM 470 N GLY A 33 -0.135 4.031 4.394 1.00 1.04 N ATOM 471 CA GLY A 33 -0.345 4.490 5.805 1.00 1.11 C ATOM 472 C GLY A 33 0.773 5.457 6.204 1.00 0.98 C ATOM 473 O GLY A 33 0.514 6.580 6.602 1.00 1.06 O ATOM 0 H GLY A 33 0.002 3.026 4.286 1.00 1.04 H new ATOM 0 HA2 GLY A 33 -1.314 4.981 5.898 1.00 1.11 H new ATOM 0 HA3 GLY A 33 -0.356 3.633 6.479 1.00 1.11 H new ATOM 477 N CYS A 34 2.015 5.039 6.086 1.00 0.86 N ATOM 478 CA CYS A 34 3.157 5.944 6.443 1.00 0.83 C ATOM 479 C CYS A 34 2.999 7.295 5.729 1.00 0.79 C ATOM 480 O CYS A 34 3.084 8.347 6.342 1.00 0.82 O ATOM 481 CB CYS A 34 4.414 5.219 5.952 1.00 0.90 C ATOM 482 SG CYS A 34 5.880 6.176 6.410 1.00 1.15 S ATOM 0 H CYS A 34 2.286 4.112 5.758 1.00 0.86 H new ATOM 0 HA CYS A 34 3.202 6.150 7.512 1.00 0.83 H new ATOM 0 HB2 CYS A 34 4.466 4.222 6.390 1.00 0.90 H new ATOM 0 HB3 CYS A 34 4.374 5.091 4.870 1.00 0.90 H new ATOM 0 HG CYS A 34 5.832 6.463 7.677 1.00 1.15 H new ATOM 488 N TRP A 35 2.751 7.275 4.440 1.00 0.85 N ATOM 489 CA TRP A 35 2.570 8.558 3.694 1.00 1.01 C ATOM 490 C TRP A 35 1.341 9.309 4.228 1.00 1.10 C ATOM 491 O TRP A 35 1.412 10.480 4.533 1.00 1.18 O ATOM 492 CB TRP A 35 2.373 8.153 2.230 1.00 1.22 C ATOM 493 CG TRP A 35 2.211 9.382 1.390 1.00 1.47 C ATOM 494 CD1 TRP A 35 3.179 10.300 1.170 1.00 1.50 C ATOM 495 CD2 TRP A 35 1.036 9.845 0.664 1.00 1.97 C ATOM 496 NE1 TRP A 35 2.673 11.298 0.357 1.00 1.78 N ATOM 497 CE2 TRP A 35 1.357 11.061 0.018 1.00 2.12 C ATOM 498 CE3 TRP A 35 -0.265 9.334 0.504 1.00 2.48 C ATOM 499 CZ2 TRP A 35 0.422 11.746 -0.760 1.00 2.67 C ATOM 500 CZ3 TRP A 35 -1.208 10.022 -0.277 1.00 3.11 C ATOM 501 CH2 TRP A 35 -0.866 11.225 -0.907 1.00 3.18 C ATOM 0 H TRP A 35 2.667 6.429 3.876 1.00 0.85 H new ATOM 0 HA TRP A 35 3.423 9.227 3.809 1.00 1.01 H new ATOM 0 HB2 TRP A 35 3.228 7.573 1.884 1.00 1.22 H new ATOM 0 HB3 TRP A 35 1.495 7.515 2.133 1.00 1.22 H new ATOM 0 HD1 TRP A 35 4.184 10.260 1.565 1.00 1.50 H new ATOM 0 HE1 TRP A 35 3.207 12.109 0.046 1.00 1.78 H new ATOM 0 HE3 TRP A 35 -0.540 8.407 0.985 1.00 2.48 H new ATOM 0 HZ2 TRP A 35 0.692 12.672 -1.245 1.00 2.67 H new ATOM 0 HZ3 TRP A 35 -2.204 9.620 -0.393 1.00 3.11 H new ATOM 0 HH2 TRP A 35 -1.597 11.749 -1.505 1.00 3.18 H new ATOM 512 N CYS A 36 0.219 8.640 4.353 1.00 1.17 N ATOM 513 CA CYS A 36 -1.013 9.318 4.881 1.00 1.38 C ATOM 514 C CYS A 36 -0.755 9.892 6.284 1.00 1.35 C ATOM 515 O CYS A 36 -1.295 10.924 6.646 1.00 1.54 O ATOM 516 CB CYS A 36 -2.087 8.227 4.938 1.00 1.49 C ATOM 517 SG CYS A 36 -3.400 8.613 3.754 1.00 2.04 S ATOM 0 H CYS A 36 0.101 7.656 4.113 1.00 1.17 H new ATOM 0 HA CYS A 36 -1.316 10.153 4.249 1.00 1.38 H new ATOM 0 HB2 CYS A 36 -1.648 7.257 4.707 1.00 1.49 H new ATOM 0 HB3 CYS A 36 -2.499 8.159 5.945 1.00 1.49 H new ATOM 0 HG CYS A 36 -4.311 7.687 3.799 1.00 2.04 H new ATOM 523 N TYR A 37 0.062 9.236 7.073 1.00 1.19 N ATOM 524 CA TYR A 37 0.357 9.745 8.451 1.00 1.25 C ATOM 525 C TYR A 37 1.387 10.886 8.398 1.00 1.14 C ATOM 526 O TYR A 37 1.252 11.882 9.088 1.00 1.27 O ATOM 527 CB TYR A 37 0.933 8.543 9.208 1.00 1.22 C ATOM 528 CG TYR A 37 -0.092 8.015 10.187 1.00 1.40 C ATOM 529 CD1 TYR A 37 -1.041 7.077 9.769 1.00 1.66 C ATOM 530 CD2 TYR A 37 -0.094 8.467 11.511 1.00 1.74 C ATOM 531 CE1 TYR A 37 -1.989 6.587 10.678 1.00 1.99 C ATOM 532 CE2 TYR A 37 -1.041 7.975 12.418 1.00 2.10 C ATOM 533 CZ TYR A 37 -1.989 7.037 12.001 1.00 2.14 C ATOM 534 OH TYR A 37 -2.920 6.551 12.897 1.00 2.58 O ATOM 0 H TYR A 37 0.538 8.369 6.822 1.00 1.19 H new ATOM 0 HA TYR A 37 -0.534 10.146 8.934 1.00 1.25 H new ATOM 0 HB2 TYR A 37 1.215 7.760 8.504 1.00 1.22 H new ATOM 0 HB3 TYR A 37 1.839 8.836 9.739 1.00 1.22 H new ATOM 0 HD1 TYR A 37 -1.044 6.730 8.746 1.00 1.66 H new ATOM 0 HD2 TYR A 37 0.635 9.196 11.834 1.00 1.74 H new ATOM 0 HE1 TYR A 37 -2.720 5.861 10.355 1.00 1.99 H new ATOM 0 HE2 TYR A 37 -1.039 8.321 13.441 1.00 2.10 H new ATOM 0 HH TYR A 37 -2.779 6.967 13.773 1.00 2.58 H new ATOM 544 N LEU A 38 2.412 10.739 7.592 1.00 0.97 N ATOM 545 CA LEU A 38 3.473 11.797 7.491 1.00 0.94 C ATOM 546 C LEU A 38 3.092 12.901 6.488 1.00 1.09 C ATOM 547 O LEU A 38 3.267 14.075 6.757 1.00 1.22 O ATOM 548 CB LEU A 38 4.721 11.028 7.023 1.00 0.85 C ATOM 549 CG LEU A 38 5.776 11.987 6.458 1.00 0.92 C ATOM 550 CD1 LEU A 38 6.592 12.592 7.604 1.00 1.21 C ATOM 551 CD2 LEU A 38 6.708 11.207 5.530 1.00 1.19 C ATOM 0 H LEU A 38 2.562 9.926 6.995 1.00 0.97 H new ATOM 0 HA LEU A 38 3.625 12.316 8.437 1.00 0.94 H new ATOM 0 HB2 LEU A 38 5.143 10.469 7.858 1.00 0.85 H new ATOM 0 HB3 LEU A 38 4.440 10.300 6.261 1.00 0.85 H new ATOM 0 HG LEU A 38 5.284 12.788 5.906 1.00 0.92 H new ATOM 0 HD11 LEU A 38 7.340 13.273 7.198 1.00 1.21 H new ATOM 0 HD12 LEU A 38 5.929 13.140 8.273 1.00 1.21 H new ATOM 0 HD13 LEU A 38 7.089 11.795 8.157 1.00 1.21 H new ATOM 0 HD21 LEU A 38 7.462 11.880 5.123 1.00 1.19 H new ATOM 0 HD22 LEU A 38 7.197 10.411 6.091 1.00 1.19 H new ATOM 0 HD23 LEU A 38 6.130 10.774 4.714 1.00 1.19 H new ATOM 563 N ARG A 39 2.588 12.527 5.338 1.00 1.17 N ATOM 564 CA ARG A 39 2.195 13.515 4.275 1.00 1.44 C ATOM 565 C ARG A 39 3.426 14.243 3.710 1.00 1.55 C ATOM 566 O ARG A 39 3.636 14.287 2.512 1.00 1.77 O ATOM 567 CB ARG A 39 1.243 14.496 4.959 1.00 1.61 C ATOM 568 CG ARG A 39 -0.114 14.464 4.255 1.00 1.79 C ATOM 569 CD ARG A 39 -1.096 13.611 5.062 1.00 1.77 C ATOM 570 NE ARG A 39 -1.375 14.401 6.301 1.00 1.85 N ATOM 571 CZ ARG A 39 -0.743 14.130 7.406 1.00 1.70 C ATOM 572 NH1 ARG A 39 -0.740 12.925 7.869 1.00 1.64 N ATOM 573 NH2 ARG A 39 -0.104 15.065 8.033 1.00 1.74 N ATOM 0 H ARG A 39 2.427 11.553 5.082 1.00 1.17 H new ATOM 0 HA ARG A 39 1.722 13.021 3.426 1.00 1.44 H new ATOM 0 HB2 ARG A 39 1.126 14.232 6.010 1.00 1.61 H new ATOM 0 HB3 ARG A 39 1.657 15.504 4.927 1.00 1.61 H new ATOM 0 HG2 ARG A 39 -0.502 15.477 4.146 1.00 1.79 H new ATOM 0 HG3 ARG A 39 -0.003 14.056 3.250 1.00 1.79 H new ATOM 0 HD2 ARG A 39 -2.011 13.425 4.499 1.00 1.77 H new ATOM 0 HD3 ARG A 39 -0.667 12.639 5.303 1.00 1.77 H new ATOM 0 HE ARG A 39 -2.062 15.154 6.280 1.00 1.85 H new ATOM 0 HH11 ARG A 39 -1.233 12.185 7.369 1.00 1.64 H new ATOM 0 HH12 ARG A 39 -0.245 12.713 8.735 1.00 1.64 H new ATOM 0 HH21 ARG A 39 -0.096 16.015 7.661 1.00 1.74 H new ATOM 0 HH22 ARG A 39 0.391 14.852 8.899 1.00 1.74 H new ATOM 587 N LEU A 40 4.235 14.812 4.561 1.00 1.46 N ATOM 588 CA LEU A 40 5.453 15.546 4.087 1.00 1.64 C ATOM 589 C LEU A 40 6.567 14.566 3.678 1.00 1.58 C ATOM 590 O LEU A 40 7.588 14.457 4.332 1.00 1.51 O ATOM 591 CB LEU A 40 5.889 16.396 5.287 1.00 1.65 C ATOM 592 CG LEU A 40 5.094 17.703 5.314 1.00 1.89 C ATOM 593 CD1 LEU A 40 4.762 18.071 6.760 1.00 2.05 C ATOM 594 CD2 LEU A 40 5.936 18.817 4.695 1.00 2.40 C ATOM 0 H LEU A 40 4.107 14.802 5.573 1.00 1.46 H new ATOM 0 HA LEU A 40 5.246 16.152 3.205 1.00 1.64 H new ATOM 0 HB2 LEU A 40 5.729 15.843 6.213 1.00 1.65 H new ATOM 0 HB3 LEU A 40 6.956 16.610 5.224 1.00 1.65 H new ATOM 0 HG LEU A 40 4.171 17.578 4.748 1.00 1.89 H new ATOM 0 HD11 LEU A 40 4.196 19.002 6.778 1.00 2.05 H new ATOM 0 HD12 LEU A 40 4.167 17.276 7.210 1.00 2.05 H new ATOM 0 HD13 LEU A 40 5.686 18.197 7.325 1.00 2.05 H new ATOM 0 HD21 LEU A 40 5.374 19.750 4.712 1.00 2.40 H new ATOM 0 HD22 LEU A 40 6.856 18.938 5.266 1.00 2.40 H new ATOM 0 HD23 LEU A 40 6.180 18.559 3.664 1.00 2.40 H new ATOM 606 N GLN A 41 6.384 13.863 2.586 1.00 1.72 N ATOM 607 CA GLN A 41 7.436 12.895 2.122 1.00 1.82 C ATOM 608 C GLN A 41 8.711 13.632 1.657 1.00 2.08 C ATOM 609 O GLN A 41 9.744 13.023 1.463 1.00 2.31 O ATOM 610 CB GLN A 41 6.798 12.138 0.950 1.00 1.98 C ATOM 611 CG GLN A 41 6.725 13.050 -0.282 1.00 2.40 C ATOM 612 CD GLN A 41 5.363 12.909 -0.962 1.00 2.37 C ATOM 613 OE1 GLN A 41 4.331 13.002 -0.326 1.00 2.34 O ATOM 614 NE2 GLN A 41 5.314 12.689 -2.240 1.00 2.87 N ATOM 0 H GLN A 41 5.554 13.915 1.995 1.00 1.72 H new ATOM 0 HA GLN A 41 7.745 12.227 2.926 1.00 1.82 H new ATOM 0 HB2 GLN A 41 7.382 11.247 0.720 1.00 1.98 H new ATOM 0 HB3 GLN A 41 5.798 11.801 1.224 1.00 1.98 H new ATOM 0 HG2 GLN A 41 6.887 14.087 0.014 1.00 2.40 H new ATOM 0 HG3 GLN A 41 7.518 12.791 -0.983 1.00 2.40 H new ATOM 0 HE21 GLN A 41 6.177 12.610 -2.777 1.00 2.87 H new ATOM 0 HE22 GLN A 41 4.412 12.595 -2.707 1.00 2.87 H new ATOM 623 N ARG A 42 8.647 14.935 1.484 1.00 2.16 N ATOM 624 CA ARG A 42 9.856 15.703 1.039 1.00 2.43 C ATOM 625 C ARG A 42 10.888 15.709 2.167 1.00 2.16 C ATOM 626 O ARG A 42 11.979 15.187 2.033 1.00 2.35 O ATOM 627 CB ARG A 42 9.334 17.119 0.723 1.00 2.69 C ATOM 628 CG ARG A 42 10.429 18.169 0.968 1.00 2.82 C ATOM 629 CD ARG A 42 11.561 17.998 -0.053 1.00 3.20 C ATOM 630 NE ARG A 42 12.804 17.881 0.772 1.00 3.18 N ATOM 631 CZ ARG A 42 13.791 17.144 0.369 1.00 3.34 C ATOM 632 NH1 ARG A 42 14.655 17.626 -0.464 1.00 3.80 N ATOM 633 NH2 ARG A 42 13.905 15.925 0.796 1.00 3.16 N ATOM 0 H ARG A 42 7.809 15.498 1.632 1.00 2.16 H new ATOM 0 HA ARG A 42 10.349 15.272 0.168 1.00 2.43 H new ATOM 0 HB2 ARG A 42 9.003 17.167 -0.314 1.00 2.69 H new ATOM 0 HB3 ARG A 42 8.466 17.339 1.345 1.00 2.69 H new ATOM 0 HG2 ARG A 42 10.007 19.171 0.890 1.00 2.82 H new ATOM 0 HG3 ARG A 42 10.822 18.066 1.979 1.00 2.82 H new ATOM 0 HD2 ARG A 42 11.409 17.111 -0.668 1.00 3.20 H new ATOM 0 HD3 ARG A 42 11.615 18.850 -0.731 1.00 3.20 H new ATOM 0 HE ARG A 42 12.875 18.384 1.656 1.00 3.18 H new ATOM 0 HH11 ARG A 42 14.558 18.584 -0.802 1.00 3.80 H new ATOM 0 HH12 ARG A 42 15.433 17.049 -0.783 1.00 3.80 H new ATOM 0 HH21 ARG A 42 13.218 15.547 1.448 1.00 3.16 H new ATOM 0 HH22 ARG A 42 14.681 15.344 0.479 1.00 3.16 H new ATOM 647 N ILE A 43 10.536 16.270 3.282 1.00 1.84 N ATOM 648 CA ILE A 43 11.469 16.285 4.445 1.00 1.62 C ATOM 649 C ILE A 43 11.386 14.945 5.164 1.00 1.37 C ATOM 650 O ILE A 43 12.345 14.463 5.735 1.00 1.40 O ATOM 651 CB ILE A 43 10.980 17.402 5.372 1.00 1.61 C ATOM 652 CG1 ILE A 43 9.466 17.321 5.605 1.00 1.60 C ATOM 653 CG2 ILE A 43 11.307 18.754 4.759 1.00 1.98 C ATOM 654 CD1 ILE A 43 9.115 18.066 6.896 1.00 1.75 C ATOM 0 H ILE A 43 9.637 16.723 3.444 1.00 1.84 H new ATOM 0 HA ILE A 43 12.502 16.451 4.138 1.00 1.62 H new ATOM 0 HB ILE A 43 11.486 17.282 6.330 1.00 1.61 H new ATOM 0 HG12 ILE A 43 8.932 17.759 4.762 1.00 1.60 H new ATOM 0 HG13 ILE A 43 9.152 16.280 5.675 1.00 1.60 H new ATOM 0 HG21 ILE A 43 10.958 19.547 5.420 1.00 1.98 H new ATOM 0 HG22 ILE A 43 12.385 18.841 4.625 1.00 1.98 H new ATOM 0 HG23 ILE A 43 10.812 18.844 3.792 1.00 1.98 H new ATOM 0 HD11 ILE A 43 8.040 18.012 7.067 1.00 1.75 H new ATOM 0 HD12 ILE A 43 9.639 17.608 7.735 1.00 1.75 H new ATOM 0 HD13 ILE A 43 9.416 19.110 6.807 1.00 1.75 H new ATOM 666 N SER A 44 10.221 14.356 5.138 1.00 1.26 N ATOM 667 CA SER A 44 9.998 13.039 5.816 1.00 1.16 C ATOM 668 C SER A 44 10.256 13.183 7.319 1.00 1.04 C ATOM 669 O SER A 44 10.848 12.323 7.942 1.00 1.29 O ATOM 670 CB SER A 44 11.000 12.073 5.175 1.00 1.52 C ATOM 671 OG SER A 44 10.305 10.929 4.695 1.00 1.80 O ATOM 0 H SER A 44 9.399 14.736 4.669 1.00 1.26 H new ATOM 0 HA SER A 44 8.976 12.678 5.700 1.00 1.16 H new ATOM 0 HB2 SER A 44 11.525 12.565 4.356 1.00 1.52 H new ATOM 0 HB3 SER A 44 11.754 11.776 5.904 1.00 1.52 H new ATOM 0 HG SER A 44 10.942 10.309 4.282 1.00 1.80 H new ATOM 677 N GLN A 45 9.810 14.279 7.890 1.00 1.00 N ATOM 678 CA GLN A 45 10.009 14.544 9.346 1.00 1.23 C ATOM 679 C GLN A 45 11.509 14.568 9.689 1.00 1.37 C ATOM 680 O GLN A 45 12.109 15.621 9.745 1.00 1.55 O ATOM 681 CB GLN A 45 9.269 13.414 10.069 1.00 1.44 C ATOM 682 CG GLN A 45 7.858 13.888 10.436 1.00 1.72 C ATOM 683 CD GLN A 45 7.372 13.159 11.690 1.00 2.02 C ATOM 684 OE1 GLN A 45 6.558 12.267 11.609 1.00 2.27 O ATOM 685 NE2 GLN A 45 7.841 13.506 12.852 1.00 2.18 N ATOM 0 H GLN A 45 9.306 15.014 7.394 1.00 1.00 H new ATOM 0 HA GLN A 45 9.621 15.517 9.649 1.00 1.23 H new ATOM 0 HB2 GLN A 45 9.215 12.532 9.431 1.00 1.44 H new ATOM 0 HB3 GLN A 45 9.813 13.124 10.968 1.00 1.44 H new ATOM 0 HG2 GLN A 45 7.860 14.964 10.609 1.00 1.72 H new ATOM 0 HG3 GLN A 45 7.175 13.699 9.608 1.00 1.72 H new ATOM 0 HE21 GLN A 45 8.527 14.258 12.921 1.00 2.18 H new ATOM 0 HE22 GLN A 45 7.523 13.027 13.694 1.00 2.18 H new ATOM 694 N SER A 46 12.118 13.419 9.893 1.00 1.54 N ATOM 695 CA SER A 46 13.586 13.359 10.217 1.00 1.95 C ATOM 696 C SER A 46 13.974 14.392 11.287 1.00 2.14 C ATOM 697 O SER A 46 15.054 14.952 11.250 1.00 2.44 O ATOM 698 CB SER A 46 14.297 13.674 8.901 1.00 2.02 C ATOM 699 OG SER A 46 14.562 12.458 8.210 1.00 2.34 O ATOM 0 H SER A 46 11.656 12.511 9.848 1.00 1.54 H new ATOM 0 HA SER A 46 13.860 12.384 10.621 1.00 1.95 H new ATOM 0 HB2 SER A 46 13.678 14.328 8.287 1.00 2.02 H new ATOM 0 HB3 SER A 46 15.228 14.206 9.095 1.00 2.02 H new ATOM 0 HG SER A 46 15.016 12.655 7.364 1.00 2.34 H new ATOM 705 N GLU A 47 13.109 14.653 12.231 1.00 2.12 N ATOM 706 CA GLU A 47 13.439 15.653 13.285 1.00 2.47 C ATOM 707 C GLU A 47 14.345 15.033 14.355 1.00 2.82 C ATOM 708 O GLU A 47 14.497 13.827 14.435 1.00 2.87 O ATOM 709 CB GLU A 47 12.092 16.070 13.878 1.00 2.47 C ATOM 710 CG GLU A 47 11.366 16.988 12.884 1.00 2.39 C ATOM 711 CD GLU A 47 9.917 16.532 12.714 1.00 2.30 C ATOM 712 OE1 GLU A 47 9.715 15.412 12.275 1.00 2.72 O ATOM 713 OE2 GLU A 47 9.033 17.312 13.018 1.00 2.37 O ATOM 0 H GLU A 47 12.191 14.218 12.317 1.00 2.12 H new ATOM 0 HA GLU A 47 13.983 16.508 12.883 1.00 2.47 H new ATOM 0 HB2 GLU A 47 11.485 15.189 14.088 1.00 2.47 H new ATOM 0 HB3 GLU A 47 12.243 16.587 14.826 1.00 2.47 H new ATOM 0 HG2 GLU A 47 11.392 18.018 13.241 1.00 2.39 H new ATOM 0 HG3 GLU A 47 11.877 16.971 11.921 1.00 2.39 H new ATOM 720 N ASP A 48 14.949 15.850 15.174 1.00 3.17 N ATOM 721 CA ASP A 48 15.852 15.321 16.239 1.00 3.56 C ATOM 722 C ASP A 48 15.033 14.859 17.460 1.00 3.70 C ATOM 723 O ASP A 48 14.823 15.604 18.401 1.00 3.98 O ATOM 724 CB ASP A 48 16.766 16.502 16.595 1.00 3.87 C ATOM 725 CG ASP A 48 18.227 16.101 16.403 1.00 4.12 C ATOM 726 OD1 ASP A 48 18.720 15.329 17.207 1.00 4.47 O ATOM 727 OD2 ASP A 48 18.830 16.579 15.457 1.00 4.28 O ATOM 0 H ASP A 48 14.856 16.866 15.152 1.00 3.17 H new ATOM 0 HA ASP A 48 16.422 14.452 15.911 1.00 3.56 H new ATOM 0 HB2 ASP A 48 16.529 17.360 15.966 1.00 3.87 H new ATOM 0 HB3 ASP A 48 16.596 16.807 17.627 1.00 3.87 H new ATOM 732 N GLU A 49 14.567 13.634 17.449 1.00 3.66 N ATOM 733 CA GLU A 49 13.771 13.126 18.602 1.00 3.80 C ATOM 734 C GLU A 49 14.690 12.418 19.611 1.00 4.18 C ATOM 735 O GLU A 49 15.847 12.158 19.340 1.00 4.70 O ATOM 736 CB GLU A 49 12.716 12.174 17.986 1.00 3.56 C ATOM 737 CG GLU A 49 13.049 10.693 18.263 1.00 3.27 C ATOM 738 CD GLU A 49 12.010 10.096 19.220 1.00 2.67 C ATOM 739 OE1 GLU A 49 11.880 10.602 20.324 1.00 2.70 O ATOM 740 OE2 GLU A 49 11.365 9.138 18.837 1.00 2.47 O ATOM 0 H GLU A 49 14.705 12.966 16.690 1.00 3.66 H new ATOM 0 HA GLU A 49 13.282 13.923 19.161 1.00 3.80 H new ATOM 0 HB2 GLU A 49 11.733 12.408 18.394 1.00 3.56 H new ATOM 0 HB3 GLU A 49 12.662 12.339 16.910 1.00 3.56 H new ATOM 0 HG2 GLU A 49 13.060 10.132 17.328 1.00 3.27 H new ATOM 0 HG3 GLU A 49 14.046 10.610 18.696 1.00 3.27 H new ATOM 747 N GLU A 50 14.181 12.107 20.771 1.00 3.98 N ATOM 748 CA GLU A 50 15.008 11.417 21.809 1.00 4.36 C ATOM 749 C GLU A 50 15.138 9.923 21.476 1.00 4.26 C ATOM 750 O GLU A 50 16.218 9.424 21.207 1.00 4.65 O ATOM 751 CB GLU A 50 14.231 11.638 23.116 1.00 4.34 C ATOM 752 CG GLU A 50 14.689 10.640 24.191 1.00 4.56 C ATOM 753 CD GLU A 50 13.483 9.871 24.741 1.00 4.21 C ATOM 754 OE1 GLU A 50 12.672 9.419 23.946 1.00 3.79 O ATOM 755 OE2 GLU A 50 13.392 9.742 25.948 1.00 4.43 O ATOM 0 H GLU A 50 13.219 12.302 21.049 1.00 3.98 H new ATOM 0 HA GLU A 50 16.026 11.801 21.872 1.00 4.36 H new ATOM 0 HB2 GLU A 50 14.385 12.658 23.469 1.00 4.34 H new ATOM 0 HB3 GLU A 50 13.163 11.521 22.935 1.00 4.34 H new ATOM 0 HG2 GLU A 50 15.412 9.943 23.767 1.00 4.56 H new ATOM 0 HG3 GLU A 50 15.192 11.170 25.000 1.00 4.56 H new ATOM 762 N SER A 51 14.041 9.217 21.494 1.00 3.83 N ATOM 763 CA SER A 51 14.052 7.745 21.185 1.00 3.83 C ATOM 764 C SER A 51 12.635 7.168 21.272 1.00 3.34 C ATOM 765 O SER A 51 12.212 6.401 20.429 1.00 3.24 O ATOM 766 CB SER A 51 14.947 7.104 22.254 1.00 4.28 C ATOM 767 OG SER A 51 16.286 7.039 21.774 1.00 4.82 O ATOM 0 H SER A 51 13.120 9.597 21.712 1.00 3.83 H new ATOM 0 HA SER A 51 14.419 7.551 20.177 1.00 3.83 H new ATOM 0 HB2 SER A 51 14.907 7.687 23.174 1.00 4.28 H new ATOM 0 HB3 SER A 51 14.586 6.104 22.494 1.00 4.28 H new ATOM 0 HG SER A 51 16.561 7.922 21.451 1.00 4.82 H new ATOM 773 N ILE A 52 11.912 7.524 22.294 1.00 3.14 N ATOM 774 CA ILE A 52 10.523 7.007 22.470 1.00 2.74 C ATOM 775 C ILE A 52 9.520 8.171 22.629 1.00 2.44 C ATOM 776 O ILE A 52 8.371 8.050 22.252 1.00 2.14 O ATOM 777 CB ILE A 52 10.571 6.109 23.732 1.00 2.99 C ATOM 778 CG1 ILE A 52 9.199 6.105 24.421 1.00 2.76 C ATOM 779 CG2 ILE A 52 11.647 6.592 24.718 1.00 3.43 C ATOM 780 CD1 ILE A 52 9.086 7.261 25.426 1.00 2.97 C ATOM 0 H ILE A 52 12.226 8.160 23.027 1.00 3.14 H new ATOM 0 HA ILE A 52 10.184 6.442 21.602 1.00 2.74 H new ATOM 0 HB ILE A 52 10.826 5.097 23.419 1.00 2.99 H new ATOM 0 HG12 ILE A 52 8.412 6.191 23.672 1.00 2.76 H new ATOM 0 HG13 ILE A 52 9.048 5.155 24.935 1.00 2.76 H new ATOM 0 HG21 ILE A 52 11.657 5.942 25.593 1.00 3.43 H new ATOM 0 HG22 ILE A 52 12.623 6.563 24.234 1.00 3.43 H new ATOM 0 HG23 ILE A 52 11.425 7.613 25.027 1.00 3.43 H new ATOM 0 HD11 ILE A 52 8.105 7.236 25.900 1.00 2.97 H new ATOM 0 HD12 ILE A 52 9.860 7.159 26.187 1.00 2.97 H new ATOM 0 HD13 ILE A 52 9.213 8.210 24.905 1.00 2.97 H new ATOM 792 N VAL A 53 9.930 9.292 23.181 1.00 2.70 N ATOM 793 CA VAL A 53 8.970 10.442 23.346 1.00 2.69 C ATOM 794 C VAL A 53 8.402 10.881 21.987 1.00 2.33 C ATOM 795 O VAL A 53 7.258 11.280 21.891 1.00 2.30 O ATOM 796 CB VAL A 53 9.763 11.589 23.994 1.00 3.22 C ATOM 797 CG1 VAL A 53 10.371 11.117 25.315 1.00 3.59 C ATOM 798 CG2 VAL A 53 10.881 12.057 23.055 1.00 3.32 C ATOM 0 H VAL A 53 10.876 9.462 23.522 1.00 2.70 H new ATOM 0 HA VAL A 53 8.122 10.151 23.966 1.00 2.69 H new ATOM 0 HB VAL A 53 9.085 12.421 24.183 1.00 3.22 H new ATOM 0 HG11 VAL A 53 10.932 11.934 25.770 1.00 3.59 H new ATOM 0 HG12 VAL A 53 9.575 10.803 25.990 1.00 3.59 H new ATOM 0 HG13 VAL A 53 11.040 10.277 25.128 1.00 3.59 H new ATOM 0 HG21 VAL A 53 11.435 12.869 23.525 1.00 3.32 H new ATOM 0 HG22 VAL A 53 11.557 11.226 22.852 1.00 3.32 H new ATOM 0 HG23 VAL A 53 10.447 12.408 22.119 1.00 3.32 H new ATOM 808 N GLY A 54 9.186 10.810 20.939 1.00 2.19 N ATOM 809 CA GLY A 54 8.679 11.221 19.590 1.00 1.90 C ATOM 810 C GLY A 54 8.069 10.014 18.861 1.00 1.62 C ATOM 811 O GLY A 54 8.152 9.911 17.650 1.00 1.47 O ATOM 0 H GLY A 54 10.153 10.486 20.958 1.00 2.19 H new ATOM 0 HA2 GLY A 54 7.930 12.006 19.699 1.00 1.90 H new ATOM 0 HA3 GLY A 54 9.494 11.638 18.999 1.00 1.90 H new ATOM 815 N ASP A 55 7.453 9.104 19.584 1.00 1.72 N ATOM 816 CA ASP A 55 6.839 7.904 18.933 1.00 1.55 C ATOM 817 C ASP A 55 5.514 8.266 18.240 1.00 1.58 C ATOM 818 O ASP A 55 4.939 9.313 18.468 1.00 1.96 O ATOM 819 CB ASP A 55 6.596 6.913 20.079 1.00 1.71 C ATOM 820 CG ASP A 55 6.282 5.531 19.508 1.00 1.70 C ATOM 821 OD1 ASP A 55 7.178 4.935 18.931 1.00 1.66 O ATOM 822 OD2 ASP A 55 5.151 5.097 19.647 1.00 2.05 O ATOM 0 H ASP A 55 7.350 9.143 20.598 1.00 1.72 H new ATOM 0 HA ASP A 55 7.484 7.490 18.158 1.00 1.55 H new ATOM 0 HB2 ASP A 55 7.476 6.861 20.720 1.00 1.71 H new ATOM 0 HB3 ASP A 55 5.769 7.257 20.700 1.00 1.71 H new ATOM 827 N GLY A 56 5.037 7.395 17.390 1.00 1.43 N ATOM 828 CA GLY A 56 3.758 7.649 16.659 1.00 1.59 C ATOM 829 C GLY A 56 3.800 6.878 15.344 1.00 1.53 C ATOM 830 O GLY A 56 2.901 6.127 15.021 1.00 1.77 O ATOM 0 H GLY A 56 5.485 6.506 17.168 1.00 1.43 H new ATOM 0 HA2 GLY A 56 2.907 7.329 17.260 1.00 1.59 H new ATOM 0 HA3 GLY A 56 3.633 8.715 16.471 1.00 1.59 H new ATOM 834 N GLU A 57 4.862 7.044 14.600 1.00 1.35 N ATOM 835 CA GLU A 57 5.009 6.309 13.309 1.00 1.50 C ATOM 836 C GLU A 57 6.349 5.549 13.292 1.00 1.38 C ATOM 837 O GLU A 57 6.964 5.363 12.251 1.00 1.50 O ATOM 838 CB GLU A 57 4.975 7.396 12.228 1.00 1.70 C ATOM 839 CG GLU A 57 3.733 7.209 11.344 1.00 2.07 C ATOM 840 CD GLU A 57 3.988 6.117 10.302 1.00 2.26 C ATOM 841 OE1 GLU A 57 4.837 6.324 9.444 1.00 2.32 O ATOM 842 OE2 GLU A 57 3.337 5.091 10.377 1.00 2.44 O ATOM 0 H GLU A 57 5.639 7.662 14.833 1.00 1.35 H new ATOM 0 HA GLU A 57 4.225 5.568 13.153 1.00 1.50 H new ATOM 0 HB2 GLU A 57 4.958 8.383 12.691 1.00 1.70 H new ATOM 0 HB3 GLU A 57 5.878 7.345 11.619 1.00 1.70 H new ATOM 0 HG2 GLU A 57 2.875 6.941 11.961 1.00 2.07 H new ATOM 0 HG3 GLU A 57 3.487 8.147 10.846 1.00 2.07 H new ATOM 849 N THR A 58 6.809 5.114 14.440 1.00 1.28 N ATOM 850 CA THR A 58 8.106 4.371 14.521 1.00 1.34 C ATOM 851 C THR A 58 7.923 2.914 14.068 1.00 1.67 C ATOM 852 O THR A 58 8.127 1.986 14.829 1.00 2.02 O ATOM 853 CB THR A 58 8.521 4.430 16.003 1.00 1.42 C ATOM 854 OG1 THR A 58 7.921 5.554 16.634 1.00 1.45 O ATOM 855 CG2 THR A 58 10.039 4.550 16.109 1.00 1.60 C ATOM 0 H THR A 58 6.336 5.244 15.334 1.00 1.28 H new ATOM 0 HA THR A 58 8.864 4.809 13.872 1.00 1.34 H new ATOM 0 HB THR A 58 8.188 3.517 16.496 1.00 1.42 H new ATOM 0 HG1 THR A 58 7.977 5.451 17.607 1.00 1.45 H new ATOM 0 HG21 THR A 58 10.328 4.591 17.159 1.00 1.60 H new ATOM 0 HG22 THR A 58 10.506 3.685 15.638 1.00 1.60 H new ATOM 0 HG23 THR A 58 10.368 5.459 15.606 1.00 1.60 H new ATOM 863 N LYS A 59 7.546 2.706 12.832 1.00 1.76 N ATOM 864 CA LYS A 59 7.354 1.311 12.324 1.00 2.16 C ATOM 865 C LYS A 59 8.491 0.936 11.362 1.00 2.09 C ATOM 866 O LYS A 59 9.064 1.787 10.704 1.00 1.99 O ATOM 867 CB LYS A 59 5.982 1.324 11.615 1.00 2.50 C ATOM 868 CG LYS A 59 6.112 1.802 10.158 1.00 2.60 C ATOM 869 CD LYS A 59 5.926 3.321 10.091 1.00 2.40 C ATOM 870 CE LYS A 59 7.158 3.962 9.448 1.00 2.24 C ATOM 871 NZ LYS A 59 7.100 5.393 9.863 1.00 2.02 N ATOM 0 H LYS A 59 7.362 3.442 12.151 1.00 1.76 H new ATOM 0 HA LYS A 59 7.375 0.568 13.121 1.00 2.16 H new ATOM 0 HB2 LYS A 59 5.550 0.323 11.635 1.00 2.50 H new ATOM 0 HB3 LYS A 59 5.297 1.978 12.155 1.00 2.50 H new ATOM 0 HG2 LYS A 59 7.090 1.528 9.762 1.00 2.60 H new ATOM 0 HG3 LYS A 59 5.366 1.307 9.536 1.00 2.60 H new ATOM 0 HD2 LYS A 59 5.034 3.563 9.513 1.00 2.40 H new ATOM 0 HD3 LYS A 59 5.775 3.723 11.093 1.00 2.40 H new ATOM 0 HE2 LYS A 59 8.077 3.487 9.792 1.00 2.24 H new ATOM 0 HE3 LYS A 59 7.135 3.863 8.363 1.00 2.24 H new ATOM 0 HZ1 LYS A 59 7.903 5.908 9.448 1.00 2.02 H new ATOM 0 HZ2 LYS A 59 6.209 5.815 9.531 1.00 2.02 H new ATOM 0 HZ3 LYS A 59 7.147 5.456 10.900 1.00 2.02 H new ATOM 885 N GLU A 60 8.824 -0.326 11.276 1.00 2.22 N ATOM 886 CA GLU A 60 9.922 -0.747 10.353 1.00 2.18 C ATOM 887 C GLU A 60 9.367 -0.975 8.941 1.00 2.32 C ATOM 888 O GLU A 60 8.561 -1.862 8.726 1.00 2.19 O ATOM 889 CB GLU A 60 10.466 -2.052 10.940 1.00 1.78 C ATOM 890 CG GLU A 60 11.968 -2.166 10.640 1.00 2.05 C ATOM 891 CD GLU A 60 12.192 -2.467 9.157 1.00 2.05 C ATOM 892 OE1 GLU A 60 11.996 -3.604 8.768 1.00 1.79 O ATOM 893 OE2 GLU A 60 12.561 -1.557 8.433 1.00 2.49 O ATOM 0 H GLU A 60 8.385 -1.081 11.803 1.00 2.22 H new ATOM 0 HA GLU A 60 10.702 0.010 10.268 1.00 2.18 H new ATOM 0 HB2 GLU A 60 10.297 -2.076 12.017 1.00 1.78 H new ATOM 0 HB3 GLU A 60 9.934 -2.903 10.515 1.00 1.78 H new ATOM 0 HG2 GLU A 60 12.471 -1.237 10.910 1.00 2.05 H new ATOM 0 HG3 GLU A 60 12.408 -2.956 11.249 1.00 2.05 H new ATOM 900 N PRO A 61 9.817 -0.164 8.013 1.00 2.75 N ATOM 901 CA PRO A 61 9.356 -0.280 6.604 1.00 3.05 C ATOM 902 C PRO A 61 10.103 -1.402 5.853 1.00 2.74 C ATOM 903 O PRO A 61 10.320 -1.305 4.659 1.00 2.84 O ATOM 904 CB PRO A 61 9.716 1.077 6.008 1.00 3.65 C ATOM 905 CG PRO A 61 10.857 1.589 6.836 1.00 3.62 C ATOM 906 CD PRO A 61 10.781 0.930 8.190 1.00 3.15 C ATOM 0 HA PRO A 61 8.297 -0.527 6.532 1.00 3.05 H new ATOM 0 HB2 PRO A 61 10.003 0.982 4.961 1.00 3.65 H new ATOM 0 HB3 PRO A 61 8.867 1.760 6.045 1.00 3.65 H new ATOM 0 HG2 PRO A 61 11.809 1.363 6.355 1.00 3.62 H new ATOM 0 HG3 PRO A 61 10.800 2.673 6.936 1.00 3.62 H new ATOM 0 HD2 PRO A 61 11.755 0.554 8.504 1.00 3.15 H new ATOM 0 HD3 PRO A 61 10.449 1.632 8.955 1.00 3.15 H new ATOM 914 N PHE A 62 10.501 -2.454 6.534 1.00 2.40 N ATOM 915 CA PHE A 62 11.240 -3.594 5.880 1.00 2.12 C ATOM 916 C PHE A 62 12.677 -3.212 5.462 1.00 2.07 C ATOM 917 O PHE A 62 13.556 -4.054 5.433 1.00 1.96 O ATOM 918 CB PHE A 62 10.399 -3.988 4.662 1.00 2.30 C ATOM 919 CG PHE A 62 10.517 -5.474 4.439 1.00 2.18 C ATOM 920 CD1 PHE A 62 9.629 -6.349 5.070 1.00 2.43 C ATOM 921 CD2 PHE A 62 11.515 -5.977 3.602 1.00 2.34 C ATOM 922 CE1 PHE A 62 9.742 -7.728 4.866 1.00 2.59 C ATOM 923 CE2 PHE A 62 11.628 -7.355 3.396 1.00 2.47 C ATOM 924 CZ PHE A 62 10.740 -8.230 4.027 1.00 2.48 C ATOM 0 H PHE A 62 10.343 -2.575 7.534 1.00 2.40 H new ATOM 0 HA PHE A 62 11.361 -4.421 6.580 1.00 2.12 H new ATOM 0 HB2 PHE A 62 9.356 -3.714 4.821 1.00 2.30 H new ATOM 0 HB3 PHE A 62 10.740 -3.447 3.779 1.00 2.30 H new ATOM 0 HD1 PHE A 62 8.855 -5.960 5.715 1.00 2.43 H new ATOM 0 HD2 PHE A 62 12.200 -5.301 3.113 1.00 2.34 H new ATOM 0 HE1 PHE A 62 9.058 -8.405 5.357 1.00 2.59 H new ATOM 0 HE2 PHE A 62 12.401 -7.743 2.750 1.00 2.47 H new ATOM 0 HZ PHE A 62 10.825 -9.295 3.866 1.00 2.48 H new ATOM 934 N LEU A 63 12.923 -1.971 5.131 1.00 2.21 N ATOM 935 CA LEU A 63 14.299 -1.550 4.704 1.00 2.22 C ATOM 936 C LEU A 63 15.350 -1.890 5.764 1.00 2.16 C ATOM 937 O LEU A 63 16.440 -2.337 5.443 1.00 2.09 O ATOM 938 CB LEU A 63 14.215 -0.034 4.507 1.00 2.45 C ATOM 939 CG LEU A 63 13.633 0.278 3.126 1.00 2.59 C ATOM 940 CD1 LEU A 63 12.887 1.612 3.180 1.00 2.80 C ATOM 941 CD2 LEU A 63 14.774 0.374 2.110 1.00 2.84 C ATOM 0 H LEU A 63 12.229 -1.224 5.137 1.00 2.21 H new ATOM 0 HA LEU A 63 14.604 -2.072 3.797 1.00 2.22 H new ATOM 0 HB2 LEU A 63 13.591 0.409 5.283 1.00 2.45 H new ATOM 0 HB3 LEU A 63 15.206 0.410 4.603 1.00 2.45 H new ATOM 0 HG LEU A 63 12.943 -0.513 2.830 1.00 2.59 H new ATOM 0 HD11 LEU A 63 12.472 1.837 2.198 1.00 2.80 H new ATOM 0 HD12 LEU A 63 12.080 1.548 3.909 1.00 2.80 H new ATOM 0 HD13 LEU A 63 13.577 2.403 3.471 1.00 2.80 H new ATOM 0 HD21 LEU A 63 14.366 0.596 1.124 1.00 2.84 H new ATOM 0 HD22 LEU A 63 15.459 1.168 2.406 1.00 2.84 H new ATOM 0 HD23 LEU A 63 15.311 -0.574 2.075 1.00 2.84 H new ATOM 953 N LEU A 64 15.039 -1.688 7.013 1.00 2.24 N ATOM 954 CA LEU A 64 16.031 -2.004 8.082 1.00 2.27 C ATOM 955 C LEU A 64 16.355 -3.500 8.071 1.00 2.06 C ATOM 956 O LEU A 64 17.511 -3.885 8.085 1.00 2.05 O ATOM 957 CB LEU A 64 15.374 -1.587 9.398 1.00 2.41 C ATOM 958 CG LEU A 64 16.434 -0.969 10.311 1.00 2.72 C ATOM 959 CD1 LEU A 64 16.195 0.538 10.433 1.00 3.11 C ATOM 960 CD2 LEU A 64 16.357 -1.611 11.695 1.00 2.95 C ATOM 0 H LEU A 64 14.146 -1.320 7.341 1.00 2.24 H new ATOM 0 HA LEU A 64 16.974 -1.478 7.935 1.00 2.27 H new ATOM 0 HB2 LEU A 64 14.575 -0.870 9.209 1.00 2.41 H new ATOM 0 HB3 LEU A 64 14.918 -2.451 9.882 1.00 2.41 H new ATOM 0 HG LEU A 64 17.421 -1.145 9.884 1.00 2.72 H new ATOM 0 HD11 LEU A 64 16.952 0.975 11.084 1.00 3.11 H new ATOM 0 HD12 LEU A 64 16.256 0.997 9.446 1.00 3.11 H new ATOM 0 HD13 LEU A 64 15.206 0.717 10.855 1.00 3.11 H new ATOM 0 HD21 LEU A 64 17.113 -1.169 12.344 1.00 2.95 H new ATOM 0 HD22 LEU A 64 15.368 -1.440 12.121 1.00 2.95 H new ATOM 0 HD23 LEU A 64 16.534 -2.683 11.609 1.00 2.95 H new ATOM 972 N VAL A 65 15.358 -4.351 8.017 1.00 1.93 N ATOM 973 CA VAL A 65 15.650 -5.821 7.974 1.00 1.77 C ATOM 974 C VAL A 65 16.254 -6.172 6.618 1.00 1.62 C ATOM 975 O VAL A 65 17.107 -7.026 6.518 1.00 1.52 O ATOM 976 CB VAL A 65 14.320 -6.550 8.156 1.00 1.78 C ATOM 977 CG1 VAL A 65 14.587 -8.047 8.319 1.00 1.75 C ATOM 978 CG2 VAL A 65 13.595 -6.038 9.406 1.00 1.93 C ATOM 0 H VAL A 65 14.370 -4.098 8.001 1.00 1.93 H new ATOM 0 HA VAL A 65 16.355 -6.108 8.754 1.00 1.77 H new ATOM 0 HB VAL A 65 13.696 -6.367 7.281 1.00 1.78 H new ATOM 0 HG11 VAL A 65 13.641 -8.573 8.449 1.00 1.75 H new ATOM 0 HG12 VAL A 65 15.093 -8.425 7.431 1.00 1.75 H new ATOM 0 HG13 VAL A 65 15.217 -8.211 9.193 1.00 1.75 H new ATOM 0 HG21 VAL A 65 12.649 -6.568 9.521 1.00 1.93 H new ATOM 0 HG22 VAL A 65 14.217 -6.211 10.284 1.00 1.93 H new ATOM 0 HG23 VAL A 65 13.402 -4.970 9.303 1.00 1.93 H new ATOM 988 N GLN A 66 15.826 -5.504 5.575 1.00 1.66 N ATOM 989 CA GLN A 66 16.396 -5.786 4.224 1.00 1.58 C ATOM 990 C GLN A 66 17.904 -5.544 4.266 1.00 1.56 C ATOM 991 O GLN A 66 18.686 -6.400 3.920 1.00 1.44 O ATOM 992 CB GLN A 66 15.699 -4.806 3.272 1.00 1.75 C ATOM 993 CG GLN A 66 16.148 -5.071 1.826 1.00 1.78 C ATOM 994 CD GLN A 66 15.555 -6.391 1.325 1.00 1.87 C ATOM 995 OE1 GLN A 66 16.278 -7.331 1.052 1.00 1.81 O ATOM 996 NE2 GLN A 66 14.267 -6.510 1.192 1.00 2.21 N ATOM 0 H GLN A 66 15.109 -4.779 5.602 1.00 1.66 H new ATOM 0 HA GLN A 66 16.239 -6.814 3.899 1.00 1.58 H new ATOM 0 HB2 GLN A 66 14.617 -4.915 3.352 1.00 1.75 H new ATOM 0 HB3 GLN A 66 15.937 -3.780 3.554 1.00 1.75 H new ATOM 0 HG2 GLN A 66 15.828 -4.252 1.182 1.00 1.78 H new ATOM 0 HG3 GLN A 66 17.236 -5.110 1.776 1.00 1.78 H new ATOM 0 HE21 GLN A 66 13.656 -5.725 1.419 1.00 2.21 H new ATOM 0 HE22 GLN A 66 13.867 -7.388 0.860 1.00 2.21 H new ATOM 1005 N TYR A 67 18.310 -4.394 4.728 1.00 1.74 N ATOM 1006 CA TYR A 67 19.774 -4.101 4.835 1.00 1.80 C ATOM 1007 C TYR A 67 20.404 -5.026 5.878 1.00 1.72 C ATOM 1008 O TYR A 67 21.469 -5.583 5.672 1.00 1.66 O ATOM 1009 CB TYR A 67 19.866 -2.639 5.280 1.00 2.06 C ATOM 1010 CG TYR A 67 20.022 -1.755 4.064 1.00 2.57 C ATOM 1011 CD1 TYR A 67 21.296 -1.483 3.552 1.00 2.97 C ATOM 1012 CD2 TYR A 67 18.891 -1.216 3.443 1.00 2.89 C ATOM 1013 CE1 TYR A 67 21.438 -0.669 2.422 1.00 3.51 C ATOM 1014 CE2 TYR A 67 19.036 -0.401 2.311 1.00 3.46 C ATOM 1015 CZ TYR A 67 20.310 -0.129 1.803 1.00 3.71 C ATOM 1016 OH TYR A 67 20.452 0.673 0.690 1.00 4.31 O ATOM 0 H TYR A 67 17.694 -3.642 5.037 1.00 1.74 H new ATOM 0 HA TYR A 67 20.302 -4.262 3.895 1.00 1.80 H new ATOM 0 HB2 TYR A 67 18.971 -2.359 5.835 1.00 2.06 H new ATOM 0 HB3 TYR A 67 20.713 -2.504 5.953 1.00 2.06 H new ATOM 0 HD1 TYR A 67 22.170 -1.901 4.029 1.00 2.97 H new ATOM 0 HD2 TYR A 67 17.907 -1.427 3.835 1.00 2.89 H new ATOM 0 HE1 TYR A 67 22.422 -0.459 2.029 1.00 3.51 H new ATOM 0 HE2 TYR A 67 18.163 0.017 1.831 1.00 3.46 H new ATOM 0 HH TYR A 67 19.569 0.965 0.382 1.00 4.31 H new ATOM 1026 N SER A 68 19.738 -5.198 6.990 1.00 1.79 N ATOM 1027 CA SER A 68 20.261 -6.096 8.070 1.00 1.82 C ATOM 1028 C SER A 68 20.459 -7.518 7.533 1.00 1.61 C ATOM 1029 O SER A 68 21.426 -8.172 7.855 1.00 1.65 O ATOM 1030 CB SER A 68 19.194 -6.092 9.171 1.00 1.95 C ATOM 1031 OG SER A 68 19.045 -4.772 9.686 1.00 2.17 O ATOM 0 H SER A 68 18.845 -4.752 7.201 1.00 1.79 H new ATOM 0 HA SER A 68 21.226 -5.752 8.442 1.00 1.82 H new ATOM 0 HB2 SER A 68 18.244 -6.447 8.772 1.00 1.95 H new ATOM 0 HB3 SER A 68 19.479 -6.775 9.971 1.00 1.95 H new ATOM 0 HG SER A 68 18.204 -4.388 9.363 1.00 2.17 H new ATOM 1037 N ALA A 69 19.547 -8.002 6.723 1.00 1.47 N ATOM 1038 CA ALA A 69 19.693 -9.388 6.171 1.00 1.35 C ATOM 1039 C ALA A 69 20.598 -9.395 4.929 1.00 1.21 C ATOM 1040 O ALA A 69 21.465 -10.238 4.786 1.00 1.16 O ATOM 1041 CB ALA A 69 18.269 -9.819 5.809 1.00 1.40 C ATOM 0 H ALA A 69 18.712 -7.500 6.421 1.00 1.47 H new ATOM 0 HA ALA A 69 20.158 -10.065 6.888 1.00 1.35 H new ATOM 0 HB1 ALA A 69 18.288 -10.828 5.396 1.00 1.40 H new ATOM 0 HB2 ALA A 69 17.646 -9.805 6.703 1.00 1.40 H new ATOM 0 HB3 ALA A 69 17.858 -9.132 5.070 1.00 1.40 H new ATOM 1047 N LYS A 70 20.400 -8.464 4.034 1.00 1.21 N ATOM 1048 CA LYS A 70 21.238 -8.408 2.787 1.00 1.18 C ATOM 1049 C LYS A 70 22.714 -8.194 3.124 1.00 1.14 C ATOM 1050 O LYS A 70 23.579 -8.847 2.575 1.00 1.06 O ATOM 1051 CB LYS A 70 20.713 -7.217 1.981 1.00 1.38 C ATOM 1052 CG LYS A 70 19.294 -7.502 1.488 1.00 1.52 C ATOM 1053 CD LYS A 70 19.327 -8.550 0.371 1.00 1.72 C ATOM 1054 CE LYS A 70 18.482 -9.762 0.778 1.00 1.85 C ATOM 1055 NZ LYS A 70 17.104 -9.452 0.291 1.00 1.89 N ATOM 0 H LYS A 70 19.692 -7.734 4.108 1.00 1.21 H new ATOM 0 HA LYS A 70 21.169 -9.343 2.231 1.00 1.18 H new ATOM 0 HB2 LYS A 70 20.718 -6.319 2.599 1.00 1.38 H new ATOM 0 HB3 LYS A 70 21.369 -7.024 1.132 1.00 1.38 H new ATOM 0 HG2 LYS A 70 18.678 -7.858 2.314 1.00 1.52 H new ATOM 0 HG3 LYS A 70 18.836 -6.583 1.122 1.00 1.52 H new ATOM 0 HD2 LYS A 70 18.944 -8.121 -0.555 1.00 1.72 H new ATOM 0 HD3 LYS A 70 20.354 -8.859 0.178 1.00 1.72 H new ATOM 0 HE2 LYS A 70 18.863 -10.678 0.327 1.00 1.85 H new ATOM 0 HE3 LYS A 70 18.496 -9.908 1.858 1.00 1.85 H new ATOM 0 HZ1 LYS A 70 16.459 -10.221 0.562 1.00 1.89 H new ATOM 0 HZ2 LYS A 70 16.778 -8.560 0.716 1.00 1.89 H new ATOM 0 HZ3 LYS A 70 17.115 -9.358 -0.745 1.00 1.89 H new ATOM 1069 N GLY A 71 22.994 -7.275 4.009 1.00 1.28 N ATOM 1070 CA GLY A 71 24.417 -6.977 4.401 1.00 1.38 C ATOM 1071 C GLY A 71 25.211 -8.277 4.589 1.00 1.24 C ATOM 1072 O GLY A 71 26.132 -8.547 3.839 1.00 1.18 O ATOM 0 H GLY A 71 22.294 -6.707 4.487 1.00 1.28 H new ATOM 0 HA2 GLY A 71 24.890 -6.364 3.634 1.00 1.38 H new ATOM 0 HA3 GLY A 71 24.432 -6.399 5.325 1.00 1.38 H new ATOM 1076 N PRO A 72 24.821 -9.052 5.575 1.00 1.26 N ATOM 1077 CA PRO A 72 25.506 -10.344 5.846 1.00 1.23 C ATOM 1078 C PRO A 72 25.293 -11.318 4.681 1.00 1.01 C ATOM 1079 O PRO A 72 26.198 -12.031 4.299 1.00 0.97 O ATOM 1080 CB PRO A 72 24.847 -10.839 7.134 1.00 1.44 C ATOM 1081 CG PRO A 72 23.517 -10.164 7.157 1.00 1.44 C ATOM 1082 CD PRO A 72 23.721 -8.816 6.519 1.00 1.40 C ATOM 0 HA PRO A 72 26.587 -10.249 5.951 1.00 1.23 H new ATOM 0 HB2 PRO A 72 24.741 -11.924 7.134 1.00 1.44 H new ATOM 0 HB3 PRO A 72 25.440 -10.576 8.010 1.00 1.44 H new ATOM 0 HG2 PRO A 72 22.775 -10.746 6.610 1.00 1.44 H new ATOM 0 HG3 PRO A 72 23.150 -10.060 8.178 1.00 1.44 H new ATOM 0 HD2 PRO A 72 22.821 -8.472 6.010 1.00 1.40 H new ATOM 0 HD3 PRO A 72 23.980 -8.057 7.257 1.00 1.40 H new ATOM 1090 N CYS A 73 24.117 -11.342 4.091 1.00 0.97 N ATOM 1091 CA CYS A 73 23.889 -12.265 2.932 1.00 0.92 C ATOM 1092 C CYS A 73 24.830 -11.889 1.784 1.00 0.84 C ATOM 1093 O CYS A 73 25.489 -12.733 1.202 1.00 0.85 O ATOM 1094 CB CYS A 73 22.426 -12.074 2.520 1.00 1.05 C ATOM 1095 SG CYS A 73 21.695 -13.682 2.130 1.00 1.45 S ATOM 0 H CYS A 73 23.316 -10.770 4.359 1.00 0.97 H new ATOM 0 HA CYS A 73 24.088 -13.305 3.191 1.00 0.92 H new ATOM 0 HB2 CYS A 73 21.870 -11.595 3.326 1.00 1.05 H new ATOM 0 HB3 CYS A 73 22.364 -11.415 1.654 1.00 1.05 H new ATOM 0 HG CYS A 73 20.453 -13.521 1.782 1.00 1.45 H new ATOM 1101 N VAL A 74 24.918 -10.623 1.479 1.00 0.88 N ATOM 1102 CA VAL A 74 25.837 -10.170 0.390 1.00 0.97 C ATOM 1103 C VAL A 74 27.280 -10.376 0.840 1.00 0.89 C ATOM 1104 O VAL A 74 28.101 -10.902 0.111 1.00 0.90 O ATOM 1105 CB VAL A 74 25.522 -8.681 0.172 1.00 1.19 C ATOM 1106 CG1 VAL A 74 26.612 -8.033 -0.686 1.00 1.41 C ATOM 1107 CG2 VAL A 74 24.179 -8.539 -0.547 1.00 1.38 C ATOM 0 H VAL A 74 24.392 -9.879 1.937 1.00 0.88 H new ATOM 0 HA VAL A 74 25.704 -10.728 -0.537 1.00 0.97 H new ATOM 0 HB VAL A 74 25.479 -8.187 1.143 1.00 1.19 H new ATOM 0 HG11 VAL A 74 26.379 -6.979 -0.834 1.00 1.41 H new ATOM 0 HG12 VAL A 74 27.574 -8.125 -0.182 1.00 1.41 H new ATOM 0 HG13 VAL A 74 26.660 -8.534 -1.653 1.00 1.41 H new ATOM 0 HG21 VAL A 74 23.958 -7.483 -0.700 1.00 1.38 H new ATOM 0 HG22 VAL A 74 24.228 -9.043 -1.512 1.00 1.38 H new ATOM 0 HG23 VAL A 74 23.393 -8.990 0.058 1.00 1.38 H new ATOM 1117 N GLU A 75 27.580 -9.992 2.052 1.00 0.94 N ATOM 1118 CA GLU A 75 28.962 -10.184 2.591 1.00 1.01 C ATOM 1119 C GLU A 75 29.340 -11.667 2.517 1.00 0.88 C ATOM 1120 O GLU A 75 30.429 -12.026 2.110 1.00 0.91 O ATOM 1121 CB GLU A 75 28.885 -9.707 4.046 1.00 1.21 C ATOM 1122 CG GLU A 75 30.291 -9.674 4.664 1.00 1.42 C ATOM 1123 CD GLU A 75 30.426 -10.771 5.722 1.00 1.46 C ATOM 1124 OE1 GLU A 75 29.678 -10.742 6.686 1.00 1.58 O ATOM 1125 OE2 GLU A 75 31.284 -11.620 5.557 1.00 1.70 O ATOM 0 H GLU A 75 26.925 -9.551 2.697 1.00 0.94 H new ATOM 0 HA GLU A 75 29.718 -9.635 2.029 1.00 1.01 H new ATOM 0 HB2 GLU A 75 28.437 -8.714 4.089 1.00 1.21 H new ATOM 0 HB3 GLU A 75 28.241 -10.372 4.622 1.00 1.21 H new ATOM 0 HG2 GLU A 75 31.042 -9.814 3.886 1.00 1.42 H new ATOM 0 HG3 GLU A 75 30.476 -8.699 5.114 1.00 1.42 H new ATOM 1132 N ARG A 76 28.427 -12.525 2.883 1.00 0.82 N ATOM 1133 CA ARG A 76 28.691 -13.995 2.824 1.00 0.87 C ATOM 1134 C ARG A 76 28.883 -14.425 1.372 1.00 0.81 C ATOM 1135 O ARG A 76 29.824 -15.118 1.040 1.00 0.89 O ATOM 1136 CB ARG A 76 27.439 -14.659 3.405 1.00 1.00 C ATOM 1137 CG ARG A 76 27.727 -15.159 4.821 1.00 1.21 C ATOM 1138 CD ARG A 76 27.869 -13.966 5.767 1.00 1.28 C ATOM 1139 NE ARG A 76 29.169 -14.190 6.462 1.00 1.43 N ATOM 1140 CZ ARG A 76 29.270 -13.981 7.737 1.00 1.67 C ATOM 1141 NH1 ARG A 76 29.497 -12.785 8.177 1.00 1.76 N ATOM 1142 NH2 ARG A 76 29.138 -14.969 8.564 1.00 2.26 N ATOM 0 H ARG A 76 27.500 -12.270 3.224 1.00 0.82 H new ATOM 0 HA ARG A 76 29.590 -14.273 3.375 1.00 0.87 H new ATOM 0 HB2 ARG A 76 26.613 -13.947 3.422 1.00 1.00 H new ATOM 0 HB3 ARG A 76 27.130 -15.491 2.772 1.00 1.00 H new ATOM 0 HG2 ARG A 76 26.921 -15.810 5.159 1.00 1.21 H new ATOM 0 HG3 ARG A 76 28.641 -15.753 4.829 1.00 1.21 H new ATOM 0 HD2 ARG A 76 27.869 -13.024 5.219 1.00 1.28 H new ATOM 0 HD3 ARG A 76 27.043 -13.922 6.476 1.00 1.28 H new ATOM 0 HE ARG A 76 29.981 -14.508 5.933 1.00 1.43 H new ATOM 0 HH11 ARG A 76 29.596 -12.010 7.521 1.00 1.76 H new ATOM 0 HH12 ARG A 76 29.577 -12.617 9.180 1.00 1.76 H new ATOM 0 HH21 ARG A 76 28.955 -15.908 8.211 1.00 2.26 H new ATOM 0 HH22 ARG A 76 29.217 -14.808 9.568 1.00 2.26 H new ATOM 1156 N LYS A 77 27.995 -14.014 0.504 1.00 0.82 N ATOM 1157 CA LYS A 77 28.122 -14.392 -0.934 1.00 0.97 C ATOM 1158 C LYS A 77 29.436 -13.858 -1.506 1.00 0.99 C ATOM 1159 O LYS A 77 30.135 -14.551 -2.226 1.00 1.14 O ATOM 1160 CB LYS A 77 26.917 -13.752 -1.630 1.00 1.08 C ATOM 1161 CG LYS A 77 25.883 -14.836 -1.944 1.00 1.29 C ATOM 1162 CD LYS A 77 25.649 -14.907 -3.457 1.00 1.68 C ATOM 1163 CE LYS A 77 26.561 -15.977 -4.080 1.00 1.73 C ATOM 1164 NZ LYS A 77 27.885 -15.304 -4.265 1.00 1.91 N ATOM 0 H LYS A 77 27.188 -13.433 0.729 1.00 0.82 H new ATOM 0 HA LYS A 77 28.135 -15.472 -1.077 1.00 0.97 H new ATOM 0 HB2 LYS A 77 26.477 -12.987 -0.991 1.00 1.08 H new ATOM 0 HB3 LYS A 77 27.233 -13.257 -2.548 1.00 1.08 H new ATOM 0 HG2 LYS A 77 26.230 -15.801 -1.575 1.00 1.29 H new ATOM 0 HG3 LYS A 77 24.946 -14.617 -1.432 1.00 1.29 H new ATOM 0 HD2 LYS A 77 24.605 -15.144 -3.661 1.00 1.68 H new ATOM 0 HD3 LYS A 77 25.851 -13.937 -3.911 1.00 1.68 H new ATOM 0 HE2 LYS A 77 26.649 -16.847 -3.429 1.00 1.73 H new ATOM 0 HE3 LYS A 77 26.162 -16.329 -5.031 1.00 1.73 H new ATOM 0 HZ1 LYS A 77 28.388 -15.742 -5.063 1.00 1.91 H new ATOM 0 HZ2 LYS A 77 27.736 -14.294 -4.462 1.00 1.91 H new ATOM 0 HZ3 LYS A 77 28.452 -15.409 -3.399 1.00 1.91 H new ATOM 1178 N ALA A 78 29.778 -12.643 -1.177 1.00 0.92 N ATOM 1179 CA ALA A 78 31.057 -12.051 -1.677 1.00 1.04 C ATOM 1180 C ALA A 78 32.243 -12.839 -1.116 1.00 1.02 C ATOM 1181 O ALA A 78 33.188 -13.140 -1.820 1.00 1.16 O ATOM 1182 CB ALA A 78 31.055 -10.609 -1.162 1.00 1.09 C ATOM 0 H ALA A 78 29.225 -12.029 -0.580 1.00 0.92 H new ATOM 0 HA ALA A 78 31.142 -12.083 -2.763 1.00 1.04 H new ATOM 0 HB1 ALA A 78 31.965 -10.105 -1.488 1.00 1.09 H new ATOM 0 HB2 ALA A 78 30.187 -10.082 -1.558 1.00 1.09 H new ATOM 0 HB3 ALA A 78 31.012 -10.612 -0.073 1.00 1.09 H new ATOM 1188 N LYS A 79 32.181 -13.195 0.139 1.00 0.92 N ATOM 1189 CA LYS A 79 33.286 -13.993 0.755 1.00 1.03 C ATOM 1190 C LYS A 79 33.301 -15.395 0.140 1.00 1.10 C ATOM 1191 O LYS A 79 34.330 -15.890 -0.271 1.00 1.25 O ATOM 1192 CB LYS A 79 32.958 -14.060 2.249 1.00 1.07 C ATOM 1193 CG LYS A 79 33.274 -12.714 2.904 1.00 1.27 C ATOM 1194 CD LYS A 79 33.982 -12.947 4.238 1.00 1.47 C ATOM 1195 CE LYS A 79 34.541 -11.617 4.743 1.00 1.98 C ATOM 1196 NZ LYS A 79 33.707 -11.271 5.930 1.00 1.89 N ATOM 0 H LYS A 79 31.411 -12.968 0.768 1.00 0.92 H new ATOM 0 HA LYS A 79 34.267 -13.550 0.586 1.00 1.03 H new ATOM 0 HB2 LYS A 79 31.906 -14.306 2.390 1.00 1.07 H new ATOM 0 HB3 LYS A 79 33.537 -14.852 2.724 1.00 1.07 H new ATOM 0 HG2 LYS A 79 33.905 -12.117 2.245 1.00 1.27 H new ATOM 0 HG3 LYS A 79 32.355 -12.150 3.062 1.00 1.27 H new ATOM 0 HD2 LYS A 79 33.286 -13.364 4.966 1.00 1.47 H new ATOM 0 HD3 LYS A 79 34.787 -13.672 4.116 1.00 1.47 H new ATOM 0 HE2 LYS A 79 35.593 -11.709 5.013 1.00 1.98 H new ATOM 0 HE3 LYS A 79 34.475 -10.845 3.976 1.00 1.98 H new ATOM 0 HZ1 LYS A 79 33.940 -10.309 6.249 1.00 1.89 H new ATOM 0 HZ2 LYS A 79 32.700 -11.316 5.672 1.00 1.89 H new ATOM 0 HZ3 LYS A 79 33.898 -11.946 6.697 1.00 1.89 H new ATOM 1210 N LEU A 80 32.156 -16.029 0.056 1.00 1.08 N ATOM 1211 CA LEU A 80 32.092 -17.390 -0.555 1.00 1.26 C ATOM 1212 C LEU A 80 32.673 -17.346 -1.971 1.00 1.37 C ATOM 1213 O LEU A 80 33.371 -18.247 -2.393 1.00 1.57 O ATOM 1214 CB LEU A 80 30.602 -17.753 -0.591 1.00 1.27 C ATOM 1215 CG LEU A 80 30.440 -19.207 -1.049 1.00 1.56 C ATOM 1216 CD1 LEU A 80 30.006 -20.072 0.133 1.00 1.84 C ATOM 1217 CD2 LEU A 80 29.377 -19.290 -2.147 1.00 1.84 C ATOM 0 H LEU A 80 31.264 -15.661 0.385 1.00 1.08 H new ATOM 0 HA LEU A 80 32.666 -18.126 0.009 1.00 1.26 H new ATOM 0 HB2 LEU A 80 30.161 -17.621 0.397 1.00 1.27 H new ATOM 0 HB3 LEU A 80 30.071 -17.086 -1.270 1.00 1.27 H new ATOM 0 HG LEU A 80 31.394 -19.565 -1.437 1.00 1.56 H new ATOM 0 HD11 LEU A 80 29.891 -21.105 -0.195 1.00 1.84 H new ATOM 0 HD12 LEU A 80 30.761 -20.022 0.917 1.00 1.84 H new ATOM 0 HD13 LEU A 80 29.055 -19.707 0.521 1.00 1.84 H new ATOM 0 HD21 LEU A 80 29.266 -20.326 -2.469 1.00 1.84 H new ATOM 0 HD22 LEU A 80 28.425 -18.926 -1.760 1.00 1.84 H new ATOM 0 HD23 LEU A 80 29.682 -18.677 -2.995 1.00 1.84 H new ATOM 1229 N MET A 81 32.397 -16.296 -2.696 1.00 1.34 N ATOM 1230 CA MET A 81 32.940 -16.172 -4.084 1.00 1.53 C ATOM 1231 C MET A 81 34.423 -15.763 -4.034 1.00 1.58 C ATOM 1232 O MET A 81 35.286 -16.476 -4.506 1.00 1.74 O ATOM 1233 CB MET A 81 32.096 -15.081 -4.754 1.00 1.58 C ATOM 1234 CG MET A 81 32.066 -15.322 -6.265 1.00 1.94 C ATOM 1235 SD MET A 81 30.420 -14.934 -6.904 1.00 2.44 S ATOM 1236 CE MET A 81 30.934 -14.524 -8.588 1.00 3.14 C ATOM 0 H MET A 81 31.817 -15.515 -2.388 1.00 1.34 H new ATOM 0 HA MET A 81 32.887 -17.112 -4.634 1.00 1.53 H new ATOM 0 HB2 MET A 81 31.083 -15.091 -4.352 1.00 1.58 H new ATOM 0 HB3 MET A 81 32.515 -14.098 -4.539 1.00 1.58 H new ATOM 0 HG2 MET A 81 32.815 -14.702 -6.758 1.00 1.94 H new ATOM 0 HG3 MET A 81 32.317 -16.360 -6.484 1.00 1.94 H new ATOM 0 HE1 MET A 81 30.060 -14.247 -9.178 1.00 3.14 H new ATOM 0 HE2 MET A 81 31.633 -13.688 -8.562 1.00 3.14 H new ATOM 0 HE3 MET A 81 31.419 -15.389 -9.041 1.00 3.14 H new ATOM 1246 N THR A 82 34.722 -14.630 -3.453 1.00 1.49 N ATOM 1247 CA THR A 82 36.147 -14.175 -3.353 1.00 1.57 C ATOM 1248 C THR A 82 36.463 -13.796 -1.898 1.00 1.48 C ATOM 1249 O THR A 82 36.337 -12.647 -1.518 1.00 1.48 O ATOM 1250 CB THR A 82 36.264 -12.947 -4.271 1.00 1.71 C ATOM 1251 OG1 THR A 82 35.138 -12.101 -4.093 1.00 1.68 O ATOM 1252 CG2 THR A 82 36.332 -13.395 -5.732 1.00 1.90 C ATOM 0 H THR A 82 34.039 -13.995 -3.040 1.00 1.49 H new ATOM 0 HA THR A 82 36.849 -14.954 -3.650 1.00 1.57 H new ATOM 0 HB THR A 82 37.172 -12.401 -4.015 1.00 1.71 H new ATOM 0 HG1 THR A 82 35.037 -11.887 -3.142 1.00 1.68 H new ATOM 0 HG21 THR A 82 36.415 -12.520 -6.377 1.00 1.90 H new ATOM 0 HG22 THR A 82 37.202 -14.036 -5.876 1.00 1.90 H new ATOM 0 HG23 THR A 82 35.428 -13.948 -5.985 1.00 1.90 H new ATOM 1260 N PRO A 83 36.850 -14.785 -1.124 1.00 1.46 N ATOM 1261 CA PRO A 83 37.168 -14.553 0.315 1.00 1.45 C ATOM 1262 C PRO A 83 38.446 -13.721 0.490 1.00 1.59 C ATOM 1263 O PRO A 83 38.588 -13.000 1.459 1.00 1.56 O ATOM 1264 CB PRO A 83 37.345 -15.966 0.871 1.00 1.50 C ATOM 1265 CG PRO A 83 37.723 -16.799 -0.311 1.00 1.60 C ATOM 1266 CD PRO A 83 37.028 -16.196 -1.503 1.00 1.54 C ATOM 0 HA PRO A 83 36.392 -13.985 0.829 1.00 1.45 H new ATOM 0 HB2 PRO A 83 38.119 -15.995 1.638 1.00 1.50 H new ATOM 0 HB3 PRO A 83 36.426 -16.328 1.332 1.00 1.50 H new ATOM 0 HG2 PRO A 83 38.804 -16.802 -0.453 1.00 1.60 H new ATOM 0 HG3 PRO A 83 37.418 -17.836 -0.168 1.00 1.60 H new ATOM 0 HD2 PRO A 83 37.627 -16.295 -2.408 1.00 1.54 H new ATOM 0 HD3 PRO A 83 36.072 -16.682 -1.698 1.00 1.54 H new ATOM 1274 N ASN A 84 39.371 -13.822 -0.437 1.00 1.81 N ATOM 1275 CA ASN A 84 40.661 -13.048 -0.360 1.00 2.01 C ATOM 1276 C ASN A 84 41.560 -13.572 0.773 1.00 2.10 C ATOM 1277 O ASN A 84 42.723 -13.855 0.564 1.00 2.34 O ATOM 1278 CB ASN A 84 40.254 -11.589 -0.107 1.00 1.93 C ATOM 1279 CG ASN A 84 41.307 -10.651 -0.697 1.00 2.15 C ATOM 1280 OD1 ASN A 84 41.385 -10.484 -1.896 1.00 2.30 O ATOM 1281 ND2 ASN A 84 42.122 -10.028 0.099 1.00 2.40 N ATOM 0 H ASN A 84 39.288 -14.419 -1.260 1.00 1.81 H new ATOM 0 HA ASN A 84 41.240 -13.151 -1.277 1.00 2.01 H new ATOM 0 HB2 ASN A 84 39.282 -11.389 -0.557 1.00 1.93 H new ATOM 0 HB3 ASN A 84 40.152 -11.410 0.963 1.00 1.93 H new ATOM 0 HD21 ASN A 84 42.827 -9.399 -0.284 1.00 2.40 H new ATOM 0 HD22 ASN A 84 42.057 -10.168 1.107 1.00 2.40 H new ATOM 1288 N GLY A 85 41.031 -13.695 1.962 1.00 1.95 N ATOM 1289 CA GLY A 85 41.852 -14.194 3.112 1.00 2.10 C ATOM 1290 C GLY A 85 42.124 -13.041 4.084 1.00 2.10 C ATOM 1291 O GLY A 85 41.329 -12.784 4.968 1.00 2.04 O ATOM 0 H GLY A 85 40.062 -13.471 2.190 1.00 1.95 H new ATOM 0 HA2 GLY A 85 41.327 -15.000 3.625 1.00 2.10 H new ATOM 0 HA3 GLY A 85 42.793 -14.607 2.749 1.00 2.10 H new ATOM 1295 N PRO A 86 43.237 -12.375 3.886 1.00 2.29 N ATOM 1296 CA PRO A 86 43.599 -11.233 4.759 1.00 2.37 C ATOM 1297 C PRO A 86 42.818 -9.974 4.341 1.00 2.32 C ATOM 1298 O PRO A 86 41.746 -10.071 3.767 1.00 2.23 O ATOM 1299 CB PRO A 86 45.101 -11.075 4.529 1.00 2.69 C ATOM 1300 CG PRO A 86 45.362 -11.649 3.169 1.00 2.80 C ATOM 1301 CD PRO A 86 44.250 -12.619 2.851 1.00 2.54 C ATOM 0 HA PRO A 86 43.358 -11.390 5.810 1.00 2.37 H new ATOM 0 HB2 PRO A 86 45.397 -10.027 4.576 1.00 2.69 H new ATOM 0 HB3 PRO A 86 45.672 -11.602 5.293 1.00 2.69 H new ATOM 0 HG2 PRO A 86 45.401 -10.856 2.422 1.00 2.80 H new ATOM 0 HG3 PRO A 86 46.327 -12.155 3.148 1.00 2.80 H new ATOM 0 HD2 PRO A 86 43.847 -12.446 1.853 1.00 2.54 H new ATOM 0 HD3 PRO A 86 44.604 -13.650 2.878 1.00 2.54 H new ATOM 1309 N GLU A 87 43.333 -8.800 4.648 1.00 2.46 N ATOM 1310 CA GLU A 87 42.640 -7.512 4.310 1.00 2.57 C ATOM 1311 C GLU A 87 41.332 -7.399 5.104 1.00 2.44 C ATOM 1312 O GLU A 87 41.120 -6.460 5.845 1.00 2.58 O ATOM 1313 CB GLU A 87 42.392 -7.557 2.802 1.00 2.67 C ATOM 1314 CG GLU A 87 43.613 -6.994 2.062 1.00 3.00 C ATOM 1315 CD GLU A 87 44.639 -8.105 1.837 1.00 3.17 C ATOM 1316 OE1 GLU A 87 44.522 -8.797 0.840 1.00 3.29 O ATOM 1317 OE2 GLU A 87 45.523 -8.245 2.665 1.00 3.36 O ATOM 0 H GLU A 87 44.224 -8.681 5.129 1.00 2.46 H new ATOM 0 HA GLU A 87 43.235 -6.637 4.572 1.00 2.57 H new ATOM 0 HB2 GLU A 87 42.203 -8.583 2.485 1.00 2.67 H new ATOM 0 HB3 GLU A 87 41.503 -6.977 2.552 1.00 2.67 H new ATOM 0 HG2 GLU A 87 43.307 -6.570 1.106 1.00 3.00 H new ATOM 0 HG3 GLU A 87 44.060 -6.185 2.641 1.00 3.00 H new ATOM 1324 N VAL A 88 40.482 -8.372 4.976 1.00 2.25 N ATOM 1325 CA VAL A 88 39.197 -8.378 5.740 1.00 2.23 C ATOM 1326 C VAL A 88 39.369 -9.196 7.028 1.00 2.19 C ATOM 1327 O VAL A 88 38.750 -8.911 8.036 1.00 2.33 O ATOM 1328 CB VAL A 88 38.167 -9.042 4.816 1.00 2.17 C ATOM 1329 CG1 VAL A 88 36.769 -8.895 5.422 1.00 2.35 C ATOM 1330 CG2 VAL A 88 38.188 -8.367 3.442 1.00 2.38 C ATOM 0 H VAL A 88 40.620 -9.178 4.367 1.00 2.25 H new ATOM 0 HA VAL A 88 38.883 -7.374 6.026 1.00 2.23 H new ATOM 0 HB VAL A 88 38.416 -10.098 4.707 1.00 2.17 H new ATOM 0 HG11 VAL A 88 36.037 -9.366 4.766 1.00 2.35 H new ATOM 0 HG12 VAL A 88 36.744 -9.376 6.400 1.00 2.35 H new ATOM 0 HG13 VAL A 88 36.530 -7.837 5.532 1.00 2.35 H new ATOM 0 HG21 VAL A 88 37.455 -8.843 2.791 1.00 2.38 H new ATOM 0 HG22 VAL A 88 37.944 -7.310 3.552 1.00 2.38 H new ATOM 0 HG23 VAL A 88 39.181 -8.466 3.003 1.00 2.38 H new ATOM 1340 N HIS A 89 40.220 -10.209 7.002 1.00 2.13 N ATOM 1341 CA HIS A 89 40.461 -11.058 8.216 1.00 2.25 C ATOM 1342 C HIS A 89 39.138 -11.533 8.853 1.00 2.38 C ATOM 1343 O HIS A 89 38.958 -11.470 10.053 1.00 2.65 O ATOM 1344 CB HIS A 89 41.246 -10.152 9.173 1.00 2.39 C ATOM 1345 CG HIS A 89 42.679 -10.065 8.721 1.00 2.36 C ATOM 1346 ND1 HIS A 89 43.196 -8.931 8.114 1.00 2.33 N ATOM 1347 CD2 HIS A 89 43.715 -10.961 8.780 1.00 2.87 C ATOM 1348 CE1 HIS A 89 44.490 -9.175 7.835 1.00 2.56 C ATOM 1349 NE2 HIS A 89 44.858 -10.397 8.220 1.00 2.84 N ATOM 0 H HIS A 89 40.760 -10.481 6.181 1.00 2.13 H new ATOM 0 HA HIS A 89 41.005 -11.970 7.971 1.00 2.25 H new ATOM 0 HB2 HIS A 89 40.800 -9.158 9.197 1.00 2.39 H new ATOM 0 HB3 HIS A 89 41.197 -10.548 10.187 1.00 2.39 H new ATOM 0 HD2 HIS A 89 43.654 -11.955 9.198 1.00 2.87 H new ATOM 0 HE1 HIS A 89 45.150 -8.466 7.357 1.00 2.56 H new ATOM 0 HE2 HIS A 89 45.778 -10.826 8.125 1.00 2.84 H new ATOM 1357 N GLY A 90 38.218 -12.024 8.055 1.00 2.29 N ATOM 1358 CA GLY A 90 36.915 -12.514 8.610 1.00 2.54 C ATOM 1359 C GLY A 90 35.973 -12.912 7.470 1.00 2.25 C ATOM 1360 O GLY A 90 34.775 -12.737 7.632 1.00 2.29 O ATOM 1361 OXT GLY A 90 36.458 -13.381 6.452 1.00 2.36 O ATOM 0 H GLY A 90 38.314 -12.106 7.043 1.00 2.29 H new ATOM 0 HA2 GLY A 90 37.088 -13.369 9.264 1.00 2.54 H new ATOM 0 HA3 GLY A 90 36.454 -11.735 9.218 1.00 2.54 H new TER 1365 GLY A 90